USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) HEADER PROTEIN BINDING 15-NOV-01 1KEF TITLE PDZ1 OF SAP90 COMPND MOL_ID: 1; COMPND 2 MOLECULE: SYNAPSE ASSOCIATED PROTEIN-90; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PDZ1 DOMAIN; COMPND 5 SYNONYM: (SAP90), PRESYNAPTIC DENSITY PROTEIN 95, PSD-95; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS BETA-SHEET, ANTI-PARALLEL BETA-SANDWICH, GLGF LOOP, PROTEIN KEYWDS 2 BINDING EXPDTA SOLUTION NMR AUTHOR A.PISERCHIO,M.PELLEGRINI,S.MEHTA,S.M.BLACKMAN,E.P.GARCIA, AUTHOR 2 J.MARSHALL,D.F.MIERKE REVDAT 2 24-FEB-09 1KEF 1 VERSN REVDAT 1 06-MAR-02 1KEF 0 JRNL AUTH A.PISERCHIO,M.PELLEGRINI,S.MEHTA,S.M.BLACKMAN, JRNL AUTH 2 E.P.GARCIA,J.MARSHALL,D.F.MIERKE JRNL TITL THE PDZ1 DOMAIN OF SAP90. CHARACTERIZATION OF JRNL TITL 2 STRUCTURE AND BINDING. JRNL REF J.BIOL.CHEM. V. 277 6967 2002 JRNL REFN ISSN 0021-9258 JRNL PMID 11744724 JRNL DOI 10.1074/JBC.M109453200 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR CNS REMARK 3 AUTHORS : BRUENGER, A. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1KEF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-NOV-01. REMARK 100 THE RCSB ID CODE IS RCSB014866. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308 REMARK 210 PH : 6.8 REMARK 210 IONIC STRENGTH : 150 MM NACL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 1.0 MM PROTEIN, 10 MM REMARK 210 PHOSPHATE BUFFER, 150 MM NACL, REMARK 210 PH 6.8 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 3.0 REMARK 210 METHOD USED : SIMULATED ANNEALING WITH REMARK 210 TORSION ANGLE RESTRAINTS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : AVERAGE STRUCTURE FROM REMARK 210 ENSEMBLE OF 28 STRUCTURES, REMARK 210 CHOSEN BY ENERGY AND PENALTY REMARK 210 FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS A 69 CG HIS A 69 CD2 0.058 REMARK 500 REMARK 500 REMARK: NULL 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 PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 HIS A 26 ND1 - CE1 - NE2 ANGL. DEV. = 8.0 DEGREES REMARK 500 ARG A 49 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ARG A 51 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ARG A 65 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES REMARK 500 ARG A 65 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 HIS A 69 ND1 - CE1 - NE2 ANGL. DEV. = 8.5 DEGREES REMARK 500 ARG A 84 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 ARG A 89 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 ARG A 90 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 12 -139.58 70.21 REMARK 500 LEU A 14 -72.19 -121.55 REMARK 500 ASP A 23 -53.94 -123.65 REMARK 500 PRO A 25 90.98 -60.31 REMARK 500 ASP A 29 -62.24 -158.97 REMARK 500 THR A 36 -72.05 -103.43 REMARK 500 ALA A 43 -43.92 175.95 REMARK 500 ARG A 49 -35.34 -144.07 REMARK 500 PHE A 58 73.76 -162.92 REMARK 500 ASN A 60 -144.17 66.57 REMARK 500 GLU A 61 59.50 -94.68 REMARK 500 ARG A 65 -49.67 -179.15 REMARK 500 LYS A 91 -63.97 -148.50 REMARK 500 REMARK 500 REMARK: NULL DBREF 1KEF A 1 93 UNP P78352 DLG4_HUMAN 105 197 SEQRES 1 A 93 GLU TYR GLU GLU ILE THR LEU GLU ARG GLY ASN SER GLY SEQRES 2 A 93 LEU GLY PHE SER ILE ALA GLY GLY THR ASP ASN PRO HIS SEQRES 3 A 93 ILE GLY ASP ASP PRO SER ILE PHE ILE THR LYS ILE ILE SEQRES 4 A 93 PRO GLY GLY ALA ALA ALA GLN ASP GLY ARG LEU ARG VAL SEQRES 5 A 93 ASN ASP SER ILE LEU PHE VAL ASN GLU VAL ASP VAL ARG SEQRES 6 A 93 GLU VAL THR HIS SER ALA ALA VAL GLU ALA LEU LYS GLU SEQRES 7 A 93 ALA GLY SER ILE VAL ARG LEU TYR VAL MET ARG ARG LYS SEQRES 8 A 93 PRO PRO HELIX 1 1 ALA A 43 GLY A 48 1 6 HELIX 2 2 THR A 68 GLY A 80 1 13 SHEET 1 A 2 GLU A 3 LEU A 7 0 SHEET 2 A 2 VAL A 83 VAL A 87 -1 O VAL A 83 N LEU A 7 SHEET 1 B 3 PHE A 16 ALA A 19 0 SHEET 2 B 3 ILE A 33 ILE A 38 -1 O THR A 36 N SER A 17 SHEET 3 B 3 SER A 55 ILE A 56 -1 O ILE A 56 N ILE A 33 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 MET CE :methyl -136:sc= 0 (180deg=-1.06) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 22 THR OG1 : rot -100:sc= -0.0249 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 16:sc= 0.362 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -161:sc= -0.0244 (180deg=-0.218) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 53 ASN : amide:sc= -0.0943 X(o=-0.094,f=-0.094) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0601 X(o=-0.06,f=-0.53) USER MOD Single : A 68 THR OG1 : rot -120:sc= -0.292 USER MOD Single : A 69 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.68) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.175) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.004 -6.781 -17.262 1.00 5.76 N ATOM 2 CA GLU A 1 3.144 -5.858 -17.030 1.00 5.33 C ATOM 3 C GLU A 1 2.693 -4.650 -16.166 1.00 4.81 C ATOM 4 O GLU A 1 3.169 -4.486 -15.041 1.00 4.57 O ATOM 5 CB GLU A 1 3.896 -5.407 -18.325 1.00 5.64 C ATOM 6 CG GLU A 1 4.130 -6.417 -19.473 1.00 6.12 C ATOM 7 CD GLU A 1 4.965 -7.660 -19.144 1.00 6.52 C ATOM 8 OE1 GLU A 1 4.522 -8.494 -18.323 1.00 7.11 O ATOM 9 OE2 GLU A 1 6.067 -7.814 -19.715 1.00 6.53 O ATOM 0 H1 GLU A 1 2.320 -7.585 -17.841 1.00 5.76 H new ATOM 0 H2 GLU A 1 1.649 -7.131 -16.349 1.00 5.76 H new ATOM 0 H3 GLU A 1 1.243 -6.275 -17.758 1.00 5.76 H new ATOM 0 HA GLU A 1 3.889 -6.432 -16.479 1.00 5.33 H new ATOM 0 HB2 GLU A 1 3.346 -4.563 -18.742 1.00 5.64 H new ATOM 0 HB3 GLU A 1 4.872 -5.031 -18.019 1.00 5.64 H new ATOM 0 HG2 GLU A 1 3.157 -6.748 -19.837 1.00 6.12 H new ATOM 0 HG3 GLU A 1 4.615 -5.890 -20.295 1.00 6.12 H new ATOM 18 N TYR A 2 1.791 -3.815 -16.718 1.00 4.70 N ATOM 19 CA TYR A 2 1.211 -2.635 -16.038 1.00 4.26 C ATOM 20 C TYR A 2 -0.330 -2.768 -16.118 1.00 4.39 C ATOM 21 O TYR A 2 -0.901 -2.944 -17.202 1.00 4.81 O ATOM 22 CB TYR A 2 1.695 -1.324 -16.720 1.00 4.08 C ATOM 23 CG TYR A 2 3.109 -0.878 -16.319 1.00 4.05 C ATOM 24 CD1 TYR A 2 3.282 -0.166 -15.130 1.00 4.21 C ATOM 25 CD2 TYR A 2 4.226 -1.148 -17.121 1.00 4.34 C ATOM 26 CE1 TYR A 2 4.534 0.317 -14.769 1.00 4.50 C ATOM 27 CE2 TYR A 2 5.485 -0.684 -16.747 1.00 4.64 C ATOM 28 CZ TYR A 2 5.639 0.062 -15.578 1.00 4.65 C ATOM 29 OH TYR A 2 6.871 0.528 -15.208 1.00 5.18 O ATOM 0 H TYR A 2 1.437 -3.942 -17.666 1.00 4.70 H new ATOM 0 HA TYR A 2 1.531 -2.591 -14.997 1.00 4.26 H new ATOM 0 HB2 TYR A 2 1.664 -1.460 -17.801 1.00 4.08 H new ATOM 0 HB3 TYR A 2 0.994 -0.525 -16.479 1.00 4.08 H new ATOM 0 HD1 TYR A 2 2.434 0.011 -14.485 1.00 4.21 H new ATOM 0 HD2 TYR A 2 4.110 -1.717 -18.031 1.00 4.34 H new ATOM 0 HE1 TYR A 2 4.650 0.890 -13.861 1.00 4.50 H new ATOM 0 HE2 TYR A 2 6.344 -0.902 -17.364 1.00 4.64 H new ATOM 0 HH TYR A 2 7.535 0.265 -15.879 1.00 5.18 H new ATOM 39 N GLU A 3 -0.991 -2.653 -14.954 1.00 4.07 N ATOM 40 CA GLU A 3 -2.473 -2.586 -14.870 1.00 4.20 C ATOM 41 C GLU A 3 -2.832 -1.191 -14.294 1.00 3.81 C ATOM 42 O GLU A 3 -2.996 -1.009 -13.086 1.00 3.40 O ATOM 43 CB GLU A 3 -3.052 -3.783 -14.054 1.00 4.32 C ATOM 44 CG GLU A 3 -3.621 -4.937 -14.907 1.00 4.96 C ATOM 45 CD GLU A 3 -4.335 -6.047 -14.114 1.00 5.40 C ATOM 46 OE1 GLU A 3 -4.120 -6.191 -12.887 1.00 5.70 O ATOM 47 OE2 GLU A 3 -5.121 -6.797 -14.733 1.00 5.74 O ATOM 0 H GLU A 3 -0.525 -2.604 -14.048 1.00 4.07 H new ATOM 0 HA GLU A 3 -2.936 -2.688 -15.852 1.00 4.20 H new ATOM 0 HB2 GLU A 3 -2.266 -4.179 -13.411 1.00 4.32 H new ATOM 0 HB3 GLU A 3 -3.841 -3.410 -13.401 1.00 4.32 H new ATOM 0 HG2 GLU A 3 -4.322 -4.521 -15.631 1.00 4.96 H new ATOM 0 HG3 GLU A 3 -2.805 -5.385 -15.474 1.00 4.96 H new ATOM 54 N GLU A 4 -2.986 -0.202 -15.193 1.00 3.99 N ATOM 55 CA GLU A 4 -3.539 1.131 -14.844 1.00 3.77 C ATOM 56 C GLU A 4 -5.080 1.039 -14.686 1.00 3.93 C ATOM 57 O GLU A 4 -5.792 0.707 -15.640 1.00 4.39 O ATOM 58 CB GLU A 4 -3.098 2.203 -15.871 1.00 4.00 C ATOM 59 CG GLU A 4 -3.461 1.991 -17.361 1.00 4.57 C ATOM 60 CD GLU A 4 -3.090 3.177 -18.254 1.00 5.08 C ATOM 61 OE1 GLU A 4 -3.558 4.308 -17.991 1.00 5.47 O ATOM 62 OE2 GLU A 4 -2.341 2.981 -19.236 1.00 5.42 O ATOM 0 H GLU A 4 -2.734 -0.297 -16.177 1.00 3.99 H new ATOM 0 HA GLU A 4 -3.134 1.450 -13.884 1.00 3.77 H new ATOM 0 HB2 GLU A 4 -3.524 3.157 -15.558 1.00 4.00 H new ATOM 0 HB3 GLU A 4 -2.014 2.300 -15.804 1.00 4.00 H new ATOM 0 HG2 GLU A 4 -2.954 1.098 -17.727 1.00 4.57 H new ATOM 0 HG3 GLU A 4 -4.532 1.806 -17.443 1.00 4.57 H new ATOM 69 N ILE A 5 -5.575 1.289 -13.463 1.00 3.58 N ATOM 70 CA ILE A 5 -7.014 1.100 -13.132 1.00 3.72 C ATOM 71 C ILE A 5 -7.558 2.528 -12.888 1.00 3.67 C ATOM 72 O ILE A 5 -7.500 3.027 -11.761 1.00 3.35 O ATOM 73 CB ILE A 5 -7.265 0.092 -11.951 1.00 3.53 C ATOM 74 CG1 ILE A 5 -6.480 -1.245 -12.116 1.00 3.59 C ATOM 75 CG2 ILE A 5 -8.786 -0.181 -11.813 1.00 3.75 C ATOM 76 CD1 ILE A 5 -6.615 -2.275 -10.992 1.00 3.87 C ATOM 0 H ILE A 5 -5.009 1.622 -12.683 1.00 3.58 H new ATOM 0 HA ILE A 5 -7.554 0.615 -13.945 1.00 3.72 H new ATOM 0 HB ILE A 5 -6.889 0.558 -11.040 1.00 3.53 H new ATOM 0 HG12 ILE A 5 -6.802 -1.714 -13.046 1.00 3.59 H new ATOM 0 HG13 ILE A 5 -5.423 -1.005 -12.230 1.00 3.59 H new ATOM 0 HG21 ILE A 5 -8.957 -0.880 -10.994 1.00 3.75 H new ATOM 0 HG22 ILE A 5 -9.306 0.754 -11.607 1.00 3.75 H new ATOM 0 HG23 ILE A 5 -9.164 -0.610 -12.741 1.00 3.75 H new ATOM 0 HD11 ILE A 5 -6.020 -3.156 -11.232 1.00 3.87 H new ATOM 0 HD12 ILE A 5 -6.260 -1.842 -10.057 1.00 3.87 H new ATOM 0 HD13 ILE A 5 -7.661 -2.562 -10.885 1.00 3.87 H new ATOM 88 N THR A 6 -8.092 3.158 -13.956 1.00 4.04 N ATOM 89 CA THR A 6 -8.659 4.531 -13.896 1.00 4.12 C ATOM 90 C THR A 6 -10.072 4.449 -13.252 1.00 4.19 C ATOM 91 O THR A 6 -11.040 3.968 -13.849 1.00 4.54 O ATOM 92 CB THR A 6 -8.686 5.214 -15.296 1.00 4.55 C ATOM 93 OG1 THR A 6 -7.411 5.459 -15.888 1.00 4.74 O ATOM 94 CG2 THR A 6 -9.402 6.577 -15.191 1.00 5.15 C ATOM 0 H THR A 6 -8.144 2.735 -14.883 1.00 4.04 H new ATOM 0 HA THR A 6 -8.019 5.163 -13.280 1.00 4.12 H new ATOM 0 HB THR A 6 -9.204 4.499 -15.936 1.00 4.55 H new ATOM 0 HG1 THR A 6 -7.533 5.887 -16.761 1.00 4.74 H new ATOM 0 HG21 THR A 6 -9.421 7.055 -16.171 1.00 5.15 H new ATOM 0 HG22 THR A 6 -10.423 6.426 -14.842 1.00 5.15 H new ATOM 0 HG23 THR A 6 -8.868 7.215 -14.486 1.00 5.15 H new ATOM 102 N LEU A 7 -10.122 4.928 -12.008 1.00 3.90 N ATOM 103 CA LEU A 7 -11.345 4.985 -11.176 1.00 3.98 C ATOM 104 C LEU A 7 -11.772 6.482 -11.061 1.00 4.27 C ATOM 105 O LEU A 7 -11.092 7.419 -11.501 1.00 4.18 O ATOM 106 CB LEU A 7 -11.082 4.376 -9.757 1.00 3.42 C ATOM 107 CG LEU A 7 -10.285 3.047 -9.628 1.00 2.91 C ATOM 108 CD1 LEU A 7 -9.555 2.976 -8.285 1.00 2.85 C ATOM 109 CD2 LEU A 7 -11.147 1.808 -9.884 1.00 2.90 C ATOM 0 H LEU A 7 -9.299 5.298 -11.532 1.00 3.90 H new ATOM 0 HA LEU A 7 -12.140 4.398 -11.637 1.00 3.98 H new ATOM 0 HB2 LEU A 7 -10.556 5.130 -9.171 1.00 3.42 H new ATOM 0 HB3 LEU A 7 -12.051 4.222 -9.283 1.00 3.42 H new ATOM 0 HG LEU A 7 -9.533 3.048 -10.417 1.00 2.91 H new ATOM 0 HD11 LEU A 7 -9.005 2.037 -8.219 1.00 2.85 H new ATOM 0 HD12 LEU A 7 -8.859 3.811 -8.205 1.00 2.85 H new ATOM 0 HD13 LEU A 7 -10.281 3.029 -7.473 1.00 2.85 H new ATOM 0 HD21 LEU A 7 -10.536 0.912 -9.780 1.00 2.90 H new ATOM 0 HD22 LEU A 7 -11.963 1.777 -9.162 1.00 2.90 H new ATOM 0 HD23 LEU A 7 -11.557 1.852 -10.893 1.00 2.90 H new ATOM 121 N GLU A 8 -12.919 6.688 -10.413 1.00 4.69 N ATOM 122 CA GLU A 8 -13.410 8.031 -10.018 1.00 5.07 C ATOM 123 C GLU A 8 -13.295 8.240 -8.475 1.00 4.91 C ATOM 124 O GLU A 8 -12.859 7.370 -7.713 1.00 4.40 O ATOM 125 CB GLU A 8 -14.817 8.244 -10.656 1.00 5.70 C ATOM 126 CG GLU A 8 -15.894 7.177 -10.352 1.00 5.82 C ATOM 127 CD GLU A 8 -17.221 7.398 -11.079 1.00 6.31 C ATOM 128 OE1 GLU A 8 -17.248 7.322 -12.328 1.00 6.66 O ATOM 129 OE2 GLU A 8 -18.249 7.623 -10.404 1.00 6.65 O ATOM 0 H GLU A 8 -13.545 5.930 -10.141 1.00 4.69 H new ATOM 0 HA GLU A 8 -12.783 8.831 -10.412 1.00 5.07 H new ATOM 0 HB2 GLU A 8 -15.196 9.211 -10.326 1.00 5.70 H new ATOM 0 HB3 GLU A 8 -14.693 8.302 -11.737 1.00 5.70 H new ATOM 0 HG2 GLU A 8 -15.504 6.196 -10.623 1.00 5.82 H new ATOM 0 HG3 GLU A 8 -16.080 7.161 -9.278 1.00 5.82 H new ATOM 136 N ARG A 9 -13.710 9.434 -8.021 1.00 5.42 N ATOM 137 CA ARG A 9 -14.014 9.708 -6.588 1.00 5.44 C ATOM 138 C ARG A 9 -15.188 8.852 -6.034 1.00 5.57 C ATOM 139 O ARG A 9 -15.035 8.349 -4.922 1.00 5.58 O ATOM 140 CB ARG A 9 -14.199 11.247 -6.402 1.00 5.97 C ATOM 141 CG ARG A 9 -14.880 11.810 -5.130 1.00 6.33 C ATOM 142 CD ARG A 9 -16.384 12.050 -5.352 1.00 6.97 C ATOM 143 NE ARG A 9 -17.044 12.715 -4.208 1.00 7.53 N ATOM 144 CZ ARG A 9 -18.367 12.966 -4.152 1.00 8.16 C ATOM 145 NH1 ARG A 9 -19.236 12.595 -5.092 1.00 8.38 N ATOM 146 NH2 ARG A 9 -18.832 13.620 -3.106 1.00 8.76 N ATOM 0 H ARG A 9 -13.847 10.242 -8.628 1.00 5.42 H new ATOM 0 HA ARG A 9 -13.170 9.391 -5.975 1.00 5.44 H new ATOM 0 HB2 ARG A 9 -13.209 11.700 -6.464 1.00 5.97 H new ATOM 0 HB3 ARG A 9 -14.769 11.608 -7.258 1.00 5.97 H new ATOM 0 HG2 ARG A 9 -14.740 11.114 -4.303 1.00 6.33 H new ATOM 0 HG3 ARG A 9 -14.400 12.746 -4.843 1.00 6.33 H new ATOM 0 HD2 ARG A 9 -16.520 12.659 -6.246 1.00 6.97 H new ATOM 0 HD3 ARG A 9 -16.874 11.095 -5.540 1.00 6.97 H new ATOM 0 HE ARG A 9 -16.466 13.000 -3.417 1.00 7.53 H new ATOM 0 HH11 ARG A 9 -18.911 12.089 -5.916 1.00 8.38 H new ATOM 0 HH12 ARG A 9 -20.226 12.817 -4.988 1.00 8.38 H new ATOM 0 HH21 ARG A 9 -18.195 13.921 -2.368 1.00 8.76 H new ATOM 0 HH22 ARG A 9 -19.829 13.825 -3.035 1.00 8.76 H new ATOM 160 N GLY A 10 -16.326 8.738 -6.759 1.00 6.01 N ATOM 161 CA GLY A 10 -17.527 8.011 -6.294 1.00 6.55 C ATOM 162 C GLY A 10 -18.278 8.716 -5.144 1.00 6.85 C ATOM 163 O GLY A 10 -19.173 9.529 -5.382 1.00 7.51 O ATOM 0 H GLY A 10 -16.435 9.150 -7.686 1.00 6.01 H new ATOM 0 HA2 GLY A 10 -18.209 7.881 -7.134 1.00 6.55 H new ATOM 0 HA3 GLY A 10 -17.232 7.014 -5.965 1.00 6.55 H new ATOM 167 N ASN A 11 -17.870 8.391 -3.908 1.00 6.53 N ATOM 168 CA ASN A 11 -18.274 9.097 -2.666 1.00 6.87 C ATOM 169 C ASN A 11 -17.286 8.697 -1.513 1.00 6.35 C ATOM 170 O ASN A 11 -16.593 7.674 -1.561 1.00 6.61 O ATOM 171 CB ASN A 11 -19.766 8.798 -2.306 1.00 7.51 C ATOM 172 CG ASN A 11 -20.526 10.010 -1.737 1.00 8.28 C ATOM 173 OD1 ASN A 11 -21.173 10.756 -2.472 1.00 8.74 O ATOM 174 ND2 ASN A 11 -20.461 10.238 -0.435 1.00 8.66 N ATOM 0 H ASN A 11 -17.235 7.613 -3.732 1.00 6.53 H new ATOM 0 HA ASN A 11 -18.212 10.175 -2.816 1.00 6.87 H new ATOM 0 HB2 ASN A 11 -20.281 8.445 -3.199 1.00 7.51 H new ATOM 0 HB3 ASN A 11 -19.798 7.987 -1.578 1.00 7.51 H new ATOM 0 HD21 ASN A 11 -20.950 11.038 -0.032 1.00 8.66 H new ATOM 0 HD22 ASN A 11 -19.922 9.614 0.166 1.00 8.66 H new ATOM 181 N SER A 12 -17.245 9.504 -0.432 1.00 5.88 N ATOM 182 CA SER A 12 -16.542 9.162 0.845 1.00 5.55 C ATOM 183 C SER A 12 -14.981 9.170 0.697 1.00 5.14 C ATOM 184 O SER A 12 -14.445 10.049 0.011 1.00 5.46 O ATOM 185 CB SER A 12 -17.213 7.933 1.539 1.00 5.66 C ATOM 186 OG SER A 12 -17.036 7.989 2.949 1.00 5.92 O ATOM 0 H SER A 12 -17.698 10.418 -0.410 1.00 5.88 H new ATOM 0 HA SER A 12 -16.682 9.961 1.573 1.00 5.55 H new ATOM 0 HB2 SER A 12 -18.277 7.912 1.302 1.00 5.66 H new ATOM 0 HB3 SER A 12 -16.782 7.010 1.150 1.00 5.66 H new ATOM 0 HG SER A 12 -17.465 7.212 3.364 1.00 5.92 H new ATOM 192 N GLY A 13 -14.250 8.212 1.307 1.00 4.78 N ATOM 193 CA GLY A 13 -12.790 8.056 1.109 1.00 4.60 C ATOM 194 C GLY A 13 -12.448 7.462 -0.270 1.00 3.98 C ATOM 195 O GLY A 13 -12.409 8.200 -1.260 1.00 4.10 O ATOM 0 H GLY A 13 -14.652 7.527 1.948 1.00 4.78 H new ATOM 0 HA2 GLY A 13 -12.305 9.027 1.214 1.00 4.60 H new ATOM 0 HA3 GLY A 13 -12.386 7.412 1.890 1.00 4.60 H new ATOM 199 N LEU A 14 -12.229 6.139 -0.319 1.00 3.64 N ATOM 200 CA LEU A 14 -11.975 5.413 -1.589 1.00 3.17 C ATOM 201 C LEU A 14 -13.046 4.311 -1.768 1.00 2.36 C ATOM 202 O LEU A 14 -13.901 4.466 -2.630 1.00 2.27 O ATOM 203 CB LEU A 14 -10.502 4.912 -1.689 1.00 3.29 C ATOM 204 CG LEU A 14 -9.791 5.171 -3.045 1.00 3.83 C ATOM 205 CD1 LEU A 14 -8.335 4.717 -2.954 1.00 4.21 C ATOM 206 CD2 LEU A 14 -10.452 4.512 -4.265 1.00 4.08 C ATOM 0 H LEU A 14 -12.221 5.541 0.507 1.00 3.64 H new ATOM 0 HA LEU A 14 -12.077 6.094 -2.434 1.00 3.17 H new ATOM 0 HB2 LEU A 14 -9.922 5.389 -0.899 1.00 3.29 H new ATOM 0 HB3 LEU A 14 -10.488 3.840 -1.492 1.00 3.29 H new ATOM 0 HG LEU A 14 -9.869 6.245 -3.212 1.00 3.83 H new ATOM 0 HD11 LEU A 14 -7.837 4.899 -3.906 1.00 4.21 H new ATOM 0 HD12 LEU A 14 -7.828 5.275 -2.167 1.00 4.21 H new ATOM 0 HD13 LEU A 14 -8.300 3.652 -2.724 1.00 4.21 H new ATOM 0 HD21 LEU A 14 -9.881 4.752 -5.162 1.00 4.08 H new ATOM 0 HD22 LEU A 14 -10.474 3.431 -4.127 1.00 4.08 H new ATOM 0 HD23 LEU A 14 -11.471 4.885 -4.372 1.00 4.08 H new ATOM 218 N GLY A 15 -13.011 3.215 -0.999 1.00 1.95 N ATOM 219 CA GLY A 15 -13.773 1.990 -1.331 1.00 1.34 C ATOM 220 C GLY A 15 -13.054 0.761 -0.757 1.00 0.86 C ATOM 221 O GLY A 15 -13.591 0.079 0.115 1.00 0.71 O ATOM 0 H GLY A 15 -12.465 3.145 -0.141 1.00 1.95 H new ATOM 0 HA2 GLY A 15 -14.782 2.056 -0.924 1.00 1.34 H new ATOM 0 HA3 GLY A 15 -13.872 1.893 -2.412 1.00 1.34 H new ATOM 225 N PHE A 16 -11.828 0.512 -1.246 1.00 0.90 N ATOM 226 CA PHE A 16 -10.919 -0.540 -0.726 1.00 0.89 C ATOM 227 C PHE A 16 -9.991 -0.015 0.405 1.00 0.78 C ATOM 228 O PHE A 16 -9.515 1.126 0.390 1.00 0.77 O ATOM 229 CB PHE A 16 -10.074 -1.234 -1.851 1.00 1.25 C ATOM 230 CG PHE A 16 -9.546 -0.361 -2.991 1.00 1.43 C ATOM 231 CD1 PHE A 16 -8.349 0.352 -2.898 1.00 1.96 C ATOM 232 CD2 PHE A 16 -10.385 -0.161 -4.086 1.00 2.08 C ATOM 233 CE1 PHE A 16 -8.008 1.261 -3.893 1.00 2.41 C ATOM 234 CE2 PHE A 16 -10.105 0.833 -5.009 1.00 2.50 C ATOM 235 CZ PHE A 16 -8.909 1.540 -4.917 1.00 2.44 C ATOM 0 H PHE A 16 -11.429 1.038 -2.023 1.00 0.90 H new ATOM 0 HA PHE A 16 -11.576 -1.298 -0.300 1.00 0.89 H new ATOM 0 HB2 PHE A 16 -9.220 -1.718 -1.377 1.00 1.25 H new ATOM 0 HB3 PHE A 16 -10.685 -2.023 -2.289 1.00 1.25 H new ATOM 0 HD1 PHE A 16 -7.690 0.198 -2.056 1.00 1.96 H new ATOM 0 HD2 PHE A 16 -11.258 -0.784 -4.215 1.00 2.08 H new ATOM 0 HE1 PHE A 16 -7.045 1.750 -3.872 1.00 2.41 H new ATOM 0 HE2 PHE A 16 -10.810 1.058 -5.795 1.00 2.50 H new ATOM 0 HZ PHE A 16 -8.680 2.307 -5.642 1.00 2.44 H new ATOM 245 N SER A 17 -9.693 -0.929 1.345 1.00 1.27 N ATOM 246 CA SER A 17 -8.630 -0.756 2.367 1.00 1.68 C ATOM 247 C SER A 17 -7.247 -1.029 1.719 1.00 1.79 C ATOM 248 O SER A 17 -7.016 -2.094 1.145 1.00 1.83 O ATOM 249 CB SER A 17 -8.827 -1.653 3.631 1.00 2.28 C ATOM 250 OG SER A 17 -9.914 -2.573 3.549 1.00 2.49 O ATOM 0 H SER A 17 -10.185 -1.819 1.423 1.00 1.27 H new ATOM 0 HA SER A 17 -8.689 0.274 2.720 1.00 1.68 H new ATOM 0 HB2 SER A 17 -7.909 -2.213 3.809 1.00 2.28 H new ATOM 0 HB3 SER A 17 -8.980 -1.008 4.496 1.00 2.28 H new ATOM 0 HG SER A 17 -9.965 -3.094 4.378 1.00 2.49 H new ATOM 256 N ILE A 18 -6.346 -0.047 1.845 1.00 1.96 N ATOM 257 CA ILE A 18 -4.934 -0.136 1.376 1.00 2.08 C ATOM 258 C ILE A 18 -3.993 -0.409 2.582 1.00 2.67 C ATOM 259 O ILE A 18 -4.235 0.015 3.719 1.00 2.98 O ATOM 260 CB ILE A 18 -4.456 1.113 0.534 1.00 1.83 C ATOM 261 CG1 ILE A 18 -5.152 2.466 0.878 1.00 1.92 C ATOM 262 CG2 ILE A 18 -4.525 0.803 -0.977 1.00 1.39 C ATOM 263 CD1 ILE A 18 -4.529 3.737 0.293 1.00 2.12 C ATOM 0 H ILE A 18 -6.568 0.849 2.280 1.00 1.96 H new ATOM 0 HA ILE A 18 -4.885 -0.975 0.682 1.00 2.08 H new ATOM 0 HB ILE A 18 -3.419 1.275 0.828 1.00 1.83 H new ATOM 0 HG12 ILE A 18 -6.187 2.410 0.541 1.00 1.92 H new ATOM 0 HG13 ILE A 18 -5.175 2.569 1.963 1.00 1.92 H new ATOM 0 HG21 ILE A 18 -4.193 1.673 -1.543 1.00 1.39 H new ATOM 0 HG22 ILE A 18 -3.880 -0.046 -1.204 1.00 1.39 H new ATOM 0 HG23 ILE A 18 -5.552 0.562 -1.252 1.00 1.39 H new ATOM 0 HD11 ILE A 18 -5.109 4.605 0.608 1.00 2.12 H new ATOM 0 HD12 ILE A 18 -3.504 3.837 0.649 1.00 2.12 H new ATOM 0 HD13 ILE A 18 -4.531 3.675 -0.795 1.00 2.12 H new ATOM 275 N ALA A 19 -2.885 -1.109 2.284 1.00 2.86 N ATOM 276 CA ALA A 19 -1.819 -1.383 3.267 1.00 3.43 C ATOM 277 C ALA A 19 -0.733 -0.304 3.170 1.00 3.45 C ATOM 278 O ALA A 19 -0.117 -0.141 2.116 1.00 3.18 O ATOM 279 CB ALA A 19 -1.160 -2.749 3.003 1.00 3.76 C ATOM 0 H ALA A 19 -2.702 -1.500 1.360 1.00 2.86 H new ATOM 0 HA ALA A 19 -2.274 -1.385 4.258 1.00 3.43 H new ATOM 0 HB1 ALA A 19 -0.378 -2.925 3.742 1.00 3.76 H new ATOM 0 HB2 ALA A 19 -1.911 -3.535 3.075 1.00 3.76 H new ATOM 0 HB3 ALA A 19 -0.723 -2.755 2.004 1.00 3.76 H new ATOM 285 N GLY A 20 -0.440 0.367 4.290 1.00 3.87 N ATOM 286 CA GLY A 20 0.788 1.179 4.395 1.00 3.99 C ATOM 287 C GLY A 20 2.062 0.341 4.585 1.00 4.29 C ATOM 288 O GLY A 20 2.019 -0.863 4.862 1.00 4.65 O ATOM 0 H GLY A 20 -1.023 0.368 5.127 1.00 3.87 H new ATOM 0 HA2 GLY A 20 0.892 1.785 3.495 1.00 3.99 H new ATOM 0 HA3 GLY A 20 0.688 1.869 5.233 1.00 3.99 H new ATOM 292 N GLY A 21 3.195 1.024 4.441 1.00 4.23 N ATOM 293 CA GLY A 21 4.512 0.375 4.556 1.00 4.55 C ATOM 294 C GLY A 21 5.579 1.248 5.234 1.00 4.86 C ATOM 295 O GLY A 21 6.089 0.867 6.288 1.00 5.31 O ATOM 0 H GLY A 21 3.235 2.024 4.245 1.00 4.23 H new ATOM 0 HA2 GLY A 21 4.402 -0.551 5.120 1.00 4.55 H new ATOM 0 HA3 GLY A 21 4.860 0.102 3.560 1.00 4.55 H new ATOM 299 N THR A 22 5.919 2.409 4.649 1.00 4.76 N ATOM 300 CA THR A 22 6.937 3.351 5.221 1.00 5.12 C ATOM 301 C THR A 22 6.611 3.953 6.642 1.00 5.56 C ATOM 302 O THR A 22 7.547 4.326 7.354 1.00 5.94 O ATOM 303 CB THR A 22 7.258 4.460 4.166 1.00 4.98 C ATOM 304 OG1 THR A 22 7.366 3.904 2.860 1.00 4.97 O ATOM 305 CG2 THR A 22 8.542 5.271 4.390 1.00 5.42 C ATOM 0 H THR A 22 5.509 2.733 3.773 1.00 4.76 H new ATOM 0 HA THR A 22 7.822 2.748 5.423 1.00 5.12 H new ATOM 0 HB THR A 22 6.415 5.141 4.282 1.00 4.98 H new ATOM 0 HG1 THR A 22 8.312 3.790 2.630 1.00 4.97 H new ATOM 0 HG21 THR A 22 8.652 6.006 3.593 1.00 5.42 H new ATOM 0 HG22 THR A 22 8.486 5.783 5.351 1.00 5.42 H new ATOM 0 HG23 THR A 22 9.401 4.600 4.386 1.00 5.42 H new ATOM 313 N ASP A 23 5.324 4.040 7.049 1.00 5.55 N ATOM 314 CA ASP A 23 4.877 4.604 8.355 1.00 5.99 C ATOM 315 C ASP A 23 4.030 3.563 9.142 1.00 6.14 C ATOM 316 O ASP A 23 4.372 3.298 10.299 1.00 6.60 O ATOM 317 CB ASP A 23 4.117 5.947 8.158 1.00 5.94 C ATOM 318 CG ASP A 23 4.034 6.850 9.394 1.00 6.34 C ATOM 319 OD1 ASP A 23 3.321 6.496 10.359 1.00 6.75 O ATOM 320 OD2 ASP A 23 4.670 7.927 9.396 1.00 6.46 O ATOM 0 H ASP A 23 4.548 3.716 6.472 1.00 5.55 H new ATOM 0 HA ASP A 23 5.761 4.826 8.953 1.00 5.99 H new ATOM 0 HB2 ASP A 23 4.602 6.503 7.356 1.00 5.94 H new ATOM 0 HB3 ASP A 23 3.103 5.724 7.824 1.00 5.94 H new ATOM 325 N ASN A 24 2.951 2.986 8.555 1.00 5.80 N ATOM 326 CA ASN A 24 2.132 1.943 9.226 1.00 5.95 C ATOM 327 C ASN A 24 2.241 0.612 8.413 1.00 5.70 C ATOM 328 O ASN A 24 1.370 0.395 7.566 1.00 5.25 O ATOM 329 CB ASN A 24 0.674 2.466 9.389 1.00 5.85 C ATOM 330 CG ASN A 24 -0.140 1.819 10.524 1.00 6.20 C ATOM 331 OD1 ASN A 24 -0.120 2.292 11.659 1.00 6.70 O ATOM 332 ND2 ASN A 24 -0.878 0.753 10.255 1.00 6.13 N ATOM 0 H ASN A 24 2.627 3.225 7.618 1.00 5.80 H new ATOM 0 HA ASN A 24 2.497 1.727 10.230 1.00 5.95 H new ATOM 0 HB2 ASN A 24 0.710 3.542 9.559 1.00 5.85 H new ATOM 0 HB3 ASN A 24 0.143 2.309 8.450 1.00 5.85 H new ATOM 0 HD21 ASN A 24 -1.435 0.319 10.991 1.00 6.13 H new ATOM 0 HD22 ASN A 24 -0.890 0.366 9.311 1.00 6.13 H new ATOM 339 N PRO A 25 3.232 -0.310 8.646 1.00 6.09 N ATOM 340 CA PRO A 25 3.288 -1.646 7.994 1.00 6.04 C ATOM 341 C PRO A 25 2.068 -2.578 8.270 1.00 5.93 C ATOM 342 O PRO A 25 2.043 -3.368 9.219 1.00 6.31 O ATOM 343 CB PRO A 25 4.624 -2.245 8.487 1.00 6.65 C ATOM 344 CG PRO A 25 5.473 -1.071 8.956 1.00 7.02 C ATOM 345 CD PRO A 25 4.474 0.005 9.377 1.00 6.71 C ATOM 0 HA PRO A 25 3.236 -1.545 6.910 1.00 6.04 H new ATOM 0 HB2 PRO A 25 4.456 -2.952 9.299 1.00 6.65 H new ATOM 0 HB3 PRO A 25 5.124 -2.791 7.687 1.00 6.65 H new ATOM 0 HG2 PRO A 25 6.116 -1.358 9.788 1.00 7.02 H new ATOM 0 HG3 PRO A 25 6.124 -0.713 8.159 1.00 7.02 H new ATOM 0 HD2 PRO A 25 4.311 -0.010 10.455 1.00 6.71 H new ATOM 0 HD3 PRO A 25 4.838 1.001 9.123 1.00 6.71 H new ATOM 353 N HIS A 26 1.065 -2.482 7.385 1.00 5.46 N ATOM 354 CA HIS A 26 -0.076 -3.437 7.316 1.00 5.36 C ATOM 355 C HIS A 26 0.346 -4.861 6.827 1.00 5.53 C ATOM 356 O HIS A 26 -0.104 -5.854 7.403 1.00 5.79 O ATOM 357 CB HIS A 26 -1.184 -2.823 6.409 1.00 4.85 C ATOM 358 CG HIS A 26 -2.515 -2.494 7.071 1.00 4.70 C ATOM 359 ND1 HIS A 26 -2.803 -1.310 7.734 1.00 5.18 N ATOM 360 CD2 HIS A 26 -3.671 -3.292 6.978 1.00 4.36 C ATOM 361 CE1 HIS A 26 -4.129 -1.514 8.015 1.00 4.95 C ATOM 362 NE2 HIS A 26 -4.736 -2.672 7.604 1.00 4.45 N ATOM 0 H HIS A 26 1.013 -1.739 6.688 1.00 5.46 H new ATOM 0 HA HIS A 26 -0.462 -3.585 8.325 1.00 5.36 H new ATOM 0 HB2 HIS A 26 -0.791 -1.908 5.966 1.00 4.85 H new ATOM 0 HB3 HIS A 26 -1.375 -3.517 5.591 1.00 4.85 H new ATOM 0 HD2 HIS A 26 -3.719 -4.253 6.487 1.00 4.36 H new ATOM 0 HE1 HIS A 26 -4.691 -0.768 8.556 1.00 4.95 H new ATOM 0 HE2 HIS A 26 -5.699 -2.986 7.725 1.00 4.45 H new ATOM 371 N ILE A 27 1.209 -4.942 5.790 1.00 5.46 N ATOM 372 CA ILE A 27 1.874 -6.201 5.358 1.00 5.70 C ATOM 373 C ILE A 27 3.252 -6.313 6.093 1.00 6.12 C ATOM 374 O ILE A 27 3.942 -5.315 6.340 1.00 6.26 O ATOM 375 CB ILE A 27 1.998 -6.233 3.790 1.00 5.55 C ATOM 376 CG1 ILE A 27 0.663 -6.054 3.007 1.00 5.76 C ATOM 377 CG2 ILE A 27 2.715 -7.492 3.239 1.00 5.43 C ATOM 378 CD1 ILE A 27 -0.522 -6.960 3.382 1.00 5.95 C ATOM 0 H ILE A 27 1.468 -4.134 5.224 1.00 5.46 H new ATOM 0 HA ILE A 27 1.282 -7.074 5.632 1.00 5.70 H new ATOM 0 HB ILE A 27 2.614 -5.352 3.610 1.00 5.55 H new ATOM 0 HG12 ILE A 27 0.343 -5.019 3.126 1.00 5.76 H new ATOM 0 HG13 ILE A 27 0.875 -6.202 1.948 1.00 5.76 H new ATOM 0 HG21 ILE A 27 2.760 -7.438 2.151 1.00 5.43 H new ATOM 0 HG22 ILE A 27 3.727 -7.540 3.642 1.00 5.43 H new ATOM 0 HG23 ILE A 27 2.163 -8.384 3.536 1.00 5.43 H new ATOM 0 HD11 ILE A 27 -1.378 -6.718 2.752 1.00 5.95 H new ATOM 0 HD12 ILE A 27 -0.244 -8.003 3.232 1.00 5.95 H new ATOM 0 HD13 ILE A 27 -0.785 -6.801 4.428 1.00 5.95 H new ATOM 390 N GLY A 28 3.650 -7.562 6.394 1.00 6.41 N ATOM 391 CA GLY A 28 5.006 -7.868 6.905 1.00 6.90 C ATOM 392 C GLY A 28 5.940 -8.408 5.805 1.00 6.92 C ATOM 393 O GLY A 28 6.203 -9.613 5.759 1.00 7.38 O ATOM 0 H GLY A 28 3.052 -8.382 6.293 1.00 6.41 H new ATOM 0 HA2 GLY A 28 5.441 -6.966 7.337 1.00 6.90 H new ATOM 0 HA3 GLY A 28 4.932 -8.602 7.708 1.00 6.90 H new ATOM 397 N ASP A 29 6.436 -7.509 4.932 1.00 6.63 N ATOM 398 CA ASP A 29 7.369 -7.874 3.829 1.00 6.82 C ATOM 399 C ASP A 29 8.164 -6.624 3.343 1.00 6.47 C ATOM 400 O ASP A 29 9.395 -6.629 3.434 1.00 6.86 O ATOM 401 CB ASP A 29 6.669 -8.652 2.662 1.00 6.86 C ATOM 402 CG ASP A 29 7.387 -9.942 2.245 1.00 7.26 C ATOM 403 OD1 ASP A 29 7.361 -10.922 3.023 1.00 7.86 O ATOM 404 OD2 ASP A 29 7.972 -9.986 1.140 1.00 7.20 O ATOM 0 H ASP A 29 6.208 -6.515 4.964 1.00 6.63 H new ATOM 0 HA ASP A 29 8.092 -8.581 4.235 1.00 6.82 H new ATOM 0 HB2 ASP A 29 5.651 -8.898 2.964 1.00 6.86 H new ATOM 0 HB3 ASP A 29 6.595 -7.995 1.796 1.00 6.86 H new ATOM 409 N ASP A 30 7.481 -5.584 2.808 1.00 5.89 N ATOM 410 CA ASP A 30 8.139 -4.424 2.134 1.00 5.68 C ATOM 411 C ASP A 30 7.380 -3.071 2.387 1.00 5.15 C ATOM 412 O ASP A 30 6.207 -3.102 2.786 1.00 5.13 O ATOM 413 CB ASP A 30 8.279 -4.741 0.605 1.00 6.09 C ATOM 414 CG ASP A 30 9.727 -4.929 0.125 1.00 6.70 C ATOM 415 OD1 ASP A 30 10.468 -5.747 0.715 1.00 7.18 O ATOM 416 OD2 ASP A 30 10.130 -4.255 -0.849 1.00 6.98 O ATOM 0 H ASP A 30 6.463 -5.519 2.828 1.00 5.89 H new ATOM 0 HA ASP A 30 9.130 -4.284 2.566 1.00 5.68 H new ATOM 0 HB2 ASP A 30 7.715 -5.646 0.381 1.00 6.09 H new ATOM 0 HB3 ASP A 30 7.823 -3.932 0.035 1.00 6.09 H new ATOM 421 N PRO A 31 7.974 -1.858 2.139 1.00 5.01 N ATOM 422 CA PRO A 31 7.254 -0.560 2.250 1.00 4.81 C ATOM 423 C PRO A 31 6.224 -0.183 1.122 1.00 4.17 C ATOM 424 O PRO A 31 5.539 0.836 1.255 1.00 3.98 O ATOM 425 CB PRO A 31 8.416 0.443 2.329 1.00 5.26 C ATOM 426 CG PRO A 31 9.497 -0.165 1.440 1.00 5.53 C ATOM 427 CD PRO A 31 9.354 -1.677 1.643 1.00 5.41 C ATOM 0 HA PRO A 31 6.578 -0.583 3.105 1.00 4.81 H new ATOM 0 HB2 PRO A 31 8.116 1.429 1.973 1.00 5.26 H new ATOM 0 HB3 PRO A 31 8.766 0.567 3.354 1.00 5.26 H new ATOM 0 HG2 PRO A 31 9.353 0.111 0.395 1.00 5.53 H new ATOM 0 HG3 PRO A 31 10.489 0.182 1.728 1.00 5.53 H new ATOM 0 HD2 PRO A 31 9.514 -2.219 0.711 1.00 5.41 H new ATOM 0 HD3 PRO A 31 10.085 -2.052 2.359 1.00 5.41 H new ATOM 435 N SER A 32 6.100 -0.992 0.044 1.00 4.00 N ATOM 436 CA SER A 32 5.077 -0.824 -1.024 1.00 3.41 C ATOM 437 C SER A 32 3.607 -0.924 -0.523 1.00 3.28 C ATOM 438 O SER A 32 3.332 -1.439 0.568 1.00 3.62 O ATOM 439 CB SER A 32 5.373 -1.870 -2.134 1.00 3.28 C ATOM 440 OG SER A 32 6.243 -1.329 -3.118 1.00 3.17 O ATOM 0 H SER A 32 6.714 -1.791 -0.114 1.00 4.00 H new ATOM 0 HA SER A 32 5.157 0.191 -1.412 1.00 3.41 H new ATOM 0 HB2 SER A 32 5.824 -2.758 -1.692 1.00 3.28 H new ATOM 0 HB3 SER A 32 4.440 -2.185 -2.601 1.00 3.28 H new ATOM 0 HG SER A 32 6.675 -0.523 -2.765 1.00 3.17 H new ATOM 446 N ILE A 33 2.673 -0.381 -1.330 1.00 2.81 N ATOM 447 CA ILE A 33 1.259 -0.186 -0.902 1.00 2.65 C ATOM 448 C ILE A 33 0.399 -1.324 -1.485 1.00 2.41 C ATOM 449 O ILE A 33 0.057 -1.295 -2.663 1.00 2.04 O ATOM 450 CB ILE A 33 0.710 1.243 -1.253 1.00 2.35 C ATOM 451 CG1 ILE A 33 1.627 2.403 -0.787 1.00 2.68 C ATOM 452 CG2 ILE A 33 -0.724 1.499 -0.711 1.00 2.69 C ATOM 453 CD1 ILE A 33 2.067 2.291 0.675 1.00 3.40 C ATOM 0 H ILE A 33 2.865 -0.068 -2.282 1.00 2.81 H new ATOM 0 HA ILE A 33 1.209 -0.236 0.186 1.00 2.65 H new ATOM 0 HB ILE A 33 0.687 1.239 -2.343 1.00 2.35 H new ATOM 0 HG12 ILE A 33 2.512 2.432 -1.422 1.00 2.68 H new ATOM 0 HG13 ILE A 33 1.102 3.348 -0.928 1.00 2.68 H new ATOM 0 HG21 ILE A 33 -1.044 2.504 -0.988 1.00 2.69 H new ATOM 0 HG22 ILE A 33 -1.411 0.769 -1.139 1.00 2.69 H new ATOM 0 HG23 ILE A 33 -0.725 1.404 0.375 1.00 2.69 H new ATOM 0 HD11 ILE A 33 2.706 3.137 0.929 1.00 3.40 H new ATOM 0 HD12 ILE A 33 1.189 2.293 1.320 1.00 3.40 H new ATOM 0 HD13 ILE A 33 2.620 1.363 0.818 1.00 3.40 H new ATOM 465 N PHE A 34 0.032 -2.299 -0.645 1.00 2.72 N ATOM 466 CA PHE A 34 -0.651 -3.537 -1.099 1.00 2.70 C ATOM 467 C PHE A 34 -2.138 -3.436 -0.713 1.00 2.50 C ATOM 468 O PHE A 34 -2.491 -3.431 0.467 1.00 2.66 O ATOM 469 CB PHE A 34 -0.027 -4.806 -0.460 1.00 3.30 C ATOM 470 CG PHE A 34 1.448 -5.091 -0.799 1.00 3.36 C ATOM 471 CD1 PHE A 34 2.466 -4.437 -0.096 1.00 3.76 C ATOM 472 CD2 PHE A 34 1.787 -5.987 -1.816 1.00 3.45 C ATOM 473 CE1 PHE A 34 3.799 -4.636 -0.438 1.00 3.85 C ATOM 474 CE2 PHE A 34 3.124 -6.199 -2.147 1.00 3.59 C ATOM 475 CZ PHE A 34 4.128 -5.511 -1.469 1.00 3.60 C ATOM 0 H PHE A 34 0.194 -2.263 0.361 1.00 2.72 H new ATOM 0 HA PHE A 34 -0.535 -3.628 -2.179 1.00 2.70 H new ATOM 0 HB2 PHE A 34 -0.118 -4.723 0.623 1.00 3.30 H new ATOM 0 HB3 PHE A 34 -0.620 -5.668 -0.765 1.00 3.30 H new ATOM 0 HD1 PHE A 34 2.215 -3.773 0.718 1.00 3.76 H new ATOM 0 HD2 PHE A 34 1.010 -6.517 -2.347 1.00 3.45 H new ATOM 0 HE1 PHE A 34 4.578 -4.112 0.096 1.00 3.85 H new ATOM 0 HE2 PHE A 34 3.382 -6.897 -2.930 1.00 3.59 H new ATOM 0 HZ PHE A 34 5.162 -5.657 -1.744 1.00 3.60 H new ATOM 485 N ILE A 35 -3.031 -3.420 -1.708 1.00 2.23 N ATOM 486 CA ILE A 35 -4.501 -3.360 -1.468 1.00 2.05 C ATOM 487 C ILE A 35 -4.956 -4.685 -0.771 1.00 2.47 C ATOM 488 O ILE A 35 -4.456 -5.766 -1.078 1.00 2.79 O ATOM 489 CB ILE A 35 -5.283 -3.023 -2.782 1.00 1.71 C ATOM 490 CG1 ILE A 35 -4.765 -1.761 -3.547 1.00 1.41 C ATOM 491 CG2 ILE A 35 -6.790 -2.805 -2.493 1.00 1.45 C ATOM 492 CD1 ILE A 35 -4.954 -1.833 -5.062 1.00 1.55 C ATOM 0 H ILE A 35 -2.774 -3.447 -2.695 1.00 2.23 H new ATOM 0 HA ILE A 35 -4.740 -2.540 -0.791 1.00 2.05 H new ATOM 0 HB ILE A 35 -5.115 -3.892 -3.418 1.00 1.71 H new ATOM 0 HG12 ILE A 35 -5.283 -0.880 -3.168 1.00 1.41 H new ATOM 0 HG13 ILE A 35 -3.706 -1.626 -3.329 1.00 1.41 H new ATOM 0 HG21 ILE A 35 -7.309 -2.572 -3.423 1.00 1.45 H new ATOM 0 HG22 ILE A 35 -7.212 -3.711 -2.059 1.00 1.45 H new ATOM 0 HG23 ILE A 35 -6.910 -1.978 -1.794 1.00 1.45 H new ATOM 0 HD11 ILE A 35 -4.570 -0.922 -5.520 1.00 1.55 H new ATOM 0 HD12 ILE A 35 -4.412 -2.693 -5.456 1.00 1.55 H new ATOM 0 HD13 ILE A 35 -6.014 -1.936 -5.292 1.00 1.55 H new ATOM 504 N THR A 36 -5.838 -4.573 0.227 1.00 2.51 N ATOM 505 CA THR A 36 -6.279 -5.721 1.064 1.00 2.90 C ATOM 506 C THR A 36 -7.696 -6.157 0.612 1.00 2.98 C ATOM 507 O THR A 36 -7.823 -7.231 0.021 1.00 3.29 O ATOM 508 CB THR A 36 -6.147 -5.401 2.585 1.00 3.21 C ATOM 509 OG1 THR A 36 -4.802 -5.257 3.032 1.00 3.61 O ATOM 510 CG2 THR A 36 -6.786 -6.533 3.409 1.00 3.72 C ATOM 0 H THR A 36 -6.274 -3.688 0.487 1.00 2.51 H new ATOM 0 HA THR A 36 -5.622 -6.578 0.915 1.00 2.90 H new ATOM 0 HB THR A 36 -6.652 -4.446 2.728 1.00 3.21 H new ATOM 0 HG1 THR A 36 -4.796 -5.056 3.991 1.00 3.61 H new ATOM 0 HG21 THR A 36 -6.693 -6.307 4.471 1.00 3.72 H new ATOM 0 HG22 THR A 36 -7.841 -6.622 3.148 1.00 3.72 H new ATOM 0 HG23 THR A 36 -6.278 -7.473 3.192 1.00 3.72 H new ATOM 518 N LYS A 37 -8.737 -5.357 0.914 1.00 2.81 N ATOM 519 CA LYS A 37 -10.150 -5.740 0.675 1.00 2.96 C ATOM 520 C LYS A 37 -10.901 -4.622 -0.084 1.00 2.66 C ATOM 521 O LYS A 37 -10.592 -3.446 0.074 1.00 2.45 O ATOM 522 CB LYS A 37 -10.824 -6.048 2.038 1.00 3.25 C ATOM 523 CG LYS A 37 -12.108 -6.901 1.910 1.00 3.95 C ATOM 524 CD LYS A 37 -13.443 -6.184 2.235 1.00 4.54 C ATOM 525 CE LYS A 37 -14.217 -6.748 3.443 1.00 5.35 C ATOM 526 NZ LYS A 37 -14.534 -8.184 3.301 1.00 5.77 N ATOM 0 H LYS A 37 -8.628 -4.431 1.328 1.00 2.81 H new ATOM 0 HA LYS A 37 -10.187 -6.632 0.050 1.00 2.96 H new ATOM 0 HB2 LYS A 37 -10.112 -6.570 2.677 1.00 3.25 H new ATOM 0 HB3 LYS A 37 -11.069 -5.109 2.534 1.00 3.25 H new ATOM 0 HG2 LYS A 37 -12.164 -7.284 0.891 1.00 3.95 H new ATOM 0 HG3 LYS A 37 -12.013 -7.763 2.570 1.00 3.95 H new ATOM 0 HD2 LYS A 37 -13.235 -5.130 2.418 1.00 4.54 H new ATOM 0 HD3 LYS A 37 -14.086 -6.234 1.357 1.00 4.54 H new ATOM 0 HE2 LYS A 37 -13.628 -6.599 4.348 1.00 5.35 H new ATOM 0 HE3 LYS A 37 -15.143 -6.187 3.569 1.00 5.35 H new ATOM 0 HZ1 LYS A 37 -15.306 -8.435 3.951 1.00 5.77 H new ATOM 0 HZ2 LYS A 37 -14.828 -8.380 2.323 1.00 5.77 H new ATOM 0 HZ3 LYS A 37 -13.692 -8.750 3.529 1.00 5.77 H new ATOM 540 N ILE A 38 -11.918 -5.017 -0.862 1.00 2.90 N ATOM 541 CA ILE A 38 -12.793 -4.103 -1.648 1.00 2.88 C ATOM 542 C ILE A 38 -14.184 -4.042 -0.945 1.00 2.85 C ATOM 543 O ILE A 38 -14.944 -5.014 -0.977 1.00 3.42 O ATOM 544 CB ILE A 38 -12.809 -4.512 -3.171 1.00 3.46 C ATOM 545 CG1 ILE A 38 -13.778 -3.620 -3.999 1.00 3.95 C ATOM 546 CG2 ILE A 38 -13.070 -6.022 -3.431 1.00 3.90 C ATOM 547 CD1 ILE A 38 -13.715 -3.732 -5.534 1.00 4.64 C ATOM 0 H ILE A 38 -12.170 -5.999 -0.972 1.00 2.90 H new ATOM 0 HA ILE A 38 -12.408 -3.083 -1.663 1.00 2.88 H new ATOM 0 HB ILE A 38 -11.792 -4.331 -3.518 1.00 3.46 H new ATOM 0 HG12 ILE A 38 -14.797 -3.851 -3.687 1.00 3.95 H new ATOM 0 HG13 ILE A 38 -13.590 -2.581 -3.730 1.00 3.95 H new ATOM 0 HG21 ILE A 38 -13.064 -6.213 -4.504 1.00 3.90 H new ATOM 0 HG22 ILE A 38 -12.290 -6.614 -2.953 1.00 3.90 H new ATOM 0 HG23 ILE A 38 -14.040 -6.300 -3.019 1.00 3.90 H new ATOM 0 HD11 ILE A 38 -14.444 -3.055 -5.978 1.00 4.64 H new ATOM 0 HD12 ILE A 38 -12.716 -3.465 -5.878 1.00 4.64 H new ATOM 0 HD13 ILE A 38 -13.941 -4.755 -5.834 1.00 4.64 H new ATOM 559 N ILE A 39 -14.515 -2.879 -0.344 1.00 2.44 N ATOM 560 CA ILE A 39 -15.835 -2.652 0.320 1.00 2.56 C ATOM 561 C ILE A 39 -16.823 -2.038 -0.747 1.00 2.23 C ATOM 562 O ILE A 39 -16.429 -1.062 -1.399 1.00 2.28 O ATOM 563 CB ILE A 39 -15.775 -1.772 1.631 1.00 2.91 C ATOM 564 CG1 ILE A 39 -14.577 -2.099 2.578 1.00 3.40 C ATOM 565 CG2 ILE A 39 -17.118 -1.866 2.408 1.00 3.46 C ATOM 566 CD1 ILE A 39 -14.407 -1.229 3.840 1.00 3.95 C ATOM 0 H ILE A 39 -13.889 -2.074 -0.300 1.00 2.44 H new ATOM 0 HA ILE A 39 -16.194 -3.619 0.674 1.00 2.56 H new ATOM 0 HB ILE A 39 -15.608 -0.750 1.289 1.00 2.91 H new ATOM 0 HG12 ILE A 39 -14.674 -3.137 2.896 1.00 3.40 H new ATOM 0 HG13 ILE A 39 -13.659 -2.028 1.995 1.00 3.40 H new ATOM 0 HG21 ILE A 39 -17.061 -1.254 3.309 1.00 3.46 H new ATOM 0 HG22 ILE A 39 -17.930 -1.506 1.776 1.00 3.46 H new ATOM 0 HG23 ILE A 39 -17.306 -2.903 2.685 1.00 3.46 H new ATOM 0 HD11 ILE A 39 -13.537 -1.569 4.402 1.00 3.95 H new ATOM 0 HD12 ILE A 39 -14.267 -0.188 3.548 1.00 3.95 H new ATOM 0 HD13 ILE A 39 -15.297 -1.314 4.463 1.00 3.95 H new ATOM 578 N PRO A 40 -18.102 -2.509 -0.920 1.00 2.52 N ATOM 579 CA PRO A 40 -19.098 -1.909 -1.854 1.00 2.67 C ATOM 580 C PRO A 40 -19.319 -0.374 -1.778 1.00 2.17 C ATOM 581 O PRO A 40 -19.189 0.243 -0.715 1.00 2.23 O ATOM 582 CB PRO A 40 -20.414 -2.656 -1.538 1.00 3.47 C ATOM 583 CG PRO A 40 -20.120 -3.637 -0.405 1.00 3.95 C ATOM 584 CD PRO A 40 -18.604 -3.763 -0.329 1.00 3.30 C ATOM 0 HA PRO A 40 -18.722 -2.028 -2.870 1.00 2.67 H new ATOM 0 HB2 PRO A 40 -21.194 -1.953 -1.245 1.00 3.47 H new ATOM 0 HB3 PRO A 40 -20.777 -3.185 -2.419 1.00 3.47 H new ATOM 0 HG2 PRO A 40 -20.527 -3.274 0.539 1.00 3.95 H new ATOM 0 HG3 PRO A 40 -20.581 -4.605 -0.600 1.00 3.95 H new ATOM 0 HD2 PRO A 40 -18.266 -3.880 0.701 1.00 3.30 H new ATOM 0 HD3 PRO A 40 -18.249 -4.633 -0.882 1.00 3.30 H new ATOM 592 N GLY A 41 -19.629 0.220 -2.943 1.00 2.45 N ATOM 593 CA GLY A 41 -19.699 1.688 -3.096 1.00 2.71 C ATOM 594 C GLY A 41 -18.341 2.402 -2.941 1.00 2.62 C ATOM 595 O GLY A 41 -17.269 1.782 -2.929 1.00 2.97 O ATOM 0 H GLY A 41 -19.837 -0.295 -3.798 1.00 2.45 H new ATOM 0 HA2 GLY A 41 -20.110 1.921 -4.078 1.00 2.71 H new ATOM 0 HA3 GLY A 41 -20.394 2.087 -2.357 1.00 2.71 H new ATOM 599 N GLY A 42 -18.420 3.731 -2.821 1.00 2.71 N ATOM 600 CA GLY A 42 -17.221 4.560 -2.600 1.00 2.88 C ATOM 601 C GLY A 42 -16.451 4.982 -3.869 1.00 3.12 C ATOM 602 O GLY A 42 -16.119 6.152 -3.985 1.00 3.66 O ATOM 0 H GLY A 42 -19.293 4.257 -2.872 1.00 2.71 H new ATOM 0 HA2 GLY A 42 -17.519 5.460 -2.063 1.00 2.88 H new ATOM 0 HA3 GLY A 42 -16.539 4.012 -1.950 1.00 2.88 H new ATOM 606 N ALA A 43 -16.052 4.035 -4.733 1.00 2.88 N ATOM 607 CA ALA A 43 -15.159 4.268 -5.912 1.00 3.19 C ATOM 608 C ALA A 43 -14.820 2.932 -6.637 1.00 2.98 C ATOM 609 O ALA A 43 -14.810 2.881 -7.869 1.00 3.40 O ATOM 610 CB ALA A 43 -13.814 4.962 -5.627 1.00 3.26 C ATOM 0 H ALA A 43 -16.340 3.061 -4.642 1.00 2.88 H new ATOM 0 HA ALA A 43 -15.755 4.946 -6.523 1.00 3.19 H new ATOM 0 HB1 ALA A 43 -13.258 5.074 -6.558 1.00 3.26 H new ATOM 0 HB2 ALA A 43 -13.997 5.945 -5.193 1.00 3.26 H new ATOM 0 HB3 ALA A 43 -13.234 4.359 -4.929 1.00 3.26 H new ATOM 616 N ALA A 44 -14.497 1.871 -5.873 1.00 2.47 N ATOM 617 CA ALA A 44 -14.218 0.516 -6.397 1.00 2.51 C ATOM 618 C ALA A 44 -15.400 -0.233 -7.082 1.00 3.01 C ATOM 619 O ALA A 44 -15.178 -0.907 -8.090 1.00 3.37 O ATOM 620 CB ALA A 44 -13.706 -0.287 -5.198 1.00 2.30 C ATOM 0 H ALA A 44 -14.421 1.930 -4.858 1.00 2.47 H new ATOM 0 HA ALA A 44 -13.502 0.620 -7.212 1.00 2.51 H new ATOM 0 HB1 ALA A 44 -13.478 -1.305 -5.513 1.00 2.30 H new ATOM 0 HB2 ALA A 44 -12.804 0.182 -4.805 1.00 2.30 H new ATOM 0 HB3 ALA A 44 -14.471 -0.310 -4.422 1.00 2.30 H new ATOM 626 N ALA A 45 -16.637 -0.088 -6.560 1.00 3.14 N ATOM 627 CA ALA A 45 -17.888 -0.441 -7.293 1.00 3.81 C ATOM 628 C ALA A 45 -18.248 0.380 -8.578 1.00 4.28 C ATOM 629 O ALA A 45 -19.150 -0.024 -9.317 1.00 4.85 O ATOM 630 CB ALA A 45 -19.028 -0.305 -6.267 1.00 3.95 C ATOM 0 H ALA A 45 -16.804 0.275 -5.622 1.00 3.14 H new ATOM 0 HA ALA A 45 -17.732 -1.444 -7.691 1.00 3.81 H new ATOM 0 HB1 ALA A 45 -19.977 -0.551 -6.743 1.00 3.95 H new ATOM 0 HB2 ALA A 45 -18.852 -0.987 -5.435 1.00 3.95 H new ATOM 0 HB3 ALA A 45 -19.063 0.719 -5.896 1.00 3.95 H new ATOM 636 N GLN A 46 -17.553 1.499 -8.851 1.00 4.18 N ATOM 637 CA GLN A 46 -17.716 2.313 -10.089 1.00 4.77 C ATOM 638 C GLN A 46 -17.057 1.639 -11.333 1.00 4.87 C ATOM 639 O GLN A 46 -17.710 1.495 -12.369 1.00 5.46 O ATOM 640 CB GLN A 46 -17.165 3.753 -9.869 1.00 4.81 C ATOM 641 CG GLN A 46 -17.642 4.504 -8.599 1.00 4.76 C ATOM 642 CD GLN A 46 -19.109 4.952 -8.558 1.00 5.54 C ATOM 643 OE1 GLN A 46 -19.815 5.017 -9.564 1.00 5.90 O ATOM 644 NE2 GLN A 46 -19.584 5.297 -7.372 1.00 6.08 N ATOM 0 H GLN A 46 -16.850 1.876 -8.215 1.00 4.18 H new ATOM 0 HA GLN A 46 -18.783 2.377 -10.300 1.00 4.77 H new ATOM 0 HB2 GLN A 46 -16.077 3.698 -9.841 1.00 4.81 H new ATOM 0 HB3 GLN A 46 -17.432 4.354 -10.738 1.00 4.81 H new ATOM 0 HG2 GLN A 46 -17.461 3.860 -7.738 1.00 4.76 H new ATOM 0 HG3 GLN A 46 -17.016 5.387 -8.474 1.00 4.76 H new ATOM 0 HE21 GLN A 46 -18.987 5.238 -6.547 1.00 6.08 H new ATOM 0 HE22 GLN A 46 -20.547 5.622 -7.283 1.00 6.08 H new ATOM 653 N ASP A 47 -15.791 1.195 -11.203 1.00 4.33 N ATOM 654 CA ASP A 47 -15.127 0.289 -12.178 1.00 4.39 C ATOM 655 C ASP A 47 -15.671 -1.174 -12.127 1.00 4.42 C ATOM 656 O ASP A 47 -15.961 -1.746 -13.181 1.00 4.76 O ATOM 657 CB ASP A 47 -13.592 0.359 -11.923 1.00 3.93 C ATOM 658 CG ASP A 47 -12.697 0.405 -13.168 1.00 4.25 C ATOM 659 OD1 ASP A 47 -12.782 1.392 -13.932 1.00 4.75 O ATOM 660 OD2 ASP A 47 -11.878 -0.520 -13.365 1.00 4.30 O ATOM 0 H ASP A 47 -15.193 1.452 -10.418 1.00 4.33 H new ATOM 0 HA ASP A 47 -15.354 0.625 -13.190 1.00 4.39 H new ATOM 0 HB2 ASP A 47 -13.385 1.243 -11.320 1.00 3.93 H new ATOM 0 HB3 ASP A 47 -13.304 -0.507 -11.327 1.00 3.93 H new ATOM 665 N GLY A 48 -15.781 -1.775 -10.920 1.00 4.20 N ATOM 666 CA GLY A 48 -16.145 -3.203 -10.741 1.00 4.49 C ATOM 667 C GLY A 48 -15.182 -4.247 -11.354 1.00 4.74 C ATOM 668 O GLY A 48 -15.633 -5.215 -11.971 1.00 5.30 O ATOM 0 H GLY A 48 -15.620 -1.284 -10.040 1.00 4.20 H new ATOM 0 HA2 GLY A 48 -16.227 -3.402 -9.672 1.00 4.49 H new ATOM 0 HA3 GLY A 48 -17.134 -3.359 -11.171 1.00 4.49 H new ATOM 672 N ARG A 49 -13.870 -4.024 -11.186 1.00 4.51 N ATOM 673 CA ARG A 49 -12.798 -4.824 -11.837 1.00 4.86 C ATOM 674 C ARG A 49 -11.554 -5.016 -10.919 1.00 4.60 C ATOM 675 O ARG A 49 -10.922 -6.075 -10.982 1.00 4.85 O ATOM 676 CB ARG A 49 -12.378 -4.185 -13.194 1.00 5.32 C ATOM 677 CG ARG A 49 -11.824 -5.217 -14.213 1.00 5.84 C ATOM 678 CD ARG A 49 -10.540 -4.819 -14.963 1.00 5.80 C ATOM 679 NE ARG A 49 -9.378 -4.710 -14.046 1.00 5.39 N ATOM 680 CZ ARG A 49 -8.104 -4.563 -14.444 1.00 5.70 C ATOM 681 NH1 ARG A 49 -7.714 -4.544 -15.717 1.00 6.39 N ATOM 682 NH2 ARG A 49 -7.186 -4.430 -13.512 1.00 5.50 N ATOM 0 H ARG A 49 -13.510 -3.278 -10.590 1.00 4.51 H new ATOM 0 HA ARG A 49 -13.215 -5.814 -12.024 1.00 4.86 H new ATOM 0 HB2 ARG A 49 -13.239 -3.679 -13.631 1.00 5.32 H new ATOM 0 HB3 ARG A 49 -11.620 -3.423 -13.010 1.00 5.32 H new ATOM 0 HG2 ARG A 49 -11.635 -6.151 -13.684 1.00 5.84 H new ATOM 0 HG3 ARG A 49 -12.601 -5.420 -14.950 1.00 5.84 H new ATOM 0 HD2 ARG A 49 -10.326 -5.558 -15.735 1.00 5.80 H new ATOM 0 HD3 ARG A 49 -10.695 -3.866 -15.469 1.00 5.80 H new ATOM 0 HE ARG A 49 -9.560 -4.750 -13.043 1.00 5.39 H new ATOM 0 HH11 ARG A 49 -8.402 -4.645 -16.463 1.00 6.39 H new ATOM 0 HH12 ARG A 49 -6.727 -4.428 -15.946 1.00 6.39 H new ATOM 0 HH21 ARG A 49 -7.453 -4.441 -12.528 1.00 5.50 H new ATOM 0 HH22 ARG A 49 -6.207 -4.316 -13.773 1.00 5.50 H new ATOM 696 N LEU A 50 -11.206 -3.998 -10.099 1.00 4.14 N ATOM 697 CA LEU A 50 -10.041 -3.982 -9.189 1.00 3.88 C ATOM 698 C LEU A 50 -9.825 -5.264 -8.359 1.00 3.93 C ATOM 699 O LEU A 50 -10.738 -5.747 -7.678 1.00 4.03 O ATOM 700 CB LEU A 50 -10.185 -2.758 -8.237 1.00 3.45 C ATOM 701 CG LEU A 50 -8.868 -1.975 -8.033 1.00 3.47 C ATOM 702 CD1 LEU A 50 -9.127 -0.484 -7.829 1.00 3.38 C ATOM 703 CD2 LEU A 50 -7.935 -2.550 -6.956 1.00 4.05 C ATOM 0 H LEU A 50 -11.749 -3.136 -10.052 1.00 4.14 H new ATOM 0 HA LEU A 50 -9.159 -3.915 -9.825 1.00 3.88 H new ATOM 0 HB2 LEU A 50 -10.941 -2.083 -8.638 1.00 3.45 H new ATOM 0 HB3 LEU A 50 -10.547 -3.102 -7.268 1.00 3.45 H new ATOM 0 HG LEU A 50 -8.318 -2.102 -8.965 1.00 3.47 H new ATOM 0 HD11 LEU A 50 -8.178 0.034 -7.689 1.00 3.38 H new ATOM 0 HD12 LEU A 50 -9.635 -0.080 -8.704 1.00 3.38 H new ATOM 0 HD13 LEU A 50 -9.752 -0.341 -6.948 1.00 3.38 H new ATOM 0 HD21 LEU A 50 -7.038 -1.934 -6.885 1.00 4.05 H new ATOM 0 HD22 LEU A 50 -8.449 -2.555 -5.995 1.00 4.05 H new ATOM 0 HD23 LEU A 50 -7.655 -3.569 -7.223 1.00 4.05 H new ATOM 715 N ARG A 51 -8.603 -5.794 -8.461 1.00 3.95 N ATOM 716 CA ARG A 51 -8.226 -7.043 -7.776 1.00 4.15 C ATOM 717 C ARG A 51 -7.618 -6.706 -6.395 1.00 3.75 C ATOM 718 O ARG A 51 -6.762 -5.831 -6.239 1.00 3.43 O ATOM 719 CB ARG A 51 -7.290 -7.895 -8.673 1.00 4.60 C ATOM 720 CG ARG A 51 -8.018 -8.537 -9.882 1.00 5.18 C ATOM 721 CD ARG A 51 -7.365 -9.834 -10.415 1.00 5.64 C ATOM 722 NE ARG A 51 -8.379 -10.904 -10.622 1.00 6.06 N ATOM 723 CZ ARG A 51 -8.397 -12.095 -9.988 1.00 6.61 C ATOM 724 NH1 ARG A 51 -7.456 -12.508 -9.142 1.00 6.89 N ATOM 725 NH2 ARG A 51 -9.414 -12.904 -10.222 1.00 7.15 N ATOM 0 H ARG A 51 -7.852 -5.379 -9.013 1.00 3.95 H new ATOM 0 HA ARG A 51 -9.108 -7.658 -7.598 1.00 4.15 H new ATOM 0 HB2 ARG A 51 -6.478 -7.267 -9.038 1.00 4.60 H new ATOM 0 HB3 ARG A 51 -6.838 -8.682 -8.070 1.00 4.60 H new ATOM 0 HG2 ARG A 51 -9.047 -8.756 -9.595 1.00 5.18 H new ATOM 0 HG3 ARG A 51 -8.061 -7.809 -10.692 1.00 5.18 H new ATOM 0 HD2 ARG A 51 -6.855 -9.627 -11.356 1.00 5.64 H new ATOM 0 HD3 ARG A 51 -6.608 -10.179 -9.711 1.00 5.64 H new ATOM 0 HE ARG A 51 -9.121 -10.722 -11.298 1.00 6.06 H new ATOM 0 HH11 ARG A 51 -6.656 -11.910 -8.938 1.00 6.89 H new ATOM 0 HH12 ARG A 51 -7.535 -13.423 -8.698 1.00 6.89 H new ATOM 0 HH21 ARG A 51 -10.154 -12.621 -10.865 1.00 7.15 H new ATOM 0 HH22 ARG A 51 -9.460 -13.812 -9.760 1.00 7.15 H new ATOM 739 N VAL A 52 -8.066 -7.472 -5.393 1.00 3.83 N ATOM 740 CA VAL A 52 -7.425 -7.531 -4.051 1.00 3.62 C ATOM 741 C VAL A 52 -5.951 -8.051 -4.123 1.00 3.84 C ATOM 742 O VAL A 52 -5.542 -8.694 -5.098 1.00 4.31 O ATOM 743 CB VAL A 52 -8.291 -8.392 -3.070 1.00 3.86 C ATOM 744 CG1 VAL A 52 -9.617 -7.703 -2.681 1.00 3.61 C ATOM 745 CG2 VAL A 52 -8.553 -9.853 -3.519 1.00 4.32 C ATOM 0 H VAL A 52 -8.885 -8.074 -5.479 1.00 3.83 H new ATOM 0 HA VAL A 52 -7.375 -6.514 -3.663 1.00 3.62 H new ATOM 0 HB VAL A 52 -7.658 -8.464 -2.185 1.00 3.86 H new ATOM 0 HG11 VAL A 52 -10.175 -8.346 -2.000 1.00 3.61 H new ATOM 0 HG12 VAL A 52 -9.403 -6.753 -2.190 1.00 3.61 H new ATOM 0 HG13 VAL A 52 -10.210 -7.523 -3.578 1.00 3.61 H new ATOM 0 HG21 VAL A 52 -9.161 -10.360 -2.770 1.00 4.32 H new ATOM 0 HG22 VAL A 52 -9.080 -9.851 -4.473 1.00 4.32 H new ATOM 0 HG23 VAL A 52 -7.603 -10.376 -3.630 1.00 4.32 H new ATOM 755 N ASN A 53 -5.155 -7.745 -3.083 1.00 3.54 N ATOM 756 CA ASN A 53 -3.687 -8.045 -3.046 1.00 3.75 C ATOM 757 C ASN A 53 -2.833 -7.352 -4.174 1.00 3.60 C ATOM 758 O ASN A 53 -1.839 -7.916 -4.640 1.00 3.93 O ATOM 759 CB ASN A 53 -3.496 -9.582 -2.857 1.00 4.30 C ATOM 760 CG ASN A 53 -2.065 -10.063 -2.556 1.00 4.57 C ATOM 761 OD1 ASN A 53 -1.397 -9.581 -1.641 1.00 4.55 O ATOM 762 ND2 ASN A 53 -1.572 -11.013 -3.335 1.00 5.07 N ATOM 0 H ASN A 53 -5.497 -7.284 -2.240 1.00 3.54 H new ATOM 0 HA ASN A 53 -3.245 -7.560 -2.176 1.00 3.75 H new ATOM 0 HB2 ASN A 53 -4.144 -9.909 -2.044 1.00 4.30 H new ATOM 0 HB3 ASN A 53 -3.841 -10.083 -3.761 1.00 4.30 H new ATOM 0 HD21 ASN A 53 -0.624 -11.357 -3.182 1.00 5.07 H new ATOM 0 HD22 ASN A 53 -2.140 -11.401 -4.088 1.00 5.07 H new ATOM 769 N ASP A 54 -3.204 -6.124 -4.593 1.00 3.10 N ATOM 770 CA ASP A 54 -2.571 -5.429 -5.740 1.00 2.92 C ATOM 771 C ASP A 54 -1.609 -4.345 -5.200 1.00 2.51 C ATOM 772 O ASP A 54 -2.023 -3.396 -4.528 1.00 2.18 O ATOM 773 CB ASP A 54 -3.665 -4.829 -6.666 1.00 2.79 C ATOM 774 CG ASP A 54 -4.173 -5.696 -7.830 1.00 3.31 C ATOM 775 OD1 ASP A 54 -3.893 -6.914 -7.885 1.00 3.63 O ATOM 776 OD2 ASP A 54 -4.885 -5.143 -8.697 1.00 3.73 O ATOM 0 H ASP A 54 -3.948 -5.586 -4.149 1.00 3.10 H new ATOM 0 HA ASP A 54 -1.992 -6.132 -6.339 1.00 2.92 H new ATOM 0 HB2 ASP A 54 -4.522 -4.566 -6.046 1.00 2.79 H new ATOM 0 HB3 ASP A 54 -3.277 -3.900 -7.084 1.00 2.79 H new ATOM 781 N SER A 55 -0.317 -4.489 -5.539 1.00 2.57 N ATOM 782 CA SER A 55 0.737 -3.537 -5.120 1.00 2.28 C ATOM 783 C SER A 55 0.702 -2.271 -6.011 1.00 1.78 C ATOM 784 O SER A 55 1.201 -2.283 -7.140 1.00 1.85 O ATOM 785 CB SER A 55 2.098 -4.261 -5.151 1.00 2.67 C ATOM 786 OG SER A 55 3.147 -3.411 -4.703 1.00 3.32 O ATOM 0 H SER A 55 0.029 -5.262 -6.107 1.00 2.57 H new ATOM 0 HA SER A 55 0.565 -3.194 -4.100 1.00 2.28 H new ATOM 0 HB2 SER A 55 2.054 -5.150 -4.522 1.00 2.67 H new ATOM 0 HB3 SER A 55 2.309 -4.599 -6.166 1.00 2.67 H new ATOM 0 HG SER A 55 3.997 -3.897 -4.732 1.00 3.32 H new ATOM 792 N ILE A 56 0.128 -1.178 -5.466 1.00 1.35 N ATOM 793 CA ILE A 56 0.110 0.164 -6.108 1.00 0.91 C ATOM 794 C ILE A 56 1.579 0.662 -6.222 1.00 0.86 C ATOM 795 O ILE A 56 2.301 0.778 -5.225 1.00 1.12 O ATOM 796 CB ILE A 56 -0.777 1.226 -5.358 1.00 0.72 C ATOM 797 CG1 ILE A 56 -2.234 0.759 -5.054 1.00 1.53 C ATOM 798 CG2 ILE A 56 -0.791 2.571 -6.130 1.00 1.23 C ATOM 799 CD1 ILE A 56 -3.151 1.774 -4.344 1.00 2.20 C ATOM 0 H ILE A 56 -0.341 -1.197 -4.561 1.00 1.35 H new ATOM 0 HA ILE A 56 -0.352 0.055 -7.089 1.00 0.91 H new ATOM 0 HB ILE A 56 -0.303 1.359 -4.385 1.00 0.72 H new ATOM 0 HG12 ILE A 56 -2.704 0.476 -5.996 1.00 1.53 H new ATOM 0 HG13 ILE A 56 -2.182 -0.140 -4.440 1.00 1.53 H new ATOM 0 HG21 ILE A 56 -1.410 3.291 -5.595 1.00 1.23 H new ATOM 0 HG22 ILE A 56 0.226 2.955 -6.210 1.00 1.23 H new ATOM 0 HG23 ILE A 56 -1.199 2.413 -7.128 1.00 1.23 H new ATOM 0 HD11 ILE A 56 -4.134 1.330 -4.190 1.00 2.20 H new ATOM 0 HD12 ILE A 56 -2.719 2.043 -3.380 1.00 2.20 H new ATOM 0 HD13 ILE A 56 -3.249 2.668 -4.959 1.00 2.20 H new ATOM 811 N LEU A 57 1.956 0.947 -7.471 1.00 0.75 N ATOM 812 CA LEU A 57 3.273 1.523 -7.821 1.00 0.80 C ATOM 813 C LEU A 57 3.240 2.939 -8.474 1.00 0.88 C ATOM 814 O LEU A 57 4.312 3.539 -8.586 1.00 1.17 O ATOM 815 CB LEU A 57 4.096 0.537 -8.696 1.00 0.96 C ATOM 816 CG LEU A 57 4.587 -0.792 -8.048 1.00 1.45 C ATOM 817 CD1 LEU A 57 5.554 -1.527 -9.002 1.00 1.91 C ATOM 818 CD2 LEU A 57 5.254 -0.626 -6.665 1.00 2.11 C ATOM 0 H LEU A 57 1.356 0.786 -8.280 1.00 0.75 H new ATOM 0 HA LEU A 57 3.765 1.672 -6.860 1.00 0.80 H new ATOM 0 HB2 LEU A 57 3.491 0.279 -9.565 1.00 0.96 H new ATOM 0 HB3 LEU A 57 4.972 1.071 -9.064 1.00 0.96 H new ATOM 0 HG LEU A 57 3.685 -1.381 -7.880 1.00 1.45 H new ATOM 0 HD11 LEU A 57 5.889 -2.454 -8.537 1.00 1.91 H new ATOM 0 HD12 LEU A 57 5.040 -1.755 -9.936 1.00 1.91 H new ATOM 0 HD13 LEU A 57 6.416 -0.892 -9.207 1.00 1.91 H new ATOM 0 HD21 LEU A 57 5.564 -1.602 -6.291 1.00 2.11 H new ATOM 0 HD22 LEU A 57 6.126 0.021 -6.757 1.00 2.11 H new ATOM 0 HD23 LEU A 57 4.543 -0.180 -5.969 1.00 2.11 H new ATOM 830 N PHE A 58 2.094 3.503 -8.912 1.00 1.01 N ATOM 831 CA PHE A 58 2.053 4.880 -9.476 1.00 1.48 C ATOM 832 C PHE A 58 0.582 5.394 -9.481 1.00 1.77 C ATOM 833 O PHE A 58 -0.046 5.523 -10.538 1.00 1.90 O ATOM 834 CB PHE A 58 2.774 4.940 -10.875 1.00 1.72 C ATOM 835 CG PHE A 58 3.891 5.977 -10.996 1.00 1.94 C ATOM 836 CD1 PHE A 58 3.568 7.310 -11.257 1.00 2.37 C ATOM 837 CD2 PHE A 58 5.235 5.596 -10.913 1.00 2.33 C ATOM 838 CE1 PHE A 58 4.574 8.256 -11.427 1.00 2.67 C ATOM 839 CE2 PHE A 58 6.239 6.541 -11.103 1.00 2.58 C ATOM 840 CZ PHE A 58 5.909 7.870 -11.351 1.00 2.55 C ATOM 0 H PHE A 58 1.188 3.034 -8.889 1.00 1.01 H new ATOM 0 HA PHE A 58 2.618 5.566 -8.845 1.00 1.48 H new ATOM 0 HB2 PHE A 58 3.190 3.956 -11.092 1.00 1.72 H new ATOM 0 HB3 PHE A 58 2.026 5.146 -11.641 1.00 1.72 H new ATOM 0 HD1 PHE A 58 2.532 7.608 -11.327 1.00 2.37 H new ATOM 0 HD2 PHE A 58 5.493 4.569 -10.702 1.00 2.33 H new ATOM 0 HE1 PHE A 58 4.319 9.288 -11.618 1.00 2.67 H new ATOM 0 HE2 PHE A 58 7.276 6.242 -11.058 1.00 2.58 H new ATOM 0 HZ PHE A 58 6.690 8.603 -11.485 1.00 2.55 H new ATOM 850 N VAL A 59 0.039 5.747 -8.293 1.00 2.02 N ATOM 851 CA VAL A 59 -1.271 6.461 -8.183 1.00 2.36 C ATOM 852 C VAL A 59 -1.099 7.904 -8.715 1.00 2.91 C ATOM 853 O VAL A 59 -0.391 8.709 -8.107 1.00 3.04 O ATOM 854 CB VAL A 59 -1.950 6.476 -6.766 1.00 2.23 C ATOM 855 CG1 VAL A 59 -2.931 5.313 -6.574 1.00 1.77 C ATOM 856 CG2 VAL A 59 -1.000 6.563 -5.563 1.00 2.35 C ATOM 0 H VAL A 59 0.481 5.553 -7.394 1.00 2.02 H new ATOM 0 HA VAL A 59 -1.965 5.879 -8.789 1.00 2.36 H new ATOM 0 HB VAL A 59 -2.496 7.420 -6.775 1.00 2.23 H new ATOM 0 HG11 VAL A 59 -3.372 5.370 -5.579 1.00 1.77 H new ATOM 0 HG12 VAL A 59 -3.719 5.374 -7.325 1.00 1.77 H new ATOM 0 HG13 VAL A 59 -2.400 4.367 -6.682 1.00 1.77 H new ATOM 0 HG21 VAL A 59 -1.581 6.566 -4.640 1.00 2.35 H new ATOM 0 HG22 VAL A 59 -0.329 5.704 -5.567 1.00 2.35 H new ATOM 0 HG23 VAL A 59 -0.415 7.481 -5.627 1.00 2.35 H new ATOM 866 N ASN A 60 -1.739 8.199 -9.864 1.00 3.30 N ATOM 867 CA ASN A 60 -1.690 9.533 -10.518 1.00 3.82 C ATOM 868 C ASN A 60 -0.256 9.871 -11.047 1.00 3.79 C ATOM 869 O ASN A 60 0.458 8.964 -11.491 1.00 3.41 O ATOM 870 CB ASN A 60 -2.440 10.580 -9.618 1.00 4.00 C ATOM 871 CG ASN A 60 -3.529 11.406 -10.315 1.00 4.34 C ATOM 872 OD1 ASN A 60 -4.252 10.945 -11.200 1.00 4.44 O ATOM 873 ND2 ASN A 60 -3.718 12.630 -9.858 1.00 4.59 N ATOM 0 H ASN A 60 -2.308 7.520 -10.370 1.00 3.30 H new ATOM 0 HA ASN A 60 -2.252 9.554 -11.452 1.00 3.82 H new ATOM 0 HB2 ASN A 60 -2.893 10.051 -8.780 1.00 4.00 H new ATOM 0 HB3 ASN A 60 -1.703 11.266 -9.201 1.00 4.00 H new ATOM 0 HD21 ASN A 60 -4.469 13.206 -10.238 1.00 4.59 H new ATOM 0 HD22 ASN A 60 -3.113 13.000 -9.125 1.00 4.59 H new ATOM 880 N GLU A 61 0.179 11.144 -10.985 1.00 4.17 N ATOM 881 CA GLU A 61 1.607 11.524 -11.194 1.00 4.10 C ATOM 882 C GLU A 61 2.357 11.624 -9.826 1.00 4.00 C ATOM 883 O GLU A 61 2.881 12.681 -9.456 1.00 4.39 O ATOM 884 CB GLU A 61 1.618 12.830 -12.044 1.00 4.61 C ATOM 885 CG GLU A 61 2.868 12.999 -12.934 1.00 4.79 C ATOM 886 CD GLU A 61 2.630 13.984 -14.083 1.00 5.26 C ATOM 887 OE1 GLU A 61 1.997 13.589 -15.088 1.00 5.59 O ATOM 888 OE2 GLU A 61 3.063 15.153 -13.987 1.00 5.58 O ATOM 0 H GLU A 61 -0.434 11.936 -10.792 1.00 4.17 H new ATOM 0 HA GLU A 61 2.159 10.763 -11.746 1.00 4.10 H new ATOM 0 HB2 GLU A 61 0.731 12.845 -12.677 1.00 4.61 H new ATOM 0 HB3 GLU A 61 1.545 13.686 -11.374 1.00 4.61 H new ATOM 0 HG2 GLU A 61 3.701 13.348 -12.325 1.00 4.79 H new ATOM 0 HG3 GLU A 61 3.156 12.030 -13.342 1.00 4.79 H new ATOM 895 N VAL A 62 2.387 10.504 -9.074 1.00 3.52 N ATOM 896 CA VAL A 62 2.912 10.461 -7.684 1.00 3.42 C ATOM 897 C VAL A 62 3.708 9.128 -7.630 1.00 2.98 C ATOM 898 O VAL A 62 3.145 8.037 -7.785 1.00 2.53 O ATOM 899 CB VAL A 62 1.830 10.559 -6.541 1.00 3.34 C ATOM 900 CG1 VAL A 62 2.457 11.009 -5.198 1.00 3.32 C ATOM 901 CG2 VAL A 62 0.626 11.489 -6.836 1.00 3.95 C ATOM 0 H VAL A 62 2.049 9.602 -9.409 1.00 3.52 H new ATOM 0 HA VAL A 62 3.519 11.344 -7.482 1.00 3.42 H new ATOM 0 HB VAL A 62 1.444 9.541 -6.482 1.00 3.34 H new ATOM 0 HG11 VAL A 62 1.681 11.065 -4.435 1.00 3.32 H new ATOM 0 HG12 VAL A 62 3.216 10.289 -4.892 1.00 3.32 H new ATOM 0 HG13 VAL A 62 2.916 11.990 -5.321 1.00 3.32 H new ATOM 0 HG21 VAL A 62 -0.056 11.482 -5.986 1.00 3.95 H new ATOM 0 HG22 VAL A 62 0.984 12.504 -7.006 1.00 3.95 H new ATOM 0 HG23 VAL A 62 0.102 11.135 -7.724 1.00 3.95 H new ATOM 911 N ASP A 63 5.026 9.248 -7.404 1.00 3.14 N ATOM 912 CA ASP A 63 5.971 8.101 -7.338 1.00 2.83 C ATOM 913 C ASP A 63 5.693 7.222 -6.082 1.00 2.70 C ATOM 914 O ASP A 63 5.977 7.645 -4.955 1.00 3.07 O ATOM 915 CB ASP A 63 7.421 8.669 -7.301 1.00 3.16 C ATOM 916 CG ASP A 63 7.920 9.344 -8.592 1.00 3.39 C ATOM 917 OD1 ASP A 63 7.708 10.566 -8.753 1.00 3.56 O ATOM 918 OD2 ASP A 63 8.529 8.660 -9.443 1.00 3.97 O ATOM 0 H ASP A 63 5.479 10.150 -7.259 1.00 3.14 H new ATOM 0 HA ASP A 63 5.840 7.464 -8.213 1.00 2.83 H new ATOM 0 HB2 ASP A 63 7.485 9.393 -6.489 1.00 3.16 H new ATOM 0 HB3 ASP A 63 8.102 7.854 -7.055 1.00 3.16 H new ATOM 923 N VAL A 64 5.091 6.031 -6.287 1.00 2.22 N ATOM 924 CA VAL A 64 4.617 5.162 -5.168 1.00 2.16 C ATOM 925 C VAL A 64 5.430 3.838 -5.225 1.00 2.06 C ATOM 926 O VAL A 64 5.466 3.155 -6.243 1.00 1.72 O ATOM 927 CB VAL A 64 3.055 4.993 -5.140 1.00 1.82 C ATOM 928 CG1 VAL A 64 2.556 4.079 -3.992 1.00 1.88 C ATOM 929 CG2 VAL A 64 2.316 6.356 -5.057 1.00 2.08 C ATOM 0 H VAL A 64 4.918 5.642 -7.214 1.00 2.22 H new ATOM 0 HA VAL A 64 4.810 5.635 -4.205 1.00 2.16 H new ATOM 0 HB VAL A 64 2.816 4.510 -6.087 1.00 1.82 H new ATOM 0 HG11 VAL A 64 1.469 4.006 -4.031 1.00 1.88 H new ATOM 0 HG12 VAL A 64 2.991 3.086 -4.103 1.00 1.88 H new ATOM 0 HG13 VAL A 64 2.857 4.502 -3.033 1.00 1.88 H new ATOM 0 HG21 VAL A 64 1.239 6.186 -5.040 1.00 2.08 H new ATOM 0 HG22 VAL A 64 2.615 6.877 -4.148 1.00 2.08 H new ATOM 0 HG23 VAL A 64 2.574 6.963 -5.925 1.00 2.08 H new ATOM 939 N ARG A 65 6.105 3.498 -4.122 1.00 2.49 N ATOM 940 CA ARG A 65 6.936 2.257 -3.974 1.00 2.65 C ATOM 941 C ARG A 65 7.552 2.192 -2.542 1.00 3.26 C ATOM 942 O ARG A 65 7.508 1.154 -1.880 1.00 3.46 O ATOM 943 CB ARG A 65 8.031 2.012 -5.070 1.00 2.48 C ATOM 944 CG ARG A 65 9.303 2.905 -5.018 1.00 2.71 C ATOM 945 CD ARG A 65 9.925 3.306 -6.359 1.00 2.67 C ATOM 946 NE ARG A 65 9.040 4.278 -7.039 1.00 2.69 N ATOM 947 CZ ARG A 65 9.358 4.945 -8.154 1.00 3.10 C ATOM 948 NH1 ARG A 65 10.546 4.890 -8.750 1.00 3.13 N ATOM 949 NH2 ARG A 65 8.428 5.703 -8.681 1.00 3.77 N ATOM 0 H ARG A 65 6.101 4.075 -3.281 1.00 2.49 H new ATOM 0 HA ARG A 65 6.234 1.438 -4.131 1.00 2.65 H new ATOM 0 HB2 ARG A 65 8.347 0.971 -5.005 1.00 2.48 H new ATOM 0 HB3 ARG A 65 7.566 2.144 -6.047 1.00 2.48 H new ATOM 0 HG2 ARG A 65 9.056 3.816 -4.473 1.00 2.71 H new ATOM 0 HG3 ARG A 65 10.061 2.381 -4.436 1.00 2.71 H new ATOM 0 HD2 ARG A 65 10.910 3.744 -6.199 1.00 2.67 H new ATOM 0 HD3 ARG A 65 10.066 2.425 -6.985 1.00 2.67 H new ATOM 0 HE ARG A 65 8.123 4.452 -6.628 1.00 2.69 H new ATOM 0 HH11 ARG A 65 11.287 4.310 -8.357 1.00 3.13 H new ATOM 0 HH12 ARG A 65 10.716 5.428 -9.600 1.00 3.13 H new ATOM 0 HH21 ARG A 65 7.510 5.764 -8.241 1.00 3.77 H new ATOM 0 HH22 ARG A 65 8.622 6.232 -9.531 1.00 3.77 H new ATOM 963 N GLU A 66 8.177 3.308 -2.121 1.00 3.69 N ATOM 964 CA GLU A 66 8.818 3.485 -0.799 1.00 4.32 C ATOM 965 C GLU A 66 8.150 4.650 0.008 1.00 4.44 C ATOM 966 O GLU A 66 8.823 5.385 0.739 1.00 4.85 O ATOM 967 CB GLU A 66 10.317 3.756 -1.118 1.00 4.76 C ATOM 968 CG GLU A 66 11.279 3.254 -0.029 1.00 5.15 C ATOM 969 CD GLU A 66 12.759 3.517 -0.337 1.00 5.60 C ATOM 970 OE1 GLU A 66 13.100 4.574 -0.917 1.00 6.00 O ATOM 971 OE2 GLU A 66 13.598 2.658 0.014 1.00 5.87 O ATOM 0 H GLU A 66 8.253 4.139 -2.708 1.00 3.69 H new ATOM 0 HA GLU A 66 8.704 2.610 -0.159 1.00 4.32 H new ATOM 0 HB2 GLU A 66 10.571 3.277 -2.064 1.00 4.76 H new ATOM 0 HB3 GLU A 66 10.463 4.828 -1.254 1.00 4.76 H new ATOM 0 HG2 GLU A 66 11.024 3.733 0.916 1.00 5.15 H new ATOM 0 HG3 GLU A 66 11.131 2.183 0.107 1.00 5.15 H new ATOM 978 N VAL A 67 6.818 4.790 -0.110 1.00 4.13 N ATOM 979 CA VAL A 67 6.012 5.843 0.545 1.00 4.27 C ATOM 980 C VAL A 67 4.861 5.104 1.281 1.00 4.14 C ATOM 981 O VAL A 67 4.313 4.128 0.765 1.00 3.83 O ATOM 982 CB VAL A 67 5.495 6.913 -0.473 1.00 4.07 C ATOM 983 CG1 VAL A 67 6.604 7.724 -1.173 1.00 4.35 C ATOM 984 CG2 VAL A 67 4.486 6.395 -1.531 1.00 3.52 C ATOM 0 H VAL A 67 6.254 4.158 -0.678 1.00 4.13 H new ATOM 0 HA VAL A 67 6.612 6.417 1.251 1.00 4.27 H new ATOM 0 HB VAL A 67 4.950 7.585 0.190 1.00 4.07 H new ATOM 0 HG11 VAL A 67 6.153 8.440 -1.860 1.00 4.35 H new ATOM 0 HG12 VAL A 67 7.191 8.258 -0.426 1.00 4.35 H new ATOM 0 HG13 VAL A 67 7.253 7.048 -1.729 1.00 4.35 H new ATOM 0 HG21 VAL A 67 4.192 7.215 -2.186 1.00 3.52 H new ATOM 0 HG22 VAL A 67 4.952 5.607 -2.123 1.00 3.52 H new ATOM 0 HG23 VAL A 67 3.604 5.998 -1.029 1.00 3.52 H new ATOM 994 N THR A 68 4.478 5.595 2.466 1.00 4.44 N ATOM 995 CA THR A 68 3.394 4.995 3.297 1.00 4.41 C ATOM 996 C THR A 68 1.974 5.137 2.679 1.00 4.03 C ATOM 997 O THR A 68 1.788 5.844 1.681 1.00 3.82 O ATOM 998 CB THR A 68 3.483 5.617 4.720 1.00 4.91 C ATOM 999 OG1 THR A 68 2.572 4.957 5.595 1.00 5.22 O ATOM 1000 CG2 THR A 68 3.293 7.142 4.832 1.00 5.10 C ATOM 0 H THR A 68 4.904 6.420 2.888 1.00 4.44 H new ATOM 0 HA THR A 68 3.550 3.917 3.345 1.00 4.41 H new ATOM 0 HB THR A 68 4.522 5.456 5.009 1.00 4.91 H new ATOM 0 HG1 THR A 68 1.930 5.607 5.949 1.00 5.22 H new ATOM 0 HG21 THR A 68 3.379 7.444 5.876 1.00 5.10 H new ATOM 0 HG22 THR A 68 4.058 7.648 4.244 1.00 5.10 H new ATOM 0 HG23 THR A 68 2.307 7.414 4.456 1.00 5.10 H new ATOM 1008 N HIS A 69 0.960 4.468 3.280 1.00 3.98 N ATOM 1009 CA HIS A 69 -0.471 4.759 2.986 1.00 3.63 C ATOM 1010 C HIS A 69 -0.829 6.270 3.006 1.00 3.80 C ATOM 1011 O HIS A 69 -1.608 6.654 2.158 1.00 3.53 O ATOM 1012 CB HIS A 69 -1.506 3.933 3.808 1.00 3.73 C ATOM 1013 CG HIS A 69 -1.708 4.307 5.286 1.00 4.12 C ATOM 1014 ND1 HIS A 69 -1.062 3.711 6.353 1.00 4.36 N ATOM 1015 CD2 HIS A 69 -2.415 5.444 5.733 1.00 4.80 C ATOM 1016 CE1 HIS A 69 -1.391 4.593 7.350 1.00 5.05 C ATOM 1017 NE2 HIS A 69 -2.200 5.658 7.078 1.00 5.31 N ATOM 0 H HIS A 69 1.101 3.728 3.967 1.00 3.98 H new ATOM 0 HA HIS A 69 -0.563 4.413 1.956 1.00 3.63 H new ATOM 0 HB2 HIS A 69 -2.471 4.012 3.307 1.00 3.73 H new ATOM 0 HB3 HIS A 69 -1.209 2.885 3.765 1.00 3.73 H new ATOM 0 HD2 HIS A 69 -3.040 6.063 5.106 1.00 4.80 H new ATOM 0 HE1 HIS A 69 -1.010 4.445 8.350 1.00 5.05 H new ATOM 0 HE2 HIS A 69 -2.545 6.397 7.691 1.00 5.31 H new ATOM 1026 N SER A 70 -0.263 7.114 3.896 1.00 4.30 N ATOM 1027 CA SER A 70 -0.443 8.591 3.858 1.00 4.60 C ATOM 1028 C SER A 70 -0.091 9.287 2.505 1.00 4.42 C ATOM 1029 O SER A 70 -0.857 10.145 2.065 1.00 4.42 O ATOM 1030 CB SER A 70 0.357 9.205 5.026 1.00 5.18 C ATOM 1031 OG SER A 70 -0.032 10.550 5.261 1.00 5.81 O ATOM 0 H SER A 70 0.331 6.796 4.662 1.00 4.30 H new ATOM 0 HA SER A 70 -1.512 8.775 3.962 1.00 4.60 H new ATOM 0 HB2 SER A 70 0.199 8.615 5.929 1.00 5.18 H new ATOM 0 HB3 SER A 70 1.423 9.165 4.801 1.00 5.18 H new ATOM 0 HG SER A 70 0.488 10.916 6.007 1.00 5.81 H new ATOM 1037 N ALA A 71 1.012 8.886 1.840 1.00 4.35 N ATOM 1038 CA ALA A 71 1.269 9.221 0.416 1.00 4.25 C ATOM 1039 C ALA A 71 0.301 8.627 -0.652 1.00 3.67 C ATOM 1040 O ALA A 71 0.109 9.272 -1.682 1.00 3.61 O ATOM 1041 CB ALA A 71 2.697 8.828 0.074 1.00 4.38 C ATOM 0 H ALA A 71 1.748 8.324 2.268 1.00 4.35 H new ATOM 0 HA ALA A 71 1.089 10.294 0.356 1.00 4.25 H new ATOM 0 HB1 ALA A 71 2.900 9.068 -0.970 1.00 4.38 H new ATOM 0 HB2 ALA A 71 3.388 9.376 0.714 1.00 4.38 H new ATOM 0 HB3 ALA A 71 2.827 7.757 0.232 1.00 4.38 H new ATOM 1047 N ALA A 72 -0.305 7.445 -0.422 1.00 3.32 N ATOM 1048 CA ALA A 72 -1.471 6.969 -1.209 1.00 2.77 C ATOM 1049 C ALA A 72 -2.790 7.736 -0.884 1.00 2.77 C ATOM 1050 O ALA A 72 -3.417 8.200 -1.828 1.00 2.66 O ATOM 1051 CB ALA A 72 -1.614 5.445 -1.061 1.00 2.49 C ATOM 0 H ALA A 72 -0.007 6.796 0.306 1.00 3.32 H new ATOM 0 HA ALA A 72 -1.278 7.194 -2.258 1.00 2.77 H new ATOM 0 HB1 ALA A 72 -2.471 5.102 -1.641 1.00 2.49 H new ATOM 0 HB2 ALA A 72 -0.710 4.958 -1.427 1.00 2.49 H new ATOM 0 HB3 ALA A 72 -1.762 5.194 -0.011 1.00 2.49 H new ATOM 1057 N VAL A 73 -3.200 7.898 0.400 1.00 3.00 N ATOM 1058 CA VAL A 73 -4.372 8.714 0.865 1.00 3.08 C ATOM 1059 C VAL A 73 -4.349 10.186 0.340 1.00 3.50 C ATOM 1060 O VAL A 73 -5.387 10.659 -0.122 1.00 3.57 O ATOM 1061 CB VAL A 73 -4.608 8.620 2.420 1.00 3.37 C ATOM 1062 CG1 VAL A 73 -5.905 9.333 2.887 1.00 3.41 C ATOM 1063 CG2 VAL A 73 -4.717 7.184 2.997 1.00 3.17 C ATOM 0 H VAL A 73 -2.711 7.451 1.176 1.00 3.00 H new ATOM 0 HA VAL A 73 -5.246 8.255 0.403 1.00 3.08 H new ATOM 0 HB VAL A 73 -3.706 9.105 2.795 1.00 3.37 H new ATOM 0 HG11 VAL A 73 -6.008 9.231 3.967 1.00 3.41 H new ATOM 0 HG12 VAL A 73 -5.853 10.390 2.626 1.00 3.41 H new ATOM 0 HG13 VAL A 73 -6.766 8.880 2.396 1.00 3.41 H new ATOM 0 HG21 VAL A 73 -4.879 7.236 4.074 1.00 3.17 H new ATOM 0 HG22 VAL A 73 -5.554 6.666 2.529 1.00 3.17 H new ATOM 0 HG23 VAL A 73 -3.795 6.639 2.794 1.00 3.17 H new ATOM 1073 N GLU A 74 -3.198 10.886 0.362 1.00 3.86 N ATOM 1074 CA GLU A 74 -3.025 12.175 -0.362 1.00 4.34 C ATOM 1075 C GLU A 74 -3.031 12.046 -1.917 1.00 4.20 C ATOM 1076 O GLU A 74 -3.670 12.872 -2.553 1.00 4.44 O ATOM 1077 CB GLU A 74 -1.803 12.971 0.175 1.00 4.82 C ATOM 1078 CG GLU A 74 -0.423 12.464 -0.296 1.00 4.70 C ATOM 1079 CD GLU A 74 0.827 13.053 0.362 1.00 5.25 C ATOM 1080 OE1 GLU A 74 0.737 13.714 1.420 1.00 5.80 O ATOM 1081 OE2 GLU A 74 1.929 12.831 -0.187 1.00 5.35 O ATOM 0 H GLU A 74 -2.368 10.585 0.873 1.00 3.86 H new ATOM 0 HA GLU A 74 -3.918 12.760 -0.141 1.00 4.34 H new ATOM 0 HB2 GLU A 74 -1.910 14.013 -0.125 1.00 4.82 H new ATOM 0 HB3 GLU A 74 -1.827 12.949 1.265 1.00 4.82 H new ATOM 0 HG2 GLU A 74 -0.398 11.384 -0.151 1.00 4.70 H new ATOM 0 HG3 GLU A 74 -0.351 12.644 -1.369 1.00 4.70 H new ATOM 1088 N ALA A 75 -2.347 11.058 -2.533 1.00 3.86 N ATOM 1089 CA ALA A 75 -2.370 10.839 -4.009 1.00 3.75 C ATOM 1090 C ALA A 75 -3.743 10.471 -4.649 1.00 3.48 C ATOM 1091 O ALA A 75 -4.014 10.905 -5.769 1.00 3.67 O ATOM 1092 CB ALA A 75 -1.332 9.761 -4.344 1.00 3.45 C ATOM 0 H ALA A 75 -1.764 10.389 -2.031 1.00 3.86 H new ATOM 0 HA ALA A 75 -2.139 11.809 -4.450 1.00 3.75 H new ATOM 0 HB1 ALA A 75 -1.328 9.581 -5.419 1.00 3.45 H new ATOM 0 HB2 ALA A 75 -0.344 10.097 -4.029 1.00 3.45 H new ATOM 0 HB3 ALA A 75 -1.585 8.838 -3.823 1.00 3.45 H new ATOM 1098 N LEU A 76 -4.584 9.698 -3.937 1.00 3.14 N ATOM 1099 CA LEU A 76 -6.017 9.475 -4.264 1.00 2.95 C ATOM 1100 C LEU A 76 -6.954 10.694 -3.966 1.00 3.44 C ATOM 1101 O LEU A 76 -7.860 10.956 -4.761 1.00 3.59 O ATOM 1102 CB LEU A 76 -6.478 8.125 -3.623 1.00 2.44 C ATOM 1103 CG LEU A 76 -6.606 8.043 -2.070 1.00 2.46 C ATOM 1104 CD1 LEU A 76 -8.000 8.456 -1.545 1.00 2.53 C ATOM 1105 CD2 LEU A 76 -6.176 6.672 -1.487 1.00 2.74 C ATOM 0 H LEU A 76 -4.286 9.198 -3.099 1.00 3.14 H new ATOM 0 HA LEU A 76 -6.111 9.389 -5.347 1.00 2.95 H new ATOM 0 HB2 LEU A 76 -7.448 7.870 -4.049 1.00 2.44 H new ATOM 0 HB3 LEU A 76 -5.778 7.352 -3.939 1.00 2.44 H new ATOM 0 HG LEU A 76 -5.895 8.783 -1.703 1.00 2.46 H new ATOM 0 HD11 LEU A 76 -8.018 8.375 -0.458 1.00 2.53 H new ATOM 0 HD12 LEU A 76 -8.208 9.486 -1.836 1.00 2.53 H new ATOM 0 HD13 LEU A 76 -8.758 7.799 -1.970 1.00 2.53 H new ATOM 0 HD21 LEU A 76 -6.291 6.685 -0.403 1.00 2.74 H new ATOM 0 HD22 LEU A 76 -6.802 5.885 -1.908 1.00 2.74 H new ATOM 0 HD23 LEU A 76 -5.133 6.480 -1.739 1.00 2.74 H new ATOM 1117 N LYS A 77 -6.748 11.440 -2.855 1.00 3.77 N ATOM 1118 CA LYS A 77 -7.491 12.702 -2.559 1.00 4.28 C ATOM 1119 C LYS A 77 -7.136 13.897 -3.509 1.00 4.84 C ATOM 1120 O LYS A 77 -8.046 14.543 -4.033 1.00 5.25 O ATOM 1121 CB LYS A 77 -7.301 13.131 -1.077 1.00 4.47 C ATOM 1122 CG LYS A 77 -8.147 12.393 -0.009 1.00 4.61 C ATOM 1123 CD LYS A 77 -8.338 13.268 1.250 1.00 5.34 C ATOM 1124 CE LYS A 77 -8.701 12.496 2.529 1.00 5.68 C ATOM 1125 NZ LYS A 77 -8.884 13.431 3.655 1.00 6.43 N ATOM 0 H LYS A 77 -6.067 11.191 -2.138 1.00 3.77 H new ATOM 0 HA LYS A 77 -8.538 12.462 -2.744 1.00 4.28 H new ATOM 0 HB2 LYS A 77 -6.249 13.003 -0.821 1.00 4.47 H new ATOM 0 HB3 LYS A 77 -7.520 14.196 -1.004 1.00 4.47 H new ATOM 0 HG2 LYS A 77 -9.120 12.134 -0.427 1.00 4.61 H new ATOM 0 HG3 LYS A 77 -7.658 11.458 0.265 1.00 4.61 H new ATOM 0 HD2 LYS A 77 -7.419 13.826 1.429 1.00 5.34 H new ATOM 0 HD3 LYS A 77 -9.121 13.999 1.050 1.00 5.34 H new ATOM 0 HE2 LYS A 77 -9.615 11.924 2.370 1.00 5.68 H new ATOM 0 HE3 LYS A 77 -7.914 11.780 2.766 1.00 5.68 H new ATOM 0 HZ1 LYS A 77 -9.129 12.897 4.513 1.00 6.43 H new ATOM 0 HZ2 LYS A 77 -8.002 13.958 3.815 1.00 6.43 H new ATOM 0 HZ3 LYS A 77 -9.650 14.098 3.432 1.00 6.43 H new ATOM 1139 N GLU A 78 -5.834 14.177 -3.722 1.00 4.90 N ATOM 1140 CA GLU A 78 -5.316 15.123 -4.757 1.00 5.45 C ATOM 1141 C GLU A 78 -5.727 14.795 -6.222 1.00 5.44 C ATOM 1142 O GLU A 78 -6.048 15.721 -6.972 1.00 5.94 O ATOM 1143 CB GLU A 78 -3.765 15.196 -4.682 1.00 5.57 C ATOM 1144 CG GLU A 78 -3.199 15.954 -3.462 1.00 6.19 C ATOM 1145 CD GLU A 78 -1.681 15.797 -3.329 1.00 6.75 C ATOM 1146 OE1 GLU A 78 -1.221 14.725 -2.877 1.00 7.22 O ATOM 1147 OE2 GLU A 78 -0.940 16.742 -3.678 1.00 7.00 O ATOM 0 H GLU A 78 -5.090 13.748 -3.173 1.00 4.90 H new ATOM 0 HA GLU A 78 -5.781 16.079 -4.516 1.00 5.45 H new ATOM 0 HB2 GLU A 78 -3.370 14.180 -4.673 1.00 5.57 H new ATOM 0 HB3 GLU A 78 -3.396 15.674 -5.589 1.00 5.57 H new ATOM 0 HG2 GLU A 78 -3.446 17.012 -3.549 1.00 6.19 H new ATOM 0 HG3 GLU A 78 -3.680 15.588 -2.555 1.00 6.19 H new ATOM 1154 N ALA A 79 -5.766 13.500 -6.608 1.00 4.92 N ATOM 1155 CA ALA A 79 -6.517 13.024 -7.799 1.00 4.98 C ATOM 1156 C ALA A 79 -7.966 13.568 -7.946 1.00 5.29 C ATOM 1157 O ALA A 79 -8.310 14.081 -9.013 1.00 5.57 O ATOM 1158 CB ALA A 79 -6.486 11.476 -7.833 1.00 4.47 C ATOM 0 H ALA A 79 -5.281 12.755 -6.107 1.00 4.92 H new ATOM 0 HA ALA A 79 -6.003 13.441 -8.665 1.00 4.98 H new ATOM 0 HB1 ALA A 79 -7.035 11.120 -8.705 1.00 4.47 H new ATOM 0 HB2 ALA A 79 -5.453 11.134 -7.891 1.00 4.47 H new ATOM 0 HB3 ALA A 79 -6.948 11.083 -6.927 1.00 4.47 H new ATOM 1164 N GLY A 80 -8.789 13.469 -6.885 1.00 5.33 N ATOM 1165 CA GLY A 80 -10.190 13.926 -6.921 1.00 5.67 C ATOM 1166 C GLY A 80 -11.050 12.913 -7.690 1.00 5.54 C ATOM 1167 O GLY A 80 -11.060 11.725 -7.350 1.00 5.47 O ATOM 0 H GLY A 80 -8.505 13.074 -5.988 1.00 5.33 H new ATOM 0 HA2 GLY A 80 -10.570 14.042 -5.906 1.00 5.67 H new ATOM 0 HA3 GLY A 80 -10.251 14.904 -7.398 1.00 5.67 H new ATOM 1171 N SER A 81 -11.695 13.382 -8.769 1.00 5.62 N ATOM 1172 CA SER A 81 -12.512 12.506 -9.661 1.00 5.63 C ATOM 1173 C SER A 81 -11.729 11.585 -10.671 1.00 5.27 C ATOM 1174 O SER A 81 -12.348 11.023 -11.581 1.00 5.09 O ATOM 1175 CB SER A 81 -13.561 13.372 -10.406 1.00 6.05 C ATOM 1176 OG SER A 81 -14.230 14.308 -9.561 1.00 6.48 O ATOM 0 H SER A 81 -11.674 14.361 -9.055 1.00 5.62 H new ATOM 0 HA SER A 81 -12.983 11.788 -8.989 1.00 5.63 H new ATOM 0 HB2 SER A 81 -13.067 13.912 -11.214 1.00 6.05 H new ATOM 0 HB3 SER A 81 -14.301 12.717 -10.866 1.00 6.05 H new ATOM 0 HG SER A 81 -14.875 14.823 -10.089 1.00 6.48 H new ATOM 1182 N ILE A 82 -10.399 11.411 -10.519 1.00 5.23 N ATOM 1183 CA ILE A 82 -9.527 10.698 -11.500 1.00 4.91 C ATOM 1184 C ILE A 82 -8.421 9.966 -10.679 1.00 4.55 C ATOM 1185 O ILE A 82 -7.286 10.443 -10.588 1.00 4.69 O ATOM 1186 CB ILE A 82 -8.944 11.616 -12.659 1.00 5.09 C ATOM 1187 CG1 ILE A 82 -8.923 13.154 -12.378 1.00 5.24 C ATOM 1188 CG2 ILE A 82 -9.627 11.298 -14.008 1.00 5.26 C ATOM 1189 CD1 ILE A 82 -8.102 14.041 -13.324 1.00 5.20 C ATOM 0 H ILE A 82 -9.888 11.761 -9.708 1.00 5.23 H new ATOM 0 HA ILE A 82 -10.130 9.980 -12.056 1.00 4.91 H new ATOM 0 HB ILE A 82 -7.888 11.350 -12.707 1.00 5.09 H new ATOM 0 HG12 ILE A 82 -9.953 13.512 -12.392 1.00 5.24 H new ATOM 0 HG13 ILE A 82 -8.547 13.305 -11.366 1.00 5.24 H new ATOM 0 HG21 ILE A 82 -9.212 11.939 -14.786 1.00 5.26 H new ATOM 0 HG22 ILE A 82 -9.453 10.254 -14.267 1.00 5.26 H new ATOM 0 HG23 ILE A 82 -10.699 11.477 -13.924 1.00 5.26 H new ATOM 0 HD11 ILE A 82 -8.180 15.081 -13.007 1.00 5.20 H new ATOM 0 HD12 ILE A 82 -7.057 13.731 -13.298 1.00 5.20 H new ATOM 0 HD13 ILE A 82 -8.485 13.941 -14.340 1.00 5.20 H new ATOM 1201 N VAL A 83 -8.765 8.799 -10.092 1.00 4.20 N ATOM 1202 CA VAL A 83 -7.859 8.027 -9.193 1.00 3.88 C ATOM 1203 C VAL A 83 -7.372 6.798 -10.014 1.00 3.46 C ATOM 1204 O VAL A 83 -8.076 5.790 -10.108 1.00 3.20 O ATOM 1205 CB VAL A 83 -8.575 7.601 -7.860 1.00 3.89 C ATOM 1206 CG1 VAL A 83 -7.613 6.867 -6.896 1.00 3.85 C ATOM 1207 CG2 VAL A 83 -9.244 8.752 -7.074 1.00 4.26 C ATOM 0 H VAL A 83 -9.676 8.360 -10.224 1.00 4.20 H new ATOM 0 HA VAL A 83 -7.015 8.639 -8.875 1.00 3.88 H new ATOM 0 HB VAL A 83 -9.366 6.937 -8.208 1.00 3.89 H new ATOM 0 HG11 VAL A 83 -8.149 6.591 -5.988 1.00 3.85 H new ATOM 0 HG12 VAL A 83 -7.230 5.968 -7.379 1.00 3.85 H new ATOM 0 HG13 VAL A 83 -6.782 7.524 -6.641 1.00 3.85 H new ATOM 0 HG21 VAL A 83 -9.709 8.354 -6.172 1.00 4.26 H new ATOM 0 HG22 VAL A 83 -8.491 9.490 -6.799 1.00 4.26 H new ATOM 0 HG23 VAL A 83 -10.004 9.224 -7.696 1.00 4.26 H new ATOM 1217 N ARG A 84 -6.160 6.888 -10.583 1.00 3.56 N ATOM 1218 CA ARG A 84 -5.614 5.854 -11.505 1.00 3.37 C ATOM 1219 C ARG A 84 -4.396 5.141 -10.875 1.00 2.87 C ATOM 1220 O ARG A 84 -3.303 5.705 -10.805 1.00 2.87 O ATOM 1221 CB ARG A 84 -5.289 6.411 -12.913 1.00 3.96 C ATOM 1222 CG ARG A 84 -4.595 7.789 -12.974 1.00 4.47 C ATOM 1223 CD ARG A 84 -3.798 8.045 -14.261 1.00 5.10 C ATOM 1224 NE ARG A 84 -4.521 8.927 -15.208 1.00 5.56 N ATOM 1225 CZ ARG A 84 -3.918 9.657 -16.165 1.00 6.05 C ATOM 1226 NH1 ARG A 84 -2.607 9.623 -16.406 1.00 6.15 N ATOM 1227 NH2 ARG A 84 -4.665 10.454 -16.904 1.00 6.70 N ATOM 0 H ARG A 84 -5.526 7.671 -10.425 1.00 3.56 H new ATOM 0 HA ARG A 84 -6.401 5.115 -11.652 1.00 3.37 H new ATOM 0 HB2 ARG A 84 -4.655 5.688 -13.426 1.00 3.96 H new ATOM 0 HB3 ARG A 84 -6.220 6.474 -13.476 1.00 3.96 H new ATOM 0 HG2 ARG A 84 -5.351 8.567 -12.869 1.00 4.47 H new ATOM 0 HG3 ARG A 84 -3.923 7.881 -12.121 1.00 4.47 H new ATOM 0 HD2 ARG A 84 -2.839 8.497 -14.007 1.00 5.10 H new ATOM 0 HD3 ARG A 84 -3.583 7.093 -14.747 1.00 5.10 H new ATOM 0 HE ARG A 84 -5.536 8.984 -15.130 1.00 5.56 H new ATOM 0 HH11 ARG A 84 -2.002 9.019 -15.850 1.00 6.15 H new ATOM 0 HH12 ARG A 84 -2.209 10.201 -17.147 1.00 6.15 H new ATOM 0 HH21 ARG A 84 -5.671 10.505 -16.743 1.00 6.70 H new ATOM 0 HH22 ARG A 84 -4.237 11.020 -17.637 1.00 6.70 H new ATOM 1241 N LEU A 85 -4.601 3.884 -10.450 1.00 2.50 N ATOM 1242 CA LEU A 85 -3.598 3.109 -9.675 1.00 2.01 C ATOM 1243 C LEU A 85 -2.810 2.217 -10.658 1.00 2.14 C ATOM 1244 O LEU A 85 -3.376 1.316 -11.285 1.00 2.52 O ATOM 1245 CB LEU A 85 -4.176 2.262 -8.493 1.00 1.69 C ATOM 1246 CG LEU A 85 -5.695 2.245 -8.181 1.00 1.92 C ATOM 1247 CD1 LEU A 85 -5.970 1.210 -7.089 1.00 1.78 C ATOM 1248 CD2 LEU A 85 -6.258 3.616 -7.757 1.00 2.09 C ATOM 0 H LEU A 85 -5.463 3.370 -10.630 1.00 2.50 H new ATOM 0 HA LEU A 85 -2.949 3.835 -9.185 1.00 2.01 H new ATOM 0 HB2 LEU A 85 -3.876 1.229 -8.666 1.00 1.69 H new ATOM 0 HB3 LEU A 85 -3.669 2.594 -7.587 1.00 1.69 H new ATOM 0 HG LEU A 85 -6.206 1.982 -9.107 1.00 1.92 H new ATOM 0 HD11 LEU A 85 -7.036 1.193 -6.864 1.00 1.78 H new ATOM 0 HD12 LEU A 85 -5.656 0.225 -7.434 1.00 1.78 H new ATOM 0 HD13 LEU A 85 -5.414 1.474 -6.189 1.00 1.78 H new ATOM 0 HD21 LEU A 85 -7.325 3.525 -7.556 1.00 2.09 H new ATOM 0 HD22 LEU A 85 -5.747 3.957 -6.857 1.00 2.09 H new ATOM 0 HD23 LEU A 85 -6.101 4.338 -8.559 1.00 2.09 H new ATOM 1260 N TYR A 86 -1.493 2.456 -10.736 1.00 1.91 N ATOM 1261 CA TYR A 86 -0.568 1.637 -11.560 1.00 2.07 C ATOM 1262 C TYR A 86 -0.103 0.418 -10.734 1.00 1.85 C ATOM 1263 O TYR A 86 0.958 0.424 -10.107 1.00 1.45 O ATOM 1264 CB TYR A 86 0.628 2.520 -12.012 1.00 2.10 C ATOM 1265 CG TYR A 86 0.582 3.085 -13.427 1.00 2.64 C ATOM 1266 CD1 TYR A 86 -0.432 3.956 -13.858 1.00 3.31 C ATOM 1267 CD2 TYR A 86 1.596 2.735 -14.316 1.00 2.92 C ATOM 1268 CE1 TYR A 86 -0.442 4.413 -15.169 1.00 3.85 C ATOM 1269 CE2 TYR A 86 1.570 3.161 -15.631 1.00 3.42 C ATOM 1270 CZ TYR A 86 0.542 4.002 -16.068 1.00 3.75 C ATOM 1271 OH TYR A 86 0.514 4.404 -17.371 1.00 4.32 O ATOM 0 H TYR A 86 -1.033 3.216 -10.236 1.00 1.91 H new ATOM 0 HA TYR A 86 -1.069 1.267 -12.454 1.00 2.07 H new ATOM 0 HB2 TYR A 86 0.712 3.356 -11.317 1.00 2.10 H new ATOM 0 HB3 TYR A 86 1.539 1.930 -11.913 1.00 2.10 H new ATOM 0 HD1 TYR A 86 -1.203 4.270 -13.170 1.00 3.31 H new ATOM 0 HD2 TYR A 86 2.415 2.121 -13.972 1.00 2.92 H new ATOM 0 HE1 TYR A 86 -1.217 5.091 -15.495 1.00 3.85 H new ATOM 0 HE2 TYR A 86 2.341 2.845 -16.318 1.00 3.42 H new ATOM 0 HH TYR A 86 1.279 4.021 -17.848 1.00 4.32 H new ATOM 1281 N VAL A 87 -0.915 -0.642 -10.762 1.00 2.24 N ATOM 1282 CA VAL A 87 -0.620 -1.898 -10.038 1.00 2.31 C ATOM 1283 C VAL A 87 0.120 -2.804 -11.050 1.00 2.72 C ATOM 1284 O VAL A 87 -0.525 -3.468 -11.865 1.00 3.09 O ATOM 1285 CB VAL A 87 -1.906 -2.508 -9.380 1.00 2.53 C ATOM 1286 CG1 VAL A 87 -2.428 -1.638 -8.210 1.00 2.31 C ATOM 1287 CG2 VAL A 87 -3.069 -2.861 -10.343 1.00 3.20 C ATOM 0 H VAL A 87 -1.792 -0.662 -11.282 1.00 2.24 H new ATOM 0 HA VAL A 87 0.026 -1.748 -9.173 1.00 2.31 H new ATOM 0 HB VAL A 87 -1.552 -3.467 -9.002 1.00 2.53 H new ATOM 0 HG11 VAL A 87 -3.320 -2.098 -7.784 1.00 2.31 H new ATOM 0 HG12 VAL A 87 -1.658 -1.560 -7.443 1.00 2.31 H new ATOM 0 HG13 VAL A 87 -2.675 -0.642 -8.579 1.00 2.31 H new ATOM 0 HG21 VAL A 87 -3.901 -3.274 -9.773 1.00 3.20 H new ATOM 0 HG22 VAL A 87 -3.397 -1.961 -10.863 1.00 3.20 H new ATOM 0 HG23 VAL A 87 -2.728 -3.597 -11.071 1.00 3.20 H new ATOM 1297 N MET A 88 1.474 -2.822 -11.025 1.00 2.72 N ATOM 1298 CA MET A 88 2.271 -3.672 -11.955 1.00 3.12 C ATOM 1299 C MET A 88 1.932 -5.163 -11.725 1.00 3.58 C ATOM 1300 O MET A 88 2.156 -5.703 -10.635 1.00 3.56 O ATOM 1301 CB MET A 88 3.803 -3.467 -11.828 1.00 2.96 C ATOM 1302 CG MET A 88 4.339 -2.211 -12.523 1.00 3.26 C ATOM 1303 SD MET A 88 6.113 -2.022 -12.219 1.00 3.55 S ATOM 1304 CE MET A 88 6.867 -2.813 -13.651 1.00 4.44 C ATOM 0 H MET A 88 2.036 -2.266 -10.381 1.00 2.72 H new ATOM 0 HA MET A 88 1.995 -3.363 -12.963 1.00 3.12 H new ATOM 0 HB2 MET A 88 4.063 -3.420 -10.771 1.00 2.96 H new ATOM 0 HB3 MET A 88 4.309 -4.339 -12.242 1.00 2.96 H new ATOM 0 HG2 MET A 88 4.153 -2.275 -13.595 1.00 3.26 H new ATOM 0 HG3 MET A 88 3.807 -1.332 -12.159 1.00 3.26 H new ATOM 0 HE1 MET A 88 7.697 -3.440 -13.325 1.00 4.44 H new ATOM 0 HE2 MET A 88 6.125 -3.429 -14.159 1.00 4.44 H new ATOM 0 HE3 MET A 88 7.236 -2.050 -14.336 1.00 4.44 H new ATOM 1314 N ARG A 89 1.340 -5.782 -12.763 1.00 4.09 N ATOM 1315 CA ARG A 89 0.829 -7.171 -12.703 1.00 4.61 C ATOM 1316 C ARG A 89 1.965 -8.161 -12.369 1.00 4.86 C ATOM 1317 O ARG A 89 2.961 -8.158 -13.090 1.00 4.99 O ATOM 1318 CB ARG A 89 0.191 -7.559 -14.075 1.00 5.10 C ATOM 1319 CG ARG A 89 -1.276 -8.011 -13.966 1.00 5.47 C ATOM 1320 CD ARG A 89 -1.638 -9.166 -14.913 1.00 6.26 C ATOM 1321 NE ARG A 89 -2.948 -9.750 -14.537 1.00 6.61 N ATOM 1322 CZ ARG A 89 -3.306 -11.027 -14.768 1.00 7.05 C ATOM 1323 NH1 ARG A 89 -2.569 -11.892 -15.464 1.00 7.26 N ATOM 1324 NH2 ARG A 89 -4.454 -11.447 -14.272 1.00 7.55 N ATOM 0 H ARG A 89 1.201 -5.336 -13.670 1.00 4.09 H new ATOM 0 HA ARG A 89 0.076 -7.225 -11.917 1.00 4.61 H new ATOM 0 HB2 ARG A 89 0.250 -6.704 -14.748 1.00 5.10 H new ATOM 0 HB3 ARG A 89 0.777 -8.360 -14.525 1.00 5.10 H new ATOM 0 HG2 ARG A 89 -1.477 -8.318 -12.940 1.00 5.47 H new ATOM 0 HG3 ARG A 89 -1.925 -7.162 -14.178 1.00 5.47 H new ATOM 0 HD2 ARG A 89 -1.675 -8.804 -15.941 1.00 6.26 H new ATOM 0 HD3 ARG A 89 -0.865 -9.934 -14.873 1.00 6.26 H new ATOM 0 HE ARG A 89 -3.623 -9.143 -14.072 1.00 6.61 H new ATOM 0 HH11 ARG A 89 -1.675 -11.599 -15.858 1.00 7.26 H new ATOM 0 HH12 ARG A 89 -2.899 -12.847 -15.603 1.00 7.26 H new ATOM 0 HH21 ARG A 89 -5.040 -10.810 -13.732 1.00 7.55 H new ATOM 0 HH22 ARG A 89 -4.756 -12.409 -14.428 1.00 7.55 H new ATOM 1338 N ARG A 90 1.821 -8.961 -11.296 1.00 5.03 N ATOM 1339 CA ARG A 90 2.923 -9.797 -10.735 1.00 5.39 C ATOM 1340 C ARG A 90 3.793 -10.564 -11.788 1.00 5.83 C ATOM 1341 O ARG A 90 3.272 -11.248 -12.674 1.00 5.78 O ATOM 1342 CB ARG A 90 2.347 -10.781 -9.672 1.00 5.59 C ATOM 1343 CG ARG A 90 2.698 -10.441 -8.201 1.00 5.94 C ATOM 1344 CD ARG A 90 2.738 -11.682 -7.286 1.00 6.43 C ATOM 1345 NE ARG A 90 4.014 -12.427 -7.467 1.00 6.90 N ATOM 1346 CZ ARG A 90 4.181 -13.744 -7.244 1.00 7.35 C ATOM 1347 NH1 ARG A 90 3.208 -14.563 -6.851 1.00 7.38 N ATOM 1348 NH2 ARG A 90 5.386 -14.252 -7.429 1.00 8.05 N ATOM 0 H ARG A 90 0.942 -9.053 -10.787 1.00 5.03 H new ATOM 0 HA ARG A 90 3.617 -9.093 -10.275 1.00 5.39 H new ATOM 0 HB2 ARG A 90 1.262 -10.806 -9.774 1.00 5.59 H new ATOM 0 HB3 ARG A 90 2.711 -11.784 -9.893 1.00 5.59 H new ATOM 0 HG2 ARG A 90 3.667 -9.943 -8.171 1.00 5.94 H new ATOM 0 HG3 ARG A 90 1.965 -9.734 -7.813 1.00 5.94 H new ATOM 0 HD2 ARG A 90 2.634 -11.376 -6.245 1.00 6.43 H new ATOM 0 HD3 ARG A 90 1.895 -12.334 -7.512 1.00 6.43 H new ATOM 0 HE ARG A 90 4.826 -11.898 -7.785 1.00 6.90 H new ATOM 0 HH11 ARG A 90 2.266 -14.201 -6.701 1.00 7.38 H new ATOM 0 HH12 ARG A 90 3.404 -15.553 -6.700 1.00 7.38 H new ATOM 0 HH21 ARG A 90 6.152 -13.650 -7.731 1.00 8.05 H new ATOM 0 HH22 ARG A 90 5.550 -15.246 -7.270 1.00 8.05 H new ATOM 1362 N LYS A 91 5.113 -10.348 -11.696 1.00 6.59 N ATOM 1363 CA LYS A 91 6.095 -10.692 -12.761 1.00 7.34 C ATOM 1364 C LYS A 91 7.453 -11.064 -12.088 1.00 7.80 C ATOM 1365 O LYS A 91 7.815 -12.237 -12.233 1.00 8.10 O ATOM 1366 CB LYS A 91 6.246 -9.693 -13.962 1.00 8.00 C ATOM 1367 CG LYS A 91 5.813 -8.207 -13.809 1.00 8.52 C ATOM 1368 CD LYS A 91 6.885 -7.116 -14.032 1.00 9.10 C ATOM 1369 CE LYS A 91 6.573 -6.105 -15.141 1.00 9.81 C ATOM 1370 NZ LYS A 91 6.653 -6.723 -16.471 1.00 10.33 N ATOM 0 H LYS A 91 5.544 -9.925 -10.874 1.00 6.59 H new ATOM 0 HA LYS A 91 5.675 -11.552 -13.282 1.00 7.34 H new ATOM 0 HB2 LYS A 91 7.297 -9.694 -14.252 1.00 8.00 H new ATOM 0 HB3 LYS A 91 5.684 -10.108 -14.799 1.00 8.00 H new ATOM 0 HG2 LYS A 91 4.997 -8.022 -14.508 1.00 8.52 H new ATOM 0 HG3 LYS A 91 5.408 -8.078 -12.805 1.00 8.52 H new ATOM 0 HD2 LYS A 91 7.026 -6.573 -13.098 1.00 9.10 H new ATOM 0 HD3 LYS A 91 7.832 -7.603 -14.264 1.00 9.10 H new ATOM 0 HE2 LYS A 91 5.575 -5.693 -14.989 1.00 9.81 H new ATOM 0 HE3 LYS A 91 7.274 -5.272 -15.083 1.00 9.81 H new ATOM 0 HZ1 LYS A 91 6.639 -5.981 -17.200 1.00 10.33 H new ATOM 0 HZ2 LYS A 91 7.536 -7.268 -16.548 1.00 10.33 H new ATOM 0 HZ3 LYS A 91 5.841 -7.358 -16.608 1.00 10.33 H new ATOM 1384 N PRO A 92 8.224 -10.195 -11.350 1.00 8.12 N ATOM 1385 CA PRO A 92 9.510 -10.569 -10.710 1.00 8.79 C ATOM 1386 C PRO A 92 9.418 -11.797 -9.741 1.00 9.30 C ATOM 1387 O PRO A 92 8.594 -11.737 -8.821 1.00 9.33 O ATOM 1388 CB PRO A 92 9.965 -9.278 -9.992 1.00 9.24 C ATOM 1389 CG PRO A 92 8.772 -8.324 -10.014 1.00 8.87 C ATOM 1390 CD PRO A 92 7.981 -8.748 -11.241 1.00 8.18 C ATOM 0 HA PRO A 92 10.229 -10.915 -11.453 1.00 8.79 H new ATOM 0 HB2 PRO A 92 10.272 -9.491 -8.968 1.00 9.24 H new ATOM 0 HB3 PRO A 92 10.824 -8.836 -10.497 1.00 9.24 H new ATOM 0 HG2 PRO A 92 8.176 -8.410 -9.106 1.00 8.87 H new ATOM 0 HG3 PRO A 92 9.094 -7.285 -10.086 1.00 8.87 H new ATOM 0 HD2 PRO A 92 6.919 -8.531 -11.124 1.00 8.18 H new ATOM 0 HD3 PRO A 92 8.318 -8.220 -12.133 1.00 8.18 H new ATOM 1398 N PRO A 93 10.207 -12.903 -9.906 1.00 9.94 N ATOM 1399 CA PRO A 93 10.123 -14.107 -9.037 1.00 10.66 C ATOM 1400 C PRO A 93 10.263 -13.895 -7.509 1.00 10.79 C ATOM 1401 O PRO A 93 11.013 -12.993 -7.071 1.00 11.08 O ATOM 1402 CB PRO A 93 11.253 -15.002 -9.582 1.00 11.45 C ATOM 1403 CG PRO A 93 11.425 -14.598 -11.044 1.00 11.14 C ATOM 1404 CD PRO A 93 11.103 -13.106 -11.064 1.00 10.26 C ATOM 1405 OXT PRO A 93 9.609 -14.638 -6.744 1.00 10.78 O ATOM 0 HA PRO A 93 9.118 -14.525 -9.092 1.00 10.66 H new ATOM 0 HB2 PRO A 93 12.176 -14.852 -9.022 1.00 11.45 H new ATOM 0 HB3 PRO A 93 10.995 -16.057 -9.494 1.00 11.45 H new ATOM 0 HG2 PRO A 93 12.439 -14.791 -11.393 1.00 11.14 H new ATOM 0 HG3 PRO A 93 10.753 -15.159 -11.693 1.00 11.14 H new ATOM 0 HD2 PRO A 93 12.007 -12.504 -10.976 1.00 10.26 H new ATOM 0 HD3 PRO A 93 10.618 -12.818 -11.996 1.00 10.26 H new TER 1413 PRO A 93 END