USER MOD reduce.3.24.130724 H: found=0, std=0, add=1479, rem=0, adj=65 USER MOD reduce.3.24.130724 removed 201 hydrogens (0 hets) HEADER ANTIVIRAL PROTEIN 06-MAR-02 1L5E TITLE THE DOMAIN-SWAPPED DIMER OF CV-N IN SOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYANOVIRIN-N; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: CV-N; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC ELLIPSOSPORUM; SOURCE 3 ORGANISM_TAXID: 45916; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET KEYWDS 3D DOMAIN-SWAPPING, CYANOVIRIN-N, PROTEIN FOLDING, NMR, X- KEYWDS 2 RAY, ANTIVIRAL PROTEIN EXPDTA SOLUTION NMR AUTHOR L.G.BARRIENTOS,J.M.LOUIS,I.BOTOS,T.MORI,Z.HAN,B.R.O'KEEFE, AUTHOR 2 M.R.BOYD,A.WLODAWER,A.M.GRONENBORN REVDAT 3 24-FEB-09 1L5E 1 VERSN REVDAT 2 01-APR-03 1L5E 1 JRNL REVDAT 1 05-JUN-02 1L5E 0 JRNL AUTH L.G.BARRIENTOS,J.M.LOUIS,I.BOTOS,T.MORI,Z.HAN, JRNL AUTH 2 B.R.O'KEEFE,M.R.BOYD,A.WLODAWER,A.M.GRONENBORN JRNL TITL THE DOMAIN-SWAPPED DIMER OF CYANOVIRIN-N IS IN A JRNL TITL 2 METASTABLE FOLDED STATE: RECONCILIATION OF X-RAY JRNL TITL 3 AND NMR STRUCTURES. JRNL REF STRUCTURE V. 10 673 2002 JRNL REFN ISSN 0969-2126 JRNL PMID 12015150 JRNL DOI 10.1016/S0969-2126(02)00758-X REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PALES REMARK 3 AUTHORS : M.ZWECKSTETTER, A.BAX REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE COORDINATES OF THE INDIVIDUAL REMARK 3 DOMAINS OF THE DOMAIN SWAPPED DIMER CV-N WERE TAKEN DIRECTLY REMARK 3 FROM THE X-RAY COORDINATES, 3EZM AND 1L5B. THE ONLY PROTONS REMARK 3 ADDED ARE THE HNE1 OF W(49/150) AND ALL THE BACKBONE AMIDE REMARK 3 PROTONS (HN), SINCE DOMAIN-DOMAIN ORIENTATION WAS BASED ONLY REMARK 3 ON HN/HNE1 RESIDUAL DIPOLAR COUPLINGS. THE STARTING REMARK 3 COORDINATES WERE THOSE OF TWO PSEUDO-MONOMER UNITS (AB' AND A' REMARK 3 B) EXTRACTED FROM THE REFINED TRIGONAL 1.5 X-RAY STRUCTURE, IN REMARK 3 WHICH PROLINE 51 AT THE JUNCTION BETWEEN A AND B WAS REMOVED, REMARK 3 ALLOWING FOR FREE ROTATION AROUND THIS JUNCTION. WE THEN REMARK 3 TREATED AB' AND A'B AS TWO INDEPENDENT SUB-DOMAINS. ASSUMING REMARK 3 THAT THE ORIENTATION OF THE TWO SUB-DOMAINS IS FIXED IN REMARK 3 SOLUTION (AT LEAST TO A FIRST APPROXIMATION), THE PRINCIPAL REMARK 3 AXIS SYSTEMS, OR ALIGNMENT FRAMES, OF SUB-DOMAINS AB' AND A'B REMARK 3 SHOULD BE EQUIVALENT TO THE ALIGNMENT SYSTEM OF THE ENTIRE REMARK 3 MOLECULE AND, VICE VERSA, TO EACH OTHER. USING THE RESIDUAL REMARK 3 DIPOLAR COUPLINGS WE CALCULATED THE ORDER TENSOR PRINCIPAL REMARK 3 AXIS SYSTEMS FOR EACH DOMAIN. ROTATION OF PSEUDO SUB-DOMAIN A' REMARK 3 B AROUND THE HINGE AT AMINO ACID POSITION 51 UNTIL A REMARK 3 SUPERPOSITION OF THE INDIVIDUAL COORDINATE FRAMES WAS OBTAINED REMARK 3 YIELDED THE FINAL MODEL OF THE SOLUTION DIMER. REMARK 4 REMARK 4 1L5E COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-MAR-02. REMARK 100 THE RCSB ID CODE IS RCSB015656. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 293 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 0.150 MM PROTEIN IN 25 MM REMARK 210 SODIUM PHOSPHATE BUFFER, PH REMARK 210 8.0 AND 0.02 % NAN3 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D IPAP [15N-1H]-HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 2.1, PALES REMARK 210 METHOD USED : DETERMINATION OF THE DOMAIN REMARK 210 ORIENTATION FOR THE SOLUTION REMARK 210 STRUCTURE OF THE DIMER WAS REMARK 210 CARRIED OUT USING A PROCEDURE REMARK 210 ANALOGOUS TO THE ONE DESCRIBED REMARK 210 FOR DETERMINING THE RELATIVE REMARK 210 DOMAIN ORIENTATION IN A TWO- REMARK 210 DOMAIN PROTEIN FRAGMENT OF A REMARK 210 LECTIN. REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: RESIDUAL DIPOLAR COUPLINGS WERE MEASURED IN THE REMARK 210 PRESENCE OF A COLLOIDAL PHAGE SOLUTION OF 11.5 MG/ML PF1. 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 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 VAL A 39 CB - CA - C ANGL. DEV. = -11.7 DEGREES REMARK 500 GLN A 50 N - CA - CB ANGL. DEV. = -15.8 DEGREES REMARK 500 VAL B 140 CB - CA - C ANGL. DEV. = -11.9 DEGREES REMARK 500 GLN B 151 N - CA - CB ANGL. DEV. = -15.8 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 GLN A 50 -155.93 -124.94 REMARK 500 ASN A 53 -174.73 169.59 REMARK 500 SER A 67 5.10 -151.08 REMARK 500 GLN B 151 -155.28 -124.60 REMARK 500 ASN B 154 -174.65 169.40 REMARK 500 SER B 168 5.10 -151.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 VAL A 39 14.44 REMARK 500 VAL B 140 14.57 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2EZM RELATED DB: PDB REMARK 900 SOLUTION NMR STRUCTURE OF CYANOVIRIN-N, RESTRAINED REMARK 900 REGULARIZED MEAN COORDINATES REMARK 900 RELATED ID: 3EZM RELATED DB: PDB REMARK 900 X-RAY STRUCTURE OF CYANOVIRIN-N; DOMAIN-SWAPPED DIMER REMARK 900 RELATED ID: 1L5B RELATED DB: PDB REMARK 900 DOMAIN-SWAPPED CYANOVIRIN-N DIMER DBREF 1L5E A 1 101 UNP P81180 CVN_NOSEL 1 101 DBREF 1L5E B 102 202 UNP P81180 CVN_NOSEL 1 101 SEQRES 1 A 101 LEU GLY LYS PHE SER GLN THR CYS TYR ASN SER ALA ILE SEQRES 2 A 101 GLN GLY SER VAL LEU THR SER THR CYS GLU ARG THR ASN SEQRES 3 A 101 GLY GLY TYR ASN THR SER SER ILE ASP LEU ASN SER VAL SEQRES 4 A 101 ILE GLU ASN VAL ASP GLY SER LEU LYS TRP GLN PRO SER SEQRES 5 A 101 ASN PHE ILE GLU THR CYS ARG ASN THR GLN LEU ALA GLY SEQRES 6 A 101 SER SER GLU LEU ALA ALA GLU CYS LYS THR ARG ALA GLN SEQRES 7 A 101 GLN PHE VAL SER THR LYS ILE ASN LEU ASP ASP HIS ILE SEQRES 8 A 101 ALA ASN ILE ASP GLY THR LEU LYS TYR GLU SEQRES 1 B 101 LEU GLY LYS PHE SER GLN THR CYS TYR ASN SER ALA ILE SEQRES 2 B 101 GLN GLY SER VAL LEU THR SER THR CYS GLU ARG THR ASN SEQRES 3 B 101 GLY GLY TYR ASN THR SER SER ILE ASP LEU ASN SER VAL SEQRES 4 B 101 ILE GLU ASN VAL ASP GLY SER LEU LYS TRP GLN PRO SER SEQRES 5 B 101 ASN PHE ILE GLU THR CYS ARG ASN THR GLN LEU ALA GLY SEQRES 6 B 101 SER SER GLU LEU ALA ALA GLU CYS LYS THR ARG ALA GLN SEQRES 7 B 101 GLN PHE VAL SER THR LYS ILE ASN LEU ASP ASP HIS ILE SEQRES 8 B 101 ALA ASN ILE ASP GLY THR LEU LYS TYR GLU HELIX 1 1 LYS A 3 GLN A 6 5 4 HELIX 2 2 LYS B 104 GLN B 107 5 4 SHEET 1 A 3 CYS A 8 GLN A 14 0 SHEET 2 A 3 VAL A 17 GLU A 23 -1 O THR A 19 N ALA A 12 SHEET 3 A 3 TYR A 29 ASP A 35 -1 O ASN A 30 N CYS A 22 SHEET 1 B 2 ILE A 40 VAL A 43 0 SHEET 2 B 2 SER A 46 TRP A 49 -1 O LYS A 48 N GLU A 41 SHEET 1 C 3 CYS A 58 ALA A 64 0 SHEET 2 C 3 GLU A 68 LYS A 74 -1 O GLU A 68 N ALA A 64 SHEET 3 C 3 PHE A 80 ASN A 86 -1 O ILE A 85 N LEU A 69 SHEET 1 D 2 ILE A 91 ILE A 94 0 SHEET 2 D 2 THR A 97 TYR A 100 -1 O LYS A 99 N ALA A 92 SHEET 1 E 3 CYS B 109 GLN B 115 0 SHEET 2 E 3 VAL B 118 GLU B 124 -1 O THR B 120 N ALA B 113 SHEET 3 E 3 TYR B 130 ASP B 136 -1 O ASN B 131 N CYS B 123 SHEET 1 F 2 ILE B 141 VAL B 144 0 SHEET 2 F 2 SER B 147 TRP B 150 -1 O LYS B 149 N GLU B 142 SHEET 1 G 3 CYS B 159 ALA B 165 0 SHEET 2 G 3 GLU B 169 LYS B 175 -1 O GLU B 169 N ALA B 165 SHEET 3 G 3 PHE B 181 ASN B 187 -1 O ILE B 186 N LEU B 170 SHEET 1 H 2 ILE B 192 ILE B 195 0 SHEET 2 H 2 THR B 198 TYR B 201 -1 O LYS B 200 N ALA B 193 SSBOND *** CYS A 8 CYS A 22 1555 1555 2.03 SSBOND *** CYS A 58 CYS A 73 1555 1555 2.04 SSBOND *** CYS B 109 CYS B 123 1555 1555 2.03 SSBOND *** CYS B 159 CYS B 174 1555 1555 2.04 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: B 168 SER OG : rot 107:sc= 0.497 USER MOD Set 1.2: B 187 ASN : amide:sc= 0.208 K(o=0.71,f=-7.4!) USER MOD Set 2.1: B 175 LYS NZ :NH3+ 177:sc= 0.533 (180deg=0) USER MOD Set 2.2: B 179 GLN : amide:sc= 0.692 K(o=1.2,f=-1.8) USER MOD Set 3.1: B 161 ASN : amide:sc= 1.09 K(o=2,f=-1.5) USER MOD Set 3.2: B 163 GLN :FLIP amide:sc= 0.897 F(o=-1.5!,f=2) USER MOD Set 4.1: B 153 SER OG : rot 160:sc= -0.0329 USER MOD Set 4.2: B 154 ASN : amide:sc= -1.2 K(o=-1.2,f=-11!) USER MOD Set 5.1: B 147 SER OG : rot 159:sc= -0.93 USER MOD Set 5.2: B 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 57 THR OG1 : rot -160:sc= 0.604 USER MOD Set 6.2: B 143 ASN : amide:sc= 1.46 K(o=2.1,f=-6.7!) USER MOD Set 7.1: B 117 SER OG : rot 118:sc= 1.18 USER MOD Set 7.2: B 138 ASN : amide:sc= -8.24! C(o=-7.1!,f=-13!) USER MOD Set 8.1: B 120 THR OG1 : rot -73:sc= 1.16 USER MOD Set 8.2: B 134 SER OG : rot 180:sc= 0.989 USER MOD Set 9.1: B 122 THR OG1 : rot -70:sc= 0.713 USER MOD Set 9.2: B 132 THR OG1 : rot 180:sc= 0.652 USER MOD Set10.1: B 112 SER OG : rot 170:sc= 1.01 USER MOD Set10.2: B 121 SER OG : rot 128:sc= 0.418 USER MOD Set11.1: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set11.2: B 131 ASN : amide:sc= 0.74 K(o=0.74,f=0) USER MOD Set12.1: A 93 ASN : amide:sc= -0.223! C(o=0.36!,f=-7!) USER MOD Set12.2: B 108 THR OG1 : rot 180:sc= 0.579 USER MOD Set13.1: A 67 SER OG : rot 108:sc= 0.504 USER MOD Set13.2: A 86 ASN : amide:sc= 0.24 K(o=0.74,f=-7.7!) USER MOD Set14.1: A 74 LYS NZ :NH3+ 176:sc= 0.539 (180deg=0) USER MOD Set14.2: A 78 GLN : amide:sc= 0.696 K(o=1.2,f=-1.9) USER MOD Set15.1: A 60 ASN : amide:sc= 1.09 K(o=2,f=-1.5) USER MOD Set15.2: A 62 GLN :FLIP amide:sc= 0.917 F(o=-1.5!,f=2) USER MOD Set16.1: A 52 SER OG : rot 160:sc= -0.0858 USER MOD Set16.2: A 53 ASN : amide:sc= -1.37 K(o=-1.5,f=-11!) USER MOD Set17.1: A 50 GLN :FLIP amide:sc= -2.89 F(o=-7.8!,f=-5.7) USER MOD Set17.2: B 151 GLN :FLIP amide:sc= -2.81 F(o=-7.9!,f=-5.7) USER MOD Set18.1: A 46 SER OG : rot 150:sc= -0.951 USER MOD Set18.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set19.1: A 42 ASN : amide:sc= 1.37 K(o=2,f=-6.7!) USER MOD Set19.2: B 158 THR OG1 : rot -160:sc= 0.603 USER MOD Set20.1: A 30 ASN : amide:sc= 0.719 K(o=0.72,f=-0.011) USER MOD Set20.2: B 198 THR OG1 : rot 180:sc= 0 USER MOD Set21.1: A 21 THR OG1 : rot -70:sc= 0.714 USER MOD Set21.2: A 31 THR OG1 : rot 180:sc= 0.639 USER MOD Set22.1: A 19 THR OG1 : rot -73:sc= 1.15 USER MOD Set22.2: A 33 SER OG : rot 180:sc= 0.978 USER MOD Set23.1: A 16 SER OG : rot 112:sc= 1.2 USER MOD Set23.2: A 37 ASN : amide:sc= -8.14! C(o=-6.9!,f=-13!) USER MOD Set24.1: A 11 SER OG : rot 170:sc= 1.11 USER MOD Set24.2: A 20 SER OG : rot 108:sc= 0.396 USER MOD Set25.1: A 7 THR OG1 : rot -160:sc= 1 USER MOD Set25.2: B 194 ASN : amide:sc= 0.828 K(o=1.8,f=-6.6!) USER MOD Single : A 1 LEU N :NH3+ -121:sc= 0.0929 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -136:sc= 1.29 USER MOD Single : A 6 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.14) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.25 K(o=-0.25,f=-2.4!) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.655 F(o=-2.8!,f=-0.65) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.849! C(o=-0.85!,f=-0.85!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 76:sc= 0.706 USER MOD Single : A 38 SER OG : rot 95:sc= 1.3 USER MOD Single : A 61 THR OG1 : rot -175:sc= 1.24 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00612 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 90:sc= 0.269 USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0604) USER MOD Single : A 90 HIS : no HE2:sc=-0.00736 K(o=-0.0074,f=-3.8!) USER MOD Single : A 99 LYS NZ :NH3+ -162:sc= -0.105 (180deg=-0.5) USER MOD Single : A 100 TYR OH : rot 40:sc= -0.0981 USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 SER OG : rot -135:sc= 1.3 USER MOD Single : B 107 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.17) USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 111 ASN : amide:sc= -0.25 K(o=-0.25,f=-2.4!) USER MOD Single : B 115 GLN :FLIP amide:sc= -0.628 F(o=-2.6,f=-0.63) USER MOD Single : B 126 THR OG1 : rot 180:sc= 0 USER MOD Single : B 127 ASN : amide:sc= -1.03! C(o=-1!,f=-1!) USER MOD Single : B 130 TYR OH : rot 180:sc= 0 USER MOD Single : B 133 SER OG : rot 78:sc= 0.725 USER MOD Single : B 139 SER OG : rot 102:sc= 1.29 USER MOD Single : B 162 THR OG1 : rot 166:sc= 1.25 USER MOD Single : B 167 SER OG : rot 180:sc= 0 USER MOD Single : B 176 THR OG1 : rot 180:sc= 0.00591 USER MOD Single : B 180 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 183 SER OG : rot 180:sc= 0 USER MOD Single : B 184 THR OG1 : rot 90:sc= 0.262 USER MOD Single : B 185 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0545) USER MOD Single : B 191 HIS : no HE2:sc= 0.258 K(o=0.26,f=-3.8!) USER MOD Single : B 200 LYS NZ :NH3+ -161:sc= -0.0489 (180deg=-0.44) USER MOD Single : B 201 TYR OH : rot 57:sc= 0.129 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -9.340 -7.010 6.417 1.00 0.00 N ATOM 2 CA LEU A 1 -8.331 -5.910 6.456 1.00 0.00 C ATOM 3 C LEU A 1 -8.462 -5.013 5.232 1.00 0.00 C ATOM 4 O LEU A 1 -9.091 -5.393 4.245 1.00 0.00 O ATOM 5 CB LEU A 1 -6.909 -6.484 6.485 1.00 0.00 C ATOM 6 CG LEU A 1 -6.480 -7.406 7.628 1.00 0.00 C ATOM 7 CD1 LEU A 1 -5.076 -7.927 7.354 1.00 0.00 C ATOM 8 CD2 LEU A 1 -6.518 -6.656 8.945 1.00 0.00 C ATOM 0 H1 LEU A 1 -9.945 -6.957 7.261 1.00 0.00 H new ATOM 0 H2 LEU A 1 -9.927 -6.912 5.564 1.00 0.00 H new ATOM 0 H3 LEU A 1 -8.852 -7.928 6.398 1.00 0.00 H new ATOM 0 HA LEU A 1 -8.515 -5.328 7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -6.761 -7.031 5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -6.219 -5.641 6.472 1.00 0.00 H new ATOM 0 HG LEU A 1 -7.168 -8.249 7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -4.767 -8.584 8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.071 -8.482 6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -4.384 -7.088 7.283 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -6.211 -7.322 9.752 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -5.839 -5.805 8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.532 -6.302 9.133 1.00 0.00 H new ATOM 9 N GLY A 2 -7.863 -3.825 5.314 1.00 0.00 N ATOM 10 CA GLY A 2 -7.868 -2.873 4.210 1.00 0.00 C ATOM 11 C GLY A 2 -9.194 -2.235 3.847 1.00 0.00 C ATOM 12 O GLY A 2 -9.865 -1.643 4.693 1.00 0.00 O ATOM 0 H GLY A 2 -7.365 -3.500 6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -7.165 -2.076 4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.485 -3.381 3.325 1.00 0.00 H new ATOM 14 N LYS A 3 -9.541 -2.324 2.562 1.00 0.00 N ATOM 15 CA LYS A 3 -10.796 -1.795 2.020 1.00 0.00 C ATOM 16 C LYS A 3 -10.923 -0.273 1.990 1.00 0.00 C ATOM 17 O LYS A 3 -12.036 0.255 1.937 1.00 0.00 O ATOM 18 CB LYS A 3 -11.991 -2.372 2.794 1.00 0.00 C ATOM 19 CG LYS A 3 -12.009 -3.887 2.884 1.00 0.00 C ATOM 20 CD LYS A 3 -13.224 -4.367 3.663 1.00 0.00 C ATOM 21 CE LYS A 3 -13.269 -5.880 3.745 1.00 0.00 C ATOM 22 NZ LYS A 3 -14.476 -6.346 4.490 1.00 0.00 N ATOM 0 H LYS A 3 -8.952 -2.771 1.859 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.790 -2.112 0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.987 -1.961 3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.912 -2.038 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.021 -4.315 1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -11.098 -4.238 3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.202 -3.948 4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.132 -4.000 3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.274 -6.301 2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.369 -6.247 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.480 -7.385 4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.457 -5.963 5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.334 -6.015 4.003 1.00 0.00 H new ATOM 24 N PHE A 4 -9.801 0.440 2.002 1.00 0.00 N ATOM 25 CA PHE A 4 -9.847 1.901 1.991 1.00 0.00 C ATOM 26 C PHE A 4 -10.653 2.494 0.832 1.00 0.00 C ATOM 27 O PHE A 4 -11.345 3.494 1.006 1.00 0.00 O ATOM 28 CB PHE A 4 -8.427 2.480 1.947 1.00 0.00 C ATOM 29 CG PHE A 4 -7.841 2.543 0.563 1.00 0.00 C ATOM 30 CD1 PHE A 4 -7.218 1.429 0.009 1.00 0.00 C ATOM 31 CD2 PHE A 4 -7.962 3.697 -0.211 1.00 0.00 C ATOM 32 CE1 PHE A 4 -6.728 1.458 -1.296 1.00 0.00 C ATOM 33 CE2 PHE A 4 -7.475 3.738 -1.515 1.00 0.00 C ATOM 34 CZ PHE A 4 -6.857 2.616 -2.060 1.00 0.00 C ATOM 0 H PHE A 4 -8.863 0.040 2.019 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.357 2.179 2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.440 3.484 2.372 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -7.778 1.875 2.579 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.113 0.530 0.598 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.440 4.571 0.207 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.249 0.585 -1.714 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.577 4.639 -2.102 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.479 2.643 -3.071 1.00 0.00 H new ATOM 36 N SER A 5 -10.575 1.879 -0.345 1.00 0.00 N ATOM 37 CA SER A 5 -11.262 2.420 -1.515 1.00 0.00 C ATOM 38 C SER A 5 -12.760 2.645 -1.352 1.00 0.00 C ATOM 39 O SER A 5 -13.327 3.529 -1.991 1.00 0.00 O ATOM 40 CB SER A 5 -11.010 1.542 -2.752 1.00 0.00 C ATOM 41 OG SER A 5 -11.703 0.309 -2.682 1.00 0.00 O ATOM 0 H SER A 5 -10.052 1.020 -0.514 1.00 0.00 H new ATOM 0 HA SER A 5 -10.826 3.411 -1.644 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.320 2.081 -3.647 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.941 1.351 -2.849 1.00 0.00 H new ATOM 0 HG SER A 5 -11.110 -0.416 -2.971 1.00 0.00 H new ATOM 43 N GLN A 6 -13.402 1.869 -0.487 1.00 0.00 N ATOM 44 CA GLN A 6 -14.838 2.012 -0.287 1.00 0.00 C ATOM 45 C GLN A 6 -15.283 3.329 0.332 1.00 0.00 C ATOM 46 O GLN A 6 -16.420 3.753 0.123 1.00 0.00 O ATOM 47 CB GLN A 6 -15.366 0.855 0.561 1.00 0.00 C ATOM 48 CG GLN A 6 -15.604 -0.411 -0.234 1.00 0.00 C ATOM 49 CD GLN A 6 -16.696 -0.226 -1.263 1.00 0.00 C ATOM 50 OE1 GLN A 6 -17.825 0.127 -0.924 1.00 0.00 O ATOM 51 NE2 GLN A 6 -16.368 -0.458 -2.531 1.00 0.00 N ATOM 0 H GLN A 6 -12.959 1.145 0.079 1.00 0.00 H new ATOM 0 HA GLN A 6 -15.262 1.999 -1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.655 0.646 1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.299 1.158 1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.681 -0.707 -0.732 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.875 -1.221 0.443 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.419 -0.749 -2.767 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.065 -0.345 -3.267 1.00 0.00 H new ATOM 53 N THR A 7 -14.402 3.979 1.086 1.00 0.00 N ATOM 54 CA THR A 7 -14.765 5.240 1.726 1.00 0.00 C ATOM 55 C THR A 7 -13.809 6.394 1.442 1.00 0.00 C ATOM 56 O THR A 7 -13.699 7.333 2.231 1.00 0.00 O ATOM 57 CB THR A 7 -14.895 5.062 3.252 1.00 0.00 C ATOM 58 OG1 THR A 7 -13.668 4.552 3.785 1.00 0.00 O ATOM 59 CG2 THR A 7 -16.031 4.094 3.571 1.00 0.00 C ATOM 0 H THR A 7 -13.450 3.662 1.267 1.00 0.00 H new ATOM 0 HA THR A 7 -15.724 5.510 1.283 1.00 0.00 H new ATOM 0 HB THR A 7 -15.113 6.030 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.836 4.146 4.661 1.00 0.00 H new ATOM 0 HG21 THR A 7 -16.115 3.975 4.651 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.967 4.489 3.176 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.824 3.126 3.114 1.00 0.00 H new ATOM 61 N CYS A 8 -13.119 6.317 0.309 1.00 0.00 N ATOM 62 CA CYS A 8 -12.190 7.364 -0.093 1.00 0.00 C ATOM 63 C CYS A 8 -12.429 7.672 -1.571 1.00 0.00 C ATOM 64 O CYS A 8 -13.119 6.917 -2.267 1.00 0.00 O ATOM 65 CB CYS A 8 -10.739 6.907 0.075 1.00 0.00 C ATOM 66 SG CYS A 8 -10.231 6.272 1.709 1.00 0.00 S ATOM 0 H CYS A 8 -13.187 5.539 -0.347 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.355 8.242 0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.546 6.128 -0.662 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.092 7.748 -0.173 1.00 0.00 H new ATOM 68 N TYR A 9 -11.864 8.782 -2.037 1.00 0.00 N ATOM 69 CA TYR A 9 -11.980 9.179 -3.437 1.00 0.00 C ATOM 70 C TYR A 9 -10.768 10.026 -3.820 1.00 0.00 C ATOM 71 O TYR A 9 -9.991 10.429 -2.956 1.00 0.00 O ATOM 72 CB TYR A 9 -13.281 9.959 -3.677 1.00 0.00 C ATOM 73 CG TYR A 9 -13.291 11.373 -3.138 1.00 0.00 C ATOM 74 CD1 TYR A 9 -13.718 11.640 -1.837 1.00 0.00 C ATOM 75 CD2 TYR A 9 -12.885 12.448 -3.929 1.00 0.00 C ATOM 76 CE1 TYR A 9 -13.739 12.939 -1.338 1.00 0.00 C ATOM 77 CE2 TYR A 9 -12.906 13.754 -3.438 1.00 0.00 C ATOM 78 CZ TYR A 9 -13.335 13.992 -2.141 1.00 0.00 C ATOM 79 OH TYR A 9 -13.366 15.276 -1.644 1.00 0.00 O ATOM 0 H TYR A 9 -11.319 9.425 -1.463 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.009 8.286 -4.061 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -13.473 9.994 -4.749 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.105 9.408 -3.224 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -14.038 10.824 -1.206 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -12.549 12.266 -4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -14.070 13.125 -0.327 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -12.590 14.575 -4.065 1.00 0.00 H new ATOM 0 HH TYR A 9 -13.051 15.900 -2.331 1.00 0.00 H new ATOM 81 N ASN A 10 -10.607 10.284 -5.116 1.00 0.00 N ATOM 82 CA ASN A 10 -9.479 11.070 -5.609 1.00 0.00 C ATOM 83 C ASN A 10 -8.155 10.415 -5.244 1.00 0.00 C ATOM 84 O ASN A 10 -7.181 11.094 -4.908 1.00 0.00 O ATOM 85 CB ASN A 10 -9.519 12.501 -5.056 1.00 0.00 C ATOM 86 CG ASN A 10 -10.318 13.441 -5.933 1.00 0.00 C ATOM 87 OD1 ASN A 10 -10.731 13.078 -7.035 1.00 0.00 O ATOM 88 ND2 ASN A 10 -10.531 14.663 -5.455 1.00 0.00 N ATOM 0 H ASN A 10 -11.244 9.960 -5.844 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.562 11.112 -6.695 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.951 12.488 -4.055 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.501 12.878 -4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.055 15.342 -6.007 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.170 14.921 -4.536 1.00 0.00 H new ATOM 90 N SER A 11 -8.123 9.090 -5.314 1.00 0.00 N ATOM 91 CA SER A 11 -6.909 8.347 -5.006 1.00 0.00 C ATOM 92 C SER A 11 -5.938 8.450 -6.165 1.00 0.00 C ATOM 93 O SER A 11 -6.338 8.550 -7.324 1.00 0.00 O ATOM 94 CB SER A 11 -7.233 6.875 -4.754 1.00 0.00 C ATOM 95 OG SER A 11 -8.077 6.736 -3.629 1.00 0.00 O ATOM 0 H SER A 11 -8.920 8.511 -5.580 1.00 0.00 H new ATOM 0 HA SER A 11 -6.461 8.773 -4.108 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.716 6.448 -5.633 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.311 6.316 -4.594 1.00 0.00 H new ATOM 0 HG SER A 11 -8.403 5.813 -3.577 1.00 0.00 H new ATOM 97 N ALA A 12 -4.651 8.412 -5.847 1.00 0.00 N ATOM 98 CA ALA A 12 -3.628 8.498 -6.869 1.00 0.00 C ATOM 99 C ALA A 12 -2.329 7.889 -6.388 1.00 0.00 C ATOM 100 O ALA A 12 -2.049 7.846 -5.190 1.00 0.00 O ATOM 101 CB ALA A 12 -3.400 9.951 -7.260 1.00 0.00 C ATOM 0 H ALA A 12 -4.297 8.323 -4.895 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.971 7.938 -7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.629 10.004 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.327 10.374 -7.646 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.080 10.517 -6.385 1.00 0.00 H new ATOM 103 N ILE A 13 -1.534 7.405 -7.333 1.00 0.00 N ATOM 104 CA ILE A 13 -0.247 6.814 -7.011 1.00 0.00 C ATOM 105 C ILE A 13 0.833 7.560 -7.776 1.00 0.00 C ATOM 106 O ILE A 13 0.722 7.773 -8.983 1.00 0.00 O ATOM 107 CB ILE A 13 -0.201 5.318 -7.387 1.00 0.00 C ATOM 108 CG1 ILE A 13 -1.200 4.539 -6.527 1.00 0.00 C ATOM 109 CG2 ILE A 13 1.209 4.772 -7.192 1.00 0.00 C ATOM 110 CD1 ILE A 13 -1.287 3.066 -6.860 1.00 0.00 C ATOM 0 H ILE A 13 -1.760 7.411 -8.328 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.086 6.893 -5.936 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.474 5.203 -8.436 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.922 4.647 -5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.188 4.985 -6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.230 3.716 -7.460 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.903 5.322 -7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.503 4.888 -6.149 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.016 2.588 -6.206 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.596 2.945 -7.898 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.311 2.602 -6.716 1.00 0.00 H new ATOM 112 N GLN A 14 1.868 7.967 -7.055 1.00 0.00 N ATOM 113 CA GLN A 14 2.985 8.691 -7.636 1.00 0.00 C ATOM 114 C GLN A 14 4.196 7.992 -7.055 1.00 0.00 C ATOM 115 O GLN A 14 4.429 8.038 -5.845 1.00 0.00 O ATOM 116 CB GLN A 14 2.961 10.162 -7.216 1.00 0.00 C ATOM 117 CG GLN A 14 4.021 11.001 -7.913 1.00 0.00 C ATOM 118 CD GLN A 14 3.842 11.040 -9.421 1.00 0.00 C ATOM 119 OE1 GLN A 14 2.655 10.667 -9.891 1.00 0.00 O flip ATOM 120 NE2 GLN A 14 4.759 11.408 -10.153 1.00 0.00 N flip ATOM 0 H GLN A 14 1.955 7.804 -6.052 1.00 0.00 H new ATOM 0 HA GLN A 14 2.970 8.690 -8.726 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.977 10.579 -7.432 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.106 10.228 -6.138 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.989 12.018 -7.521 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.007 10.600 -7.679 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.654 11.686 -9.749 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.625 11.436 -11.164 1.00 0.00 H new ATOM 122 N GLY A 15 4.961 7.324 -7.911 1.00 0.00 N ATOM 123 CA GLY A 15 6.115 6.595 -7.425 1.00 0.00 C ATOM 124 C GLY A 15 5.616 5.472 -6.538 1.00 0.00 C ATOM 125 O GLY A 15 4.863 4.606 -6.986 1.00 0.00 O ATOM 0 H GLY A 15 4.806 7.274 -8.918 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.693 6.195 -8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.777 7.257 -6.867 1.00 0.00 H new ATOM 127 N SER A 16 6.011 5.491 -5.270 1.00 0.00 N ATOM 128 CA SER A 16 5.583 4.459 -4.333 1.00 0.00 C ATOM 129 C SER A 16 4.546 4.994 -3.353 1.00 0.00 C ATOM 130 O SER A 16 4.102 4.269 -2.464 1.00 0.00 O ATOM 131 CB SER A 16 6.782 3.938 -3.544 1.00 0.00 C ATOM 132 OG SER A 16 7.338 4.970 -2.749 1.00 0.00 O ATOM 0 H SER A 16 6.622 6.203 -4.870 1.00 0.00 H new ATOM 0 HA SER A 16 5.136 3.653 -4.914 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.474 3.107 -2.909 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.536 3.552 -4.230 1.00 0.00 H new ATOM 0 HG SER A 16 7.184 4.772 -1.802 1.00 0.00 H new ATOM 134 N VAL A 17 4.149 6.252 -3.524 1.00 0.00 N ATOM 135 CA VAL A 17 3.197 6.871 -2.609 1.00 0.00 C ATOM 136 C VAL A 17 1.745 6.928 -3.071 1.00 0.00 C ATOM 137 O VAL A 17 1.441 7.407 -4.163 1.00 0.00 O ATOM 138 CB VAL A 17 3.637 8.310 -2.254 1.00 0.00 C ATOM 139 CG1 VAL A 17 2.702 8.904 -1.209 1.00 0.00 C ATOM 140 CG2 VAL A 17 5.067 8.303 -1.745 1.00 0.00 C ATOM 0 H VAL A 17 4.468 6.857 -4.280 1.00 0.00 H new ATOM 0 HA VAL A 17 3.215 6.203 -1.748 1.00 0.00 H new ATOM 0 HB VAL A 17 3.588 8.928 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.023 9.917 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.686 8.929 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.727 8.291 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.370 9.320 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.133 7.677 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.726 7.906 -2.517 1.00 0.00 H new ATOM 142 N LEU A 18 0.857 6.438 -2.213 1.00 0.00 N ATOM 143 CA LEU A 18 -0.578 6.453 -2.464 1.00 0.00 C ATOM 144 C LEU A 18 -1.149 7.618 -1.673 1.00 0.00 C ATOM 145 O LEU A 18 -0.858 7.768 -0.487 1.00 0.00 O ATOM 146 CB LEU A 18 -1.233 5.160 -1.969 1.00 0.00 C ATOM 147 CG LEU A 18 -2.765 5.170 -1.867 1.00 0.00 C ATOM 148 CD1 LEU A 18 -3.382 5.155 -3.264 1.00 0.00 C ATOM 149 CD2 LEU A 18 -3.234 3.962 -1.065 1.00 0.00 C ATOM 0 H LEU A 18 1.114 6.018 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.769 6.545 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.940 4.350 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.826 4.925 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.086 6.078 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.469 5.162 -3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.054 6.036 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.064 4.256 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.322 3.972 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.911 3.047 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.805 4.001 -0.064 1.00 0.00 H new ATOM 151 N THR A 19 -1.954 8.444 -2.333 1.00 0.00 N ATOM 152 CA THR A 19 -2.596 9.581 -1.688 1.00 0.00 C ATOM 153 C THR A 19 -4.086 9.444 -1.954 1.00 0.00 C ATOM 154 O THR A 19 -4.491 9.037 -3.043 1.00 0.00 O ATOM 155 CB THR A 19 -2.099 10.920 -2.276 1.00 0.00 C ATOM 156 OG1 THR A 19 -0.688 11.048 -2.053 1.00 0.00 O ATOM 157 CG2 THR A 19 -2.821 12.091 -1.621 1.00 0.00 C ATOM 0 H THR A 19 -2.178 8.345 -3.323 1.00 0.00 H new ATOM 0 HA THR A 19 -2.364 9.585 -0.623 1.00 0.00 H new ATOM 0 HB THR A 19 -2.307 10.930 -3.346 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.522 11.233 -1.105 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.458 13.026 -2.047 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.893 12.003 -1.798 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.629 12.083 -0.548 1.00 0.00 H new ATOM 159 N SER A 20 -4.906 9.754 -0.960 1.00 0.00 N ATOM 160 CA SER A 20 -6.350 9.658 -1.138 1.00 0.00 C ATOM 161 C SER A 20 -7.085 10.549 -0.146 1.00 0.00 C ATOM 162 O SER A 20 -6.540 10.909 0.901 1.00 0.00 O ATOM 163 CB SER A 20 -6.814 8.209 -0.971 1.00 0.00 C ATOM 164 OG SER A 20 -8.177 8.066 -1.339 1.00 0.00 O ATOM 0 H SER A 20 -4.605 10.069 -0.038 1.00 0.00 H new ATOM 0 HA SER A 20 -6.584 9.996 -2.148 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.197 7.553 -1.585 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.679 7.897 0.065 1.00 0.00 H new ATOM 0 HG SER A 20 -8.237 7.580 -2.188 1.00 0.00 H new ATOM 166 N THR A 21 -8.317 10.910 -0.487 1.00 0.00 N ATOM 167 CA THR A 21 -9.148 11.746 0.373 1.00 0.00 C ATOM 168 C THR A 21 -10.201 10.808 0.949 1.00 0.00 C ATOM 169 O THR A 21 -11.023 10.254 0.220 1.00 0.00 O ATOM 170 CB THR A 21 -9.790 12.884 -0.433 1.00 0.00 C ATOM 171 OG1 THR A 21 -8.747 13.709 -0.973 1.00 0.00 O ATOM 172 CG2 THR A 21 -10.684 13.739 0.453 1.00 0.00 C ATOM 0 H THR A 21 -8.766 10.634 -1.360 1.00 0.00 H new ATOM 0 HA THR A 21 -8.569 12.226 1.162 1.00 0.00 H new ATOM 0 HB THR A 21 -10.397 12.453 -1.229 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.313 14.204 -0.247 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.127 14.538 -0.141 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.475 13.120 0.877 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.091 14.172 1.259 1.00 0.00 H new ATOM 174 N CYS A 22 -10.167 10.640 2.266 1.00 0.00 N ATOM 175 CA CYS A 22 -11.052 9.696 2.928 1.00 0.00 C ATOM 176 C CYS A 22 -12.034 10.252 3.949 1.00 0.00 C ATOM 177 O CYS A 22 -11.770 11.252 4.613 1.00 0.00 O ATOM 178 CB CYS A 22 -10.197 8.628 3.597 1.00 0.00 C ATOM 179 SG CYS A 22 -9.058 7.735 2.488 1.00 0.00 S ATOM 0 H CYS A 22 -9.538 11.144 2.892 1.00 0.00 H new ATOM 0 HA CYS A 22 -11.691 9.315 2.131 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -9.613 9.097 4.389 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -10.857 7.903 4.073 1.00 0.00 H new ATOM 181 N GLU A 23 -13.160 9.558 4.087 1.00 0.00 N ATOM 182 CA GLU A 23 -14.209 9.952 5.016 1.00 0.00 C ATOM 183 C GLU A 23 -13.830 9.696 6.464 1.00 0.00 C ATOM 184 O GLU A 23 -13.287 8.642 6.796 1.00 0.00 O ATOM 185 CB GLU A 23 -15.491 9.165 4.736 1.00 0.00 C ATOM 186 CG GLU A 23 -16.093 9.357 3.368 1.00 0.00 C ATOM 187 CD GLU A 23 -17.316 8.482 3.164 1.00 0.00 C ATOM 188 OE1 GLU A 23 -17.640 7.687 4.074 1.00 0.00 O ATOM 189 OE2 GLU A 23 -17.952 8.590 2.096 1.00 0.00 O ATOM 0 H GLU A 23 -13.368 8.710 3.559 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.358 11.022 4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -15.281 8.104 4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -16.236 9.443 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -16.368 10.403 3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.348 9.124 2.607 1.00 0.00 H new ATOM 191 N ARG A 24 -14.126 10.663 7.324 1.00 0.00 N ATOM 192 CA ARG A 24 -13.867 10.509 8.748 1.00 0.00 C ATOM 193 C ARG A 24 -15.156 9.970 9.369 1.00 0.00 C ATOM 194 O ARG A 24 -16.225 10.056 8.765 1.00 0.00 O ATOM 195 CB ARG A 24 -13.510 11.850 9.390 1.00 0.00 C ATOM 196 CG ARG A 24 -12.240 12.484 8.854 1.00 0.00 C ATOM 197 CD ARG A 24 -11.667 13.459 9.866 1.00 0.00 C ATOM 198 NE ARG A 24 -11.285 12.773 11.098 1.00 0.00 N ATOM 199 CZ ARG A 24 -10.849 13.386 12.194 1.00 0.00 C ATOM 200 NH1 ARG A 24 -10.740 14.706 12.220 1.00 0.00 N ATOM 201 NH2 ARG A 24 -10.525 12.676 13.267 1.00 0.00 N ATOM 0 H ARG A 24 -14.543 11.556 7.062 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.026 9.836 8.911 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.338 12.542 9.240 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.404 11.707 10.465 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.506 11.710 8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.452 13.003 7.919 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.798 13.961 9.441 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.403 14.231 10.089 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.358 11.756 11.119 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.991 15.255 11.398 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.405 15.174 13.062 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.610 11.660 13.251 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.190 13.146 14.108 1.00 0.00 H new ATOM 203 N THR A 25 -15.055 9.416 10.571 1.00 0.00 N ATOM 204 CA THR A 25 -16.222 8.873 11.255 1.00 0.00 C ATOM 205 C THR A 25 -17.290 9.941 11.491 1.00 0.00 C ATOM 206 O THR A 25 -18.453 9.761 11.129 1.00 0.00 O ATOM 207 CB THR A 25 -15.834 8.270 12.617 1.00 0.00 C ATOM 208 OG1 THR A 25 -14.862 7.237 12.422 1.00 0.00 O ATOM 209 CG2 THR A 25 -17.054 7.686 13.311 1.00 0.00 C ATOM 0 H THR A 25 -14.181 9.331 11.090 1.00 0.00 H new ATOM 0 HA THR A 25 -16.626 8.097 10.604 1.00 0.00 H new ATOM 0 HB THR A 25 -15.418 9.060 13.242 1.00 0.00 H new ATOM 0 HG1 THR A 25 -14.613 6.854 13.289 1.00 0.00 H new ATOM 0 HG21 THR A 25 -16.759 7.265 14.272 1.00 0.00 H new ATOM 0 HG22 THR A 25 -17.793 8.472 13.471 1.00 0.00 H new ATOM 0 HG23 THR A 25 -17.486 6.902 12.689 1.00 0.00 H new ATOM 211 N ASN A 26 -16.881 11.053 12.095 1.00 0.00 N ATOM 212 CA ASN A 26 -17.786 12.157 12.411 1.00 0.00 C ATOM 213 C ASN A 26 -18.202 12.946 11.176 1.00 0.00 C ATOM 214 O ASN A 26 -18.809 14.013 11.284 1.00 0.00 O ATOM 215 CB ASN A 26 -17.112 13.096 13.418 1.00 0.00 C ATOM 216 CG ASN A 26 -17.968 14.299 13.761 1.00 0.00 C ATOM 217 OD1 ASN A 26 -19.083 14.160 14.263 1.00 0.00 O ATOM 218 ND2 ASN A 26 -17.447 15.492 13.491 1.00 0.00 N ATOM 0 H ASN A 26 -15.915 11.215 12.379 1.00 0.00 H new ATOM 0 HA ASN A 26 -18.691 11.724 12.837 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -16.888 12.543 14.330 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -16.161 13.437 13.010 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -17.976 16.339 13.700 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -16.518 15.561 13.074 1.00 0.00 H new ATOM 220 N GLY A 27 -17.893 12.410 10.002 1.00 0.00 N ATOM 221 CA GLY A 27 -18.233 13.102 8.777 1.00 0.00 C ATOM 222 C GLY A 27 -17.060 13.967 8.372 1.00 0.00 C ATOM 223 O GLY A 27 -16.130 14.165 9.154 1.00 0.00 O ATOM 0 H GLY A 27 -17.417 11.516 9.878 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -18.465 12.385 7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.123 13.715 8.923 1.00 0.00 H new ATOM 225 N GLY A 28 -17.099 14.498 7.158 1.00 0.00 N ATOM 226 CA GLY A 28 -15.996 15.321 6.705 1.00 0.00 C ATOM 227 C GLY A 28 -14.927 14.432 6.109 1.00 0.00 C ATOM 228 O GLY A 28 -15.045 13.204 6.141 1.00 0.00 O ATOM 0 H GLY A 28 -17.860 14.377 6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.343 16.040 5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.588 15.894 7.538 1.00 0.00 H new ATOM 230 N TYR A 29 -13.877 15.042 5.570 1.00 0.00 N ATOM 231 CA TYR A 29 -12.807 14.278 4.947 1.00 0.00 C ATOM 232 C TYR A 29 -11.416 14.717 5.356 1.00 0.00 C ATOM 233 O TYR A 29 -11.223 15.781 5.944 1.00 0.00 O ATOM 234 CB TYR A 29 -12.905 14.379 3.424 1.00 0.00 C ATOM 235 CG TYR A 29 -14.255 14.019 2.870 1.00 0.00 C ATOM 236 CD1 TYR A 29 -15.315 14.923 2.928 1.00 0.00 C ATOM 237 CD2 TYR A 29 -14.485 12.767 2.307 1.00 0.00 C ATOM 238 CE1 TYR A 29 -16.570 14.588 2.437 1.00 0.00 C ATOM 239 CE2 TYR A 29 -15.740 12.422 1.814 1.00 0.00 C ATOM 240 CZ TYR A 29 -16.774 13.338 1.883 1.00 0.00 C ATOM 241 OH TYR A 29 -18.016 13.007 1.397 1.00 0.00 O ATOM 0 H TYR A 29 -13.746 16.053 5.552 1.00 0.00 H new ATOM 0 HA TYR A 29 -12.945 13.254 5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -12.660 15.397 3.122 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.155 13.725 2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -15.157 15.899 3.362 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -13.677 12.052 2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -17.381 15.299 2.488 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -15.905 11.447 1.381 1.00 0.00 H new ATOM 0 HH TYR A 29 -17.995 12.095 1.040 1.00 0.00 H new ATOM 243 N ASN A 30 -10.450 13.872 5.030 1.00 0.00 N ATOM 244 CA ASN A 30 -9.051 14.146 5.294 1.00 0.00 C ATOM 245 C ASN A 30 -8.244 13.524 4.173 1.00 0.00 C ATOM 246 O ASN A 30 -8.535 12.415 3.726 1.00 0.00 O ATOM 247 CB ASN A 30 -8.592 13.546 6.620 1.00 0.00 C ATOM 248 CG ASN A 30 -7.113 13.775 6.864 1.00 0.00 C ATOM 249 OD1 ASN A 30 -6.664 14.915 6.967 1.00 0.00 O ATOM 250 ND2 ASN A 30 -6.349 12.694 6.944 1.00 0.00 N ATOM 0 H ASN A 30 -10.618 12.975 4.574 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.908 15.225 5.352 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.167 13.986 7.435 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.799 12.476 6.625 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.345 12.789 7.097 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.765 11.767 6.853 1.00 0.00 H new ATOM 252 N THR A 31 -7.234 14.245 3.708 1.00 0.00 N ATOM 253 CA THR A 31 -6.378 13.739 2.652 1.00 0.00 C ATOM 254 C THR A 31 -5.090 13.288 3.318 1.00 0.00 C ATOM 255 O THR A 31 -4.542 13.987 4.169 1.00 0.00 O ATOM 256 CB THR A 31 -6.085 14.831 1.607 1.00 0.00 C ATOM 257 OG1 THR A 31 -7.320 15.268 1.024 1.00 0.00 O ATOM 258 CG2 THR A 31 -5.179 14.290 0.508 1.00 0.00 C ATOM 0 H THR A 31 -6.990 15.176 4.045 1.00 0.00 H new ATOM 0 HA THR A 31 -6.862 12.917 2.125 1.00 0.00 H new ATOM 0 HB THR A 31 -5.584 15.664 2.100 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.139 15.965 0.359 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.983 15.076 -0.221 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.237 13.956 0.944 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.668 13.450 0.014 1.00 0.00 H new ATOM 260 N SER A 32 -4.618 12.103 2.954 1.00 0.00 N ATOM 261 CA SER A 32 -3.397 11.574 3.539 1.00 0.00 C ATOM 262 C SER A 32 -2.641 10.746 2.520 1.00 0.00 C ATOM 263 O SER A 32 -3.167 10.405 1.460 1.00 0.00 O ATOM 264 CB SER A 32 -3.718 10.716 4.769 1.00 0.00 C ATOM 265 OG SER A 32 -4.423 9.536 4.417 1.00 0.00 O ATOM 0 H SER A 32 -5.058 11.496 2.263 1.00 0.00 H new ATOM 0 HA SER A 32 -2.774 12.414 3.848 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.792 10.448 5.278 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.312 11.298 5.474 1.00 0.00 H new ATOM 0 HG SER A 32 -3.802 8.891 4.019 1.00 0.00 H new ATOM 267 N SER A 33 -1.400 10.420 2.855 1.00 0.00 N ATOM 268 CA SER A 33 -0.553 9.634 1.977 1.00 0.00 C ATOM 269 C SER A 33 0.109 8.503 2.741 1.00 0.00 C ATOM 270 O SER A 33 0.216 8.537 3.969 1.00 0.00 O ATOM 271 CB SER A 33 0.531 10.520 1.358 1.00 0.00 C ATOM 272 OG SER A 33 -0.028 11.574 0.595 1.00 0.00 O ATOM 0 H SER A 33 -0.958 10.691 3.734 1.00 0.00 H new ATOM 0 HA SER A 33 -1.180 9.215 1.190 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.157 10.935 2.148 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.178 9.914 0.723 1.00 0.00 H new ATOM 0 HG SER A 33 0.692 12.121 0.216 1.00 0.00 H new ATOM 274 N ILE A 34 0.551 7.499 2.001 1.00 0.00 N ATOM 275 CA ILE A 34 1.239 6.368 2.593 1.00 0.00 C ATOM 276 C ILE A 34 2.266 5.858 1.591 1.00 0.00 C ATOM 277 O ILE A 34 1.955 5.657 0.414 1.00 0.00 O ATOM 278 CB ILE A 34 0.246 5.242 2.996 1.00 0.00 C ATOM 279 CG1 ILE A 34 0.988 4.164 3.785 1.00 0.00 C ATOM 280 CG2 ILE A 34 -0.424 4.640 1.762 1.00 0.00 C ATOM 281 CD1 ILE A 34 0.081 3.110 4.391 1.00 0.00 C ATOM 0 H ILE A 34 0.444 7.446 0.988 1.00 0.00 H new ATOM 0 HA ILE A 34 1.737 6.685 3.509 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.536 5.670 3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.706 3.676 3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.559 4.640 4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.114 3.854 2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.973 5.417 1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.336 4.218 1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.682 2.381 4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.621 3.585 5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.471 2.606 3.598 1.00 0.00 H new ATOM 283 N ASP A 35 3.501 5.693 2.056 1.00 0.00 N ATOM 284 CA ASP A 35 4.585 5.207 1.213 1.00 0.00 C ATOM 285 C ASP A 35 4.568 3.684 1.247 1.00 0.00 C ATOM 286 O ASP A 35 4.846 3.070 2.279 1.00 0.00 O ATOM 287 CB ASP A 35 5.926 5.727 1.727 1.00 0.00 C ATOM 288 CG ASP A 35 7.040 5.534 0.724 1.00 0.00 C ATOM 289 OD1 ASP A 35 6.984 4.548 -0.038 1.00 0.00 O ATOM 290 OD2 ASP A 35 7.977 6.359 0.705 1.00 0.00 O ATOM 0 H ASP A 35 3.775 5.891 3.018 1.00 0.00 H new ATOM 0 HA ASP A 35 4.451 5.562 0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.835 6.787 1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.181 5.213 2.653 1.00 0.00 H new ATOM 292 N LEU A 36 4.250 3.081 0.108 1.00 0.00 N ATOM 293 CA LEU A 36 4.156 1.631 -0.003 1.00 0.00 C ATOM 294 C LEU A 36 5.484 0.897 -0.130 1.00 0.00 C ATOM 295 O LEU A 36 5.510 -0.331 -0.114 1.00 0.00 O ATOM 296 CB LEU A 36 3.268 1.273 -1.194 1.00 0.00 C ATOM 297 CG LEU A 36 1.855 1.860 -1.165 1.00 0.00 C ATOM 298 CD1 LEU A 36 1.218 1.694 -2.531 1.00 0.00 C ATOM 299 CD2 LEU A 36 1.028 1.176 -0.081 1.00 0.00 C ATOM 0 H LEU A 36 4.051 3.580 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 36 3.729 1.296 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.762 1.607 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.190 0.187 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 36 1.899 2.923 -0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.211 2.111 -2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.816 2.217 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.169 0.635 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.024 1.600 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.968 0.108 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.500 1.331 0.889 1.00 0.00 H new ATOM 301 N ASN A 37 6.504 1.610 -0.614 1.00 0.00 N ATOM 302 CA ASN A 37 7.850 1.036 -0.849 1.00 0.00 C ATOM 303 C ASN A 37 8.240 0.032 0.239 1.00 0.00 C ATOM 304 O ASN A 37 8.744 -1.054 -0.025 1.00 0.00 O ATOM 305 CB ASN A 37 8.886 2.150 -0.803 1.00 0.00 C ATOM 306 CG ASN A 37 9.548 2.408 -2.146 1.00 0.00 C ATOM 307 OD1 ASN A 37 9.582 1.600 -3.068 1.00 0.00 O ATOM 308 ND2 ASN A 37 10.111 3.586 -2.226 1.00 0.00 N ATOM 0 H ASN A 37 6.431 2.598 -0.856 1.00 0.00 H new ATOM 0 HA ASN A 37 7.821 0.537 -1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.409 3.067 -0.458 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.652 1.895 -0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.600 3.861 -3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.060 4.230 -1.437 1.00 0.00 H new ATOM 310 N SER A 38 7.894 0.459 1.447 1.00 0.00 N ATOM 311 CA SER A 38 8.040 -0.283 2.698 1.00 0.00 C ATOM 312 C SER A 38 7.053 -1.407 2.980 1.00 0.00 C ATOM 313 O SER A 38 7.233 -2.052 4.004 1.00 0.00 O ATOM 314 CB SER A 38 8.156 0.744 3.830 1.00 0.00 C ATOM 315 OG SER A 38 7.228 1.824 3.707 1.00 0.00 O ATOM 0 H SER A 38 7.482 1.381 1.590 1.00 0.00 H new ATOM 0 HA SER A 38 8.949 -0.877 2.606 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.996 0.243 4.785 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.170 1.144 3.846 1.00 0.00 H new ATOM 0 HG SER A 38 6.426 1.627 4.234 1.00 0.00 H new ATOM 317 N VAL A 39 6.011 -1.556 2.152 1.00 0.00 N ATOM 318 CA VAL A 39 4.990 -2.619 2.208 1.00 0.00 C ATOM 319 C VAL A 39 5.221 -3.747 1.202 1.00 0.00 C ATOM 320 O VAL A 39 4.789 -4.880 1.416 1.00 0.00 O ATOM 321 CB VAL A 39 3.528 -2.265 1.870 1.00 0.00 C ATOM 322 CG1 VAL A 39 2.643 -3.147 2.726 1.00 0.00 C ATOM 323 CG2 VAL A 39 3.090 -0.813 1.902 1.00 0.00 C ATOM 0 H VAL A 39 5.846 -0.906 1.383 1.00 0.00 H new ATOM 0 HA VAL A 39 5.111 -2.864 3.263 1.00 0.00 H new ATOM 0 HB VAL A 39 3.428 -2.458 0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.597 -2.926 2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.845 -4.194 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.849 -2.957 3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.034 -0.746 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.241 -0.409 2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.679 -0.239 1.187 1.00 0.00 H new ATOM 325 N ILE A 40 5.334 -3.248 -0.008 1.00 0.00 N ATOM 326 CA ILE A 40 5.197 -4.079 -1.200 1.00 0.00 C ATOM 327 C ILE A 40 6.617 -4.282 -1.682 1.00 0.00 C ATOM 328 O ILE A 40 7.493 -3.427 -1.556 1.00 0.00 O ATOM 329 CB ILE A 40 4.258 -3.390 -2.203 1.00 0.00 C ATOM 330 CG1 ILE A 40 2.847 -3.355 -1.599 1.00 0.00 C ATOM 331 CG2 ILE A 40 4.218 -4.129 -3.547 1.00 0.00 C ATOM 332 CD1 ILE A 40 1.964 -2.257 -2.189 1.00 0.00 C ATOM 0 H ILE A 40 5.522 -2.264 -0.201 1.00 0.00 H new ATOM 0 HA ILE A 40 4.734 -5.051 -1.030 1.00 0.00 H new ATOM 0 HB ILE A 40 4.629 -2.383 -2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.368 -4.321 -1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.924 -3.210 -0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.543 -3.610 -4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.219 -4.155 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.864 -5.148 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.981 -2.288 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.422 -1.285 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.857 -2.413 -3.262 1.00 0.00 H new ATOM 334 N GLU A 41 6.836 -5.539 -1.980 1.00 0.00 N ATOM 335 CA GLU A 41 8.125 -5.880 -2.554 1.00 0.00 C ATOM 336 C GLU A 41 8.003 -6.629 -3.868 1.00 0.00 C ATOM 337 O GLU A 41 6.977 -7.248 -4.159 1.00 0.00 O ATOM 338 CB GLU A 41 8.944 -6.710 -1.561 1.00 0.00 C ATOM 339 CG GLU A 41 8.274 -7.990 -1.114 1.00 0.00 C ATOM 340 CD GLU A 41 9.129 -8.783 -0.144 1.00 0.00 C ATOM 341 OE1 GLU A 41 9.494 -8.237 0.918 1.00 0.00 O ATOM 342 OE2 GLU A 41 9.439 -9.953 -0.447 1.00 0.00 O ATOM 0 H GLU A 41 6.182 -6.310 -1.847 1.00 0.00 H new ATOM 0 HA GLU A 41 8.634 -4.939 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.903 -6.956 -2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.155 -6.099 -0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.320 -7.752 -0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.054 -8.605 -1.986 1.00 0.00 H new ATOM 344 N ASN A 42 9.059 -6.542 -4.668 1.00 0.00 N ATOM 345 CA ASN A 42 9.110 -7.217 -5.950 1.00 0.00 C ATOM 346 C ASN A 42 9.792 -8.570 -5.792 1.00 0.00 C ATOM 347 O ASN A 42 10.992 -8.647 -5.529 1.00 0.00 O ATOM 348 CB ASN A 42 9.870 -6.355 -6.963 1.00 0.00 C ATOM 349 CG ASN A 42 10.176 -7.094 -8.247 1.00 0.00 C ATOM 350 OD1 ASN A 42 9.560 -8.116 -8.561 1.00 0.00 O ATOM 351 ND2 ASN A 42 11.128 -6.571 -9.007 1.00 0.00 N ATOM 0 H ASN A 42 9.896 -6.004 -4.444 1.00 0.00 H new ATOM 0 HA ASN A 42 8.095 -7.374 -6.315 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.281 -5.467 -7.192 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.803 -6.013 -6.515 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.377 -7.015 -9.891 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.612 -5.724 -8.708 1.00 0.00 H new ATOM 353 N VAL A 43 9.011 -9.634 -5.943 1.00 0.00 N ATOM 354 CA VAL A 43 9.535 -10.988 -5.840 1.00 0.00 C ATOM 355 C VAL A 43 9.493 -11.622 -7.229 1.00 0.00 C ATOM 356 O VAL A 43 8.436 -12.035 -7.702 1.00 0.00 O ATOM 357 CB VAL A 43 8.697 -11.843 -4.863 1.00 0.00 C ATOM 358 CG1 VAL A 43 9.265 -13.253 -4.793 1.00 0.00 C ATOM 359 CG2 VAL A 43 8.693 -11.205 -3.481 1.00 0.00 C ATOM 0 H VAL A 43 8.011 -9.583 -6.137 1.00 0.00 H new ATOM 0 HA VAL A 43 10.555 -10.946 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 43 7.670 -11.895 -5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.670 -13.851 -4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.236 -13.706 -5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.296 -13.213 -4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.100 -11.815 -2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.715 -11.136 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.261 -10.206 -3.543 1.00 0.00 H new ATOM 361 N ASP A 44 10.646 -11.667 -7.887 1.00 0.00 N ATOM 362 CA ASP A 44 10.759 -12.250 -9.220 1.00 0.00 C ATOM 363 C ASP A 44 9.741 -11.691 -10.214 1.00 0.00 C ATOM 364 O ASP A 44 9.118 -12.438 -10.968 1.00 0.00 O ATOM 365 CB ASP A 44 10.634 -13.776 -9.130 1.00 0.00 C ATOM 366 CG ASP A 44 11.041 -14.475 -10.417 1.00 0.00 C ATOM 367 OD1 ASP A 44 11.899 -13.932 -11.144 1.00 0.00 O ATOM 368 OD2 ASP A 44 10.514 -15.577 -10.689 1.00 0.00 O ATOM 0 H ASP A 44 11.523 -11.303 -7.515 1.00 0.00 H new ATOM 0 HA ASP A 44 11.742 -11.976 -9.604 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.255 -14.140 -8.312 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.604 -14.038 -8.889 1.00 0.00 H new ATOM 370 N GLY A 45 9.569 -10.371 -10.201 1.00 0.00 N ATOM 371 CA GLY A 45 8.661 -9.729 -11.134 1.00 0.00 C ATOM 372 C GLY A 45 7.220 -9.560 -10.700 1.00 0.00 C ATOM 373 O GLY A 45 6.418 -8.980 -11.434 1.00 0.00 O ATOM 0 H GLY A 45 10.043 -9.735 -9.560 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.060 -8.742 -11.367 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.669 -10.303 -12.060 1.00 0.00 H new ATOM 375 N SER A 46 6.888 -10.058 -9.514 1.00 0.00 N ATOM 376 CA SER A 46 5.530 -9.965 -8.996 1.00 0.00 C ATOM 377 C SER A 46 5.488 -9.152 -7.708 1.00 0.00 C ATOM 378 O SER A 46 6.275 -9.388 -6.791 1.00 0.00 O ATOM 379 CB SER A 46 4.983 -11.369 -8.731 1.00 0.00 C ATOM 380 OG SER A 46 3.678 -11.316 -8.177 1.00 0.00 O ATOM 0 H SER A 46 7.544 -10.531 -8.892 1.00 0.00 H new ATOM 0 HA SER A 46 4.915 -9.461 -9.741 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.963 -11.936 -9.662 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.649 -11.899 -8.050 1.00 0.00 H new ATOM 0 HG SER A 46 3.175 -12.112 -8.448 1.00 0.00 H new ATOM 382 N LEU A 47 4.577 -8.187 -7.645 1.00 0.00 N ATOM 383 CA LEU A 47 4.442 -7.372 -6.443 1.00 0.00 C ATOM 384 C LEU A 47 3.747 -8.201 -5.372 1.00 0.00 C ATOM 385 O LEU A 47 2.672 -8.760 -5.604 1.00 0.00 O ATOM 386 CB LEU A 47 3.631 -6.105 -6.733 1.00 0.00 C ATOM 387 CG LEU A 47 4.297 -5.065 -7.640 1.00 0.00 C ATOM 388 CD1 LEU A 47 3.295 -3.974 -7.968 1.00 0.00 C ATOM 389 CD2 LEU A 47 5.533 -4.480 -6.967 1.00 0.00 C ATOM 0 H LEU A 47 3.931 -7.952 -8.398 1.00 0.00 H new ATOM 0 HA LEU A 47 5.430 -7.066 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.686 -6.401 -7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.392 -5.627 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 47 4.618 -5.545 -8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.764 -3.231 -8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.437 -4.410 -8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.963 -3.496 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.992 -3.744 -7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.245 -4.000 -6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.247 -5.277 -6.761 1.00 0.00 H new ATOM 391 N LYS A 48 4.370 -8.285 -4.202 1.00 0.00 N ATOM 392 CA LYS A 48 3.820 -9.054 -3.090 1.00 0.00 C ATOM 393 C LYS A 48 3.816 -8.210 -1.827 1.00 0.00 C ATOM 394 O LYS A 48 4.602 -7.273 -1.699 1.00 0.00 O ATOM 395 CB LYS A 48 4.680 -10.295 -2.824 1.00 0.00 C ATOM 396 CG LYS A 48 4.960 -11.165 -4.036 1.00 0.00 C ATOM 397 CD LYS A 48 3.712 -11.850 -4.538 1.00 0.00 C ATOM 398 CE LYS A 48 4.050 -12.848 -5.634 1.00 0.00 C ATOM 399 NZ LYS A 48 2.835 -13.502 -6.188 1.00 0.00 N ATOM 0 H LYS A 48 5.259 -7.829 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 48 2.805 -9.350 -3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.632 -9.973 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.185 -10.904 -2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.383 -10.553 -4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.708 -11.915 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.216 -12.362 -3.714 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.012 -11.107 -4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.585 -12.338 -6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.722 -13.609 -5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.111 -14.174 -6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.338 -14.010 -5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.205 -12.779 -6.591 1.00 0.00 H new ATOM 401 N TRP A 49 2.821 -8.508 -0.995 1.00 0.00 N ATOM 402 CA TRP A 49 2.728 -7.974 0.374 1.00 0.00 C ATOM 403 C TRP A 49 3.788 -8.581 1.298 1.00 0.00 C ATOM 404 O TRP A 49 4.254 -9.706 1.128 1.00 0.00 O ATOM 405 CB TRP A 49 1.357 -8.201 1.018 1.00 0.00 C ATOM 406 CG TRP A 49 0.234 -7.469 0.285 1.00 0.00 C ATOM 407 CD1 TRP A 49 -0.728 -8.061 -0.412 1.00 0.00 C ATOM 408 CD2 TRP A 49 -0.057 -6.113 0.324 1.00 0.00 C ATOM 409 NE1 TRP A 49 -1.594 -7.142 -0.832 1.00 0.00 N ATOM 410 CE2 TRP A 49 -1.222 -5.939 -0.400 1.00 0.00 C ATOM 411 CE3 TRP A 49 0.558 -5.022 0.914 1.00 0.00 C ATOM 412 CZ2 TRP A 49 -1.762 -4.667 -0.544 1.00 0.00 C ATOM 413 CZ3 TRP A 49 -0.001 -3.753 0.787 1.00 0.00 C ATOM 414 CH2 TRP A 49 -1.164 -3.573 0.058 1.00 0.00 C ATOM 0 H TRP A 49 2.051 -9.128 -1.246 1.00 0.00 H new ATOM 0 HA TRP A 49 2.893 -6.902 0.263 1.00 0.00 H new ATOM 0 HB2 TRP A 49 1.140 -9.269 1.034 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.387 -7.867 2.055 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.797 -9.121 -0.607 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -2.420 -7.331 -1.400 1.00 0.00 H new ATOM 0 HE3 TRP A 49 1.472 -5.155 1.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.658 -4.530 -1.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.475 -2.906 1.259 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -1.600 -2.590 -0.040 1.00 0.00 H new ATOM 417 N GLN A 50 4.343 -7.627 2.016 1.00 0.00 N ATOM 418 CA GLN A 50 5.321 -7.752 3.107 1.00 0.00 C ATOM 419 C GLN A 50 4.653 -7.002 4.298 1.00 0.00 C ATOM 420 O GLN A 50 3.431 -7.110 4.402 1.00 0.00 O ATOM 421 CB GLN A 50 6.465 -7.095 2.330 1.00 0.00 C ATOM 422 CG GLN A 50 7.779 -6.709 2.974 1.00 0.00 C ATOM 423 CD GLN A 50 8.060 -5.250 2.637 1.00 0.00 C ATOM 424 OE1 GLN A 50 8.431 -4.953 1.412 1.00 0.00 O flip ATOM 425 NE2 GLN A 50 8.120 -4.413 3.516 1.00 0.00 N flip ATOM 0 H GLN A 50 4.107 -6.650 1.845 1.00 0.00 H new ATOM 0 HA GLN A 50 5.647 -8.687 3.563 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.708 -7.768 1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.058 -6.186 1.888 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.729 -6.847 4.054 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.584 -7.346 2.608 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.831 -4.649 4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.460 -3.475 3.304 1.00 0.00 H new ATOM 427 N PRO A 51 5.340 -6.467 5.320 1.00 0.00 N ATOM 428 CA PRO A 51 4.761 -5.365 6.137 1.00 0.00 C ATOM 429 C PRO A 51 4.989 -4.010 5.453 1.00 0.00 C ATOM 430 O PRO A 51 5.710 -4.015 4.473 1.00 0.00 O ATOM 431 CB PRO A 51 5.476 -5.449 7.485 1.00 0.00 C ATOM 432 CG PRO A 51 6.808 -6.109 7.138 1.00 0.00 C ATOM 433 CD PRO A 51 6.429 -7.128 6.062 1.00 0.00 C ATOM 0 HA PRO A 51 3.682 -5.459 6.257 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.619 -4.463 7.926 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.910 -6.041 8.204 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.531 -5.383 6.767 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.256 -6.590 8.007 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.274 -7.357 5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.100 -8.070 6.501 1.00 0.00 H new ATOM 434 N SER A 52 4.237 -2.951 5.793 1.00 0.00 N ATOM 435 CA SER A 52 4.439 -1.589 5.216 1.00 0.00 C ATOM 436 C SER A 52 5.562 -0.684 5.706 1.00 0.00 C ATOM 437 O SER A 52 5.662 0.490 5.332 1.00 0.00 O ATOM 438 CB SER A 52 3.171 -0.743 5.158 1.00 0.00 C ATOM 439 OG SER A 52 3.028 0.404 6.001 1.00 0.00 O ATOM 0 H SER A 52 3.475 -3.001 6.469 1.00 0.00 H new ATOM 0 HA SER A 52 4.774 -1.934 4.238 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.057 -0.403 4.129 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.332 -1.405 5.370 1.00 0.00 H new ATOM 0 HG SER A 52 2.341 0.998 5.632 1.00 0.00 H new ATOM 441 N ASN A 53 6.325 -1.258 6.606 1.00 0.00 N ATOM 442 CA ASN A 53 7.398 -0.618 7.367 1.00 0.00 C ATOM 443 C ASN A 53 7.777 -1.638 8.445 1.00 0.00 C ATOM 444 O ASN A 53 7.160 -2.696 8.596 1.00 0.00 O ATOM 445 CB ASN A 53 6.880 0.693 7.996 1.00 0.00 C ATOM 446 CG ASN A 53 5.669 0.453 8.889 1.00 0.00 C ATOM 447 OD1 ASN A 53 5.803 -0.164 9.931 1.00 0.00 O ATOM 448 ND2 ASN A 53 4.481 0.697 8.387 1.00 0.00 N ATOM 0 H ASN A 53 6.215 -2.243 6.849 1.00 0.00 H new ATOM 0 HA ASN A 53 8.256 -0.353 6.750 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.676 1.155 8.580 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.615 1.395 7.206 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.646 0.368 8.871 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.393 1.216 7.513 1.00 0.00 H new ATOM 450 N PHE A 54 8.665 -1.181 9.302 1.00 0.00 N ATOM 451 CA PHE A 54 9.004 -1.924 10.507 1.00 0.00 C ATOM 452 C PHE A 54 8.897 -0.972 11.697 1.00 0.00 C ATOM 453 O PHE A 54 8.935 -1.394 12.852 1.00 0.00 O ATOM 454 CB PHE A 54 10.418 -2.527 10.407 1.00 0.00 C ATOM 455 CG PHE A 54 11.532 -1.512 10.378 1.00 0.00 C ATOM 456 CD1 PHE A 54 12.013 -0.949 11.557 1.00 0.00 C ATOM 457 CD2 PHE A 54 12.121 -1.141 9.174 1.00 0.00 C ATOM 458 CE1 PHE A 54 13.064 -0.031 11.536 1.00 0.00 C ATOM 459 CE2 PHE A 54 13.173 -0.224 9.143 1.00 0.00 C ATOM 460 CZ PHE A 54 13.645 0.330 10.329 1.00 0.00 C ATOM 0 H PHE A 54 9.167 -0.300 9.191 1.00 0.00 H new ATOM 0 HA PHE A 54 8.313 -2.757 10.635 1.00 0.00 H new ATOM 0 HB2 PHE A 54 10.575 -3.195 11.254 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.476 -3.137 9.505 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.567 -1.226 12.501 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.760 -1.568 8.250 1.00 0.00 H new ATOM 0 HE1 PHE A 54 13.425 0.398 12.459 1.00 0.00 H new ATOM 0 HE2 PHE A 54 13.620 0.055 8.200 1.00 0.00 H new ATOM 0 HZ PHE A 54 14.460 1.038 10.310 1.00 0.00 H new ATOM 462 N ILE A 55 8.738 0.318 11.406 1.00 0.00 N ATOM 463 CA ILE A 55 8.618 1.328 12.457 1.00 0.00 C ATOM 464 C ILE A 55 7.254 1.300 13.143 1.00 0.00 C ATOM 465 O ILE A 55 7.056 1.956 14.165 1.00 0.00 O ATOM 466 CB ILE A 55 8.850 2.754 11.910 1.00 0.00 C ATOM 467 CG1 ILE A 55 7.855 3.045 10.784 1.00 0.00 C ATOM 468 CG2 ILE A 55 10.282 2.901 11.432 1.00 0.00 C ATOM 469 CD1 ILE A 55 7.857 4.484 10.315 1.00 0.00 C ATOM 0 H ILE A 55 8.689 0.688 10.457 1.00 0.00 H new ATOM 0 HA ILE A 55 9.390 1.078 13.185 1.00 0.00 H new ATOM 0 HB ILE A 55 8.686 3.480 12.706 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.082 2.398 9.937 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.852 2.786 11.124 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.436 3.910 11.048 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.963 2.721 12.264 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.477 2.178 10.640 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.125 4.607 9.517 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.599 5.138 11.148 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.848 4.744 9.942 1.00 0.00 H new ATOM 471 N GLU A 56 6.311 0.552 12.579 1.00 0.00 N ATOM 472 CA GLU A 56 4.975 0.443 13.163 1.00 0.00 C ATOM 473 C GLU A 56 4.983 -0.574 14.302 1.00 0.00 C ATOM 474 O GLU A 56 4.195 -0.473 15.246 1.00 0.00 O ATOM 475 CB GLU A 56 3.962 0.016 12.091 1.00 0.00 C ATOM 476 CG GLU A 56 2.609 -0.488 12.610 1.00 0.00 C ATOM 477 CD GLU A 56 1.740 0.590 13.244 1.00 0.00 C ATOM 478 OE1 GLU A 56 2.222 1.723 13.459 1.00 0.00 O ATOM 479 OE2 GLU A 56 0.559 0.289 13.534 1.00 0.00 O ATOM 0 H GLU A 56 6.444 0.014 11.723 1.00 0.00 H new ATOM 0 HA GLU A 56 4.685 1.417 13.557 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.783 0.864 11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.413 -0.770 11.486 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.061 -0.940 11.783 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.785 -1.275 13.344 1.00 0.00 H new ATOM 481 N THR A 57 5.892 -1.545 14.212 1.00 0.00 N ATOM 482 CA THR A 57 5.999 -2.595 15.218 1.00 0.00 C ATOM 483 C THR A 57 7.323 -2.617 15.976 1.00 0.00 C ATOM 484 O THR A 57 7.547 -3.496 16.808 1.00 0.00 O ATOM 485 CB THR A 57 5.767 -3.987 14.590 1.00 0.00 C ATOM 486 OG1 THR A 57 6.713 -4.202 13.533 1.00 0.00 O ATOM 487 CG2 THR A 57 4.353 -4.089 14.031 1.00 0.00 C ATOM 0 H THR A 57 6.565 -1.624 13.450 1.00 0.00 H new ATOM 0 HA THR A 57 5.220 -2.359 15.943 1.00 0.00 H new ATOM 0 HB THR A 57 5.898 -4.745 15.362 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.385 -4.909 12.939 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.206 -5.076 13.592 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.632 -3.938 14.835 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.208 -3.326 13.266 1.00 0.00 H new ATOM 489 N CYS A 58 8.203 -1.662 15.688 1.00 0.00 N ATOM 490 CA CYS A 58 9.482 -1.580 16.388 1.00 0.00 C ATOM 491 C CYS A 58 9.622 -0.167 16.935 1.00 0.00 C ATOM 492 O CYS A 58 9.081 0.783 16.372 1.00 0.00 O ATOM 493 CB CYS A 58 10.659 -1.871 15.456 1.00 0.00 C ATOM 494 SG CYS A 58 10.684 -3.488 14.614 1.00 0.00 S ATOM 0 H CYS A 58 8.057 -0.941 14.982 1.00 0.00 H new ATOM 0 HA CYS A 58 9.497 -2.325 17.184 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.684 -1.093 14.693 1.00 0.00 H new ATOM 0 HB3 CYS A 58 11.578 -1.779 16.035 1.00 0.00 H new ATOM 496 N ARG A 59 10.359 -0.035 18.029 1.00 0.00 N ATOM 497 CA ARG A 59 10.552 1.262 18.656 1.00 0.00 C ATOM 498 C ARG A 59 12.010 1.433 19.062 1.00 0.00 C ATOM 499 O ARG A 59 12.804 0.490 19.001 1.00 0.00 O ATOM 500 CB ARG A 59 9.667 1.366 19.897 1.00 0.00 C ATOM 501 CG ARG A 59 10.109 0.422 21.000 1.00 0.00 C ATOM 502 CD ARG A 59 9.119 0.342 22.146 1.00 0.00 C ATOM 503 NE ARG A 59 9.623 -0.556 23.181 1.00 0.00 N ATOM 504 CZ ARG A 59 8.904 -1.011 24.199 1.00 0.00 C ATOM 505 NH1 ARG A 59 7.633 -0.656 24.329 1.00 0.00 N ATOM 506 NH2 ARG A 59 9.460 -1.825 25.086 1.00 0.00 N ATOM 0 H ARG A 59 10.831 -0.808 18.498 1.00 0.00 H new ATOM 0 HA ARG A 59 10.283 2.043 17.945 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.686 2.390 20.269 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.635 1.145 19.624 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.253 -0.574 20.582 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.075 0.749 21.384 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.953 1.335 22.564 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.156 -0.015 21.781 1.00 0.00 H new ATOM 0 HE ARG A 59 10.596 -0.855 23.117 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.205 -0.031 23.645 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.083 -1.008 25.113 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.437 -2.099 24.984 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.910 -2.177 25.870 1.00 0.00 H new ATOM 508 N ASN A 60 12.355 2.646 19.473 1.00 0.00 N ATOM 509 CA ASN A 60 13.704 2.955 19.923 1.00 0.00 C ATOM 510 C ASN A 60 14.786 2.504 18.944 1.00 0.00 C ATOM 511 O ASN A 60 15.726 1.800 19.317 1.00 0.00 O ATOM 512 CB ASN A 60 13.933 2.322 21.301 1.00 0.00 C ATOM 513 CG ASN A 60 15.233 2.761 21.944 1.00 0.00 C ATOM 514 OD1 ASN A 60 15.690 3.888 21.746 1.00 0.00 O ATOM 515 ND2 ASN A 60 15.828 1.879 22.740 1.00 0.00 N ATOM 0 H ASN A 60 11.712 3.438 19.504 1.00 0.00 H new ATOM 0 HA ASN A 60 13.786 4.040 19.984 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.103 2.583 21.957 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.931 1.237 21.201 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.697 2.125 23.214 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.416 0.956 22.877 1.00 0.00 H new ATOM 518 N THR A 61 14.654 2.910 17.687 1.00 0.00 N ATOM 519 CA THR A 61 15.652 2.550 16.689 1.00 0.00 C ATOM 520 C THR A 61 16.891 3.387 16.970 1.00 0.00 C ATOM 521 O THR A 61 16.790 4.574 17.286 1.00 0.00 O ATOM 522 CB THR A 61 15.167 2.846 15.254 1.00 0.00 C ATOM 523 OG1 THR A 61 14.944 4.256 15.102 1.00 0.00 O ATOM 524 CG2 THR A 61 13.881 2.090 14.962 1.00 0.00 C ATOM 0 H THR A 61 13.881 3.478 17.339 1.00 0.00 H new ATOM 0 HA THR A 61 15.852 1.480 16.754 1.00 0.00 H new ATOM 0 HB THR A 61 15.933 2.520 14.550 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.562 4.433 14.217 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.552 2.310 13.946 1.00 0.00 H new ATOM 0 HG22 THR A 61 14.058 1.019 15.063 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.109 2.398 15.668 1.00 0.00 H new ATOM 526 N GLN A 62 18.062 2.769 16.871 1.00 0.00 N ATOM 527 CA GLN A 62 19.308 3.478 17.125 1.00 0.00 C ATOM 528 C GLN A 62 20.428 2.916 16.269 1.00 0.00 C ATOM 529 O GLN A 62 20.377 1.761 15.849 1.00 0.00 O ATOM 530 CB GLN A 62 19.722 3.345 18.599 1.00 0.00 C ATOM 531 CG GLN A 62 18.654 3.718 19.614 1.00 0.00 C ATOM 532 CD GLN A 62 19.185 3.737 21.039 1.00 0.00 C ATOM 533 OE1 GLN A 62 20.505 3.742 21.178 1.00 0.00 O flip ATOM 534 NE2 GLN A 62 18.418 3.759 22.001 1.00 0.00 N flip ATOM 0 H GLN A 62 18.174 1.787 16.619 1.00 0.00 H new ATOM 0 HA GLN A 62 19.140 4.527 16.880 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.028 2.315 18.781 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.597 3.972 18.771 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.250 4.700 19.367 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.830 3.008 19.546 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.409 3.754 21.849 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.791 3.782 22.950 1.00 0.00 H new ATOM 536 N LEU A 63 21.432 3.743 16.004 1.00 0.00 N ATOM 537 CA LEU A 63 22.594 3.302 15.250 1.00 0.00 C ATOM 538 C LEU A 63 23.604 2.860 16.299 1.00 0.00 C ATOM 539 O LEU A 63 24.090 3.679 17.084 1.00 0.00 O ATOM 540 CB LEU A 63 23.188 4.443 14.418 1.00 0.00 C ATOM 541 CG LEU A 63 24.493 4.089 13.698 1.00 0.00 C ATOM 542 CD1 LEU A 63 24.235 3.003 12.669 1.00 0.00 C ATOM 543 CD2 LEU A 63 25.071 5.324 13.027 1.00 0.00 C ATOM 0 H LEU A 63 21.463 4.719 16.300 1.00 0.00 H new ATOM 0 HA LEU A 63 22.330 2.507 14.553 1.00 0.00 H new ATOM 0 HB2 LEU A 63 22.453 4.757 13.677 1.00 0.00 H new ATOM 0 HB3 LEU A 63 23.368 5.297 15.071 1.00 0.00 H new ATOM 0 HG LEU A 63 25.214 3.720 14.428 1.00 0.00 H new ATOM 0 HD11 LEU A 63 25.167 2.755 12.160 1.00 0.00 H new ATOM 0 HD12 LEU A 63 23.846 2.115 13.167 1.00 0.00 H new ATOM 0 HD13 LEU A 63 23.507 3.358 11.940 1.00 0.00 H new ATOM 0 HD21 LEU A 63 25.998 5.061 12.518 1.00 0.00 H new ATOM 0 HD22 LEU A 63 24.356 5.712 12.301 1.00 0.00 H new ATOM 0 HD23 LEU A 63 25.273 6.086 13.780 1.00 0.00 H new ATOM 545 N ALA A 64 23.901 1.566 16.322 1.00 0.00 N ATOM 546 CA ALA A 64 24.854 1.009 17.276 1.00 0.00 C ATOM 547 C ALA A 64 26.191 0.855 16.570 1.00 0.00 C ATOM 548 O ALA A 64 26.299 0.139 15.574 1.00 0.00 O ATOM 549 CB ALA A 64 24.363 -0.341 17.778 1.00 0.00 C ATOM 0 H ALA A 64 23.493 0.879 15.687 1.00 0.00 H new ATOM 0 HA ALA A 64 24.959 1.671 18.136 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.082 -0.748 18.489 1.00 0.00 H new ATOM 0 HB2 ALA A 64 23.397 -0.218 18.268 1.00 0.00 H new ATOM 0 HB3 ALA A 64 24.258 -1.026 16.937 1.00 0.00 H new ATOM 551 N GLY A 65 27.210 1.532 17.084 1.00 0.00 N ATOM 552 CA GLY A 65 28.512 1.457 16.456 1.00 0.00 C ATOM 553 C GLY A 65 28.507 2.270 15.176 1.00 0.00 C ATOM 554 O GLY A 65 27.909 3.345 15.119 1.00 0.00 O ATOM 0 H GLY A 65 27.159 2.124 17.913 1.00 0.00 H new ATOM 0 HA2 GLY A 65 29.277 1.834 17.135 1.00 0.00 H new ATOM 0 HA3 GLY A 65 28.763 0.419 16.238 1.00 0.00 H new ATOM 556 N SER A 66 29.149 1.753 14.136 1.00 0.00 N ATOM 557 CA SER A 66 29.218 2.470 12.871 1.00 0.00 C ATOM 558 C SER A 66 28.263 1.971 11.791 1.00 0.00 C ATOM 559 O SER A 66 28.076 2.646 10.780 1.00 0.00 O ATOM 560 CB SER A 66 30.649 2.426 12.330 1.00 0.00 C ATOM 561 OG SER A 66 31.088 1.086 12.179 1.00 0.00 O ATOM 0 H SER A 66 29.624 0.850 14.143 1.00 0.00 H new ATOM 0 HA SER A 66 28.904 3.488 13.102 1.00 0.00 H new ATOM 0 HB2 SER A 66 30.696 2.939 11.370 1.00 0.00 H new ATOM 0 HB3 SER A 66 31.316 2.958 13.009 1.00 0.00 H new ATOM 0 HG SER A 66 32.004 1.079 11.831 1.00 0.00 H new ATOM 563 N SER A 67 27.646 0.809 11.991 1.00 0.00 N ATOM 564 CA SER A 67 26.753 0.286 10.959 1.00 0.00 C ATOM 565 C SER A 67 25.601 -0.597 11.420 1.00 0.00 C ATOM 566 O SER A 67 24.865 -1.132 10.589 1.00 0.00 O ATOM 567 CB SER A 67 27.575 -0.498 9.938 1.00 0.00 C ATOM 568 OG SER A 67 28.151 -1.646 10.538 1.00 0.00 O ATOM 0 H SER A 67 27.741 0.229 12.825 1.00 0.00 H new ATOM 0 HA SER A 67 26.278 1.176 10.547 1.00 0.00 H new ATOM 0 HB2 SER A 67 26.940 -0.797 9.104 1.00 0.00 H new ATOM 0 HB3 SER A 67 28.360 0.138 9.529 1.00 0.00 H new ATOM 0 HG SER A 67 27.695 -2.450 10.212 1.00 0.00 H new ATOM 570 N GLU A 68 25.432 -0.741 12.728 1.00 0.00 N ATOM 571 CA GLU A 68 24.385 -1.599 13.266 1.00 0.00 C ATOM 572 C GLU A 68 23.079 -0.871 13.571 1.00 0.00 C ATOM 573 O GLU A 68 23.079 0.151 14.248 1.00 0.00 O ATOM 574 CB GLU A 68 24.902 -2.265 14.547 1.00 0.00 C ATOM 575 CG GLU A 68 24.195 -3.539 14.959 1.00 0.00 C ATOM 576 CD GLU A 68 24.522 -4.706 14.049 1.00 0.00 C ATOM 577 OE1 GLU A 68 25.689 -4.821 13.619 1.00 0.00 O ATOM 578 OE2 GLU A 68 23.619 -5.517 13.774 1.00 0.00 O ATOM 0 H GLU A 68 26.004 -0.277 13.433 1.00 0.00 H new ATOM 0 HA GLU A 68 24.153 -2.332 12.493 1.00 0.00 H new ATOM 0 HB2 GLU A 68 25.962 -2.486 14.417 1.00 0.00 H new ATOM 0 HB3 GLU A 68 24.824 -1.548 15.364 1.00 0.00 H new ATOM 0 HG2 GLU A 68 24.475 -3.791 15.982 1.00 0.00 H new ATOM 0 HG3 GLU A 68 23.118 -3.370 14.955 1.00 0.00 H new ATOM 580 N LEU A 69 21.969 -1.384 13.048 1.00 0.00 N ATOM 581 CA LEU A 69 20.664 -0.809 13.344 1.00 0.00 C ATOM 582 C LEU A 69 20.112 -1.640 14.495 1.00 0.00 C ATOM 583 O LEU A 69 19.945 -2.852 14.365 1.00 0.00 O ATOM 584 CB LEU A 69 19.714 -0.909 12.147 1.00 0.00 C ATOM 585 CG LEU A 69 18.231 -0.646 12.466 1.00 0.00 C ATOM 586 CD1 LEU A 69 18.050 0.772 13.001 1.00 0.00 C ATOM 587 CD2 LEU A 69 17.388 -0.856 11.212 1.00 0.00 C ATOM 0 H LEU A 69 21.948 -2.190 12.423 1.00 0.00 H new ATOM 0 HA LEU A 69 20.755 0.250 13.585 1.00 0.00 H new ATOM 0 HB2 LEU A 69 20.037 -0.199 11.386 1.00 0.00 H new ATOM 0 HB3 LEU A 69 19.805 -1.905 11.713 1.00 0.00 H new ATOM 0 HG LEU A 69 17.901 -1.347 13.233 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.997 0.946 13.223 1.00 0.00 H new ATOM 0 HD12 LEU A 69 18.638 0.895 13.911 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.386 1.489 12.252 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.339 -0.669 11.443 1.00 0.00 H new ATOM 0 HD22 LEU A 69 17.717 -0.168 10.433 1.00 0.00 H new ATOM 0 HD23 LEU A 69 17.505 -1.882 10.863 1.00 0.00 H new ATOM 589 N ALA A 70 19.841 -0.989 15.622 1.00 0.00 N ATOM 590 CA ALA A 70 19.308 -1.676 16.788 1.00 0.00 C ATOM 591 C ALA A 70 17.913 -1.153 17.086 1.00 0.00 C ATOM 592 O ALA A 70 17.604 0.012 16.820 1.00 0.00 O ATOM 593 CB ALA A 70 20.218 -1.450 17.990 1.00 0.00 C ATOM 0 H ALA A 70 19.982 0.013 15.750 1.00 0.00 H new ATOM 0 HA ALA A 70 19.258 -2.746 16.585 1.00 0.00 H new ATOM 0 HB1 ALA A 70 19.810 -1.968 18.858 1.00 0.00 H new ATOM 0 HB2 ALA A 70 21.213 -1.837 17.771 1.00 0.00 H new ATOM 0 HB3 ALA A 70 20.282 -0.383 18.202 1.00 0.00 H new ATOM 595 N ALA A 71 17.067 -2.017 17.630 1.00 0.00 N ATOM 596 CA ALA A 71 15.712 -1.624 17.972 1.00 0.00 C ATOM 597 C ALA A 71 15.041 -2.683 18.829 1.00 0.00 C ATOM 598 O ALA A 71 15.572 -3.775 19.021 1.00 0.00 O ATOM 599 CB ALA A 71 14.896 -1.391 16.702 1.00 0.00 C ATOM 0 H ALA A 71 17.295 -2.988 17.842 1.00 0.00 H new ATOM 0 HA ALA A 71 15.761 -0.697 18.543 1.00 0.00 H new ATOM 0 HB1 ALA A 71 13.881 -1.097 16.970 1.00 0.00 H new ATOM 0 HB2 ALA A 71 15.359 -0.600 16.112 1.00 0.00 H new ATOM 0 HB3 ALA A 71 14.864 -2.310 16.116 1.00 0.00 H new ATOM 601 N GLU A 72 13.877 -2.329 19.355 1.00 0.00 N ATOM 602 CA GLU A 72 13.064 -3.225 20.164 1.00 0.00 C ATOM 603 C GLU A 72 11.852 -3.493 19.280 1.00 0.00 C ATOM 604 O GLU A 72 11.107 -2.573 18.947 1.00 0.00 O ATOM 605 CB GLU A 72 12.642 -2.525 21.460 1.00 0.00 C ATOM 606 CG GLU A 72 13.772 -2.372 22.467 1.00 0.00 C ATOM 607 CD GLU A 72 13.569 -1.191 23.406 1.00 0.00 C ATOM 608 OE1 GLU A 72 12.407 -0.868 23.727 1.00 0.00 O ATOM 609 OE2 GLU A 72 14.577 -0.593 23.835 1.00 0.00 O ATOM 0 H GLU A 72 13.467 -1.403 19.231 1.00 0.00 H new ATOM 0 HA GLU A 72 13.584 -4.136 20.459 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.247 -1.538 21.218 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.831 -3.089 21.920 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.856 -3.287 23.054 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.714 -2.248 21.933 1.00 0.00 H new ATOM 611 N CYS A 73 11.672 -4.746 18.878 1.00 0.00 N ATOM 612 CA CYS A 73 10.563 -5.094 17.996 1.00 0.00 C ATOM 613 C CYS A 73 9.578 -6.085 18.594 1.00 0.00 C ATOM 614 O CYS A 73 9.955 -6.962 19.370 1.00 0.00 O ATOM 615 CB CYS A 73 11.097 -5.680 16.696 1.00 0.00 C ATOM 616 SG CYS A 73 12.078 -4.587 15.615 1.00 0.00 S ATOM 0 H CYS A 73 12.270 -5.528 19.144 1.00 0.00 H new ATOM 0 HA CYS A 73 10.023 -4.162 17.828 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.712 -6.545 16.945 1.00 0.00 H new ATOM 0 HB3 CYS A 73 10.248 -6.048 16.120 1.00 0.00 H new ATOM 618 N LYS A 74 8.315 -5.951 18.198 1.00 0.00 N ATOM 619 CA LYS A 74 7.256 -6.834 18.671 1.00 0.00 C ATOM 620 C LYS A 74 7.280 -8.199 17.991 1.00 0.00 C ATOM 621 O LYS A 74 7.481 -8.301 16.782 1.00 0.00 O ATOM 622 CB LYS A 74 5.887 -6.198 18.426 1.00 0.00 C ATOM 623 CG LYS A 74 5.559 -5.031 19.332 1.00 0.00 C ATOM 624 CD LYS A 74 4.278 -4.330 18.896 1.00 0.00 C ATOM 625 CE LYS A 74 3.095 -5.283 18.865 1.00 0.00 C ATOM 626 NZ LYS A 74 1.859 -4.597 18.397 1.00 0.00 N ATOM 0 H LYS A 74 8.000 -5.233 17.546 1.00 0.00 H new ATOM 0 HA LYS A 74 7.431 -6.979 19.737 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.838 -5.861 17.391 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.120 -6.962 18.549 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.451 -5.384 20.358 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.385 -4.320 19.325 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.064 -3.507 19.578 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.420 -3.895 17.907 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.319 -6.122 18.207 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.930 -5.694 19.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.086 -5.288 18.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.595 -3.855 19.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.032 -4.168 17.465 1.00 0.00 H new ATOM 628 N THR A 75 7.067 -9.244 18.781 1.00 0.00 N ATOM 629 CA THR A 75 7.029 -10.606 18.266 1.00 0.00 C ATOM 630 C THR A 75 5.582 -10.892 17.873 1.00 0.00 C ATOM 631 O THR A 75 4.706 -10.045 18.046 1.00 0.00 O ATOM 632 CB THR A 75 7.435 -11.619 19.342 1.00 0.00 C ATOM 633 OG1 THR A 75 6.494 -11.561 20.420 1.00 0.00 O ATOM 634 CG2 THR A 75 8.824 -11.310 19.870 1.00 0.00 C ATOM 0 H THR A 75 6.917 -9.173 19.787 1.00 0.00 H new ATOM 0 HA THR A 75 7.719 -10.697 17.427 1.00 0.00 H new ATOM 0 HB THR A 75 7.443 -12.617 18.903 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.748 -12.208 21.111 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.094 -12.040 20.633 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.543 -11.357 19.052 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.834 -10.311 20.305 1.00 0.00 H new ATOM 636 N ARG A 76 5.337 -12.087 17.346 1.00 0.00 N ATOM 637 CA ARG A 76 3.986 -12.477 16.956 1.00 0.00 C ATOM 638 C ARG A 76 3.106 -12.464 18.204 1.00 0.00 C ATOM 639 O ARG A 76 1.900 -12.221 18.126 1.00 0.00 O ATOM 640 CB ARG A 76 4.002 -13.884 16.354 1.00 0.00 C ATOM 641 CG ARG A 76 4.878 -14.036 15.122 1.00 0.00 C ATOM 642 CD ARG A 76 4.230 -13.436 13.884 1.00 0.00 C ATOM 643 NE ARG A 76 5.083 -13.553 12.701 1.00 0.00 N ATOM 644 CZ ARG A 76 5.580 -14.698 12.242 1.00 0.00 C ATOM 645 NH1 ARG A 76 5.319 -15.841 12.865 1.00 0.00 N ATOM 646 NH2 ARG A 76 6.343 -14.701 11.157 1.00 0.00 N ATOM 0 H ARG A 76 6.050 -12.798 17.180 1.00 0.00 H new ATOM 0 HA ARG A 76 3.598 -11.783 16.211 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.343 -14.586 17.115 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.981 -14.165 16.095 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.839 -13.553 15.299 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.080 -15.093 14.949 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.280 -13.936 13.695 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.007 -12.385 14.066 1.00 0.00 H new ATOM 0 HE ARG A 76 5.312 -12.698 12.194 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.734 -15.844 13.701 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.703 -16.716 12.508 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.548 -13.826 10.675 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.725 -15.579 10.804 1.00 0.00 H new ATOM 648 N ALA A 77 3.726 -12.722 19.352 1.00 0.00 N ATOM 649 CA ALA A 77 3.026 -12.756 20.631 1.00 0.00 C ATOM 650 C ALA A 77 2.787 -11.361 21.202 1.00 0.00 C ATOM 651 O ALA A 77 2.315 -11.217 22.330 1.00 0.00 O ATOM 652 CB ALA A 77 3.811 -13.600 21.627 1.00 0.00 C ATOM 0 H ALA A 77 4.726 -12.913 19.421 1.00 0.00 H new ATOM 0 HA ALA A 77 2.048 -13.203 20.455 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.284 -13.622 22.581 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.911 -14.616 21.244 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.801 -13.167 21.770 1.00 0.00 H new ATOM 654 N GLN A 78 3.125 -10.340 20.420 1.00 0.00 N ATOM 655 CA GLN A 78 2.930 -8.946 20.816 1.00 0.00 C ATOM 656 C GLN A 78 3.821 -8.461 21.957 1.00 0.00 C ATOM 657 O GLN A 78 3.454 -7.539 22.684 1.00 0.00 O ATOM 658 CB GLN A 78 1.462 -8.714 21.185 1.00 0.00 C ATOM 659 CG GLN A 78 0.487 -9.129 20.096 1.00 0.00 C ATOM 660 CD GLN A 78 0.774 -8.447 18.774 1.00 0.00 C ATOM 661 OE1 GLN A 78 0.716 -7.223 18.669 1.00 0.00 O ATOM 662 NE2 GLN A 78 1.089 -9.239 17.755 1.00 0.00 N ATOM 0 H GLN A 78 3.541 -10.454 19.496 1.00 0.00 H new ATOM 0 HA GLN A 78 3.223 -8.359 19.946 1.00 0.00 H new ATOM 0 HB2 GLN A 78 1.233 -9.268 22.096 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.315 -7.657 21.409 1.00 0.00 H new ATOM 0 HG2 GLN A 78 0.534 -10.210 19.962 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.529 -8.891 20.412 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.125 -10.250 17.887 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.295 -8.836 16.841 1.00 0.00 H new ATOM 664 N GLN A 79 4.989 -9.073 22.113 1.00 0.00 N ATOM 665 CA GLN A 79 5.918 -8.670 23.161 1.00 0.00 C ATOM 666 C GLN A 79 7.177 -8.110 22.510 1.00 0.00 C ATOM 667 O GLN A 79 7.599 -8.594 21.462 1.00 0.00 O ATOM 668 CB GLN A 79 6.272 -9.872 24.040 1.00 0.00 C ATOM 669 CG GLN A 79 5.065 -10.509 24.709 1.00 0.00 C ATOM 670 CD GLN A 79 5.423 -11.732 25.525 1.00 0.00 C ATOM 671 OE1 GLN A 79 5.997 -12.691 25.009 1.00 0.00 O ATOM 672 NE2 GLN A 79 5.083 -11.708 26.808 1.00 0.00 N ATOM 0 H GLN A 79 5.314 -9.845 21.531 1.00 0.00 H new ATOM 0 HA GLN A 79 5.457 -7.908 23.789 1.00 0.00 H new ATOM 0 HB2 GLN A 79 6.778 -10.621 23.431 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.978 -9.556 24.808 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.584 -9.775 25.355 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.338 -10.787 23.946 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.608 -10.892 27.195 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.297 -12.505 27.407 1.00 0.00 H new ATOM 674 N PHE A 80 7.768 -7.085 23.118 1.00 0.00 N ATOM 675 CA PHE A 80 8.979 -6.481 22.567 1.00 0.00 C ATOM 676 C PHE A 80 10.255 -7.205 22.979 1.00 0.00 C ATOM 677 O PHE A 80 10.444 -7.539 24.150 1.00 0.00 O ATOM 678 CB PHE A 80 9.097 -5.010 22.978 1.00 0.00 C ATOM 679 CG PHE A 80 8.215 -4.084 22.193 1.00 0.00 C ATOM 680 CD1 PHE A 80 6.881 -3.906 22.544 1.00 0.00 C ATOM 681 CD2 PHE A 80 8.722 -3.377 21.107 1.00 0.00 C ATOM 682 CE1 PHE A 80 6.066 -3.033 21.823 1.00 0.00 C ATOM 683 CE2 PHE A 80 7.918 -2.504 20.380 1.00 0.00 C ATOM 684 CZ PHE A 80 6.587 -2.331 20.739 1.00 0.00 C ATOM 0 H PHE A 80 7.434 -6.659 23.982 1.00 0.00 H new ATOM 0 HA PHE A 80 8.878 -6.566 21.485 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.852 -4.918 24.036 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.133 -4.693 22.862 1.00 0.00 H new ATOM 0 HD1 PHE A 80 6.472 -4.449 23.383 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.756 -3.508 20.824 1.00 0.00 H new ATOM 0 HE1 PHE A 80 5.032 -2.902 22.105 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.327 -1.963 19.540 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.958 -1.654 20.179 1.00 0.00 H new ATOM 686 N VAL A 81 11.122 -7.449 22.002 1.00 0.00 N ATOM 687 CA VAL A 81 12.398 -8.108 22.239 1.00 0.00 C ATOM 688 C VAL A 81 13.479 -7.290 21.539 1.00 0.00 C ATOM 689 O VAL A 81 13.191 -6.516 20.621 1.00 0.00 O ATOM 690 CB VAL A 81 12.408 -9.558 21.692 1.00 0.00 C ATOM 691 CG1 VAL A 81 11.370 -10.394 22.424 1.00 0.00 C ATOM 692 CG2 VAL A 81 12.132 -9.560 20.200 1.00 0.00 C ATOM 0 H VAL A 81 10.959 -7.196 21.027 1.00 0.00 H new ATOM 0 HA VAL A 81 12.576 -8.167 23.313 1.00 0.00 H new ATOM 0 HB VAL A 81 13.393 -9.993 21.860 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.382 -11.412 22.035 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.601 -10.410 23.489 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.381 -9.960 22.274 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.142 -10.585 19.829 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.155 -9.115 20.010 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.900 -8.981 19.687 1.00 0.00 H new ATOM 694 N SER A 82 14.722 -7.458 21.977 1.00 0.00 N ATOM 695 CA SER A 82 15.845 -6.729 21.402 1.00 0.00 C ATOM 696 C SER A 82 16.335 -7.395 20.118 1.00 0.00 C ATOM 697 O SER A 82 16.452 -8.617 20.048 1.00 0.00 O ATOM 698 CB SER A 82 16.990 -6.656 22.416 1.00 0.00 C ATOM 699 OG SER A 82 18.029 -5.806 21.964 1.00 0.00 O ATOM 0 H SER A 82 14.977 -8.095 22.731 1.00 0.00 H new ATOM 0 HA SER A 82 15.507 -5.722 21.157 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.610 -6.292 23.370 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.387 -7.656 22.591 1.00 0.00 H new ATOM 0 HG SER A 82 18.744 -5.779 22.634 1.00 0.00 H new ATOM 701 N THR A 83 16.622 -6.586 19.105 1.00 0.00 N ATOM 702 CA THR A 83 17.098 -7.107 17.832 1.00 0.00 C ATOM 703 C THR A 83 18.022 -6.104 17.153 1.00 0.00 C ATOM 704 O THR A 83 18.018 -4.918 17.481 1.00 0.00 O ATOM 705 CB THR A 83 15.914 -7.436 16.889 1.00 0.00 C ATOM 706 OG1 THR A 83 16.415 -7.959 15.650 1.00 0.00 O ATOM 707 CG2 THR A 83 15.082 -6.196 16.607 1.00 0.00 C ATOM 0 H THR A 83 16.533 -5.570 19.141 1.00 0.00 H new ATOM 0 HA THR A 83 17.651 -8.024 18.037 1.00 0.00 H new ATOM 0 HB THR A 83 15.283 -8.177 17.380 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.493 -8.934 15.714 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.257 -6.454 15.943 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.685 -5.804 17.543 1.00 0.00 H new ATOM 0 HG23 THR A 83 15.706 -5.439 16.133 1.00 0.00 H new ATOM 709 N LYS A 84 18.833 -6.587 16.221 1.00 0.00 N ATOM 710 CA LYS A 84 19.732 -5.712 15.492 1.00 0.00 C ATOM 711 C LYS A 84 20.050 -6.328 14.143 1.00 0.00 C ATOM 712 O LYS A 84 19.866 -7.529 13.935 1.00 0.00 O ATOM 713 CB LYS A 84 21.016 -5.455 16.290 1.00 0.00 C ATOM 714 CG LYS A 84 21.884 -6.675 16.530 1.00 0.00 C ATOM 715 CD LYS A 84 23.005 -6.340 17.511 1.00 0.00 C ATOM 716 CE LYS A 84 23.934 -7.517 17.744 1.00 0.00 C ATOM 717 NZ LYS A 84 24.722 -7.862 16.530 1.00 0.00 N ATOM 0 H LYS A 84 18.885 -7.571 15.956 1.00 0.00 H new ATOM 0 HA LYS A 84 19.243 -4.750 15.339 1.00 0.00 H new ATOM 0 HB2 LYS A 84 21.608 -4.706 15.764 1.00 0.00 H new ATOM 0 HB3 LYS A 84 20.745 -5.027 17.255 1.00 0.00 H new ATOM 0 HG2 LYS A 84 21.277 -7.490 16.924 1.00 0.00 H new ATOM 0 HG3 LYS A 84 22.307 -7.020 15.587 1.00 0.00 H new ATOM 0 HD2 LYS A 84 23.579 -5.496 17.129 1.00 0.00 H new ATOM 0 HD3 LYS A 84 22.572 -6.027 18.461 1.00 0.00 H new ATOM 0 HE2 LYS A 84 24.615 -7.283 18.562 1.00 0.00 H new ATOM 0 HE3 LYS A 84 23.349 -8.383 18.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 25.436 -8.578 16.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 24.086 -8.240 15.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 25.195 -7.009 16.169 1.00 0.00 H new ATOM 719 N ILE A 85 20.512 -5.488 13.226 1.00 0.00 N ATOM 720 CA ILE A 85 20.845 -5.930 11.884 1.00 0.00 C ATOM 721 C ILE A 85 21.999 -5.073 11.386 1.00 0.00 C ATOM 722 O ILE A 85 22.035 -3.867 11.632 1.00 0.00 O ATOM 723 CB ILE A 85 19.604 -5.796 10.963 1.00 0.00 C ATOM 724 CG1 ILE A 85 19.902 -6.381 9.584 1.00 0.00 C ATOM 725 CG2 ILE A 85 19.170 -4.340 10.871 1.00 0.00 C ATOM 726 CD1 ILE A 85 18.663 -6.519 8.715 1.00 0.00 C ATOM 0 H ILE A 85 20.664 -4.493 13.391 1.00 0.00 H new ATOM 0 HA ILE A 85 21.143 -6.979 11.880 1.00 0.00 H new ATOM 0 HB ILE A 85 18.778 -6.363 11.393 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.627 -5.745 9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 85 20.366 -7.360 9.704 1.00 0.00 H new ATOM 0 HG21 ILE A 85 18.298 -4.261 10.222 1.00 0.00 H new ATOM 0 HG22 ILE A 85 18.917 -3.972 11.865 1.00 0.00 H new ATOM 0 HG23 ILE A 85 19.984 -3.743 10.460 1.00 0.00 H new ATOM 0 HD11 ILE A 85 18.941 -6.940 7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.946 -7.178 9.205 1.00 0.00 H new ATOM 0 HD13 ILE A 85 18.211 -5.538 8.567 1.00 0.00 H new ATOM 728 N ASN A 86 22.961 -5.700 10.711 1.00 0.00 N ATOM 729 CA ASN A 86 24.122 -4.975 10.205 1.00 0.00 C ATOM 730 C ASN A 86 23.813 -4.305 8.873 1.00 0.00 C ATOM 731 O ASN A 86 23.669 -4.976 7.848 1.00 0.00 O ATOM 732 CB ASN A 86 25.307 -5.924 10.029 1.00 0.00 C ATOM 733 CG ASN A 86 26.623 -5.187 9.871 1.00 0.00 C ATOM 734 OD1 ASN A 86 26.651 -4.014 9.500 1.00 0.00 O ATOM 735 ND2 ASN A 86 27.725 -5.875 10.144 1.00 0.00 N ATOM 0 H ASN A 86 22.959 -6.699 10.504 1.00 0.00 H new ATOM 0 HA ASN A 86 24.375 -4.206 10.935 1.00 0.00 H new ATOM 0 HB2 ASN A 86 25.368 -6.588 10.891 1.00 0.00 H new ATOM 0 HB3 ASN A 86 25.139 -6.552 9.154 1.00 0.00 H new ATOM 0 HD21 ASN A 86 28.639 -5.433 10.049 1.00 0.00 H new ATOM 0 HD22 ASN A 86 27.658 -6.846 10.449 1.00 0.00 H new ATOM 737 N LEU A 87 23.721 -2.982 8.886 1.00 0.00 N ATOM 738 CA LEU A 87 23.420 -2.244 7.670 1.00 0.00 C ATOM 739 C LEU A 87 24.512 -2.391 6.611 1.00 0.00 C ATOM 740 O LEU A 87 24.257 -2.175 5.429 1.00 0.00 O ATOM 741 CB LEU A 87 23.164 -0.768 8.000 1.00 0.00 C ATOM 742 CG LEU A 87 21.958 -0.529 8.926 1.00 0.00 C ATOM 743 CD1 LEU A 87 21.787 0.963 9.160 1.00 0.00 C ATOM 744 CD2 LEU A 87 20.688 -1.123 8.325 1.00 0.00 C ATOM 0 H LEU A 87 23.849 -2.404 9.717 1.00 0.00 H new ATOM 0 HA LEU A 87 22.515 -2.674 7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 87 24.056 -0.352 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 87 23.008 -0.221 7.070 1.00 0.00 H new ATOM 0 HG LEU A 87 22.141 -1.024 9.880 1.00 0.00 H new ATOM 0 HD11 LEU A 87 20.933 1.133 9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 87 22.687 1.364 9.626 1.00 0.00 H new ATOM 0 HD13 LEU A 87 21.618 1.464 8.207 1.00 0.00 H new ATOM 0 HD21 LEU A 87 19.849 -0.942 8.996 1.00 0.00 H new ATOM 0 HD22 LEU A 87 20.489 -0.655 7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 87 20.818 -2.196 8.188 1.00 0.00 H new ATOM 746 N ASP A 88 25.723 -2.767 7.017 1.00 0.00 N ATOM 747 CA ASP A 88 26.792 -2.956 6.036 1.00 0.00 C ATOM 748 C ASP A 88 26.486 -4.144 5.117 1.00 0.00 C ATOM 749 O ASP A 88 27.149 -4.325 4.095 1.00 0.00 O ATOM 750 CB ASP A 88 28.148 -3.190 6.713 1.00 0.00 C ATOM 751 CG ASP A 88 28.870 -1.901 7.054 1.00 0.00 C ATOM 752 OD1 ASP A 88 28.611 -0.867 6.405 1.00 0.00 O ATOM 753 OD2 ASP A 88 29.722 -1.926 7.968 1.00 0.00 O ATOM 0 H ASP A 88 25.985 -2.943 7.987 1.00 0.00 H new ATOM 0 HA ASP A 88 26.845 -2.040 5.448 1.00 0.00 H new ATOM 0 HB2 ASP A 88 27.998 -3.768 7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 88 28.778 -3.790 6.056 1.00 0.00 H new ATOM 755 N ASP A 89 25.492 -4.952 5.477 1.00 0.00 N ATOM 756 CA ASP A 89 25.120 -6.102 4.652 1.00 0.00 C ATOM 757 C ASP A 89 24.641 -5.681 3.263 1.00 0.00 C ATOM 758 O ASP A 89 24.982 -6.314 2.260 1.00 0.00 O ATOM 759 CB ASP A 89 23.975 -6.903 5.279 1.00 0.00 C ATOM 760 CG ASP A 89 24.365 -7.631 6.544 1.00 0.00 C ATOM 761 OD1 ASP A 89 25.565 -7.691 6.887 1.00 0.00 O ATOM 762 OD2 ASP A 89 23.433 -8.164 7.191 1.00 0.00 O ATOM 0 H ASP A 89 24.935 -4.836 6.323 1.00 0.00 H new ATOM 0 HA ASP A 89 26.025 -6.706 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 89 23.149 -6.227 5.499 1.00 0.00 H new ATOM 0 HB3 ASP A 89 23.609 -7.627 4.551 1.00 0.00 H new ATOM 764 N HIS A 90 23.847 -4.614 3.211 1.00 0.00 N ATOM 765 CA HIS A 90 23.255 -4.159 1.954 1.00 0.00 C ATOM 766 C HIS A 90 23.296 -2.664 1.639 1.00 0.00 C ATOM 767 O HIS A 90 22.855 -2.251 0.568 1.00 0.00 O ATOM 768 CB HIS A 90 21.796 -4.623 1.899 1.00 0.00 C ATOM 769 CG HIS A 90 21.632 -6.099 1.721 1.00 0.00 C ATOM 770 ND1 HIS A 90 21.723 -6.714 0.490 1.00 0.00 N ATOM 771 CD2 HIS A 90 21.387 -7.084 2.616 1.00 0.00 C ATOM 772 CE1 HIS A 90 21.541 -8.014 0.635 1.00 0.00 C ATOM 773 NE2 HIS A 90 21.335 -8.265 1.916 1.00 0.00 N ATOM 0 H HIS A 90 23.599 -4.049 4.023 1.00 0.00 H new ATOM 0 HA HIS A 90 23.895 -4.607 1.194 1.00 0.00 H new ATOM 0 HB2 HIS A 90 21.295 -4.321 2.818 1.00 0.00 H new ATOM 0 HB3 HIS A 90 21.293 -4.111 1.079 1.00 0.00 H new ATOM 0 HD1 HIS A 90 21.903 -6.239 -0.395 1.00 0.00 H new ATOM 0 HD2 HIS A 90 21.257 -6.964 3.681 1.00 0.00 H new ATOM 0 HE1 HIS A 90 21.558 -8.747 -0.158 1.00 0.00 H new ATOM 775 N ILE A 91 23.793 -1.843 2.557 1.00 0.00 N ATOM 776 CA ILE A 91 23.856 -0.413 2.289 1.00 0.00 C ATOM 777 C ILE A 91 25.270 -0.048 1.873 1.00 0.00 C ATOM 778 O ILE A 91 26.229 -0.223 2.634 1.00 0.00 O ATOM 779 CB ILE A 91 23.441 0.419 3.518 1.00 0.00 C ATOM 780 CG1 ILE A 91 22.056 -0.022 4.006 1.00 0.00 C ATOM 781 CG2 ILE A 91 23.428 1.897 3.153 1.00 0.00 C ATOM 782 CD1 ILE A 91 20.971 0.047 2.949 1.00 0.00 C ATOM 0 H ILE A 91 24.149 -2.132 3.468 1.00 0.00 H new ATOM 0 HA ILE A 91 23.155 -0.184 1.487 1.00 0.00 H new ATOM 0 HB ILE A 91 24.159 0.259 4.322 1.00 0.00 H new ATOM 0 HG12 ILE A 91 22.123 -1.045 4.375 1.00 0.00 H new ATOM 0 HG13 ILE A 91 21.765 0.603 4.850 1.00 0.00 H new ATOM 0 HG21 ILE A 91 23.134 2.484 4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 91 24.424 2.201 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 91 22.717 2.066 2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 91 20.024 -0.282 3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 91 20.872 1.073 2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 91 21.235 -0.601 2.113 1.00 0.00 H new ATOM 784 N ALA A 92 25.393 0.451 0.651 1.00 0.00 N ATOM 785 CA ALA A 92 26.688 0.815 0.110 1.00 0.00 C ATOM 786 C ALA A 92 26.835 2.302 -0.156 1.00 0.00 C ATOM 787 O ALA A 92 25.849 3.039 -0.254 1.00 0.00 O ATOM 788 CB ALA A 92 26.933 0.042 -1.178 1.00 0.00 C ATOM 0 H ALA A 92 24.609 0.612 0.018 1.00 0.00 H new ATOM 0 HA ALA A 92 27.429 0.557 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 92 27.906 0.314 -1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 92 26.913 -1.028 -0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 92 26.155 0.285 -1.902 1.00 0.00 H new ATOM 790 N ASN A 93 28.088 2.733 -0.258 1.00 0.00 N ATOM 791 CA ASN A 93 28.409 4.112 -0.574 1.00 0.00 C ATOM 792 C ASN A 93 28.752 4.119 -2.058 1.00 0.00 C ATOM 793 O ASN A 93 29.838 3.691 -2.456 1.00 0.00 O ATOM 794 CB ASN A 93 29.615 4.602 0.236 1.00 0.00 C ATOM 795 CG ASN A 93 30.173 5.909 -0.293 1.00 0.00 C ATOM 796 OD1 ASN A 93 29.492 6.637 -1.014 1.00 0.00 O ATOM 797 ND2 ASN A 93 31.412 6.219 0.073 1.00 0.00 N ATOM 0 H ASN A 93 28.904 2.135 -0.124 1.00 0.00 H new ATOM 0 HA ASN A 93 27.576 4.772 -0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 93 29.322 4.730 1.278 1.00 0.00 H new ATOM 0 HB3 ASN A 93 30.396 3.842 0.216 1.00 0.00 H new ATOM 0 HD21 ASN A 93 31.835 7.091 -0.245 1.00 0.00 H new ATOM 0 HD22 ASN A 93 31.940 5.585 0.672 1.00 0.00 H new ATOM 799 N ILE A 94 27.813 4.580 -2.877 1.00 0.00 N ATOM 800 CA ILE A 94 28.035 4.645 -4.317 1.00 0.00 C ATOM 801 C ILE A 94 28.383 6.088 -4.665 1.00 0.00 C ATOM 802 O ILE A 94 27.502 6.939 -4.789 1.00 0.00 O ATOM 803 CB ILE A 94 26.775 4.215 -5.111 1.00 0.00 C ATOM 804 CG1 ILE A 94 26.306 2.827 -4.661 1.00 0.00 C ATOM 805 CG2 ILE A 94 27.084 4.199 -6.606 1.00 0.00 C ATOM 806 CD1 ILE A 94 27.292 1.703 -4.925 1.00 0.00 C ATOM 0 H ILE A 94 26.898 4.912 -2.572 1.00 0.00 H new ATOM 0 HA ILE A 94 28.841 3.962 -4.587 1.00 0.00 H new ATOM 0 HB ILE A 94 25.978 4.933 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 94 26.093 2.860 -3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 94 25.369 2.595 -5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 94 26.194 3.896 -7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 94 27.387 5.196 -6.926 1.00 0.00 H new ATOM 0 HG23 ILE A 94 27.891 3.494 -6.803 1.00 0.00 H new ATOM 0 HD11 ILE A 94 26.872 0.761 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 94 27.489 1.635 -5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 94 28.224 1.905 -4.397 1.00 0.00 H new ATOM 808 N ASP A 95 29.680 6.349 -4.794 1.00 0.00 N ATOM 809 CA ASP A 95 30.205 7.668 -5.124 1.00 0.00 C ATOM 810 C ASP A 95 29.626 8.795 -4.268 1.00 0.00 C ATOM 811 O ASP A 95 29.235 9.848 -4.781 1.00 0.00 O ATOM 812 CB ASP A 95 29.992 7.958 -6.614 1.00 0.00 C ATOM 813 CG ASP A 95 30.711 9.213 -7.078 1.00 0.00 C ATOM 814 OD1 ASP A 95 31.792 9.523 -6.532 1.00 0.00 O ATOM 815 OD2 ASP A 95 30.203 9.885 -8.002 1.00 0.00 O ATOM 0 H ASP A 95 30.404 5.641 -4.671 1.00 0.00 H new ATOM 0 HA ASP A 95 31.271 7.642 -4.898 1.00 0.00 H new ATOM 0 HB2 ASP A 95 30.342 7.107 -7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 95 28.925 8.063 -6.810 1.00 0.00 H new ATOM 817 N GLY A 96 29.573 8.560 -2.958 1.00 0.00 N ATOM 818 CA GLY A 96 29.078 9.569 -2.038 1.00 0.00 C ATOM 819 C GLY A 96 27.611 9.514 -1.656 1.00 0.00 C ATOM 820 O GLY A 96 27.167 10.306 -0.826 1.00 0.00 O ATOM 0 H GLY A 96 29.865 7.687 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 96 29.666 9.506 -1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 96 29.274 10.548 -2.476 1.00 0.00 H new ATOM 822 N THR A 97 26.859 8.590 -2.242 1.00 0.00 N ATOM 823 CA THR A 97 25.436 8.468 -1.943 1.00 0.00 C ATOM 824 C THR A 97 25.087 7.082 -1.407 1.00 0.00 C ATOM 825 O THR A 97 25.526 6.065 -1.951 1.00 0.00 O ATOM 826 CB THR A 97 24.579 8.757 -3.203 1.00 0.00 C ATOM 827 OG1 THR A 97 24.735 10.131 -3.579 1.00 0.00 O ATOM 828 CG2 THR A 97 23.105 8.477 -2.939 1.00 0.00 C ATOM 0 H THR A 97 27.208 7.917 -2.924 1.00 0.00 H new ATOM 0 HA THR A 97 25.212 9.206 -1.173 1.00 0.00 H new ATOM 0 HB THR A 97 24.919 8.103 -4.006 1.00 0.00 H new ATOM 0 HG1 THR A 97 24.195 10.315 -4.376 1.00 0.00 H new ATOM 0 HG21 THR A 97 22.528 8.688 -3.839 1.00 0.00 H new ATOM 0 HG22 THR A 97 22.977 7.430 -2.663 1.00 0.00 H new ATOM 0 HG23 THR A 97 22.754 9.112 -2.126 1.00 0.00 H new ATOM 830 N LEU A 98 24.302 7.046 -0.333 1.00 0.00 N ATOM 831 CA LEU A 98 23.891 5.778 0.260 1.00 0.00 C ATOM 832 C LEU A 98 22.860 5.098 -0.625 1.00 0.00 C ATOM 833 O LEU A 98 21.844 5.697 -0.979 1.00 0.00 O ATOM 834 CB LEU A 98 23.275 6.001 1.643 1.00 0.00 C ATOM 835 CG LEU A 98 24.186 6.545 2.740 1.00 0.00 C ATOM 836 CD1 LEU A 98 23.357 6.852 3.977 1.00 0.00 C ATOM 837 CD2 LEU A 98 25.274 5.529 3.060 1.00 0.00 C ATOM 0 H LEU A 98 23.941 7.874 0.141 1.00 0.00 H new ATOM 0 HA LEU A 98 24.777 5.150 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 98 22.436 6.688 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 98 22.865 5.051 1.986 1.00 0.00 H new ATOM 0 HG LEU A 98 24.664 7.463 2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 98 24.005 7.241 4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 98 22.599 7.595 3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 98 22.872 5.940 4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 98 25.921 5.923 3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 98 24.816 4.600 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 98 25.865 5.335 2.165 1.00 0.00 H new ATOM 839 N LYS A 99 23.115 3.841 -0.968 1.00 0.00 N ATOM 840 CA LYS A 99 22.197 3.092 -1.813 1.00 0.00 C ATOM 841 C LYS A 99 22.088 1.641 -1.379 1.00 0.00 C ATOM 842 O LYS A 99 23.073 1.029 -0.964 1.00 0.00 O ATOM 843 CB LYS A 99 22.655 3.143 -3.272 1.00 0.00 C ATOM 844 CG LYS A 99 22.581 4.524 -3.898 1.00 0.00 C ATOM 845 CD LYS A 99 22.947 4.478 -5.370 1.00 0.00 C ATOM 846 CE LYS A 99 22.733 5.827 -6.028 1.00 0.00 C ATOM 847 NZ LYS A 99 21.310 6.263 -5.943 1.00 0.00 N ATOM 0 H LYS A 99 23.944 3.323 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 99 21.216 3.558 -1.714 1.00 0.00 H new ATOM 0 HB2 LYS A 99 23.682 2.784 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 99 22.043 2.457 -3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 99 21.574 4.925 -3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 99 23.255 5.201 -3.374 1.00 0.00 H new ATOM 0 HD2 LYS A 99 23.989 4.178 -5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 99 22.343 3.724 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 99 23.370 6.570 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 99 23.035 5.774 -7.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 21.134 7.011 -6.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.687 5.453 -6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.115 6.629 -4.989 1.00 0.00 H new ATOM 849 N TYR A 100 20.880 1.104 -1.473 1.00 0.00 N ATOM 850 CA TYR A 100 20.626 -0.285 -1.129 1.00 0.00 C ATOM 851 C TYR A 100 20.993 -1.162 -2.324 1.00 0.00 C ATOM 852 O TYR A 100 20.807 -0.767 -3.475 1.00 0.00 O ATOM 853 CB TYR A 100 19.143 -0.485 -0.803 1.00 0.00 C ATOM 854 CG TYR A 100 18.736 -1.936 -0.727 1.00 0.00 C ATOM 855 CD1 TYR A 100 18.930 -2.678 0.437 1.00 0.00 C ATOM 856 CD2 TYR A 100 18.206 -2.587 -1.841 1.00 0.00 C ATOM 857 CE1 TYR A 100 18.612 -4.033 0.488 1.00 0.00 C ATOM 858 CE2 TYR A 100 17.886 -3.939 -1.801 1.00 0.00 C ATOM 859 CZ TYR A 100 18.093 -4.656 -0.635 1.00 0.00 C ATOM 860 OH TYR A 100 17.799 -5.999 -0.602 1.00 0.00 O ATOM 0 H TYR A 100 20.055 1.615 -1.787 1.00 0.00 H new ATOM 0 HA TYR A 100 21.223 -0.556 -0.258 1.00 0.00 H new ATOM 0 HB2 TYR A 100 18.920 -0.002 0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 100 18.541 0.014 -1.563 1.00 0.00 H new ATOM 0 HD1 TYR A 100 19.334 -2.194 1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 100 18.041 -2.030 -2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 100 18.769 -4.594 1.397 1.00 0.00 H new ATOM 0 HE2 TYR A 100 17.478 -4.427 -2.674 1.00 0.00 H new ATOM 0 HH TYR A 100 17.399 -6.225 0.263 1.00 0.00 H new ATOM 862 N GLU A 101 21.523 -2.346 -2.044 1.00 0.00 N ATOM 863 CA GLU A 101 21.865 -3.289 -3.096 1.00 0.00 C ATOM 864 C GLU A 101 21.792 -4.702 -2.531 1.00 0.00 C ATOM 865 O GLU A 101 21.161 -5.576 -3.121 1.00 0.00 O ATOM 866 CB GLU A 101 23.266 -3.003 -3.646 1.00 0.00 C ATOM 867 CG GLU A 101 24.376 -3.102 -2.617 1.00 0.00 C ATOM 868 CD GLU A 101 25.753 -2.860 -3.209 1.00 0.00 C ATOM 869 OE1 GLU A 101 25.839 -2.387 -4.364 1.00 0.00 O ATOM 870 OE2 GLU A 101 26.749 -3.140 -2.514 1.00 0.00 O ATOM 871 OXT GLU A 101 22.372 -4.957 -1.478 1.00 0.00 O ATOM 0 H GLU A 101 21.724 -2.674 -1.099 1.00 0.00 H new ATOM 0 HA GLU A 101 21.158 -3.186 -3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 101 23.475 -3.702 -4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.276 -2.002 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 101 24.195 -2.377 -1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.352 -4.090 -2.158 1.00 0.00 H new TER 873 GLU A 101 ATOM 874 N LEU B 102 28.601 -7.023 -0.998 1.00 0.00 N ATOM 875 CA LEU B 102 27.592 -5.922 -1.033 1.00 0.00 C ATOM 876 C LEU B 102 27.730 -5.025 0.192 1.00 0.00 C ATOM 877 O LEU B 102 28.362 -5.406 1.177 1.00 0.00 O ATOM 878 CB LEU B 102 26.170 -6.495 -1.056 1.00 0.00 C ATOM 879 CG LEU B 102 25.735 -7.416 -2.197 1.00 0.00 C ATOM 880 CD1 LEU B 102 24.331 -7.937 -1.919 1.00 0.00 C ATOM 881 CD2 LEU B 102 25.768 -6.665 -3.515 1.00 0.00 C ATOM 0 HA LEU B 102 27.772 -5.340 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU B 102 26.026 -7.043 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU B 102 25.480 -5.651 -1.040 1.00 0.00 H new ATOM 0 HG LEU B 102 26.422 -8.259 -2.264 1.00 0.00 H new ATOM 0 HD11 LEU B 102 24.019 -8.594 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU B 102 24.328 -8.493 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU B 102 23.639 -7.098 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU B 102 25.457 -7.330 -4.321 1.00 0.00 H new ATOM 0 HD22 LEU B 102 25.090 -5.813 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU B 102 26.781 -6.312 -3.707 1.00 0.00 H new ATOM 882 N GLY B 103 27.131 -3.838 0.113 1.00 0.00 N ATOM 883 CA GLY B 103 27.141 -2.886 1.217 1.00 0.00 C ATOM 884 C GLY B 103 28.469 -2.249 1.575 1.00 0.00 C ATOM 885 O GLY B 103 29.138 -1.657 0.725 1.00 0.00 O ATOM 0 H GLY B 103 26.629 -3.513 -0.713 1.00 0.00 H new ATOM 0 HA2 GLY B 103 26.437 -2.088 0.980 1.00 0.00 H new ATOM 0 HA3 GLY B 103 26.761 -3.394 2.103 1.00 0.00 H new ATOM 887 N LYS B 104 28.821 -2.340 2.857 1.00 0.00 N ATOM 888 CA LYS B 104 30.079 -1.811 3.395 1.00 0.00 C ATOM 889 C LYS B 104 30.207 -0.289 3.426 1.00 0.00 C ATOM 890 O LYS B 104 31.320 0.237 3.475 1.00 0.00 O ATOM 891 CB LYS B 104 31.269 -2.388 2.617 1.00 0.00 C ATOM 892 CG LYS B 104 31.285 -3.904 2.526 1.00 0.00 C ATOM 893 CD LYS B 104 32.498 -4.384 1.743 1.00 0.00 C ATOM 894 CE LYS B 104 32.541 -5.898 1.660 1.00 0.00 C ATOM 895 NZ LYS B 104 33.745 -6.363 0.908 1.00 0.00 N ATOM 0 H LYS B 104 28.235 -2.788 3.562 1.00 0.00 H new ATOM 0 HA LYS B 104 30.077 -2.128 4.438 1.00 0.00 H new ATOM 0 HB2 LYS B 104 31.262 -1.976 1.608 1.00 0.00 H new ATOM 0 HB3 LYS B 104 32.193 -2.055 3.091 1.00 0.00 H new ATOM 0 HG2 LYS B 104 31.300 -4.333 3.528 1.00 0.00 H new ATOM 0 HG3 LYS B 104 30.373 -4.254 2.043 1.00 0.00 H new ATOM 0 HD2 LYS B 104 32.473 -3.964 0.738 1.00 0.00 H new ATOM 0 HD3 LYS B 104 33.408 -4.018 2.219 1.00 0.00 H new ATOM 0 HE2 LYS B 104 32.551 -6.320 2.665 1.00 0.00 H new ATOM 0 HE3 LYS B 104 31.639 -6.264 1.170 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 33.749 -7.402 0.867 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 33.721 -5.978 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 34.605 -6.033 1.391 1.00 0.00 H new ATOM 897 N PHE B 105 29.085 0.425 3.419 1.00 0.00 N ATOM 898 CA PHE B 105 29.132 1.887 3.430 1.00 0.00 C ATOM 899 C PHE B 105 29.943 2.477 4.587 1.00 0.00 C ATOM 900 O PHE B 105 30.636 3.477 4.410 1.00 0.00 O ATOM 901 CB PHE B 105 27.713 2.466 3.480 1.00 0.00 C ATOM 902 CG PHE B 105 27.132 2.528 4.867 1.00 0.00 C ATOM 903 CD1 PHE B 105 26.511 1.414 5.423 1.00 0.00 C ATOM 904 CD2 PHE B 105 27.258 3.683 5.640 1.00 0.00 C ATOM 905 CE1 PHE B 105 26.026 1.443 6.730 1.00 0.00 C ATOM 906 CE2 PHE B 105 26.776 3.723 6.947 1.00 0.00 C ATOM 907 CZ PHE B 105 26.160 2.601 7.495 1.00 0.00 C ATOM 0 H PHE B 105 28.147 0.026 3.406 1.00 0.00 H new ATOM 0 HA PHE B 105 29.638 2.167 2.506 1.00 0.00 H new ATOM 0 HB2 PHE B 105 27.725 3.470 3.056 1.00 0.00 H new ATOM 0 HB3 PHE B 105 27.061 1.861 2.850 1.00 0.00 H new ATOM 0 HD1 PHE B 105 26.403 0.515 4.834 1.00 0.00 H new ATOM 0 HD2 PHE B 105 27.735 4.556 5.220 1.00 0.00 H new ATOM 0 HE1 PHE B 105 25.547 0.570 7.149 1.00 0.00 H new ATOM 0 HE2 PHE B 105 26.880 4.623 7.534 1.00 0.00 H new ATOM 0 HZ PHE B 105 25.788 2.628 8.508 1.00 0.00 H new ATOM 909 N SER B 106 29.869 1.861 5.763 1.00 0.00 N ATOM 910 CA SER B 106 30.563 2.401 6.931 1.00 0.00 C ATOM 911 C SER B 106 32.060 2.626 6.761 1.00 0.00 C ATOM 912 O SER B 106 32.630 3.510 7.399 1.00 0.00 O ATOM 913 CB SER B 106 30.314 1.522 8.168 1.00 0.00 C ATOM 914 OG SER B 106 31.005 0.290 8.096 1.00 0.00 O ATOM 0 H SER B 106 29.346 1.002 5.933 1.00 0.00 H new ATOM 0 HA SER B 106 30.130 3.393 7.064 1.00 0.00 H new ATOM 0 HB2 SER B 106 30.627 2.060 9.063 1.00 0.00 H new ATOM 0 HB3 SER B 106 29.245 1.332 8.267 1.00 0.00 H new ATOM 0 HG SER B 106 30.408 -0.437 8.372 1.00 0.00 H new ATOM 916 N GLN B 107 32.697 1.850 5.894 1.00 0.00 N ATOM 917 CA GLN B 107 34.133 1.992 5.689 1.00 0.00 C ATOM 918 C GLN B 107 34.576 3.309 5.069 1.00 0.00 C ATOM 919 O GLN B 107 35.714 3.732 5.273 1.00 0.00 O ATOM 920 CB GLN B 107 34.656 0.836 4.837 1.00 0.00 C ATOM 921 CG GLN B 107 34.897 -0.432 5.630 1.00 0.00 C ATOM 922 CD GLN B 107 35.993 -0.249 6.657 1.00 0.00 C ATOM 923 OE1 GLN B 107 37.121 0.104 6.312 1.00 0.00 O ATOM 924 NE2 GLN B 107 35.669 -0.480 7.925 1.00 0.00 N ATOM 0 H GLN B 107 32.251 1.127 5.329 1.00 0.00 H new ATOM 0 HA GLN B 107 34.561 1.978 6.691 1.00 0.00 H new ATOM 0 HB2 GLN B 107 33.941 0.628 4.041 1.00 0.00 H new ATOM 0 HB3 GLN B 107 35.587 1.139 4.358 1.00 0.00 H new ATOM 0 HG2 GLN B 107 33.975 -0.729 6.130 1.00 0.00 H new ATOM 0 HG3 GLN B 107 35.166 -1.241 4.951 1.00 0.00 H new ATOM 0 HE21 GLN B 107 34.721 -0.771 8.164 1.00 0.00 H new ATOM 0 HE22 GLN B 107 36.368 -0.366 8.659 1.00 0.00 H new ATOM 926 N THR B 108 33.692 3.960 4.318 1.00 0.00 N ATOM 927 CA THR B 108 34.054 5.220 3.677 1.00 0.00 C ATOM 928 C THR B 108 33.100 6.375 3.966 1.00 0.00 C ATOM 929 O THR B 108 32.987 7.315 3.176 1.00 0.00 O ATOM 930 CB THR B 108 34.178 5.044 2.151 1.00 0.00 C ATOM 931 OG1 THR B 108 32.948 4.535 1.622 1.00 0.00 O ATOM 932 CG2 THR B 108 35.312 4.075 1.826 1.00 0.00 C ATOM 0 H THR B 108 32.739 3.644 4.141 1.00 0.00 H new ATOM 0 HA THR B 108 35.015 5.487 4.115 1.00 0.00 H new ATOM 0 HB THR B 108 34.395 6.012 1.700 1.00 0.00 H new ATOM 0 HG1 THR B 108 33.030 4.426 0.652 1.00 0.00 H new ATOM 0 HG21 THR B 108 35.392 3.957 0.745 1.00 0.00 H new ATOM 0 HG22 THR B 108 36.250 4.468 2.218 1.00 0.00 H new ATOM 0 HG23 THR B 108 35.105 3.107 2.282 1.00 0.00 H new ATOM 934 N CYS B 109 32.415 6.299 5.101 1.00 0.00 N ATOM 935 CA CYS B 109 31.488 7.347 5.507 1.00 0.00 C ATOM 936 C CYS B 109 31.733 7.654 6.983 1.00 0.00 C ATOM 937 O CYS B 109 32.425 6.897 7.677 1.00 0.00 O ATOM 938 CB CYS B 109 30.036 6.890 5.344 1.00 0.00 C ATOM 939 SG CYS B 109 29.520 6.257 3.713 1.00 0.00 S ATOM 0 H CYS B 109 32.485 5.521 5.757 1.00 0.00 H new ATOM 0 HA CYS B 109 31.651 8.225 4.882 1.00 0.00 H new ATOM 0 HB2 CYS B 109 29.846 6.110 6.081 1.00 0.00 H new ATOM 0 HB3 CYS B 109 29.390 7.731 5.596 1.00 0.00 H new ATOM 941 N TYR B 110 31.170 8.763 7.453 1.00 0.00 N ATOM 942 CA TYR B 110 31.293 9.159 8.853 1.00 0.00 C ATOM 943 C TYR B 110 30.083 10.007 9.241 1.00 0.00 C ATOM 944 O TYR B 110 29.303 10.411 8.379 1.00 0.00 O ATOM 945 CB TYR B 110 32.595 9.939 9.088 1.00 0.00 C ATOM 946 CG TYR B 110 32.605 11.354 8.550 1.00 0.00 C ATOM 947 CD1 TYR B 110 33.026 11.620 7.247 1.00 0.00 C ATOM 948 CD2 TYR B 110 32.203 12.428 9.344 1.00 0.00 C ATOM 949 CE1 TYR B 110 33.046 12.920 6.750 1.00 0.00 C ATOM 950 CE2 TYR B 110 32.222 13.733 8.853 1.00 0.00 C ATOM 951 CZ TYR B 110 32.646 13.971 7.554 1.00 0.00 C ATOM 952 OH TYR B 110 32.677 15.257 7.056 1.00 0.00 O ATOM 0 H TYR B 110 30.622 9.406 6.882 1.00 0.00 H new ATOM 0 HA TYR B 110 31.325 8.265 9.476 1.00 0.00 H new ATOM 0 HB2 TYR B 110 32.791 9.974 10.160 1.00 0.00 H new ATOM 0 HB3 TYR B 110 33.417 9.388 8.631 1.00 0.00 H new ATOM 0 HD1 TYR B 110 33.342 10.804 6.614 1.00 0.00 H new ATOM 0 HD2 TYR B 110 31.872 12.246 10.356 1.00 0.00 H new ATOM 0 HE1 TYR B 110 33.373 13.107 5.738 1.00 0.00 H new ATOM 0 HE2 TYR B 110 31.908 14.554 9.481 1.00 0.00 H new ATOM 0 HH TYR B 110 32.364 15.882 7.743 1.00 0.00 H new ATOM 954 N ASN B 111 29.928 10.265 10.538 1.00 0.00 N ATOM 955 CA ASN B 111 28.800 11.051 11.036 1.00 0.00 C ATOM 956 C ASN B 111 27.475 10.397 10.677 1.00 0.00 C ATOM 957 O ASN B 111 26.501 11.076 10.345 1.00 0.00 O ATOM 958 CB ASN B 111 28.840 12.482 10.484 1.00 0.00 C ATOM 959 CG ASN B 111 29.645 13.420 11.358 1.00 0.00 C ATOM 960 OD1 ASN B 111 30.061 13.057 12.459 1.00 0.00 O ATOM 961 ND2 ASN B 111 29.855 14.644 10.880 1.00 0.00 N ATOM 0 H ASN B 111 30.569 9.942 11.263 1.00 0.00 H new ATOM 0 HA ASN B 111 28.886 11.092 12.122 1.00 0.00 H new ATOM 0 HB2 ASN B 111 29.267 12.469 9.481 1.00 0.00 H new ATOM 0 HB3 ASN B 111 27.822 12.861 10.392 1.00 0.00 H new ATOM 0 HD21 ASN B 111 30.379 15.324 11.431 1.00 0.00 H new ATOM 0 HD22 ASN B 111 29.492 14.902 9.962 1.00 0.00 H new ATOM 963 N SER B 112 27.443 9.073 10.745 1.00 0.00 N ATOM 964 CA SER B 112 26.228 8.329 10.443 1.00 0.00 C ATOM 965 C SER B 112 25.261 8.434 11.605 1.00 0.00 C ATOM 966 O SER B 112 25.667 8.534 12.763 1.00 0.00 O ATOM 967 CB SER B 112 26.549 6.859 10.189 1.00 0.00 C ATOM 968 OG SER B 112 27.387 6.719 9.060 1.00 0.00 O ATOM 0 H SER B 112 28.241 8.494 11.006 1.00 0.00 H new ATOM 0 HA SER B 112 25.777 8.754 9.547 1.00 0.00 H new ATOM 0 HB2 SER B 112 27.036 6.431 11.065 1.00 0.00 H new ATOM 0 HB3 SER B 112 25.625 6.301 10.034 1.00 0.00 H new ATOM 0 HG SER B 112 27.712 5.796 9.006 1.00 0.00 H new ATOM 970 N ALA B 113 23.972 8.397 11.292 1.00 0.00 N ATOM 971 CA ALA B 113 22.954 8.484 12.319 1.00 0.00 C ATOM 972 C ALA B 113 21.653 7.875 11.842 1.00 0.00 C ATOM 973 O ALA B 113 21.369 7.832 10.645 1.00 0.00 O ATOM 974 CB ALA B 113 22.729 9.935 12.711 1.00 0.00 C ATOM 0 H ALA B 113 23.613 8.308 10.341 1.00 0.00 H new ATOM 0 HA ALA B 113 23.300 7.925 13.189 1.00 0.00 H new ATOM 0 HB1 ALA B 113 21.962 9.988 13.483 1.00 0.00 H new ATOM 0 HB2 ALA B 113 23.659 10.357 13.093 1.00 0.00 H new ATOM 0 HB3 ALA B 113 22.405 10.502 11.838 1.00 0.00 H new ATOM 976 N ILE B 114 20.869 7.395 12.800 1.00 0.00 N ATOM 977 CA ILE B 114 19.579 6.790 12.523 1.00 0.00 C ATOM 978 C ILE B 114 18.503 7.579 13.254 1.00 0.00 C ATOM 979 O ILE B 114 18.626 7.853 14.446 1.00 0.00 O ATOM 980 CB ILE B 114 19.525 5.320 13.013 1.00 0.00 C ATOM 981 CG1 ILE B 114 20.342 4.421 12.083 1.00 0.00 C ATOM 982 CG2 ILE B 114 18.079 4.840 13.091 1.00 0.00 C ATOM 983 CD1 ILE B 114 19.758 4.273 10.695 1.00 0.00 C ATOM 0 H ILE B 114 21.113 7.416 13.790 1.00 0.00 H new ATOM 0 HA ILE B 114 19.419 6.804 11.445 1.00 0.00 H new ATOM 0 HB ILE B 114 19.959 5.268 14.012 1.00 0.00 H new ATOM 0 HG12 ILE B 114 21.351 4.825 12.000 1.00 0.00 H new ATOM 0 HG13 ILE B 114 20.430 3.433 12.535 1.00 0.00 H new ATOM 0 HG21 ILE B 114 18.057 3.806 13.436 1.00 0.00 H new ATOM 0 HG22 ILE B 114 17.524 5.468 13.789 1.00 0.00 H new ATOM 0 HG23 ILE B 114 17.621 4.902 12.104 1.00 0.00 H new ATOM 0 HD11 ILE B 114 20.397 3.621 10.099 1.00 0.00 H new ATOM 0 HD12 ILE B 114 18.760 3.839 10.764 1.00 0.00 H new ATOM 0 HD13 ILE B 114 19.696 5.252 10.220 1.00 0.00 H new ATOM 985 N GLN B 115 17.459 7.957 12.527 1.00 0.00 N ATOM 986 CA GLN B 115 16.345 8.681 13.113 1.00 0.00 C ATOM 987 C GLN B 115 15.130 7.983 12.536 1.00 0.00 C ATOM 988 O GLN B 115 14.894 8.030 11.326 1.00 0.00 O ATOM 989 CB GLN B 115 16.368 10.151 12.694 1.00 0.00 C ATOM 990 CG GLN B 115 15.312 10.990 13.395 1.00 0.00 C ATOM 991 CD GLN B 115 15.497 11.029 14.902 1.00 0.00 C ATOM 992 OE1 GLN B 115 16.685 10.656 15.368 1.00 0.00 O flip ATOM 993 NE2 GLN B 115 14.583 11.399 15.637 1.00 0.00 N flip ATOM 0 H GLN B 115 17.363 7.772 11.528 1.00 0.00 H new ATOM 0 HA GLN B 115 16.365 8.679 14.203 1.00 0.00 H new ATOM 0 HB2 GLN B 115 17.353 10.567 12.906 1.00 0.00 H new ATOM 0 HB3 GLN B 115 16.219 10.217 11.616 1.00 0.00 H new ATOM 0 HG2 GLN B 115 15.343 12.007 13.003 1.00 0.00 H new ATOM 0 HG3 GLN B 115 14.325 10.590 13.165 1.00 0.00 H new ATOM 0 HE21 GLN B 115 13.687 11.677 15.236 1.00 0.00 H new ATOM 0 HE22 GLN B 115 14.721 11.428 16.647 1.00 0.00 H new ATOM 995 N GLY B 116 14.369 7.316 13.395 1.00 0.00 N ATOM 996 CA GLY B 116 13.213 6.587 12.912 1.00 0.00 C ATOM 997 C GLY B 116 13.707 5.464 12.024 1.00 0.00 C ATOM 998 O GLY B 116 14.460 4.596 12.468 1.00 0.00 O ATOM 0 H GLY B 116 14.528 7.267 14.401 1.00 0.00 H new ATOM 0 HA2 GLY B 116 12.638 6.188 13.747 1.00 0.00 H new ATOM 0 HA3 GLY B 116 12.550 7.249 12.356 1.00 0.00 H new ATOM 1000 N SER B 117 13.307 5.483 10.757 1.00 0.00 N ATOM 1001 CA SER B 117 13.730 4.453 9.818 1.00 0.00 C ATOM 1002 C SER B 117 14.764 4.988 8.834 1.00 0.00 C ATOM 1003 O SER B 117 15.203 4.263 7.943 1.00 0.00 O ATOM 1004 CB SER B 117 12.527 3.932 9.034 1.00 0.00 C ATOM 1005 OG SER B 117 11.969 4.965 8.240 1.00 0.00 O ATOM 0 H SER B 117 12.695 6.195 10.360 1.00 0.00 H new ATOM 0 HA SER B 117 14.180 3.646 10.397 1.00 0.00 H new ATOM 0 HB2 SER B 117 12.832 3.101 8.398 1.00 0.00 H new ATOM 0 HB3 SER B 117 11.775 3.548 9.723 1.00 0.00 H new ATOM 0 HG SER B 117 12.035 4.721 7.293 1.00 0.00 H new ATOM 1007 N VAL B 118 15.162 6.245 9.004 1.00 0.00 N ATOM 1008 CA VAL B 118 16.111 6.863 8.086 1.00 0.00 C ATOM 1009 C VAL B 118 17.564 6.919 8.541 1.00 0.00 C ATOM 1010 O VAL B 118 17.873 7.397 9.633 1.00 0.00 O ATOM 1011 CB VAL B 118 15.671 8.303 7.732 1.00 0.00 C ATOM 1012 CG1 VAL B 118 16.602 8.898 6.685 1.00 0.00 C ATOM 1013 CG2 VAL B 118 14.238 8.296 7.230 1.00 0.00 C ATOM 0 H VAL B 118 14.845 6.850 9.762 1.00 0.00 H new ATOM 0 HA VAL B 118 16.089 6.194 7.226 1.00 0.00 H new ATOM 0 HB VAL B 118 15.725 8.921 8.628 1.00 0.00 H new ATOM 0 HG11 VAL B 118 16.280 9.912 6.446 1.00 0.00 H new ATOM 0 HG12 VAL B 118 17.620 8.923 7.075 1.00 0.00 H new ATOM 0 HG13 VAL B 118 16.574 8.286 5.783 1.00 0.00 H new ATOM 0 HG21 VAL B 118 13.934 9.313 6.982 1.00 0.00 H new ATOM 0 HG22 VAL B 118 14.167 7.670 6.341 1.00 0.00 H new ATOM 0 HG23 VAL B 118 13.583 7.900 8.006 1.00 0.00 H new ATOM 1015 N LEU B 119 18.449 6.429 7.679 1.00 0.00 N ATOM 1016 CA LEU B 119 19.885 6.442 7.925 1.00 0.00 C ATOM 1017 C LEU B 119 20.453 7.608 7.133 1.00 0.00 C ATOM 1018 O LEU B 119 20.158 7.757 5.948 1.00 0.00 O ATOM 1019 CB LEU B 119 20.536 5.148 7.426 1.00 0.00 C ATOM 1020 CG LEU B 119 22.068 5.158 7.318 1.00 0.00 C ATOM 1021 CD1 LEU B 119 22.692 5.142 8.712 1.00 0.00 C ATOM 1022 CD2 LEU B 119 22.533 3.949 6.513 1.00 0.00 C ATOM 0 H LEU B 119 18.188 6.010 6.786 1.00 0.00 H new ATOM 0 HA LEU B 119 20.082 6.533 8.993 1.00 0.00 H new ATOM 0 HB2 LEU B 119 20.245 4.338 8.095 1.00 0.00 H new ATOM 0 HB3 LEU B 119 20.125 4.914 6.444 1.00 0.00 H new ATOM 0 HG LEU B 119 22.387 6.067 6.807 1.00 0.00 H new ATOM 0 HD11 LEU B 119 23.778 5.149 8.624 1.00 0.00 H new ATOM 0 HD12 LEU B 119 22.367 6.022 9.266 1.00 0.00 H new ATOM 0 HD13 LEU B 119 22.377 4.243 9.241 1.00 0.00 H new ATOM 0 HD21 LEU B 119 23.620 3.958 6.438 1.00 0.00 H new ATOM 0 HD22 LEU B 119 22.212 3.034 7.011 1.00 0.00 H new ATOM 0 HD23 LEU B 119 22.100 3.989 5.514 1.00 0.00 H new ATOM 1024 N THR B 120 21.262 8.432 7.790 1.00 0.00 N ATOM 1025 CA THR B 120 21.902 9.569 7.143 1.00 0.00 C ATOM 1026 C THR B 120 23.392 9.431 7.402 1.00 0.00 C ATOM 1027 O THR B 120 23.802 9.024 8.490 1.00 0.00 O ATOM 1028 CB THR B 120 21.409 10.908 7.733 1.00 0.00 C ATOM 1029 OG1 THR B 120 19.997 11.038 7.515 1.00 0.00 O ATOM 1030 CG2 THR B 120 22.129 12.079 7.076 1.00 0.00 C ATOM 0 H THR B 120 21.491 8.331 8.779 1.00 0.00 H new ATOM 0 HA THR B 120 21.665 9.574 6.079 1.00 0.00 H new ATOM 0 HB THR B 120 21.622 10.917 8.802 1.00 0.00 H new ATOM 0 HG1 THR B 120 19.828 11.224 6.568 1.00 0.00 H new ATOM 0 HG21 THR B 120 21.769 13.014 7.504 1.00 0.00 H new ATOM 0 HG22 THR B 120 23.201 11.990 7.249 1.00 0.00 H new ATOM 0 HG23 THR B 120 21.933 12.072 6.004 1.00 0.00 H new ATOM 1032 N SER B 121 24.210 9.741 6.405 1.00 0.00 N ATOM 1033 CA SER B 121 25.654 9.644 6.577 1.00 0.00 C ATOM 1034 C SER B 121 26.385 10.534 5.583 1.00 0.00 C ATOM 1035 O SER B 121 25.837 10.896 4.538 1.00 0.00 O ATOM 1036 CB SER B 121 26.116 8.194 6.407 1.00 0.00 C ATOM 1037 OG SER B 121 27.479 8.050 6.770 1.00 0.00 O ATOM 0 H SER B 121 23.906 10.057 5.484 1.00 0.00 H new ATOM 0 HA SER B 121 25.892 9.982 7.586 1.00 0.00 H new ATOM 0 HB2 SER B 121 25.501 7.538 7.022 1.00 0.00 H new ATOM 0 HB3 SER B 121 25.977 7.883 5.372 1.00 0.00 H new ATOM 0 HG SER B 121 27.570 7.317 7.415 1.00 0.00 H new ATOM 1039 N THR B 122 27.619 10.894 5.920 1.00 0.00 N ATOM 1040 CA THR B 122 28.448 11.730 5.056 1.00 0.00 C ATOM 1041 C THR B 122 29.497 10.791 4.475 1.00 0.00 C ATOM 1042 O THR B 122 30.322 10.236 5.201 1.00 0.00 O ATOM 1043 CB THR B 122 29.093 12.868 5.860 1.00 0.00 C ATOM 1044 OG1 THR B 122 28.052 13.693 6.404 1.00 0.00 O ATOM 1045 CG2 THR B 122 29.985 13.722 4.970 1.00 0.00 C ATOM 0 H THR B 122 28.071 10.618 6.792 1.00 0.00 H new ATOM 0 HA THR B 122 27.867 12.211 4.269 1.00 0.00 H new ATOM 0 HB THR B 122 29.703 12.438 6.655 1.00 0.00 H new ATOM 0 HG1 THR B 122 27.616 14.189 5.680 1.00 0.00 H new ATOM 0 HG21 THR B 122 30.431 14.522 5.562 1.00 0.00 H new ATOM 0 HG22 THR B 122 30.774 13.102 4.544 1.00 0.00 H new ATOM 0 HG23 THR B 122 29.390 14.154 4.166 1.00 0.00 H new ATOM 1047 N CYS B 123 29.458 10.625 3.158 1.00 0.00 N ATOM 1048 CA CYS B 123 30.340 9.680 2.492 1.00 0.00 C ATOM 1049 C CYS B 123 31.317 10.235 1.468 1.00 0.00 C ATOM 1050 O CYS B 123 31.051 11.238 0.807 1.00 0.00 O ATOM 1051 CB CYS B 123 29.480 8.613 1.826 1.00 0.00 C ATOM 1052 SG CYS B 123 28.345 7.720 2.939 1.00 0.00 S ATOM 0 H CYS B 123 28.828 11.130 2.535 1.00 0.00 H new ATOM 0 HA CYS B 123 30.982 9.297 3.285 1.00 0.00 H new ATOM 0 HB2 CYS B 123 28.893 9.083 1.037 1.00 0.00 H new ATOM 0 HB3 CYS B 123 30.137 7.888 1.346 1.00 0.00 H new ATOM 1054 N GLU B 124 32.443 9.542 1.325 1.00 0.00 N ATOM 1055 CA GLU B 124 33.489 9.933 0.391 1.00 0.00 C ATOM 1056 C GLU B 124 33.103 9.680 -1.055 1.00 0.00 C ATOM 1057 O GLU B 124 32.559 8.627 -1.385 1.00 0.00 O ATOM 1058 CB GLU B 124 34.770 9.146 0.666 1.00 0.00 C ATOM 1059 CG GLU B 124 35.378 9.337 2.032 1.00 0.00 C ATOM 1060 CD GLU B 124 36.602 8.463 2.230 1.00 0.00 C ATOM 1061 OE1 GLU B 124 36.921 7.667 1.319 1.00 0.00 O ATOM 1062 OE2 GLU B 124 37.242 8.569 3.297 1.00 0.00 O ATOM 0 H GLU B 124 32.654 8.695 1.853 1.00 0.00 H new ATOM 0 HA GLU B 124 33.641 11.002 0.539 1.00 0.00 H new ATOM 0 HB2 GLU B 124 34.559 8.086 0.528 1.00 0.00 H new ATOM 0 HB3 GLU B 124 35.512 9.423 -0.083 1.00 0.00 H new ATOM 0 HG2 GLU B 124 35.653 10.383 2.165 1.00 0.00 H new ATOM 0 HG3 GLU B 124 34.637 9.103 2.796 1.00 0.00 H new ATOM 1064 N ARG B 125 33.396 10.648 -1.916 1.00 0.00 N ATOM 1065 CA ARG B 125 33.132 10.493 -3.340 1.00 0.00 C ATOM 1066 C ARG B 125 34.417 9.953 -3.966 1.00 0.00 C ATOM 1067 O ARG B 125 35.490 10.039 -3.366 1.00 0.00 O ATOM 1068 CB ARG B 125 32.773 11.835 -3.979 1.00 0.00 C ATOM 1069 CG ARG B 125 31.505 12.469 -3.438 1.00 0.00 C ATOM 1070 CD ARG B 125 30.930 13.446 -4.446 1.00 0.00 C ATOM 1071 NE ARG B 125 30.542 12.761 -5.677 1.00 0.00 N ATOM 1072 CZ ARG B 125 30.101 13.375 -6.771 1.00 0.00 C ATOM 1073 NH1 ARG B 125 29.994 14.696 -6.797 1.00 0.00 N ATOM 1074 NH2 ARG B 125 29.772 12.666 -7.843 1.00 0.00 N ATOM 0 H ARG B 125 33.813 11.541 -1.655 1.00 0.00 H new ATOM 0 HA ARG B 125 32.290 9.819 -3.500 1.00 0.00 H new ATOM 0 HB2 ARG B 125 33.602 12.527 -3.831 1.00 0.00 H new ATOM 0 HB3 ARG B 125 32.664 11.694 -5.054 1.00 0.00 H new ATOM 0 HG2 ARG B 125 30.771 11.695 -3.213 1.00 0.00 H new ATOM 0 HG3 ARG B 125 31.720 12.986 -2.503 1.00 0.00 H new ATOM 0 HD2 ARG B 125 30.063 13.949 -4.017 1.00 0.00 H new ATOM 0 HD3 ARG B 125 31.667 14.217 -4.671 1.00 0.00 H new ATOM 0 HE ARG B 125 30.614 11.744 -5.699 1.00 0.00 H new ATOM 0 HH11 ARG B 125 30.250 15.245 -5.976 1.00 0.00 H new ATOM 0 HH12 ARG B 125 29.655 15.164 -7.638 1.00 0.00 H new ATOM 0 HH21 ARG B 125 29.857 11.650 -7.828 1.00 0.00 H new ATOM 0 HH22 ARG B 125 29.434 13.137 -8.682 1.00 0.00 H new ATOM 1076 N THR B 126 34.311 9.401 -5.167 1.00 0.00 N ATOM 1077 CA THR B 126 35.474 8.857 -5.856 1.00 0.00 C ATOM 1078 C THR B 126 36.543 9.925 -6.095 1.00 0.00 C ATOM 1079 O THR B 126 37.707 9.743 -5.739 1.00 0.00 O ATOM 1080 CB THR B 126 35.081 8.255 -7.218 1.00 0.00 C ATOM 1081 OG1 THR B 126 34.110 7.223 -7.019 1.00 0.00 O ATOM 1082 CG2 THR B 126 36.298 7.671 -7.916 1.00 0.00 C ATOM 0 H THR B 126 33.435 9.318 -5.683 1.00 0.00 H new ATOM 0 HA THR B 126 35.879 8.080 -5.208 1.00 0.00 H new ATOM 0 HB THR B 126 34.664 9.045 -7.842 1.00 0.00 H new ATOM 0 HG1 THR B 126 33.858 6.840 -7.885 1.00 0.00 H new ATOM 0 HG21 THR B 126 36.000 7.251 -8.876 1.00 0.00 H new ATOM 0 HG22 THR B 126 37.037 8.456 -8.077 1.00 0.00 H new ATOM 0 HG23 THR B 126 36.732 6.887 -7.296 1.00 0.00 H new ATOM 1084 N ASN B 127 36.132 11.037 -6.697 1.00 0.00 N ATOM 1085 CA ASN B 127 37.036 12.141 -7.017 1.00 0.00 C ATOM 1086 C ASN B 127 37.458 12.929 -5.783 1.00 0.00 C ATOM 1087 O ASN B 127 38.065 13.995 -5.894 1.00 0.00 O ATOM 1088 CB ASN B 127 36.359 13.080 -8.021 1.00 0.00 C ATOM 1089 CG ASN B 127 37.214 14.283 -8.366 1.00 0.00 C ATOM 1090 OD1 ASN B 127 38.328 14.144 -8.873 1.00 0.00 O ATOM 1091 ND2 ASN B 127 36.696 15.476 -8.095 1.00 0.00 N ATOM 0 H ASN B 127 35.165 11.200 -6.977 1.00 0.00 H new ATOM 0 HA ASN B 127 37.939 11.709 -7.448 1.00 0.00 H new ATOM 0 HB2 ASN B 127 36.132 12.527 -8.933 1.00 0.00 H new ATOM 0 HB3 ASN B 127 35.409 13.421 -7.610 1.00 0.00 H new ATOM 0 HD21 ASN B 127 37.225 16.322 -8.307 1.00 0.00 H new ATOM 0 HD22 ASN B 127 35.769 15.546 -7.675 1.00 0.00 H new ATOM 1093 N GLY B 128 37.153 12.393 -4.608 1.00 0.00 N ATOM 1094 CA GLY B 128 37.499 13.083 -3.383 1.00 0.00 C ATOM 1095 C GLY B 128 36.329 13.950 -2.974 1.00 0.00 C ATOM 1096 O GLY B 128 35.395 14.148 -3.751 1.00 0.00 O ATOM 0 H GLY B 128 36.676 11.500 -4.483 1.00 0.00 H new ATOM 0 HA2 GLY B 128 37.732 12.365 -2.597 1.00 0.00 H new ATOM 0 HA3 GLY B 128 38.390 13.694 -3.531 1.00 0.00 H new ATOM 1098 N GLY B 129 36.372 14.479 -1.761 1.00 0.00 N ATOM 1099 CA GLY B 129 35.272 15.303 -1.301 1.00 0.00 C ATOM 1100 C GLY B 129 34.205 14.414 -0.701 1.00 0.00 C ATOM 1101 O GLY B 129 34.322 13.187 -0.736 1.00 0.00 O ATOM 0 H GLY B 129 37.135 14.356 -1.095 1.00 0.00 H new ATOM 0 HA2 GLY B 129 35.624 16.021 -0.560 1.00 0.00 H new ATOM 0 HA3 GLY B 129 34.860 15.878 -2.131 1.00 0.00 H new ATOM 1103 N TYR B 130 33.158 15.026 -0.159 1.00 0.00 N ATOM 1104 CA TYR B 130 32.090 14.262 0.469 1.00 0.00 C ATOM 1105 C TYR B 130 30.697 14.703 0.065 1.00 0.00 C ATOM 1106 O TYR B 130 30.503 15.766 -0.522 1.00 0.00 O ATOM 1107 CB TYR B 130 32.193 14.362 1.990 1.00 0.00 C ATOM 1108 CG TYR B 130 33.546 14.001 2.539 1.00 0.00 C ATOM 1109 CD1 TYR B 130 34.606 14.904 2.477 1.00 0.00 C ATOM 1110 CD2 TYR B 130 33.777 12.748 3.101 1.00 0.00 C ATOM 1111 CE1 TYR B 130 35.862 14.568 2.963 1.00 0.00 C ATOM 1112 CE2 TYR B 130 35.034 12.403 3.588 1.00 0.00 C ATOM 1113 CZ TYR B 130 36.068 13.318 3.516 1.00 0.00 C ATOM 1114 OH TYR B 130 37.312 12.986 3.997 1.00 0.00 O ATOM 0 H TYR B 130 33.027 16.037 -0.142 1.00 0.00 H new ATOM 0 HA TYR B 130 32.227 13.237 0.123 1.00 0.00 H new ATOM 0 HB2 TYR B 130 31.949 15.380 2.294 1.00 0.00 H new ATOM 0 HB3 TYR B 130 31.445 13.708 2.438 1.00 0.00 H new ATOM 0 HD1 TYR B 130 34.448 15.881 2.044 1.00 0.00 H new ATOM 0 HD2 TYR B 130 32.969 12.034 3.160 1.00 0.00 H new ATOM 0 HE1 TYR B 130 36.673 15.279 2.909 1.00 0.00 H new ATOM 0 HE2 TYR B 130 35.201 11.427 4.019 1.00 0.00 H new ATOM 0 HH TYR B 130 37.292 12.074 4.354 1.00 0.00 H new ATOM 1116 N ASN B 131 29.732 13.857 0.395 1.00 0.00 N ATOM 1117 CA ASN B 131 28.333 14.134 0.137 1.00 0.00 C ATOM 1118 C ASN B 131 27.529 13.512 1.261 1.00 0.00 C ATOM 1119 O ASN B 131 27.821 12.402 1.705 1.00 0.00 O ATOM 1120 CB ASN B 131 27.868 13.534 -1.187 1.00 0.00 C ATOM 1121 CG ASN B 131 26.388 13.764 -1.426 1.00 0.00 C ATOM 1122 OD1 ASN B 131 25.939 14.904 -1.526 1.00 0.00 O ATOM 1123 ND2 ASN B 131 25.622 12.683 -1.503 1.00 0.00 N ATOM 0 H ASN B 131 29.901 12.959 0.849 1.00 0.00 H new ATOM 0 HA ASN B 131 28.192 15.213 0.080 1.00 0.00 H new ATOM 0 HB2 ASN B 131 28.440 13.973 -2.005 1.00 0.00 H new ATOM 0 HB3 ASN B 131 28.074 12.464 -1.192 1.00 0.00 H new ATOM 0 HD21 ASN B 131 24.617 12.779 -1.651 1.00 0.00 H new ATOM 0 HD22 ASN B 131 26.038 11.756 -1.414 1.00 0.00 H new ATOM 1125 N THR B 132 26.521 14.234 1.729 1.00 0.00 N ATOM 1126 CA THR B 132 25.669 13.727 2.790 1.00 0.00 C ATOM 1127 C THR B 132 24.377 13.276 2.129 1.00 0.00 C ATOM 1128 O THR B 132 23.828 13.977 1.280 1.00 0.00 O ATOM 1129 CB THR B 132 25.381 14.818 3.835 1.00 0.00 C ATOM 1130 OG1 THR B 132 26.620 15.254 4.414 1.00 0.00 O ATOM 1131 CG2 THR B 132 24.479 14.277 4.939 1.00 0.00 C ATOM 0 H THR B 132 26.276 15.165 1.393 1.00 0.00 H new ATOM 0 HA THR B 132 26.155 12.905 3.315 1.00 0.00 H new ATOM 0 HB THR B 132 24.878 15.651 3.344 1.00 0.00 H new ATOM 0 HG1 THR B 132 26.443 15.951 5.080 1.00 0.00 H new ATOM 0 HG21 THR B 132 24.286 15.063 5.669 1.00 0.00 H new ATOM 0 HG22 THR B 132 23.535 13.943 4.507 1.00 0.00 H new ATOM 0 HG23 THR B 132 24.970 13.437 5.431 1.00 0.00 H new ATOM 1133 N SER B 133 23.907 12.093 2.494 1.00 0.00 N ATOM 1134 CA SER B 133 22.684 11.565 1.914 1.00 0.00 C ATOM 1135 C SER B 133 21.930 10.737 2.935 1.00 0.00 C ATOM 1136 O SER B 133 22.461 10.395 3.991 1.00 0.00 O ATOM 1137 CB SER B 133 22.998 10.707 0.681 1.00 0.00 C ATOM 1138 OG SER B 133 23.704 9.525 1.029 1.00 0.00 O ATOM 0 H SER B 133 24.350 11.486 3.183 1.00 0.00 H new ATOM 0 HA SER B 133 22.062 12.406 1.609 1.00 0.00 H new ATOM 0 HB2 SER B 133 22.069 10.441 0.177 1.00 0.00 H new ATOM 0 HB3 SER B 133 23.589 11.289 -0.026 1.00 0.00 H new ATOM 0 HG SER B 133 23.079 8.868 1.400 1.00 0.00 H new ATOM 1140 N SER B 134 20.688 10.410 2.604 1.00 0.00 N ATOM 1141 CA SER B 134 19.844 9.625 3.486 1.00 0.00 C ATOM 1142 C SER B 134 19.178 8.496 2.724 1.00 0.00 C ATOM 1143 O SER B 134 19.065 8.531 1.497 1.00 0.00 O ATOM 1144 CB SER B 134 18.763 10.512 4.110 1.00 0.00 C ATOM 1145 OG SER B 134 19.327 11.565 4.871 1.00 0.00 O ATOM 0 H SER B 134 20.244 10.679 1.726 1.00 0.00 H new ATOM 0 HA SER B 134 20.474 9.206 4.271 1.00 0.00 H new ATOM 0 HB2 SER B 134 18.134 10.928 3.323 1.00 0.00 H new ATOM 0 HB3 SER B 134 18.118 9.907 4.747 1.00 0.00 H new ATOM 0 HG SER B 134 18.610 12.112 5.254 1.00 0.00 H new ATOM 1147 N ILE B 135 18.739 7.492 3.466 1.00 0.00 N ATOM 1148 CA ILE B 135 18.047 6.362 2.875 1.00 0.00 C ATOM 1149 C ILE B 135 17.025 5.852 3.882 1.00 0.00 C ATOM 1150 O ILE B 135 17.340 5.650 5.058 1.00 0.00 O ATOM 1151 CB ILE B 135 19.037 5.235 2.469 1.00 0.00 C ATOM 1152 CG1 ILE B 135 18.291 4.157 1.681 1.00 0.00 C ATOM 1153 CG2 ILE B 135 19.713 4.631 3.699 1.00 0.00 C ATOM 1154 CD1 ILE B 135 19.195 3.104 1.072 1.00 0.00 C ATOM 0 H ILE B 135 18.850 7.438 4.478 1.00 0.00 H new ATOM 0 HA ILE B 135 17.546 6.680 1.961 1.00 0.00 H new ATOM 0 HB ILE B 135 19.817 5.663 1.839 1.00 0.00 H new ATOM 0 HG12 ILE B 135 17.575 3.669 2.342 1.00 0.00 H new ATOM 0 HG13 ILE B 135 17.718 4.634 0.886 1.00 0.00 H new ATOM 0 HG21 ILE B 135 20.401 3.845 3.387 1.00 0.00 H new ATOM 0 HG22 ILE B 135 20.265 5.407 4.229 1.00 0.00 H new ATOM 0 HG23 ILE B 135 18.956 4.209 4.360 1.00 0.00 H new ATOM 0 HD11 ILE B 135 18.592 2.376 0.530 1.00 0.00 H new ATOM 0 HD12 ILE B 135 19.895 3.579 0.385 1.00 0.00 H new ATOM 0 HD13 ILE B 135 19.749 2.599 1.863 1.00 0.00 H new ATOM 1156 N ASP B 136 15.787 5.687 3.422 1.00 0.00 N ATOM 1157 CA ASP B 136 14.707 5.203 4.268 1.00 0.00 C ATOM 1158 C ASP B 136 14.722 3.679 4.233 1.00 0.00 C ATOM 1159 O ASP B 136 14.440 3.066 3.202 1.00 0.00 O ATOM 1160 CB ASP B 136 13.363 5.723 3.761 1.00 0.00 C ATOM 1161 CG ASP B 136 12.254 5.531 4.768 1.00 0.00 C ATOM 1162 OD1 ASP B 136 12.312 4.545 5.529 1.00 0.00 O ATOM 1163 OD2 ASP B 136 11.318 6.356 4.791 1.00 0.00 O ATOM 0 H ASP B 136 15.509 5.884 2.461 1.00 0.00 H new ATOM 0 HA ASP B 136 14.846 5.559 5.289 1.00 0.00 H new ATOM 0 HB2 ASP B 136 13.453 6.783 3.522 1.00 0.00 H new ATOM 0 HB3 ASP B 136 13.103 5.208 2.836 1.00 0.00 H new ATOM 1165 N LEU B 137 15.043 3.076 5.371 1.00 0.00 N ATOM 1166 CA LEU B 137 15.138 1.625 5.481 1.00 0.00 C ATOM 1167 C LEU B 137 13.809 0.892 5.613 1.00 0.00 C ATOM 1168 O LEU B 137 13.782 -0.337 5.597 1.00 0.00 O ATOM 1169 CB LEU B 137 16.030 1.265 6.668 1.00 0.00 C ATOM 1170 CG LEU B 137 17.443 1.852 6.633 1.00 0.00 C ATOM 1171 CD1 LEU B 137 18.085 1.685 7.997 1.00 0.00 C ATOM 1172 CD2 LEU B 137 18.265 1.169 5.546 1.00 0.00 C ATOM 0 H LEU B 137 15.244 3.574 6.238 1.00 0.00 H new ATOM 0 HA LEU B 137 15.563 1.291 4.534 1.00 0.00 H new ATOM 0 HB2 LEU B 137 15.540 1.598 7.583 1.00 0.00 H new ATOM 0 HB3 LEU B 137 16.108 0.179 6.725 1.00 0.00 H new ATOM 0 HG LEU B 137 17.399 2.915 6.397 1.00 0.00 H new ATOM 0 HD11 LEU B 137 19.092 2.101 7.979 1.00 0.00 H new ATOM 0 HD12 LEU B 137 17.490 2.208 8.746 1.00 0.00 H new ATOM 0 HD13 LEU B 137 18.135 0.626 8.248 1.00 0.00 H new ATOM 0 HD21 LEU B 137 19.269 1.593 5.528 1.00 0.00 H new ATOM 0 HD22 LEU B 137 18.326 0.101 5.753 1.00 0.00 H new ATOM 0 HD23 LEU B 137 17.789 1.324 4.578 1.00 0.00 H new ATOM 1174 N ASN B 138 12.786 1.608 6.087 1.00 0.00 N ATOM 1175 CA ASN B 138 11.446 1.029 6.340 1.00 0.00 C ATOM 1176 C ASN B 138 11.046 0.022 5.258 1.00 0.00 C ATOM 1177 O ASN B 138 10.522 -1.053 5.527 1.00 0.00 O ATOM 1178 CB ASN B 138 10.406 2.140 6.305 1.00 0.00 C ATOM 1179 CG ASN B 138 9.754 2.394 7.653 1.00 0.00 C ATOM 1180 OD1 ASN B 138 9.728 1.586 8.577 1.00 0.00 O ATOM 1181 ND2 ASN B 138 9.192 3.572 7.737 1.00 0.00 N ATOM 0 H ASN B 138 12.853 2.601 6.308 1.00 0.00 H new ATOM 0 HA ASN B 138 11.489 0.531 7.309 1.00 0.00 H new ATOM 0 HB2 ASN B 138 10.878 3.059 5.958 1.00 0.00 H new ATOM 0 HB3 ASN B 138 9.635 1.884 5.578 1.00 0.00 H new ATOM 0 HD21 ASN B 138 8.710 3.847 8.593 1.00 0.00 H new ATOM 0 HD22 ASN B 138 9.236 4.215 6.947 1.00 0.00 H new ATOM 1183 N SER B 139 11.389 0.444 4.047 1.00 0.00 N ATOM 1184 CA SER B 139 11.242 -0.304 2.800 1.00 0.00 C ATOM 1185 C SER B 139 12.229 -1.427 2.517 1.00 0.00 C ATOM 1186 O SER B 139 12.047 -2.067 1.491 1.00 0.00 O ATOM 1187 CB SER B 139 11.124 0.720 1.664 1.00 0.00 C ATOM 1188 OG SER B 139 12.038 1.812 1.793 1.00 0.00 O ATOM 0 H SER B 139 11.799 1.366 3.898 1.00 0.00 H new ATOM 0 HA SER B 139 10.335 -0.900 2.899 1.00 0.00 H new ATOM 0 HB2 SER B 139 11.299 0.219 0.712 1.00 0.00 H new ATOM 0 HB3 SER B 139 10.106 1.108 1.638 1.00 0.00 H new ATOM 0 HG SER B 139 12.796 1.678 1.186 1.00 0.00 H new ATOM 1190 N VAL B 140 13.279 -1.571 3.337 1.00 0.00 N ATOM 1191 CA VAL B 140 14.295 -2.640 3.280 1.00 0.00 C ATOM 1192 C VAL B 140 14.062 -3.763 4.290 1.00 0.00 C ATOM 1193 O VAL B 140 14.490 -4.898 4.079 1.00 0.00 O ATOM 1194 CB VAL B 140 15.762 -2.302 3.611 1.00 0.00 C ATOM 1195 CG1 VAL B 140 16.638 -3.184 2.743 1.00 0.00 C ATOM 1196 CG2 VAL B 140 16.209 -0.853 3.607 1.00 0.00 C ATOM 0 H VAL B 140 13.455 -0.914 4.097 1.00 0.00 H new ATOM 0 HA VAL B 140 14.167 -2.881 2.225 1.00 0.00 H new ATOM 0 HB VAL B 140 15.869 -2.510 4.676 1.00 0.00 H new ATOM 0 HG11 VAL B 140 17.687 -2.972 2.951 1.00 0.00 H new ATOM 0 HG12 VAL B 140 16.429 -4.231 2.961 1.00 0.00 H new ATOM 0 HG13 VAL B 140 16.428 -2.984 1.692 1.00 0.00 H new ATOM 0 HG21 VAL B 140 17.268 -0.798 3.861 1.00 0.00 H new ATOM 0 HG22 VAL B 140 16.050 -0.426 2.617 1.00 0.00 H new ATOM 0 HG23 VAL B 140 15.631 -0.292 4.341 1.00 0.00 H new ATOM 1198 N ILE B 141 13.959 -3.257 5.498 1.00 0.00 N ATOM 1199 CA ILE B 141 14.099 -4.086 6.692 1.00 0.00 C ATOM 1200 C ILE B 141 12.680 -4.286 7.176 1.00 0.00 C ATOM 1201 O ILE B 141 11.804 -3.432 7.048 1.00 0.00 O ATOM 1202 CB ILE B 141 15.045 -3.398 7.688 1.00 0.00 C ATOM 1203 CG1 ILE B 141 16.453 -3.371 7.078 1.00 0.00 C ATOM 1204 CG2 ILE B 141 15.087 -4.136 9.033 1.00 0.00 C ATOM 1205 CD1 ILE B 141 17.341 -2.271 7.656 1.00 0.00 C ATOM 0 H ILE B 141 13.778 -2.271 5.689 1.00 0.00 H new ATOM 0 HA ILE B 141 14.560 -5.060 6.526 1.00 0.00 H new ATOM 0 HB ILE B 141 14.680 -2.388 7.876 1.00 0.00 H new ATOM 0 HG12 ILE B 141 16.931 -4.337 7.241 1.00 0.00 H new ATOM 0 HG13 ILE B 141 16.372 -3.234 6.000 1.00 0.00 H new ATOM 0 HG21 ILE B 141 15.767 -3.619 9.711 1.00 0.00 H new ATOM 0 HG22 ILE B 141 14.088 -4.157 9.468 1.00 0.00 H new ATOM 0 HG23 ILE B 141 15.436 -5.157 8.877 1.00 0.00 H new ATOM 0 HD11 ILE B 141 18.322 -2.308 7.182 1.00 0.00 H new ATOM 0 HD12 ILE B 141 16.884 -1.299 7.470 1.00 0.00 H new ATOM 0 HD13 ILE B 141 17.452 -2.420 8.730 1.00 0.00 H new ATOM 1207 N GLU B 142 12.460 -5.545 7.466 1.00 0.00 N ATOM 1208 CA GLU B 142 11.173 -5.884 8.045 1.00 0.00 C ATOM 1209 C GLU B 142 11.300 -6.632 9.358 1.00 0.00 C ATOM 1210 O GLU B 142 12.326 -7.254 9.645 1.00 0.00 O ATOM 1211 CB GLU B 142 10.349 -6.713 7.055 1.00 0.00 C ATOM 1212 CG GLU B 142 11.016 -7.993 6.604 1.00 0.00 C ATOM 1213 CD GLU B 142 10.157 -8.785 5.637 1.00 0.00 C ATOM 1214 OE1 GLU B 142 9.789 -8.238 4.576 1.00 0.00 O ATOM 1215 OE2 GLU B 142 9.848 -9.955 5.941 1.00 0.00 O ATOM 0 H GLU B 142 13.111 -6.317 7.323 1.00 0.00 H new ATOM 0 HA GLU B 142 10.665 -4.943 8.256 1.00 0.00 H new ATOM 0 HB2 GLU B 142 9.392 -6.959 7.515 1.00 0.00 H new ATOM 0 HB3 GLU B 142 10.134 -6.101 6.179 1.00 0.00 H new ATOM 0 HG2 GLU B 142 11.968 -7.755 6.129 1.00 0.00 H new ATOM 0 HG3 GLU B 142 11.240 -8.609 7.475 1.00 0.00 H new ATOM 1217 N ASN B 143 10.247 -6.546 10.161 1.00 0.00 N ATOM 1218 CA ASN B 143 10.202 -7.222 11.444 1.00 0.00 C ATOM 1219 C ASN B 143 9.518 -8.575 11.288 1.00 0.00 C ATOM 1220 O ASN B 143 8.316 -8.650 11.031 1.00 0.00 O ATOM 1221 CB ASN B 143 9.446 -6.360 12.460 1.00 0.00 C ATOM 1222 CG ASN B 143 9.144 -7.099 13.746 1.00 0.00 C ATOM 1223 OD1 ASN B 143 9.760 -8.122 14.056 1.00 0.00 O ATOM 1224 ND2 ASN B 143 8.196 -6.576 14.510 1.00 0.00 N ATOM 0 H ASN B 143 9.408 -6.009 9.941 1.00 0.00 H new ATOM 0 HA ASN B 143 11.218 -7.379 11.805 1.00 0.00 H new ATOM 0 HB2 ASN B 143 10.036 -5.472 12.687 1.00 0.00 H new ATOM 0 HB3 ASN B 143 8.512 -6.017 12.015 1.00 0.00 H new ATOM 0 HD21 ASN B 143 7.950 -7.021 15.394 1.00 0.00 H new ATOM 0 HD22 ASN B 143 7.712 -5.728 14.214 1.00 0.00 H new ATOM 1226 N VAL B 144 10.298 -9.638 11.434 1.00 0.00 N ATOM 1227 CA VAL B 144 9.772 -10.992 11.334 1.00 0.00 C ATOM 1228 C VAL B 144 9.821 -11.628 12.722 1.00 0.00 C ATOM 1229 O VAL B 144 10.880 -12.040 13.191 1.00 0.00 O ATOM 1230 CB VAL B 144 10.605 -11.849 10.354 1.00 0.00 C ATOM 1231 CG1 VAL B 144 10.036 -13.257 10.284 1.00 0.00 C ATOM 1232 CG2 VAL B 144 10.605 -11.209 8.972 1.00 0.00 C ATOM 0 H VAL B 144 11.299 -9.588 11.622 1.00 0.00 H new ATOM 0 HA VAL B 144 8.750 -10.947 10.958 1.00 0.00 H new ATOM 0 HB VAL B 144 11.633 -11.904 10.713 1.00 0.00 H new ATOM 0 HG11 VAL B 144 10.628 -13.855 9.591 1.00 0.00 H new ATOM 0 HG12 VAL B 144 10.067 -13.712 11.274 1.00 0.00 H new ATOM 0 HG13 VAL B 144 9.004 -13.215 9.936 1.00 0.00 H new ATOM 0 HG21 VAL B 144 11.194 -11.820 8.288 1.00 0.00 H new ATOM 0 HG22 VAL B 144 9.581 -11.137 8.604 1.00 0.00 H new ATOM 0 HG23 VAL B 144 11.039 -10.211 9.033 1.00 0.00 H new ATOM 1234 N ASP B 145 8.670 -11.672 13.385 1.00 0.00 N ATOM 1235 CA ASP B 145 8.561 -12.255 14.718 1.00 0.00 C ATOM 1236 C ASP B 145 9.583 -11.698 15.709 1.00 0.00 C ATOM 1237 O ASP B 145 10.209 -12.445 16.459 1.00 0.00 O ATOM 1238 CB ASP B 145 8.685 -13.782 14.627 1.00 0.00 C ATOM 1239 CG ASP B 145 8.284 -14.481 15.915 1.00 0.00 C ATOM 1240 OD1 ASP B 145 7.428 -13.937 16.646 1.00 0.00 O ATOM 1241 OD2 ASP B 145 8.810 -15.583 16.184 1.00 0.00 O ATOM 0 H ASP B 145 7.792 -11.307 13.017 1.00 0.00 H new ATOM 0 HA ASP B 145 7.580 -11.980 15.105 1.00 0.00 H new ATOM 0 HB2 ASP B 145 8.060 -14.145 13.812 1.00 0.00 H new ATOM 0 HB3 ASP B 145 9.714 -14.045 14.381 1.00 0.00 H new ATOM 1243 N GLY B 146 9.757 -10.378 15.696 1.00 0.00 N ATOM 1244 CA GLY B 146 10.670 -9.737 16.625 1.00 0.00 C ATOM 1245 C GLY B 146 12.108 -9.570 16.185 1.00 0.00 C ATOM 1246 O GLY B 146 12.914 -8.990 16.916 1.00 0.00 O ATOM 0 H GLY B 146 9.281 -9.741 15.057 1.00 0.00 H new ATOM 0 HA2 GLY B 146 10.273 -8.750 16.860 1.00 0.00 H new ATOM 0 HA3 GLY B 146 10.666 -10.311 17.552 1.00 0.00 H new ATOM 1248 N SER B 147 12.435 -10.066 14.998 1.00 0.00 N ATOM 1249 CA SER B 147 13.792 -9.974 14.475 1.00 0.00 C ATOM 1250 C SER B 147 13.829 -9.160 13.187 1.00 0.00 C ATOM 1251 O SER B 147 13.038 -9.395 12.273 1.00 0.00 O ATOM 1252 CB SER B 147 14.336 -11.379 14.207 1.00 0.00 C ATOM 1253 OG SER B 147 15.639 -11.327 13.648 1.00 0.00 O ATOM 0 H SER B 147 11.777 -10.537 14.378 1.00 0.00 H new ATOM 0 HA SER B 147 14.412 -9.472 15.218 1.00 0.00 H new ATOM 0 HB2 SER B 147 14.359 -11.946 15.137 1.00 0.00 H new ATOM 0 HB3 SER B 147 13.667 -11.907 13.528 1.00 0.00 H new ATOM 0 HG SER B 147 16.092 -12.183 13.795 1.00 0.00 H new ATOM 1255 N LEU B 148 14.740 -8.196 13.120 1.00 0.00 N ATOM 1256 CA LEU B 148 14.871 -7.381 11.917 1.00 0.00 C ATOM 1257 C LEU B 148 15.561 -8.210 10.844 1.00 0.00 C ATOM 1258 O LEU B 148 16.636 -8.770 11.071 1.00 0.00 O ATOM 1259 CB LEU B 148 15.683 -6.115 12.206 1.00 0.00 C ATOM 1260 CG LEU B 148 15.022 -5.074 13.116 1.00 0.00 C ATOM 1261 CD1 LEU B 148 16.027 -3.985 13.440 1.00 0.00 C ATOM 1262 CD2 LEU B 148 13.784 -4.488 12.446 1.00 0.00 C ATOM 0 H LEU B 148 15.389 -7.962 13.871 1.00 0.00 H new ATOM 0 HA LEU B 148 13.882 -7.075 11.576 1.00 0.00 H new ATOM 0 HB2 LEU B 148 16.629 -6.412 12.658 1.00 0.00 H new ATOM 0 HB3 LEU B 148 15.920 -5.637 11.256 1.00 0.00 H new ATOM 0 HG LEU B 148 14.703 -5.552 14.042 1.00 0.00 H new ATOM 0 HD11 LEU B 148 15.562 -3.242 14.087 1.00 0.00 H new ATOM 0 HD12 LEU B 148 16.886 -4.422 13.949 1.00 0.00 H new ATOM 0 HD13 LEU B 148 16.356 -3.507 12.517 1.00 0.00 H new ATOM 0 HD21 LEU B 148 13.327 -3.751 13.106 1.00 0.00 H new ATOM 0 HD22 LEU B 148 14.069 -4.009 11.510 1.00 0.00 H new ATOM 0 HD23 LEU B 148 13.069 -5.285 12.242 1.00 0.00 H new ATOM 1264 N LYS B 149 14.933 -8.293 9.676 1.00 0.00 N ATOM 1265 CA LYS B 149 15.478 -9.063 8.561 1.00 0.00 C ATOM 1266 C LYS B 149 15.478 -8.218 7.299 1.00 0.00 C ATOM 1267 O LYS B 149 14.691 -7.279 7.174 1.00 0.00 O ATOM 1268 CB LYS B 149 14.616 -10.302 8.299 1.00 0.00 C ATOM 1269 CG LYS B 149 14.340 -11.173 9.511 1.00 0.00 C ATOM 1270 CD LYS B 149 15.590 -11.859 10.008 1.00 0.00 C ATOM 1271 CE LYS B 149 15.257 -12.856 11.104 1.00 0.00 C ATOM 1272 NZ LYS B 149 16.471 -13.513 11.654 1.00 0.00 N ATOM 0 H LYS B 149 14.044 -7.836 9.475 1.00 0.00 H new ATOM 0 HA LYS B 149 16.494 -9.361 8.820 1.00 0.00 H new ATOM 0 HB2 LYS B 149 13.663 -9.978 7.881 1.00 0.00 H new ATOM 0 HB3 LYS B 149 15.107 -10.911 7.540 1.00 0.00 H new ATOM 0 HG2 LYS B 149 13.920 -10.561 10.309 1.00 0.00 H new ATOM 0 HG3 LYS B 149 13.591 -11.923 9.256 1.00 0.00 H new ATOM 0 HD2 LYS B 149 16.083 -12.371 9.181 1.00 0.00 H new ATOM 0 HD3 LYS B 149 16.292 -11.116 10.387 1.00 0.00 H new ATOM 0 HE2 LYS B 149 14.727 -12.346 11.908 1.00 0.00 H new ATOM 0 HE3 LYS B 149 14.582 -13.616 10.709 1.00 0.00 H new ATOM 0 HZ1 LYS B 149 16.195 -14.185 12.399 1.00 0.00 H new ATOM 0 HZ2 LYS B 149 16.965 -14.023 10.894 1.00 0.00 H new ATOM 0 HZ3 LYS B 149 17.104 -12.792 12.055 1.00 0.00 H new ATOM 1274 N TRP B 150 16.473 -8.515 6.466 1.00 0.00 N ATOM 1275 CA TRP B 150 16.563 -7.982 5.097 1.00 0.00 C ATOM 1276 C TRP B 150 15.501 -8.590 4.177 1.00 0.00 C ATOM 1277 O TRP B 150 15.034 -9.716 4.348 1.00 0.00 O ATOM 1278 CB TRP B 150 17.932 -8.213 4.451 1.00 0.00 C ATOM 1279 CG TRP B 150 19.057 -7.480 5.179 1.00 0.00 C ATOM 1280 CD1 TRP B 150 20.019 -8.071 5.876 1.00 0.00 C ATOM 1281 CD2 TRP B 150 19.364 -6.129 5.115 1.00 0.00 C ATOM 1282 NE1 TRP B 150 20.903 -7.156 6.268 1.00 0.00 N ATOM 1283 CE2 TRP B 150 20.544 -5.957 5.814 1.00 0.00 C ATOM 1284 CE3 TRP B 150 18.750 -5.040 4.521 1.00 0.00 C ATOM 1285 CZ2 TRP B 150 21.106 -4.691 5.917 1.00 0.00 C ATOM 1286 CZ3 TRP B 150 19.312 -3.771 4.637 1.00 0.00 C ATOM 1287 CH2 TRP B 150 20.493 -3.593 5.337 1.00 0.00 C ATOM 0 H TRP B 150 17.245 -9.133 6.716 1.00 0.00 H new ATOM 0 HA TRP B 150 16.399 -6.910 5.206 1.00 0.00 H new ATOM 0 HB2 TRP B 150 18.148 -9.281 4.439 1.00 0.00 H new ATOM 0 HB3 TRP B 150 17.900 -7.882 3.413 1.00 0.00 H new ATOM 0 HD1 TRP B 150 20.076 -9.128 6.091 1.00 0.00 H new ATOM 0 HE1 TRP B 150 21.732 -7.345 6.832 1.00 0.00 H new ATOM 0 HE3 TRP B 150 17.833 -5.175 3.966 1.00 0.00 H new ATOM 0 HZ2 TRP B 150 22.033 -4.561 6.456 1.00 0.00 H new ATOM 0 HZ3 TRP B 150 18.825 -2.923 4.179 1.00 0.00 H new ATOM 0 HH2 TRP B 150 20.931 -2.610 5.430 1.00 0.00 H new ATOM 1290 N GLN B 151 14.941 -7.636 3.462 1.00 0.00 N ATOM 1291 CA GLN B 151 13.960 -7.760 2.374 1.00 0.00 C ATOM 1292 C GLN B 151 14.629 -7.013 1.182 1.00 0.00 C ATOM 1293 O GLN B 151 15.849 -7.136 1.069 1.00 0.00 O ATOM 1294 CB GLN B 151 12.820 -7.103 3.154 1.00 0.00 C ATOM 1295 CG GLN B 151 11.502 -6.723 2.516 1.00 0.00 C ATOM 1296 CD GLN B 151 11.216 -5.264 2.848 1.00 0.00 C ATOM 1297 OE1 GLN B 151 10.844 -4.964 4.072 1.00 0.00 O flip ATOM 1298 NE2 GLN B 151 11.158 -4.431 1.965 1.00 0.00 N flip ATOM 0 H GLN B 151 15.175 -6.658 3.635 1.00 0.00 H new ATOM 0 HA GLN B 151 13.630 -8.694 1.918 1.00 0.00 H new ATOM 0 HB2 GLN B 151 12.583 -7.773 3.980 1.00 0.00 H new ATOM 0 HB3 GLN B 151 13.228 -6.191 3.590 1.00 0.00 H new ATOM 0 HG2 GLN B 151 11.547 -6.865 1.436 1.00 0.00 H new ATOM 0 HG3 GLN B 151 10.701 -7.362 2.888 1.00 0.00 H new ATOM 0 HE21 GLN B 151 11.449 -4.671 1.017 1.00 0.00 H new ATOM 0 HE22 GLN B 151 10.819 -3.492 2.172 1.00 0.00 H new ATOM 1300 N PRO B 152 13.943 -6.465 0.166 1.00 0.00 N ATOM 1301 CA PRO B 152 14.528 -5.363 -0.647 1.00 0.00 C ATOM 1302 C PRO B 152 14.298 -4.009 0.038 1.00 0.00 C ATOM 1303 O PRO B 152 13.566 -4.016 1.009 1.00 0.00 O ATOM 1304 CB PRO B 152 13.818 -5.445 -1.998 1.00 0.00 C ATOM 1305 CG PRO B 152 12.480 -6.095 -1.655 1.00 0.00 C ATOM 1306 CD PRO B 152 12.848 -7.116 -0.577 1.00 0.00 C ATOM 0 HA PRO B 152 15.608 -5.458 -0.763 1.00 0.00 H new ATOM 0 HB2 PRO B 152 13.684 -4.459 -2.442 1.00 0.00 H new ATOM 0 HB3 PRO B 152 14.383 -6.042 -2.714 1.00 0.00 H new ATOM 0 HG2 PRO B 152 11.761 -5.364 -1.287 1.00 0.00 H new ATOM 0 HG3 PRO B 152 12.031 -6.574 -2.525 1.00 0.00 H new ATOM 0 HD2 PRO B 152 12.000 -7.336 0.072 1.00 0.00 H new ATOM 0 HD3 PRO B 152 13.168 -8.062 -1.014 1.00 0.00 H new ATOM 1307 N SER B 153 15.054 -2.949 -0.293 1.00 0.00 N ATOM 1308 CA SER B 153 14.852 -1.588 0.288 1.00 0.00 C ATOM 1309 C SER B 153 13.729 -0.681 -0.194 1.00 0.00 C ATOM 1310 O SER B 153 13.627 0.491 0.182 1.00 0.00 O ATOM 1311 CB SER B 153 16.119 -0.740 0.352 1.00 0.00 C ATOM 1312 OG SER B 153 16.258 0.421 -0.473 1.00 0.00 O ATOM 0 H SER B 153 15.820 -2.998 -0.965 1.00 0.00 H new ATOM 0 HA SER B 153 14.517 -1.941 1.263 1.00 0.00 H new ATOM 0 HB2 SER B 153 16.237 -0.416 1.386 1.00 0.00 H new ATOM 0 HB3 SER B 153 16.958 -1.398 0.126 1.00 0.00 H new ATOM 0 HG SER B 153 16.946 1.009 -0.097 1.00 0.00 H new ATOM 1314 N ASN B 154 12.967 -1.255 -1.096 1.00 0.00 N ATOM 1315 CA ASN B 154 11.896 -0.614 -1.858 1.00 0.00 C ATOM 1316 C ASN B 154 11.525 -1.635 -2.939 1.00 0.00 C ATOM 1317 O ASN B 154 12.152 -2.687 -3.095 1.00 0.00 O ATOM 1318 CB ASN B 154 12.415 0.699 -2.481 1.00 0.00 C ATOM 1319 CG ASN B 154 13.626 0.462 -3.374 1.00 0.00 C ATOM 1320 OD1 ASN B 154 13.486 -0.137 -4.426 1.00 0.00 O ATOM 1321 ND2 ASN B 154 14.816 0.694 -2.871 1.00 0.00 N ATOM 0 H ASN B 154 13.077 -2.240 -1.339 1.00 0.00 H new ATOM 0 HA ASN B 154 11.034 -0.350 -1.245 1.00 0.00 H new ATOM 0 HB2 ASN B 154 11.620 1.164 -3.063 1.00 0.00 H new ATOM 0 HB3 ASN B 154 12.680 1.398 -1.688 1.00 0.00 H new ATOM 0 HD21 ASN B 154 15.649 0.371 -3.362 1.00 0.00 H new ATOM 0 HD22 ASN B 154 14.907 1.198 -1.989 1.00 0.00 H new ATOM 1323 N PHE B 155 10.641 -1.178 -3.799 1.00 0.00 N ATOM 1324 CA PHE B 155 10.307 -1.919 -5.005 1.00 0.00 C ATOM 1325 C PHE B 155 10.420 -0.968 -6.196 1.00 0.00 C ATOM 1326 O PHE B 155 10.386 -1.390 -7.350 1.00 0.00 O ATOM 1327 CB PHE B 155 8.892 -2.522 -4.911 1.00 0.00 C ATOM 1328 CG PHE B 155 7.779 -1.507 -4.886 1.00 0.00 C ATOM 1329 CD1 PHE B 155 7.304 -0.942 -6.067 1.00 0.00 C ATOM 1330 CD2 PHE B 155 7.185 -1.135 -3.686 1.00 0.00 C ATOM 1331 CE1 PHE B 155 6.252 -0.024 -6.051 1.00 0.00 C ATOM 1332 CE2 PHE B 155 6.134 -0.218 -3.658 1.00 0.00 C ATOM 1333 CZ PHE B 155 5.667 0.337 -4.846 1.00 0.00 C ATOM 0 H PHE B 155 10.138 -0.297 -3.689 1.00 0.00 H new ATOM 0 HA PHE B 155 10.999 -2.752 -5.130 1.00 0.00 H new ATOM 0 HB2 PHE B 155 8.739 -3.189 -5.759 1.00 0.00 H new ATOM 0 HB3 PHE B 155 8.830 -3.132 -4.010 1.00 0.00 H new ATOM 0 HD1 PHE B 155 7.756 -1.218 -7.008 1.00 0.00 H new ATOM 0 HD2 PHE B 155 7.543 -1.562 -2.761 1.00 0.00 H new ATOM 0 HE1 PHE B 155 5.894 0.404 -6.976 1.00 0.00 H new ATOM 0 HE2 PHE B 155 5.684 0.061 -2.717 1.00 0.00 H new ATOM 0 HZ PHE B 155 4.852 1.046 -4.830 1.00 0.00 H new ATOM 1335 N ILE B 156 10.578 0.322 -5.902 1.00 0.00 N ATOM 1336 CA ILE B 156 10.704 1.332 -6.953 1.00 0.00 C ATOM 1337 C ILE B 156 12.071 1.303 -7.633 1.00 0.00 C ATOM 1338 O ILE B 156 12.273 1.960 -8.653 1.00 0.00 O ATOM 1339 CB ILE B 156 10.471 2.758 -6.406 1.00 0.00 C ATOM 1340 CG1 ILE B 156 11.461 3.049 -5.276 1.00 0.00 C ATOM 1341 CG2 ILE B 156 9.036 2.907 -5.934 1.00 0.00 C ATOM 1342 CD1 ILE B 156 11.457 4.486 -4.806 1.00 0.00 C ATOM 0 H ILE B 156 10.622 0.691 -4.952 1.00 0.00 H new ATOM 0 HA ILE B 156 9.936 1.083 -7.685 1.00 0.00 H new ATOM 0 HB ILE B 156 10.640 3.484 -7.201 1.00 0.00 H new ATOM 0 HG12 ILE B 156 11.231 2.401 -4.430 1.00 0.00 H new ATOM 0 HG13 ILE B 156 12.465 2.791 -5.612 1.00 0.00 H new ATOM 0 HG21 ILE B 156 8.882 3.916 -5.550 1.00 0.00 H new ATOM 0 HG22 ILE B 156 8.358 2.729 -6.769 1.00 0.00 H new ATOM 0 HG23 ILE B 156 8.836 2.184 -5.144 1.00 0.00 H new ATOM 0 HD11 ILE B 156 12.186 4.609 -4.005 1.00 0.00 H new ATOM 0 HD12 ILE B 156 11.718 5.141 -5.637 1.00 0.00 H new ATOM 0 HD13 ILE B 156 10.465 4.745 -4.437 1.00 0.00 H new ATOM 1344 N GLU B 157 13.010 0.553 -7.065 1.00 0.00 N ATOM 1345 CA GLU B 157 14.349 0.445 -7.645 1.00 0.00 C ATOM 1346 C GLU B 157 14.343 -0.572 -8.784 1.00 0.00 C ATOM 1347 O GLU B 157 15.136 -0.470 -9.725 1.00 0.00 O ATOM 1348 CB GLU B 157 15.357 0.017 -6.569 1.00 0.00 C ATOM 1349 CG GLU B 157 16.711 -0.489 -7.082 1.00 0.00 C ATOM 1350 CD GLU B 157 17.584 0.589 -7.712 1.00 0.00 C ATOM 1351 OE1 GLU B 157 17.103 1.724 -7.928 1.00 0.00 O ATOM 1352 OE2 GLU B 157 18.766 0.288 -7.997 1.00 0.00 O ATOM 0 H GLU B 157 12.873 0.014 -6.210 1.00 0.00 H new ATOM 0 HA GLU B 157 14.642 1.419 -8.038 1.00 0.00 H new ATOM 0 HB2 GLU B 157 15.535 0.865 -5.908 1.00 0.00 H new ATOM 0 HB3 GLU B 157 14.903 -0.768 -5.965 1.00 0.00 H new ATOM 0 HG2 GLU B 157 17.255 -0.942 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU B 157 16.537 -1.275 -7.817 1.00 0.00 H new ATOM 1354 N THR B 158 13.434 -1.542 -8.698 1.00 0.00 N ATOM 1355 CA THR B 158 13.331 -2.591 -9.705 1.00 0.00 C ATOM 1356 C THR B 158 12.010 -2.612 -10.469 1.00 0.00 C ATOM 1357 O THR B 158 11.789 -3.491 -11.302 1.00 0.00 O ATOM 1358 CB THR B 158 13.558 -3.984 -9.077 1.00 0.00 C ATOM 1359 OG1 THR B 158 12.609 -4.198 -8.023 1.00 0.00 O ATOM 1360 CG2 THR B 158 14.970 -4.086 -8.512 1.00 0.00 C ATOM 0 H THR B 158 12.758 -1.621 -7.938 1.00 0.00 H new ATOM 0 HA THR B 158 14.114 -2.354 -10.426 1.00 0.00 H new ATOM 0 HB THR B 158 13.428 -4.742 -9.850 1.00 0.00 H new ATOM 0 HG1 THR B 158 12.934 -4.906 -7.429 1.00 0.00 H new ATOM 0 HG21 THR B 158 15.116 -5.073 -8.073 1.00 0.00 H new ATOM 0 HG22 THR B 158 15.694 -3.935 -9.313 1.00 0.00 H new ATOM 0 HG23 THR B 158 15.111 -3.323 -7.746 1.00 0.00 H new ATOM 1362 N CYS B 159 11.131 -1.656 -10.183 1.00 0.00 N ATOM 1363 CA CYS B 159 9.853 -1.573 -10.889 1.00 0.00 C ATOM 1364 C CYS B 159 9.717 -0.160 -11.435 1.00 0.00 C ATOM 1365 O CYS B 159 10.256 0.790 -10.871 1.00 0.00 O ATOM 1366 CB CYS B 159 8.672 -1.864 -9.961 1.00 0.00 C ATOM 1367 SG CYS B 159 8.643 -3.481 -9.120 1.00 0.00 S ATOM 0 H CYS B 159 11.276 -0.935 -9.476 1.00 0.00 H new ATOM 0 HA CYS B 159 9.839 -2.317 -11.686 1.00 0.00 H new ATOM 0 HB2 CYS B 159 8.645 -1.087 -9.197 1.00 0.00 H new ATOM 0 HB3 CYS B 159 7.755 -1.771 -10.543 1.00 0.00 H new ATOM 1369 N ARG B 160 8.984 -0.026 -12.533 1.00 0.00 N ATOM 1370 CA ARG B 160 8.794 1.271 -13.159 1.00 0.00 C ATOM 1371 C ARG B 160 7.338 1.442 -13.572 1.00 0.00 C ATOM 1372 O ARG B 160 6.543 0.500 -13.514 1.00 0.00 O ATOM 1373 CB ARG B 160 9.684 1.375 -14.396 1.00 0.00 C ATOM 1374 CG ARG B 160 9.247 0.431 -15.502 1.00 0.00 C ATOM 1375 CD ARG B 160 10.242 0.350 -16.644 1.00 0.00 C ATOM 1376 NE ARG B 160 9.741 -0.546 -17.682 1.00 0.00 N ATOM 1377 CZ ARG B 160 10.463 -1.001 -18.696 1.00 0.00 C ATOM 1378 NH1 ARG B 160 11.735 -0.647 -18.821 1.00 0.00 N ATOM 1379 NH2 ARG B 160 9.911 -1.814 -19.586 1.00 0.00 N ATOM 0 H ARG B 160 8.514 -0.798 -13.005 1.00 0.00 H new ATOM 0 HA ARG B 160 9.060 2.052 -12.447 1.00 0.00 H new ATOM 0 HB2 ARG B 160 9.667 2.399 -14.768 1.00 0.00 H new ATOM 0 HB3 ARG B 160 10.715 1.154 -14.119 1.00 0.00 H new ATOM 0 HG2 ARG B 160 9.101 -0.565 -15.084 1.00 0.00 H new ATOM 0 HG3 ARG B 160 8.283 0.758 -15.891 1.00 0.00 H new ATOM 0 HD2 ARG B 160 10.411 1.343 -17.060 1.00 0.00 H new ATOM 0 HD3 ARG B 160 11.203 -0.009 -16.275 1.00 0.00 H new ATOM 0 HE ARG B 160 8.767 -0.843 -17.623 1.00 0.00 H new ATOM 0 HH11 ARG B 160 12.160 -0.023 -18.136 1.00 0.00 H new ATOM 0 HH12 ARG B 160 12.288 -0.999 -19.603 1.00 0.00 H new ATOM 0 HH21 ARG B 160 8.933 -2.088 -19.489 1.00 0.00 H new ATOM 0 HH22 ARG B 160 10.464 -2.166 -20.367 1.00 0.00 H new ATOM 1381 N ASN B 161 6.996 2.656 -13.984 1.00 0.00 N ATOM 1382 CA ASN B 161 5.649 2.966 -14.438 1.00 0.00 C ATOM 1383 C ASN B 161 4.563 2.516 -13.463 1.00 0.00 C ATOM 1384 O ASN B 161 3.624 1.813 -13.841 1.00 0.00 O ATOM 1385 CB ASN B 161 5.425 2.334 -15.817 1.00 0.00 C ATOM 1386 CG ASN B 161 4.128 2.776 -16.466 1.00 0.00 C ATOM 1387 OD1 ASN B 161 3.671 3.901 -16.268 1.00 0.00 O ATOM 1388 ND2 ASN B 161 3.536 1.893 -17.264 1.00 0.00 N ATOM 0 H ASN B 161 7.640 3.447 -14.013 1.00 0.00 H new ATOM 0 HA ASN B 161 5.568 4.051 -14.498 1.00 0.00 H new ATOM 0 HB2 ASN B 161 6.259 2.594 -16.470 1.00 0.00 H new ATOM 0 HB3 ASN B 161 5.424 1.249 -15.718 1.00 0.00 H new ATOM 0 HD21 ASN B 161 2.668 2.138 -17.740 1.00 0.00 H new ATOM 0 HD22 ASN B 161 3.950 0.971 -17.400 1.00 0.00 H new ATOM 1390 N THR B 162 4.691 2.922 -12.206 1.00 0.00 N ATOM 1391 CA THR B 162 3.688 2.561 -11.212 1.00 0.00 C ATOM 1392 C THR B 162 2.450 3.399 -11.498 1.00 0.00 C ATOM 1393 O THR B 162 2.554 4.587 -11.814 1.00 0.00 O ATOM 1394 CB THR B 162 4.167 2.856 -9.777 1.00 0.00 C ATOM 1395 OG1 THR B 162 4.390 4.266 -9.621 1.00 0.00 O ATOM 1396 CG2 THR B 162 5.450 2.099 -9.479 1.00 0.00 C ATOM 0 H THR B 162 5.462 3.490 -11.855 1.00 0.00 H new ATOM 0 HA THR B 162 3.487 1.492 -11.278 1.00 0.00 H new ATOM 0 HB THR B 162 3.397 2.530 -9.078 1.00 0.00 H new ATOM 0 HG1 THR B 162 4.473 4.481 -8.668 1.00 0.00 H new ATOM 0 HG21 THR B 162 5.774 2.319 -8.462 1.00 0.00 H new ATOM 0 HG22 THR B 162 5.273 1.028 -9.580 1.00 0.00 H new ATOM 0 HG23 THR B 162 6.225 2.406 -10.181 1.00 0.00 H new ATOM 1398 N GLN B 163 1.279 2.781 -11.404 1.00 0.00 N ATOM 1399 CA GLN B 163 0.033 3.493 -11.664 1.00 0.00 C ATOM 1400 C GLN B 163 -1.090 2.932 -10.811 1.00 0.00 C ATOM 1401 O GLN B 163 -1.041 1.776 -10.392 1.00 0.00 O ATOM 1402 CB GLN B 163 -0.373 3.360 -13.138 1.00 0.00 C ATOM 1403 CG GLN B 163 0.698 3.733 -14.150 1.00 0.00 C ATOM 1404 CD GLN B 163 0.172 3.753 -15.577 1.00 0.00 C ATOM 1405 OE1 GLN B 163 -1.146 3.759 -15.720 1.00 0.00 O flip ATOM 1406 NE2 GLN B 163 0.944 3.775 -16.535 1.00 0.00 N flip ATOM 0 H GLN B 163 1.165 1.799 -11.153 1.00 0.00 H new ATOM 0 HA GLN B 163 0.200 4.542 -11.419 1.00 0.00 H new ATOM 0 HB2 GLN B 163 -0.677 2.329 -13.321 1.00 0.00 H new ATOM 0 HB3 GLN B 163 -1.247 3.987 -13.313 1.00 0.00 H new ATOM 0 HG2 GLN B 163 1.101 4.715 -13.902 1.00 0.00 H new ATOM 0 HG3 GLN B 163 1.522 3.023 -14.080 1.00 0.00 H new ATOM 0 HE21 GLN B 163 1.952 3.769 -16.378 1.00 0.00 H new ATOM 0 HE22 GLN B 163 0.576 3.799 -17.486 1.00 0.00 H new ATOM 1408 N LEU B 164 -2.095 3.759 -10.550 1.00 0.00 N ATOM 1409 CA LEU B 164 -3.260 3.318 -9.801 1.00 0.00 C ATOM 1410 C LEU B 164 -4.266 2.878 -10.854 1.00 0.00 C ATOM 1411 O LEU B 164 -4.747 3.697 -11.641 1.00 0.00 O ATOM 1412 CB LEU B 164 -3.856 4.459 -8.972 1.00 0.00 C ATOM 1413 CG LEU B 164 -5.166 4.105 -8.256 1.00 0.00 C ATOM 1414 CD1 LEU B 164 -4.911 3.020 -7.226 1.00 0.00 C ATOM 1415 CD2 LEU B 164 -5.744 5.341 -7.589 1.00 0.00 C ATOM 0 H LEU B 164 -2.125 4.735 -10.846 1.00 0.00 H new ATOM 0 HA LEU B 164 -2.999 2.522 -9.103 1.00 0.00 H new ATOM 0 HB2 LEU B 164 -3.123 4.773 -8.229 1.00 0.00 H new ATOM 0 HB3 LEU B 164 -4.033 5.313 -9.626 1.00 0.00 H new ATOM 0 HG LEU B 164 -5.885 3.735 -8.987 1.00 0.00 H new ATOM 0 HD11 LEU B 164 -5.844 2.772 -6.720 1.00 0.00 H new ATOM 0 HD12 LEU B 164 -4.520 2.132 -7.722 1.00 0.00 H new ATOM 0 HD13 LEU B 164 -4.185 3.376 -6.495 1.00 0.00 H new ATOM 0 HD21 LEU B 164 -6.674 5.080 -7.083 1.00 0.00 H new ATOM 0 HD22 LEU B 164 -5.031 5.729 -6.861 1.00 0.00 H new ATOM 0 HD23 LEU B 164 -5.942 6.102 -8.343 1.00 0.00 H new ATOM 1417 N ALA B 165 -4.563 1.583 -10.880 1.00 0.00 N ATOM 1418 CA ALA B 165 -5.514 1.027 -11.838 1.00 0.00 C ATOM 1419 C ALA B 165 -6.854 0.874 -11.137 1.00 0.00 C ATOM 1420 O ALA B 165 -6.966 0.158 -10.141 1.00 0.00 O ATOM 1421 CB ALA B 165 -5.022 -0.323 -12.338 1.00 0.00 C ATOM 0 H ALA B 165 -4.157 0.895 -10.246 1.00 0.00 H new ATOM 0 HA ALA B 165 -5.616 1.689 -12.698 1.00 0.00 H new ATOM 0 HB1 ALA B 165 -5.738 -0.730 -13.052 1.00 0.00 H new ATOM 0 HB2 ALA B 165 -4.054 -0.200 -12.825 1.00 0.00 H new ATOM 0 HB3 ALA B 165 -4.920 -1.008 -11.496 1.00 0.00 H new ATOM 1423 N GLY B 166 -7.869 1.552 -11.656 1.00 0.00 N ATOM 1424 CA GLY B 166 -9.175 1.478 -11.032 1.00 0.00 C ATOM 1425 C GLY B 166 -9.173 2.290 -9.752 1.00 0.00 C ATOM 1426 O GLY B 166 -8.576 3.366 -9.692 1.00 0.00 O ATOM 0 H GLY B 166 -7.814 2.143 -12.485 1.00 0.00 H new ATOM 0 HA2 GLY B 166 -9.937 1.856 -11.714 1.00 0.00 H new ATOM 0 HA3 GLY B 166 -9.428 0.440 -10.816 1.00 0.00 H new ATOM 1428 N SER B 167 -9.820 1.773 -8.714 1.00 0.00 N ATOM 1429 CA SER B 167 -9.894 2.490 -7.450 1.00 0.00 C ATOM 1430 C SER B 167 -8.943 1.990 -6.365 1.00 0.00 C ATOM 1431 O SER B 167 -8.761 2.665 -5.354 1.00 0.00 O ATOM 1432 CB SER B 167 -11.326 2.447 -6.915 1.00 0.00 C ATOM 1433 OG SER B 167 -11.768 1.108 -6.765 1.00 0.00 O ATOM 0 H SER B 167 -10.295 0.871 -8.723 1.00 0.00 H new ATOM 0 HA SER B 167 -9.579 3.508 -7.680 1.00 0.00 H new ATOM 0 HB2 SER B 167 -11.376 2.961 -5.955 1.00 0.00 H new ATOM 0 HB3 SER B 167 -11.990 2.980 -7.596 1.00 0.00 H new ATOM 0 HG SER B 167 -12.685 1.103 -6.420 1.00 0.00 H new ATOM 1435 N SER B 168 -8.326 0.828 -6.565 1.00 0.00 N ATOM 1436 CA SER B 168 -7.439 0.304 -5.528 1.00 0.00 C ATOM 1437 C SER B 168 -6.285 -0.581 -5.985 1.00 0.00 C ATOM 1438 O SER B 168 -5.554 -1.116 -5.152 1.00 0.00 O ATOM 1439 CB SER B 168 -8.264 -0.481 -4.511 1.00 0.00 C ATOM 1440 OG SER B 168 -8.840 -1.627 -5.114 1.00 0.00 O ATOM 0 H SER B 168 -8.417 0.250 -7.401 1.00 0.00 H new ATOM 0 HA SER B 168 -6.967 1.195 -5.113 1.00 0.00 H new ATOM 0 HB2 SER B 168 -7.631 -0.782 -3.676 1.00 0.00 H new ATOM 0 HB3 SER B 168 -9.049 0.155 -4.103 1.00 0.00 H new ATOM 0 HG SER B 168 -8.376 -2.431 -4.799 1.00 0.00 H new ATOM 1442 N GLU B 169 -6.111 -0.724 -7.292 1.00 0.00 N ATOM 1443 CA GLU B 169 -5.063 -1.583 -7.827 1.00 0.00 C ATOM 1444 C GLU B 169 -3.755 -0.855 -8.126 1.00 0.00 C ATOM 1445 O GLU B 169 -3.751 0.168 -8.803 1.00 0.00 O ATOM 1446 CB GLU B 169 -5.575 -2.248 -9.111 1.00 0.00 C ATOM 1447 CG GLU B 169 -4.866 -3.522 -9.520 1.00 0.00 C ATOM 1448 CD GLU B 169 -5.199 -4.689 -8.611 1.00 0.00 C ATOM 1449 OE1 GLU B 169 -6.367 -4.803 -8.187 1.00 0.00 O ATOM 1450 OE2 GLU B 169 -4.297 -5.501 -8.334 1.00 0.00 O ATOM 0 H GLU B 169 -6.680 -0.258 -7.999 1.00 0.00 H new ATOM 0 HA GLU B 169 -4.835 -2.318 -7.055 1.00 0.00 H new ATOM 0 HB2 GLU B 169 -6.635 -2.468 -8.986 1.00 0.00 H new ATOM 0 HB3 GLU B 169 -5.493 -1.530 -9.927 1.00 0.00 H new ATOM 0 HG2 GLU B 169 -5.140 -3.774 -10.544 1.00 0.00 H new ATOM 0 HG3 GLU B 169 -3.789 -3.354 -9.510 1.00 0.00 H new ATOM 1452 N LEU B 170 -2.647 -1.370 -7.599 1.00 0.00 N ATOM 1453 CA LEU B 170 -1.340 -0.795 -7.890 1.00 0.00 C ATOM 1454 C LEU B 170 -0.785 -1.627 -9.039 1.00 0.00 C ATOM 1455 O LEU B 170 -0.619 -2.838 -8.909 1.00 0.00 O ATOM 1456 CB LEU B 170 -0.394 -0.897 -6.688 1.00 0.00 C ATOM 1457 CG LEU B 170 1.088 -0.635 -7.001 1.00 0.00 C ATOM 1458 CD1 LEU B 170 1.274 0.784 -7.535 1.00 0.00 C ATOM 1459 CD2 LEU B 170 1.927 -0.846 -5.745 1.00 0.00 C ATOM 0 H LEU B 170 -2.629 -2.176 -6.975 1.00 0.00 H new ATOM 0 HA LEU B 170 -1.429 0.264 -8.131 1.00 0.00 H new ATOM 0 HB2 LEU B 170 -0.720 -0.187 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU B 170 -0.487 -1.893 -6.255 1.00 0.00 H new ATOM 0 HG LEU B 170 1.418 -1.336 -7.767 1.00 0.00 H new ATOM 0 HD11 LEU B 170 2.328 0.956 -7.752 1.00 0.00 H new ATOM 0 HD12 LEU B 170 0.690 0.909 -8.447 1.00 0.00 H new ATOM 0 HD13 LEU B 170 0.936 1.501 -6.787 1.00 0.00 H new ATOM 0 HD21 LEU B 170 2.976 -0.659 -5.973 1.00 0.00 H new ATOM 0 HD22 LEU B 170 1.596 -0.158 -4.967 1.00 0.00 H new ATOM 0 HD23 LEU B 170 1.809 -1.872 -5.397 1.00 0.00 H new ATOM 1461 N ALA B 171 -0.508 -0.975 -10.164 1.00 0.00 N ATOM 1462 CA ALA B 171 0.029 -1.662 -11.328 1.00 0.00 C ATOM 1463 C ALA B 171 1.426 -1.139 -11.620 1.00 0.00 C ATOM 1464 O ALA B 171 1.734 0.025 -11.352 1.00 0.00 O ATOM 1465 CB ALA B 171 -0.877 -1.435 -12.534 1.00 0.00 C ATOM 0 H ALA B 171 -0.647 0.027 -10.292 1.00 0.00 H new ATOM 0 HA ALA B 171 0.078 -2.732 -11.126 1.00 0.00 H new ATOM 0 HB1 ALA B 171 -0.466 -1.953 -13.400 1.00 0.00 H new ATOM 0 HB2 ALA B 171 -1.873 -1.821 -12.319 1.00 0.00 H new ATOM 0 HB3 ALA B 171 -0.940 -0.368 -12.746 1.00 0.00 H new ATOM 1467 N ALA B 172 2.273 -2.004 -12.161 1.00 0.00 N ATOM 1468 CA ALA B 172 3.630 -1.612 -12.498 1.00 0.00 C ATOM 1469 C ALA B 172 4.303 -2.670 -13.352 1.00 0.00 C ATOM 1470 O ALA B 172 3.771 -3.762 -13.548 1.00 0.00 O ATOM 1471 CB ALA B 172 4.440 -1.380 -11.223 1.00 0.00 C ATOM 0 H ALA B 172 2.044 -2.975 -12.374 1.00 0.00 H new ATOM 0 HA ALA B 172 3.586 -0.685 -13.070 1.00 0.00 H new ATOM 0 HB1 ALA B 172 5.456 -1.086 -11.486 1.00 0.00 H new ATOM 0 HB2 ALA B 172 3.974 -0.589 -10.635 1.00 0.00 H new ATOM 0 HB3 ALA B 172 4.468 -2.299 -10.637 1.00 0.00 H new ATOM 1473 N GLU B 173 5.470 -2.317 -13.873 1.00 0.00 N ATOM 1474 CA GLU B 173 6.286 -3.214 -14.680 1.00 0.00 C ATOM 1475 C GLU B 173 7.493 -3.482 -13.791 1.00 0.00 C ATOM 1476 O GLU B 173 8.237 -2.563 -13.455 1.00 0.00 O ATOM 1477 CB GLU B 173 6.713 -2.514 -15.974 1.00 0.00 C ATOM 1478 CG GLU B 173 5.587 -2.359 -16.985 1.00 0.00 C ATOM 1479 CD GLU B 173 5.794 -1.178 -17.923 1.00 0.00 C ATOM 1480 OE1 GLU B 173 6.958 -0.856 -18.238 1.00 0.00 O ATOM 1481 OE2 GLU B 173 4.789 -0.579 -18.355 1.00 0.00 O ATOM 0 H GLU B 173 5.881 -1.392 -13.746 1.00 0.00 H new ATOM 0 HA GLU B 173 5.767 -4.125 -14.978 1.00 0.00 H new ATOM 0 HB2 GLU B 173 7.109 -1.528 -15.730 1.00 0.00 H new ATOM 0 HB3 GLU B 173 7.525 -3.079 -16.432 1.00 0.00 H new ATOM 0 HG2 GLU B 173 5.504 -3.273 -17.572 1.00 0.00 H new ATOM 0 HG3 GLU B 173 4.643 -2.234 -16.454 1.00 0.00 H new ATOM 1483 N CYS B 174 7.672 -4.737 -13.389 1.00 0.00 N ATOM 1484 CA CYS B 174 8.775 -5.084 -12.502 1.00 0.00 C ATOM 1485 C CYS B 174 9.763 -6.077 -13.097 1.00 0.00 C ATOM 1486 O CYS B 174 9.389 -6.953 -13.875 1.00 0.00 O ATOM 1487 CB CYS B 174 8.236 -5.672 -11.205 1.00 0.00 C ATOM 1488 SG CYS B 174 7.252 -4.578 -10.128 1.00 0.00 S ATOM 0 H CYS B 174 7.076 -5.520 -13.659 1.00 0.00 H new ATOM 0 HA CYS B 174 9.313 -4.152 -12.330 1.00 0.00 H new ATOM 0 HB2 CYS B 174 7.622 -6.536 -11.458 1.00 0.00 H new ATOM 0 HB3 CYS B 174 9.083 -6.041 -10.626 1.00 0.00 H new ATOM 1490 N LYS B 175 11.024 -5.944 -12.696 1.00 0.00 N ATOM 1491 CA LYS B 175 12.085 -6.828 -13.166 1.00 0.00 C ATOM 1492 C LYS B 175 12.056 -8.192 -12.485 1.00 0.00 C ATOM 1493 O LYS B 175 11.850 -8.295 -11.277 1.00 0.00 O ATOM 1494 CB LYS B 175 13.453 -6.194 -12.913 1.00 0.00 C ATOM 1495 CG LYS B 175 13.786 -5.026 -13.818 1.00 0.00 C ATOM 1496 CD LYS B 175 15.065 -4.325 -13.377 1.00 0.00 C ATOM 1497 CE LYS B 175 16.248 -5.280 -13.341 1.00 0.00 C ATOM 1498 NZ LYS B 175 17.482 -4.595 -12.868 1.00 0.00 N ATOM 0 H LYS B 175 11.337 -5.227 -12.042 1.00 0.00 H new ATOM 0 HA LYS B 175 11.915 -6.972 -14.233 1.00 0.00 H new ATOM 0 HB2 LYS B 175 13.496 -5.857 -11.877 1.00 0.00 H new ATOM 0 HB3 LYS B 175 14.220 -6.959 -13.032 1.00 0.00 H new ATOM 0 HG2 LYS B 175 13.898 -5.379 -14.843 1.00 0.00 H new ATOM 0 HG3 LYS B 175 12.960 -4.315 -13.815 1.00 0.00 H new ATOM 0 HD2 LYS B 175 15.282 -3.502 -14.058 1.00 0.00 H new ATOM 0 HD3 LYS B 175 14.919 -3.890 -12.388 1.00 0.00 H new ATOM 0 HE2 LYS B 175 16.021 -6.119 -12.684 1.00 0.00 H new ATOM 0 HE3 LYS B 175 16.417 -5.691 -14.336 1.00 0.00 H new ATOM 0 HZ1 LYS B 175 18.259 -5.283 -12.806 1.00 0.00 H new ATOM 0 HZ2 LYS B 175 17.739 -3.842 -13.538 1.00 0.00 H new ATOM 0 HZ3 LYS B 175 17.311 -4.180 -11.930 1.00 0.00 H new ATOM 1500 N THR B 176 12.271 -9.238 -13.275 1.00 0.00 N ATOM 1501 CA THR B 176 12.308 -10.600 -12.761 1.00 0.00 C ATOM 1502 C THR B 176 13.751 -10.888 -12.362 1.00 0.00 C ATOM 1503 O THR B 176 14.630 -10.041 -12.531 1.00 0.00 O ATOM 1504 CB THR B 176 11.905 -11.614 -13.838 1.00 0.00 C ATOM 1505 OG1 THR B 176 12.850 -11.555 -14.913 1.00 0.00 O ATOM 1506 CG2 THR B 176 10.518 -11.301 -14.374 1.00 0.00 C ATOM 0 H THR B 176 12.423 -9.166 -14.281 1.00 0.00 H new ATOM 0 HA THR B 176 11.615 -10.690 -11.925 1.00 0.00 H new ATOM 0 HB THR B 176 11.894 -12.611 -13.398 1.00 0.00 H new ATOM 0 HG1 THR B 176 12.599 -12.202 -15.605 1.00 0.00 H new ATOM 0 HG21 THR B 176 10.250 -12.031 -15.137 1.00 0.00 H new ATOM 0 HG22 THR B 176 9.795 -11.345 -13.560 1.00 0.00 H new ATOM 0 HG23 THR B 176 10.513 -10.302 -14.810 1.00 0.00 H new ATOM 1508 N ARG B 177 13.994 -12.082 -11.835 1.00 0.00 N ATOM 1509 CA ARG B 177 15.342 -12.473 -11.440 1.00 0.00 C ATOM 1510 C ARG B 177 16.228 -12.460 -12.683 1.00 0.00 C ATOM 1511 O ARG B 177 17.434 -12.220 -12.600 1.00 0.00 O ATOM 1512 CB ARG B 177 15.325 -13.882 -10.837 1.00 0.00 C ATOM 1513 CG ARG B 177 14.442 -14.032 -9.610 1.00 0.00 C ATOM 1514 CD ARG B 177 15.086 -13.434 -8.369 1.00 0.00 C ATOM 1515 NE ARG B 177 14.228 -13.551 -7.190 1.00 0.00 N ATOM 1516 CZ ARG B 177 13.729 -14.697 -6.733 1.00 0.00 C ATOM 1517 NH1 ARG B 177 13.991 -15.839 -7.355 1.00 0.00 N ATOM 1518 NH2 ARG B 177 12.961 -14.700 -5.650 1.00 0.00 N ATOM 0 H ARG B 177 13.280 -12.792 -11.672 1.00 0.00 H new ATOM 0 HA ARG B 177 15.726 -11.779 -10.693 1.00 0.00 H new ATOM 0 HB2 ARG B 177 14.989 -14.585 -11.599 1.00 0.00 H new ATOM 0 HB3 ARG B 177 16.344 -14.162 -10.572 1.00 0.00 H new ATOM 0 HG2 ARG B 177 13.484 -13.546 -9.791 1.00 0.00 H new ATOM 0 HG3 ARG B 177 14.236 -15.089 -9.438 1.00 0.00 H new ATOM 0 HD2 ARG B 177 16.035 -13.935 -8.177 1.00 0.00 H new ATOM 0 HD3 ARG B 177 15.311 -12.383 -8.549 1.00 0.00 H new ATOM 0 HE ARG B 177 13.996 -12.696 -6.684 1.00 0.00 H new ATOM 0 HH11 ARG B 177 14.578 -15.842 -8.189 1.00 0.00 H new ATOM 0 HH12 ARG B 177 13.605 -16.714 -6.999 1.00 0.00 H new ATOM 0 HH21 ARG B 177 12.754 -13.825 -5.169 1.00 0.00 H new ATOM 0 HH22 ARG B 177 12.578 -15.578 -5.299 1.00 0.00 H new ATOM 1520 N ALA B 178 15.613 -12.718 -13.834 1.00 0.00 N ATOM 1521 CA ALA B 178 16.318 -12.751 -15.110 1.00 0.00 C ATOM 1522 C ALA B 178 16.561 -11.356 -15.679 1.00 0.00 C ATOM 1523 O ALA B 178 17.037 -11.212 -16.806 1.00 0.00 O ATOM 1524 CB ALA B 178 15.536 -13.595 -16.110 1.00 0.00 C ATOM 0 H ALA B 178 14.614 -12.910 -13.907 1.00 0.00 H new ATOM 0 HA ALA B 178 17.296 -13.198 -14.930 1.00 0.00 H new ATOM 0 HB1 ALA B 178 16.067 -13.616 -17.062 1.00 0.00 H new ATOM 0 HB2 ALA B 178 15.435 -14.611 -15.728 1.00 0.00 H new ATOM 0 HB3 ALA B 178 14.546 -13.162 -16.256 1.00 0.00 H new ATOM 1526 N GLN B 179 16.220 -10.336 -14.899 1.00 0.00 N ATOM 1527 CA GLN B 179 16.419 -8.943 -15.293 1.00 0.00 C ATOM 1528 C GLN B 179 15.532 -8.456 -16.437 1.00 0.00 C ATOM 1529 O GLN B 179 15.902 -7.533 -17.164 1.00 0.00 O ATOM 1530 CB GLN B 179 17.887 -8.711 -15.656 1.00 0.00 C ATOM 1531 CG GLN B 179 18.857 -9.127 -14.564 1.00 0.00 C ATOM 1532 CD GLN B 179 18.566 -8.446 -13.242 1.00 0.00 C ATOM 1533 OE1 GLN B 179 18.624 -7.222 -13.136 1.00 0.00 O ATOM 1534 NE2 GLN B 179 18.246 -9.238 -12.225 1.00 0.00 N ATOM 0 H GLN B 179 15.798 -10.449 -13.977 1.00 0.00 H new ATOM 0 HA GLN B 179 16.124 -8.357 -14.423 1.00 0.00 H new ATOM 0 HB2 GLN B 179 18.119 -9.264 -16.566 1.00 0.00 H new ATOM 0 HB3 GLN B 179 18.035 -7.654 -15.878 1.00 0.00 H new ATOM 0 HG2 GLN B 179 18.808 -10.208 -14.431 1.00 0.00 H new ATOM 0 HG3 GLN B 179 19.874 -8.890 -14.876 1.00 0.00 H new ATOM 0 HE21 GLN B 179 18.210 -10.249 -12.357 1.00 0.00 H new ATOM 0 HE22 GLN B 179 18.036 -8.836 -11.311 1.00 0.00 H new ATOM 1536 N GLN B 180 14.364 -9.067 -16.599 1.00 0.00 N ATOM 1537 CA GLN B 180 13.439 -8.663 -17.650 1.00 0.00 C ATOM 1538 C GLN B 180 12.178 -8.102 -17.003 1.00 0.00 C ATOM 1539 O GLN B 180 11.751 -8.586 -15.958 1.00 0.00 O ATOM 1540 CB GLN B 180 13.088 -9.864 -18.531 1.00 0.00 C ATOM 1541 CG GLN B 180 14.298 -10.502 -19.195 1.00 0.00 C ATOM 1542 CD GLN B 180 13.941 -11.724 -20.014 1.00 0.00 C ATOM 1543 OE1 GLN B 180 13.365 -12.684 -19.501 1.00 0.00 O ATOM 1544 NE2 GLN B 180 14.287 -11.700 -21.295 1.00 0.00 N ATOM 0 H GLN B 180 14.037 -9.840 -16.019 1.00 0.00 H new ATOM 0 HA GLN B 180 13.902 -7.901 -18.276 1.00 0.00 H new ATOM 0 HB2 GLN B 180 12.579 -10.613 -17.925 1.00 0.00 H new ATOM 0 HB3 GLN B 180 12.386 -9.547 -19.302 1.00 0.00 H new ATOM 0 HG2 GLN B 180 14.783 -9.768 -19.838 1.00 0.00 H new ATOM 0 HG3 GLN B 180 15.021 -10.782 -18.429 1.00 0.00 H new ATOM 0 HE21 GLN B 180 14.763 -10.884 -21.679 1.00 0.00 H new ATOM 0 HE22 GLN B 180 14.077 -12.498 -21.895 1.00 0.00 H new ATOM 1546 N PHE B 181 11.590 -7.076 -17.614 1.00 0.00 N ATOM 1547 CA PHE B 181 10.377 -6.472 -17.066 1.00 0.00 C ATOM 1548 C PHE B 181 9.103 -7.194 -17.485 1.00 0.00 C ATOM 1549 O PHE B 181 8.919 -7.529 -18.657 1.00 0.00 O ATOM 1550 CB PHE B 181 10.262 -5.000 -17.478 1.00 0.00 C ATOM 1551 CG PHE B 181 11.142 -4.075 -16.690 1.00 0.00 C ATOM 1552 CD1 PHE B 181 12.477 -3.898 -17.034 1.00 0.00 C ATOM 1553 CD2 PHE B 181 10.630 -3.369 -15.606 1.00 0.00 C ATOM 1554 CE1 PHE B 181 13.290 -3.026 -16.309 1.00 0.00 C ATOM 1555 CE2 PHE B 181 11.434 -2.497 -14.874 1.00 0.00 C ATOM 1556 CZ PHE B 181 12.765 -2.325 -15.228 1.00 0.00 C ATOM 0 H PHE B 181 11.928 -6.650 -18.477 1.00 0.00 H new ATOM 0 HA PHE B 181 10.473 -6.558 -15.984 1.00 0.00 H new ATOM 0 HB2 PHE B 181 10.511 -4.909 -18.535 1.00 0.00 H new ATOM 0 HB3 PHE B 181 9.225 -4.682 -17.366 1.00 0.00 H new ATOM 0 HD1 PHE B 181 12.889 -4.441 -17.871 1.00 0.00 H new ATOM 0 HD2 PHE B 181 9.595 -3.499 -15.328 1.00 0.00 H new ATOM 0 HE1 PHE B 181 14.325 -2.895 -16.587 1.00 0.00 H new ATOM 0 HE2 PHE B 181 11.023 -1.957 -14.034 1.00 0.00 H new ATOM 0 HZ PHE B 181 13.392 -1.649 -14.666 1.00 0.00 H new ATOM 1558 N VAL B 182 8.232 -7.438 -16.511 1.00 0.00 N ATOM 1559 CA VAL B 182 6.956 -8.096 -16.755 1.00 0.00 C ATOM 1560 C VAL B 182 5.873 -7.277 -16.059 1.00 0.00 C ATOM 1561 O VAL B 182 6.158 -6.504 -15.140 1.00 0.00 O ATOM 1562 CB VAL B 182 6.943 -9.547 -16.208 1.00 0.00 C ATOM 1563 CG1 VAL B 182 7.983 -10.383 -16.937 1.00 0.00 C ATOM 1564 CG2 VAL B 182 7.214 -9.549 -14.716 1.00 0.00 C ATOM 0 H VAL B 182 8.391 -7.186 -15.535 1.00 0.00 H new ATOM 0 HA VAL B 182 6.782 -8.154 -17.829 1.00 0.00 H new ATOM 0 HB VAL B 182 5.958 -9.982 -16.380 1.00 0.00 H new ATOM 0 HG11 VAL B 182 7.969 -11.401 -16.548 1.00 0.00 H new ATOM 0 HG12 VAL B 182 7.755 -10.398 -18.003 1.00 0.00 H new ATOM 0 HG13 VAL B 182 8.971 -9.950 -16.783 1.00 0.00 H new ATOM 0 HG21 VAL B 182 7.202 -10.574 -14.345 1.00 0.00 H new ATOM 0 HG22 VAL B 182 8.190 -9.105 -14.523 1.00 0.00 H new ATOM 0 HG23 VAL B 182 6.445 -8.970 -14.206 1.00 0.00 H new ATOM 1566 N SER B 183 4.631 -7.443 -16.503 1.00 0.00 N ATOM 1567 CA SER B 183 3.508 -6.718 -15.923 1.00 0.00 C ATOM 1568 C SER B 183 3.030 -7.384 -14.639 1.00 0.00 C ATOM 1569 O SER B 183 2.944 -8.608 -14.558 1.00 0.00 O ATOM 1570 CB SER B 183 2.343 -6.651 -16.918 1.00 0.00 C ATOM 1571 OG SER B 183 2.708 -5.954 -18.096 1.00 0.00 O ATOM 0 H SER B 183 4.378 -8.074 -17.263 1.00 0.00 H new ATOM 0 HA SER B 183 3.851 -5.709 -15.692 1.00 0.00 H new ATOM 0 HB2 SER B 183 2.024 -7.661 -17.175 1.00 0.00 H new ATOM 0 HB3 SER B 183 1.491 -6.157 -16.450 1.00 0.00 H new ATOM 0 HG SER B 183 1.946 -5.930 -18.711 1.00 0.00 H new ATOM 1573 N THR B 184 2.720 -6.572 -13.637 1.00 0.00 N ATOM 1574 CA THR B 184 2.239 -7.093 -12.366 1.00 0.00 C ATOM 1575 C THR B 184 1.313 -6.090 -11.691 1.00 0.00 C ATOM 1576 O THR B 184 1.320 -4.904 -12.018 1.00 0.00 O ATOM 1577 CB THR B 184 3.418 -7.425 -11.418 1.00 0.00 C ATOM 1578 OG1 THR B 184 2.913 -7.946 -10.183 1.00 0.00 O ATOM 1579 CG2 THR B 184 4.251 -6.185 -11.132 1.00 0.00 C ATOM 0 H THR B 184 2.793 -5.555 -13.680 1.00 0.00 H new ATOM 0 HA THR B 184 1.687 -8.009 -12.574 1.00 0.00 H new ATOM 0 HB THR B 184 4.049 -8.167 -11.907 1.00 0.00 H new ATOM 0 HG1 THR B 184 2.833 -8.921 -10.247 1.00 0.00 H new ATOM 0 HG21 THR B 184 5.072 -6.445 -10.464 1.00 0.00 H new ATOM 0 HG22 THR B 184 4.653 -5.793 -12.066 1.00 0.00 H new ATOM 0 HG23 THR B 184 3.625 -5.427 -10.660 1.00 0.00 H new ATOM 1581 N LYS B 185 0.497 -6.573 -10.762 1.00 0.00 N ATOM 1582 CA LYS B 185 -0.403 -5.698 -10.036 1.00 0.00 C ATOM 1583 C LYS B 185 -0.727 -6.314 -8.688 1.00 0.00 C ATOM 1584 O LYS B 185 -0.545 -7.516 -8.480 1.00 0.00 O ATOM 1585 CB LYS B 185 -1.685 -5.439 -10.840 1.00 0.00 C ATOM 1586 CG LYS B 185 -2.552 -6.660 -11.083 1.00 0.00 C ATOM 1587 CD LYS B 185 -3.668 -6.323 -12.068 1.00 0.00 C ATOM 1588 CE LYS B 185 -4.597 -7.499 -12.306 1.00 0.00 C ATOM 1589 NZ LYS B 185 -5.391 -7.844 -11.096 1.00 0.00 N ATOM 0 H LYS B 185 0.443 -7.557 -10.498 1.00 0.00 H new ATOM 0 HA LYS B 185 0.086 -4.737 -9.881 1.00 0.00 H new ATOM 0 HB2 LYS B 185 -2.279 -4.690 -10.316 1.00 0.00 H new ATOM 0 HB3 LYS B 185 -1.410 -5.011 -11.804 1.00 0.00 H new ATOM 0 HG2 LYS B 185 -1.944 -7.475 -11.475 1.00 0.00 H new ATOM 0 HG3 LYS B 185 -2.979 -7.005 -10.142 1.00 0.00 H new ATOM 0 HD2 LYS B 185 -4.243 -5.479 -11.688 1.00 0.00 H new ATOM 0 HD3 LYS B 185 -3.231 -6.010 -13.016 1.00 0.00 H new ATOM 0 HE2 LYS B 185 -5.274 -7.264 -13.127 1.00 0.00 H new ATOM 0 HE3 LYS B 185 -4.012 -8.366 -12.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 185 -6.105 -8.560 -11.341 1.00 0.00 H new ATOM 0 HZ2 LYS B 185 -4.759 -8.223 -10.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 185 -5.865 -6.991 -10.737 1.00 0.00 H new ATOM 1591 N ILE B 186 -1.192 -5.475 -7.774 1.00 0.00 N ATOM 1592 CA ILE B 186 -1.531 -5.917 -6.432 1.00 0.00 C ATOM 1593 C ILE B 186 -2.687 -5.060 -5.939 1.00 0.00 C ATOM 1594 O ILE B 186 -2.720 -3.853 -6.185 1.00 0.00 O ATOM 1595 CB ILE B 186 -0.294 -5.784 -5.506 1.00 0.00 C ATOM 1596 CG1 ILE B 186 -0.598 -6.370 -4.129 1.00 0.00 C ATOM 1597 CG2 ILE B 186 0.140 -4.329 -5.413 1.00 0.00 C ATOM 1598 CD1 ILE B 186 0.637 -6.510 -3.256 1.00 0.00 C ATOM 0 H ILE B 186 -1.343 -4.480 -7.940 1.00 0.00 H new ATOM 0 HA ILE B 186 -1.829 -6.965 -6.429 1.00 0.00 H new ATOM 0 HB ILE B 186 0.534 -6.351 -5.932 1.00 0.00 H new ATOM 0 HG12 ILE B 186 -1.324 -5.734 -3.622 1.00 0.00 H new ATOM 0 HG13 ILE B 186 -1.062 -7.349 -4.251 1.00 0.00 H new ATOM 0 HG21 ILE B 186 1.009 -4.250 -4.760 1.00 0.00 H new ATOM 0 HG22 ILE B 186 0.398 -3.962 -6.406 1.00 0.00 H new ATOM 0 HG23 ILE B 186 -0.676 -3.731 -5.006 1.00 0.00 H new ATOM 0 HD11 ILE B 186 0.355 -6.932 -2.291 1.00 0.00 H new ATOM 0 HD12 ILE B 186 1.355 -7.169 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE B 186 1.089 -5.530 -3.105 1.00 0.00 H new ATOM 1600 N ASN B 187 -3.651 -5.685 -5.268 1.00 0.00 N ATOM 1601 CA ASN B 187 -4.814 -4.960 -4.767 1.00 0.00 C ATOM 1602 C ASN B 187 -4.510 -4.292 -3.432 1.00 0.00 C ATOM 1603 O ASN B 187 -4.371 -4.963 -2.407 1.00 0.00 O ATOM 1604 CB ASN B 187 -6.001 -5.908 -4.597 1.00 0.00 C ATOM 1605 CG ASN B 187 -7.317 -5.171 -4.443 1.00 0.00 C ATOM 1606 OD1 ASN B 187 -7.345 -3.998 -4.072 1.00 0.00 O ATOM 1607 ND2 ASN B 187 -8.418 -5.857 -4.721 1.00 0.00 N ATOM 0 H ASN B 187 -3.650 -6.684 -5.060 1.00 0.00 H new ATOM 0 HA ASN B 187 -5.064 -4.190 -5.498 1.00 0.00 H new ATOM 0 HB2 ASN B 187 -6.059 -6.571 -5.460 1.00 0.00 H new ATOM 0 HB3 ASN B 187 -5.837 -6.537 -3.722 1.00 0.00 H new ATOM 0 HD21 ASN B 187 -9.332 -5.413 -4.630 1.00 0.00 H new ATOM 0 HD22 ASN B 187 -8.351 -6.828 -5.026 1.00 0.00 H new ATOM 1609 N LEU B 188 -4.418 -2.968 -3.444 1.00 0.00 N ATOM 1610 CA LEU B 188 -4.120 -2.231 -2.227 1.00 0.00 C ATOM 1611 C LEU B 188 -5.217 -2.377 -1.174 1.00 0.00 C ATOM 1612 O LEU B 188 -4.968 -2.162 0.010 1.00 0.00 O ATOM 1613 CB LEU B 188 -3.862 -0.755 -2.556 1.00 0.00 C ATOM 1614 CG LEU B 188 -2.652 -0.516 -3.477 1.00 0.00 C ATOM 1615 CD1 LEU B 188 -2.480 0.976 -3.710 1.00 0.00 C ATOM 1616 CD2 LEU B 188 -1.385 -1.111 -2.871 1.00 0.00 C ATOM 0 H LEU B 188 -4.544 -2.389 -4.275 1.00 0.00 H new ATOM 0 HA LEU B 188 -3.217 -2.661 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU B 188 -4.752 -0.339 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU B 188 -3.710 -0.208 -1.625 1.00 0.00 H new ATOM 0 HG LEU B 188 -2.831 -1.011 -4.432 1.00 0.00 H new ATOM 0 HD11 LEU B 188 -1.623 1.146 -4.362 1.00 0.00 H new ATOM 0 HD12 LEU B 188 -3.378 1.377 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU B 188 -2.315 1.477 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU B 188 -0.543 -0.930 -3.539 1.00 0.00 H new ATOM 0 HD22 LEU B 188 -1.189 -0.644 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU B 188 -1.516 -2.184 -2.735 1.00 0.00 H new ATOM 1618 N ASP B 189 -6.427 -2.753 -1.584 1.00 0.00 N ATOM 1619 CA ASP B 189 -7.499 -2.942 -0.608 1.00 0.00 C ATOM 1620 C ASP B 189 -7.199 -4.129 0.312 1.00 0.00 C ATOM 1621 O ASP B 189 -7.865 -4.311 1.332 1.00 0.00 O ATOM 1622 CB ASP B 189 -8.853 -3.174 -1.290 1.00 0.00 C ATOM 1623 CG ASP B 189 -9.573 -1.884 -1.634 1.00 0.00 C ATOM 1624 OD1 ASP B 189 -9.316 -0.851 -0.982 1.00 0.00 O ATOM 1625 OD2 ASP B 189 -10.421 -1.908 -2.550 1.00 0.00 O ATOM 0 H ASP B 189 -6.686 -2.928 -2.555 1.00 0.00 H new ATOM 0 HA ASP B 189 -7.552 -2.026 -0.020 1.00 0.00 H new ATOM 0 HB2 ASP B 189 -8.700 -3.752 -2.201 1.00 0.00 H new ATOM 0 HB3 ASP B 189 -9.486 -3.773 -0.635 1.00 0.00 H new ATOM 1627 N ASP B 190 -6.203 -4.939 -0.043 1.00 0.00 N ATOM 1628 CA ASP B 190 -5.836 -6.089 0.783 1.00 0.00 C ATOM 1629 C ASP B 190 -5.362 -5.669 2.174 1.00 0.00 C ATOM 1630 O ASP B 190 -5.708 -6.302 3.173 1.00 0.00 O ATOM 1631 CB ASP B 190 -4.688 -6.891 0.159 1.00 0.00 C ATOM 1632 CG ASP B 190 -5.074 -7.618 -1.108 1.00 0.00 C ATOM 1633 OD1 ASP B 190 -6.272 -7.676 -1.455 1.00 0.00 O ATOM 1634 OD2 ASP B 190 -4.140 -8.151 -1.751 1.00 0.00 O ATOM 0 H ASP B 190 -5.641 -4.823 -0.887 1.00 0.00 H new ATOM 0 HA ASP B 190 -6.742 -6.692 0.852 1.00 0.00 H new ATOM 0 HB2 ASP B 190 -3.860 -6.216 -0.058 1.00 0.00 H new ATOM 0 HB3 ASP B 190 -4.325 -7.616 0.887 1.00 0.00 H new ATOM 1636 N HIS B 191 -4.567 -4.602 2.228 1.00 0.00 N ATOM 1637 CA HIS B 191 -3.980 -4.149 3.488 1.00 0.00 C ATOM 1638 C HIS B 191 -4.021 -2.654 3.803 1.00 0.00 C ATOM 1639 O HIS B 191 -3.584 -2.243 4.878 1.00 0.00 O ATOM 1640 CB HIS B 191 -2.522 -4.613 3.549 1.00 0.00 C ATOM 1641 CG HIS B 191 -2.360 -6.090 3.728 1.00 0.00 C ATOM 1642 ND1 HIS B 191 -2.457 -6.705 4.957 1.00 0.00 N ATOM 1643 CD2 HIS B 191 -2.112 -7.075 2.832 1.00 0.00 C ATOM 1644 CE1 HIS B 191 -2.274 -8.006 4.812 1.00 0.00 C ATOM 1645 NE2 HIS B 191 -2.064 -8.257 3.532 1.00 0.00 N ATOM 0 H HIS B 191 -4.315 -4.037 1.417 1.00 0.00 H new ATOM 0 HA HIS B 191 -4.624 -4.598 4.245 1.00 0.00 H new ATOM 0 HB2 HIS B 191 -2.017 -4.311 2.632 1.00 0.00 H new ATOM 0 HB3 HIS B 191 -2.023 -4.101 4.371 1.00 0.00 H new ATOM 0 HD1 HIS B 191 -2.641 -6.230 5.841 1.00 0.00 H new ATOM 0 HD2 HIS B 191 -1.977 -6.954 1.767 1.00 0.00 H new ATOM 0 HE1 HIS B 191 -2.293 -8.739 5.605 1.00 0.00 H new ATOM 1647 N ILE B 192 -4.515 -1.832 2.884 1.00 0.00 N ATOM 1648 CA ILE B 192 -4.577 -0.401 3.153 1.00 0.00 C ATOM 1649 C ILE B 192 -5.993 -0.036 3.564 1.00 0.00 C ATOM 1650 O ILE B 192 -6.949 -0.210 2.798 1.00 0.00 O ATOM 1651 CB ILE B 192 -4.158 0.430 1.926 1.00 0.00 C ATOM 1652 CG1 ILE B 192 -2.771 -0.011 1.444 1.00 0.00 C ATOM 1653 CG2 ILE B 192 -4.143 1.908 2.291 1.00 0.00 C ATOM 1654 CD1 ILE B 192 -1.689 0.056 2.505 1.00 0.00 C ATOM 0 H ILE B 192 -4.869 -2.120 1.972 1.00 0.00 H new ATOM 0 HA ILE B 192 -3.878 -0.172 3.957 1.00 0.00 H new ATOM 0 HB ILE B 192 -4.875 0.270 1.120 1.00 0.00 H new ATOM 0 HG12 ILE B 192 -2.837 -1.034 1.073 1.00 0.00 H new ATOM 0 HG13 ILE B 192 -2.476 0.615 0.602 1.00 0.00 H new ATOM 0 HG21 ILE B 192 -3.846 2.495 1.421 1.00 0.00 H new ATOM 0 HG22 ILE B 192 -5.139 2.214 2.612 1.00 0.00 H new ATOM 0 HG23 ILE B 192 -3.433 2.076 3.101 1.00 0.00 H new ATOM 0 HD11 ILE B 192 -0.741 -0.273 2.079 1.00 0.00 H new ATOM 0 HD12 ILE B 192 -1.591 1.082 2.860 1.00 0.00 H new ATOM 0 HD13 ILE B 192 -1.957 -0.593 3.339 1.00 0.00 H new ATOM 1656 N ALA B 193 -6.120 0.462 4.785 1.00 0.00 N ATOM 1657 CA ALA B 193 -7.417 0.827 5.319 1.00 0.00 C ATOM 1658 C ALA B 193 -7.563 2.314 5.586 1.00 0.00 C ATOM 1659 O ALA B 193 -6.577 3.051 5.689 1.00 0.00 O ATOM 1660 CB ALA B 193 -7.667 0.053 6.607 1.00 0.00 C ATOM 0 H ALA B 193 -5.339 0.621 5.422 1.00 0.00 H new ATOM 0 HA ALA B 193 -8.155 0.571 4.559 1.00 0.00 H new ATOM 0 HB1 ALA B 193 -8.642 0.325 7.012 1.00 0.00 H new ATOM 0 HB2 ALA B 193 -7.646 -1.017 6.399 1.00 0.00 H new ATOM 0 HB3 ALA B 193 -6.892 0.296 7.334 1.00 0.00 H new ATOM 1662 N ASN B 194 -8.817 2.746 5.684 1.00 0.00 N ATOM 1663 CA ASN B 194 -9.138 4.126 6.000 1.00 0.00 C ATOM 1664 C ASN B 194 -9.488 4.133 7.483 1.00 0.00 C ATOM 1665 O ASN B 194 -10.575 3.704 7.875 1.00 0.00 O ATOM 1666 CB ASN B 194 -10.340 4.616 5.185 1.00 0.00 C ATOM 1667 CG ASN B 194 -10.899 5.923 5.711 1.00 0.00 C ATOM 1668 OD1 ASN B 194 -10.222 6.649 6.436 1.00 0.00 O ATOM 1669 ND2 ASN B 194 -12.136 6.235 5.341 1.00 0.00 N ATOM 0 H ASN B 194 -9.633 2.149 5.547 1.00 0.00 H new ATOM 0 HA ASN B 194 -8.303 4.786 5.764 1.00 0.00 H new ATOM 0 HB2 ASN B 194 -10.042 4.744 4.144 1.00 0.00 H new ATOM 0 HB3 ASN B 194 -11.121 3.856 5.202 1.00 0.00 H new ATOM 0 HD21 ASN B 194 -12.559 7.107 5.660 1.00 0.00 H new ATOM 0 HD22 ASN B 194 -12.663 5.603 4.738 1.00 0.00 H new ATOM 1671 N ILE B 195 -8.552 4.590 8.306 1.00 0.00 N ATOM 1672 CA ILE B 195 -8.779 4.656 9.744 1.00 0.00 C ATOM 1673 C ILE B 195 -9.128 6.099 10.091 1.00 0.00 C ATOM 1674 O ILE B 195 -8.246 6.950 10.219 1.00 0.00 O ATOM 1675 CB ILE B 195 -7.522 4.225 10.543 1.00 0.00 C ATOM 1676 CG1 ILE B 195 -7.053 2.836 10.094 1.00 0.00 C ATOM 1677 CG2 ILE B 195 -7.838 4.208 12.037 1.00 0.00 C ATOM 1678 CD1 ILE B 195 -8.041 1.714 10.353 1.00 0.00 C ATOM 0 H ILE B 195 -7.634 4.918 8.005 1.00 0.00 H new ATOM 0 HA ILE B 195 -9.586 3.974 10.011 1.00 0.00 H new ATOM 0 HB ILE B 195 -6.724 4.942 10.352 1.00 0.00 H new ATOM 0 HG12 ILE B 195 -6.835 2.870 9.027 1.00 0.00 H new ATOM 0 HG13 ILE B 195 -6.118 2.602 10.603 1.00 0.00 H new ATOM 0 HG21 ILE B 195 -6.951 3.904 12.593 1.00 0.00 H new ATOM 0 HG22 ILE B 195 -8.143 5.205 12.356 1.00 0.00 H new ATOM 0 HG23 ILE B 195 -8.646 3.503 12.230 1.00 0.00 H new ATOM 0 HD11 ILE B 195 -7.621 0.771 10.002 1.00 0.00 H new ATOM 0 HD12 ILE B 195 -8.242 1.646 11.422 1.00 0.00 H new ATOM 0 HD13 ILE B 195 -8.970 1.918 9.821 1.00 0.00 H new ATOM 1680 N ASP B 196 -10.425 6.360 10.216 1.00 0.00 N ATOM 1681 CA ASP B 196 -10.950 7.680 10.544 1.00 0.00 C ATOM 1682 C ASP B 196 -10.366 8.806 9.691 1.00 0.00 C ATOM 1683 O ASP B 196 -9.977 9.859 10.206 1.00 0.00 O ATOM 1684 CB ASP B 196 -10.744 7.969 12.035 1.00 0.00 C ATOM 1685 CG ASP B 196 -11.463 9.225 12.495 1.00 0.00 C ATOM 1686 OD1 ASP B 196 -12.541 9.537 11.946 1.00 0.00 O ATOM 1687 OD2 ASP B 196 -10.957 9.895 13.423 1.00 0.00 O ATOM 0 H ASP B 196 -11.149 5.653 10.091 1.00 0.00 H new ATOM 0 HA ASP B 196 -12.015 7.656 10.313 1.00 0.00 H new ATOM 0 HB2 ASP B 196 -11.098 7.119 12.618 1.00 0.00 H new ATOM 0 HB3 ASP B 196 -9.678 8.071 12.237 1.00 0.00 H new ATOM 1689 N GLY B 197 -10.308 8.572 8.382 1.00 0.00 N ATOM 1690 CA GLY B 197 -9.810 9.582 7.464 1.00 0.00 C ATOM 1691 C GLY B 197 -8.341 9.526 7.087 1.00 0.00 C ATOM 1692 O GLY B 197 -7.893 10.318 6.259 1.00 0.00 O ATOM 0 H GLY B 197 -10.598 7.699 7.941 1.00 0.00 H new ATOM 0 HA2 GLY B 197 -10.395 9.520 6.546 1.00 0.00 H new ATOM 0 HA3 GLY B 197 -10.007 10.560 7.902 1.00 0.00 H new ATOM 1694 N THR B 198 -7.592 8.601 7.676 1.00 0.00 N ATOM 1695 CA THR B 198 -6.167 8.479 7.381 1.00 0.00 C ATOM 1696 C THR B 198 -5.818 7.091 6.847 1.00 0.00 C ATOM 1697 O THR B 198 -6.259 6.075 7.388 1.00 0.00 O ATOM 1698 CB THR B 198 -5.315 8.766 8.646 1.00 0.00 C ATOM 1699 OG1 THR B 198 -5.472 10.139 9.022 1.00 0.00 O ATOM 1700 CG2 THR B 198 -3.841 8.485 8.388 1.00 0.00 C ATOM 0 H THR B 198 -7.944 7.928 8.357 1.00 0.00 H new ATOM 0 HA THR B 198 -5.938 9.217 6.612 1.00 0.00 H new ATOM 0 HB THR B 198 -5.659 8.112 9.447 1.00 0.00 H new ATOM 0 HG1 THR B 198 -4.936 10.323 9.822 1.00 0.00 H new ATOM 0 HG21 THR B 198 -3.267 8.694 9.291 1.00 0.00 H new ATOM 0 HG22 THR B 198 -3.713 7.438 8.111 1.00 0.00 H new ATOM 0 HG23 THR B 198 -3.486 9.121 7.577 1.00 0.00 H new ATOM 1702 N LEU B 199 -5.028 7.056 5.777 1.00 0.00 N ATOM 1703 CA LEU B 199 -4.617 5.788 5.184 1.00 0.00 C ATOM 1704 C LEU B 199 -3.589 5.108 6.073 1.00 0.00 C ATOM 1705 O LEU B 199 -2.573 5.705 6.431 1.00 0.00 O ATOM 1706 CB LEU B 199 -3.994 6.011 3.804 1.00 0.00 C ATOM 1707 CG LEU B 199 -4.901 6.556 2.704 1.00 0.00 C ATOM 1708 CD1 LEU B 199 -4.065 6.864 1.470 1.00 0.00 C ATOM 1709 CD2 LEU B 199 -5.987 5.540 2.379 1.00 0.00 C ATOM 0 H LEU B 199 -4.663 7.884 5.307 1.00 0.00 H new ATOM 0 HA LEU B 199 -5.503 5.161 5.085 1.00 0.00 H new ATOM 0 HB2 LEU B 199 -3.155 6.697 3.920 1.00 0.00 H new ATOM 0 HB3 LEU B 199 -3.583 5.061 3.462 1.00 0.00 H new ATOM 0 HG LEU B 199 -5.381 7.474 3.043 1.00 0.00 H new ATOM 0 HD11 LEU B 199 -4.709 7.254 0.682 1.00 0.00 H new ATOM 0 HD12 LEU B 199 -3.308 7.607 1.720 1.00 0.00 H new ATOM 0 HD13 LEU B 199 -3.578 5.952 1.123 1.00 0.00 H new ATOM 0 HD21 LEU B 199 -6.631 5.935 1.593 1.00 0.00 H new ATOM 0 HD22 LEU B 199 -5.527 4.612 2.039 1.00 0.00 H new ATOM 0 HD23 LEU B 199 -6.581 5.345 3.272 1.00 0.00 H new ATOM 1711 N LYS B 200 -3.846 3.849 6.416 1.00 0.00 N ATOM 1712 CA LYS B 200 -2.932 3.099 7.263 1.00 0.00 C ATOM 1713 C LYS B 200 -2.823 1.648 6.829 1.00 0.00 C ATOM 1714 O LYS B 200 -3.806 1.038 6.410 1.00 0.00 O ATOM 1715 CB LYS B 200 -3.396 3.150 8.720 1.00 0.00 C ATOM 1716 CG LYS B 200 -3.324 4.531 9.347 1.00 0.00 C ATOM 1717 CD LYS B 200 -3.695 4.486 10.818 1.00 0.00 C ATOM 1718 CE LYS B 200 -3.484 5.834 11.477 1.00 0.00 C ATOM 1719 NZ LYS B 200 -2.060 6.269 11.398 1.00 0.00 N ATOM 0 H LYS B 200 -4.674 3.332 6.121 1.00 0.00 H new ATOM 0 HA LYS B 200 -1.950 3.563 7.167 1.00 0.00 H new ATOM 0 HB2 LYS B 200 -4.424 2.791 8.775 1.00 0.00 H new ATOM 0 HB3 LYS B 200 -2.787 2.464 9.308 1.00 0.00 H new ATOM 0 HG2 LYS B 200 -2.317 4.932 9.235 1.00 0.00 H new ATOM 0 HG3 LYS B 200 -3.997 5.208 8.820 1.00 0.00 H new ATOM 0 HD2 LYS B 200 -4.737 4.185 10.924 1.00 0.00 H new ATOM 0 HD3 LYS B 200 -3.093 3.732 11.325 1.00 0.00 H new ATOM 0 HE2 LYS B 200 -4.119 6.578 10.996 1.00 0.00 H new ATOM 0 HE3 LYS B 200 -3.791 5.781 12.522 1.00 0.00 H new ATOM 0 HZ1 LYS B 200 -1.882 7.005 12.111 1.00 0.00 H new ATOM 0 HZ2 LYS B 200 -1.438 5.455 11.578 1.00 0.00 H new ATOM 0 HZ3 LYS B 200 -1.866 6.651 10.450 1.00 0.00 H new ATOM 1721 N TYR B 201 -1.615 1.109 6.928 1.00 0.00 N ATOM 1722 CA TYR B 201 -1.361 -0.279 6.584 1.00 0.00 C ATOM 1723 C TYR B 201 -1.732 -1.156 7.777 1.00 0.00 C ATOM 1724 O TYR B 201 -1.551 -0.762 8.930 1.00 0.00 O ATOM 1725 CB TYR B 201 0.123 -0.479 6.264 1.00 0.00 C ATOM 1726 CG TYR B 201 0.530 -1.932 6.189 1.00 0.00 C ATOM 1727 CD1 TYR B 201 0.339 -2.672 5.024 1.00 0.00 C ATOM 1728 CD2 TYR B 201 1.055 -2.582 7.304 1.00 0.00 C ATOM 1729 CE1 TYR B 201 0.657 -4.027 4.974 1.00 0.00 C ATOM 1730 CE2 TYR B 201 1.373 -3.935 7.265 1.00 0.00 C ATOM 1731 CZ TYR B 201 1.171 -4.651 6.098 1.00 0.00 C ATOM 1732 OH TYR B 201 1.465 -5.994 6.066 1.00 0.00 O ATOM 0 H TYR B 201 -0.791 1.619 7.247 1.00 0.00 H new ATOM 0 HA TYR B 201 -1.955 -0.549 5.711 1.00 0.00 H new ATOM 0 HB2 TYR B 201 0.350 0.004 5.314 1.00 0.00 H new ATOM 0 HB3 TYR B 201 0.722 0.020 7.026 1.00 0.00 H new ATOM 0 HD1 TYR B 201 -0.062 -2.187 4.146 1.00 0.00 H new ATOM 0 HD2 TYR B 201 1.218 -2.025 8.215 1.00 0.00 H new ATOM 0 HE1 TYR B 201 0.504 -4.588 4.064 1.00 0.00 H new ATOM 0 HE2 TYR B 201 1.775 -4.424 8.140 1.00 0.00 H new ATOM 0 HH TYR B 201 2.098 -6.173 5.339 1.00 0.00 H new ATOM 1734 N GLU B 202 -2.263 -2.338 7.494 1.00 0.00 N ATOM 1735 CA GLU B 202 -2.610 -3.282 8.545 1.00 0.00 C ATOM 1736 C GLU B 202 -2.537 -4.695 7.978 1.00 0.00 C ATOM 1737 O GLU B 202 -1.909 -5.571 8.569 1.00 0.00 O ATOM 1738 CB GLU B 202 -4.014 -2.995 9.089 1.00 0.00 C ATOM 1739 CG GLU B 202 -5.119 -3.092 8.056 1.00 0.00 C ATOM 1740 CD GLU B 202 -6.498 -2.851 8.642 1.00 0.00 C ATOM 1741 OE1 GLU B 202 -6.589 -2.378 9.797 1.00 0.00 O ATOM 1742 OE2 GLU B 202 -7.492 -3.129 7.943 1.00 0.00 O ATOM 1743 OXT GLU B 202 -3.114 -4.948 6.923 1.00 0.00 O ATOM 0 H GLU B 202 -2.462 -2.664 6.548 1.00 0.00 H new ATOM 0 HA GLU B 202 -1.907 -3.180 9.371 1.00 0.00 H new ATOM 0 HB2 GLU B 202 -4.227 -3.694 9.897 1.00 0.00 H new ATOM 0 HB3 GLU B 202 -4.025 -1.995 9.522 1.00 0.00 H new ATOM 0 HG2 GLU B 202 -4.934 -2.366 7.264 1.00 0.00 H new ATOM 0 HG3 GLU B 202 -5.093 -4.079 7.595 1.00 0.00 H new TER 1745 GLU B 202 CONECT 66 179 CONECT 179 66 CONECT 494 616 CONECT 616 494 CONECT 939 1052 CONECT 1052 939 CONECT 1367 1488 CONECT 1488 1367 END