HEADER GLYCOPROTEIN 18-FEB-00 1DZ7 TITLE SOLUTION STRUCTURE OF THE A-SUBUNIT OF HUMAN CHORIONIC TITLE 2 GONADOTROPIN [MODELED WITHOUT CARBOHYDRATE RESIDUES] 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 WOMEN KEYWDS CHORIONIC GONADOTROPIN, CHORIONIC GONADOTROPIN FREE A KEYWDS 2 SUBUNIT, GLYCOPROTEIN STRUCTURE, CYSTINE KNOT, NMR, XPLOR EXPDTA NMR, 27 STRUCTURES AUTHOR P.J.A.ERBEL,Y.KARIMI-NEJAD,T.DE BEER,R.BOELENS, AUTHOR 2 J.P.KAMERLING,J.F.G.VLIEGENTHART REVDAT 3 01-APR-03 1DZ7 1 JRNL REVDAT 2 22-APR-00 1DZ7 1 ATOM DBREF SEQRES REVDAT 1 29-FEB-00 1DZ7 0 JRNL AUTH P.J.ERBEL,Y.KARIMI-NEJAD,T.DE BEER,R.BOELENS, JRNL AUTH 2 J.P.KAMERLING,J.F.VLIEGENTHART JRNL TITL SOLUTION STRUCTURE OF THE ALPHA-SUBUNIT OF HUMAN JRNL TITL 2 CHORIONIC GONADOTROPIN. JRNL REF EUR.J.BIOCHEM. V. 260 490 1999 JRNL REFN ASTM EJBCAI IX ISSN 0014-2956 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: SPECIAL REFINEMENT PROCEDURE TO REMARK 3 OPTIMIZE CONVERGENCE RATE OF THE CYSTINE KNOT FORMATION REMARK 4 REMARK 4 1DZ7 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-4634 . 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 : 90% WATER/10% D2O 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 : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 27 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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 6 GLN A 13 CA - C - N ANGL. DEV. = -4.9 DEGREES REMARK 500 12 LEU A 26 CA - CB - CG ANGL. DEV. = -5.2 DEGREES REMARK 500 15 LEU A 26 CA - C - N ANGL. DEV. = -4.9 DEGREES REMARK 500 15 GLU A 77 N - CA - C ANGL. DEV. = -5.2 DEGREES REMARK 500 16 GLU A 77 N - CA - C ANGL. DEV. = -5.5 DEGREES REMARK 500 20 ASN A 66 CA - C - N ANGL. DEV. = -4.9 DEGREES REMARK 500 23 LEU A 26 CA - C - N ANGL. DEV. = -5.0 DEGREES REMARK 500 23 GLU A 77 N - CA - C ANGL. DEV. = -4.9 DEGREES REMARK 500 24 LEU A 26 CA - CB - CG ANGL. DEV. = -4.9 DEGREES REMARK 500 26 GLU A 77 N - CA - C ANGL. DEV. = -5.4 DEGREES REMARK 500 27 LEU A 26 N - CA - CB ANGL. DEV. = -5.2 DEGREES REMARK 500 27 LEU A 26 CA - CB - CG ANGL. DEV. = -5.2 DEGREES DBREF 1DZ7 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 HELIX 1 1 VAL A 70 PHE A 74 5 5 SHEET 1 A 2 CYS A 59 CYS A 60 0 SHEET 2 A 2 CYS A 84 SER A 85 -1 N SER A 85 O CYS A 59 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 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 -4.977 24.422 -6.373 1.00 0.00 N ATOM 2 CA ALA A 1 -6.414 24.068 -6.500 1.00 0.00 C ATOM 3 C ALA A 1 -6.979 23.604 -5.162 1.00 0.00 C ATOM 4 O ALA A 1 -7.794 24.290 -4.547 1.00 0.00 O ATOM 5 CB ALA A 1 -6.598 22.989 -7.556 1.00 0.00 C ATOM 6 HA ALA A 1 -6.954 24.947 -6.821 1.00 0.00 H ATOM 7 HB1 ALA A 1 -6.967 23.435 -8.467 1.00 0.00 H ATOM 8 HB2 ALA A 1 -7.308 22.256 -7.201 1.00 0.00 H ATOM 9 HB3 ALA A 1 -5.651 22.508 -7.749 1.00 0.00 H ATOM 10 H1 ALA A 1 -4.680 24.199 -5.402 1.00 0.00 H ATOM 11 H2 ALA A 1 -4.449 23.853 -7.067 1.00 0.00 H ATOM 12 H3 ALA A 1 -4.881 25.438 -6.570 1.00 0.00 H ATOM 13 N PRO A 2 -6.543 22.426 -4.698 1.00 0.00 N ATOM 14 CA PRO A 2 -6.997 21.851 -3.426 1.00 0.00 C ATOM 15 C PRO A 2 -6.521 22.656 -2.219 1.00 0.00 C ATOM 16 O PRO A 2 -5.422 23.209 -2.224 1.00 0.00 O ATOM 17 CB PRO A 2 -6.360 20.459 -3.417 1.00 0.00 C ATOM 18 CG PRO A 2 -5.182 20.570 -4.323 1.00 0.00 C ATOM 19 CD PRO A 2 -5.570 21.560 -5.383 1.00 0.00 C ATOM 20 HA PRO A 2 -8.072 21.759 -3.395 1.00 0.00 H ATOM 21 HB2 PRO A 2 -6.060 20.205 -2.410 1.00 0.00 H ATOM 22 HB3 PRO A 2 -7.070 19.731 -3.781 1.00 0.00 H ATOM 23 HG2 PRO A 2 -4.326 20.929 -3.770 1.00 0.00 H ATOM 24 HG3 PRO A 2 -4.967 19.610 -4.768 1.00 0.00 H ATOM 25 HD2 PRO A 2 -4.709 22.128 -5.704 1.00 0.00 H ATOM 26 HD3 PRO A 2 -6.027 21.056 -6.223 1.00 0.00 H ATOM 27 N ASP A 3 -7.356 22.710 -1.184 1.00 0.00 N ATOM 28 CA ASP A 3 -7.020 23.440 0.035 1.00 0.00 C ATOM 29 C ASP A 3 -6.880 22.484 1.216 1.00 0.00 C ATOM 30 O ASP A 3 -6.607 22.905 2.341 1.00 0.00 O ATOM 31 CB ASP A 3 -8.092 24.487 0.338 1.00 0.00 C ATOM 32 CG ASP A 3 -9.485 23.890 0.373 1.00 0.00 C ATOM 33 OD1 ASP A 3 -9.988 23.495 -0.700 1.00 0.00 O ATOM 34 OD2 ASP A 3 -10.072 23.815 1.473 1.00 0.00 O ATOM 35 H ASP A 3 -8.216 22.245 -1.239 1.00 0.00 H ATOM 36 HA ASP A 3 -6.076 23.939 -0.125 1.00 0.00 H ATOM 37 HB2 ASP A 3 -7.888 24.934 1.300 1.00 0.00 H ATOM 38 HB3 ASP A 3 -8.066 25.252 -0.424 1.00 0.00 H ATOM 39 N VAL A 4 -7.069 21.195 0.952 1.00 0.00 N ATOM 40 CA VAL A 4 -6.964 20.176 1.988 1.00 0.00 C ATOM 41 C VAL A 4 -6.745 18.798 1.373 1.00 0.00 C ATOM 42 O VAL A 4 -7.567 18.318 0.593 1.00 0.00 O ATOM 43 CB VAL A 4 -8.227 20.138 2.871 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.345 19.373 2.180 1.00 0.00 C ATOM 45 CG2 VAL A 4 -7.912 19.525 4.227 1.00 0.00 C ATOM 46 H VAL A 4 -7.283 20.923 0.036 1.00 0.00 H ATOM 47 HA VAL A 4 -6.119 20.420 2.613 1.00 0.00 H ATOM 48 HB VAL A 4 -8.561 21.153 3.029 1.00 0.00 H ATOM 49 HG11 VAL A 4 -9.515 19.791 1.199 1.00 0.00 H ATOM 50 HG12 VAL A 4 -9.066 18.334 2.085 1.00 0.00 H ATOM 51 HG13 VAL A 4 -10.249 19.450 2.766 1.00 0.00 H ATOM 52 HG21 VAL A 4 -7.152 20.114 4.720 1.00 0.00 H ATOM 53 HG22 VAL A 4 -8.806 19.511 4.832 1.00 0.00 H ATOM 54 HG23 VAL A 4 -7.553 18.515 4.092 1.00 0.00 H ATOM 55 N GLN A 5 -5.630 18.166 1.724 1.00 0.00 N ATOM 56 CA GLN A 5 -5.308 16.845 1.199 1.00 0.00 C ATOM 57 C GLN A 5 -4.691 15.958 2.276 1.00 0.00 C ATOM 58 O GLN A 5 -3.704 16.329 2.910 1.00 0.00 O ATOM 59 CB GLN A 5 -4.352 16.966 0.011 1.00 0.00 C ATOM 60 CG GLN A 5 -3.977 15.629 -0.604 1.00 0.00 C ATOM 61 CD GLN A 5 -3.966 15.667 -2.120 1.00 0.00 C ATOM 62 OE1 GLN A 5 -3.496 16.631 -2.725 1.00 0.00 O ATOM 63 NE2 GLN A 5 -4.490 14.617 -2.742 1.00 0.00 N ATOM 64 H GLN A 5 -5.010 18.599 2.347 1.00 0.00 H ATOM 65 HA GLN A 5 -6.228 16.391 0.861 1.00 0.00 H ATOM 66 HB2 GLN A 5 -4.820 17.570 -0.753 1.00 0.00 H ATOM 67 HB3 GLN A 5 -3.447 17.455 0.339 1.00 0.00 H ATOM 68 HG2 GLN A 5 -2.992 15.352 -0.260 1.00 0.00 H ATOM 69 HG3 GLN A 5 -4.692 14.887 -0.282 1.00 0.00 H ATOM 70 HE21 GLN A 5 -4.850 13.888 -2.196 1.00 0.00 H ATOM 71 HE22 GLN A 5 -4.491 14.614 -3.722 1.00 0.00 H ATOM 72 N ASP A 6 -5.282 14.783 2.474 1.00 0.00 N ATOM 73 CA ASP A 6 -4.795 13.837 3.471 1.00 0.00 C ATOM 74 C ASP A 6 -3.516 13.154 2.993 1.00 0.00 C ATOM 75 O ASP A 6 -3.037 13.415 1.889 1.00 0.00 O ATOM 76 CB ASP A 6 -5.867 12.787 3.768 1.00 0.00 C ATOM 77 CG ASP A 6 -6.934 13.301 4.714 1.00 0.00 C ATOM 78 OD1 ASP A 6 -6.710 14.355 5.346 1.00 0.00 O ATOM 79 OD2 ASP A 6 -7.993 12.650 4.824 1.00 0.00 O ATOM 80 H ASP A 6 -6.064 14.547 1.934 1.00 0.00 H ATOM 81 HA ASP A 6 -4.581 14.386 4.375 1.00 0.00 H ATOM 82 HB2 ASP A 6 -6.343 12.498 2.843 1.00 0.00 H ATOM 83 HB3 ASP A 6 -5.401 11.921 4.214 1.00 0.00 H ATOM 84 N CYS A 7 -2.967 12.281 3.831 1.00 0.00 N ATOM 85 CA CYS A 7 -1.742 11.563 3.493 1.00 0.00 C ATOM 86 C CYS A 7 -1.862 10.889 2.129 1.00 0.00 C ATOM 87 O CYS A 7 -2.944 10.833 1.544 1.00 0.00 O ATOM 88 CB CYS A 7 -1.426 10.521 4.567 1.00 0.00 C ATOM 89 SG CYS A 7 -2.816 9.412 4.962 1.00 0.00 S ATOM 90 H CYS A 7 -3.394 12.115 4.697 1.00 0.00 H ATOM 91 HA CYS A 7 -0.938 12.282 3.454 1.00 0.00 H ATOM 92 HB2 CYS A 7 -0.604 9.908 4.233 1.00 0.00 H ATOM 93 HB3 CYS A 7 -1.142 11.030 5.476 1.00 0.00 H ATOM 94 N PRO A 8 -0.742 10.366 1.605 1.00 0.00 N ATOM 95 CA PRO A 8 -0.713 9.691 0.303 1.00 0.00 C ATOM 96 C PRO A 8 -1.785 8.613 0.183 1.00 0.00 C ATOM 97 O PRO A 8 -2.701 8.539 1.003 1.00 0.00 O ATOM 98 CB PRO A 8 0.685 9.069 0.262 1.00 0.00 C ATOM 99 CG PRO A 8 1.507 9.943 1.144 1.00 0.00 C ATOM 100 CD PRO A 8 0.587 10.394 2.243 1.00 0.00 C ATOM 101 HA PRO A 8 -0.820 10.395 -0.510 1.00 0.00 H ATOM 102 HB2 PRO A 8 0.643 8.055 0.635 1.00 0.00 H ATOM 103 HB3 PRO A 8 1.055 9.072 -0.752 1.00 0.00 H ATOM 104 HG2 PRO A 8 2.333 9.380 1.553 1.00 0.00 H ATOM 105 HG3 PRO A 8 1.869 10.793 0.586 1.00 0.00 H ATOM 106 HD2 PRO A 8 0.631 9.707 3.075 1.00 0.00 H ATOM 107 HD3 PRO A 8 0.840 11.394 2.563 1.00 0.00 H ATOM 108 N GLU A 9 -1.670 7.781 -0.847 1.00 0.00 N ATOM 109 CA GLU A 9 -2.636 6.712 -1.073 1.00 0.00 C ATOM 110 C GLU A 9 -1.953 5.347 -1.081 1.00 0.00 C ATOM 111 O GLU A 9 -0.873 5.182 -1.650 1.00 0.00 O ATOM 112 CB GLU A 9 -3.377 6.941 -2.391 1.00 0.00 C ATOM 113 CG GLU A 9 -3.980 5.676 -2.981 1.00 0.00 C ATOM 114 CD GLU A 9 -4.713 5.933 -4.284 1.00 0.00 C ATOM 115 OE1 GLU A 9 -5.795 6.556 -4.244 1.00 0.00 O ATOM 116 OE2 GLU A 9 -4.206 5.510 -5.344 1.00 0.00 O ATOM 117 H GLU A 9 -0.922 7.890 -1.470 1.00 0.00 H ATOM 118 HA GLU A 9 -3.349 6.738 -0.262 1.00 0.00 H ATOM 119 HB2 GLU A 9 -4.175 7.648 -2.223 1.00 0.00 H ATOM 120 HB3 GLU A 9 -2.687 7.356 -3.111 1.00 0.00 H ATOM 121 HG2 GLU A 9 -3.186 4.968 -3.167 1.00 0.00 H ATOM 122 HG3 GLU A 9 -4.676 5.258 -2.269 1.00 0.00 H ATOM 123 N CYS A 10 -2.596 4.373 -0.443 1.00 0.00 N ATOM 124 CA CYS A 10 -2.063 3.016 -0.367 1.00 0.00 C ATOM 125 C CYS A 10 -1.411 2.603 -1.683 1.00 0.00 C ATOM 126 O CYS A 10 -2.068 2.542 -2.723 1.00 0.00 O ATOM 127 CB CYS A 10 -3.180 2.033 -0.003 1.00 0.00 C ATOM 128 SG CYS A 10 -2.886 0.322 -0.559 1.00 0.00 S ATOM 129 H CYS A 10 -3.452 4.572 -0.010 1.00 0.00 H ATOM 130 HA CYS A 10 -1.315 2.998 0.411 1.00 0.00 H ATOM 131 HB2 CYS A 10 -3.294 2.012 1.071 1.00 0.00 H ATOM 132 HB3 CYS A 10 -4.103 2.370 -0.450 1.00 0.00 H ATOM 133 N THR A 11 -0.116 2.314 -1.626 1.00 0.00 N ATOM 134 CA THR A 11 0.635 1.898 -2.803 1.00 0.00 C ATOM 135 C THR A 11 2.120 1.874 -2.502 1.00 0.00 C ATOM 136 O THR A 11 2.530 1.978 -1.348 1.00 0.00 O ATOM 137 CB THR A 11 0.374 2.838 -3.977 1.00 0.00 C ATOM 138 OG1 THR A 11 1.179 2.484 -5.088 1.00 0.00 O ATOM 139 CG2 THR A 11 0.656 4.289 -3.651 1.00 0.00 C ATOM 140 H THR A 11 0.351 2.379 -0.765 1.00 0.00 H ATOM 141 HA THR A 11 0.316 0.902 -3.070 1.00 0.00 H ATOM 142 HB THR A 11 -0.660 2.755 -4.269 1.00 0.00 H ATOM 143 HG1 THR A 11 1.186 3.203 -5.723 1.00 0.00 H ATOM 144 HG21 THR A 11 0.861 4.387 -2.595 1.00 0.00 H ATOM 145 HG22 THR A 11 1.514 4.625 -4.215 1.00 0.00 H ATOM 146 HG23 THR A 11 -0.203 4.892 -3.909 1.00 0.00 H ATOM 147 N LEU A 12 2.920 1.741 -3.547 1.00 0.00 N ATOM 148 CA LEU A 12 4.362 1.706 -3.391 1.00 0.00 C ATOM 149 C LEU A 12 4.965 3.085 -3.529 1.00 0.00 C ATOM 150 O LEU A 12 4.661 3.824 -4.466 1.00 0.00 O ATOM 151 CB LEU A 12 4.990 0.779 -4.414 1.00 0.00 C ATOM 152 CG LEU A 12 4.820 -0.700 -4.112 1.00 0.00 C ATOM 153 CD1 LEU A 12 3.400 -0.977 -3.658 1.00 0.00 C ATOM 154 CD2 LEU A 12 5.175 -1.516 -5.341 1.00 0.00 C ATOM 155 H LEU A 12 2.532 1.666 -4.444 1.00 0.00 H ATOM 156 HA LEU A 12 4.580 1.333 -2.405 1.00 0.00 H ATOM 157 HB2 LEU A 12 4.546 0.984 -5.378 1.00 0.00 H ATOM 158 HB3 LEU A 12 6.046 0.994 -4.468 1.00 0.00 H ATOM 159 HG LEU A 12 5.486 -0.980 -3.305 1.00 0.00 H ATOM 160 HD11 LEU A 12 2.705 -0.552 -4.367 1.00 0.00 H ATOM 161 HD12 LEU A 12 3.244 -2.042 -3.591 1.00 0.00 H ATOM 162 HD13 LEU A 12 3.243 -0.528 -2.689 1.00 0.00 H ATOM 163 HD21 LEU A 12 4.744 -1.052 -6.216 1.00 0.00 H ATOM 164 HD22 LEU A 12 6.249 -1.551 -5.447 1.00 0.00 H ATOM 165 HD23 LEU A 12 4.789 -2.517 -5.236 1.00 0.00 H ATOM 166 N GLN A 13 5.832 3.418 -2.595 1.00 0.00 N ATOM 167 CA GLN A 13 6.496 4.704 -2.615 1.00 0.00 C ATOM 168 C GLN A 13 7.825 4.596 -3.312 1.00 0.00 C ATOM 169 O GLN A 13 8.843 5.098 -2.837 1.00 0.00 O ATOM 170 CB GLN A 13 6.690 5.220 -1.216 1.00 0.00 C ATOM 171 CG GLN A 13 5.393 5.655 -0.570 1.00 0.00 C ATOM 172 CD GLN A 13 5.527 6.940 0.221 1.00 0.00 C ATOM 173 OE1 GLN A 13 6.464 7.110 1.001 1.00 0.00 O ATOM 174 NE2 GLN A 13 4.584 7.853 0.022 1.00 0.00 N ATOM 175 H GLN A 13 6.037 2.777 -1.879 1.00 0.00 H ATOM 176 HA GLN A 13 5.873 5.381 -3.161 1.00 0.00 H ATOM 177 HB2 GLN A 13 7.129 4.433 -0.624 1.00 0.00 H ATOM 178 HB3 GLN A 13 7.361 6.061 -1.253 1.00 0.00 H ATOM 179 HG2 GLN A 13 4.659 5.804 -1.350 1.00 0.00 H ATOM 180 HG3 GLN A 13 5.061 4.871 0.088 1.00 0.00 H ATOM 181 HE21 GLN A 13 3.868 7.647 -0.615 1.00 0.00 H ATOM 182 HE22 GLN A 13 4.643 8.696 0.518 1.00 0.00 H ATOM 183 N GLU A 14 7.784 3.908 -4.429 1.00 0.00 N ATOM 184 CA GLU A 14 8.967 3.662 -5.248 1.00 0.00 C ATOM 185 C GLU A 14 10.176 4.354 -4.656 1.00 0.00 C ATOM 186 O GLU A 14 10.223 5.577 -4.541 1.00 0.00 O ATOM 187 CB GLU A 14 8.765 4.105 -6.691 1.00 0.00 C ATOM 188 CG GLU A 14 9.086 3.015 -7.705 1.00 0.00 C ATOM 189 CD GLU A 14 7.863 2.538 -8.462 1.00 0.00 C ATOM 190 OE1 GLU A 14 6.772 2.486 -7.857 1.00 0.00 O ATOM 191 OE2 GLU A 14 7.997 2.215 -9.661 1.00 0.00 O ATOM 192 H GLU A 14 6.925 3.538 -4.693 1.00 0.00 H ATOM 193 HA GLU A 14 9.145 2.599 -5.235 1.00 0.00 H ATOM 194 HB2 GLU A 14 7.740 4.404 -6.822 1.00 0.00 H ATOM 195 HB3 GLU A 14 9.412 4.947 -6.884 1.00 0.00 H ATOM 196 HG2 GLU A 14 9.801 3.400 -8.417 1.00 0.00 H ATOM 197 HG3 GLU A 14 9.520 2.172 -7.184 1.00 0.00 H ATOM 198 N ASN A 15 11.124 3.544 -4.254 1.00 0.00 N ATOM 199 CA ASN A 15 12.340 4.015 -3.622 1.00 0.00 C ATOM 200 C ASN A 15 13.292 4.707 -4.582 1.00 0.00 C ATOM 201 O ASN A 15 14.067 4.051 -5.278 1.00 0.00 O ATOM 202 CB ASN A 15 13.060 2.853 -2.949 1.00 0.00 C ATOM 203 CG ASN A 15 13.269 3.089 -1.473 1.00 0.00 C ATOM 204 OD1 ASN A 15 14.200 3.783 -1.063 1.00 0.00 O ATOM 205 ND2 ASN A 15 12.400 2.506 -0.669 1.00 0.00 N ATOM 206 H ASN A 15 10.987 2.590 -4.366 1.00 0.00 H ATOM 207 HA ASN A 15 12.058 4.708 -2.864 1.00 0.00 H ATOM 208 HB2 ASN A 15 12.473 1.956 -3.068 1.00 0.00 H ATOM 209 HB3 ASN A 15 14.025 2.716 -3.410 1.00 0.00 H ATOM 210 HD21 ASN A 15 11.689 1.967 -1.074 1.00 0.00 H ATOM 211 HD22 ASN A 15 12.501 2.640 0.293 1.00 0.00 H ATOM 212 N PRO A 16 13.308 6.051 -4.581 1.00 0.00 N ATOM 213 CA PRO A 16 14.241 6.805 -5.403 1.00 0.00 C ATOM 214 C PRO A 16 15.618 6.718 -4.773 1.00 0.00 C ATOM 215 O PRO A 16 16.593 7.308 -5.238 1.00 0.00 O ATOM 216 CB PRO A 16 13.698 8.230 -5.341 1.00 0.00 C ATOM 217 CG PRO A 16 13.029 8.311 -4.012 1.00 0.00 C ATOM 218 CD PRO A 16 12.485 6.932 -3.728 1.00 0.00 C ATOM 219 HA PRO A 16 14.273 6.446 -6.416 1.00 0.00 H ATOM 220 HB2 PRO A 16 14.514 8.934 -5.419 1.00 0.00 H ATOM 221 HB3 PRO A 16 12.997 8.390 -6.146 1.00 0.00 H ATOM 222 HG2 PRO A 16 13.747 8.594 -3.256 1.00 0.00 H ATOM 223 HG3 PRO A 16 12.223 9.030 -4.051 1.00 0.00 H ATOM 224 HD2 PRO A 16 12.611 6.685 -2.684 1.00 0.00 H ATOM 225 HD3 PRO A 16 11.446 6.878 -4.006 1.00 0.00 H ATOM 226 N PHE A 17 15.649 5.957 -3.688 1.00 0.00 N ATOM 227 CA PHE A 17 16.844 5.720 -2.907 1.00 0.00 C ATOM 228 C PHE A 17 17.550 4.466 -3.389 1.00 0.00 C ATOM 229 O PHE A 17 18.697 4.505 -3.834 1.00 0.00 O ATOM 230 CB PHE A 17 16.447 5.540 -1.441 1.00 0.00 C ATOM 231 CG PHE A 17 17.479 6.035 -0.479 1.00 0.00 C ATOM 232 CD1 PHE A 17 18.790 6.204 -0.884 1.00 0.00 C ATOM 233 CD2 PHE A 17 17.136 6.334 0.828 1.00 0.00 C ATOM 234 CE1 PHE A 17 19.748 6.664 -0.001 1.00 0.00 C ATOM 235 CE2 PHE A 17 18.088 6.793 1.718 1.00 0.00 C ATOM 236 CZ PHE A 17 19.397 6.960 1.303 1.00 0.00 C ATOM 237 H PHE A 17 14.820 5.534 -3.400 1.00 0.00 H ATOM 238 HA PHE A 17 17.499 6.570 -3.004 1.00 0.00 H ATOM 239 HB2 PHE A 17 15.527 6.078 -1.254 1.00 0.00 H ATOM 240 HB3 PHE A 17 16.282 4.487 -1.246 1.00 0.00 H ATOM 241 HD1 PHE A 17 19.061 5.970 -1.905 1.00 0.00 H ATOM 242 HD2 PHE A 17 16.112 6.201 1.149 1.00 0.00 H ATOM 243 HE1 PHE A 17 20.769 6.792 -0.328 1.00 0.00 H ATOM 244 HE2 PHE A 17 17.810 7.024 2.736 1.00 0.00 H ATOM 245 HZ PHE A 17 20.143 7.319 1.996 1.00 0.00 H ATOM 246 N PHE A 18 16.842 3.352 -3.280 1.00 0.00 N ATOM 247 CA PHE A 18 17.365 2.059 -3.682 1.00 0.00 C ATOM 248 C PHE A 18 17.263 1.871 -5.194 1.00 0.00 C ATOM 249 O PHE A 18 17.813 0.918 -5.747 1.00 0.00 O ATOM 250 CB PHE A 18 16.597 0.958 -2.952 1.00 0.00 C ATOM 251 CG PHE A 18 16.349 1.268 -1.506 1.00 0.00 C ATOM 252 CD1 PHE A 18 17.362 1.781 -0.717 1.00 0.00 C ATOM 253 CD2 PHE A 18 15.105 1.049 -0.935 1.00 0.00 C ATOM 254 CE1 PHE A 18 17.144 2.070 0.616 1.00 0.00 C ATOM 255 CE2 PHE A 18 14.879 1.335 0.397 1.00 0.00 C ATOM 256 CZ PHE A 18 15.900 1.847 1.174 1.00 0.00 C ATOM 257 H PHE A 18 15.937 3.401 -2.908 1.00 0.00 H ATOM 258 HA PHE A 18 18.402 2.016 -3.393 1.00 0.00 H ATOM 259 HB2 PHE A 18 15.640 0.826 -3.424 1.00 0.00 H ATOM 260 HB3 PHE A 18 17.156 0.036 -3.007 1.00 0.00 H ATOM 261 HD1 PHE A 18 18.331 1.956 -1.156 1.00 0.00 H ATOM 262 HD2 PHE A 18 14.305 0.650 -1.542 1.00 0.00 H ATOM 263 HE1 PHE A 18 17.944 2.470 1.220 1.00 0.00 H ATOM 264 HE2 PHE A 18 13.905 1.160 0.829 1.00 0.00 H ATOM 265 HZ PHE A 18 15.726 2.072 2.215 1.00 0.00 H ATOM 266 N SER A 19 16.557 2.790 -5.852 1.00 0.00 N ATOM 267 CA SER A 19 16.375 2.747 -7.296 1.00 0.00 C ATOM 268 C SER A 19 17.470 1.933 -7.968 1.00 0.00 C ATOM 269 O SER A 19 18.659 2.189 -7.784 1.00 0.00 O ATOM 270 CB SER A 19 16.355 4.165 -7.869 1.00 0.00 C ATOM 271 OG SER A 19 17.545 4.441 -8.587 1.00 0.00 O ATOM 272 H SER A 19 16.147 3.517 -5.352 1.00 0.00 H ATOM 273 HA SER A 19 15.423 2.278 -7.493 1.00 0.00 H ATOM 274 HB2 SER A 19 15.514 4.269 -8.538 1.00 0.00 H ATOM 275 HB3 SER A 19 16.263 4.876 -7.062 1.00 0.00 H ATOM 276 HG SER A 19 17.489 4.048 -9.462 1.00 0.00 H ATOM 277 N GLN A 20 17.051 0.950 -8.744 1.00 0.00 N ATOM 278 CA GLN A 20 17.979 0.079 -9.455 1.00 0.00 C ATOM 279 C GLN A 20 17.864 0.278 -10.962 1.00 0.00 C ATOM 280 O GLN A 20 16.883 0.840 -11.449 1.00 0.00 O ATOM 281 CB GLN A 20 17.704 -1.384 -9.098 1.00 0.00 C ATOM 282 CG GLN A 20 16.791 -2.095 -10.087 1.00 0.00 C ATOM 283 CD GLN A 20 16.267 -3.414 -9.554 1.00 0.00 C ATOM 284 OE1 GLN A 20 15.363 -3.443 -8.718 1.00 0.00 O ATOM 285 NE2 GLN A 20 16.832 -4.515 -10.037 1.00 0.00 N ATOM 286 H GLN A 20 16.087 0.806 -8.840 1.00 0.00 H ATOM 287 HA GLN A 20 18.981 0.335 -9.144 1.00 0.00 H ATOM 288 HB2 GLN A 20 18.641 -1.918 -9.061 1.00 0.00 H ATOM 289 HB3 GLN A 20 17.240 -1.422 -8.124 1.00 0.00 H ATOM 290 HG2 GLN A 20 15.950 -1.455 -10.306 1.00 0.00 H ATOM 291 HG3 GLN A 20 17.344 -2.286 -10.996 1.00 0.00 H ATOM 292 HE21 GLN A 20 17.545 -4.416 -10.702 1.00 0.00 H ATOM 293 HE22 GLN A 20 16.513 -5.381 -9.708 1.00 0.00 H ATOM 294 N PRO A 21 18.865 -0.192 -11.722 1.00 0.00 N ATOM 295 CA PRO A 21 18.870 -0.075 -13.183 1.00 0.00 C ATOM 296 C PRO A 21 17.656 -0.755 -13.805 1.00 0.00 C ATOM 297 O PRO A 21 17.778 -1.783 -14.470 1.00 0.00 O ATOM 298 CB PRO A 21 20.163 -0.785 -13.606 1.00 0.00 C ATOM 299 CG PRO A 21 20.560 -1.614 -12.431 1.00 0.00 C ATOM 300 CD PRO A 21 20.062 -0.879 -11.220 1.00 0.00 C ATOM 301 HA PRO A 21 18.901 0.958 -13.496 1.00 0.00 H ATOM 302 HB2 PRO A 21 19.971 -1.399 -14.474 1.00 0.00 H ATOM 303 HB3 PRO A 21 20.919 -0.049 -13.841 1.00 0.00 H ATOM 304 HG2 PRO A 21 20.096 -2.588 -12.495 1.00 0.00 H ATOM 305 HG3 PRO A 21 21.634 -1.711 -12.395 1.00 0.00 H ATOM 306 HD2 PRO A 21 19.809 -1.574 -10.433 1.00 0.00 H ATOM 307 HD3 PRO A 21 20.800 -0.169 -10.878 1.00 0.00 H ATOM 308 N GLY A 22 16.484 -0.173 -13.574 1.00 0.00 N ATOM 309 CA GLY A 22 15.257 -0.732 -14.107 1.00 0.00 C ATOM 310 C GLY A 22 14.164 -0.845 -13.059 1.00 0.00 C ATOM 311 O GLY A 22 13.155 -1.513 -13.278 1.00 0.00 O ATOM 312 H GLY A 22 16.453 0.642 -13.032 1.00 0.00 H ATOM 313 HA2 GLY A 22 14.906 -0.102 -14.911 1.00 0.00 H ATOM 314 HA3 GLY A 22 15.465 -1.716 -14.501 1.00 0.00 H ATOM 315 N ALA A 23 14.365 -0.192 -11.916 1.00 0.00 N ATOM 316 CA ALA A 23 13.387 -0.226 -10.834 1.00 0.00 C ATOM 317 C ALA A 23 13.763 0.730 -9.728 1.00 0.00 C ATOM 318 O ALA A 23 14.813 0.608 -9.104 1.00 0.00 O ATOM 319 CB ALA A 23 13.237 -1.637 -10.293 1.00 0.00 C ATOM 320 H ALA A 23 15.190 0.325 -11.795 1.00 0.00 H ATOM 321 HA ALA A 23 12.434 0.093 -11.229 1.00 0.00 H ATOM 322 HB1 ALA A 23 12.268 -1.745 -9.830 1.00 0.00 H ATOM 323 HB2 ALA A 23 14.009 -1.824 -9.560 1.00 0.00 H ATOM 324 HB3 ALA A 23 13.331 -2.345 -11.103 1.00 0.00 H ATOM 325 N PRO A 24 12.888 1.703 -9.484 1.00 0.00 N ATOM 326 CA PRO A 24 13.086 2.718 -8.463 1.00 0.00 C ATOM 327 C PRO A 24 12.722 2.222 -7.072 1.00 0.00 C ATOM 328 O PRO A 24 12.283 2.993 -6.223 1.00 0.00 O ATOM 329 CB PRO A 24 12.147 3.848 -8.904 1.00 0.00 C ATOM 330 CG PRO A 24 11.483 3.390 -10.165 1.00 0.00 C ATOM 331 CD PRO A 24 11.627 1.903 -10.195 1.00 0.00 C ATOM 332 HA PRO A 24 14.103 3.071 -8.452 1.00 0.00 H ATOM 333 HB2 PRO A 24 11.422 4.025 -8.132 1.00 0.00 H ATOM 334 HB3 PRO A 24 12.725 4.738 -9.076 1.00 0.00 H ATOM 335 HG2 PRO A 24 10.439 3.664 -10.151 1.00 0.00 H ATOM 336 HG3 PRO A 24 11.976 3.831 -11.019 1.00 0.00 H ATOM 337 HD2 PRO A 24 10.805 1.430 -9.677 1.00 0.00 H ATOM 338 HD3 PRO A 24 11.692 1.551 -11.213 1.00 0.00 H ATOM 339 N ILE A 25 12.923 0.930 -6.854 1.00 0.00 N ATOM 340 CA ILE A 25 12.638 0.299 -5.578 1.00 0.00 C ATOM 341 C ILE A 25 11.377 0.841 -4.940 1.00 0.00 C ATOM 342 O ILE A 25 10.701 1.679 -5.528 1.00 0.00 O ATOM 343 CB ILE A 25 13.825 0.416 -4.626 1.00 0.00 C ATOM 344 CG1 ILE A 25 15.022 -0.233 -5.284 1.00 0.00 C ATOM 345 CG2 ILE A 25 13.493 -0.311 -3.348 1.00 0.00 C ATOM 346 CD1 ILE A 25 14.640 -1.545 -5.900 1.00 0.00 C ATOM 347 H ILE A 25 13.285 0.382 -7.574 1.00 0.00 H ATOM 348 HA ILE A 25 12.482 -0.752 -5.774 1.00 0.00 H ATOM 349 HB ILE A 25 14.034 1.456 -4.417 1.00 0.00 H ATOM 350 HG12 ILE A 25 15.405 0.413 -6.060 1.00 0.00 H ATOM 351 HG13 ILE A 25 15.789 -0.418 -4.549 1.00 0.00 H ATOM 352 HG21 ILE A 25 12.886 -1.174 -3.592 1.00 0.00 H ATOM 353 HG22 ILE A 25 14.401 -0.636 -2.871 1.00 0.00 H ATOM 354 HG23 ILE A 25 12.942 0.337 -2.688 1.00 0.00 H ATOM 355 HD11 ILE A 25 13.814 -1.966 -5.340 1.00 0.00 H ATOM 356 HD12 ILE A 25 14.333 -1.382 -6.921 1.00 0.00 H ATOM 357 HD13 ILE A 25 15.478 -2.214 -5.867 1.00 0.00 H ATOM 358 N LEU A 26 11.002 0.307 -3.770 1.00 0.00 N ATOM 359 CA LEU A 26 9.752 0.726 -3.146 1.00 0.00 C ATOM 360 C LEU A 26 9.652 0.464 -1.670 1.00 0.00 C ATOM 361 O LEU A 26 10.625 0.203 -0.969 1.00 0.00 O ATOM 362 CB LEU A 26 8.629 -0.029 -3.810 1.00 0.00 C ATOM 363 CG LEU A 26 8.983 -0.438 -5.209 1.00 0.00 C ATOM 364 CD1 LEU A 26 8.812 -1.925 -5.402 1.00 0.00 C ATOM 365 CD2 LEU A 26 8.188 0.354 -6.231 1.00 0.00 C ATOM 366 H LEU A 26 11.531 -0.409 -3.370 1.00 0.00 H ATOM 367 HA LEU A 26 9.611 1.766 -3.329 1.00 0.00 H ATOM 368 HB2 LEU A 26 8.425 -0.918 -3.225 1.00 0.00 H ATOM 369 HB3 LEU A 26 7.754 0.591 -3.834 1.00 0.00 H ATOM 370 HG LEU A 26 10.020 -0.212 -5.332 1.00 0.00 H ATOM 371 HD11 LEU A 26 7.880 -2.236 -4.966 1.00 0.00 H ATOM 372 HD12 LEU A 26 8.815 -2.157 -6.456 1.00 0.00 H ATOM 373 HD13 LEU A 26 9.627 -2.437 -4.917 1.00 0.00 H ATOM 374 HD21 LEU A 26 7.945 1.324 -5.822 1.00 0.00 H ATOM 375 HD22 LEU A 26 8.777 0.477 -7.127 1.00 0.00 H ATOM 376 HD23 LEU A 26 7.278 -0.175 -6.467 1.00 0.00 H ATOM 377 N GLN A 27 8.409 0.538 -1.240 1.00 0.00 N ATOM 378 CA GLN A 27 8.037 0.312 0.144 1.00 0.00 C ATOM 379 C GLN A 27 6.589 0.722 0.367 1.00 0.00 C ATOM 380 O GLN A 27 6.307 1.772 0.945 1.00 0.00 O ATOM 381 CB GLN A 27 8.967 1.084 1.076 1.00 0.00 C ATOM 382 CG GLN A 27 8.398 1.297 2.468 1.00 0.00 C ATOM 383 CD GLN A 27 9.478 1.440 3.522 1.00 0.00 C ATOM 384 OE1 GLN A 27 9.630 0.583 4.392 1.00 0.00 O ATOM 385 NE2 GLN A 27 10.237 2.528 3.447 1.00 0.00 N ATOM 386 H GLN A 27 7.708 0.754 -1.902 1.00 0.00 H ATOM 387 HA GLN A 27 8.130 -0.745 0.341 1.00 0.00 H ATOM 388 HB2 GLN A 27 9.895 0.537 1.168 1.00 0.00 H ATOM 389 HB3 GLN A 27 9.171 2.050 0.640 1.00 0.00 H ATOM 390 HG2 GLN A 27 7.798 2.196 2.465 1.00 0.00 H ATOM 391 HG3 GLN A 27 7.776 0.451 2.723 1.00 0.00 H ATOM 392 HE21 GLN A 27 10.059 3.168 2.726 1.00 0.00 H ATOM 393 HE22 GLN A 27 10.942 2.647 4.116 1.00 0.00 H ATOM 394 N CYS A 28 5.679 -0.117 -0.121 1.00 0.00 N ATOM 395 CA CYS A 28 4.246 0.132 -0.010 1.00 0.00 C ATOM 396 C CYS A 28 3.943 1.101 1.129 1.00 0.00 C ATOM 397 O CYS A 28 4.088 0.752 2.300 1.00 0.00 O ATOM 398 CB CYS A 28 3.481 -1.175 0.214 1.00 0.00 C ATOM 399 SG CYS A 28 1.961 -1.321 -0.786 1.00 0.00 S ATOM 400 H CYS A 28 5.985 -0.922 -0.578 1.00 0.00 H ATOM 401 HA CYS A 28 3.924 0.565 -0.945 1.00 0.00 H ATOM 402 HB2 CYS A 28 4.119 -2.008 -0.033 1.00 0.00 H ATOM 403 HB3 CYS A 28 3.197 -1.241 1.254 1.00 0.00 H ATOM 404 N MET A 29 3.524 2.315 0.788 1.00 0.00 N ATOM 405 CA MET A 29 3.208 3.314 1.805 1.00 0.00 C ATOM 406 C MET A 29 2.062 4.217 1.362 1.00 0.00 C ATOM 407 O MET A 29 2.082 4.779 0.266 1.00 0.00 O ATOM 408 CB MET A 29 4.443 4.156 2.129 1.00 0.00 C ATOM 409 CG MET A 29 4.762 4.221 3.615 1.00 0.00 C ATOM 410 SD MET A 29 4.006 5.644 4.426 1.00 0.00 S ATOM 411 CE MET A 29 4.731 5.534 6.061 1.00 0.00 C ATOM 412 H MET A 29 3.424 2.543 -0.162 1.00 0.00 H ATOM 413 HA MET A 29 2.904 2.787 2.696 1.00 0.00 H ATOM 414 HB2 MET A 29 5.296 3.735 1.617 1.00 0.00 H ATOM 415 HB3 MET A 29 4.283 5.163 1.773 1.00 0.00 H ATOM 416 HG2 MET A 29 4.399 3.320 4.087 1.00 0.00 H ATOM 417 HG3 MET A 29 5.834 4.283 3.736 1.00 0.00 H ATOM 418 HE1 MET A 29 5.805 5.461 5.975 1.00 0.00 H ATOM 419 HE2 MET A 29 4.475 6.417 6.628 1.00 0.00 H ATOM 420 HE3 MET A 29 4.351 4.659 6.567 1.00 0.00 H ATOM 421 N GLY A 30 1.064 4.349 2.230 1.00 0.00 N ATOM 422 CA GLY A 30 -0.084 5.182 1.930 1.00 0.00 C ATOM 423 C GLY A 30 -1.148 5.099 3.007 1.00 0.00 C ATOM 424 O GLY A 30 -0.840 4.853 4.173 1.00 0.00 O ATOM 425 H GLY A 30 1.110 3.875 3.086 1.00 0.00 H ATOM 426 HA2 GLY A 30 0.242 6.208 1.838 1.00 0.00 H ATOM 427 HA3 GLY A 30 -0.512 4.865 0.991 1.00 0.00 H ATOM 428 N CYS A 31 -2.403 5.301 2.619 1.00 0.00 N ATOM 429 CA CYS A 31 -3.512 5.244 3.564 1.00 0.00 C ATOM 430 C CYS A 31 -4.809 4.854 2.859 1.00 0.00 C ATOM 431 O CYS A 31 -5.573 5.716 2.424 1.00 0.00 O ATOM 432 CB CYS A 31 -3.686 6.593 4.268 1.00 0.00 C ATOM 433 SG CYS A 31 -2.158 7.578 4.391 1.00 0.00 S ATOM 434 H CYS A 31 -2.587 5.491 1.675 1.00 0.00 H ATOM 435 HA CYS A 31 -3.279 4.491 4.302 1.00 0.00 H ATOM 436 HB2 CYS A 31 -4.410 7.182 3.727 1.00 0.00 H ATOM 437 HB3 CYS A 31 -4.047 6.421 5.271 1.00 0.00 H ATOM 438 N CYS A 32 -5.052 3.551 2.749 1.00 0.00 N ATOM 439 CA CYS A 32 -6.258 3.052 2.097 1.00 0.00 C ATOM 440 C CYS A 32 -7.499 3.743 2.651 1.00 0.00 C ATOM 441 O CYS A 32 -8.023 3.359 3.697 1.00 0.00 O ATOM 442 CB CYS A 32 -6.377 1.537 2.281 1.00 0.00 C ATOM 443 SG CYS A 32 -5.689 0.565 0.899 1.00 0.00 S ATOM 444 H CYS A 32 -4.406 2.910 3.114 1.00 0.00 H ATOM 445 HA CYS A 32 -6.178 3.272 1.042 1.00 0.00 H ATOM 446 HB2 CYS A 32 -5.851 1.249 3.178 1.00 0.00 H ATOM 447 HB3 CYS A 32 -7.420 1.275 2.381 1.00 0.00 H ATOM 448 N PHE A 33 -7.963 4.768 1.944 1.00 0.00 N ATOM 449 CA PHE A 33 -9.141 5.518 2.364 1.00 0.00 C ATOM 450 C PHE A 33 -10.331 4.591 2.588 1.00 0.00 C ATOM 451 O PHE A 33 -11.004 4.188 1.640 1.00 0.00 O ATOM 452 CB PHE A 33 -9.494 6.578 1.320 1.00 0.00 C ATOM 453 CG PHE A 33 -8.301 7.334 0.809 1.00 0.00 C ATOM 454 CD1 PHE A 33 -7.469 8.014 1.684 1.00 0.00 C ATOM 455 CD2 PHE A 33 -8.009 7.362 -0.546 1.00 0.00 C ATOM 456 CE1 PHE A 33 -6.368 8.708 1.218 1.00 0.00 C ATOM 457 CE2 PHE A 33 -6.909 8.054 -1.018 1.00 0.00 C ATOM 458 CZ PHE A 33 -6.088 8.728 -0.135 1.00 0.00 C ATOM 459 H PHE A 33 -7.500 5.027 1.119 1.00 0.00 H ATOM 460 HA PHE A 33 -8.903 6.010 3.295 1.00 0.00 H ATOM 461 HB2 PHE A 33 -9.968 6.098 0.477 1.00 0.00 H ATOM 462 HB3 PHE A 33 -10.179 7.289 1.756 1.00 0.00 H ATOM 463 HD1 PHE A 33 -7.687 8.000 2.741 1.00 0.00 H ATOM 464 HD2 PHE A 33 -8.651 6.836 -1.238 1.00 0.00 H ATOM 465 HE1 PHE A 33 -5.726 9.233 1.910 1.00 0.00 H ATOM 466 HE2 PHE A 33 -6.693 8.068 -2.075 1.00 0.00 H ATOM 467 HZ PHE A 33 -5.228 9.269 -0.502 1.00 0.00 H ATOM 468 N SER A 34 -10.585 4.261 3.849 1.00 0.00 N ATOM 469 CA SER A 34 -11.696 3.385 4.203 1.00 0.00 C ATOM 470 C SER A 34 -12.413 3.902 5.444 1.00 0.00 C ATOM 471 O SER A 34 -12.230 3.377 6.542 1.00 0.00 O ATOM 472 CB SER A 34 -11.195 1.962 4.446 1.00 0.00 C ATOM 473 OG SER A 34 -10.228 1.933 5.481 1.00 0.00 O ATOM 474 H SER A 34 -10.013 4.617 4.561 1.00 0.00 H ATOM 475 HA SER A 34 -12.390 3.378 3.375 1.00 0.00 H ATOM 476 HB2 SER A 34 -12.025 1.334 4.730 1.00 0.00 H ATOM 477 HB3 SER A 34 -10.747 1.580 3.540 1.00 0.00 H ATOM 478 HG SER A 34 -9.814 1.068 5.510 1.00 0.00 H ATOM 479 N ARG A 35 -13.227 4.936 5.262 1.00 0.00 N ATOM 480 CA ARG A 35 -13.969 5.528 6.367 1.00 0.00 C ATOM 481 C ARG A 35 -15.462 5.249 6.233 1.00 0.00 C ATOM 482 O ARG A 35 -15.886 4.487 5.364 1.00 0.00 O ATOM 483 CB ARG A 35 -13.726 7.037 6.416 1.00 0.00 C ATOM 484 CG ARG A 35 -13.701 7.608 7.823 1.00 0.00 C ATOM 485 CD ARG A 35 -14.423 8.945 7.893 1.00 0.00 C ATOM 486 NE ARG A 35 -13.535 10.027 8.313 1.00 0.00 N ATOM 487 CZ ARG A 35 -12.837 10.778 7.467 1.00 0.00 C ATOM 488 NH1 ARG A 35 -12.902 10.549 6.163 1.00 0.00 N ATOM 489 NH2 ARG A 35 -12.066 11.754 7.925 1.00 0.00 N ATOM 490 H ARG A 35 -13.328 5.312 4.363 1.00 0.00 H ATOM 491 HA ARG A 35 -13.611 5.084 7.284 1.00 0.00 H ATOM 492 HB2 ARG A 35 -12.777 7.253 5.947 1.00 0.00 H ATOM 493 HB3 ARG A 35 -14.510 7.534 5.863 1.00 0.00 H ATOM 494 HG2 ARG A 35 -14.186 6.913 8.493 1.00 0.00 H ATOM 495 HG3 ARG A 35 -12.674 7.747 8.127 1.00 0.00 H ATOM 496 HD2 ARG A 35 -14.820 9.177 6.916 1.00 0.00 H ATOM 497 HD3 ARG A 35 -15.235 8.863 8.600 1.00 0.00 H ATOM 498 HE ARG A 35 -13.461 10.206 9.274 1.00 0.00 H ATOM 499 HH11 ARG A 35 -13.476 9.810 5.813 1.00 0.00 H ATOM 500 HH12 ARG A 35 -12.377 11.118 5.530 1.00 0.00 H ATOM 501 HH21 ARG A 35 -12.010 11.927 8.909 1.00 0.00 H ATOM 502 HH22 ARG A 35 -11.544 12.320 7.287 1.00 0.00 H ATOM 503 N ALA A 36 -16.256 5.878 7.093 1.00 0.00 N ATOM 504 CA ALA A 36 -17.703 5.705 7.065 1.00 0.00 C ATOM 505 C ALA A 36 -18.338 6.670 6.072 1.00 0.00 C ATOM 506 O ALA A 36 -19.551 6.881 6.081 1.00 0.00 O ATOM 507 CB ALA A 36 -18.288 5.908 8.455 1.00 0.00 C ATOM 508 H ALA A 36 -15.860 6.478 7.759 1.00 0.00 H ATOM 509 HA ALA A 36 -17.913 4.692 6.753 1.00 0.00 H ATOM 510 HB1 ALA A 36 -18.360 6.965 8.665 1.00 0.00 H ATOM 511 HB2 ALA A 36 -19.272 5.464 8.500 1.00 0.00 H ATOM 512 HB3 ALA A 36 -17.648 5.438 9.187 1.00 0.00 H ATOM 513 N TYR A 37 -17.506 7.255 5.216 1.00 0.00 N ATOM 514 CA TYR A 37 -17.976 8.202 4.211 1.00 0.00 C ATOM 515 C TYR A 37 -16.906 8.445 3.151 1.00 0.00 C ATOM 516 O TYR A 37 -16.203 9.454 3.183 1.00 0.00 O ATOM 517 CB TYR A 37 -18.364 9.527 4.870 1.00 0.00 C ATOM 518 CG TYR A 37 -18.580 10.654 3.885 1.00 0.00 C ATOM 519 CD1 TYR A 37 -19.709 10.688 3.075 1.00 0.00 C ATOM 520 CD2 TYR A 37 -17.656 11.684 3.765 1.00 0.00 C ATOM 521 CE1 TYR A 37 -19.909 11.717 2.174 1.00 0.00 C ATOM 522 CE2 TYR A 37 -17.849 12.716 2.867 1.00 0.00 C ATOM 523 CZ TYR A 37 -18.976 12.728 2.074 1.00 0.00 C ATOM 524 OH TYR A 37 -19.172 13.754 1.178 1.00 0.00 O ATOM 525 H TYR A 37 -16.550 7.045 5.261 1.00 0.00 H ATOM 526 HA TYR A 37 -18.847 7.775 3.737 1.00 0.00 H ATOM 527 HB2 TYR A 37 -19.280 9.392 5.424 1.00 0.00 H ATOM 528 HB3 TYR A 37 -17.579 9.826 5.549 1.00 0.00 H ATOM 529 HD1 TYR A 37 -20.437 9.895 3.155 1.00 0.00 H ATOM 530 HD2 TYR A 37 -16.774 11.672 4.388 1.00 0.00 H ATOM 531 HE1 TYR A 37 -20.793 11.727 1.553 1.00 0.00 H ATOM 532 HE2 TYR A 37 -17.118 13.507 2.790 1.00 0.00 H ATOM 533 HH TYR A 37 -18.454 13.765 0.540 1.00 0.00 H ATOM 534 N PRO A 38 -16.770 7.513 2.197 1.00 0.00 N ATOM 535 CA PRO A 38 -15.780 7.617 1.118 1.00 0.00 C ATOM 536 C PRO A 38 -16.014 8.833 0.224 1.00 0.00 C ATOM 537 O PRO A 38 -17.135 9.330 0.113 1.00 0.00 O ATOM 538 CB PRO A 38 -15.970 6.319 0.321 1.00 0.00 C ATOM 539 CG PRO A 38 -17.330 5.830 0.689 1.00 0.00 C ATOM 540 CD PRO A 38 -17.570 6.284 2.100 1.00 0.00 C ATOM 541 HA PRO A 38 -14.775 7.654 1.512 1.00 0.00 H ATOM 542 HB2 PRO A 38 -15.900 6.530 -0.736 1.00 0.00 H ATOM 543 HB3 PRO A 38 -15.209 5.608 0.602 1.00 0.00 H ATOM 544 HG2 PRO A 38 -18.066 6.261 0.027 1.00 0.00 H ATOM 545 HG3 PRO A 38 -17.359 4.751 0.632 1.00 0.00 H ATOM 546 HD2 PRO A 38 -18.619 6.493 2.257 1.00 0.00 H ATOM 547 HD3 PRO A 38 -17.222 5.541 2.802 1.00 0.00 H ATOM 548 N THR A 39 -14.945 9.308 -0.409 1.00 0.00 N ATOM 549 CA THR A 39 -15.023 10.468 -1.292 1.00 0.00 C ATOM 550 C THR A 39 -16.140 10.301 -2.320 1.00 0.00 C ATOM 551 O THR A 39 -16.578 9.185 -2.601 1.00 0.00 O ATOM 552 CB THR A 39 -13.675 10.683 -1.990 1.00 0.00 C ATOM 553 OG1 THR A 39 -13.043 11.854 -1.506 1.00 0.00 O ATOM 554 CG2 THR A 39 -13.773 10.809 -3.497 1.00 0.00 C ATOM 555 H THR A 39 -14.079 8.868 -0.277 1.00 0.00 H ATOM 556 HA THR A 39 -15.241 11.332 -0.683 1.00 0.00 H ATOM 557 HB THR A 39 -13.034 9.840 -1.772 1.00 0.00 H ATOM 558 HG1 THR A 39 -12.285 11.610 -0.969 1.00 0.00 H ATOM 559 HG21 THR A 39 -14.639 11.399 -3.755 1.00 0.00 H ATOM 560 HG22 THR A 39 -12.884 11.292 -3.875 1.00 0.00 H ATOM 561 HG23 THR A 39 -13.863 9.826 -3.936 1.00 0.00 H ATOM 562 N PRO A 40 -16.613 11.418 -2.897 1.00 0.00 N ATOM 563 CA PRO A 40 -17.675 11.407 -3.895 1.00 0.00 C ATOM 564 C PRO A 40 -17.618 10.172 -4.787 1.00 0.00 C ATOM 565 O PRO A 40 -18.634 9.518 -5.024 1.00 0.00 O ATOM 566 CB PRO A 40 -17.384 12.670 -4.701 1.00 0.00 C ATOM 567 CG PRO A 40 -16.758 13.617 -3.727 1.00 0.00 C ATOM 568 CD PRO A 40 -16.142 12.786 -2.623 1.00 0.00 C ATOM 569 HA PRO A 40 -18.651 11.482 -3.440 1.00 0.00 H ATOM 570 HB2 PRO A 40 -16.710 12.434 -5.511 1.00 0.00 H ATOM 571 HB3 PRO A 40 -18.306 13.067 -5.097 1.00 0.00 H ATOM 572 HG2 PRO A 40 -15.994 14.195 -4.224 1.00 0.00 H ATOM 573 HG3 PRO A 40 -17.515 14.274 -3.321 1.00 0.00 H ATOM 574 HD2 PRO A 40 -15.065 12.837 -2.672 1.00 0.00 H ATOM 575 HD3 PRO A 40 -16.490 13.126 -1.658 1.00 0.00 H ATOM 576 N LEU A 41 -16.424 9.858 -5.277 1.00 0.00 N ATOM 577 CA LEU A 41 -16.231 8.701 -6.143 1.00 0.00 C ATOM 578 C LEU A 41 -17.195 8.741 -7.324 1.00 0.00 C ATOM 579 O LEU A 41 -17.970 9.686 -7.473 1.00 0.00 O ATOM 580 CB LEU A 41 -16.430 7.407 -5.350 1.00 0.00 C ATOM 581 CG LEU A 41 -15.143 6.652 -5.013 1.00 0.00 C ATOM 582 CD1 LEU A 41 -14.573 7.134 -3.687 1.00 0.00 C ATOM 583 CD2 LEU A 41 -15.401 5.154 -4.971 1.00 0.00 C ATOM 584 H LEU A 41 -15.652 10.419 -5.049 1.00 0.00 H ATOM 585 HA LEU A 41 -15.219 8.732 -6.518 1.00 0.00 H ATOM 586 HB2 LEU A 41 -16.934 7.650 -4.426 1.00 0.00 H ATOM 587 HB3 LEU A 41 -17.065 6.751 -5.926 1.00 0.00 H ATOM 588 HG LEU A 41 -14.409 6.845 -5.781 1.00 0.00 H ATOM 589 HD11 LEU A 41 -14.726 8.199 -3.595 1.00 0.00 H ATOM 590 HD12 LEU A 41 -15.073 6.628 -2.874 1.00 0.00 H ATOM 591 HD13 LEU A 41 -13.516 6.918 -3.650 1.00 0.00 H ATOM 592 HD21 LEU A 41 -16.140 4.896 -5.715 1.00 0.00 H ATOM 593 HD22 LEU A 41 -14.483 4.625 -5.178 1.00 0.00 H ATOM 594 HD23 LEU A 41 -15.764 4.878 -3.992 1.00 0.00 H ATOM 595 N ARG A 42 -17.144 7.709 -8.160 1.00 0.00 N ATOM 596 CA ARG A 42 -18.016 7.628 -9.326 1.00 0.00 C ATOM 597 C ARG A 42 -17.637 6.442 -10.207 1.00 0.00 C ATOM 598 O ARG A 42 -17.515 6.573 -11.425 1.00 0.00 O ATOM 599 CB ARG A 42 -17.947 8.926 -10.135 1.00 0.00 C ATOM 600 CG ARG A 42 -16.529 9.373 -10.452 1.00 0.00 C ATOM 601 CD ARG A 42 -16.317 10.842 -10.117 1.00 0.00 C ATOM 602 NE ARG A 42 -14.954 11.107 -9.663 1.00 0.00 N ATOM 603 CZ ARG A 42 -14.644 12.026 -8.753 1.00 0.00 C ATOM 604 NH1 ARG A 42 -15.595 12.769 -8.203 1.00 0.00 N ATOM 605 NH2 ARG A 42 -13.380 12.201 -8.389 1.00 0.00 N ATOM 606 H ARG A 42 -16.506 6.985 -7.987 1.00 0.00 H ATOM 607 HA ARG A 42 -19.026 7.489 -8.972 1.00 0.00 H ATOM 608 HB2 ARG A 42 -18.472 8.784 -11.068 1.00 0.00 H ATOM 609 HB3 ARG A 42 -18.432 9.712 -9.576 1.00 0.00 H ATOM 610 HG2 ARG A 42 -15.837 8.779 -9.874 1.00 0.00 H ATOM 611 HG3 ARG A 42 -16.342 9.223 -11.505 1.00 0.00 H ATOM 612 HD2 ARG A 42 -16.514 11.432 -11.000 1.00 0.00 H ATOM 613 HD3 ARG A 42 -17.007 11.122 -9.336 1.00 0.00 H ATOM 614 HE ARG A 42 -14.232 10.573 -10.058 1.00 0.00 H ATOM 615 HH11 ARG A 42 -16.549 12.642 -8.474 1.00 0.00 H ATOM 616 HH12 ARG A 42 -15.358 13.458 -7.518 1.00 0.00 H ATOM 617 HH21 ARG A 42 -12.659 11.644 -8.801 1.00 0.00 H ATOM 618 HH22 ARG A 42 -13.148 12.892 -7.705 1.00 0.00 H ATOM 619 N SER A 43 -17.453 5.283 -9.581 1.00 0.00 N ATOM 620 CA SER A 43 -17.088 4.071 -10.305 1.00 0.00 C ATOM 621 C SER A 43 -17.582 2.828 -9.572 1.00 0.00 C ATOM 622 O SER A 43 -18.367 2.048 -10.110 1.00 0.00 O ATOM 623 CB SER A 43 -15.570 3.998 -10.489 1.00 0.00 C ATOM 624 OG SER A 43 -14.900 4.798 -9.530 1.00 0.00 O ATOM 625 H SER A 43 -17.565 5.243 -8.608 1.00 0.00 H ATOM 626 HA SER A 43 -17.558 4.112 -11.276 1.00 0.00 H ATOM 627 HB2 SER A 43 -15.244 2.975 -10.376 1.00 0.00 H ATOM 628 HB3 SER A 43 -15.312 4.350 -11.477 1.00 0.00 H ATOM 629 HG SER A 43 -14.125 5.197 -9.932 1.00 0.00 H ATOM 630 N LYS A 44 -17.115 2.649 -8.341 1.00 0.00 N ATOM 631 CA LYS A 44 -17.507 1.498 -7.534 1.00 0.00 C ATOM 632 C LYS A 44 -18.976 1.149 -7.753 1.00 0.00 C ATOM 633 O LYS A 44 -19.815 2.031 -7.934 1.00 0.00 O ATOM 634 CB LYS A 44 -17.252 1.776 -6.051 1.00 0.00 C ATOM 635 CG LYS A 44 -15.918 1.241 -5.554 1.00 0.00 C ATOM 636 CD LYS A 44 -15.709 -0.206 -5.972 1.00 0.00 C ATOM 637 CE LYS A 44 -14.548 -0.343 -6.943 1.00 0.00 C ATOM 638 NZ LYS A 44 -13.351 -0.943 -6.294 1.00 0.00 N ATOM 639 H LYS A 44 -16.491 3.305 -7.966 1.00 0.00 H ATOM 640 HA LYS A 44 -16.901 0.659 -7.842 1.00 0.00 H ATOM 641 HB2 LYS A 44 -17.273 2.843 -5.887 1.00 0.00 H ATOM 642 HB3 LYS A 44 -18.038 1.316 -5.470 1.00 0.00 H ATOM 643 HG2 LYS A 44 -15.123 1.844 -5.969 1.00 0.00 H ATOM 644 HG3 LYS A 44 -15.896 1.303 -4.476 1.00 0.00 H ATOM 645 HD2 LYS A 44 -15.501 -0.798 -5.093 1.00 0.00 H ATOM 646 HD3 LYS A 44 -16.609 -0.567 -6.447 1.00 0.00 H ATOM 647 HE2 LYS A 44 -14.854 -0.973 -7.764 1.00 0.00 H ATOM 648 HE3 LYS A 44 -14.291 0.637 -7.317 1.00 0.00 H ATOM 649 HZ1 LYS A 44 -13.297 -0.647 -5.299 1.00 0.00 H ATOM 650 HZ2 LYS A 44 -13.406 -1.980 -6.334 1.00 0.00 H ATOM 651 HZ3 LYS A 44 -12.486 -0.634 -6.784 1.00 0.00 H ATOM 652 N LYS A 45 -19.279 -0.146 -7.735 1.00 0.00 N ATOM 653 CA LYS A 45 -20.646 -0.615 -7.932 1.00 0.00 C ATOM 654 C LYS A 45 -20.722 -2.134 -7.807 1.00 0.00 C ATOM 655 O LYS A 45 -21.716 -2.679 -7.327 1.00 0.00 O ATOM 656 CB LYS A 45 -21.167 -0.171 -9.301 1.00 0.00 C ATOM 657 CG LYS A 45 -22.615 -0.555 -9.556 1.00 0.00 C ATOM 658 CD LYS A 45 -22.821 -1.041 -10.982 1.00 0.00 C ATOM 659 CE LYS A 45 -21.993 -2.283 -11.277 1.00 0.00 C ATOM 660 NZ LYS A 45 -21.371 -2.228 -12.629 1.00 0.00 N ATOM 661 H LYS A 45 -18.566 -0.802 -7.587 1.00 0.00 H ATOM 662 HA LYS A 45 -21.261 -0.172 -7.162 1.00 0.00 H ATOM 663 HB2 LYS A 45 -21.086 0.904 -9.372 1.00 0.00 H ATOM 664 HB3 LYS A 45 -20.557 -0.620 -10.070 1.00 0.00 H ATOM 665 HG2 LYS A 45 -22.894 -1.344 -8.873 1.00 0.00 H ATOM 666 HG3 LYS A 45 -23.242 0.309 -9.385 1.00 0.00 H ATOM 667 HD2 LYS A 45 -23.865 -1.276 -11.124 1.00 0.00 H ATOM 668 HD3 LYS A 45 -22.530 -0.255 -11.664 1.00 0.00 H ATOM 669 HE2 LYS A 45 -21.213 -2.365 -10.534 1.00 0.00 H ATOM 670 HE3 LYS A 45 -22.636 -3.150 -11.220 1.00 0.00 H ATOM 671 HZ1 LYS A 45 -21.987 -1.704 -13.284 1.00 0.00 H ATOM 672 HZ2 LYS A 45 -20.449 -1.749 -12.579 1.00 0.00 H ATOM 673 HZ3 LYS A 45 -21.232 -3.189 -12.999 1.00 0.00 H ATOM 674 N THR A 46 -19.661 -2.814 -8.235 1.00 0.00 N ATOM 675 CA THR A 46 -19.607 -4.271 -8.162 1.00 0.00 C ATOM 676 C THR A 46 -19.723 -4.741 -6.715 1.00 0.00 C ATOM 677 O THR A 46 -20.288 -4.046 -5.871 1.00 0.00 O ATOM 678 CB THR A 46 -18.302 -4.786 -8.773 1.00 0.00 C ATOM 679 OG1 THR A 46 -17.239 -4.681 -7.843 1.00 0.00 O ATOM 680 CG2 THR A 46 -17.889 -4.042 -10.026 1.00 0.00 C ATOM 681 H THR A 46 -18.896 -2.326 -8.604 1.00 0.00 H ATOM 682 HA THR A 46 -20.440 -4.664 -8.726 1.00 0.00 H ATOM 683 HB THR A 46 -18.424 -5.828 -9.033 1.00 0.00 H ATOM 684 HG1 THR A 46 -17.457 -4.019 -7.182 1.00 0.00 H ATOM 685 HG21 THR A 46 -18.716 -4.019 -10.720 1.00 0.00 H ATOM 686 HG22 THR A 46 -17.608 -3.032 -9.768 1.00 0.00 H ATOM 687 HG23 THR A 46 -17.049 -4.544 -10.483 1.00 0.00 H ATOM 688 N MET A 47 -19.178 -5.920 -6.432 1.00 0.00 N ATOM 689 CA MET A 47 -19.218 -6.472 -5.082 1.00 0.00 C ATOM 690 C MET A 47 -18.610 -5.488 -4.086 1.00 0.00 C ATOM 691 O MET A 47 -19.193 -4.443 -3.800 1.00 0.00 O ATOM 692 CB MET A 47 -18.468 -7.805 -5.032 1.00 0.00 C ATOM 693 CG MET A 47 -19.223 -8.953 -5.682 1.00 0.00 C ATOM 694 SD MET A 47 -20.314 -9.808 -4.529 1.00 0.00 S ATOM 695 CE MET A 47 -20.093 -11.507 -5.050 1.00 0.00 C ATOM 696 H MET A 47 -18.735 -6.427 -7.143 1.00 0.00 H ATOM 697 HA MET A 47 -20.252 -6.638 -4.822 1.00 0.00 H ATOM 698 HB2 MET A 47 -17.522 -7.691 -5.541 1.00 0.00 H ATOM 699 HB3 MET A 47 -18.284 -8.062 -4.000 1.00 0.00 H ATOM 700 HG2 MET A 47 -19.816 -8.563 -6.494 1.00 0.00 H ATOM 701 HG3 MET A 47 -18.506 -9.662 -6.069 1.00 0.00 H ATOM 702 HE1 MET A 47 -19.875 -11.533 -6.107 1.00 0.00 H ATOM 703 HE2 MET A 47 -19.273 -11.948 -4.502 1.00 0.00 H ATOM 704 HE3 MET A 47 -20.998 -12.063 -4.855 1.00 0.00 H ATOM 705 N LEU A 48 -17.429 -5.819 -3.570 1.00 0.00 N ATOM 706 CA LEU A 48 -16.742 -4.953 -2.619 1.00 0.00 C ATOM 707 C LEU A 48 -17.446 -4.946 -1.264 1.00 0.00 C ATOM 708 O LEU A 48 -18.649 -4.699 -1.179 1.00 0.00 O ATOM 709 CB LEU A 48 -16.668 -3.526 -3.169 1.00 0.00 C ATOM 710 CG LEU A 48 -15.307 -2.833 -3.041 1.00 0.00 C ATOM 711 CD1 LEU A 48 -15.491 -1.386 -2.613 1.00 0.00 C ATOM 712 CD2 LEU A 48 -14.409 -3.570 -2.056 1.00 0.00 C ATOM 713 H LEU A 48 -17.005 -6.659 -3.841 1.00 0.00 H ATOM 714 HA LEU A 48 -15.741 -5.333 -2.490 1.00 0.00 H ATOM 715 HB2 LEU A 48 -16.934 -3.554 -4.216 1.00 0.00 H ATOM 716 HB3 LEU A 48 -17.399 -2.927 -2.648 1.00 0.00 H ATOM 717 HG LEU A 48 -14.820 -2.834 -4.005 1.00 0.00 H ATOM 718 HD11 LEU A 48 -16.530 -1.111 -2.716 1.00 0.00 H ATOM 719 HD12 LEU A 48 -15.189 -1.275 -1.582 1.00 0.00 H ATOM 720 HD13 LEU A 48 -14.885 -0.746 -3.237 1.00 0.00 H ATOM 721 HD21 LEU A 48 -14.987 -3.866 -1.192 1.00 0.00 H ATOM 722 HD22 LEU A 48 -13.998 -4.448 -2.531 1.00 0.00 H ATOM 723 HD23 LEU A 48 -13.605 -2.919 -1.745 1.00 0.00 H ATOM 724 N VAL A 49 -16.684 -5.208 -0.207 1.00 0.00 N ATOM 725 CA VAL A 49 -17.227 -5.222 1.146 1.00 0.00 C ATOM 726 C VAL A 49 -16.391 -4.345 2.075 1.00 0.00 C ATOM 727 O VAL A 49 -15.166 -4.457 2.113 1.00 0.00 O ATOM 728 CB VAL A 49 -17.288 -6.654 1.714 1.00 0.00 C ATOM 729 CG1 VAL A 49 -18.212 -7.524 0.874 1.00 0.00 C ATOM 730 CG2 VAL A 49 -15.895 -7.263 1.787 1.00 0.00 C ATOM 731 H VAL A 49 -15.731 -5.389 -0.340 1.00 0.00 H ATOM 732 HA VAL A 49 -18.233 -4.830 1.105 1.00 0.00 H ATOM 733 HB VAL A 49 -17.689 -6.606 2.716 1.00 0.00 H ATOM 734 HG11 VAL A 49 -18.119 -7.248 -0.166 1.00 0.00 H ATOM 735 HG12 VAL A 49 -17.940 -8.562 0.996 1.00 0.00 H ATOM 736 HG13 VAL A 49 -19.233 -7.379 1.194 1.00 0.00 H ATOM 737 HG21 VAL A 49 -15.194 -6.519 2.132 1.00 0.00 H ATOM 738 HG22 VAL A 49 -15.902 -8.097 2.474 1.00 0.00 H ATOM 739 HG23 VAL A 49 -15.601 -7.608 0.806 1.00 0.00 H ATOM 740 N GLN A 50 -17.058 -3.464 2.815 1.00 0.00 N ATOM 741 CA GLN A 50 -16.370 -2.564 3.736 1.00 0.00 C ATOM 742 C GLN A 50 -16.837 -2.783 5.174 1.00 0.00 C ATOM 743 O GLN A 50 -18.036 -2.790 5.453 1.00 0.00 O ATOM 744 CB GLN A 50 -16.605 -1.107 3.329 1.00 0.00 C ATOM 745 CG GLN A 50 -15.474 -0.510 2.507 1.00 0.00 C ATOM 746 CD GLN A 50 -14.252 -0.182 3.343 1.00 0.00 C ATOM 747 OE1 GLN A 50 -14.105 0.937 3.835 1.00 0.00 O ATOM 748 NE2 GLN A 50 -13.367 -1.158 3.506 1.00 0.00 N ATOM 749 H GLN A 50 -18.034 -3.414 2.738 1.00 0.00 H ATOM 750 HA GLN A 50 -15.313 -2.776 3.678 1.00 0.00 H ATOM 751 HB2 GLN A 50 -17.512 -1.051 2.746 1.00 0.00 H ATOM 752 HB3 GLN A 50 -16.726 -0.511 4.223 1.00 0.00 H ATOM 753 HG2 GLN A 50 -15.187 -1.217 1.744 1.00 0.00 H ATOM 754 HG3 GLN A 50 -15.826 0.398 2.040 1.00 0.00 H ATOM 755 HE21 GLN A 50 -13.549 -2.023 3.083 1.00 0.00 H ATOM 756 HE22 GLN A 50 -12.568 -0.974 4.042 1.00 0.00 H ATOM 757 N LYS A 51 -15.879 -2.955 6.081 1.00 0.00 N ATOM 758 CA LYS A 51 -16.182 -3.168 7.493 1.00 0.00 C ATOM 759 C LYS A 51 -14.945 -2.923 8.352 1.00 0.00 C ATOM 760 O LYS A 51 -14.668 -3.673 9.288 1.00 0.00 O ATOM 761 CB LYS A 51 -16.702 -4.590 7.726 1.00 0.00 C ATOM 762 CG LYS A 51 -18.066 -4.852 7.107 1.00 0.00 C ATOM 763 CD LYS A 51 -18.667 -6.154 7.614 1.00 0.00 C ATOM 764 CE LYS A 51 -19.028 -6.065 9.088 1.00 0.00 C ATOM 765 NZ LYS A 51 -20.484 -5.830 9.291 1.00 0.00 N ATOM 766 H LYS A 51 -14.942 -2.934 5.792 1.00 0.00 H ATOM 767 HA LYS A 51 -16.949 -2.462 7.778 1.00 0.00 H ATOM 768 HB2 LYS A 51 -15.998 -5.292 7.306 1.00 0.00 H ATOM 769 HB3 LYS A 51 -16.776 -4.763 8.790 1.00 0.00 H ATOM 770 HG2 LYS A 51 -18.729 -4.038 7.361 1.00 0.00 H ATOM 771 HG3 LYS A 51 -17.957 -4.910 6.034 1.00 0.00 H ATOM 772 HD2 LYS A 51 -19.560 -6.373 7.048 1.00 0.00 H ATOM 773 HD3 LYS A 51 -17.948 -6.949 7.477 1.00 0.00 H ATOM 774 HE2 LYS A 51 -18.753 -6.992 9.570 1.00 0.00 H ATOM 775 HE3 LYS A 51 -18.475 -5.251 9.534 1.00 0.00 H ATOM 776 HZ1 LYS A 51 -20.780 -4.966 8.794 1.00 0.00 H ATOM 777 HZ2 LYS A 51 -21.031 -6.634 8.923 1.00 0.00 H ATOM 778 HZ3 LYS A 51 -20.691 -5.719 10.305 1.00 0.00 H ATOM 779 N ASN A 52 -14.203 -1.870 8.024 1.00 0.00 N ATOM 780 CA ASN A 52 -12.991 -1.526 8.761 1.00 0.00 C ATOM 781 C ASN A 52 -13.238 -1.559 10.264 1.00 0.00 C ATOM 782 O ASN A 52 -14.363 -1.770 10.715 1.00 0.00 O ATOM 783 CB ASN A 52 -12.495 -0.138 8.353 1.00 0.00 C ATOM 784 CG ASN A 52 -13.605 0.894 8.355 1.00 0.00 C ATOM 785 OD1 ASN A 52 -13.987 1.412 7.306 1.00 0.00 O ATOM 786 ND2 ASN A 52 -14.129 1.199 9.536 1.00 0.00 N ATOM 787 H ASN A 52 -14.475 -1.312 7.266 1.00 0.00 H ATOM 788 HA ASN A 52 -12.235 -2.256 8.516 1.00 0.00 H ATOM 789 HB2 ASN A 52 -11.731 0.181 9.047 1.00 0.00 H ATOM 790 HB3 ASN A 52 -12.075 -0.190 7.360 1.00 0.00 H ATOM 791 HD21 ASN A 52 -13.774 0.747 10.330 1.00 0.00 H ATOM 792 HD22 ASN A 52 -14.848 1.863 9.566 1.00 0.00 H ATOM 793 N VAL A 53 -12.178 -1.344 11.033 1.00 0.00 N ATOM 794 CA VAL A 53 -12.277 -1.345 12.485 1.00 0.00 C ATOM 795 C VAL A 53 -11.494 -0.186 13.089 1.00 0.00 C ATOM 796 O VAL A 53 -10.777 0.528 12.386 1.00 0.00 O ATOM 797 CB VAL A 53 -11.763 -2.665 13.086 1.00 0.00 C ATOM 798 CG1 VAL A 53 -12.873 -3.704 13.117 1.00 0.00 C ATOM 799 CG2 VAL A 53 -10.565 -3.179 12.303 1.00 0.00 C ATOM 800 H VAL A 53 -11.308 -1.179 10.613 1.00 0.00 H ATOM 801 HA VAL A 53 -13.320 -1.237 12.747 1.00 0.00 H ATOM 802 HB VAL A 53 -11.448 -2.477 14.102 1.00 0.00 H ATOM 803 HG11 VAL A 53 -13.810 -3.236 12.857 1.00 0.00 H ATOM 804 HG12 VAL A 53 -12.653 -4.489 12.408 1.00 0.00 H ATOM 805 HG13 VAL A 53 -12.943 -4.124 14.110 1.00 0.00 H ATOM 806 HG21 VAL A 53 -10.739 -3.041 11.245 1.00 0.00 H ATOM 807 HG22 VAL A 53 -9.681 -2.632 12.597 1.00 0.00 H ATOM 808 HG23 VAL A 53 -10.423 -4.229 12.510 1.00 0.00 H ATOM 809 N THR A 54 -11.639 -0.003 14.396 1.00 0.00 N ATOM 810 CA THR A 54 -10.949 1.071 15.099 1.00 0.00 C ATOM 811 C THR A 54 -9.474 0.734 15.296 1.00 0.00 C ATOM 812 O THR A 54 -9.115 -0.425 15.508 1.00 0.00 O ATOM 813 CB THR A 54 -11.617 1.326 16.452 1.00 0.00 C ATOM 814 OG1 THR A 54 -12.494 0.264 16.784 1.00 0.00 O ATOM 815 CG2 THR A 54 -12.419 2.609 16.495 1.00 0.00 C ATOM 816 H THR A 54 -12.225 -0.604 14.899 1.00 0.00 H ATOM 817 HA THR A 54 -11.024 1.963 14.497 1.00 0.00 H ATOM 818 HB THR A 54 -10.854 1.387 17.214 1.00 0.00 H ATOM 819 HG1 THR A 54 -12.385 0.034 17.709 1.00 0.00 H ATOM 820 HG21 THR A 54 -11.858 3.401 16.021 1.00 0.00 H ATOM 821 HG22 THR A 54 -13.354 2.467 15.972 1.00 0.00 H ATOM 822 HG23 THR A 54 -12.619 2.874 17.523 1.00 0.00 H ATOM 823 N SER A 55 -8.624 1.754 15.223 1.00 0.00 N ATOM 824 CA SER A 55 -7.186 1.569 15.391 1.00 0.00 C ATOM 825 C SER A 55 -6.658 0.495 14.444 1.00 0.00 C ATOM 826 O SER A 55 -7.035 -0.672 14.540 1.00 0.00 O ATOM 827 CB SER A 55 -6.863 1.190 16.837 1.00 0.00 C ATOM 828 OG SER A 55 -7.970 1.429 17.688 1.00 0.00 O ATOM 829 H SER A 55 -8.973 2.653 15.050 1.00 0.00 H ATOM 830 HA SER A 55 -6.703 2.506 15.158 1.00 0.00 H ATOM 831 HB2 SER A 55 -6.609 0.141 16.884 1.00 0.00 H ATOM 832 HB3 SER A 55 -6.025 1.778 17.183 1.00 0.00 H ATOM 833 HG SER A 55 -7.702 1.313 18.603 1.00 0.00 H ATOM 834 N GLU A 56 -5.781 0.897 13.530 1.00 0.00 N ATOM 835 CA GLU A 56 -5.203 -0.034 12.570 1.00 0.00 C ATOM 836 C GLU A 56 -6.291 -0.649 11.697 1.00 0.00 C ATOM 837 O GLU A 56 -7.173 -1.352 12.191 1.00 0.00 O ATOM 838 CB GLU A 56 -4.426 -1.132 13.298 1.00 0.00 C ATOM 839 CG GLU A 56 -2.968 -0.781 13.544 1.00 0.00 C ATOM 840 CD GLU A 56 -2.061 -1.233 12.417 1.00 0.00 C ATOM 841 OE1 GLU A 56 -2.306 -2.322 11.858 1.00 0.00 O ATOM 842 OE2 GLU A 56 -1.105 -0.498 12.093 1.00 0.00 O ATOM 843 H GLU A 56 -5.516 1.840 13.501 1.00 0.00 H ATOM 844 HA GLU A 56 -4.523 0.519 11.939 1.00 0.00 H ATOM 845 HB2 GLU A 56 -4.895 -1.315 14.253 1.00 0.00 H ATOM 846 HB3 GLU A 56 -4.462 -2.036 12.709 1.00 0.00 H ATOM 847 HG2 GLU A 56 -2.881 0.290 13.647 1.00 0.00 H ATOM 848 HG3 GLU A 56 -2.645 -1.256 14.459 1.00 0.00 H ATOM 849 N SER A 57 -6.227 -0.374 10.400 1.00 0.00 N ATOM 850 CA SER A 57 -7.213 -0.894 9.460 1.00 0.00 C ATOM 851 C SER A 57 -6.535 -1.514 8.241 1.00 0.00 C ATOM 852 O SER A 57 -5.312 -1.652 8.201 1.00 0.00 O ATOM 853 CB SER A 57 -8.156 0.227 9.019 1.00 0.00 C ATOM 854 OG SER A 57 -9.132 -0.252 8.108 1.00 0.00 O ATOM 855 H SER A 57 -5.503 0.196 10.067 1.00 0.00 H ATOM 856 HA SER A 57 -7.786 -1.656 9.966 1.00 0.00 H ATOM 857 HB2 SER A 57 -8.658 0.632 9.884 1.00 0.00 H ATOM 858 HB3 SER A 57 -7.583 1.006 8.538 1.00 0.00 H ATOM 859 HG SER A 57 -9.883 -0.596 8.596 1.00 0.00 H ATOM 860 N THR A 58 -7.339 -1.886 7.249 1.00 0.00 N ATOM 861 CA THR A 58 -6.821 -2.492 6.026 1.00 0.00 C ATOM 862 C THR A 58 -5.494 -1.860 5.619 1.00 0.00 C ATOM 863 O THR A 58 -5.216 -0.707 5.945 1.00 0.00 O ATOM 864 CB THR A 58 -7.832 -2.343 4.887 1.00 0.00 C ATOM 865 OG1 THR A 58 -8.824 -1.387 5.220 1.00 0.00 O ATOM 866 CG2 THR A 58 -8.538 -3.636 4.537 1.00 0.00 C ATOM 867 H THR A 58 -8.306 -1.749 7.341 1.00 0.00 H ATOM 868 HA THR A 58 -6.662 -3.543 6.217 1.00 0.00 H ATOM 869 HB THR A 58 -7.314 -1.999 4.002 1.00 0.00 H ATOM 870 HG1 THR A 58 -9.408 -1.258 4.470 1.00 0.00 H ATOM 871 HG21 THR A 58 -7.804 -4.399 4.321 1.00 0.00 H ATOM 872 HG22 THR A 58 -9.149 -3.949 5.370 1.00 0.00 H ATOM 873 HG23 THR A 58 -9.163 -3.482 3.670 1.00 0.00 H ATOM 874 N CYS A 59 -4.682 -2.626 4.898 1.00 0.00 N ATOM 875 CA CYS A 59 -3.386 -2.148 4.435 1.00 0.00 C ATOM 876 C CYS A 59 -2.934 -2.937 3.213 1.00 0.00 C ATOM 877 O CYS A 59 -3.500 -3.982 2.896 1.00 0.00 O ATOM 878 CB CYS A 59 -2.344 -2.263 5.547 1.00 0.00 C ATOM 879 SG CYS A 59 -1.843 -3.975 5.924 1.00 0.00 S ATOM 880 H CYS A 59 -4.965 -3.535 4.667 1.00 0.00 H ATOM 881 HA CYS A 59 -3.493 -1.111 4.156 1.00 0.00 H ATOM 882 HB2 CYS A 59 -1.458 -1.717 5.258 1.00 0.00 H ATOM 883 HB3 CYS A 59 -2.746 -1.832 6.452 1.00 0.00 H ATOM 884 N CYS A 60 -1.916 -2.433 2.528 1.00 0.00 N ATOM 885 CA CYS A 60 -1.404 -3.099 1.337 1.00 0.00 C ATOM 886 C CYS A 60 -0.087 -3.813 1.623 1.00 0.00 C ATOM 887 O CYS A 60 0.882 -3.202 2.075 1.00 0.00 O ATOM 888 CB CYS A 60 -1.220 -2.095 0.197 1.00 0.00 C ATOM 889 SG CYS A 60 -1.432 -0.352 0.687 1.00 0.00 S ATOM 890 H CYS A 60 -1.503 -1.595 2.826 1.00 0.00 H ATOM 891 HA CYS A 60 -2.135 -3.835 1.037 1.00 0.00 H ATOM 892 HB2 CYS A 60 -0.227 -2.202 -0.209 1.00 0.00 H ATOM 893 HB3 CYS A 60 -1.943 -2.308 -0.578 1.00 0.00 H ATOM 894 N VAL A 61 -0.064 -5.112 1.348 1.00 0.00 N ATOM 895 CA VAL A 61 1.124 -5.927 1.560 1.00 0.00 C ATOM 896 C VAL A 61 1.630 -6.476 0.229 1.00 0.00 C ATOM 897 O VAL A 61 1.196 -7.538 -0.214 1.00 0.00 O ATOM 898 CB VAL A 61 0.832 -7.102 2.512 1.00 0.00 C ATOM 899 CG1 VAL A 61 2.097 -7.529 3.240 1.00 0.00 C ATOM 900 CG2 VAL A 61 -0.265 -6.730 3.499 1.00 0.00 C ATOM 901 H VAL A 61 -0.870 -5.534 0.986 1.00 0.00 H ATOM 902 HA VAL A 61 1.888 -5.305 2.003 1.00 0.00 H ATOM 903 HB VAL A 61 0.486 -7.937 1.921 1.00 0.00 H ATOM 904 HG11 VAL A 61 2.959 -7.288 2.636 1.00 0.00 H ATOM 905 HG12 VAL A 61 2.161 -7.009 4.185 1.00 0.00 H ATOM 906 HG13 VAL A 61 2.067 -8.594 3.417 1.00 0.00 H ATOM 907 HG21 VAL A 61 -1.048 -6.195 2.984 1.00 0.00 H ATOM 908 HG22 VAL A 61 -0.673 -7.629 3.939 1.00 0.00 H ATOM 909 HG23 VAL A 61 0.147 -6.105 4.278 1.00 0.00 H ATOM 910 N ALA A 62 2.535 -5.730 -0.408 1.00 0.00 N ATOM 911 CA ALA A 62 3.094 -6.117 -1.705 1.00 0.00 C ATOM 912 C ALA A 62 2.684 -7.528 -2.118 1.00 0.00 C ATOM 913 O ALA A 62 3.165 -8.516 -1.563 1.00 0.00 O ATOM 914 CB ALA A 62 4.610 -5.990 -1.703 1.00 0.00 C ATOM 915 H ALA A 62 2.825 -4.887 0.000 1.00 0.00 H ATOM 916 HA ALA A 62 2.713 -5.424 -2.438 1.00 0.00 H ATOM 917 HB1 ALA A 62 5.023 -6.596 -0.912 1.00 0.00 H ATOM 918 HB2 ALA A 62 4.999 -6.325 -2.654 1.00 0.00 H ATOM 919 HB3 ALA A 62 4.884 -4.957 -1.548 1.00 0.00 H ATOM 920 N LYS A 63 1.805 -7.606 -3.113 1.00 0.00 N ATOM 921 CA LYS A 63 1.334 -8.876 -3.635 1.00 0.00 C ATOM 922 C LYS A 63 2.511 -9.700 -4.115 1.00 0.00 C ATOM 923 O LYS A 63 2.516 -10.928 -4.026 1.00 0.00 O ATOM 924 CB LYS A 63 0.380 -8.632 -4.801 1.00 0.00 C ATOM 925 CG LYS A 63 -0.320 -9.889 -5.279 1.00 0.00 C ATOM 926 CD LYS A 63 -0.692 -9.799 -6.751 1.00 0.00 C ATOM 927 CE LYS A 63 -2.081 -9.210 -6.944 1.00 0.00 C ATOM 928 NZ LYS A 63 -2.330 -8.064 -6.027 1.00 0.00 N ATOM 929 H LYS A 63 1.479 -6.784 -3.522 1.00 0.00 H ATOM 930 HA LYS A 63 0.818 -9.405 -2.848 1.00 0.00 H ATOM 931 HB2 LYS A 63 -0.368 -7.917 -4.496 1.00 0.00 H ATOM 932 HB3 LYS A 63 0.943 -8.221 -5.629 1.00 0.00 H ATOM 933 HG2 LYS A 63 0.343 -10.730 -5.137 1.00 0.00 H ATOM 934 HG3 LYS A 63 -1.217 -10.032 -4.696 1.00 0.00 H ATOM 935 HD2 LYS A 63 0.027 -9.171 -7.256 1.00 0.00 H ATOM 936 HD3 LYS A 63 -0.669 -10.791 -7.178 1.00 0.00 H ATOM 937 HE2 LYS A 63 -2.174 -8.869 -7.964 1.00 0.00 H ATOM 938 HE3 LYS A 63 -2.815 -9.979 -6.754 1.00 0.00 H ATOM 939 HZ1 LYS A 63 -2.237 -8.370 -5.038 1.00 0.00 H ATOM 940 HZ2 LYS A 63 -1.644 -7.304 -6.209 1.00 0.00 H ATOM 941 HZ3 LYS A 63 -3.290 -7.691 -6.174 1.00 0.00 H ATOM 942 N SER A 64 3.510 -8.998 -4.622 1.00 0.00 N ATOM 943 CA SER A 64 4.712 -9.631 -5.124 1.00 0.00 C ATOM 944 C SER A 64 5.884 -8.670 -5.018 1.00 0.00 C ATOM 945 O SER A 64 5.852 -7.570 -5.570 1.00 0.00 O ATOM 946 CB SER A 64 4.517 -10.082 -6.573 1.00 0.00 C ATOM 947 OG SER A 64 3.207 -10.582 -6.779 1.00 0.00 O ATOM 948 H SER A 64 3.436 -8.018 -4.654 1.00 0.00 H ATOM 949 HA SER A 64 4.906 -10.493 -4.506 1.00 0.00 H ATOM 950 HB2 SER A 64 4.678 -9.243 -7.234 1.00 0.00 H ATOM 951 HB3 SER A 64 5.227 -10.864 -6.803 1.00 0.00 H ATOM 952 HG SER A 64 2.971 -10.490 -7.705 1.00 0.00 H ATOM 953 N TYR A 65 6.905 -9.078 -4.286 1.00 0.00 N ATOM 954 CA TYR A 65 8.074 -8.240 -4.083 1.00 0.00 C ATOM 955 C TYR A 65 9.205 -8.611 -5.023 1.00 0.00 C ATOM 956 O TYR A 65 9.294 -9.747 -5.487 1.00 0.00 O ATOM 957 CB TYR A 65 8.564 -8.380 -2.643 1.00 0.00 C ATOM 958 CG TYR A 65 8.499 -9.796 -2.112 1.00 0.00 C ATOM 959 CD1 TYR A 65 9.101 -10.844 -2.798 1.00 0.00 C ATOM 960 CD2 TYR A 65 7.836 -10.084 -0.926 1.00 0.00 C ATOM 961 CE1 TYR A 65 9.043 -12.138 -2.318 1.00 0.00 C ATOM 962 CE2 TYR A 65 7.775 -11.376 -0.438 1.00 0.00 C ATOM 963 CZ TYR A 65 8.379 -12.399 -1.138 1.00 0.00 C ATOM 964 OH TYR A 65 8.320 -13.687 -0.657 1.00 0.00 O ATOM 965 H TYR A 65 6.866 -9.957 -3.854 1.00 0.00 H ATOM 966 HA TYR A 65 7.788 -7.216 -4.260 1.00 0.00 H ATOM 967 HB2 TYR A 65 9.593 -8.052 -2.586 1.00 0.00 H ATOM 968 HB3 TYR A 65 7.957 -7.761 -2.007 1.00 0.00 H ATOM 969 HD1 TYR A 65 9.622 -10.637 -3.720 1.00 0.00 H ATOM 970 HD2 TYR A 65 7.363 -9.281 -0.380 1.00 0.00 H ATOM 971 HE1 TYR A 65 9.518 -12.939 -2.866 1.00 0.00 H ATOM 972 HE2 TYR A 65 7.255 -11.580 0.485 1.00 0.00 H ATOM 973 HH TYR A 65 7.729 -13.720 0.100 1.00 0.00 H ATOM 974 N ASN A 66 10.108 -7.665 -5.252 1.00 0.00 N ATOM 975 CA ASN A 66 11.275 -7.939 -6.081 1.00 0.00 C ATOM 976 C ASN A 66 12.488 -7.635 -5.244 1.00 0.00 C ATOM 977 O ASN A 66 13.576 -7.327 -5.732 1.00 0.00 O ATOM 978 CB ASN A 66 11.270 -7.124 -7.374 1.00 0.00 C ATOM 979 CG ASN A 66 11.575 -7.968 -8.596 1.00 0.00 C ATOM 980 OD1 ASN A 66 10.858 -8.919 -8.905 1.00 0.00 O ATOM 981 ND2 ASN A 66 12.648 -7.623 -9.299 1.00 0.00 N ATOM 982 H ASN A 66 10.017 -6.772 -4.804 1.00 0.00 H ATOM 983 HA ASN A 66 11.273 -8.989 -6.303 1.00 0.00 H ATOM 984 HB2 ASN A 66 10.297 -6.674 -7.501 1.00 0.00 H ATOM 985 HB3 ASN A 66 12.016 -6.347 -7.302 1.00 0.00 H ATOM 986 HD21 ASN A 66 13.174 -6.855 -8.994 1.00 0.00 H ATOM 987 HD22 ASN A 66 12.869 -8.151 -10.095 1.00 0.00 H ATOM 988 N ARG A 67 12.227 -7.725 -3.958 1.00 0.00 N ATOM 989 CA ARG A 67 13.194 -7.472 -2.910 1.00 0.00 C ATOM 990 C ARG A 67 14.553 -7.097 -3.467 1.00 0.00 C ATOM 991 O ARG A 67 15.192 -7.863 -4.189 1.00 0.00 O ATOM 992 CB ARG A 67 13.305 -8.690 -2.006 1.00 0.00 C ATOM 993 CG ARG A 67 13.200 -8.369 -0.523 1.00 0.00 C ATOM 994 CD ARG A 67 13.465 -9.599 0.332 1.00 0.00 C ATOM 995 NE ARG A 67 12.285 -10.002 1.094 1.00 0.00 N ATOM 996 CZ ARG A 67 11.729 -11.211 1.022 1.00 0.00 C ATOM 997 NH1 ARG A 67 12.236 -12.138 0.220 1.00 0.00 N ATOM 998 NH2 ARG A 67 10.661 -11.492 1.757 1.00 0.00 N ATOM 999 H ARG A 67 11.318 -7.973 -3.707 1.00 0.00 H ATOM 1000 HA ARG A 67 12.827 -6.644 -2.324 1.00 0.00 H ATOM 1001 HB2 ARG A 67 12.509 -9.371 -2.258 1.00 0.00 H ATOM 1002 HB3 ARG A 67 14.252 -9.166 -2.185 1.00 0.00 H ATOM 1003 HG2 ARG A 67 13.924 -7.609 -0.277 1.00 0.00 H ATOM 1004 HG3 ARG A 67 12.206 -8.004 -0.312 1.00 0.00 H ATOM 1005 HD2 ARG A 67 13.763 -10.411 -0.313 1.00 0.00 H ATOM 1006 HD3 ARG A 67 14.267 -9.376 1.020 1.00 0.00 H ATOM 1007 HE ARG A 67 11.886 -9.338 1.694 1.00 0.00 H ATOM 1008 HH11 ARG A 67 13.041 -11.936 -0.336 1.00 0.00 H ATOM 1009 HH12 ARG A 67 11.811 -13.043 0.172 1.00 0.00 H ATOM 1010 HH21 ARG A 67 10.276 -10.798 2.364 1.00 0.00 H ATOM 1011 HH22 ARG A 67 10.241 -12.398 1.703 1.00 0.00 H ATOM 1012 N VAL A 68 14.977 -5.907 -3.102 1.00 0.00 N ATOM 1013 CA VAL A 68 16.261 -5.374 -3.520 1.00 0.00 C ATOM 1014 C VAL A 68 17.062 -4.984 -2.296 1.00 0.00 C ATOM 1015 O VAL A 68 17.598 -3.878 -2.211 1.00 0.00 O ATOM 1016 CB VAL A 68 16.097 -4.147 -4.439 1.00 0.00 C ATOM 1017 CG1 VAL A 68 15.130 -4.451 -5.571 1.00 0.00 C ATOM 1018 CG2 VAL A 68 15.617 -2.939 -3.646 1.00 0.00 C ATOM 1019 H VAL A 68 14.408 -5.374 -2.514 1.00 0.00 H ATOM 1020 HA VAL A 68 16.789 -6.147 -4.057 1.00 0.00 H ATOM 1021 HB VAL A 68 17.060 -3.911 -4.869 1.00 0.00 H ATOM 1022 HG11 VAL A 68 14.973 -5.516 -5.638 1.00 0.00 H ATOM 1023 HG12 VAL A 68 14.189 -3.960 -5.373 1.00 0.00 H ATOM 1024 HG13 VAL A 68 15.536 -4.085 -6.503 1.00 0.00 H ATOM 1025 HG21 VAL A 68 15.674 -3.153 -2.589 1.00 0.00 H ATOM 1026 HG22 VAL A 68 16.237 -2.086 -3.877 1.00 0.00 H ATOM 1027 HG23 VAL A 68 14.594 -2.721 -3.911 1.00 0.00 H ATOM 1028 N THR A 69 17.111 -5.903 -1.340 1.00 0.00 N ATOM 1029 CA THR A 69 17.816 -5.683 -0.089 1.00 0.00 C ATOM 1030 C THR A 69 18.842 -4.571 -0.227 1.00 0.00 C ATOM 1031 O THR A 69 19.781 -4.662 -1.019 1.00 0.00 O ATOM 1032 CB THR A 69 18.498 -6.958 0.386 1.00 0.00 C ATOM 1033 OG1 THR A 69 17.541 -7.914 0.810 1.00 0.00 O ATOM 1034 CG2 THR A 69 19.449 -6.715 1.535 1.00 0.00 C ATOM 1035 H THR A 69 16.644 -6.751 -1.478 1.00 0.00 H ATOM 1036 HA THR A 69 17.083 -5.387 0.647 1.00 0.00 H ATOM 1037 HB THR A 69 19.061 -7.380 -0.430 1.00 0.00 H ATOM 1038 HG1 THR A 69 17.890 -8.798 0.675 1.00 0.00 H ATOM 1039 HG21 THR A 69 19.895 -5.736 1.432 1.00 0.00 H ATOM 1040 HG22 THR A 69 18.906 -6.763 2.468 1.00 0.00 H ATOM 1041 HG23 THR A 69 20.223 -7.465 1.528 1.00 0.00 H ATOM 1042 N VAL A 70 18.643 -3.522 0.547 1.00 0.00 N ATOM 1043 CA VAL A 70 19.532 -2.371 0.528 1.00 0.00 C ATOM 1044 C VAL A 70 20.171 -2.134 1.886 1.00 0.00 C ATOM 1045 O VAL A 70 20.061 -2.956 2.794 1.00 0.00 O ATOM 1046 CB VAL A 70 18.787 -1.089 0.117 1.00 0.00 C ATOM 1047 CG1 VAL A 70 18.919 -0.846 -1.379 1.00 0.00 C ATOM 1048 CG2 VAL A 70 17.324 -1.160 0.529 1.00 0.00 C ATOM 1049 H VAL A 70 17.872 -3.521 1.145 1.00 0.00 H ATOM 1050 HA VAL A 70 20.309 -2.557 -0.197 1.00 0.00 H ATOM 1051 HB VAL A 70 19.242 -0.258 0.636 1.00 0.00 H ATOM 1052 HG11 VAL A 70 19.811 -1.333 -1.746 1.00 0.00 H ATOM 1053 HG12 VAL A 70 18.055 -1.248 -1.887 1.00 0.00 H ATOM 1054 HG13 VAL A 70 18.986 0.215 -1.567 1.00 0.00 H ATOM 1055 HG21 VAL A 70 16.952 -2.161 0.371 1.00 0.00 H ATOM 1056 HG22 VAL A 70 17.232 -0.903 1.573 1.00 0.00 H ATOM 1057 HG23 VAL A 70 16.749 -0.465 -0.064 1.00 0.00 H ATOM 1058 N MET A 71 20.842 -0.995 1.994 1.00 0.00 N ATOM 1059 CA MET A 71 21.526 -0.588 3.214 1.00 0.00 C ATOM 1060 C MET A 71 21.119 -1.429 4.422 1.00 0.00 C ATOM 1061 O MET A 71 19.935 -1.675 4.654 1.00 0.00 O ATOM 1062 CB MET A 71 21.252 0.888 3.501 1.00 0.00 C ATOM 1063 CG MET A 71 19.785 1.268 3.392 1.00 0.00 C ATOM 1064 SD MET A 71 19.546 3.030 3.098 1.00 0.00 S ATOM 1065 CE MET A 71 19.716 3.678 4.759 1.00 0.00 C ATOM 1066 H MET A 71 20.885 -0.406 1.216 1.00 0.00 H ATOM 1067 HA MET A 71 22.576 -0.714 3.041 1.00 0.00 H ATOM 1068 HB2 MET A 71 21.587 1.117 4.502 1.00 0.00 H ATOM 1069 HB3 MET A 71 21.810 1.489 2.797 1.00 0.00 H ATOM 1070 HG2 MET A 71 19.345 0.718 2.573 1.00 0.00 H ATOM 1071 HG3 MET A 71 19.289 0.998 4.313 1.00 0.00 H ATOM 1072 HE1 MET A 71 20.687 3.413 5.152 1.00 0.00 H ATOM 1073 HE2 MET A 71 19.619 4.754 4.737 1.00 0.00 H ATOM 1074 HE3 MET A 71 18.946 3.260 5.390 1.00 0.00 H ATOM 1075 N GLY A 72 22.112 -1.855 5.197 1.00 0.00 N ATOM 1076 CA GLY A 72 21.844 -2.652 6.380 1.00 0.00 C ATOM 1077 C GLY A 72 21.015 -3.883 6.080 1.00 0.00 C ATOM 1078 O GLY A 72 20.336 -4.411 6.960 1.00 0.00 O ATOM 1079 H GLY A 72 23.035 -1.618 4.968 1.00 0.00 H ATOM 1080 HA2 GLY A 72 22.784 -2.963 6.810 1.00 0.00 H ATOM 1081 HA3 GLY A 72 21.316 -2.043 7.098 1.00 0.00 H ATOM 1082 N GLY A 73 21.070 -4.342 4.837 1.00 0.00 N ATOM 1083 CA GLY A 73 20.315 -5.517 4.451 1.00 0.00 C ATOM 1084 C GLY A 73 18.819 -5.282 4.485 1.00 0.00 C ATOM 1085 O GLY A 73 18.046 -6.205 4.739 1.00 0.00 O ATOM 1086 H GLY A 73 21.628 -3.881 4.176 1.00 0.00 H ATOM 1087 HA2 GLY A 73 20.602 -5.804 3.449 1.00 0.00 H ATOM 1088 HA3 GLY A 73 20.557 -6.323 5.128 1.00 0.00 H ATOM 1089 N PHE A 74 18.409 -4.046 4.220 1.00 0.00 N ATOM 1090 CA PHE A 74 16.993 -3.702 4.214 1.00 0.00 C ATOM 1091 C PHE A 74 16.258 -4.538 3.178 1.00 0.00 C ATOM 1092 O PHE A 74 16.860 -5.387 2.524 1.00 0.00 O ATOM 1093 CB PHE A 74 16.811 -2.211 3.932 1.00 0.00 C ATOM 1094 CG PHE A 74 16.954 -1.355 5.159 1.00 0.00 C ATOM 1095 CD1 PHE A 74 17.451 -1.891 6.337 1.00 0.00 C ATOM 1096 CD2 PHE A 74 16.596 -0.017 5.136 1.00 0.00 C ATOM 1097 CE1 PHE A 74 17.587 -1.109 7.468 1.00 0.00 C ATOM 1098 CE2 PHE A 74 16.730 0.770 6.264 1.00 0.00 C ATOM 1099 CZ PHE A 74 17.225 0.223 7.432 1.00 0.00 C ATOM 1100 H PHE A 74 19.073 -3.354 4.018 1.00 0.00 H ATOM 1101 HA PHE A 74 16.590 -3.929 5.186 1.00 0.00 H ATOM 1102 HB2 PHE A 74 17.555 -1.893 3.217 1.00 0.00 H ATOM 1103 HB3 PHE A 74 15.827 -2.044 3.520 1.00 0.00 H ATOM 1104 HD1 PHE A 74 17.734 -2.933 6.366 1.00 0.00 H ATOM 1105 HD2 PHE A 74 16.207 0.412 4.224 1.00 0.00 H ATOM 1106 HE1 PHE A 74 17.975 -1.540 8.380 1.00 0.00 H ATOM 1107 HE2 PHE A 74 16.447 1.812 6.233 1.00 0.00 H ATOM 1108 HZ PHE A 74 17.331 0.836 8.315 1.00 0.00 H ATOM 1109 N LYS A 75 14.956 -4.316 3.040 1.00 0.00 N ATOM 1110 CA LYS A 75 14.169 -5.080 2.081 1.00 0.00 C ATOM 1111 C LYS A 75 12.910 -4.333 1.646 1.00 0.00 C ATOM 1112 O LYS A 75 11.895 -4.344 2.344 1.00 0.00 O ATOM 1113 CB LYS A 75 13.775 -6.437 2.670 1.00 0.00 C ATOM 1114 CG LYS A 75 14.531 -6.806 3.936 1.00 0.00 C ATOM 1115 CD LYS A 75 15.652 -7.794 3.653 1.00 0.00 C ATOM 1116 CE LYS A 75 15.869 -8.738 4.825 1.00 0.00 C ATOM 1117 NZ LYS A 75 15.801 -10.165 4.409 1.00 0.00 N ATOM 1118 H LYS A 75 14.520 -3.637 3.597 1.00 0.00 H ATOM 1119 HA LYS A 75 14.789 -5.250 1.211 1.00 0.00 H ATOM 1120 HB2 LYS A 75 12.720 -6.420 2.900 1.00 0.00 H ATOM 1121 HB3 LYS A 75 13.959 -7.202 1.930 1.00 0.00 H ATOM 1122 HG2 LYS A 75 14.955 -5.915 4.369 1.00 0.00 H ATOM 1123 HG3 LYS A 75 13.841 -7.252 4.635 1.00 0.00 H ATOM 1124 HD2 LYS A 75 15.395 -8.374 2.779 1.00 0.00 H ATOM 1125 HD3 LYS A 75 16.564 -7.245 3.469 1.00 0.00 H ATOM 1126 HE2 LYS A 75 16.842 -8.543 5.252 1.00 0.00 H ATOM 1127 HE3 LYS A 75 15.108 -8.551 5.568 1.00 0.00 H ATOM 1128 HZ1 LYS A 75 14.872 -10.371 3.990 1.00 0.00 H ATOM 1129 HZ2 LYS A 75 16.540 -10.367 3.705 1.00 0.00 H ATOM 1130 HZ3 LYS A 75 15.942 -10.784 5.232 1.00 0.00 H ATOM 1131 N VAL A 76 12.975 -3.720 0.469 1.00 0.00 N ATOM 1132 CA VAL A 76 11.833 -3.000 -0.095 1.00 0.00 C ATOM 1133 C VAL A 76 10.981 -3.958 -0.868 1.00 0.00 C ATOM 1134 O VAL A 76 10.187 -3.562 -1.721 1.00 0.00 O ATOM 1135 CB VAL A 76 12.292 -1.892 -1.065 1.00 0.00 C ATOM 1136 CG1 VAL A 76 12.837 -0.697 -0.293 1.00 0.00 C ATOM 1137 CG2 VAL A 76 13.363 -2.489 -1.964 1.00 0.00 C ATOM 1138 H VAL A 76 13.806 -3.773 -0.046 1.00 0.00 H ATOM 1139 HA VAL A 76 11.264 -2.592 0.703 1.00 0.00 H ATOM 1140 HB VAL A 76 11.443 -1.558 -1.702 1.00 0.00 H ATOM 1141 HG11 VAL A 76 12.343 -0.632 0.665 1.00 0.00 H ATOM 1142 HG12 VAL A 76 13.899 -0.820 -0.143 1.00 0.00 H ATOM 1143 HG13 VAL A 76 12.656 0.208 -0.854 1.00 0.00 H ATOM 1144 HG21 VAL A 76 13.549 -3.511 -1.671 1.00 0.00 H ATOM 1145 HG22 VAL A 76 13.028 -2.472 -2.989 1.00 0.00 H ATOM 1146 HG23 VAL A 76 14.274 -1.919 -1.868 1.00 0.00 H ATOM 1147 N GLU A 77 11.187 -5.225 -0.579 1.00 0.00 N ATOM 1148 CA GLU A 77 10.477 -6.288 -1.273 1.00 0.00 C ATOM 1149 C GLU A 77 10.131 -5.772 -2.652 1.00 0.00 C ATOM 1150 O GLU A 77 9.040 -5.995 -3.170 1.00 0.00 O ATOM 1151 CB GLU A 77 9.217 -6.685 -0.499 1.00 0.00 C ATOM 1152 CG GLU A 77 9.067 -5.964 0.829 1.00 0.00 C ATOM 1153 CD GLU A 77 9.862 -6.616 1.943 1.00 0.00 C ATOM 1154 OE1 GLU A 77 10.664 -7.526 1.645 1.00 0.00 O ATOM 1155 OE2 GLU A 77 9.681 -6.218 3.113 1.00 0.00 O ATOM 1156 H GLU A 77 11.846 -5.437 0.102 1.00 0.00 H ATOM 1157 HA GLU A 77 11.137 -7.131 -1.370 1.00 0.00 H ATOM 1158 HB2 GLU A 77 8.353 -6.457 -1.102 1.00 0.00 H ATOM 1159 HB3 GLU A 77 9.243 -7.747 -0.307 1.00 0.00 H ATOM 1160 HG2 GLU A 77 9.411 -4.947 0.712 1.00 0.00 H ATOM 1161 HG3 GLU A 77 8.023 -5.959 1.106 1.00 0.00 H ATOM 1162 N ASN A 78 11.092 -5.030 -3.198 1.00 0.00 N ATOM 1163 CA ASN A 78 10.961 -4.371 -4.484 1.00 0.00 C ATOM 1164 C ASN A 78 9.549 -4.570 -4.991 1.00 0.00 C ATOM 1165 O ASN A 78 9.315 -5.137 -6.058 1.00 0.00 O ATOM 1166 CB ASN A 78 11.981 -4.908 -5.472 1.00 0.00 C ATOM 1167 CG ASN A 78 12.174 -3.986 -6.653 1.00 0.00 C ATOM 1168 OD1 ASN A 78 13.266 -3.476 -6.900 1.00 0.00 O ATOM 1169 ND2 ASN A 78 11.107 -3.764 -7.394 1.00 0.00 N ATOM 1170 H ASN A 78 11.904 -4.908 -2.699 1.00 0.00 H ATOM 1171 HA ASN A 78 11.140 -3.308 -4.318 1.00 0.00 H ATOM 1172 HB2 ASN A 78 12.928 -5.039 -4.974 1.00 0.00 H ATOM 1173 HB3 ASN A 78 11.638 -5.851 -5.833 1.00 0.00 H ATOM 1174 HD21 ASN A 78 10.266 -4.199 -7.142 1.00 0.00 H ATOM 1175 HD22 ASN A 78 11.204 -3.179 -8.159 1.00 0.00 H ATOM 1176 N HIS A 79 8.617 -4.137 -4.160 1.00 0.00 N ATOM 1177 CA HIS A 79 7.204 -4.291 -4.425 1.00 0.00 C ATOM 1178 C HIS A 79 6.859 -4.198 -5.887 1.00 0.00 C ATOM 1179 O HIS A 79 6.833 -3.127 -6.491 1.00 0.00 O ATOM 1180 CB HIS A 79 6.385 -3.306 -3.604 1.00 0.00 C ATOM 1181 CG HIS A 79 6.619 -3.509 -2.162 1.00 0.00 C ATOM 1182 ND1 HIS A 79 5.979 -2.836 -1.158 1.00 0.00 N ATOM 1183 CD2 HIS A 79 7.485 -4.348 -1.574 1.00 0.00 C ATOM 1184 CE1 HIS A 79 6.478 -3.275 0.006 1.00 0.00 C ATOM 1185 NE2 HIS A 79 7.399 -4.201 -0.192 1.00 0.00 N ATOM 1186 H HIS A 79 8.898 -3.734 -3.311 1.00 0.00 H ATOM 1187 HA HIS A 79 6.952 -5.283 -4.098 1.00 0.00 H ATOM 1188 HB2 HIS A 79 6.669 -2.296 -3.855 1.00 0.00 H ATOM 1189 HB3 HIS A 79 5.334 -3.452 -3.802 1.00 0.00 H ATOM 1190 HD1 HIS A 79 5.276 -2.166 -1.272 1.00 0.00 H ATOM 1191 HD2 HIS A 79 8.138 -5.032 -2.101 1.00 0.00 H ATOM 1192 HE1 HIS A 79 6.181 -2.906 0.974 1.00 0.00 H ATOM 1193 N THR A 80 6.563 -5.354 -6.427 1.00 0.00 N ATOM 1194 CA THR A 80 6.166 -5.476 -7.817 1.00 0.00 C ATOM 1195 C THR A 80 4.651 -5.369 -7.908 1.00 0.00 C ATOM 1196 O THR A 80 4.094 -5.079 -8.967 1.00 0.00 O ATOM 1197 CB THR A 80 6.652 -6.802 -8.392 1.00 0.00 C ATOM 1198 OG1 THR A 80 5.623 -7.774 -8.358 1.00 0.00 O ATOM 1199 CG2 THR A 80 7.843 -7.360 -7.645 1.00 0.00 C ATOM 1200 H THR A 80 6.591 -6.155 -5.854 1.00 0.00 H ATOM 1201 HA THR A 80 6.612 -4.660 -8.368 1.00 0.00 H ATOM 1202 HB THR A 80 6.946 -6.653 -9.421 1.00 0.00 H ATOM 1203 HG1 THR A 80 5.940 -8.591 -8.750 1.00 0.00 H ATOM 1204 HG21 THR A 80 8.143 -6.663 -6.876 1.00 0.00 H ATOM 1205 HG22 THR A 80 7.575 -8.302 -7.192 1.00 0.00 H ATOM 1206 HG23 THR A 80 8.661 -7.509 -8.332 1.00 0.00 H ATOM 1207 N ALA A 81 3.997 -5.592 -6.769 1.00 0.00 N ATOM 1208 CA ALA A 81 2.548 -5.511 -6.678 1.00 0.00 C ATOM 1209 C ALA A 81 2.125 -5.390 -5.220 1.00 0.00 C ATOM 1210 O ALA A 81 2.764 -5.961 -4.341 1.00 0.00 O ATOM 1211 CB ALA A 81 1.903 -6.729 -7.323 1.00 0.00 C ATOM 1212 H ALA A 81 4.511 -5.809 -5.955 1.00 0.00 H ATOM 1213 HA ALA A 81 2.225 -4.630 -7.215 1.00 0.00 H ATOM 1214 HB1 ALA A 81 2.037 -6.683 -8.394 1.00 0.00 H ATOM 1215 HB2 ALA A 81 0.849 -6.743 -7.091 1.00 0.00 H ATOM 1216 HB3 ALA A 81 2.367 -7.627 -6.940 1.00 0.00 H ATOM 1217 N CYS A 82 1.055 -4.645 -4.964 1.00 0.00 N ATOM 1218 CA CYS A 82 0.564 -4.461 -3.601 1.00 0.00 C ATOM 1219 C CYS A 82 -0.948 -4.645 -3.538 1.00 0.00 C ATOM 1220 O CYS A 82 -1.679 -4.158 -4.400 1.00 0.00 O ATOM 1221 CB CYS A 82 0.954 -3.081 -3.067 1.00 0.00 C ATOM 1222 SG CYS A 82 2.133 -3.140 -1.674 1.00 0.00 S ATOM 1223 H CYS A 82 0.586 -4.209 -5.706 1.00 0.00 H ATOM 1224 HA CYS A 82 1.027 -5.212 -2.982 1.00 0.00 H ATOM 1225 HB2 CYS A 82 1.411 -2.511 -3.863 1.00 0.00 H ATOM 1226 HB3 CYS A 82 0.066 -2.569 -2.728 1.00 0.00 H ATOM 1227 N HIS A 83 -1.411 -5.356 -2.514 1.00 0.00 N ATOM 1228 CA HIS A 83 -2.838 -5.607 -2.344 1.00 0.00 C ATOM 1229 C HIS A 83 -3.316 -5.135 -0.971 1.00 0.00 C ATOM 1230 O HIS A 83 -2.836 -5.608 0.058 1.00 0.00 O ATOM 1231 CB HIS A 83 -3.139 -7.096 -2.516 1.00 0.00 C ATOM 1232 CG HIS A 83 -2.608 -7.944 -1.404 1.00 0.00 C ATOM 1233 ND1 HIS A 83 -3.419 -8.648 -0.540 1.00 0.00 N ATOM 1234 CD2 HIS A 83 -1.336 -8.203 -1.018 1.00 0.00 C ATOM 1235 CE1 HIS A 83 -2.670 -9.303 0.329 1.00 0.00 C ATOM 1236 NE2 HIS A 83 -1.402 -9.050 0.060 1.00 0.00 N ATOM 1237 H HIS A 83 -0.780 -5.722 -1.860 1.00 0.00 H ATOM 1238 HA HIS A 83 -3.362 -5.054 -3.108 1.00 0.00 H ATOM 1239 HB2 HIS A 83 -4.208 -7.238 -2.559 1.00 0.00 H ATOM 1240 HB3 HIS A 83 -2.696 -7.441 -3.440 1.00 0.00 H ATOM 1241 HD1 HIS A 83 -4.399 -8.662 -0.558 1.00 0.00 H ATOM 1242 HD2 HIS A 83 -0.437 -7.813 -1.474 1.00 0.00 H ATOM 1243 HE1 HIS A 83 -3.033 -9.940 1.122 1.00 0.00 H ATOM 1244 HE2 HIS A 83 -0.644 -9.317 0.619 1.00 0.00 H ATOM 1245 N CYS A 84 -4.266 -4.203 -0.963 1.00 0.00 N ATOM 1246 CA CYS A 84 -4.806 -3.675 0.286 1.00 0.00 C ATOM 1247 C CYS A 84 -5.776 -4.667 0.919 1.00 0.00 C ATOM 1248 O CYS A 84 -6.697 -5.155 0.263 1.00 0.00 O ATOM 1249 CB CYS A 84 -5.513 -2.340 0.039 1.00 0.00 C ATOM 1250 SG CYS A 84 -5.798 -1.356 1.547 1.00 0.00 S ATOM 1251 H CYS A 84 -4.611 -3.865 -1.815 1.00 0.00 H ATOM 1252 HA CYS A 84 -3.980 -3.513 0.964 1.00 0.00 H ATOM 1253 HB2 CYS A 84 -4.915 -1.743 -0.632 1.00 0.00 H ATOM 1254 HB3 CYS A 84 -6.474 -2.530 -0.417 1.00 0.00 H ATOM 1255 N SER A 85 -5.563 -4.963 2.196 1.00 0.00 N ATOM 1256 CA SER A 85 -6.419 -5.898 2.915 1.00 0.00 C ATOM 1257 C SER A 85 -6.041 -5.957 4.391 1.00 0.00 C ATOM 1258 O SER A 85 -5.406 -5.044 4.917 1.00 0.00 O ATOM 1259 CB SER A 85 -6.320 -7.293 2.295 1.00 0.00 C ATOM 1260 OG SER A 85 -5.598 -7.260 1.075 1.00 0.00 O ATOM 1261 H SER A 85 -4.812 -4.543 2.666 1.00 0.00 H ATOM 1262 HA SER A 85 -7.437 -5.547 2.832 1.00 0.00 H ATOM 1263 HB2 SER A 85 -5.813 -7.955 2.981 1.00 0.00 H ATOM 1264 HB3 SER A 85 -7.314 -7.670 2.101 1.00 0.00 H ATOM 1265 HG SER A 85 -4.661 -7.162 1.260 1.00 0.00 H ATOM 1266 N THR A 86 -6.438 -7.038 5.053 1.00 0.00 N ATOM 1267 CA THR A 86 -6.142 -7.219 6.469 1.00 0.00 C ATOM 1268 C THR A 86 -4.641 -7.341 6.698 1.00 0.00 C ATOM 1269 O THR A 86 -3.885 -7.645 5.775 1.00 0.00 O ATOM 1270 CB THR A 86 -6.850 -8.464 7.006 1.00 0.00 C ATOM 1271 OG1 THR A 86 -6.005 -9.598 6.920 1.00 0.00 O ATOM 1272 CG2 THR A 86 -8.131 -8.789 6.270 1.00 0.00 C ATOM 1273 H THR A 86 -6.941 -7.731 4.578 1.00 0.00 H ATOM 1274 HA THR A 86 -6.507 -6.352 6.998 1.00 0.00 H ATOM 1275 HB THR A 86 -7.098 -8.304 8.046 1.00 0.00 H ATOM 1276 HG1 THR A 86 -5.257 -9.487 7.512 1.00 0.00 H ATOM 1277 HG21 THR A 86 -8.702 -7.884 6.125 1.00 0.00 H ATOM 1278 HG22 THR A 86 -7.894 -9.223 5.310 1.00 0.00 H ATOM 1279 HG23 THR A 86 -8.710 -9.492 6.850 1.00 0.00 H ATOM 1280 N CYS A 87 -4.216 -7.105 7.933 1.00 0.00 N ATOM 1281 CA CYS A 87 -2.805 -7.192 8.285 1.00 0.00 C ATOM 1282 C CYS A 87 -2.626 -7.883 9.631 1.00 0.00 C ATOM 1283 O CYS A 87 -1.625 -7.678 10.318 1.00 0.00 O ATOM 1284 CB CYS A 87 -2.182 -5.796 8.326 1.00 0.00 C ATOM 1285 SG CYS A 87 -3.118 -4.536 7.400 1.00 0.00 S ATOM 1286 H CYS A 87 -4.868 -6.869 8.626 1.00 0.00 H ATOM 1287 HA CYS A 87 -2.309 -7.777 7.524 1.00 0.00 H ATOM 1288 HB2 CYS A 87 -2.120 -5.468 9.353 1.00 0.00 H ATOM 1289 HB3 CYS A 87 -1.187 -5.842 7.908 1.00 0.00 H ATOM 1290 N TYR A 88 -3.607 -8.698 10.006 1.00 0.00 N ATOM 1291 CA TYR A 88 -3.561 -9.415 11.274 1.00 0.00 C ATOM 1292 C TYR A 88 -3.763 -10.913 11.068 1.00 0.00 C ATOM 1293 O TYR A 88 -4.659 -11.514 11.662 1.00 0.00 O ATOM 1294 CB TYR A 88 -4.630 -8.872 12.222 1.00 0.00 C ATOM 1295 CG TYR A 88 -5.910 -8.475 11.521 1.00 0.00 C ATOM 1296 CD1 TYR A 88 -6.669 -9.413 10.832 1.00 0.00 C ATOM 1297 CD2 TYR A 88 -6.357 -7.160 11.546 1.00 0.00 C ATOM 1298 CE1 TYR A 88 -7.837 -9.052 10.188 1.00 0.00 C ATOM 1299 CE2 TYR A 88 -7.524 -6.791 10.905 1.00 0.00 C ATOM 1300 CZ TYR A 88 -8.261 -7.740 10.227 1.00 0.00 C ATOM 1301 OH TYR A 88 -9.423 -7.376 9.586 1.00 0.00 O ATOM 1302 H TYR A 88 -4.381 -8.817 9.417 1.00 0.00 H ATOM 1303 HA TYR A 88 -2.587 -9.252 11.712 1.00 0.00 H ATOM 1304 HB2 TYR A 88 -4.873 -9.630 12.952 1.00 0.00 H ATOM 1305 HB3 TYR A 88 -4.243 -8.000 12.728 1.00 0.00 H ATOM 1306 HD1 TYR A 88 -6.335 -10.440 10.803 1.00 0.00 H ATOM 1307 HD2 TYR A 88 -5.779 -6.419 12.077 1.00 0.00 H ATOM 1308 HE1 TYR A 88 -8.414 -9.795 9.658 1.00 0.00 H ATOM 1309 HE2 TYR A 88 -7.855 -5.763 10.936 1.00 0.00 H ATOM 1310 HH TYR A 88 -9.539 -6.424 9.646 1.00 0.00 H ATOM 1311 N TYR A 89 -2.926 -11.513 10.228 1.00 0.00 N ATOM 1312 CA TYR A 89 -3.019 -12.943 9.954 1.00 0.00 C ATOM 1313 C TYR A 89 -2.012 -13.366 8.885 1.00 0.00 C ATOM 1314 O TYR A 89 -2.249 -14.316 8.138 1.00 0.00 O ATOM 1315 CB TYR A 89 -4.443 -13.309 9.522 1.00 0.00 C ATOM 1316 CG TYR A 89 -4.630 -13.401 8.023 1.00 0.00 C ATOM 1317 CD1 TYR A 89 -4.580 -12.264 7.225 1.00 0.00 C ATOM 1318 CD2 TYR A 89 -4.856 -14.625 7.407 1.00 0.00 C ATOM 1319 CE1 TYR A 89 -4.751 -12.346 5.856 1.00 0.00 C ATOM 1320 CE2 TYR A 89 -5.026 -14.716 6.039 1.00 0.00 C ATOM 1321 CZ TYR A 89 -4.973 -13.575 5.268 1.00 0.00 C ATOM 1322 OH TYR A 89 -5.142 -13.663 3.906 1.00 0.00 O ATOM 1323 H TYR A 89 -2.231 -10.983 9.785 1.00 0.00 H ATOM 1324 HA TYR A 89 -2.788 -13.466 10.870 1.00 0.00 H ATOM 1325 HB2 TYR A 89 -4.703 -14.269 9.944 1.00 0.00 H ATOM 1326 HB3 TYR A 89 -5.128 -12.561 9.897 1.00 0.00 H ATOM 1327 HD1 TYR A 89 -4.405 -11.304 7.689 1.00 0.00 H ATOM 1328 HD2 TYR A 89 -4.897 -15.517 8.014 1.00 0.00 H ATOM 1329 HE1 TYR A 89 -4.710 -11.452 5.252 1.00 0.00 H ATOM 1330 HE2 TYR A 89 -5.202 -15.677 5.580 1.00 0.00 H ATOM 1331 HH TYR A 89 -4.590 -14.369 3.560 1.00 0.00 H ATOM 1332 N HIS A 90 -0.885 -12.660 8.819 1.00 0.00 N ATOM 1333 CA HIS A 90 0.155 -12.969 7.843 1.00 0.00 C ATOM 1334 C HIS A 90 1.327 -11.998 7.960 1.00 0.00 C ATOM 1335 O HIS A 90 1.142 -10.811 8.228 1.00 0.00 O ATOM 1336 CB HIS A 90 -0.416 -12.924 6.422 1.00 0.00 C ATOM 1337 CG HIS A 90 0.605 -12.594 5.375 1.00 0.00 C ATOM 1338 ND1 HIS A 90 1.759 -13.328 5.187 1.00 0.00 N ATOM 1339 CD2 HIS A 90 0.644 -11.596 4.460 1.00 0.00 C ATOM 1340 CE1 HIS A 90 2.463 -12.794 4.205 1.00 0.00 C ATOM 1341 NE2 HIS A 90 1.808 -11.743 3.748 1.00 0.00 N ATOM 1342 H HIS A 90 -0.749 -11.917 9.443 1.00 0.00 H ATOM 1343 HA HIS A 90 0.511 -13.968 8.045 1.00 0.00 H ATOM 1344 HB2 HIS A 90 -0.838 -13.888 6.180 1.00 0.00 H ATOM 1345 HB3 HIS A 90 -1.193 -12.175 6.377 1.00 0.00 H ATOM 1346 HD1 HIS A 90 2.022 -14.123 5.697 1.00 0.00 H ATOM 1347 HD2 HIS A 90 -0.102 -10.828 4.318 1.00 0.00 H ATOM 1348 HE1 HIS A 90 3.414 -13.153 3.841 1.00 0.00 H ATOM 1349 HE2 HIS A 90 2.084 -11.192 2.985 1.00 0.00 H ATOM 1350 N LYS A 91 2.534 -12.514 7.748 1.00 0.00 N ATOM 1351 CA LYS A 91 3.741 -11.699 7.818 1.00 0.00 C ATOM 1352 C LYS A 91 4.130 -11.403 9.263 1.00 0.00 C ATOM 1353 O LYS A 91 5.084 -10.669 9.518 1.00 0.00 O ATOM 1354 CB LYS A 91 3.540 -10.388 7.056 1.00 0.00 C ATOM 1355 CG LYS A 91 4.829 -9.802 6.505 1.00 0.00 C ATOM 1356 CD LYS A 91 4.557 -8.791 5.402 1.00 0.00 C ATOM 1357 CE LYS A 91 5.805 -7.993 5.058 1.00 0.00 C ATOM 1358 NZ LYS A 91 6.498 -8.533 3.855 1.00 0.00 N ATOM 1359 H LYS A 91 2.613 -13.467 7.531 1.00 0.00 H ATOM 1360 HA LYS A 91 4.541 -12.254 7.351 1.00 0.00 H ATOM 1361 HB2 LYS A 91 2.866 -10.564 6.230 1.00 0.00 H ATOM 1362 HB3 LYS A 91 3.096 -9.663 7.723 1.00 0.00 H ATOM 1363 HG2 LYS A 91 5.362 -9.311 7.305 1.00 0.00 H ATOM 1364 HG3 LYS A 91 5.434 -10.603 6.106 1.00 0.00 H ATOM 1365 HD2 LYS A 91 4.222 -9.315 4.520 1.00 0.00 H ATOM 1366 HD3 LYS A 91 3.786 -8.110 5.734 1.00 0.00 H ATOM 1367 HE2 LYS A 91 5.521 -6.969 4.868 1.00 0.00 H ATOM 1368 HE3 LYS A 91 6.482 -8.028 5.899 1.00 0.00 H ATOM 1369 HZ1 LYS A 91 5.817 -8.669 3.081 1.00 0.00 H ATOM 1370 HZ2 LYS A 91 7.234 -7.870 3.539 1.00 0.00 H ATOM 1371 HZ3 LYS A 91 6.942 -9.447 4.077 1.00 0.00 H ATOM 1372 N SER A 92 3.391 -11.976 10.207 1.00 0.00 N ATOM 1373 CA SER A 92 3.672 -11.765 11.623 1.00 0.00 C ATOM 1374 C SER A 92 4.590 -12.856 12.164 1.00 0.00 C ATOM 1375 O SER A 92 5.453 -13.335 11.399 1.00 0.00 O ATOM 1376 CB SER A 92 2.372 -11.730 12.428 1.00 0.00 C ATOM 1377 OG SER A 92 1.245 -11.904 11.588 1.00 0.00 O ATOM 1378 OXT SER A 92 4.439 -13.221 13.349 1.00 0.00 O ATOM 1379 H SER A 92 2.642 -12.553 9.948 1.00 0.00 H ATOM 1380 HA SER A 92 4.170 -10.811 11.721 1.00 0.00 H ATOM 1381 HB2 SER A 92 2.385 -12.523 13.161 1.00 0.00 H ATOM 1382 HB3 SER A 92 2.289 -10.777 12.931 1.00 0.00 H ATOM 1383 HG SER A 92 0.487 -11.459 11.973 1.00 0.00 H TER 1384 SER A 92