USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1060 hydrogens (0 hets) HEADER SIGNALING PROTEIN INHIBITOR 11-MAY-00 1EZT TITLE HIGH-RESOLUTION SOLUTION STRUCTURE OF FREE RGS4 BY NMR COMPND MOL_ID: 1; COMPND 2 MOLECULE: REGULATOR OF G-PROTEIN SIGNALING 4; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CORE RGS DOMAIN; COMPND 5 SYNONYM: RGS4; COMPND 6 ENGINEERED: YES; COMPND 7 OTHER_DETAILS: SIX RESIDUE HISTIDINE TAG AT C-TERMINUS SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 ORGAN: BRAIN; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PRGS4 KEYWDS 4-HELIX-BUNDLE, FREE FORM OF PROTEIN, SIGNALING PROTEIN KEYWDS 2 INHIBITOR EXPDTA SOLUTION NMR AUTHOR F.J.MOY,P.K.CHANDA,M.I.COCKETT,W.EDRIS,P.G.JONES,K.MASON, AUTHOR 2 S.SEMUS,R.POWERS REVDAT 3 24-FEB-09 1EZT 1 VERSN REVDAT 2 01-APR-03 1EZT 1 JRNL REVDAT 1 15-JAN-01 1EZT 0 JRNL AUTH F.J.MOY,P.K.CHANDA,M.I.COCKETT,W.EDRIS,P.G.JONES, JRNL AUTH 2 K.MASON,S.SEMUS,R.POWERS JRNL TITL NMR STRUCTURE OF FREE RGS4 REVEALS AN INDUCED JRNL TITL 2 CONFORMATIONAL CHANGE UPON BINDING GALPHA. JRNL REF BIOCHEMISTRY V. 39 7063 2000 JRNL REFN ISSN 0006-2960 JRNL PMID 10852703 JRNL DOI 10.1021/BI992760W REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH F.J.MOY,P.K.CHANDA,M.I.COCKETT,W.EDRIS,P.G.JONES, REMARK 1 AUTH 2 R.POWERS REMARK 1 TITL 1H, 15N, 13C, AND 13CO ASSIGNMENTS AND SECONDARY REMARK 1 TITL 2 STRUCTURE DETERMINATION OF RGS4 REMARK 1 REF J.BIOMOL.NMR V. 15 339 1999 REMARK 1 REFN ISSN 0925-2738 REMARK 1 DOI 10.1023/A:1008343609739 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.840 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE IS BASED ON A TOTAL OF REMARK 3 2871 RESTRAINTS, 1960 APPROXIMATE INTERPROTON DISTANCE REMARK 3 RESTRAINTS, 78 DISTANCE RESTRAINTS FOR 39 BACKBONE HYDROGEN REMARK 3 BONDS, 431 TORSION ANGLE RESTRAINTS, 132 3JHNA RESTRAINTS, 136 REMARK 3 CA AND 134 CB CHEMICAL SHIFT RESTRAINTS. STRUCTURE ALSO REMARK 3 REFINED WITH CONFORMATIONAL DATABASE TARGET FUNCTION. REMARK 4 REMARK 4 1EZT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 19-MAY-00. REMARK 100 THE RCSB ID CODE IS RCSB011069. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 50 MM K REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1 MM RGS4 U-15N,13C; 50MM REMARK 210 PHOSPHATE BUFFER, 2 MM NAN3, REMARK 210 50 MM DEUTERATED DTT, PH 6.0; REMARK 210 1 MM RGS4 U-15N,13C; 50MM REMARK 210 PHOSPHATE BUFFER, 2 MM NAN3, REMARK 210 50 MM DEUTERATED DTT, PH 6.0; REMARK 210 1 MM RGS4 U-15N; 50MM REMARK 210 PHOSPHATE BUFFER, 2 MM NAN3, REMARK 210 50 MM DEUTERATED DTT, PH 6.0 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.840, NMRPIPE 1.7, REMARK 210 PIPP 4.2.8, XWINNMR 2.0 REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING 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: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 MET A 1 REMARK 465 ARG A 2 REMARK 465 GLY A 3 REMARK 465 SER A 4 REMARK 465 PRO A 134 REMARK 465 SER A 135 REMARK 465 SER A 136 REMARK 465 CYS A 137 REMARK 465 GLY A 138 REMARK 465 ALA A 139 REMARK 465 GLU A 140 REMARK 465 LYS A 141 REMARK 465 GLN A 142 REMARK 465 LYS A 143 REMARK 465 GLY A 144 REMARK 465 ALA A 145 REMARK 465 LYS A 146 REMARK 465 SER A 147 REMARK 465 SER A 148 REMARK 465 ALA A 149 REMARK 465 ASP A 150 REMARK 465 CYS A 151 REMARK 465 THR A 152 REMARK 465 SER A 153 REMARK 465 LEU A 154 REMARK 465 VAL A 155 REMARK 465 PRO A 156 REMARK 465 GLN A 157 REMARK 465 CYS A 158 REMARK 465 ALA A 159 REMARK 465 HIS A 160 REMARK 465 HIS A 161 REMARK 465 HIS A 162 REMARK 465 HIS A 163 REMARK 465 HIS A 164 REMARK 465 HIS A 165 REMARK 465 PRO A 166 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 16 142.37 -173.97 REMARK 500 ASP A 117 -57.88 -124.88 REMARK 500 THR A 132 73.95 -117.78 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1EZY RELATED DB: PDB REMARK 900 1EZY IS THE ENSEMBLE STRUCTURE OF FREE RGS4 DBREF 1EZT A 5 159 UNP P49799 RGS4_RAT 51 205 SEQADV 1EZT MET A 1 UNP P49799 CLONING ARTIFACT SEQADV 1EZT ARG A 2 UNP P49799 CLONING ARTIFACT SEQADV 1EZT GLY A 3 UNP P49799 CLONING ARTIFACT SEQADV 1EZT SER A 4 UNP P49799 CLONING ARTIFACT SEQADV 1EZT HIS A 160 UNP P49799 EXPRESSION TAG SEQADV 1EZT HIS A 161 UNP P49799 EXPRESSION TAG SEQADV 1EZT HIS A 162 UNP P49799 EXPRESSION TAG SEQADV 1EZT HIS A 163 UNP P49799 EXPRESSION TAG SEQADV 1EZT HIS A 164 UNP P49799 EXPRESSION TAG SEQADV 1EZT HIS A 165 UNP P49799 EXPRESSION TAG SEQADV 1EZT PRO A 166 UNP P49799 CLONING ARTIFACT SEQRES 1 A 166 MET ARG GLY SER VAL SER GLN GLU GLU VAL LYS LYS TRP SEQRES 2 A 166 ALA GLU SER LEU GLU ASN LEU ILE ASN HIS GLU CYS GLY SEQRES 3 A 166 LEU ALA ALA PHE LYS ALA PHE LEU LYS SER GLU TYR SER SEQRES 4 A 166 GLU GLU ASN ILE ASP PHE TRP ILE SER CYS GLU GLU TYR SEQRES 5 A 166 LYS LYS ILE LYS SER PRO SER LYS LEU SER PRO LYS ALA SEQRES 6 A 166 LYS LYS ILE TYR ASN GLU PHE ILE SER VAL GLN ALA THR SEQRES 7 A 166 LYS GLU VAL ASN LEU ASP SER CYS THR ARG GLU GLU THR SEQRES 8 A 166 SER ARG ASN MET LEU GLU PRO THR ILE THR CYS PHE ASP SEQRES 9 A 166 GLU ALA GLN LYS LYS ILE PHE ASN LEU MET GLU LYS ASP SEQRES 10 A 166 SER TYR ARG ARG PHE LEU LYS SER ARG PHE TYR LEU ASP SEQRES 11 A 166 LEU THR ASN PRO SER SER CYS GLY ALA GLU LYS GLN LYS SEQRES 12 A 166 GLY ALA LYS SER SER ALA ASP CYS THR SER LEU VAL PRO SEQRES 13 A 166 GLN CYS ALA HIS HIS HIS HIS HIS HIS PRO HELIX 1 1 SER A 6 SER A 16 1 11 HELIX 2 2 SER A 16 HIS A 23 1 8 HELIX 3 3 HIS A 23 GLU A 37 1 15 HELIX 4 4 SER A 39 ILE A 55 1 17 HELIX 5 5 SER A 57 ILE A 73 1 17 HELIX 6 6 ASP A 84 MET A 95 1 12 HELIX 7 7 PHE A 103 SER A 125 1 23 HELIX 8 8 SER A 125 THR A 132 1 8 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot -110:sc= 0.417 USER MOD Set 1.2: A 109 LYS NZ :NH3+ 157:sc= 1.13 (180deg=-0.211!) USER MOD Set 2.1: A 53 LYS NZ :NH3+ -118:sc= -3.62! (180deg=-1.89!) USER MOD Set 2.2: A 107 GLN : amide:sc= -1.05! C(o=-4.7!,f=-13!) USER MOD Set 3.1: A 94 ASN : amide:sc= -0.105 K(o=0.8,f=-0.94!) USER MOD Set 3.2: A 102 CYS SG : rot -97:sc= 0.902 USER MOD Set 4.1: A 99 THR OG1 : rot 123:sc= 0.176 USER MOD Set 4.2: A 101 THR OG1 : rot 180:sc= 0.165 USER MOD Set 5.1: A 42 ASN : amide:sc= -0.325 K(o=-6.5,f=-7.2!) USER MOD Set 5.2: A 82 ASN :FLIP amide:sc= -6.18! C(o=-7.2!,f=-6.5!) USER MOD Set 6.1: A 16 SER OG : rot 111:sc= 0.777 USER MOD Set 6.2: A 19 ASN : amide:sc= -1.1! C(o=-0.33!,f=-8.4!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.028 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc=-0.00538 (180deg=-0.394) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -1.3 F(o=-2.2,f=-1.3) USER MOD Single : A 23 HIS : no HD1:sc= -7.68! C(o=-7.7!,f=-21!) USER MOD Single : A 25 CYS SG : rot 140:sc= -3.9! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= -0.124 (180deg=-0.662) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.425 USER MOD Single : A 48 SER OG : rot -43:sc= 1.1 USER MOD Single : A 49 CYS SG : rot 120:sc= 0.194 USER MOD Single : A 52 TYR OH : rot 5:sc= -0.0163 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0839) USER MOD Single : A 62 SER OG : rot 180:sc= -1.07 USER MOD Single : A 64 LYS NZ :NH3+ -135:sc= -0.663 (180deg=-4.11!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.463 USER MOD Single : A 70 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.652 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= 0.183 (180deg=0.179) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 71:sc= 0.289 USER MOD Single : A 92 SER OG : rot -57:sc= 0.613 USER MOD Single : A 95 MET CE :methyl -168:sc= -2.43 (180deg=-3.43) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= 1.09 K(o=1.1,f=-0.48) USER MOD Single : A 114 MET CE :methyl -116:sc= -2.47! (180deg=-3.89!) USER MOD Single : A 116 LYS NZ :NH3+ -168:sc= -0.399 (180deg=-0.845) USER MOD Single : A 118 SER OG : rot -55:sc= -0.574 USER MOD Single : A 119 TYR OH : rot -154:sc= -3.11! USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot -29:sc= 0.374 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -173:sc= -1.85! USER MOD Single : A 133 ASN :FLIP amide:sc= -1.56 F(o=-2.4!,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -8.546 2.447 -13.971 1.00 0.99 N ATOM 2 CA VAL A 5 -9.109 1.878 -12.714 1.00 0.86 C ATOM 3 C VAL A 5 -10.617 2.132 -12.671 1.00 0.82 C ATOM 4 O VAL A 5 -11.079 3.227 -12.927 1.00 0.84 O ATOM 5 CB VAL A 5 -8.442 2.546 -11.509 1.00 0.82 C ATOM 6 CG1 VAL A 5 -8.941 1.895 -10.217 1.00 1.02 C ATOM 7 CG2 VAL A 5 -6.925 2.373 -11.609 1.00 1.37 C ATOM 0 HA VAL A 5 -8.921 0.805 -12.683 1.00 0.86 H new ATOM 0 HB VAL A 5 -8.692 3.607 -11.500 1.00 0.82 H new ATOM 0 HG11 VAL A 5 -8.464 2.373 -9.361 1.00 1.02 H new ATOM 0 HG12 VAL A 5 -10.022 2.014 -10.144 1.00 1.02 H new ATOM 0 HG13 VAL A 5 -8.693 0.834 -10.225 1.00 1.02 H new ATOM 0 HG21 VAL A 5 -6.447 2.848 -10.752 1.00 1.37 H new ATOM 0 HG22 VAL A 5 -6.680 1.311 -11.619 1.00 1.37 H new ATOM 0 HG23 VAL A 5 -6.566 2.837 -12.528 1.00 1.37 H new ATOM 17 N SER A 6 -11.389 1.130 -12.350 1.00 0.82 N ATOM 18 CA SER A 6 -12.866 1.318 -12.292 1.00 0.83 C ATOM 19 C SER A 6 -13.234 2.093 -11.025 1.00 0.74 C ATOM 20 O SER A 6 -12.494 2.113 -10.061 1.00 0.68 O ATOM 21 CB SER A 6 -13.550 -0.049 -12.268 1.00 0.89 C ATOM 22 OG SER A 6 -13.271 -0.692 -11.031 1.00 0.87 O ATOM 0 H SER A 6 -11.061 0.191 -12.126 1.00 0.82 H new ATOM 0 HA SER A 6 -13.196 1.877 -13.168 1.00 0.83 H new ATOM 0 HB2 SER A 6 -14.626 0.068 -12.396 1.00 0.89 H new ATOM 0 HB3 SER A 6 -13.195 -0.661 -13.097 1.00 0.89 H new ATOM 0 HG SER A 6 -13.710 -1.568 -11.012 1.00 0.87 H new ATOM 28 N GLN A 7 -14.375 2.727 -11.017 1.00 0.75 N ATOM 29 CA GLN A 7 -14.792 3.496 -9.810 1.00 0.70 C ATOM 30 C GLN A 7 -15.130 2.533 -8.666 1.00 0.66 C ATOM 31 O GLN A 7 -15.090 2.888 -7.507 1.00 0.65 O ATOM 32 CB GLN A 7 -15.999 4.376 -10.139 1.00 0.76 C ATOM 33 CG GLN A 7 -15.551 5.508 -11.067 1.00 0.83 C ATOM 34 CD GLN A 7 -16.733 6.428 -11.375 1.00 1.51 C ATOM 35 OE1 GLN A 7 -17.840 5.972 -11.578 1.00 2.25 O ATOM 36 NE2 GLN A 7 -16.540 7.720 -11.412 1.00 2.18 N ATOM 0 H GLN A 7 -15.036 2.746 -11.794 1.00 0.75 H new ATOM 0 HA GLN A 7 -13.969 4.137 -9.496 1.00 0.70 H new ATOM 0 HB2 GLN A 7 -16.778 3.783 -10.617 1.00 0.76 H new ATOM 0 HB3 GLN A 7 -16.427 4.786 -9.224 1.00 0.76 H new ATOM 0 HG2 GLN A 7 -14.748 6.078 -10.599 1.00 0.83 H new ATOM 0 HG3 GLN A 7 -15.150 5.094 -11.992 1.00 0.83 H new ATOM 0 HE21 GLN A 7 -15.610 8.102 -11.241 1.00 2.18 H new ATOM 0 HE22 GLN A 7 -17.320 8.347 -11.612 1.00 2.18 H new ATOM 45 N GLU A 8 -15.470 1.317 -8.979 1.00 0.69 N ATOM 46 CA GLU A 8 -15.800 0.339 -7.904 1.00 0.69 C ATOM 47 C GLU A 8 -14.535 -0.020 -7.113 1.00 0.62 C ATOM 48 O GLU A 8 -14.569 -0.196 -5.911 1.00 0.61 O ATOM 49 CB GLU A 8 -16.377 -0.935 -8.526 1.00 0.78 C ATOM 50 CG GLU A 8 -17.768 -0.652 -9.096 1.00 0.87 C ATOM 51 CD GLU A 8 -18.300 -1.912 -9.781 1.00 1.57 C ATOM 52 OE1 GLU A 8 -17.590 -2.905 -9.784 1.00 2.12 O ATOM 53 OE2 GLU A 8 -19.406 -1.864 -10.292 1.00 2.30 O ATOM 0 H GLU A 8 -15.534 0.956 -9.931 1.00 0.69 H new ATOM 0 HA GLU A 8 -16.533 0.788 -7.233 1.00 0.69 H new ATOM 0 HB2 GLU A 8 -15.717 -1.296 -9.315 1.00 0.78 H new ATOM 0 HB3 GLU A 8 -16.436 -1.723 -7.775 1.00 0.78 H new ATOM 0 HG2 GLU A 8 -18.445 -0.345 -8.299 1.00 0.87 H new ATOM 0 HG3 GLU A 8 -17.721 0.171 -9.809 1.00 0.87 H new ATOM 60 N GLU A 9 -13.429 -0.178 -7.793 1.00 0.61 N ATOM 61 CA GLU A 9 -12.163 -0.582 -7.106 1.00 0.59 C ATOM 62 C GLU A 9 -11.603 0.542 -6.221 1.00 0.52 C ATOM 63 O GLU A 9 -11.118 0.290 -5.135 1.00 0.51 O ATOM 64 CB GLU A 9 -11.123 -0.939 -8.169 1.00 0.67 C ATOM 65 CG GLU A 9 -11.524 -2.244 -8.860 1.00 0.81 C ATOM 66 CD GLU A 9 -10.628 -2.471 -10.080 1.00 1.55 C ATOM 67 OE1 GLU A 9 -9.772 -1.636 -10.325 1.00 2.22 O ATOM 68 OE2 GLU A 9 -10.815 -3.474 -10.749 1.00 2.28 O ATOM 0 H GLU A 9 -13.347 -0.044 -8.801 1.00 0.61 H new ATOM 0 HA GLU A 9 -12.383 -1.435 -6.464 1.00 0.59 H new ATOM 0 HB2 GLU A 9 -11.047 -0.136 -8.902 1.00 0.67 H new ATOM 0 HB3 GLU A 9 -10.140 -1.046 -7.710 1.00 0.67 H new ATOM 0 HG2 GLU A 9 -11.430 -3.079 -8.166 1.00 0.81 H new ATOM 0 HG3 GLU A 9 -12.569 -2.200 -9.166 1.00 0.81 H new ATOM 75 N VAL A 10 -11.644 1.770 -6.659 1.00 0.50 N ATOM 76 CA VAL A 10 -11.087 2.865 -5.808 1.00 0.47 C ATOM 77 C VAL A 10 -11.887 2.964 -4.504 1.00 0.45 C ATOM 78 O VAL A 10 -11.340 3.243 -3.457 1.00 0.46 O ATOM 79 CB VAL A 10 -11.126 4.202 -6.559 1.00 0.50 C ATOM 80 CG1 VAL A 10 -10.216 4.132 -7.790 1.00 0.67 C ATOM 81 CG2 VAL A 10 -12.552 4.486 -7.011 1.00 0.58 C ATOM 0 H VAL A 10 -12.033 2.063 -7.556 1.00 0.50 H new ATOM 0 HA VAL A 10 -10.048 2.635 -5.573 1.00 0.47 H new ATOM 0 HB VAL A 10 -10.781 4.996 -5.896 1.00 0.50 H new ATOM 0 HG11 VAL A 10 -10.247 5.084 -8.320 1.00 0.67 H new ATOM 0 HG12 VAL A 10 -9.193 3.925 -7.475 1.00 0.67 H new ATOM 0 HG13 VAL A 10 -10.560 3.337 -8.452 1.00 0.67 H new ATOM 0 HG21 VAL A 10 -12.582 5.436 -7.545 1.00 0.58 H new ATOM 0 HG22 VAL A 10 -12.890 3.688 -7.671 1.00 0.58 H new ATOM 0 HG23 VAL A 10 -13.206 4.538 -6.141 1.00 0.58 H new ATOM 91 N LYS A 11 -13.173 2.730 -4.545 1.00 0.47 N ATOM 92 CA LYS A 11 -13.973 2.807 -3.285 1.00 0.50 C ATOM 93 C LYS A 11 -13.432 1.788 -2.279 1.00 0.48 C ATOM 94 O LYS A 11 -13.402 2.035 -1.090 1.00 0.50 O ATOM 95 CB LYS A 11 -15.456 2.528 -3.561 1.00 0.56 C ATOM 96 CG LYS A 11 -16.077 3.690 -4.348 1.00 0.63 C ATOM 97 CD LYS A 11 -17.599 3.646 -4.195 1.00 1.17 C ATOM 98 CE LYS A 11 -18.255 4.531 -5.257 1.00 1.66 C ATOM 99 NZ LYS A 11 -17.608 5.874 -5.261 1.00 2.39 N ATOM 0 H LYS A 11 -13.700 2.492 -5.385 1.00 0.47 H new ATOM 0 HA LYS A 11 -13.886 3.813 -2.876 1.00 0.50 H new ATOM 0 HB2 LYS A 11 -15.560 1.601 -4.125 1.00 0.56 H new ATOM 0 HB3 LYS A 11 -15.989 2.391 -2.620 1.00 0.56 H new ATOM 0 HG2 LYS A 11 -15.690 4.641 -3.981 1.00 0.63 H new ATOM 0 HG3 LYS A 11 -15.803 3.619 -5.401 1.00 0.63 H new ATOM 0 HD2 LYS A 11 -17.954 2.620 -4.294 1.00 1.17 H new ATOM 0 HD3 LYS A 11 -17.883 3.986 -3.199 1.00 1.17 H new ATOM 0 HE2 LYS A 11 -18.160 4.068 -6.239 1.00 1.66 H new ATOM 0 HE3 LYS A 11 -19.321 4.631 -5.053 1.00 1.66 H new ATOM 0 HZ1 LYS A 11 -18.220 6.553 -5.758 1.00 2.39 H new ATOM 0 HZ2 LYS A 11 -17.462 6.192 -4.282 1.00 2.39 H new ATOM 0 HZ3 LYS A 11 -16.690 5.816 -5.746 1.00 2.39 H new ATOM 113 N LYS A 12 -12.989 0.650 -2.743 1.00 0.47 N ATOM 114 CA LYS A 12 -12.436 -0.366 -1.802 1.00 0.49 C ATOM 115 C LYS A 12 -11.244 0.252 -1.076 1.00 0.43 C ATOM 116 O LYS A 12 -11.026 0.019 0.097 1.00 0.45 O ATOM 117 CB LYS A 12 -11.966 -1.601 -2.576 1.00 0.51 C ATOM 118 CG LYS A 12 -13.169 -2.363 -3.135 1.00 0.64 C ATOM 119 CD LYS A 12 -12.669 -3.590 -3.902 1.00 0.82 C ATOM 120 CE LYS A 12 -13.858 -4.367 -4.469 1.00 1.39 C ATOM 121 NZ LYS A 12 -14.168 -5.517 -3.574 1.00 2.37 N ATOM 0 H LYS A 12 -12.986 0.381 -3.727 1.00 0.47 H new ATOM 0 HA LYS A 12 -13.206 -0.667 -1.092 1.00 0.49 H new ATOM 0 HB2 LYS A 12 -11.307 -1.300 -3.390 1.00 0.51 H new ATOM 0 HB3 LYS A 12 -11.387 -2.251 -1.921 1.00 0.51 H new ATOM 0 HG2 LYS A 12 -13.830 -2.669 -2.325 1.00 0.64 H new ATOM 0 HG3 LYS A 12 -13.750 -1.718 -3.794 1.00 0.64 H new ATOM 0 HD2 LYS A 12 -12.007 -3.280 -4.710 1.00 0.82 H new ATOM 0 HD3 LYS A 12 -12.086 -4.231 -3.241 1.00 0.82 H new ATOM 0 HE2 LYS A 12 -14.726 -3.714 -4.554 1.00 1.39 H new ATOM 0 HE3 LYS A 12 -13.628 -4.724 -5.473 1.00 1.39 H new ATOM 0 HZ1 LYS A 12 -14.976 -6.047 -3.957 1.00 2.37 H new ATOM 0 HZ2 LYS A 12 -13.340 -6.143 -3.514 1.00 2.37 H new ATOM 0 HZ3 LYS A 12 -14.404 -5.164 -2.625 1.00 2.37 H new ATOM 135 N TRP A 13 -10.476 1.049 -1.766 1.00 0.39 N ATOM 136 CA TRP A 13 -9.305 1.696 -1.119 1.00 0.37 C ATOM 137 C TRP A 13 -9.803 2.548 0.044 1.00 0.38 C ATOM 138 O TRP A 13 -9.119 2.739 1.021 1.00 0.39 O ATOM 139 CB TRP A 13 -8.587 2.598 -2.125 1.00 0.38 C ATOM 140 CG TRP A 13 -8.172 1.813 -3.333 1.00 0.41 C ATOM 141 CD1 TRP A 13 -8.276 0.468 -3.480 1.00 0.44 C ATOM 142 CD2 TRP A 13 -7.587 2.312 -4.571 1.00 0.47 C ATOM 143 NE1 TRP A 13 -7.788 0.117 -4.726 1.00 0.50 N ATOM 144 CE2 TRP A 13 -7.353 1.217 -5.435 1.00 0.52 C ATOM 145 CE3 TRP A 13 -7.240 3.599 -5.022 1.00 0.51 C ATOM 146 CZ2 TRP A 13 -6.793 1.392 -6.702 1.00 0.61 C ATOM 147 CZ3 TRP A 13 -6.677 3.779 -6.296 1.00 0.60 C ATOM 148 CH2 TRP A 13 -6.454 2.677 -7.134 1.00 0.65 C ATOM 0 H TRP A 13 -10.610 1.279 -2.751 1.00 0.39 H new ATOM 0 HA TRP A 13 -8.613 0.932 -0.765 1.00 0.37 H new ATOM 0 HB2 TRP A 13 -9.244 3.415 -2.423 1.00 0.38 H new ATOM 0 HB3 TRP A 13 -7.711 3.048 -1.658 1.00 0.38 H new ATOM 0 HD1 TRP A 13 -8.674 -0.216 -2.745 1.00 0.44 H new ATOM 0 HE1 TRP A 13 -7.754 -0.840 -5.078 1.00 0.50 H new ATOM 0 HE3 TRP A 13 -7.408 4.454 -4.384 1.00 0.51 H new ATOM 0 HZ2 TRP A 13 -6.623 0.540 -7.344 1.00 0.61 H new ATOM 0 HZ3 TRP A 13 -6.414 4.771 -6.632 1.00 0.60 H new ATOM 0 HH2 TRP A 13 -6.021 2.821 -8.113 1.00 0.65 H new ATOM 159 N ALA A 14 -10.994 3.061 -0.050 1.00 0.42 N ATOM 160 CA ALA A 14 -11.527 3.892 1.062 1.00 0.48 C ATOM 161 C ALA A 14 -12.072 2.970 2.156 1.00 0.49 C ATOM 162 O ALA A 14 -12.450 3.412 3.223 1.00 0.55 O ATOM 163 CB ALA A 14 -12.658 4.779 0.536 1.00 0.55 C ATOM 0 H ALA A 14 -11.621 2.942 -0.846 1.00 0.42 H new ATOM 0 HA ALA A 14 -10.733 4.519 1.468 1.00 0.48 H new ATOM 0 HB1 ALA A 14 -13.050 5.389 1.350 1.00 0.55 H new ATOM 0 HB2 ALA A 14 -12.275 5.428 -0.252 1.00 0.55 H new ATOM 0 HB3 ALA A 14 -13.455 4.153 0.135 1.00 0.55 H new ATOM 169 N GLU A 15 -12.134 1.691 1.886 1.00 0.47 N ATOM 170 CA GLU A 15 -12.679 0.736 2.894 1.00 0.52 C ATOM 171 C GLU A 15 -11.556 0.062 3.698 1.00 0.47 C ATOM 172 O GLU A 15 -11.765 -0.345 4.824 1.00 0.51 O ATOM 173 CB GLU A 15 -13.494 -0.334 2.168 1.00 0.58 C ATOM 174 CG GLU A 15 -14.762 0.302 1.596 1.00 0.70 C ATOM 175 CD GLU A 15 -15.560 -0.748 0.823 1.00 1.35 C ATOM 176 OE1 GLU A 15 -15.108 -1.880 0.763 1.00 2.17 O ATOM 177 OE2 GLU A 15 -16.609 -0.403 0.305 1.00 1.94 O ATOM 0 H GLU A 15 -11.830 1.268 1.009 1.00 0.47 H new ATOM 0 HA GLU A 15 -13.305 1.291 3.592 1.00 0.52 H new ATOM 0 HB2 GLU A 15 -12.902 -0.778 1.367 1.00 0.58 H new ATOM 0 HB3 GLU A 15 -13.755 -1.139 2.856 1.00 0.58 H new ATOM 0 HG2 GLU A 15 -15.369 0.714 2.402 1.00 0.70 H new ATOM 0 HG3 GLU A 15 -14.500 1.131 0.938 1.00 0.70 H new ATOM 184 N SER A 16 -10.375 -0.080 3.150 1.00 0.42 N ATOM 185 CA SER A 16 -9.291 -0.751 3.933 1.00 0.42 C ATOM 186 C SER A 16 -7.949 -0.693 3.192 1.00 0.38 C ATOM 187 O SER A 16 -7.879 -0.820 1.986 1.00 0.37 O ATOM 188 CB SER A 16 -9.670 -2.214 4.165 1.00 0.48 C ATOM 189 OG SER A 16 -10.186 -2.761 2.959 1.00 0.53 O ATOM 0 H SER A 16 -10.117 0.232 2.214 1.00 0.42 H new ATOM 0 HA SER A 16 -9.182 -0.228 4.883 1.00 0.42 H new ATOM 0 HB2 SER A 16 -8.798 -2.781 4.491 1.00 0.48 H new ATOM 0 HB3 SER A 16 -10.413 -2.288 4.959 1.00 0.48 H new ATOM 0 HG SER A 16 -9.551 -3.415 2.598 1.00 0.53 H new ATOM 195 N LEU A 17 -6.884 -0.511 3.930 1.00 0.37 N ATOM 196 CA LEU A 17 -5.518 -0.442 3.327 1.00 0.37 C ATOM 197 C LEU A 17 -5.184 -1.744 2.587 1.00 0.38 C ATOM 198 O LEU A 17 -4.592 -1.725 1.526 1.00 0.39 O ATOM 199 CB LEU A 17 -4.507 -0.218 4.456 1.00 0.40 C ATOM 200 CG LEU A 17 -3.082 -0.138 3.902 1.00 0.45 C ATOM 201 CD1 LEU A 17 -2.945 1.053 2.952 1.00 0.57 C ATOM 202 CD2 LEU A 17 -2.109 0.039 5.066 1.00 0.49 C ATOM 0 H LEU A 17 -6.904 -0.405 4.944 1.00 0.37 H new ATOM 0 HA LEU A 17 -5.478 0.376 2.608 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -4.747 0.702 4.988 1.00 0.40 H new ATOM 0 HB3 LEU A 17 -4.576 -1.031 5.179 1.00 0.40 H new ATOM 0 HG LEU A 17 -2.860 -1.054 3.355 1.00 0.45 H new ATOM 0 HD11 LEU A 17 -1.926 1.096 2.567 1.00 0.57 H new ATOM 0 HD12 LEU A 17 -3.642 0.938 2.122 1.00 0.57 H new ATOM 0 HD13 LEU A 17 -3.169 1.975 3.489 1.00 0.57 H new ATOM 0 HD21 LEU A 17 -1.090 0.097 4.683 1.00 0.49 H new ATOM 0 HD22 LEU A 17 -2.348 0.957 5.603 1.00 0.49 H new ATOM 0 HD23 LEU A 17 -2.194 -0.811 5.744 1.00 0.49 H new ATOM 214 N GLU A 18 -5.533 -2.872 3.141 1.00 0.40 N ATOM 215 CA GLU A 18 -5.205 -4.162 2.470 1.00 0.43 C ATOM 216 C GLU A 18 -5.730 -4.151 1.034 1.00 0.42 C ATOM 217 O GLU A 18 -5.077 -4.625 0.126 1.00 0.44 O ATOM 218 CB GLU A 18 -5.860 -5.314 3.239 1.00 0.49 C ATOM 219 CG GLU A 18 -5.159 -5.495 4.587 1.00 0.53 C ATOM 220 CD GLU A 18 -5.812 -6.646 5.355 1.00 0.92 C ATOM 221 OE1 GLU A 18 -6.853 -7.108 4.920 1.00 1.64 O ATOM 222 OE2 GLU A 18 -5.260 -7.044 6.368 1.00 1.49 O ATOM 0 H GLU A 18 -6.030 -2.957 4.028 1.00 0.40 H new ATOM 0 HA GLU A 18 -4.123 -4.294 2.456 1.00 0.43 H new ATOM 0 HB2 GLU A 18 -6.919 -5.106 3.393 1.00 0.49 H new ATOM 0 HB3 GLU A 18 -5.797 -6.234 2.658 1.00 0.49 H new ATOM 0 HG2 GLU A 18 -4.100 -5.702 4.433 1.00 0.53 H new ATOM 0 HG3 GLU A 18 -5.222 -4.575 5.168 1.00 0.53 H new ATOM 229 N ASN A 19 -6.896 -3.618 0.813 1.00 0.41 N ATOM 230 CA ASN A 19 -7.439 -3.588 -0.575 1.00 0.41 C ATOM 231 C ASN A 19 -6.518 -2.755 -1.470 1.00 0.38 C ATOM 232 O ASN A 19 -6.220 -3.127 -2.589 1.00 0.40 O ATOM 233 CB ASN A 19 -8.832 -2.957 -0.560 1.00 0.42 C ATOM 234 CG ASN A 19 -9.822 -3.918 0.097 1.00 0.48 C ATOM 235 OD1 ASN A 19 -9.650 -4.301 1.237 1.00 1.22 O ATOM 236 ND2 ASN A 19 -10.862 -4.324 -0.578 1.00 1.19 N ATOM 0 H ASN A 19 -7.495 -3.204 1.527 1.00 0.41 H new ATOM 0 HA ASN A 19 -7.499 -4.605 -0.962 1.00 0.41 H new ATOM 0 HB2 ASN A 19 -8.809 -2.013 -0.015 1.00 0.42 H new ATOM 0 HB3 ASN A 19 -9.151 -2.730 -1.577 1.00 0.42 H new ATOM 0 HD21 ASN A 19 -11.531 -4.963 -0.149 1.00 1.19 H new ATOM 0 HD22 ASN A 19 -11.006 -4.002 -1.535 1.00 1.19 H new ATOM 243 N LEU A 20 -6.061 -1.633 -0.986 1.00 0.35 N ATOM 244 CA LEU A 20 -5.159 -0.777 -1.807 1.00 0.34 C ATOM 245 C LEU A 20 -3.877 -1.558 -2.117 1.00 0.36 C ATOM 246 O LEU A 20 -3.353 -1.506 -3.212 1.00 0.41 O ATOM 247 CB LEU A 20 -4.827 0.494 -1.013 1.00 0.34 C ATOM 248 CG LEU A 20 -3.896 1.418 -1.814 1.00 0.35 C ATOM 249 CD1 LEU A 20 -4.633 1.986 -3.032 1.00 0.39 C ATOM 250 CD2 LEU A 20 -3.453 2.573 -0.913 1.00 0.38 C ATOM 0 H LEU A 20 -6.274 -1.272 -0.056 1.00 0.35 H new ATOM 0 HA LEU A 20 -5.643 -0.500 -2.744 1.00 0.34 H new ATOM 0 HB2 LEU A 20 -5.747 1.024 -0.767 1.00 0.34 H new ATOM 0 HB3 LEU A 20 -4.353 0.224 -0.069 1.00 0.34 H new ATOM 0 HG LEU A 20 -3.031 0.849 -2.156 1.00 0.35 H new ATOM 0 HD11 LEU A 20 -3.963 2.639 -3.591 1.00 0.39 H new ATOM 0 HD12 LEU A 20 -4.961 1.168 -3.673 1.00 0.39 H new ATOM 0 HD13 LEU A 20 -5.500 2.556 -2.699 1.00 0.39 H new ATOM 0 HD21 LEU A 20 -2.791 3.236 -1.470 1.00 0.38 H new ATOM 0 HD22 LEU A 20 -4.328 3.130 -0.579 1.00 0.38 H new ATOM 0 HD23 LEU A 20 -2.923 2.176 -0.047 1.00 0.38 H new ATOM 262 N ILE A 21 -3.373 -2.284 -1.156 1.00 0.36 N ATOM 263 CA ILE A 21 -2.129 -3.075 -1.379 1.00 0.41 C ATOM 264 C ILE A 21 -2.480 -4.358 -2.148 1.00 0.44 C ATOM 265 O ILE A 21 -1.670 -4.901 -2.874 1.00 0.47 O ATOM 266 CB ILE A 21 -1.505 -3.430 -0.013 1.00 0.47 C ATOM 267 CG1 ILE A 21 -1.189 -2.148 0.759 1.00 1.31 C ATOM 268 CG2 ILE A 21 -0.199 -4.221 -0.176 1.00 1.28 C ATOM 269 CD1 ILE A 21 -0.490 -2.517 2.070 1.00 1.34 C ATOM 0 H ILE A 21 -3.772 -2.363 -0.221 1.00 0.36 H new ATOM 0 HA ILE A 21 -1.413 -2.494 -1.960 1.00 0.41 H new ATOM 0 HB ILE A 21 -2.228 -4.043 0.526 1.00 0.47 H new ATOM 0 HG12 ILE A 21 -0.551 -1.496 0.162 1.00 1.31 H new ATOM 0 HG13 ILE A 21 -2.106 -1.596 0.964 1.00 1.31 H new ATOM 0 HG21 ILE A 21 0.211 -4.453 0.807 1.00 1.28 H new ATOM 0 HG22 ILE A 21 -0.400 -5.148 -0.713 1.00 1.28 H new ATOM 0 HG23 ILE A 21 0.520 -3.624 -0.738 1.00 1.28 H new ATOM 0 HD11 ILE A 21 -0.260 -1.609 2.628 1.00 1.34 H new ATOM 0 HD12 ILE A 21 -1.145 -3.153 2.665 1.00 1.34 H new ATOM 0 HD13 ILE A 21 0.434 -3.052 1.852 1.00 1.34 H new ATOM 281 N ASN A 22 -3.671 -4.861 -1.981 1.00 0.44 N ATOM 282 CA ASN A 22 -4.044 -6.125 -2.681 1.00 0.48 C ATOM 283 C ASN A 22 -4.612 -5.840 -4.075 1.00 0.46 C ATOM 284 O ASN A 22 -4.958 -6.752 -4.800 1.00 0.50 O ATOM 285 CB ASN A 22 -5.089 -6.872 -1.850 1.00 0.53 C ATOM 286 CG ASN A 22 -4.440 -7.394 -0.567 1.00 0.59 C ATOM 287 OD1 ASN A 22 -5.040 -7.206 0.576 1.00 1.15 O flip ATOM 288 ND2 ASN A 22 -3.376 -7.980 -0.605 1.00 1.33 N flip ATOM 0 H ASN A 22 -4.400 -4.455 -1.394 1.00 0.44 H new ATOM 0 HA ASN A 22 -3.147 -6.733 -2.795 1.00 0.48 H new ATOM 0 HB2 ASN A 22 -5.919 -6.208 -1.607 1.00 0.53 H new ATOM 0 HB3 ASN A 22 -5.502 -7.701 -2.425 1.00 0.53 H new ATOM 0 HD21 ASN A 22 -2.907 -8.127 -1.498 1.00 1.33 H new ATOM 0 HD22 ASN A 22 -2.953 -8.325 0.257 1.00 1.33 H new ATOM 295 N HIS A 23 -4.701 -4.598 -4.470 1.00 0.42 N ATOM 296 CA HIS A 23 -5.236 -4.292 -5.831 1.00 0.44 C ATOM 297 C HIS A 23 -4.063 -4.148 -6.808 1.00 0.45 C ATOM 298 O HIS A 23 -3.062 -3.529 -6.506 1.00 0.41 O ATOM 299 CB HIS A 23 -6.043 -2.995 -5.795 1.00 0.44 C ATOM 300 CG HIS A 23 -6.814 -2.856 -7.078 1.00 0.54 C ATOM 301 ND1 HIS A 23 -6.275 -2.251 -8.203 1.00 0.89 N ATOM 302 CD2 HIS A 23 -8.081 -3.246 -7.433 1.00 1.13 C ATOM 303 CE1 HIS A 23 -7.207 -2.294 -9.172 1.00 0.77 C ATOM 304 NE2 HIS A 23 -8.328 -2.890 -8.756 1.00 0.94 N ATOM 0 H HIS A 23 -4.429 -3.787 -3.915 1.00 0.42 H new ATOM 0 HA HIS A 23 -5.889 -5.102 -6.157 1.00 0.44 H new ATOM 0 HB2 HIS A 23 -6.726 -3.001 -4.945 1.00 0.44 H new ATOM 0 HB3 HIS A 23 -5.377 -2.142 -5.663 1.00 0.44 H new ATOM 0 HD2 HIS A 23 -8.780 -3.752 -6.784 1.00 1.13 H new ATOM 0 HE1 HIS A 23 -7.066 -1.895 -10.166 1.00 0.77 H new ATOM 0 HE2 HIS A 23 -9.181 -3.050 -9.292 1.00 0.94 H new ATOM 312 N GLU A 24 -4.171 -4.741 -7.968 1.00 0.54 N ATOM 313 CA GLU A 24 -3.056 -4.671 -8.960 1.00 0.59 C ATOM 314 C GLU A 24 -2.764 -3.216 -9.343 1.00 0.56 C ATOM 315 O GLU A 24 -1.620 -2.822 -9.488 1.00 0.57 O ATOM 316 CB GLU A 24 -3.447 -5.458 -10.214 1.00 0.72 C ATOM 317 CG GLU A 24 -2.312 -5.394 -11.240 1.00 0.78 C ATOM 318 CD GLU A 24 -2.637 -6.315 -12.417 1.00 1.39 C ATOM 319 OE1 GLU A 24 -3.745 -6.232 -12.921 1.00 1.95 O ATOM 320 OE2 GLU A 24 -1.774 -7.093 -12.791 1.00 2.12 O ATOM 0 H GLU A 24 -4.986 -5.273 -8.273 1.00 0.54 H new ATOM 0 HA GLU A 24 -2.160 -5.100 -8.513 1.00 0.59 H new ATOM 0 HB2 GLU A 24 -3.656 -6.495 -9.953 1.00 0.72 H new ATOM 0 HB3 GLU A 24 -4.361 -5.047 -10.643 1.00 0.72 H new ATOM 0 HG2 GLU A 24 -2.182 -4.370 -11.591 1.00 0.78 H new ATOM 0 HG3 GLU A 24 -1.372 -5.695 -10.778 1.00 0.78 H new ATOM 327 N CYS A 25 -3.773 -2.406 -9.507 1.00 0.56 N ATOM 328 CA CYS A 25 -3.512 -0.991 -9.885 1.00 0.58 C ATOM 329 C CYS A 25 -3.227 -0.193 -8.619 1.00 0.49 C ATOM 330 O CYS A 25 -2.470 0.757 -8.631 1.00 0.50 O ATOM 331 CB CYS A 25 -4.725 -0.402 -10.606 1.00 0.66 C ATOM 332 SG CYS A 25 -4.206 1.045 -11.562 1.00 0.90 S ATOM 0 H CYS A 25 -4.755 -2.659 -9.397 1.00 0.56 H new ATOM 0 HA CYS A 25 -2.655 -0.945 -10.557 1.00 0.58 H new ATOM 0 HB2 CYS A 25 -5.169 -1.148 -11.265 1.00 0.66 H new ATOM 0 HB3 CYS A 25 -5.491 -0.120 -9.883 1.00 0.66 H new ATOM 0 HG CYS A 25 -4.818 1.050 -12.709 1.00 0.90 H new ATOM 338 N GLY A 26 -3.796 -0.588 -7.514 1.00 0.44 N ATOM 339 CA GLY A 26 -3.507 0.141 -6.253 1.00 0.39 C ATOM 340 C GLY A 26 -2.007 0.042 -6.009 1.00 0.36 C ATOM 341 O GLY A 26 -1.351 1.009 -5.687 1.00 0.37 O ATOM 0 H GLY A 26 -4.440 -1.374 -7.432 1.00 0.44 H new ATOM 0 HA2 GLY A 26 -3.816 1.183 -6.332 1.00 0.39 H new ATOM 0 HA3 GLY A 26 -4.062 -0.294 -5.421 1.00 0.39 H new ATOM 345 N LEU A 27 -1.455 -1.127 -6.196 1.00 0.38 N ATOM 346 CA LEU A 27 0.010 -1.292 -6.016 1.00 0.40 C ATOM 347 C LEU A 27 0.720 -0.364 -7.000 1.00 0.43 C ATOM 348 O LEU A 27 1.618 0.371 -6.641 1.00 0.43 O ATOM 349 CB LEU A 27 0.401 -2.746 -6.304 1.00 0.47 C ATOM 350 CG LEU A 27 -0.081 -3.653 -5.165 1.00 0.45 C ATOM 351 CD1 LEU A 27 -0.158 -5.096 -5.665 1.00 0.52 C ATOM 352 CD2 LEU A 27 0.902 -3.589 -3.988 1.00 0.48 C ATOM 0 H LEU A 27 -1.958 -1.972 -6.465 1.00 0.38 H new ATOM 0 HA LEU A 27 0.296 -1.045 -4.993 1.00 0.40 H new ATOM 0 HB2 LEU A 27 -0.038 -3.069 -7.248 1.00 0.47 H new ATOM 0 HB3 LEU A 27 1.483 -2.826 -6.411 1.00 0.47 H new ATOM 0 HG LEU A 27 -1.064 -3.315 -4.836 1.00 0.45 H new ATOM 0 HD11 LEU A 27 -0.500 -5.743 -4.857 1.00 0.52 H new ATOM 0 HD12 LEU A 27 -0.857 -5.155 -6.499 1.00 0.52 H new ATOM 0 HD13 LEU A 27 0.829 -5.420 -5.996 1.00 0.52 H new ATOM 0 HD21 LEU A 27 0.550 -4.236 -3.185 1.00 0.48 H new ATOM 0 HD22 LEU A 27 1.886 -3.921 -4.318 1.00 0.48 H new ATOM 0 HD23 LEU A 27 0.968 -2.563 -3.625 1.00 0.48 H new ATOM 364 N ALA A 28 0.310 -0.384 -8.242 1.00 0.48 N ATOM 365 CA ALA A 28 0.952 0.508 -9.248 1.00 0.53 C ATOM 366 C ALA A 28 0.770 1.964 -8.819 1.00 0.50 C ATOM 367 O ALA A 28 1.709 2.736 -8.784 1.00 0.50 O ATOM 368 CB ALA A 28 0.298 0.297 -10.615 1.00 0.61 C ATOM 0 H ALA A 28 -0.438 -0.977 -8.600 1.00 0.48 H new ATOM 0 HA ALA A 28 2.014 0.273 -9.316 1.00 0.53 H new ATOM 0 HB1 ALA A 28 0.770 0.951 -11.349 1.00 0.61 H new ATOM 0 HB2 ALA A 28 0.422 -0.742 -10.921 1.00 0.61 H new ATOM 0 HB3 ALA A 28 -0.765 0.531 -10.550 1.00 0.61 H new ATOM 374 N ALA A 29 -0.433 2.344 -8.491 1.00 0.49 N ATOM 375 CA ALA A 29 -0.684 3.748 -8.063 1.00 0.49 C ATOM 376 C ALA A 29 -0.015 3.997 -6.712 1.00 0.43 C ATOM 377 O ALA A 29 0.552 5.044 -6.471 1.00 0.45 O ATOM 378 CB ALA A 29 -2.192 3.974 -7.924 1.00 0.52 C ATOM 0 H ALA A 29 -1.256 1.741 -8.501 1.00 0.49 H new ATOM 0 HA ALA A 29 -0.275 4.432 -8.807 1.00 0.49 H new ATOM 0 HB1 ALA A 29 -2.379 5.001 -7.611 1.00 0.52 H new ATOM 0 HB2 ALA A 29 -2.677 3.793 -8.883 1.00 0.52 H new ATOM 0 HB3 ALA A 29 -2.595 3.288 -7.179 1.00 0.52 H new ATOM 384 N PHE A 30 -0.089 3.045 -5.824 1.00 0.39 N ATOM 385 CA PHE A 30 0.530 3.227 -4.484 1.00 0.37 C ATOM 386 C PHE A 30 2.054 3.309 -4.615 1.00 0.36 C ATOM 387 O PHE A 30 2.691 4.134 -3.992 1.00 0.37 O ATOM 388 CB PHE A 30 0.147 2.055 -3.576 1.00 0.38 C ATOM 389 CG PHE A 30 0.716 2.282 -2.197 1.00 0.48 C ATOM 390 CD1 PHE A 30 0.267 3.363 -1.428 1.00 0.64 C ATOM 391 CD2 PHE A 30 1.690 1.416 -1.685 1.00 0.59 C ATOM 392 CE1 PHE A 30 0.793 3.580 -0.151 1.00 0.82 C ATOM 393 CE2 PHE A 30 2.213 1.633 -0.406 1.00 0.76 C ATOM 394 CZ PHE A 30 1.765 2.715 0.360 1.00 0.86 C ATOM 0 H PHE A 30 -0.552 2.148 -5.970 1.00 0.39 H new ATOM 0 HA PHE A 30 0.164 4.156 -4.046 1.00 0.37 H new ATOM 0 HB2 PHE A 30 -0.938 1.961 -3.523 1.00 0.38 H new ATOM 0 HB3 PHE A 30 0.528 1.121 -3.989 1.00 0.38 H new ATOM 0 HD1 PHE A 30 -0.486 4.029 -1.822 1.00 0.64 H new ATOM 0 HD2 PHE A 30 2.037 0.582 -2.277 1.00 0.59 H new ATOM 0 HE1 PHE A 30 0.449 4.415 0.440 1.00 0.82 H new ATOM 0 HE2 PHE A 30 2.963 0.965 -0.009 1.00 0.76 H new ATOM 0 HZ PHE A 30 2.171 2.882 1.347 1.00 0.86 H new ATOM 404 N LYS A 31 2.650 2.468 -5.421 1.00 0.38 N ATOM 405 CA LYS A 31 4.132 2.527 -5.573 1.00 0.40 C ATOM 406 C LYS A 31 4.535 3.905 -6.099 1.00 0.41 C ATOM 407 O LYS A 31 5.483 4.509 -5.632 1.00 0.42 O ATOM 408 CB LYS A 31 4.607 1.457 -6.562 1.00 0.47 C ATOM 409 CG LYS A 31 4.680 0.094 -5.869 1.00 0.51 C ATOM 410 CD LYS A 31 5.173 -0.953 -6.878 1.00 0.73 C ATOM 411 CE LYS A 31 5.521 -2.270 -6.168 1.00 1.20 C ATOM 412 NZ LYS A 31 4.337 -3.174 -6.180 1.00 1.97 N ATOM 0 H LYS A 31 2.180 1.751 -5.974 1.00 0.38 H new ATOM 0 HA LYS A 31 4.592 2.348 -4.601 1.00 0.40 H new ATOM 0 HB2 LYS A 31 3.924 1.406 -7.410 1.00 0.47 H new ATOM 0 HB3 LYS A 31 5.587 1.725 -6.957 1.00 0.47 H new ATOM 0 HG2 LYS A 31 5.356 0.141 -5.015 1.00 0.51 H new ATOM 0 HG3 LYS A 31 3.699 -0.186 -5.484 1.00 0.51 H new ATOM 0 HD2 LYS A 31 4.404 -1.131 -7.629 1.00 0.73 H new ATOM 0 HD3 LYS A 31 6.050 -0.574 -7.403 1.00 0.73 H new ATOM 0 HE2 LYS A 31 6.363 -2.751 -6.665 1.00 1.20 H new ATOM 0 HE3 LYS A 31 5.828 -2.071 -5.141 1.00 1.20 H new ATOM 0 HZ1 LYS A 31 4.575 -4.065 -5.699 1.00 1.97 H new ATOM 0 HZ2 LYS A 31 3.545 -2.715 -5.687 1.00 1.97 H new ATOM 0 HZ3 LYS A 31 4.063 -3.374 -7.163 1.00 1.97 H new ATOM 426 N ALA A 32 3.819 4.413 -7.063 1.00 0.45 N ATOM 427 CA ALA A 32 4.164 5.751 -7.611 1.00 0.51 C ATOM 428 C ALA A 32 3.872 6.814 -6.554 1.00 0.48 C ATOM 429 O ALA A 32 4.627 7.748 -6.372 1.00 0.49 O ATOM 430 CB ALA A 32 3.324 6.024 -8.860 1.00 0.62 C ATOM 0 H ALA A 32 3.013 3.960 -7.493 1.00 0.45 H new ATOM 0 HA ALA A 32 5.221 5.779 -7.876 1.00 0.51 H new ATOM 0 HB1 ALA A 32 3.577 7.005 -9.261 1.00 0.62 H new ATOM 0 HB2 ALA A 32 3.529 5.261 -9.611 1.00 0.62 H new ATOM 0 HB3 ALA A 32 2.266 6.001 -8.599 1.00 0.62 H new ATOM 436 N PHE A 33 2.784 6.676 -5.847 1.00 0.48 N ATOM 437 CA PHE A 33 2.454 7.675 -4.796 1.00 0.53 C ATOM 438 C PHE A 33 3.567 7.717 -3.748 1.00 0.47 C ATOM 439 O PHE A 33 3.965 8.770 -3.297 1.00 0.52 O ATOM 440 CB PHE A 33 1.133 7.316 -4.120 1.00 0.60 C ATOM 441 CG PHE A 33 0.863 8.336 -3.046 1.00 0.76 C ATOM 442 CD1 PHE A 33 0.371 9.600 -3.389 1.00 0.93 C ATOM 443 CD2 PHE A 33 1.125 8.023 -1.708 1.00 0.84 C ATOM 444 CE1 PHE A 33 0.143 10.554 -2.391 1.00 1.11 C ATOM 445 CE2 PHE A 33 0.893 8.974 -0.711 1.00 1.05 C ATOM 446 CZ PHE A 33 0.404 10.239 -1.052 1.00 1.16 C ATOM 0 H PHE A 33 2.112 5.916 -5.952 1.00 0.48 H new ATOM 0 HA PHE A 33 2.360 8.654 -5.265 1.00 0.53 H new ATOM 0 HB2 PHE A 33 0.323 7.308 -4.849 1.00 0.60 H new ATOM 0 HB3 PHE A 33 1.185 6.316 -3.690 1.00 0.60 H new ATOM 0 HD1 PHE A 33 0.168 9.839 -4.422 1.00 0.93 H new ATOM 0 HD2 PHE A 33 1.506 7.047 -1.446 1.00 0.84 H new ATOM 0 HE1 PHE A 33 -0.234 11.532 -2.653 1.00 1.11 H new ATOM 0 HE2 PHE A 33 1.091 8.732 0.323 1.00 1.05 H new ATOM 0 HZ PHE A 33 0.227 10.974 -0.281 1.00 1.16 H new ATOM 456 N LEU A 34 4.073 6.583 -3.355 1.00 0.42 N ATOM 457 CA LEU A 34 5.160 6.574 -2.335 1.00 0.44 C ATOM 458 C LEU A 34 6.352 7.356 -2.877 1.00 0.38 C ATOM 459 O LEU A 34 7.016 8.074 -2.156 1.00 0.41 O ATOM 460 CB LEU A 34 5.587 5.135 -2.027 1.00 0.51 C ATOM 461 CG LEU A 34 4.483 4.395 -1.257 1.00 0.62 C ATOM 462 CD1 LEU A 34 4.900 2.919 -1.119 1.00 0.82 C ATOM 463 CD2 LEU A 34 4.280 5.051 0.129 1.00 0.81 C ATOM 0 H LEU A 34 3.784 5.665 -3.693 1.00 0.42 H new ATOM 0 HA LEU A 34 4.797 7.035 -1.416 1.00 0.44 H new ATOM 0 HB2 LEU A 34 5.805 4.608 -2.956 1.00 0.51 H new ATOM 0 HB3 LEU A 34 6.506 5.140 -1.440 1.00 0.51 H new ATOM 0 HG LEU A 34 3.535 4.453 -1.792 1.00 0.62 H new ATOM 0 HD11 LEU A 34 4.130 2.373 -0.574 1.00 0.82 H new ATOM 0 HD12 LEU A 34 5.023 2.482 -2.110 1.00 0.82 H new ATOM 0 HD13 LEU A 34 5.842 2.857 -0.575 1.00 0.82 H new ATOM 0 HD21 LEU A 34 3.496 4.522 0.671 1.00 0.81 H new ATOM 0 HD22 LEU A 34 5.210 5.000 0.695 1.00 0.81 H new ATOM 0 HD23 LEU A 34 3.991 6.094 -0.001 1.00 0.81 H new ATOM 475 N LYS A 35 6.629 7.228 -4.142 1.00 0.39 N ATOM 476 CA LYS A 35 7.779 7.971 -4.724 1.00 0.47 C ATOM 477 C LYS A 35 7.606 9.461 -4.413 1.00 0.50 C ATOM 478 O LYS A 35 8.552 10.155 -4.099 1.00 0.55 O ATOM 479 CB LYS A 35 7.798 7.765 -6.239 1.00 0.60 C ATOM 480 CG LYS A 35 9.211 7.393 -6.688 1.00 1.34 C ATOM 481 CD LYS A 35 9.248 7.297 -8.213 1.00 1.48 C ATOM 482 CE LYS A 35 10.091 6.091 -8.627 1.00 2.33 C ATOM 483 NZ LYS A 35 9.402 4.839 -8.202 1.00 3.09 N ATOM 0 H LYS A 35 6.111 6.643 -4.797 1.00 0.39 H new ATOM 0 HA LYS A 35 8.715 7.608 -4.299 1.00 0.47 H new ATOM 0 HB2 LYS A 35 7.098 6.978 -6.518 1.00 0.60 H new ATOM 0 HB3 LYS A 35 7.473 8.675 -6.744 1.00 0.60 H new ATOM 0 HG2 LYS A 35 9.924 8.142 -6.342 1.00 1.34 H new ATOM 0 HG3 LYS A 35 9.507 6.442 -6.245 1.00 1.34 H new ATOM 0 HD2 LYS A 35 8.236 7.199 -8.607 1.00 1.48 H new ATOM 0 HD3 LYS A 35 9.668 8.210 -8.636 1.00 1.48 H new ATOM 0 HE2 LYS A 35 10.239 6.090 -9.707 1.00 2.33 H new ATOM 0 HE3 LYS A 35 11.079 6.149 -8.170 1.00 2.33 H new ATOM 0 HZ1 LYS A 35 9.599 4.084 -8.889 1.00 3.09 H new ATOM 0 HZ2 LYS A 35 9.749 4.553 -7.264 1.00 3.09 H new ATOM 0 HZ3 LYS A 35 8.377 5.006 -8.156 1.00 3.09 H new ATOM 497 N SER A 36 6.399 9.952 -4.493 1.00 0.54 N ATOM 498 CA SER A 36 6.148 11.392 -4.196 1.00 0.66 C ATOM 499 C SER A 36 6.570 11.704 -2.758 1.00 0.65 C ATOM 500 O SER A 36 7.065 12.774 -2.467 1.00 0.75 O ATOM 501 CB SER A 36 4.661 11.704 -4.365 1.00 0.75 C ATOM 502 OG SER A 36 4.282 11.475 -5.716 1.00 0.81 O ATOM 0 H SER A 36 5.572 9.415 -4.753 1.00 0.54 H new ATOM 0 HA SER A 36 6.728 12.004 -4.887 1.00 0.66 H new ATOM 0 HB2 SER A 36 4.068 11.078 -3.698 1.00 0.75 H new ATOM 0 HB3 SER A 36 4.462 12.740 -4.090 1.00 0.75 H new ATOM 0 HG SER A 36 3.329 11.673 -5.826 1.00 0.81 H new ATOM 508 N GLU A 37 6.364 10.781 -1.856 1.00 0.59 N ATOM 509 CA GLU A 37 6.736 11.025 -0.431 1.00 0.66 C ATOM 510 C GLU A 37 8.076 10.349 -0.132 1.00 0.58 C ATOM 511 O GLU A 37 8.509 10.281 1.001 1.00 0.65 O ATOM 512 CB GLU A 37 5.658 10.433 0.482 1.00 0.72 C ATOM 513 CG GLU A 37 4.375 11.259 0.366 1.00 0.86 C ATOM 514 CD GLU A 37 3.288 10.638 1.245 1.00 1.09 C ATOM 515 OE1 GLU A 37 3.179 9.423 1.249 1.00 1.61 O ATOM 516 OE2 GLU A 37 2.582 11.388 1.899 1.00 1.69 O ATOM 0 H GLU A 37 5.953 9.867 -2.045 1.00 0.59 H new ATOM 0 HA GLU A 37 6.820 12.097 -0.255 1.00 0.66 H new ATOM 0 HB2 GLU A 37 5.462 9.397 0.205 1.00 0.72 H new ATOM 0 HB3 GLU A 37 6.006 10.426 1.515 1.00 0.72 H new ATOM 0 HG2 GLU A 37 4.563 12.288 0.674 1.00 0.86 H new ATOM 0 HG3 GLU A 37 4.044 11.292 -0.672 1.00 0.86 H new ATOM 523 N TYR A 38 8.737 9.860 -1.145 1.00 0.49 N ATOM 524 CA TYR A 38 10.057 9.200 -0.937 1.00 0.48 C ATOM 525 C TYR A 38 9.923 8.105 0.122 1.00 0.45 C ATOM 526 O TYR A 38 10.871 7.770 0.804 1.00 0.53 O ATOM 527 CB TYR A 38 11.075 10.242 -0.473 1.00 0.62 C ATOM 528 CG TYR A 38 11.171 11.338 -1.507 1.00 0.72 C ATOM 529 CD1 TYR A 38 11.988 11.173 -2.631 1.00 0.77 C ATOM 530 CD2 TYR A 38 10.437 12.519 -1.340 1.00 0.83 C ATOM 531 CE1 TYR A 38 12.071 12.191 -3.590 1.00 0.89 C ATOM 532 CE2 TYR A 38 10.520 13.535 -2.298 1.00 0.95 C ATOM 533 CZ TYR A 38 11.338 13.372 -3.423 1.00 0.96 C ATOM 534 OH TYR A 38 11.420 14.374 -4.368 1.00 1.10 O ATOM 0 H TYR A 38 8.418 9.889 -2.113 1.00 0.49 H new ATOM 0 HA TYR A 38 10.393 8.754 -1.873 1.00 0.48 H new ATOM 0 HB2 TYR A 38 10.775 10.658 0.489 1.00 0.62 H new ATOM 0 HB3 TYR A 38 12.050 9.776 -0.328 1.00 0.62 H new ATOM 0 HD1 TYR A 38 12.554 10.262 -2.759 1.00 0.77 H new ATOM 0 HD2 TYR A 38 9.807 12.645 -0.472 1.00 0.83 H new ATOM 0 HE1 TYR A 38 12.701 12.065 -4.458 1.00 0.89 H new ATOM 0 HE2 TYR A 38 9.953 14.445 -2.170 1.00 0.95 H new ATOM 0 HH TYR A 38 10.848 15.124 -4.100 1.00 1.10 H new ATOM 544 N SER A 39 8.753 7.544 0.253 1.00 0.41 N ATOM 545 CA SER A 39 8.539 6.463 1.257 1.00 0.44 C ATOM 546 C SER A 39 8.544 5.114 0.532 1.00 0.37 C ATOM 547 O SER A 39 7.896 4.168 0.936 1.00 0.37 O ATOM 548 CB SER A 39 7.201 6.687 1.965 1.00 0.52 C ATOM 549 OG SER A 39 6.333 7.417 1.106 1.00 1.45 O ATOM 0 H SER A 39 7.929 7.790 -0.296 1.00 0.41 H new ATOM 0 HA SER A 39 9.333 6.473 2.004 1.00 0.44 H new ATOM 0 HB2 SER A 39 6.751 5.730 2.228 1.00 0.52 H new ATOM 0 HB3 SER A 39 7.355 7.234 2.895 1.00 0.52 H new ATOM 0 HG SER A 39 5.474 7.561 1.555 1.00 1.45 H new ATOM 555 N GLU A 40 9.276 5.026 -0.546 1.00 0.36 N ATOM 556 CA GLU A 40 9.331 3.751 -1.314 1.00 0.35 C ATOM 557 C GLU A 40 9.982 2.668 -0.455 1.00 0.37 C ATOM 558 O GLU A 40 9.820 1.494 -0.694 1.00 0.37 O ATOM 559 CB GLU A 40 10.156 3.962 -2.584 1.00 0.41 C ATOM 560 CG GLU A 40 11.606 4.270 -2.204 1.00 0.46 C ATOM 561 CD GLU A 40 12.356 4.789 -3.431 1.00 1.09 C ATOM 562 OE1 GLU A 40 11.780 4.769 -4.506 1.00 1.76 O ATOM 563 OE2 GLU A 40 13.496 5.196 -3.276 1.00 1.77 O ATOM 0 H GLU A 40 9.840 5.785 -0.928 1.00 0.36 H new ATOM 0 HA GLU A 40 8.321 3.441 -1.583 1.00 0.35 H new ATOM 0 HB2 GLU A 40 10.114 3.071 -3.210 1.00 0.41 H new ATOM 0 HB3 GLU A 40 9.740 4.782 -3.169 1.00 0.41 H new ATOM 0 HG2 GLU A 40 11.634 5.013 -1.407 1.00 0.46 H new ATOM 0 HG3 GLU A 40 12.091 3.372 -1.821 1.00 0.46 H new ATOM 570 N GLU A 41 10.709 3.045 0.551 1.00 0.43 N ATOM 571 CA GLU A 41 11.341 2.018 1.420 1.00 0.50 C ATOM 572 C GLU A 41 10.232 1.212 2.104 1.00 0.45 C ATOM 573 O GLU A 41 10.379 0.040 2.387 1.00 0.45 O ATOM 574 CB GLU A 41 12.203 2.712 2.476 1.00 0.63 C ATOM 575 CG GLU A 41 11.320 3.611 3.346 1.00 0.65 C ATOM 576 CD GLU A 41 12.143 4.794 3.857 1.00 1.10 C ATOM 577 OE1 GLU A 41 13.358 4.687 3.862 1.00 1.73 O ATOM 578 OE2 GLU A 41 11.545 5.789 4.231 1.00 1.72 O ATOM 0 H GLU A 41 10.894 4.014 0.811 1.00 0.43 H new ATOM 0 HA GLU A 41 11.970 1.354 0.827 1.00 0.50 H new ATOM 0 HB2 GLU A 41 12.706 1.969 3.095 1.00 0.63 H new ATOM 0 HB3 GLU A 41 12.980 3.305 1.994 1.00 0.63 H new ATOM 0 HG2 GLU A 41 10.468 3.970 2.769 1.00 0.65 H new ATOM 0 HG3 GLU A 41 10.920 3.043 4.186 1.00 0.65 H new ATOM 585 N ASN A 42 9.124 1.849 2.378 1.00 0.42 N ATOM 586 CA ASN A 42 7.990 1.153 3.053 1.00 0.41 C ATOM 587 C ASN A 42 7.485 -0.035 2.223 1.00 0.36 C ATOM 588 O ASN A 42 7.276 -1.113 2.744 1.00 0.36 O ATOM 589 CB ASN A 42 6.842 2.144 3.250 1.00 0.44 C ATOM 590 CG ASN A 42 7.231 3.176 4.308 1.00 0.51 C ATOM 591 OD1 ASN A 42 8.056 2.910 5.159 1.00 1.00 O ATOM 592 ND2 ASN A 42 6.667 4.352 4.291 1.00 1.28 N ATOM 0 H ASN A 42 8.955 2.831 2.161 1.00 0.42 H new ATOM 0 HA ASN A 42 8.345 0.775 4.012 1.00 0.41 H new ATOM 0 HB2 ASN A 42 6.613 2.643 2.308 1.00 0.44 H new ATOM 0 HB3 ASN A 42 5.940 1.615 3.558 1.00 0.44 H new ATOM 0 HD21 ASN A 42 6.919 5.049 4.992 1.00 1.28 H new ATOM 0 HD22 ASN A 42 5.974 4.575 3.576 1.00 1.28 H new ATOM 599 N ILE A 43 7.260 0.145 0.946 1.00 0.36 N ATOM 600 CA ILE A 43 6.741 -0.993 0.129 1.00 0.35 C ATOM 601 C ILE A 43 7.829 -2.063 -0.035 1.00 0.36 C ATOM 602 O ILE A 43 7.550 -3.244 0.022 1.00 0.36 O ATOM 603 CB ILE A 43 6.224 -0.485 -1.234 1.00 0.36 C ATOM 604 CG1 ILE A 43 5.472 -1.611 -1.958 1.00 0.46 C ATOM 605 CG2 ILE A 43 7.383 -0.019 -2.115 1.00 0.45 C ATOM 606 CD1 ILE A 43 4.154 -1.937 -1.238 1.00 0.59 C ATOM 0 H ILE A 43 7.411 1.018 0.440 1.00 0.36 H new ATOM 0 HA ILE A 43 5.899 -1.453 0.646 1.00 0.35 H new ATOM 0 HB ILE A 43 5.555 0.356 -1.051 1.00 0.36 H new ATOM 0 HG12 ILE A 43 5.266 -1.314 -2.986 1.00 0.46 H new ATOM 0 HG13 ILE A 43 6.098 -2.502 -2.002 1.00 0.46 H new ATOM 0 HG21 ILE A 43 6.995 0.335 -3.070 1.00 0.45 H new ATOM 0 HG22 ILE A 43 7.915 0.792 -1.617 1.00 0.45 H new ATOM 0 HG23 ILE A 43 8.067 -0.850 -2.287 1.00 0.45 H new ATOM 0 HD11 ILE A 43 3.638 -2.737 -1.768 1.00 0.59 H new ATOM 0 HD12 ILE A 43 4.366 -2.256 -0.217 1.00 0.59 H new ATOM 0 HD13 ILE A 43 3.522 -1.049 -1.217 1.00 0.59 H new ATOM 618 N ASP A 44 9.067 -1.678 -0.210 1.00 0.38 N ATOM 619 CA ASP A 44 10.137 -2.707 -0.339 1.00 0.42 C ATOM 620 C ASP A 44 10.205 -3.480 0.978 1.00 0.38 C ATOM 621 O ASP A 44 10.286 -4.692 1.005 1.00 0.40 O ATOM 622 CB ASP A 44 11.481 -2.023 -0.601 1.00 0.48 C ATOM 623 CG ASP A 44 11.483 -1.423 -2.008 1.00 0.53 C ATOM 624 OD1 ASP A 44 10.684 -1.862 -2.819 1.00 0.98 O ATOM 625 OD2 ASP A 44 12.282 -0.533 -2.250 1.00 0.85 O ATOM 0 H ASP A 44 9.379 -0.709 -0.268 1.00 0.38 H new ATOM 0 HA ASP A 44 9.919 -3.381 -1.168 1.00 0.42 H new ATOM 0 HB2 ASP A 44 11.654 -1.242 0.139 1.00 0.48 H new ATOM 0 HB3 ASP A 44 12.293 -2.743 -0.500 1.00 0.48 H new ATOM 630 N PHE A 45 10.144 -2.771 2.072 1.00 0.36 N ATOM 631 CA PHE A 45 10.172 -3.426 3.408 1.00 0.34 C ATOM 632 C PHE A 45 8.942 -4.325 3.546 1.00 0.32 C ATOM 633 O PHE A 45 9.010 -5.420 4.068 1.00 0.33 O ATOM 634 CB PHE A 45 10.154 -2.333 4.482 1.00 0.35 C ATOM 635 CG PHE A 45 10.180 -2.942 5.864 1.00 0.34 C ATOM 636 CD1 PHE A 45 11.402 -3.260 6.469 1.00 0.38 C ATOM 637 CD2 PHE A 45 8.979 -3.176 6.545 1.00 0.35 C ATOM 638 CE1 PHE A 45 11.422 -3.814 7.756 1.00 0.41 C ATOM 639 CE2 PHE A 45 8.998 -3.727 7.832 1.00 0.39 C ATOM 640 CZ PHE A 45 10.220 -4.047 8.437 1.00 0.40 C ATOM 0 H PHE A 45 10.075 -1.754 2.096 1.00 0.36 H new ATOM 0 HA PHE A 45 11.069 -4.034 3.523 1.00 0.34 H new ATOM 0 HB2 PHE A 45 11.013 -1.675 4.353 1.00 0.35 H new ATOM 0 HB3 PHE A 45 9.262 -1.718 4.367 1.00 0.35 H new ATOM 0 HD1 PHE A 45 12.328 -3.078 5.944 1.00 0.38 H new ATOM 0 HD2 PHE A 45 8.037 -2.931 6.077 1.00 0.35 H new ATOM 0 HE1 PHE A 45 12.364 -4.061 8.223 1.00 0.41 H new ATOM 0 HE2 PHE A 45 8.071 -3.905 8.358 1.00 0.39 H new ATOM 0 HZ PHE A 45 10.236 -4.474 9.429 1.00 0.40 H new ATOM 650 N TRP A 46 7.816 -3.863 3.074 1.00 0.32 N ATOM 651 CA TRP A 46 6.569 -4.673 3.164 1.00 0.33 C ATOM 652 C TRP A 46 6.758 -5.991 2.403 1.00 0.34 C ATOM 653 O TRP A 46 6.316 -7.037 2.836 1.00 0.36 O ATOM 654 CB TRP A 46 5.409 -3.882 2.553 1.00 0.36 C ATOM 655 CG TRP A 46 4.147 -4.679 2.647 1.00 0.38 C ATOM 656 CD1 TRP A 46 3.381 -4.785 3.758 1.00 0.47 C ATOM 657 CD2 TRP A 46 3.487 -5.471 1.618 1.00 0.42 C ATOM 658 NE1 TRP A 46 2.295 -5.593 3.477 1.00 0.50 N ATOM 659 CE2 TRP A 46 2.315 -6.041 2.171 1.00 0.47 C ATOM 660 CE3 TRP A 46 3.787 -5.750 0.273 1.00 0.50 C ATOM 661 CZ2 TRP A 46 1.471 -6.856 1.417 1.00 0.54 C ATOM 662 CZ3 TRP A 46 2.939 -6.571 -0.490 1.00 0.61 C ATOM 663 CH2 TRP A 46 1.784 -7.123 0.082 1.00 0.61 C ATOM 0 H TRP A 46 7.707 -2.953 2.627 1.00 0.32 H new ATOM 0 HA TRP A 46 6.347 -4.893 4.208 1.00 0.33 H new ATOM 0 HB2 TRP A 46 5.290 -2.932 3.075 1.00 0.36 H new ATOM 0 HB3 TRP A 46 5.625 -3.648 1.511 1.00 0.36 H new ATOM 0 HD1 TRP A 46 3.585 -4.315 4.709 1.00 0.47 H new ATOM 0 HE1 TRP A 46 1.568 -5.829 4.152 1.00 0.50 H new ATOM 0 HE3 TRP A 46 4.675 -5.331 -0.177 1.00 0.50 H new ATOM 0 HZ2 TRP A 46 0.582 -7.278 1.862 1.00 0.54 H new ATOM 0 HZ3 TRP A 46 3.178 -6.778 -1.523 1.00 0.61 H new ATOM 0 HH2 TRP A 46 1.137 -7.754 -0.509 1.00 0.61 H new ATOM 674 N ILE A 47 7.406 -5.948 1.266 1.00 0.35 N ATOM 675 CA ILE A 47 7.613 -7.199 0.476 1.00 0.39 C ATOM 676 C ILE A 47 8.512 -8.157 1.260 1.00 0.38 C ATOM 677 O ILE A 47 8.271 -9.347 1.309 1.00 0.39 O ATOM 678 CB ILE A 47 8.280 -6.857 -0.859 1.00 0.44 C ATOM 679 CG1 ILE A 47 7.308 -6.033 -1.715 1.00 0.46 C ATOM 680 CG2 ILE A 47 8.643 -8.149 -1.595 1.00 0.50 C ATOM 681 CD1 ILE A 47 8.023 -5.475 -2.954 1.00 0.53 C ATOM 0 H ILE A 47 7.799 -5.103 0.852 1.00 0.35 H new ATOM 0 HA ILE A 47 6.649 -7.673 0.292 1.00 0.39 H new ATOM 0 HB ILE A 47 9.186 -6.279 -0.678 1.00 0.44 H new ATOM 0 HG12 ILE A 47 6.468 -6.655 -2.022 1.00 0.46 H new ATOM 0 HG13 ILE A 47 6.899 -5.214 -1.124 1.00 0.46 H new ATOM 0 HG21 ILE A 47 9.118 -7.905 -2.545 1.00 0.50 H new ATOM 0 HG22 ILE A 47 9.331 -8.734 -0.985 1.00 0.50 H new ATOM 0 HG23 ILE A 47 7.739 -8.729 -1.779 1.00 0.50 H new ATOM 0 HD11 ILE A 47 7.319 -4.894 -3.549 1.00 0.53 H new ATOM 0 HD12 ILE A 47 8.848 -4.835 -2.641 1.00 0.53 H new ATOM 0 HD13 ILE A 47 8.410 -6.299 -3.553 1.00 0.53 H new ATOM 693 N SER A 48 9.538 -7.649 1.884 1.00 0.38 N ATOM 694 CA SER A 48 10.435 -8.537 2.672 1.00 0.41 C ATOM 695 C SER A 48 9.666 -9.051 3.888 1.00 0.41 C ATOM 696 O SER A 48 9.778 -10.198 4.272 1.00 0.42 O ATOM 697 CB SER A 48 11.666 -7.753 3.131 1.00 0.43 C ATOM 698 OG SER A 48 11.257 -6.703 3.998 1.00 0.43 O ATOM 0 H SER A 48 9.793 -6.661 1.882 1.00 0.38 H new ATOM 0 HA SER A 48 10.762 -9.376 2.057 1.00 0.41 H new ATOM 0 HB2 SER A 48 12.362 -8.415 3.646 1.00 0.43 H new ATOM 0 HB3 SER A 48 12.193 -7.344 2.269 1.00 0.43 H new ATOM 0 HG SER A 48 10.460 -6.267 3.630 1.00 0.43 H new ATOM 704 N CYS A 49 8.879 -8.204 4.493 1.00 0.41 N ATOM 705 CA CYS A 49 8.088 -8.628 5.681 1.00 0.44 C ATOM 706 C CYS A 49 7.073 -9.695 5.262 1.00 0.44 C ATOM 707 O CYS A 49 6.812 -10.635 5.987 1.00 0.45 O ATOM 708 CB CYS A 49 7.347 -7.420 6.253 1.00 0.49 C ATOM 709 SG CYS A 49 8.285 -6.738 7.642 1.00 1.57 S ATOM 0 H CYS A 49 8.750 -7.232 4.213 1.00 0.41 H new ATOM 0 HA CYS A 49 8.757 -9.038 6.437 1.00 0.44 H new ATOM 0 HB2 CYS A 49 7.216 -6.661 5.481 1.00 0.49 H new ATOM 0 HB3 CYS A 49 6.351 -7.714 6.583 1.00 0.49 H new ATOM 0 HG CYS A 49 8.610 -5.506 7.383 1.00 1.57 H new ATOM 715 N GLU A 50 6.497 -9.556 4.097 1.00 0.46 N ATOM 716 CA GLU A 50 5.498 -10.563 3.636 1.00 0.49 C ATOM 717 C GLU A 50 6.162 -11.937 3.561 1.00 0.46 C ATOM 718 O GLU A 50 5.635 -12.918 4.047 1.00 0.48 O ATOM 719 CB GLU A 50 4.980 -10.171 2.250 1.00 0.52 C ATOM 720 CG GLU A 50 4.074 -8.945 2.371 1.00 0.83 C ATOM 721 CD GLU A 50 2.611 -9.379 2.257 1.00 1.44 C ATOM 722 OE1 GLU A 50 2.298 -10.094 1.319 1.00 2.13 O ATOM 723 OE2 GLU A 50 1.829 -8.989 3.108 1.00 2.08 O ATOM 0 H GLU A 50 6.675 -8.791 3.447 1.00 0.46 H new ATOM 0 HA GLU A 50 4.665 -10.598 4.338 1.00 0.49 H new ATOM 0 HB2 GLU A 50 5.816 -9.954 1.586 1.00 0.52 H new ATOM 0 HB3 GLU A 50 4.429 -11.001 1.808 1.00 0.52 H new ATOM 0 HG2 GLU A 50 4.243 -8.447 3.326 1.00 0.83 H new ATOM 0 HG3 GLU A 50 4.313 -8.224 1.589 1.00 0.83 H new ATOM 730 N GLU A 51 7.325 -12.014 2.976 1.00 0.43 N ATOM 731 CA GLU A 51 8.025 -13.325 2.899 1.00 0.43 C ATOM 732 C GLU A 51 8.272 -13.822 4.321 1.00 0.40 C ATOM 733 O GLU A 51 8.141 -14.992 4.619 1.00 0.41 O ATOM 734 CB GLU A 51 9.363 -13.157 2.175 1.00 0.44 C ATOM 735 CG GLU A 51 9.114 -12.874 0.692 1.00 0.51 C ATOM 736 CD GLU A 51 10.446 -12.585 -0.002 1.00 0.63 C ATOM 737 OE1 GLU A 51 11.460 -12.595 0.678 1.00 1.24 O ATOM 738 OE2 GLU A 51 10.431 -12.357 -1.200 1.00 1.41 O ATOM 0 H GLU A 51 7.818 -11.229 2.550 1.00 0.43 H new ATOM 0 HA GLU A 51 7.415 -14.042 2.349 1.00 0.43 H new ATOM 0 HB2 GLU A 51 9.929 -12.339 2.621 1.00 0.44 H new ATOM 0 HB3 GLU A 51 9.964 -14.059 2.287 1.00 0.44 H new ATOM 0 HG2 GLU A 51 8.626 -13.729 0.224 1.00 0.51 H new ATOM 0 HG3 GLU A 51 8.442 -12.023 0.581 1.00 0.51 H new ATOM 745 N TYR A 52 8.633 -12.928 5.197 1.00 0.37 N ATOM 746 CA TYR A 52 8.899 -13.316 6.607 1.00 0.35 C ATOM 747 C TYR A 52 7.627 -13.919 7.220 1.00 0.38 C ATOM 748 O TYR A 52 7.678 -14.896 7.941 1.00 0.38 O ATOM 749 CB TYR A 52 9.312 -12.067 7.390 1.00 0.36 C ATOM 750 CG TYR A 52 9.929 -12.468 8.708 1.00 0.31 C ATOM 751 CD1 TYR A 52 9.113 -12.755 9.807 1.00 0.30 C ATOM 752 CD2 TYR A 52 11.322 -12.552 8.828 1.00 0.30 C ATOM 753 CE1 TYR A 52 9.690 -13.125 11.027 1.00 0.29 C ATOM 754 CE2 TYR A 52 11.899 -12.921 10.048 1.00 0.28 C ATOM 755 CZ TYR A 52 11.083 -13.209 11.148 1.00 0.28 C ATOM 756 OH TYR A 52 11.652 -13.575 12.351 1.00 0.29 O ATOM 0 H TYR A 52 8.756 -11.936 4.993 1.00 0.37 H new ATOM 0 HA TYR A 52 9.698 -14.057 6.648 1.00 0.35 H new ATOM 0 HB2 TYR A 52 10.024 -11.481 6.808 1.00 0.36 H new ATOM 0 HB3 TYR A 52 8.443 -11.432 7.563 1.00 0.36 H new ATOM 0 HD1 TYR A 52 8.039 -12.691 9.714 1.00 0.30 H new ATOM 0 HD2 TYR A 52 11.951 -12.332 7.978 1.00 0.30 H new ATOM 0 HE1 TYR A 52 9.061 -13.346 11.876 1.00 0.29 H new ATOM 0 HE2 TYR A 52 12.973 -12.984 10.141 1.00 0.28 H new ATOM 0 HH TYR A 52 10.946 -13.813 12.988 1.00 0.29 H new ATOM 766 N LYS A 53 6.485 -13.343 6.940 1.00 0.43 N ATOM 767 CA LYS A 53 5.212 -13.884 7.508 1.00 0.48 C ATOM 768 C LYS A 53 4.859 -15.231 6.872 1.00 0.48 C ATOM 769 O LYS A 53 4.084 -15.991 7.417 1.00 0.52 O ATOM 770 CB LYS A 53 4.060 -12.909 7.256 1.00 0.58 C ATOM 771 CG LYS A 53 4.152 -11.724 8.219 1.00 0.66 C ATOM 772 CD LYS A 53 2.923 -10.826 8.033 1.00 0.81 C ATOM 773 CE LYS A 53 2.791 -9.870 9.220 1.00 1.12 C ATOM 774 NZ LYS A 53 3.902 -8.878 9.186 1.00 2.03 N ATOM 0 H LYS A 53 6.379 -12.523 6.343 1.00 0.43 H new ATOM 0 HA LYS A 53 5.360 -14.017 8.580 1.00 0.48 H new ATOM 0 HB2 LYS A 53 4.093 -12.554 6.226 1.00 0.58 H new ATOM 0 HB3 LYS A 53 3.106 -13.420 7.386 1.00 0.58 H new ATOM 0 HG2 LYS A 53 4.205 -12.080 9.248 1.00 0.66 H new ATOM 0 HG3 LYS A 53 5.064 -11.157 8.030 1.00 0.66 H new ATOM 0 HD2 LYS A 53 3.013 -10.259 7.107 1.00 0.81 H new ATOM 0 HD3 LYS A 53 2.025 -11.438 7.946 1.00 0.81 H new ATOM 0 HE2 LYS A 53 1.830 -9.357 9.182 1.00 1.12 H new ATOM 0 HE3 LYS A 53 2.817 -10.429 10.155 1.00 1.12 H new ATOM 0 HZ1 LYS A 53 4.485 -8.980 10.041 1.00 2.03 H new ATOM 0 HZ2 LYS A 53 4.490 -9.044 8.345 1.00 2.03 H new ATOM 0 HZ3 LYS A 53 3.508 -7.916 9.148 1.00 2.03 H new ATOM 788 N LYS A 54 5.394 -15.537 5.722 1.00 0.46 N ATOM 789 CA LYS A 54 5.041 -16.836 5.083 1.00 0.50 C ATOM 790 C LYS A 54 5.970 -17.929 5.606 1.00 0.47 C ATOM 791 O LYS A 54 5.586 -19.077 5.721 1.00 0.52 O ATOM 792 CB LYS A 54 5.178 -16.721 3.562 1.00 0.56 C ATOM 793 CG LYS A 54 4.068 -15.816 3.021 1.00 0.62 C ATOM 794 CD LYS A 54 4.197 -15.695 1.502 1.00 0.71 C ATOM 795 CE LYS A 54 3.086 -14.790 0.965 1.00 0.89 C ATOM 796 NZ LYS A 54 3.693 -13.617 0.277 1.00 1.70 N ATOM 0 H LYS A 54 6.051 -14.954 5.203 1.00 0.46 H new ATOM 0 HA LYS A 54 4.010 -17.091 5.328 1.00 0.50 H new ATOM 0 HB2 LYS A 54 6.155 -16.312 3.303 1.00 0.56 H new ATOM 0 HB3 LYS A 54 5.114 -17.708 3.104 1.00 0.56 H new ATOM 0 HG2 LYS A 54 3.092 -16.226 3.281 1.00 0.62 H new ATOM 0 HG3 LYS A 54 4.133 -14.830 3.481 1.00 0.62 H new ATOM 0 HD2 LYS A 54 5.173 -15.285 1.241 1.00 0.71 H new ATOM 0 HD3 LYS A 54 4.132 -16.681 1.041 1.00 0.71 H new ATOM 0 HE2 LYS A 54 2.453 -15.345 0.272 1.00 0.89 H new ATOM 0 HE3 LYS A 54 2.447 -14.456 1.782 1.00 0.89 H new ATOM 0 HZ1 LYS A 54 2.939 -13.001 -0.089 1.00 1.70 H new ATOM 0 HZ2 LYS A 54 4.279 -13.084 0.951 1.00 1.70 H new ATOM 0 HZ3 LYS A 54 4.285 -13.946 -0.512 1.00 1.70 H new ATOM 810 N ILE A 55 7.178 -17.586 5.954 1.00 0.43 N ATOM 811 CA ILE A 55 8.102 -18.616 6.501 1.00 0.44 C ATOM 812 C ILE A 55 7.654 -18.956 7.925 1.00 0.46 C ATOM 813 O ILE A 55 7.679 -18.117 8.803 1.00 0.45 O ATOM 814 CB ILE A 55 9.531 -18.067 6.523 1.00 0.42 C ATOM 815 CG1 ILE A 55 10.012 -17.858 5.077 1.00 0.43 C ATOM 816 CG2 ILE A 55 10.446 -19.072 7.229 1.00 0.44 C ATOM 817 CD1 ILE A 55 11.267 -16.972 5.041 1.00 0.43 C ATOM 0 H ILE A 55 7.563 -16.644 5.884 1.00 0.43 H new ATOM 0 HA ILE A 55 8.081 -19.510 5.878 1.00 0.44 H new ATOM 0 HB ILE A 55 9.556 -17.117 7.057 1.00 0.42 H new ATOM 0 HG12 ILE A 55 10.229 -18.823 4.618 1.00 0.43 H new ATOM 0 HG13 ILE A 55 9.219 -17.397 4.488 1.00 0.43 H new ATOM 0 HG21 ILE A 55 11.465 -18.686 7.247 1.00 0.44 H new ATOM 0 HG22 ILE A 55 10.098 -19.226 8.250 1.00 0.44 H new ATOM 0 HG23 ILE A 55 10.427 -20.021 6.692 1.00 0.44 H new ATOM 0 HD11 ILE A 55 11.589 -16.838 4.008 1.00 0.43 H new ATOM 0 HD12 ILE A 55 11.039 -16.000 5.479 1.00 0.43 H new ATOM 0 HD13 ILE A 55 12.065 -17.448 5.611 1.00 0.43 H new ATOM 829 N LYS A 56 7.242 -20.173 8.159 1.00 0.53 N ATOM 830 CA LYS A 56 6.786 -20.564 9.526 1.00 0.60 C ATOM 831 C LYS A 56 7.899 -21.308 10.259 1.00 0.59 C ATOM 832 O LYS A 56 7.723 -21.765 11.369 1.00 0.66 O ATOM 833 CB LYS A 56 5.549 -21.450 9.410 1.00 0.71 C ATOM 834 CG LYS A 56 4.372 -20.592 8.941 1.00 0.76 C ATOM 835 CD LYS A 56 3.113 -21.450 8.815 1.00 1.01 C ATOM 836 CE LYS A 56 1.938 -20.558 8.407 1.00 1.20 C ATOM 837 NZ LYS A 56 0.867 -21.388 7.789 1.00 1.88 N ATOM 0 H LYS A 56 7.201 -20.916 7.461 1.00 0.53 H new ATOM 0 HA LYS A 56 6.537 -19.668 10.094 1.00 0.60 H new ATOM 0 HB2 LYS A 56 5.730 -22.261 8.704 1.00 0.71 H new ATOM 0 HB3 LYS A 56 5.322 -21.909 10.372 1.00 0.71 H new ATOM 0 HG2 LYS A 56 4.199 -19.781 9.648 1.00 0.76 H new ATOM 0 HG3 LYS A 56 4.606 -20.133 7.980 1.00 0.76 H new ATOM 0 HD2 LYS A 56 3.265 -22.234 8.073 1.00 1.01 H new ATOM 0 HD3 LYS A 56 2.899 -21.944 9.762 1.00 1.01 H new ATOM 0 HE2 LYS A 56 1.547 -20.034 9.279 1.00 1.20 H new ATOM 0 HE3 LYS A 56 2.274 -19.798 7.702 1.00 1.20 H new ATOM 0 HZ1 LYS A 56 0.071 -20.778 7.513 1.00 1.88 H new ATOM 0 HZ2 LYS A 56 1.243 -21.869 6.947 1.00 1.88 H new ATOM 0 HZ3 LYS A 56 0.538 -22.097 8.475 1.00 1.88 H new ATOM 851 N SER A 57 9.044 -21.421 9.651 1.00 0.54 N ATOM 852 CA SER A 57 10.182 -22.120 10.314 1.00 0.56 C ATOM 853 C SER A 57 11.078 -21.070 11.006 1.00 0.50 C ATOM 854 O SER A 57 11.730 -20.304 10.328 1.00 0.45 O ATOM 855 CB SER A 57 11.010 -22.840 9.251 1.00 0.60 C ATOM 856 OG SER A 57 10.235 -23.883 8.677 1.00 0.69 O ATOM 0 H SER A 57 9.244 -21.058 8.719 1.00 0.54 H new ATOM 0 HA SER A 57 9.803 -22.835 11.044 1.00 0.56 H new ATOM 0 HB2 SER A 57 11.322 -22.137 8.479 1.00 0.60 H new ATOM 0 HB3 SER A 57 11.917 -23.249 9.696 1.00 0.60 H new ATOM 0 HG SER A 57 10.764 -24.345 7.993 1.00 0.69 H new ATOM 862 N PRO A 58 11.127 -21.000 12.328 1.00 0.51 N ATOM 863 CA PRO A 58 11.984 -19.977 12.992 1.00 0.48 C ATOM 864 C PRO A 58 13.479 -20.198 12.738 1.00 0.47 C ATOM 865 O PRO A 58 14.312 -19.439 13.194 1.00 0.48 O ATOM 866 CB PRO A 58 11.659 -20.165 14.475 1.00 0.55 C ATOM 867 CG PRO A 58 10.713 -21.360 14.630 1.00 0.60 C ATOM 868 CD PRO A 58 10.366 -21.902 13.241 1.00 0.59 C ATOM 0 HA PRO A 58 11.786 -18.974 12.615 1.00 0.48 H new ATOM 0 HB2 PRO A 58 12.574 -20.333 15.043 1.00 0.55 H new ATOM 0 HB3 PRO A 58 11.196 -19.264 14.876 1.00 0.55 H new ATOM 0 HG2 PRO A 58 11.184 -22.138 15.231 1.00 0.60 H new ATOM 0 HG3 PRO A 58 9.806 -21.057 15.154 1.00 0.60 H new ATOM 0 HD2 PRO A 58 10.670 -22.942 13.126 1.00 0.59 H new ATOM 0 HD3 PRO A 58 9.294 -21.860 13.048 1.00 0.59 H new ATOM 876 N SER A 59 13.829 -21.230 12.020 1.00 0.49 N ATOM 877 CA SER A 59 15.273 -21.490 11.752 1.00 0.52 C ATOM 878 C SER A 59 15.726 -20.723 10.506 1.00 0.48 C ATOM 879 O SER A 59 16.876 -20.346 10.389 1.00 0.51 O ATOM 880 CB SER A 59 15.491 -22.987 11.535 1.00 0.59 C ATOM 881 OG SER A 59 14.920 -23.368 10.291 1.00 1.30 O ATOM 0 H SER A 59 13.181 -21.902 11.609 1.00 0.49 H new ATOM 0 HA SER A 59 15.858 -21.154 12.608 1.00 0.52 H new ATOM 0 HB2 SER A 59 16.557 -23.216 11.545 1.00 0.59 H new ATOM 0 HB3 SER A 59 15.035 -23.554 12.347 1.00 0.59 H new ATOM 0 HG SER A 59 15.059 -24.327 10.147 1.00 1.30 H new ATOM 887 N LYS A 60 14.844 -20.487 9.571 1.00 0.46 N ATOM 888 CA LYS A 60 15.257 -19.746 8.344 1.00 0.45 C ATOM 889 C LYS A 60 15.086 -18.242 8.570 1.00 0.39 C ATOM 890 O LYS A 60 15.656 -17.432 7.867 1.00 0.40 O ATOM 891 CB LYS A 60 14.372 -20.154 7.165 1.00 0.49 C ATOM 892 CG LYS A 60 14.671 -21.589 6.731 1.00 0.57 C ATOM 893 CD LYS A 60 13.917 -21.874 5.428 1.00 1.20 C ATOM 894 CE LYS A 60 13.675 -23.376 5.280 1.00 1.67 C ATOM 895 NZ LYS A 60 14.981 -24.086 5.191 1.00 2.48 N ATOM 0 H LYS A 60 13.865 -20.772 9.603 1.00 0.46 H new ATOM 0 HA LYS A 60 16.299 -19.982 8.129 1.00 0.45 H new ATOM 0 HB2 LYS A 60 13.322 -20.066 7.445 1.00 0.49 H new ATOM 0 HB3 LYS A 60 14.537 -19.475 6.329 1.00 0.49 H new ATOM 0 HG2 LYS A 60 15.743 -21.724 6.585 1.00 0.57 H new ATOM 0 HG3 LYS A 60 14.364 -22.290 7.507 1.00 0.57 H new ATOM 0 HD2 LYS A 60 12.965 -21.342 5.425 1.00 1.20 H new ATOM 0 HD3 LYS A 60 14.491 -21.505 4.578 1.00 1.20 H new ATOM 0 HE2 LYS A 60 13.104 -23.748 6.131 1.00 1.67 H new ATOM 0 HE3 LYS A 60 13.081 -23.573 4.387 1.00 1.67 H new ATOM 0 HZ1 LYS A 60 14.824 -25.064 4.873 1.00 2.48 H new ATOM 0 HZ2 LYS A 60 15.597 -23.596 4.512 1.00 2.48 H new ATOM 0 HZ3 LYS A 60 15.436 -24.095 6.126 1.00 2.48 H new ATOM 909 N LEU A 61 14.295 -17.862 9.535 1.00 0.34 N ATOM 910 CA LEU A 61 14.080 -16.406 9.787 1.00 0.30 C ATOM 911 C LEU A 61 15.406 -15.745 10.173 1.00 0.32 C ATOM 912 O LEU A 61 15.699 -14.637 9.772 1.00 0.32 O ATOM 913 CB LEU A 61 13.082 -16.224 10.935 1.00 0.28 C ATOM 914 CG LEU A 61 11.760 -16.926 10.607 1.00 0.29 C ATOM 915 CD1 LEU A 61 10.767 -16.695 11.747 1.00 0.31 C ATOM 916 CD2 LEU A 61 11.175 -16.374 9.305 1.00 0.29 C ATOM 0 H LEU A 61 13.790 -18.492 10.158 1.00 0.34 H new ATOM 0 HA LEU A 61 13.690 -15.944 8.880 1.00 0.30 H new ATOM 0 HB2 LEU A 61 13.499 -16.631 11.856 1.00 0.28 H new ATOM 0 HB3 LEU A 61 12.905 -15.162 11.107 1.00 0.28 H new ATOM 0 HG LEU A 61 11.946 -17.993 10.487 1.00 0.29 H new ATOM 0 HD11 LEU A 61 9.826 -17.193 11.516 1.00 0.31 H new ATOM 0 HD12 LEU A 61 11.175 -17.101 12.673 1.00 0.31 H new ATOM 0 HD13 LEU A 61 10.592 -15.626 11.866 1.00 0.31 H new ATOM 0 HD21 LEU A 61 10.236 -16.882 9.084 1.00 0.29 H new ATOM 0 HD22 LEU A 61 10.993 -15.305 9.412 1.00 0.29 H new ATOM 0 HD23 LEU A 61 11.879 -16.542 8.490 1.00 0.29 H new ATOM 928 N SER A 62 16.202 -16.411 10.963 1.00 0.35 N ATOM 929 CA SER A 62 17.501 -15.819 11.396 1.00 0.40 C ATOM 930 C SER A 62 18.326 -15.333 10.188 1.00 0.43 C ATOM 931 O SER A 62 18.585 -14.153 10.065 1.00 0.43 O ATOM 932 CB SER A 62 18.288 -16.854 12.204 1.00 0.46 C ATOM 933 OG SER A 62 18.101 -16.602 13.590 1.00 0.90 O ATOM 0 H SER A 62 16.009 -17.343 11.329 1.00 0.35 H new ATOM 0 HA SER A 62 17.296 -14.950 12.022 1.00 0.40 H new ATOM 0 HB2 SER A 62 17.951 -17.860 11.956 1.00 0.46 H new ATOM 0 HB3 SER A 62 19.347 -16.802 11.952 1.00 0.46 H new ATOM 0 HG SER A 62 18.601 -17.263 14.113 1.00 0.90 H new ATOM 939 N PRO A 63 18.749 -16.208 9.298 1.00 0.46 N ATOM 940 CA PRO A 63 19.553 -15.775 8.121 1.00 0.51 C ATOM 941 C PRO A 63 18.998 -14.526 7.425 1.00 0.47 C ATOM 942 O PRO A 63 19.684 -13.534 7.280 1.00 0.48 O ATOM 943 CB PRO A 63 19.467 -16.990 7.197 1.00 0.56 C ATOM 944 CG PRO A 63 18.790 -18.137 7.955 1.00 0.52 C ATOM 945 CD PRO A 63 18.476 -17.669 9.379 1.00 0.48 C ATOM 0 HA PRO A 63 20.566 -15.488 8.404 1.00 0.51 H new ATOM 0 HB2 PRO A 63 18.899 -16.743 6.300 1.00 0.56 H new ATOM 0 HB3 PRO A 63 20.464 -17.288 6.872 1.00 0.56 H new ATOM 0 HG2 PRO A 63 17.874 -18.437 7.446 1.00 0.52 H new ATOM 0 HG3 PRO A 63 19.442 -19.010 7.980 1.00 0.52 H new ATOM 0 HD2 PRO A 63 17.442 -17.875 9.657 1.00 0.48 H new ATOM 0 HD3 PRO A 63 19.109 -18.161 10.118 1.00 0.48 H new ATOM 953 N LYS A 64 17.773 -14.567 6.977 1.00 0.44 N ATOM 954 CA LYS A 64 17.205 -13.380 6.277 1.00 0.44 C ATOM 955 C LYS A 64 16.958 -12.252 7.282 1.00 0.37 C ATOM 956 O LYS A 64 17.022 -11.087 6.942 1.00 0.37 O ATOM 957 CB LYS A 64 15.891 -13.762 5.589 1.00 0.48 C ATOM 958 CG LYS A 64 14.782 -13.937 6.639 1.00 0.47 C ATOM 959 CD LYS A 64 13.554 -14.620 6.017 1.00 0.65 C ATOM 960 CE LYS A 64 12.726 -13.599 5.228 1.00 1.10 C ATOM 961 NZ LYS A 64 12.214 -14.237 3.982 1.00 1.78 N ATOM 0 H LYS A 64 17.144 -15.365 7.064 1.00 0.44 H new ATOM 0 HA LYS A 64 17.915 -13.037 5.524 1.00 0.44 H new ATOM 0 HB2 LYS A 64 15.608 -12.990 4.873 1.00 0.48 H new ATOM 0 HB3 LYS A 64 16.020 -14.687 5.026 1.00 0.48 H new ATOM 0 HG2 LYS A 64 15.153 -14.533 7.473 1.00 0.47 H new ATOM 0 HG3 LYS A 64 14.499 -12.965 7.043 1.00 0.47 H new ATOM 0 HD2 LYS A 64 13.872 -15.428 5.359 1.00 0.65 H new ATOM 0 HD3 LYS A 64 12.942 -15.069 6.800 1.00 0.65 H new ATOM 0 HE2 LYS A 64 11.894 -13.241 5.835 1.00 1.10 H new ATOM 0 HE3 LYS A 64 13.337 -12.731 4.981 1.00 1.10 H new ATOM 0 HZ1 LYS A 64 12.352 -13.591 3.179 1.00 1.78 H new ATOM 0 HZ2 LYS A 64 12.731 -15.122 3.807 1.00 1.78 H new ATOM 0 HZ3 LYS A 64 11.200 -14.444 4.089 1.00 1.78 H new ATOM 975 N ALA A 65 16.675 -12.578 8.515 1.00 0.35 N ATOM 976 CA ALA A 65 16.426 -11.505 9.517 1.00 0.31 C ATOM 977 C ALA A 65 17.658 -10.602 9.606 1.00 0.32 C ATOM 978 O ALA A 65 17.550 -9.392 9.575 1.00 0.31 O ATOM 979 CB ALA A 65 16.150 -12.132 10.884 1.00 0.33 C ATOM 0 H ALA A 65 16.606 -13.532 8.868 1.00 0.35 H new ATOM 0 HA ALA A 65 15.562 -10.915 9.212 1.00 0.31 H new ATOM 0 HB1 ALA A 65 15.968 -11.345 11.615 1.00 0.33 H new ATOM 0 HB2 ALA A 65 15.273 -12.776 10.819 1.00 0.33 H new ATOM 0 HB3 ALA A 65 17.012 -12.723 11.194 1.00 0.33 H new ATOM 985 N LYS A 66 18.830 -11.172 9.710 1.00 0.36 N ATOM 986 CA LYS A 66 20.054 -10.325 9.790 1.00 0.39 C ATOM 987 C LYS A 66 20.169 -9.465 8.533 1.00 0.39 C ATOM 988 O LYS A 66 20.497 -8.298 8.599 1.00 0.39 O ATOM 989 CB LYS A 66 21.302 -11.208 9.901 1.00 0.47 C ATOM 990 CG LYS A 66 21.403 -11.808 11.305 1.00 0.50 C ATOM 991 CD LYS A 66 22.658 -12.684 11.385 1.00 0.60 C ATOM 992 CE LYS A 66 22.847 -13.201 12.814 1.00 0.91 C ATOM 993 NZ LYS A 66 21.985 -14.396 13.031 1.00 1.77 N ATOM 0 H LYS A 66 18.991 -12.179 9.743 1.00 0.36 H new ATOM 0 HA LYS A 66 19.979 -9.688 10.671 1.00 0.39 H new ATOM 0 HB2 LYS A 66 21.259 -12.006 9.159 1.00 0.47 H new ATOM 0 HB3 LYS A 66 22.193 -10.619 9.685 1.00 0.47 H new ATOM 0 HG2 LYS A 66 21.450 -11.015 12.051 1.00 0.50 H new ATOM 0 HG3 LYS A 66 20.515 -12.401 11.526 1.00 0.50 H new ATOM 0 HD2 LYS A 66 22.570 -13.523 10.695 1.00 0.60 H new ATOM 0 HD3 LYS A 66 23.532 -12.110 11.079 1.00 0.60 H new ATOM 0 HE2 LYS A 66 23.893 -13.459 12.983 1.00 0.91 H new ATOM 0 HE3 LYS A 66 22.591 -12.421 13.531 1.00 0.91 H new ATOM 0 HZ1 LYS A 66 22.115 -14.746 14.002 1.00 1.77 H new ATOM 0 HZ2 LYS A 66 20.988 -14.136 12.887 1.00 1.77 H new ATOM 0 HZ3 LYS A 66 22.249 -15.142 12.356 1.00 1.77 H new ATOM 1007 N LYS A 67 19.911 -10.030 7.385 1.00 0.40 N ATOM 1008 CA LYS A 67 20.019 -9.233 6.133 1.00 0.42 C ATOM 1009 C LYS A 67 18.977 -8.113 6.147 1.00 0.38 C ATOM 1010 O LYS A 67 19.294 -6.962 5.928 1.00 0.40 O ATOM 1011 CB LYS A 67 19.789 -10.150 4.931 1.00 0.47 C ATOM 1012 CG LYS A 67 20.949 -11.143 4.832 1.00 0.54 C ATOM 1013 CD LYS A 67 20.737 -12.070 3.634 1.00 1.02 C ATOM 1014 CE LYS A 67 21.902 -13.058 3.543 1.00 1.16 C ATOM 1015 NZ LYS A 67 21.726 -13.925 2.344 1.00 1.81 N ATOM 0 H LYS A 67 19.632 -11.003 7.261 1.00 0.40 H new ATOM 0 HA LYS A 67 21.012 -8.790 6.062 1.00 0.42 H new ATOM 0 HB2 LYS A 67 18.845 -10.684 5.040 1.00 0.47 H new ATOM 0 HB3 LYS A 67 19.718 -9.561 4.016 1.00 0.47 H new ATOM 0 HG2 LYS A 67 21.891 -10.606 4.725 1.00 0.54 H new ATOM 0 HG3 LYS A 67 21.018 -11.729 5.749 1.00 0.54 H new ATOM 0 HD2 LYS A 67 19.796 -12.609 3.740 1.00 1.02 H new ATOM 0 HD3 LYS A 67 20.668 -11.486 2.716 1.00 1.02 H new ATOM 0 HE2 LYS A 67 22.847 -12.518 3.479 1.00 1.16 H new ATOM 0 HE3 LYS A 67 21.945 -13.670 4.444 1.00 1.16 H new ATOM 0 HZ1 LYS A 67 22.518 -14.597 2.282 1.00 1.81 H new ATOM 0 HZ2 LYS A 67 20.832 -14.450 2.424 1.00 1.81 H new ATOM 0 HZ3 LYS A 67 21.705 -13.334 1.488 1.00 1.81 H new ATOM 1029 N ILE A 68 17.740 -8.430 6.425 1.00 0.34 N ATOM 1030 CA ILE A 68 16.700 -7.363 6.471 1.00 0.33 C ATOM 1031 C ILE A 68 17.025 -6.398 7.608 1.00 0.31 C ATOM 1032 O ILE A 68 16.998 -5.194 7.443 1.00 0.32 O ATOM 1033 CB ILE A 68 15.318 -7.985 6.700 1.00 0.34 C ATOM 1034 CG1 ILE A 68 14.877 -8.706 5.415 1.00 0.38 C ATOM 1035 CG2 ILE A 68 14.317 -6.879 7.055 1.00 0.37 C ATOM 1036 CD1 ILE A 68 13.757 -9.716 5.710 1.00 0.41 C ATOM 0 H ILE A 68 17.407 -9.374 6.621 1.00 0.34 H new ATOM 0 HA ILE A 68 16.690 -6.826 5.523 1.00 0.33 H new ATOM 0 HB ILE A 68 15.359 -8.702 7.520 1.00 0.34 H new ATOM 0 HG12 ILE A 68 14.530 -7.976 4.684 1.00 0.38 H new ATOM 0 HG13 ILE A 68 15.729 -9.221 4.971 1.00 0.38 H new ATOM 0 HG21 ILE A 68 13.333 -7.318 7.219 1.00 0.37 H new ATOM 0 HG22 ILE A 68 14.643 -6.371 7.962 1.00 0.37 H new ATOM 0 HG23 ILE A 68 14.263 -6.161 6.237 1.00 0.37 H new ATOM 0 HD11 ILE A 68 13.462 -10.213 4.786 1.00 0.41 H new ATOM 0 HD12 ILE A 68 14.115 -10.459 6.423 1.00 0.41 H new ATOM 0 HD13 ILE A 68 12.898 -9.194 6.131 1.00 0.41 H new ATOM 1048 N TYR A 69 17.336 -6.917 8.762 1.00 0.30 N ATOM 1049 CA TYR A 69 17.665 -6.032 9.908 1.00 0.30 C ATOM 1050 C TYR A 69 18.875 -5.168 9.555 1.00 0.31 C ATOM 1051 O TYR A 69 18.864 -3.965 9.721 1.00 0.33 O ATOM 1052 CB TYR A 69 17.999 -6.888 11.129 1.00 0.32 C ATOM 1053 CG TYR A 69 18.346 -5.995 12.296 1.00 0.32 C ATOM 1054 CD1 TYR A 69 19.645 -5.490 12.428 1.00 0.35 C ATOM 1055 CD2 TYR A 69 17.374 -5.683 13.253 1.00 0.34 C ATOM 1056 CE1 TYR A 69 19.972 -4.672 13.515 1.00 0.38 C ATOM 1057 CE2 TYR A 69 17.699 -4.864 14.340 1.00 0.37 C ATOM 1058 CZ TYR A 69 18.999 -4.359 14.472 1.00 0.38 C ATOM 1059 OH TYR A 69 19.320 -3.553 15.544 1.00 0.42 O ATOM 0 H TYR A 69 17.376 -7.917 8.959 1.00 0.30 H new ATOM 0 HA TYR A 69 16.811 -5.392 10.129 1.00 0.30 H new ATOM 0 HB2 TYR A 69 17.150 -7.522 11.384 1.00 0.32 H new ATOM 0 HB3 TYR A 69 18.835 -7.550 10.904 1.00 0.32 H new ATOM 0 HD1 TYR A 69 20.395 -5.732 11.690 1.00 0.35 H new ATOM 0 HD2 TYR A 69 16.372 -6.075 13.153 1.00 0.34 H new ATOM 0 HE1 TYR A 69 20.974 -4.282 13.616 1.00 0.38 H new ATOM 0 HE2 TYR A 69 16.948 -4.621 15.077 1.00 0.37 H new ATOM 0 HH TYR A 69 18.656 -2.837 15.625 1.00 0.42 H new ATOM 1069 N ASN A 70 19.922 -5.778 9.072 1.00 0.33 N ATOM 1070 CA ASN A 70 21.137 -4.999 8.710 1.00 0.36 C ATOM 1071 C ASN A 70 20.846 -4.115 7.497 1.00 0.36 C ATOM 1072 O ASN A 70 21.461 -3.088 7.305 1.00 0.41 O ATOM 1073 CB ASN A 70 22.282 -5.958 8.376 1.00 0.40 C ATOM 1074 CG ASN A 70 22.752 -6.658 9.653 1.00 0.44 C ATOM 1075 OD1 ASN A 70 22.635 -6.116 10.734 1.00 1.05 O ATOM 1076 ND2 ASN A 70 23.282 -7.847 9.573 1.00 0.99 N ATOM 0 H ASN A 70 19.988 -6.783 8.913 1.00 0.33 H new ATOM 0 HA ASN A 70 21.421 -4.371 9.554 1.00 0.36 H new ATOM 0 HB2 ASN A 70 21.951 -6.696 7.645 1.00 0.40 H new ATOM 0 HB3 ASN A 70 23.109 -5.410 7.924 1.00 0.40 H new ATOM 0 HD21 ASN A 70 23.598 -8.322 10.418 1.00 0.99 H new ATOM 0 HD22 ASN A 70 23.380 -8.302 8.665 1.00 0.99 H new ATOM 1083 N GLU A 71 19.934 -4.518 6.659 1.00 0.34 N ATOM 1084 CA GLU A 71 19.631 -3.703 5.451 1.00 0.37 C ATOM 1085 C GLU A 71 18.599 -2.605 5.760 1.00 0.37 C ATOM 1086 O GLU A 71 18.784 -1.461 5.395 1.00 0.56 O ATOM 1087 CB GLU A 71 19.089 -4.618 4.347 1.00 0.42 C ATOM 1088 CG GLU A 71 18.967 -3.832 3.039 1.00 1.01 C ATOM 1089 CD GLU A 71 18.496 -4.768 1.923 1.00 1.15 C ATOM 1090 OE1 GLU A 71 18.475 -5.967 2.151 1.00 1.57 O ATOM 1091 OE2 GLU A 71 18.168 -4.270 0.858 1.00 1.71 O ATOM 0 H GLU A 71 19.387 -5.373 6.757 1.00 0.34 H new ATOM 0 HA GLU A 71 20.552 -3.220 5.123 1.00 0.37 H new ATOM 0 HB2 GLU A 71 19.754 -5.471 4.209 1.00 0.42 H new ATOM 0 HB3 GLU A 71 18.116 -5.015 4.636 1.00 0.42 H new ATOM 0 HG2 GLU A 71 18.262 -3.010 3.161 1.00 1.01 H new ATOM 0 HG3 GLU A 71 19.928 -3.391 2.776 1.00 1.01 H new ATOM 1098 N PHE A 72 17.492 -2.951 6.376 1.00 0.36 N ATOM 1099 CA PHE A 72 16.426 -1.926 6.640 1.00 0.38 C ATOM 1100 C PHE A 72 16.428 -1.382 8.083 1.00 0.37 C ATOM 1101 O PHE A 72 16.004 -0.265 8.308 1.00 0.45 O ATOM 1102 CB PHE A 72 15.065 -2.563 6.364 1.00 0.41 C ATOM 1103 CG PHE A 72 14.904 -2.793 4.880 1.00 0.39 C ATOM 1104 CD1 PHE A 72 14.338 -1.798 4.075 1.00 0.45 C ATOM 1105 CD2 PHE A 72 15.318 -4.003 4.311 1.00 0.39 C ATOM 1106 CE1 PHE A 72 14.185 -2.014 2.700 1.00 0.47 C ATOM 1107 CE2 PHE A 72 15.166 -4.218 2.936 1.00 0.40 C ATOM 1108 CZ PHE A 72 14.599 -3.224 2.131 1.00 0.43 C ATOM 0 H PHE A 72 17.280 -3.892 6.706 1.00 0.36 H new ATOM 0 HA PHE A 72 16.630 -1.080 5.984 1.00 0.38 H new ATOM 0 HB2 PHE A 72 14.979 -3.508 6.900 1.00 0.41 H new ATOM 0 HB3 PHE A 72 14.268 -1.916 6.730 1.00 0.41 H new ATOM 0 HD1 PHE A 72 14.019 -0.864 4.514 1.00 0.45 H new ATOM 0 HD2 PHE A 72 15.755 -4.771 4.933 1.00 0.39 H new ATOM 0 HE1 PHE A 72 13.747 -1.247 2.078 1.00 0.47 H new ATOM 0 HE2 PHE A 72 15.486 -5.151 2.497 1.00 0.40 H new ATOM 0 HZ PHE A 72 14.481 -3.390 1.070 1.00 0.43 H new ATOM 1118 N ILE A 73 16.844 -2.144 9.065 1.00 0.33 N ATOM 1119 CA ILE A 73 16.790 -1.622 10.476 1.00 0.35 C ATOM 1120 C ILE A 73 18.141 -1.048 10.913 1.00 0.38 C ATOM 1121 O ILE A 73 18.235 -0.385 11.928 1.00 0.40 O ATOM 1122 CB ILE A 73 16.417 -2.762 11.430 1.00 0.34 C ATOM 1123 CG1 ILE A 73 15.064 -3.376 11.022 1.00 0.35 C ATOM 1124 CG2 ILE A 73 16.343 -2.234 12.869 1.00 0.39 C ATOM 1125 CD1 ILE A 73 13.944 -2.324 11.048 1.00 0.40 C ATOM 0 H ILE A 73 17.213 -3.089 8.960 1.00 0.33 H new ATOM 0 HA ILE A 73 16.043 -0.829 10.509 1.00 0.35 H new ATOM 0 HB ILE A 73 17.183 -3.535 11.373 1.00 0.34 H new ATOM 0 HG12 ILE A 73 15.142 -3.802 10.022 1.00 0.35 H new ATOM 0 HG13 ILE A 73 14.814 -4.193 11.698 1.00 0.35 H new ATOM 0 HG21 ILE A 73 16.077 -3.049 13.542 1.00 0.39 H new ATOM 0 HG22 ILE A 73 17.312 -1.826 13.157 1.00 0.39 H new ATOM 0 HG23 ILE A 73 15.587 -1.451 12.931 1.00 0.39 H new ATOM 0 HD11 ILE A 73 13.002 -2.788 10.755 1.00 0.40 H new ATOM 0 HD12 ILE A 73 13.851 -1.917 12.055 1.00 0.40 H new ATOM 0 HD13 ILE A 73 14.184 -1.520 10.352 1.00 0.40 H new ATOM 1137 N SER A 74 19.188 -1.295 10.182 1.00 0.45 N ATOM 1138 CA SER A 74 20.516 -0.755 10.599 1.00 0.50 C ATOM 1139 C SER A 74 20.479 0.771 10.656 1.00 0.43 C ATOM 1140 O SER A 74 20.057 1.428 9.725 1.00 0.43 O ATOM 1141 CB SER A 74 21.586 -1.181 9.600 1.00 0.65 C ATOM 1142 OG SER A 74 22.663 -0.254 9.645 1.00 1.39 O ATOM 0 H SER A 74 19.187 -1.842 9.321 1.00 0.45 H new ATOM 0 HA SER A 74 20.750 -1.149 11.588 1.00 0.50 H new ATOM 0 HB2 SER A 74 21.943 -2.183 9.837 1.00 0.65 H new ATOM 0 HB3 SER A 74 21.167 -1.221 8.595 1.00 0.65 H new ATOM 0 HG SER A 74 23.354 -0.525 9.005 1.00 1.39 H new ATOM 1148 N VAL A 75 20.949 1.341 11.731 1.00 0.44 N ATOM 1149 CA VAL A 75 20.976 2.824 11.832 1.00 0.47 C ATOM 1150 C VAL A 75 21.865 3.363 10.711 1.00 0.51 C ATOM 1151 O VAL A 75 21.825 4.529 10.374 1.00 0.58 O ATOM 1152 CB VAL A 75 21.543 3.241 13.191 1.00 0.55 C ATOM 1153 CG1 VAL A 75 20.580 2.811 14.300 1.00 0.58 C ATOM 1154 CG2 VAL A 75 22.898 2.565 13.405 1.00 0.62 C ATOM 0 H VAL A 75 21.315 0.843 12.542 1.00 0.44 H new ATOM 0 HA VAL A 75 19.967 3.226 11.738 1.00 0.47 H new ATOM 0 HB VAL A 75 21.667 4.324 13.216 1.00 0.55 H new ATOM 0 HG11 VAL A 75 20.984 3.108 15.268 1.00 0.58 H new ATOM 0 HG12 VAL A 75 19.613 3.290 14.148 1.00 0.58 H new ATOM 0 HG13 VAL A 75 20.457 1.728 14.275 1.00 0.58 H new ATOM 0 HG21 VAL A 75 23.303 2.861 14.373 1.00 0.62 H new ATOM 0 HG22 VAL A 75 22.773 1.483 13.380 1.00 0.62 H new ATOM 0 HG23 VAL A 75 23.585 2.869 12.615 1.00 0.62 H new ATOM 1164 N GLN A 76 22.672 2.511 10.135 1.00 0.53 N ATOM 1165 CA GLN A 76 23.575 2.948 9.032 1.00 0.64 C ATOM 1166 C GLN A 76 22.959 2.549 7.688 1.00 0.61 C ATOM 1167 O GLN A 76 23.519 2.798 6.639 1.00 0.71 O ATOM 1168 CB GLN A 76 24.932 2.257 9.185 1.00 0.75 C ATOM 1169 CG GLN A 76 25.643 2.783 10.434 1.00 0.81 C ATOM 1170 CD GLN A 76 26.971 2.043 10.613 1.00 1.29 C ATOM 1171 OE1 GLN A 76 27.267 1.119 9.882 1.00 1.74 O ATOM 1172 NE2 GLN A 76 27.786 2.408 11.564 1.00 1.77 N ATOM 0 H GLN A 76 22.744 1.524 10.384 1.00 0.53 H new ATOM 0 HA GLN A 76 23.705 4.029 9.073 1.00 0.64 H new ATOM 0 HB2 GLN A 76 24.795 1.178 9.260 1.00 0.75 H new ATOM 0 HB3 GLN A 76 25.545 2.439 8.302 1.00 0.75 H new ATOM 0 HG2 GLN A 76 25.821 3.854 10.341 1.00 0.81 H new ATOM 0 HG3 GLN A 76 25.013 2.640 11.312 1.00 0.81 H new ATOM 0 HE21 GLN A 76 27.538 3.184 12.178 1.00 1.77 H new ATOM 0 HE22 GLN A 76 28.671 1.918 11.693 1.00 1.77 H new ATOM 1181 N ALA A 77 21.812 1.927 7.712 1.00 0.52 N ATOM 1182 CA ALA A 77 21.160 1.506 6.438 1.00 0.53 C ATOM 1183 C ALA A 77 21.098 2.688 5.471 1.00 0.57 C ATOM 1184 O ALA A 77 20.834 3.808 5.860 1.00 0.58 O ATOM 1185 CB ALA A 77 19.736 1.022 6.723 1.00 0.51 C ATOM 0 H ALA A 77 21.297 1.691 8.560 1.00 0.52 H new ATOM 0 HA ALA A 77 21.742 0.699 5.993 1.00 0.53 H new ATOM 0 HB1 ALA A 77 19.262 0.715 5.790 1.00 0.51 H new ATOM 0 HB2 ALA A 77 19.770 0.175 7.408 1.00 0.51 H new ATOM 0 HB3 ALA A 77 19.160 1.831 7.173 1.00 0.51 H new ATOM 1191 N THR A 78 21.329 2.445 4.210 1.00 0.64 N ATOM 1192 CA THR A 78 21.269 3.553 3.218 1.00 0.71 C ATOM 1193 C THR A 78 19.814 3.993 3.055 1.00 0.66 C ATOM 1194 O THR A 78 19.532 5.083 2.597 1.00 0.74 O ATOM 1195 CB THR A 78 21.807 3.063 1.871 1.00 0.82 C ATOM 1196 OG1 THR A 78 20.904 2.115 1.320 1.00 0.80 O ATOM 1197 CG2 THR A 78 23.175 2.409 2.071 1.00 0.94 C ATOM 0 H THR A 78 21.556 1.528 3.825 1.00 0.64 H new ATOM 0 HA THR A 78 21.874 4.392 3.563 1.00 0.71 H new ATOM 0 HB THR A 78 21.908 3.909 1.191 1.00 0.82 H new ATOM 0 HG1 THR A 78 21.246 1.801 0.457 1.00 0.80 H new ATOM 0 HG21 THR A 78 23.556 2.061 1.111 1.00 0.94 H new ATOM 0 HG22 THR A 78 23.868 3.137 2.494 1.00 0.94 H new ATOM 0 HG23 THR A 78 23.078 1.563 2.751 1.00 0.94 H new ATOM 1205 N LYS A 79 18.891 3.145 3.431 1.00 0.58 N ATOM 1206 CA LYS A 79 17.443 3.488 3.310 1.00 0.59 C ATOM 1207 C LYS A 79 16.723 3.139 4.616 1.00 0.51 C ATOM 1208 O LYS A 79 15.948 2.207 4.682 1.00 0.50 O ATOM 1209 CB LYS A 79 16.826 2.697 2.150 1.00 0.64 C ATOM 1210 CG LYS A 79 17.285 1.236 2.210 1.00 0.62 C ATOM 1211 CD LYS A 79 16.664 0.456 1.049 1.00 0.75 C ATOM 1212 CE LYS A 79 17.122 -1.002 1.109 1.00 1.04 C ATOM 1213 NZ LYS A 79 16.747 -1.694 -0.157 1.00 1.61 N ATOM 0 H LYS A 79 19.081 2.221 3.820 1.00 0.58 H new ATOM 0 HA LYS A 79 17.336 4.555 3.116 1.00 0.59 H new ATOM 0 HB2 LYS A 79 15.738 2.748 2.202 1.00 0.64 H new ATOM 0 HB3 LYS A 79 17.121 3.141 1.199 1.00 0.64 H new ATOM 0 HG2 LYS A 79 18.372 1.183 2.157 1.00 0.62 H new ATOM 0 HG3 LYS A 79 16.990 0.790 3.160 1.00 0.62 H new ATOM 0 HD2 LYS A 79 15.577 0.509 1.102 1.00 0.75 H new ATOM 0 HD3 LYS A 79 16.959 0.902 0.099 1.00 0.75 H new ATOM 0 HE2 LYS A 79 18.201 -1.049 1.256 1.00 1.04 H new ATOM 0 HE3 LYS A 79 16.662 -1.504 1.960 1.00 1.04 H new ATOM 0 HZ1 LYS A 79 17.118 -2.666 -0.144 1.00 1.61 H new ATOM 0 HZ2 LYS A 79 15.711 -1.720 -0.245 1.00 1.61 H new ATOM 0 HZ3 LYS A 79 17.150 -1.180 -0.966 1.00 1.61 H new ATOM 1227 N GLU A 80 16.969 3.886 5.657 1.00 0.51 N ATOM 1228 CA GLU A 80 16.296 3.598 6.955 1.00 0.47 C ATOM 1229 C GLU A 80 14.783 3.704 6.770 1.00 0.43 C ATOM 1230 O GLU A 80 14.298 4.526 6.019 1.00 0.49 O ATOM 1231 CB GLU A 80 16.743 4.615 8.006 1.00 0.55 C ATOM 1232 CG GLU A 80 18.205 4.365 8.377 1.00 0.62 C ATOM 1233 CD GLU A 80 18.646 5.402 9.410 1.00 1.22 C ATOM 1234 OE1 GLU A 80 17.781 6.050 9.976 1.00 1.91 O ATOM 1235 OE2 GLU A 80 19.839 5.528 9.622 1.00 1.84 O ATOM 0 H GLU A 80 17.606 4.682 5.665 1.00 0.51 H new ATOM 0 HA GLU A 80 16.563 2.594 7.285 1.00 0.47 H new ATOM 0 HB2 GLU A 80 16.624 5.627 7.620 1.00 0.55 H new ATOM 0 HB3 GLU A 80 16.114 4.536 8.893 1.00 0.55 H new ATOM 0 HG2 GLU A 80 18.323 3.359 8.780 1.00 0.62 H new ATOM 0 HG3 GLU A 80 18.834 4.428 7.489 1.00 0.62 H new ATOM 1242 N VAL A 81 14.035 2.882 7.451 1.00 0.39 N ATOM 1243 CA VAL A 81 12.552 2.933 7.317 1.00 0.37 C ATOM 1244 C VAL A 81 11.974 3.772 8.457 1.00 0.37 C ATOM 1245 O VAL A 81 12.532 3.837 9.535 1.00 0.38 O ATOM 1246 CB VAL A 81 11.986 1.514 7.394 1.00 0.38 C ATOM 1247 CG1 VAL A 81 12.211 0.801 6.060 1.00 0.43 C ATOM 1248 CG2 VAL A 81 12.698 0.745 8.508 1.00 0.38 C ATOM 0 H VAL A 81 14.387 2.175 8.096 1.00 0.39 H new ATOM 0 HA VAL A 81 12.285 3.380 6.359 1.00 0.37 H new ATOM 0 HB VAL A 81 10.918 1.559 7.605 1.00 0.38 H new ATOM 0 HG11 VAL A 81 11.808 -0.210 6.115 1.00 0.43 H new ATOM 0 HG12 VAL A 81 11.707 1.350 5.265 1.00 0.43 H new ATOM 0 HG13 VAL A 81 13.279 0.754 5.848 1.00 0.43 H new ATOM 0 HG21 VAL A 81 12.297 -0.267 8.565 1.00 0.38 H new ATOM 0 HG22 VAL A 81 13.766 0.700 8.294 1.00 0.38 H new ATOM 0 HG23 VAL A 81 12.539 1.253 9.459 1.00 0.38 H new ATOM 1258 N ASN A 82 10.865 4.420 8.231 1.00 0.41 N ATOM 1259 CA ASN A 82 10.267 5.255 9.309 1.00 0.45 C ATOM 1260 C ASN A 82 9.641 4.343 10.364 1.00 0.42 C ATOM 1261 O ASN A 82 8.602 3.750 10.153 1.00 0.45 O ATOM 1262 CB ASN A 82 9.188 6.160 8.713 1.00 0.55 C ATOM 1263 CG ASN A 82 8.373 5.370 7.689 1.00 0.56 C ATOM 1264 OD1 ASN A 82 7.790 6.004 6.709 1.00 1.10 O flip ATOM 1265 ND2 ASN A 82 8.264 4.164 7.781 1.00 1.18 N flip ATOM 0 H ASN A 82 10.349 4.408 7.351 1.00 0.41 H new ATOM 0 HA ASN A 82 11.041 5.869 9.769 1.00 0.45 H new ATOM 0 HB2 ASN A 82 8.536 6.536 9.502 1.00 0.55 H new ATOM 0 HB3 ASN A 82 9.647 7.028 8.238 1.00 0.55 H new ATOM 0 HD21 ASN A 82 8.720 3.668 8.547 1.00 1.18 H new ATOM 0 HD22 ASN A 82 7.717 3.647 7.092 1.00 1.18 H new ATOM 1272 N LEU A 83 10.273 4.228 11.498 1.00 0.40 N ATOM 1273 CA LEU A 83 9.733 3.357 12.580 1.00 0.42 C ATOM 1274 C LEU A 83 10.050 3.988 13.935 1.00 0.45 C ATOM 1275 O LEU A 83 10.908 4.840 14.048 1.00 0.48 O ATOM 1276 CB LEU A 83 10.381 1.969 12.510 1.00 0.41 C ATOM 1277 CG LEU A 83 9.846 1.190 11.302 1.00 0.45 C ATOM 1278 CD1 LEU A 83 10.631 -0.114 11.154 1.00 0.49 C ATOM 1279 CD2 LEU A 83 8.358 0.868 11.496 1.00 0.51 C ATOM 0 H LEU A 83 11.147 4.703 11.724 1.00 0.40 H new ATOM 0 HA LEU A 83 8.655 3.257 12.455 1.00 0.42 H new ATOM 0 HB2 LEU A 83 11.464 2.069 12.436 1.00 0.41 H new ATOM 0 HB3 LEU A 83 10.174 1.417 13.427 1.00 0.41 H new ATOM 0 HG LEU A 83 9.964 1.798 10.405 1.00 0.45 H new ATOM 0 HD11 LEU A 83 10.253 -0.671 10.296 1.00 0.49 H new ATOM 0 HD12 LEU A 83 11.687 0.112 11.004 1.00 0.49 H new ATOM 0 HD13 LEU A 83 10.513 -0.714 12.056 1.00 0.49 H new ATOM 0 HD21 LEU A 83 7.990 0.315 10.632 1.00 0.51 H new ATOM 0 HD22 LEU A 83 8.231 0.264 12.395 1.00 0.51 H new ATOM 0 HD23 LEU A 83 7.795 1.796 11.600 1.00 0.51 H new ATOM 1291 N ASP A 84 9.366 3.575 14.965 1.00 0.49 N ATOM 1292 CA ASP A 84 9.632 4.152 16.310 1.00 0.55 C ATOM 1293 C ASP A 84 10.994 3.662 16.807 1.00 0.50 C ATOM 1294 O ASP A 84 11.517 2.672 16.335 1.00 0.46 O ATOM 1295 CB ASP A 84 8.542 3.700 17.283 1.00 0.64 C ATOM 1296 CG ASP A 84 7.178 4.184 16.786 1.00 1.25 C ATOM 1297 OD1 ASP A 84 7.152 4.927 15.819 1.00 2.00 O ATOM 1298 OD2 ASP A 84 6.183 3.793 17.374 1.00 2.03 O ATOM 0 H ASP A 84 8.635 2.864 14.933 1.00 0.49 H new ATOM 0 HA ASP A 84 9.634 5.240 16.248 1.00 0.55 H new ATOM 0 HB2 ASP A 84 8.545 2.613 17.369 1.00 0.64 H new ATOM 0 HB3 ASP A 84 8.740 4.099 18.278 1.00 0.64 H new ATOM 1303 N SER A 85 11.575 4.349 17.752 1.00 0.55 N ATOM 1304 CA SER A 85 12.905 3.922 18.273 1.00 0.56 C ATOM 1305 C SER A 85 12.749 2.625 19.067 1.00 0.51 C ATOM 1306 O SER A 85 13.688 1.874 19.239 1.00 0.51 O ATOM 1307 CB SER A 85 13.475 5.012 19.182 1.00 0.68 C ATOM 1308 OG SER A 85 13.624 6.213 18.437 1.00 1.48 O ATOM 0 H SER A 85 11.187 5.187 18.186 1.00 0.55 H new ATOM 0 HA SER A 85 13.585 3.757 17.437 1.00 0.56 H new ATOM 0 HB2 SER A 85 12.812 5.177 20.031 1.00 0.68 H new ATOM 0 HB3 SER A 85 14.438 4.699 19.585 1.00 0.68 H new ATOM 0 HG SER A 85 13.988 6.915 19.017 1.00 1.48 H new ATOM 1314 N CYS A 86 11.569 2.354 19.553 1.00 0.53 N ATOM 1315 CA CYS A 86 11.355 1.104 20.334 1.00 0.54 C ATOM 1316 C CYS A 86 11.120 -0.061 19.371 1.00 0.48 C ATOM 1317 O CYS A 86 11.554 -1.171 19.606 1.00 0.47 O ATOM 1318 CB CYS A 86 10.129 1.272 21.236 1.00 0.64 C ATOM 1319 SG CYS A 86 10.548 0.782 22.927 1.00 1.74 S ATOM 0 H CYS A 86 10.744 2.944 19.443 1.00 0.53 H new ATOM 0 HA CYS A 86 12.234 0.901 20.946 1.00 0.54 H new ATOM 0 HB2 CYS A 86 9.792 2.309 21.220 1.00 0.64 H new ATOM 0 HB3 CYS A 86 9.305 0.663 20.864 1.00 0.64 H new ATOM 0 HG CYS A 86 9.507 0.927 23.692 1.00 1.74 H new ATOM 1325 N THR A 87 10.433 0.183 18.290 1.00 0.45 N ATOM 1326 CA THR A 87 10.167 -0.910 17.314 1.00 0.42 C ATOM 1327 C THR A 87 11.496 -1.463 16.789 1.00 0.38 C ATOM 1328 O THR A 87 11.717 -2.658 16.771 1.00 0.38 O ATOM 1329 CB THR A 87 9.344 -0.356 16.145 1.00 0.45 C ATOM 1330 OG1 THR A 87 8.140 0.208 16.647 1.00 0.50 O ATOM 1331 CG2 THR A 87 9.000 -1.485 15.169 1.00 0.48 C ATOM 0 H THR A 87 10.044 1.092 18.040 1.00 0.45 H new ATOM 0 HA THR A 87 9.612 -1.710 17.804 1.00 0.42 H new ATOM 0 HB THR A 87 9.925 0.406 15.625 1.00 0.45 H new ATOM 0 HG1 THR A 87 7.381 -0.352 16.382 1.00 0.50 H new ATOM 0 HG21 THR A 87 8.415 -1.085 14.341 1.00 0.48 H new ATOM 0 HG22 THR A 87 9.919 -1.926 14.784 1.00 0.48 H new ATOM 0 HG23 THR A 87 8.420 -2.249 15.686 1.00 0.48 H new ATOM 1339 N ARG A 88 12.383 -0.606 16.354 1.00 0.37 N ATOM 1340 CA ARG A 88 13.689 -1.094 15.825 1.00 0.37 C ATOM 1341 C ARG A 88 14.433 -1.857 16.921 1.00 0.37 C ATOM 1342 O ARG A 88 14.927 -2.947 16.707 1.00 0.36 O ATOM 1343 CB ARG A 88 14.545 0.094 15.382 1.00 0.41 C ATOM 1344 CG ARG A 88 13.907 0.771 14.169 1.00 0.47 C ATOM 1345 CD ARG A 88 14.885 1.795 13.590 1.00 0.93 C ATOM 1346 NE ARG A 88 14.123 2.890 12.929 1.00 1.81 N ATOM 1347 CZ ARG A 88 14.728 4.002 12.610 1.00 2.49 C ATOM 1348 NH1 ARG A 88 16.008 4.134 12.829 1.00 2.58 N ATOM 1349 NH2 ARG A 88 14.055 4.979 12.068 1.00 3.58 N ATOM 0 H ARG A 88 12.259 0.406 16.343 1.00 0.37 H new ATOM 0 HA ARG A 88 13.504 -1.751 14.975 1.00 0.37 H new ATOM 0 HB2 ARG A 88 14.642 0.809 16.199 1.00 0.41 H new ATOM 0 HB3 ARG A 88 15.551 -0.244 15.134 1.00 0.41 H new ATOM 0 HG2 ARG A 88 13.653 0.027 13.414 1.00 0.47 H new ATOM 0 HG3 ARG A 88 12.978 1.262 14.459 1.00 0.47 H new ATOM 0 HD2 ARG A 88 15.514 2.202 14.382 1.00 0.93 H new ATOM 0 HD3 ARG A 88 15.549 1.314 12.871 1.00 0.93 H new ATOM 0 HE ARG A 88 13.130 2.772 12.726 1.00 1.81 H new ATOM 0 HH11 ARG A 88 16.535 3.369 13.249 1.00 2.58 H new ATOM 0 HH12 ARG A 88 16.481 5.003 12.580 1.00 2.58 H new ATOM 0 HH21 ARG A 88 13.056 4.874 11.893 1.00 3.58 H new ATOM 0 HH22 ARG A 88 14.528 5.848 11.819 1.00 3.58 H new ATOM 1363 N GLU A 89 14.521 -1.292 18.094 1.00 0.40 N ATOM 1364 CA GLU A 89 15.238 -1.987 19.199 1.00 0.43 C ATOM 1365 C GLU A 89 14.559 -3.325 19.479 1.00 0.41 C ATOM 1366 O GLU A 89 15.207 -4.326 19.711 1.00 0.42 O ATOM 1367 CB GLU A 89 15.198 -1.120 20.459 1.00 0.49 C ATOM 1368 CG GLU A 89 16.086 0.110 20.262 1.00 0.53 C ATOM 1369 CD GLU A 89 16.046 0.975 21.523 1.00 0.95 C ATOM 1370 OE1 GLU A 89 15.223 0.700 22.380 1.00 1.54 O ATOM 1371 OE2 GLU A 89 16.839 1.898 21.609 1.00 1.64 O ATOM 0 H GLU A 89 14.128 -0.382 18.334 1.00 0.40 H new ATOM 0 HA GLU A 89 16.275 -2.158 18.910 1.00 0.43 H new ATOM 0 HB2 GLU A 89 14.174 -0.812 20.669 1.00 0.49 H new ATOM 0 HB3 GLU A 89 15.541 -1.695 21.319 1.00 0.49 H new ATOM 0 HG2 GLU A 89 17.110 -0.198 20.051 1.00 0.53 H new ATOM 0 HG3 GLU A 89 15.743 0.686 19.402 1.00 0.53 H new ATOM 1378 N GLU A 90 13.257 -3.352 19.456 1.00 0.42 N ATOM 1379 CA GLU A 90 12.542 -4.628 19.717 1.00 0.44 C ATOM 1380 C GLU A 90 12.958 -5.663 18.671 1.00 0.40 C ATOM 1381 O GLU A 90 13.167 -6.820 18.979 1.00 0.43 O ATOM 1382 CB GLU A 90 11.032 -4.395 19.645 1.00 0.49 C ATOM 1383 CG GLU A 90 10.301 -5.653 20.116 1.00 1.00 C ATOM 1384 CD GLU A 90 8.802 -5.368 20.207 1.00 1.19 C ATOM 1385 OE1 GLU A 90 8.429 -4.215 20.058 1.00 1.85 O ATOM 1386 OE2 GLU A 90 8.052 -6.305 20.424 1.00 1.64 O ATOM 0 H GLU A 90 12.659 -2.547 19.268 1.00 0.42 H new ATOM 0 HA GLU A 90 12.798 -4.994 20.711 1.00 0.44 H new ATOM 0 HB2 GLU A 90 10.754 -3.545 20.268 1.00 0.49 H new ATOM 0 HB3 GLU A 90 10.739 -4.151 18.624 1.00 0.49 H new ATOM 0 HG2 GLU A 90 10.484 -6.474 19.423 1.00 1.00 H new ATOM 0 HG3 GLU A 90 10.682 -5.965 21.088 1.00 1.00 H new ATOM 1393 N THR A 91 13.085 -5.259 17.433 1.00 0.37 N ATOM 1394 CA THR A 91 13.492 -6.227 16.378 1.00 0.36 C ATOM 1395 C THR A 91 14.904 -6.726 16.678 1.00 0.36 C ATOM 1396 O THR A 91 15.208 -7.887 16.506 1.00 0.41 O ATOM 1397 CB THR A 91 13.482 -5.543 15.009 1.00 0.35 C ATOM 1398 OG1 THR A 91 12.267 -4.824 14.849 1.00 0.43 O ATOM 1399 CG2 THR A 91 13.591 -6.600 13.910 1.00 0.39 C ATOM 0 H THR A 91 12.925 -4.305 17.111 1.00 0.37 H new ATOM 0 HA THR A 91 12.793 -7.063 16.366 1.00 0.36 H new ATOM 0 HB THR A 91 14.326 -4.856 14.941 1.00 0.35 H new ATOM 0 HG1 THR A 91 12.271 -4.040 15.437 1.00 0.43 H new ATOM 0 HG21 THR A 91 13.584 -6.113 12.935 1.00 0.39 H new ATOM 0 HG22 THR A 91 14.521 -7.156 14.031 1.00 0.39 H new ATOM 0 HG23 THR A 91 12.746 -7.285 13.979 1.00 0.39 H new ATOM 1407 N SER A 92 15.770 -5.850 17.119 1.00 0.35 N ATOM 1408 CA SER A 92 17.170 -6.263 17.422 1.00 0.39 C ATOM 1409 C SER A 92 17.170 -7.345 18.505 1.00 0.41 C ATOM 1410 O SER A 92 17.917 -8.300 18.443 1.00 0.47 O ATOM 1411 CB SER A 92 17.957 -5.050 17.920 1.00 0.42 C ATOM 1412 OG SER A 92 17.490 -4.685 19.212 1.00 0.40 O ATOM 0 H SER A 92 15.566 -4.864 17.282 1.00 0.35 H new ATOM 0 HA SER A 92 17.632 -6.659 16.518 1.00 0.39 H new ATOM 0 HB2 SER A 92 19.021 -5.283 17.958 1.00 0.42 H new ATOM 0 HB3 SER A 92 17.838 -4.216 17.229 1.00 0.42 H new ATOM 0 HG SER A 92 16.526 -4.510 19.174 1.00 0.40 H new ATOM 1418 N ARG A 93 16.344 -7.202 19.502 1.00 0.40 N ATOM 1419 CA ARG A 93 16.305 -8.228 20.580 1.00 0.45 C ATOM 1420 C ARG A 93 15.696 -9.526 20.034 1.00 0.44 C ATOM 1421 O ARG A 93 16.049 -10.611 20.450 1.00 0.46 O ATOM 1422 CB ARG A 93 15.486 -7.706 21.767 1.00 0.49 C ATOM 1423 CG ARG A 93 16.249 -6.545 22.426 1.00 0.55 C ATOM 1424 CD ARG A 93 15.616 -6.163 23.771 1.00 1.01 C ATOM 1425 NE ARG A 93 14.544 -5.150 23.560 1.00 1.59 N ATOM 1426 CZ ARG A 93 13.713 -4.876 24.530 1.00 2.23 C ATOM 1427 NH1 ARG A 93 13.817 -5.502 25.671 1.00 2.56 N ATOM 1428 NH2 ARG A 93 12.783 -3.976 24.363 1.00 3.17 N ATOM 0 H ARG A 93 15.696 -6.422 19.617 1.00 0.40 H new ATOM 0 HA ARG A 93 17.319 -8.434 20.923 1.00 0.45 H new ATOM 0 HB2 ARG A 93 14.506 -7.370 21.430 1.00 0.49 H new ATOM 0 HB3 ARG A 93 15.318 -8.505 22.489 1.00 0.49 H new ATOM 0 HG2 ARG A 93 17.290 -6.829 22.578 1.00 0.55 H new ATOM 0 HG3 ARG A 93 16.248 -5.681 21.761 1.00 0.55 H new ATOM 0 HD2 ARG A 93 15.201 -7.049 24.252 1.00 1.01 H new ATOM 0 HD3 ARG A 93 16.378 -5.764 24.441 1.00 1.01 H new ATOM 0 HE ARG A 93 14.459 -4.673 22.663 1.00 1.59 H new ATOM 0 HH11 ARG A 93 14.546 -6.203 25.803 1.00 2.56 H new ATOM 0 HH12 ARG A 93 13.169 -5.290 26.430 1.00 2.56 H new ATOM 0 HH21 ARG A 93 12.703 -3.484 23.473 1.00 3.17 H new ATOM 0 HH22 ARG A 93 12.136 -3.764 25.122 1.00 3.17 H new ATOM 1442 N ASN A 94 14.781 -9.419 19.108 1.00 0.43 N ATOM 1443 CA ASN A 94 14.142 -10.642 18.535 1.00 0.46 C ATOM 1444 C ASN A 94 15.176 -11.461 17.758 1.00 0.47 C ATOM 1445 O ASN A 94 14.989 -12.637 17.513 1.00 0.47 O ATOM 1446 CB ASN A 94 13.012 -10.233 17.589 1.00 0.52 C ATOM 1447 CG ASN A 94 11.854 -9.648 18.399 1.00 0.57 C ATOM 1448 OD1 ASN A 94 11.720 -9.922 19.575 1.00 1.33 O ATOM 1449 ND2 ASN A 94 11.005 -8.848 17.814 1.00 1.12 N ATOM 0 H ASN A 94 14.447 -8.536 18.722 1.00 0.43 H new ATOM 0 HA ASN A 94 13.742 -11.246 19.349 1.00 0.46 H new ATOM 0 HB2 ASN A 94 13.374 -9.498 16.870 1.00 0.52 H new ATOM 0 HB3 ASN A 94 12.671 -11.097 17.018 1.00 0.52 H new ATOM 0 HD21 ASN A 94 10.229 -8.452 18.344 1.00 1.12 H new ATOM 0 HD22 ASN A 94 11.118 -8.618 16.827 1.00 1.12 H new ATOM 1456 N MET A 95 16.261 -10.856 17.362 1.00 0.55 N ATOM 1457 CA MET A 95 17.292 -11.613 16.597 1.00 0.63 C ATOM 1458 C MET A 95 17.781 -12.773 17.462 1.00 0.62 C ATOM 1459 O MET A 95 18.093 -13.840 16.973 1.00 0.65 O ATOM 1460 CB MET A 95 18.466 -10.691 16.267 1.00 0.78 C ATOM 1461 CG MET A 95 17.932 -9.409 15.632 1.00 0.92 C ATOM 1462 SD MET A 95 17.048 -9.799 14.104 1.00 1.27 S ATOM 1463 CE MET A 95 18.402 -9.445 12.963 1.00 0.68 C ATOM 0 H MET A 95 16.478 -9.874 17.534 1.00 0.55 H new ATOM 0 HA MET A 95 16.866 -11.991 15.668 1.00 0.63 H new ATOM 0 HB2 MET A 95 19.026 -10.457 17.172 1.00 0.78 H new ATOM 0 HB3 MET A 95 19.155 -11.189 15.585 1.00 0.78 H new ATOM 0 HG2 MET A 95 17.266 -8.899 16.328 1.00 0.92 H new ATOM 0 HG3 MET A 95 18.756 -8.727 15.422 1.00 0.92 H new ATOM 0 HE1 MET A 95 18.019 -9.414 11.943 1.00 0.68 H new ATOM 0 HE2 MET A 95 18.846 -8.482 13.213 1.00 0.68 H new ATOM 0 HE3 MET A 95 19.159 -10.225 13.043 1.00 0.68 H new ATOM 1473 N LEU A 96 17.838 -12.570 18.749 1.00 0.62 N ATOM 1474 CA LEU A 96 18.290 -13.657 19.660 1.00 0.69 C ATOM 1475 C LEU A 96 17.244 -14.774 19.639 1.00 0.63 C ATOM 1476 O LEU A 96 17.546 -15.930 19.858 1.00 0.72 O ATOM 1477 CB LEU A 96 18.420 -13.104 21.084 1.00 0.74 C ATOM 1478 CG LEU A 96 19.434 -11.953 21.114 1.00 0.88 C ATOM 1479 CD1 LEU A 96 19.165 -11.078 22.339 1.00 1.14 C ATOM 1480 CD2 LEU A 96 20.860 -12.508 21.207 1.00 1.41 C ATOM 0 H LEU A 96 17.590 -11.695 19.210 1.00 0.62 H new ATOM 0 HA LEU A 96 19.256 -14.044 19.335 1.00 0.69 H new ATOM 0 HB2 LEU A 96 17.450 -12.753 21.436 1.00 0.74 H new ATOM 0 HB3 LEU A 96 18.738 -13.896 21.762 1.00 0.74 H new ATOM 0 HG LEU A 96 19.333 -11.367 20.200 1.00 0.88 H new ATOM 0 HD11 LEU A 96 19.883 -10.258 22.365 1.00 1.14 H new ATOM 0 HD12 LEU A 96 18.154 -10.674 22.282 1.00 1.14 H new ATOM 0 HD13 LEU A 96 19.266 -11.678 23.244 1.00 1.14 H new ATOM 0 HD21 LEU A 96 21.571 -11.682 21.228 1.00 1.41 H new ATOM 0 HD22 LEU A 96 20.962 -13.098 22.118 1.00 1.41 H new ATOM 0 HD23 LEU A 96 21.062 -13.139 20.342 1.00 1.41 H new ATOM 1492 N GLU A 97 16.013 -14.426 19.374 1.00 0.54 N ATOM 1493 CA GLU A 97 14.925 -15.445 19.329 1.00 0.52 C ATOM 1494 C GLU A 97 13.987 -15.114 18.160 1.00 0.43 C ATOM 1495 O GLU A 97 12.921 -14.565 18.357 1.00 0.44 O ATOM 1496 CB GLU A 97 14.134 -15.397 20.638 1.00 0.61 C ATOM 1497 CG GLU A 97 15.066 -15.714 21.810 1.00 1.37 C ATOM 1498 CD GLU A 97 14.246 -16.254 22.984 1.00 1.82 C ATOM 1499 OE1 GLU A 97 13.579 -17.259 22.801 1.00 2.29 O ATOM 1500 OE2 GLU A 97 14.300 -15.654 24.044 1.00 2.43 O ATOM 0 H GLU A 97 15.712 -13.470 19.185 1.00 0.54 H new ATOM 0 HA GLU A 97 15.351 -16.440 19.196 1.00 0.52 H new ATOM 0 HB2 GLU A 97 13.689 -14.411 20.770 1.00 0.61 H new ATOM 0 HB3 GLU A 97 13.315 -16.115 20.607 1.00 0.61 H new ATOM 0 HG2 GLU A 97 15.813 -16.448 21.506 1.00 1.37 H new ATOM 0 HG3 GLU A 97 15.606 -14.816 22.112 1.00 1.37 H new ATOM 1507 N PRO A 98 14.382 -15.427 16.946 1.00 0.40 N ATOM 1508 CA PRO A 98 13.539 -15.121 15.757 1.00 0.41 C ATOM 1509 C PRO A 98 12.183 -15.832 15.800 1.00 0.38 C ATOM 1510 O PRO A 98 12.106 -17.045 15.811 1.00 0.42 O ATOM 1511 CB PRO A 98 14.397 -15.630 14.595 1.00 0.49 C ATOM 1512 CG PRO A 98 15.758 -16.073 15.146 1.00 0.50 C ATOM 1513 CD PRO A 98 15.680 -16.102 16.674 1.00 0.47 C ATOM 0 HA PRO A 98 13.285 -14.063 15.686 1.00 0.41 H new ATOM 0 HB2 PRO A 98 13.902 -16.463 14.096 1.00 0.49 H new ATOM 0 HB3 PRO A 98 14.528 -14.845 13.850 1.00 0.49 H new ATOM 0 HG2 PRO A 98 16.019 -17.059 14.762 1.00 0.50 H new ATOM 0 HG3 PRO A 98 16.540 -15.387 14.820 1.00 0.50 H new ATOM 0 HD2 PRO A 98 15.696 -17.121 17.061 1.00 0.47 H new ATOM 0 HD3 PRO A 98 16.516 -15.573 17.133 1.00 0.47 H new ATOM 1521 N THR A 99 11.118 -15.073 15.829 1.00 0.37 N ATOM 1522 CA THR A 99 9.748 -15.668 15.878 1.00 0.38 C ATOM 1523 C THR A 99 8.914 -15.104 14.728 1.00 0.34 C ATOM 1524 O THR A 99 9.319 -14.181 14.051 1.00 0.30 O ATOM 1525 CB THR A 99 9.076 -15.304 17.205 1.00 0.45 C ATOM 1526 OG1 THR A 99 8.989 -13.891 17.316 1.00 0.49 O ATOM 1527 CG2 THR A 99 9.892 -15.861 18.374 1.00 0.58 C ATOM 0 H THR A 99 11.139 -14.053 15.821 1.00 0.37 H new ATOM 0 HA THR A 99 9.821 -16.752 15.790 1.00 0.38 H new ATOM 0 HB THR A 99 8.076 -15.736 17.232 1.00 0.45 H new ATOM 0 HG1 THR A 99 8.053 -13.630 17.439 1.00 0.49 H new ATOM 0 HG21 THR A 99 9.407 -15.598 19.314 1.00 0.58 H new ATOM 0 HG22 THR A 99 9.955 -16.946 18.290 1.00 0.58 H new ATOM 0 HG23 THR A 99 10.896 -15.437 18.352 1.00 0.58 H new ATOM 1535 N ILE A 100 7.751 -15.649 14.503 1.00 0.37 N ATOM 1536 CA ILE A 100 6.890 -15.143 13.398 1.00 0.38 C ATOM 1537 C ILE A 100 6.365 -13.754 13.767 1.00 0.38 C ATOM 1538 O ILE A 100 5.956 -12.988 12.917 1.00 0.41 O ATOM 1539 CB ILE A 100 5.713 -16.102 13.190 1.00 0.46 C ATOM 1540 CG1 ILE A 100 4.970 -15.744 11.895 1.00 0.53 C ATOM 1541 CG2 ILE A 100 4.749 -15.978 14.371 1.00 0.50 C ATOM 1542 CD1 ILE A 100 5.857 -16.026 10.675 1.00 0.59 C ATOM 0 H ILE A 100 7.359 -16.424 15.038 1.00 0.37 H new ATOM 0 HA ILE A 100 7.470 -15.080 12.477 1.00 0.38 H new ATOM 0 HB ILE A 100 6.089 -17.123 13.120 1.00 0.46 H new ATOM 0 HG12 ILE A 100 4.049 -16.323 11.825 1.00 0.53 H new ATOM 0 HG13 ILE A 100 4.685 -14.692 11.910 1.00 0.53 H new ATOM 0 HG21 ILE A 100 3.909 -16.658 14.228 1.00 0.50 H new ATOM 0 HG22 ILE A 100 5.270 -16.233 15.294 1.00 0.50 H new ATOM 0 HG23 ILE A 100 4.380 -14.954 14.433 1.00 0.50 H new ATOM 0 HD11 ILE A 100 5.316 -15.767 9.765 1.00 0.59 H new ATOM 0 HD12 ILE A 100 6.766 -15.428 10.740 1.00 0.59 H new ATOM 0 HD13 ILE A 100 6.120 -17.084 10.653 1.00 0.59 H new ATOM 1554 N THR A 101 6.377 -13.419 15.031 1.00 0.39 N ATOM 1555 CA THR A 101 5.881 -12.078 15.452 1.00 0.44 C ATOM 1556 C THR A 101 7.058 -11.104 15.546 1.00 0.41 C ATOM 1557 O THR A 101 6.926 -9.998 16.031 1.00 0.46 O ATOM 1558 CB THR A 101 5.200 -12.181 16.820 1.00 0.53 C ATOM 1559 OG1 THR A 101 6.134 -12.661 17.777 1.00 0.54 O ATOM 1560 CG2 THR A 101 4.011 -13.139 16.736 1.00 0.58 C ATOM 0 H THR A 101 6.709 -14.016 15.788 1.00 0.39 H new ATOM 0 HA THR A 101 5.162 -11.716 14.717 1.00 0.44 H new ATOM 0 HB THR A 101 4.844 -11.196 17.121 1.00 0.53 H new ATOM 0 HG1 THR A 101 5.700 -12.726 18.653 1.00 0.54 H new ATOM 0 HG21 THR A 101 3.530 -13.209 17.712 1.00 0.58 H new ATOM 0 HG22 THR A 101 3.294 -12.766 16.004 1.00 0.58 H new ATOM 0 HG23 THR A 101 4.360 -14.126 16.432 1.00 0.58 H new ATOM 1568 N CYS A 102 8.211 -11.513 15.095 1.00 0.34 N ATOM 1569 CA CYS A 102 9.406 -10.622 15.163 1.00 0.34 C ATOM 1570 C CYS A 102 9.179 -9.348 14.340 1.00 0.32 C ATOM 1571 O CYS A 102 9.273 -8.248 14.848 1.00 0.32 O ATOM 1572 CB CYS A 102 10.622 -11.368 14.611 1.00 0.34 C ATOM 1573 SG CYS A 102 12.004 -10.214 14.425 1.00 0.37 S ATOM 0 H CYS A 102 8.379 -12.430 14.680 1.00 0.34 H new ATOM 0 HA CYS A 102 9.576 -10.342 16.203 1.00 0.34 H new ATOM 0 HB2 CYS A 102 10.900 -12.180 15.283 1.00 0.34 H new ATOM 0 HB3 CYS A 102 10.379 -11.820 13.649 1.00 0.34 H new ATOM 0 HG CYS A 102 12.057 -9.795 13.195 1.00 0.37 H new ATOM 1579 N PHE A 103 8.906 -9.484 13.068 1.00 0.33 N ATOM 1580 CA PHE A 103 8.704 -8.276 12.210 1.00 0.34 C ATOM 1581 C PHE A 103 7.216 -7.935 12.081 1.00 0.35 C ATOM 1582 O PHE A 103 6.856 -6.949 11.469 1.00 0.35 O ATOM 1583 CB PHE A 103 9.272 -8.554 10.816 1.00 0.37 C ATOM 1584 CG PHE A 103 10.780 -8.599 10.881 1.00 0.38 C ATOM 1585 CD1 PHE A 103 11.430 -9.774 11.273 1.00 0.40 C ATOM 1586 CD2 PHE A 103 11.526 -7.466 10.540 1.00 0.47 C ATOM 1587 CE1 PHE A 103 12.829 -9.815 11.328 1.00 0.45 C ATOM 1588 CE2 PHE A 103 12.924 -7.506 10.594 1.00 0.52 C ATOM 1589 CZ PHE A 103 13.576 -8.680 10.989 1.00 0.48 C ATOM 0 H PHE A 103 8.814 -10.378 12.586 1.00 0.33 H new ATOM 0 HA PHE A 103 9.216 -7.432 12.673 1.00 0.34 H new ATOM 0 HB2 PHE A 103 8.886 -9.501 10.438 1.00 0.37 H new ATOM 0 HB3 PHE A 103 8.951 -7.778 10.121 1.00 0.37 H new ATOM 0 HD1 PHE A 103 10.853 -10.649 11.533 1.00 0.40 H new ATOM 0 HD2 PHE A 103 11.023 -6.560 10.235 1.00 0.47 H new ATOM 0 HE1 PHE A 103 13.331 -10.722 11.632 1.00 0.45 H new ATOM 0 HE2 PHE A 103 13.500 -6.631 10.331 1.00 0.52 H new ATOM 0 HZ PHE A 103 14.655 -8.710 11.032 1.00 0.48 H new ATOM 1599 N ASP A 104 6.344 -8.728 12.637 1.00 0.37 N ATOM 1600 CA ASP A 104 4.890 -8.415 12.516 1.00 0.41 C ATOM 1601 C ASP A 104 4.607 -7.058 13.162 1.00 0.39 C ATOM 1602 O ASP A 104 3.833 -6.268 12.659 1.00 0.41 O ATOM 1603 CB ASP A 104 4.063 -9.488 13.220 1.00 0.47 C ATOM 1604 CG ASP A 104 4.186 -10.807 12.454 1.00 0.52 C ATOM 1605 OD1 ASP A 104 4.780 -10.796 11.388 1.00 1.11 O ATOM 1606 OD2 ASP A 104 3.673 -11.803 12.938 1.00 1.20 O ATOM 0 H ASP A 104 6.570 -9.571 13.165 1.00 0.37 H new ATOM 0 HA ASP A 104 4.619 -8.387 11.461 1.00 0.41 H new ATOM 0 HB2 ASP A 104 4.410 -9.616 14.245 1.00 0.47 H new ATOM 0 HB3 ASP A 104 3.018 -9.181 13.273 1.00 0.47 H new ATOM 1611 N GLU A 105 5.229 -6.784 14.275 1.00 0.38 N ATOM 1612 CA GLU A 105 4.997 -5.483 14.959 1.00 0.39 C ATOM 1613 C GLU A 105 5.470 -4.343 14.056 1.00 0.36 C ATOM 1614 O GLU A 105 4.862 -3.292 13.997 1.00 0.38 O ATOM 1615 CB GLU A 105 5.771 -5.448 16.279 1.00 0.43 C ATOM 1616 CG GLU A 105 5.398 -4.183 17.056 1.00 1.06 C ATOM 1617 CD GLU A 105 6.044 -4.225 18.441 1.00 1.50 C ATOM 1618 OE1 GLU A 105 6.621 -5.248 18.771 1.00 2.05 O ATOM 1619 OE2 GLU A 105 5.950 -3.235 19.148 1.00 2.16 O ATOM 0 H GLU A 105 5.889 -7.407 14.741 1.00 0.38 H new ATOM 0 HA GLU A 105 3.933 -5.367 15.165 1.00 0.39 H new ATOM 0 HB2 GLU A 105 5.540 -6.333 16.872 1.00 0.43 H new ATOM 0 HB3 GLU A 105 6.843 -5.465 16.085 1.00 0.43 H new ATOM 0 HG2 GLU A 105 5.733 -3.299 16.514 1.00 1.06 H new ATOM 0 HG3 GLU A 105 4.315 -4.108 17.151 1.00 1.06 H new ATOM 1626 N ALA A 106 6.557 -4.535 13.359 1.00 0.35 N ATOM 1627 CA ALA A 106 7.070 -3.453 12.472 1.00 0.36 C ATOM 1628 C ALA A 106 6.110 -3.247 11.296 1.00 0.36 C ATOM 1629 O ALA A 106 5.792 -2.130 10.939 1.00 0.36 O ATOM 1630 CB ALA A 106 8.450 -3.844 11.939 1.00 0.39 C ATOM 0 H ALA A 106 7.110 -5.392 13.365 1.00 0.35 H new ATOM 0 HA ALA A 106 7.145 -2.527 13.041 1.00 0.36 H new ATOM 0 HB1 ALA A 106 8.827 -3.054 11.290 1.00 0.39 H new ATOM 0 HB2 ALA A 106 9.136 -3.985 12.774 1.00 0.39 H new ATOM 0 HB3 ALA A 106 8.372 -4.772 11.373 1.00 0.39 H new ATOM 1636 N GLN A 107 5.632 -4.304 10.698 1.00 0.41 N ATOM 1637 CA GLN A 107 4.683 -4.135 9.560 1.00 0.45 C ATOM 1638 C GLN A 107 3.455 -3.378 10.063 1.00 0.43 C ATOM 1639 O GLN A 107 2.921 -2.520 9.389 1.00 0.44 O ATOM 1640 CB GLN A 107 4.263 -5.498 9.004 1.00 0.54 C ATOM 1641 CG GLN A 107 3.339 -5.289 7.798 1.00 0.70 C ATOM 1642 CD GLN A 107 2.913 -6.643 7.233 1.00 0.81 C ATOM 1643 OE1 GLN A 107 2.352 -7.455 7.936 1.00 1.35 O ATOM 1644 NE2 GLN A 107 3.158 -6.922 5.982 1.00 1.26 N ATOM 0 H GLN A 107 5.854 -5.268 10.945 1.00 0.41 H new ATOM 0 HA GLN A 107 5.168 -3.577 8.759 1.00 0.45 H new ATOM 0 HB2 GLN A 107 5.143 -6.070 8.708 1.00 0.54 H new ATOM 0 HB3 GLN A 107 3.751 -6.076 9.774 1.00 0.54 H new ATOM 0 HG2 GLN A 107 2.461 -4.716 8.096 1.00 0.70 H new ATOM 0 HG3 GLN A 107 3.852 -4.710 7.031 1.00 0.70 H new ATOM 0 HE21 GLN A 107 3.630 -6.239 5.390 1.00 1.26 H new ATOM 0 HE22 GLN A 107 2.877 -7.823 5.596 1.00 1.26 H new ATOM 1653 N LYS A 108 3.008 -3.688 11.249 1.00 0.44 N ATOM 1654 CA LYS A 108 1.819 -2.986 11.805 1.00 0.47 C ATOM 1655 C LYS A 108 2.117 -1.489 11.852 1.00 0.43 C ATOM 1656 O LYS A 108 1.274 -0.668 11.548 1.00 0.47 O ATOM 1657 CB LYS A 108 1.551 -3.505 13.223 1.00 0.51 C ATOM 1658 CG LYS A 108 0.331 -2.798 13.823 1.00 0.58 C ATOM 1659 CD LYS A 108 0.080 -3.329 15.236 1.00 0.66 C ATOM 1660 CE LYS A 108 -0.969 -2.459 15.931 1.00 1.17 C ATOM 1661 NZ LYS A 108 -1.889 -3.324 16.724 1.00 2.14 N ATOM 0 H LYS A 108 3.416 -4.398 11.857 1.00 0.44 H new ATOM 0 HA LYS A 108 0.943 -3.168 11.183 1.00 0.47 H new ATOM 0 HB2 LYS A 108 1.381 -4.581 13.198 1.00 0.51 H new ATOM 0 HB3 LYS A 108 2.425 -3.335 13.852 1.00 0.51 H new ATOM 0 HG2 LYS A 108 0.498 -1.721 13.852 1.00 0.58 H new ATOM 0 HG3 LYS A 108 -0.546 -2.968 13.198 1.00 0.58 H new ATOM 0 HD2 LYS A 108 -0.262 -4.363 15.192 1.00 0.66 H new ATOM 0 HD3 LYS A 108 1.008 -3.324 15.808 1.00 0.66 H new ATOM 0 HE2 LYS A 108 -0.481 -1.735 16.584 1.00 1.17 H new ATOM 0 HE3 LYS A 108 -1.534 -1.892 15.191 1.00 1.17 H new ATOM 0 HZ1 LYS A 108 -2.602 -2.732 17.196 1.00 2.14 H new ATOM 0 HZ2 LYS A 108 -2.364 -3.998 16.090 1.00 2.14 H new ATOM 0 HZ3 LYS A 108 -1.344 -3.846 17.439 1.00 2.14 H new ATOM 1675 N LYS A 109 3.314 -1.128 12.216 1.00 0.37 N ATOM 1676 CA LYS A 109 3.668 0.315 12.266 1.00 0.38 C ATOM 1677 C LYS A 109 3.631 0.880 10.845 1.00 0.37 C ATOM 1678 O LYS A 109 3.171 1.983 10.622 1.00 0.39 O ATOM 1679 CB LYS A 109 5.068 0.483 12.867 1.00 0.38 C ATOM 1680 CG LYS A 109 5.076 0.000 14.326 1.00 0.71 C ATOM 1681 CD LYS A 109 4.496 1.075 15.256 1.00 0.60 C ATOM 1682 CE LYS A 109 4.549 0.574 16.701 1.00 1.05 C ATOM 1683 NZ LYS A 109 5.480 1.426 17.493 1.00 1.71 N ATOM 0 H LYS A 109 4.062 -1.769 12.481 1.00 0.37 H new ATOM 0 HA LYS A 109 2.955 0.853 12.891 1.00 0.38 H new ATOM 0 HB2 LYS A 109 5.793 -0.084 12.284 1.00 0.38 H new ATOM 0 HB3 LYS A 109 5.370 1.529 12.820 1.00 0.38 H new ATOM 0 HG2 LYS A 109 4.493 -0.917 14.414 1.00 0.71 H new ATOM 0 HG3 LYS A 109 6.095 -0.239 14.630 1.00 0.71 H new ATOM 0 HD2 LYS A 109 5.063 2.001 15.159 1.00 0.60 H new ATOM 0 HD3 LYS A 109 3.467 1.300 14.974 1.00 0.60 H new ATOM 0 HE2 LYS A 109 3.553 0.600 17.142 1.00 1.05 H new ATOM 0 HE3 LYS A 109 4.881 -0.464 16.724 1.00 1.05 H new ATOM 0 HZ1 LYS A 109 5.238 1.359 18.502 1.00 1.71 H new ATOM 0 HZ2 LYS A 109 6.457 1.100 17.349 1.00 1.71 H new ATOM 0 HZ3 LYS A 109 5.396 2.415 17.182 1.00 1.71 H new ATOM 1697 N ILE A 110 4.099 0.135 9.876 1.00 0.35 N ATOM 1698 CA ILE A 110 4.064 0.646 8.478 1.00 0.36 C ATOM 1699 C ILE A 110 2.600 0.762 8.050 1.00 0.36 C ATOM 1700 O ILE A 110 2.194 1.741 7.457 1.00 0.37 O ATOM 1701 CB ILE A 110 4.791 -0.332 7.549 1.00 0.38 C ATOM 1702 CG1 ILE A 110 6.258 -0.485 7.991 1.00 0.40 C ATOM 1703 CG2 ILE A 110 4.725 0.180 6.106 1.00 0.41 C ATOM 1704 CD1 ILE A 110 6.982 0.871 7.997 1.00 0.43 C ATOM 0 H ILE A 110 4.500 -0.796 9.993 1.00 0.35 H new ATOM 0 HA ILE A 110 4.556 1.617 8.421 1.00 0.36 H new ATOM 0 HB ILE A 110 4.305 -1.306 7.603 1.00 0.38 H new ATOM 0 HG12 ILE A 110 6.296 -0.925 8.988 1.00 0.40 H new ATOM 0 HG13 ILE A 110 6.773 -1.172 7.319 1.00 0.40 H new ATOM 0 HG21 ILE A 110 5.243 -0.518 5.448 1.00 0.41 H new ATOM 0 HG22 ILE A 110 3.683 0.264 5.797 1.00 0.41 H new ATOM 0 HG23 ILE A 110 5.202 1.158 6.045 1.00 0.41 H new ATOM 0 HD11 ILE A 110 8.016 0.730 8.313 1.00 0.43 H new ATOM 0 HD12 ILE A 110 6.964 1.297 6.994 1.00 0.43 H new ATOM 0 HD13 ILE A 110 6.480 1.548 8.688 1.00 0.43 H new ATOM 1716 N PHE A 111 1.798 -0.223 8.367 1.00 0.37 N ATOM 1717 CA PHE A 111 0.353 -0.160 8.002 1.00 0.39 C ATOM 1718 C PHE A 111 -0.286 1.060 8.672 1.00 0.39 C ATOM 1719 O PHE A 111 -0.997 1.821 8.049 1.00 0.40 O ATOM 1720 CB PHE A 111 -0.357 -1.434 8.478 1.00 0.41 C ATOM 1721 CG PHE A 111 -0.556 -2.375 7.310 1.00 0.44 C ATOM 1722 CD1 PHE A 111 0.521 -2.699 6.477 1.00 0.47 C ATOM 1723 CD2 PHE A 111 -1.823 -2.918 7.056 1.00 0.46 C ATOM 1724 CE1 PHE A 111 0.330 -3.563 5.390 1.00 0.52 C ATOM 1725 CE2 PHE A 111 -2.011 -3.781 5.969 1.00 0.50 C ATOM 1726 CZ PHE A 111 -0.940 -4.102 5.139 1.00 0.52 C ATOM 0 H PHE A 111 2.083 -1.068 8.863 1.00 0.37 H new ATOM 0 HA PHE A 111 0.256 -0.077 6.919 1.00 0.39 H new ATOM 0 HB2 PHE A 111 0.233 -1.922 9.254 1.00 0.41 H new ATOM 0 HB3 PHE A 111 -1.320 -1.181 8.921 1.00 0.41 H new ATOM 0 HD1 PHE A 111 1.499 -2.284 6.672 1.00 0.47 H new ATOM 0 HD2 PHE A 111 -2.655 -2.671 7.699 1.00 0.46 H new ATOM 0 HE1 PHE A 111 1.160 -3.813 4.746 1.00 0.52 H new ATOM 0 HE2 PHE A 111 -2.988 -4.198 5.774 1.00 0.50 H new ATOM 0 HZ PHE A 111 -1.088 -4.767 4.301 1.00 0.52 H new ATOM 1736 N ASN A 112 -0.047 1.252 9.940 1.00 0.40 N ATOM 1737 CA ASN A 112 -0.645 2.425 10.638 1.00 0.43 C ATOM 1738 C ASN A 112 -0.044 3.729 10.100 1.00 0.42 C ATOM 1739 O ASN A 112 -0.734 4.712 9.922 1.00 0.43 O ATOM 1740 CB ASN A 112 -0.369 2.322 12.139 1.00 0.49 C ATOM 1741 CG ASN A 112 -1.363 1.350 12.777 1.00 0.54 C ATOM 1742 OD1 ASN A 112 -2.285 1.763 13.452 1.00 1.23 O ATOM 1743 ND2 ASN A 112 -1.218 0.067 12.587 1.00 1.22 N ATOM 0 H ASN A 112 0.535 0.649 10.522 1.00 0.40 H new ATOM 0 HA ASN A 112 -1.720 2.429 10.459 1.00 0.43 H new ATOM 0 HB2 ASN A 112 0.651 1.978 12.309 1.00 0.49 H new ATOM 0 HB3 ASN A 112 -0.456 3.304 12.603 1.00 0.49 H new ATOM 0 HD21 ASN A 112 -1.878 -0.588 13.005 1.00 1.22 H new ATOM 0 HD22 ASN A 112 -0.444 -0.280 12.020 1.00 1.22 H new ATOM 1750 N LEU A 113 1.241 3.755 9.861 1.00 0.42 N ATOM 1751 CA LEU A 113 1.877 5.011 9.361 1.00 0.45 C ATOM 1752 C LEU A 113 1.302 5.379 7.993 1.00 0.42 C ATOM 1753 O LEU A 113 0.782 6.460 7.801 1.00 0.44 O ATOM 1754 CB LEU A 113 3.396 4.800 9.246 1.00 0.51 C ATOM 1755 CG LEU A 113 4.107 6.097 8.812 1.00 0.66 C ATOM 1756 CD1 LEU A 113 4.272 7.037 10.015 1.00 1.30 C ATOM 1757 CD2 LEU A 113 5.487 5.740 8.249 1.00 1.24 C ATOM 0 H LEU A 113 1.875 2.966 9.989 1.00 0.42 H new ATOM 0 HA LEU A 113 1.672 5.822 10.060 1.00 0.45 H new ATOM 0 HB2 LEU A 113 3.793 4.468 10.205 1.00 0.51 H new ATOM 0 HB3 LEU A 113 3.603 4.010 8.524 1.00 0.51 H new ATOM 0 HG LEU A 113 3.511 6.601 8.051 1.00 0.66 H new ATOM 0 HD11 LEU A 113 4.775 7.950 9.697 1.00 1.30 H new ATOM 0 HD12 LEU A 113 3.291 7.286 10.420 1.00 1.30 H new ATOM 0 HD13 LEU A 113 4.867 6.543 10.783 1.00 1.30 H new ATOM 0 HD21 LEU A 113 6.000 6.650 7.938 1.00 1.24 H new ATOM 0 HD22 LEU A 113 6.074 5.237 9.017 1.00 1.24 H new ATOM 0 HD23 LEU A 113 5.370 5.079 7.391 1.00 1.24 H new ATOM 1769 N MET A 114 1.390 4.497 7.038 1.00 0.42 N ATOM 1770 CA MET A 114 0.847 4.820 5.692 1.00 0.44 C ATOM 1771 C MET A 114 -0.664 5.028 5.798 1.00 0.41 C ATOM 1772 O MET A 114 -1.228 5.884 5.149 1.00 0.46 O ATOM 1773 CB MET A 114 1.161 3.676 4.722 1.00 0.48 C ATOM 1774 CG MET A 114 0.468 2.400 5.192 1.00 0.41 C ATOM 1775 SD MET A 114 1.500 0.965 4.795 1.00 0.90 S ATOM 1776 CE MET A 114 1.183 0.924 3.014 1.00 0.53 C ATOM 0 H MET A 114 1.812 3.573 7.131 1.00 0.42 H new ATOM 0 HA MET A 114 1.308 5.733 5.315 1.00 0.44 H new ATOM 0 HB2 MET A 114 0.825 3.935 3.718 1.00 0.48 H new ATOM 0 HB3 MET A 114 2.238 3.518 4.667 1.00 0.48 H new ATOM 0 HG2 MET A 114 0.289 2.446 6.266 1.00 0.41 H new ATOM 0 HG3 MET A 114 -0.505 2.305 4.711 1.00 0.41 H new ATOM 0 HE1 MET A 114 0.667 -0.001 2.758 1.00 0.53 H new ATOM 0 HE2 MET A 114 0.562 1.775 2.735 1.00 0.53 H new ATOM 0 HE3 MET A 114 2.129 0.973 2.475 1.00 0.53 H new ATOM 1786 N GLU A 115 -1.325 4.254 6.615 1.00 0.38 N ATOM 1787 CA GLU A 115 -2.799 4.417 6.757 1.00 0.43 C ATOM 1788 C GLU A 115 -3.123 5.777 7.390 1.00 0.49 C ATOM 1789 O GLU A 115 -4.069 6.436 7.016 1.00 0.60 O ATOM 1790 CB GLU A 115 -3.367 3.300 7.635 1.00 0.47 C ATOM 1791 CG GLU A 115 -4.889 3.443 7.711 1.00 0.84 C ATOM 1792 CD GLU A 115 -5.483 2.229 8.426 1.00 0.86 C ATOM 1793 OE1 GLU A 115 -4.716 1.370 8.829 1.00 1.35 O ATOM 1794 OE2 GLU A 115 -6.695 2.174 8.551 1.00 1.34 O ATOM 0 H GLU A 115 -0.910 3.519 7.188 1.00 0.38 H new ATOM 0 HA GLU A 115 -3.251 4.365 5.767 1.00 0.43 H new ATOM 0 HB2 GLU A 115 -3.102 2.327 7.223 1.00 0.47 H new ATOM 0 HB3 GLU A 115 -2.935 3.351 8.634 1.00 0.47 H new ATOM 0 HG2 GLU A 115 -5.152 4.357 8.244 1.00 0.84 H new ATOM 0 HG3 GLU A 115 -5.307 3.527 6.708 1.00 0.84 H new ATOM 1801 N LYS A 116 -2.365 6.202 8.359 1.00 0.48 N ATOM 1802 CA LYS A 116 -2.668 7.513 9.001 1.00 0.58 C ATOM 1803 C LYS A 116 -2.141 8.665 8.139 1.00 0.59 C ATOM 1804 O LYS A 116 -2.447 9.815 8.391 1.00 0.74 O ATOM 1805 CB LYS A 116 -2.021 7.571 10.386 1.00 0.65 C ATOM 1806 CG LYS A 116 -2.739 6.596 11.321 1.00 0.72 C ATOM 1807 CD LYS A 116 -2.096 6.649 12.711 1.00 1.27 C ATOM 1808 CE LYS A 116 -2.775 5.637 13.643 1.00 1.56 C ATOM 1809 NZ LYS A 116 -4.202 5.459 13.252 1.00 2.20 N ATOM 0 H LYS A 116 -1.556 5.706 8.733 1.00 0.48 H new ATOM 0 HA LYS A 116 -3.749 7.613 9.099 1.00 0.58 H new ATOM 0 HB2 LYS A 116 -0.964 7.315 10.317 1.00 0.65 H new ATOM 0 HB3 LYS A 116 -2.078 8.584 10.785 1.00 0.65 H new ATOM 0 HG2 LYS A 116 -3.796 6.853 11.388 1.00 0.72 H new ATOM 0 HG3 LYS A 116 -2.682 5.584 10.921 1.00 0.72 H new ATOM 0 HD2 LYS A 116 -1.031 6.429 12.637 1.00 1.27 H new ATOM 0 HD3 LYS A 116 -2.186 7.654 13.124 1.00 1.27 H new ATOM 0 HE2 LYS A 116 -2.255 4.680 13.595 1.00 1.56 H new ATOM 0 HE3 LYS A 116 -2.713 5.982 14.675 1.00 1.56 H new ATOM 0 HZ1 LYS A 116 -4.704 4.937 13.999 1.00 2.20 H new ATOM 0 HZ2 LYS A 116 -4.645 6.391 13.123 1.00 2.20 H new ATOM 0 HZ3 LYS A 116 -4.254 4.924 12.362 1.00 2.20 H new ATOM 1823 N ASP A 117 -1.347 8.373 7.135 1.00 0.56 N ATOM 1824 CA ASP A 117 -0.794 9.464 6.268 1.00 0.63 C ATOM 1825 C ASP A 117 -1.125 9.214 4.795 1.00 0.55 C ATOM 1826 O ASP A 117 -1.718 10.045 4.136 1.00 0.67 O ATOM 1827 CB ASP A 117 0.727 9.518 6.428 1.00 0.74 C ATOM 1828 CG ASP A 117 1.103 10.629 7.410 1.00 1.44 C ATOM 1829 OD1 ASP A 117 0.304 10.917 8.286 1.00 2.15 O ATOM 1830 OD2 ASP A 117 2.187 11.172 7.271 1.00 2.14 O ATOM 0 H ASP A 117 -1.058 7.429 6.879 1.00 0.56 H new ATOM 0 HA ASP A 117 -1.245 10.407 6.576 1.00 0.63 H new ATOM 0 HB2 ASP A 117 1.099 8.559 6.789 1.00 0.74 H new ATOM 0 HB3 ASP A 117 1.198 9.699 5.462 1.00 0.74 H new ATOM 1835 N SER A 118 -0.719 8.096 4.258 1.00 0.45 N ATOM 1836 CA SER A 118 -0.987 7.832 2.816 1.00 0.42 C ATOM 1837 C SER A 118 -2.489 7.836 2.540 1.00 0.39 C ATOM 1838 O SER A 118 -2.950 8.491 1.634 1.00 0.41 O ATOM 1839 CB SER A 118 -0.410 6.472 2.424 1.00 0.46 C ATOM 1840 OG SER A 118 -1.303 5.445 2.834 1.00 0.47 O ATOM 0 H SER A 118 -0.216 7.358 4.752 1.00 0.45 H new ATOM 0 HA SER A 118 -0.515 8.619 2.228 1.00 0.42 H new ATOM 0 HB2 SER A 118 -0.257 6.427 1.346 1.00 0.46 H new ATOM 0 HB3 SER A 118 0.565 6.330 2.891 1.00 0.46 H new ATOM 0 HG SER A 118 -1.478 5.528 3.795 1.00 0.47 H new ATOM 1846 N TYR A 119 -3.257 7.113 3.309 1.00 0.40 N ATOM 1847 CA TYR A 119 -4.730 7.075 3.069 1.00 0.41 C ATOM 1848 C TYR A 119 -5.316 8.478 3.150 1.00 0.41 C ATOM 1849 O TYR A 119 -6.093 8.885 2.309 1.00 0.43 O ATOM 1850 CB TYR A 119 -5.388 6.195 4.123 1.00 0.46 C ATOM 1851 CG TYR A 119 -5.892 4.929 3.487 1.00 0.43 C ATOM 1852 CD1 TYR A 119 -5.050 4.165 2.669 1.00 0.61 C ATOM 1853 CD2 TYR A 119 -7.207 4.521 3.711 1.00 0.46 C ATOM 1854 CE1 TYR A 119 -5.529 2.994 2.075 1.00 0.63 C ATOM 1855 CE2 TYR A 119 -7.683 3.349 3.118 1.00 0.45 C ATOM 1856 CZ TYR A 119 -6.845 2.586 2.300 1.00 0.45 C ATOM 1857 OH TYR A 119 -7.318 1.434 1.711 1.00 0.50 O ATOM 0 H TYR A 119 -2.930 6.547 4.092 1.00 0.40 H new ATOM 0 HA TYR A 119 -4.916 6.670 2.074 1.00 0.41 H new ATOM 0 HB2 TYR A 119 -4.672 5.957 4.910 1.00 0.46 H new ATOM 0 HB3 TYR A 119 -6.213 6.730 4.593 1.00 0.46 H new ATOM 0 HD1 TYR A 119 -4.031 4.480 2.497 1.00 0.61 H new ATOM 0 HD2 TYR A 119 -7.856 5.110 4.342 1.00 0.46 H new ATOM 0 HE1 TYR A 119 -4.881 2.405 1.442 1.00 0.63 H new ATOM 0 HE2 TYR A 119 -8.701 3.032 3.292 1.00 0.45 H new ATOM 0 HH TYR A 119 -8.291 1.494 1.609 1.00 0.50 H new ATOM 1867 N ARG A 120 -4.951 9.228 4.143 1.00 0.43 N ATOM 1868 CA ARG A 120 -5.494 10.606 4.252 1.00 0.47 C ATOM 1869 C ARG A 120 -5.079 11.366 2.992 1.00 0.46 C ATOM 1870 O ARG A 120 -5.863 12.066 2.375 1.00 0.49 O ATOM 1871 CB ARG A 120 -4.874 11.295 5.474 1.00 0.52 C ATOM 1872 CG ARG A 120 -5.218 10.524 6.754 1.00 0.60 C ATOM 1873 CD ARG A 120 -6.614 10.911 7.250 1.00 1.18 C ATOM 1874 NE ARG A 120 -6.886 10.223 8.543 1.00 1.72 N ATOM 1875 CZ ARG A 120 -7.838 10.654 9.325 1.00 2.45 C ATOM 1876 NH1 ARG A 120 -8.532 11.708 8.991 1.00 2.92 N ATOM 1877 NH2 ARG A 120 -8.089 10.036 10.447 1.00 3.29 N ATOM 0 H ARG A 120 -4.304 8.951 4.881 1.00 0.43 H new ATOM 0 HA ARG A 120 -6.579 10.587 4.357 1.00 0.47 H new ATOM 0 HB2 ARG A 120 -3.792 11.353 5.357 1.00 0.52 H new ATOM 0 HB3 ARG A 120 -5.242 12.318 5.548 1.00 0.52 H new ATOM 0 HG2 ARG A 120 -5.177 9.452 6.563 1.00 0.60 H new ATOM 0 HG3 ARG A 120 -4.478 10.738 7.525 1.00 0.60 H new ATOM 0 HD2 ARG A 120 -6.680 11.991 7.379 1.00 1.18 H new ATOM 0 HD3 ARG A 120 -7.365 10.632 6.511 1.00 1.18 H new ATOM 0 HE ARG A 120 -6.328 9.415 8.817 1.00 1.72 H new ATOM 0 HH11 ARG A 120 -8.331 12.196 8.118 1.00 2.92 H new ATOM 0 HH12 ARG A 120 -9.276 12.044 9.603 1.00 2.92 H new ATOM 0 HH21 ARG A 120 -7.541 9.217 10.712 1.00 3.29 H new ATOM 0 HH22 ARG A 120 -8.833 10.372 11.059 1.00 3.29 H new ATOM 1891 N ARG A 121 -3.844 11.218 2.603 1.00 0.44 N ATOM 1892 CA ARG A 121 -3.347 11.910 1.386 1.00 0.45 C ATOM 1893 C ARG A 121 -3.959 11.273 0.131 1.00 0.42 C ATOM 1894 O ARG A 121 -4.306 11.957 -0.806 1.00 0.44 O ATOM 1895 CB ARG A 121 -1.825 11.783 1.313 1.00 0.47 C ATOM 1896 CG ARG A 121 -1.185 12.341 2.594 1.00 0.56 C ATOM 1897 CD ARG A 121 -0.518 13.695 2.321 1.00 1.18 C ATOM 1898 NE ARG A 121 0.284 14.091 3.513 1.00 1.81 N ATOM 1899 CZ ARG A 121 1.164 15.050 3.420 1.00 2.47 C ATOM 1900 NH1 ARG A 121 1.321 15.686 2.292 1.00 2.78 N ATOM 1901 NH2 ARG A 121 1.886 15.375 4.458 1.00 3.36 N ATOM 0 H ARG A 121 -3.152 10.641 3.082 1.00 0.44 H new ATOM 0 HA ARG A 121 -3.633 12.961 1.436 1.00 0.45 H new ATOM 0 HB2 ARG A 121 -1.546 10.737 1.184 1.00 0.47 H new ATOM 0 HB3 ARG A 121 -1.449 12.323 0.444 1.00 0.47 H new ATOM 0 HG2 ARG A 121 -1.945 12.454 3.367 1.00 0.56 H new ATOM 0 HG3 ARG A 121 -0.446 11.636 2.974 1.00 0.56 H new ATOM 0 HD2 ARG A 121 0.123 13.628 1.442 1.00 1.18 H new ATOM 0 HD3 ARG A 121 -1.274 14.451 2.108 1.00 1.18 H new ATOM 0 HE ARG A 121 0.145 13.612 4.403 1.00 1.81 H new ATOM 0 HH11 ARG A 121 0.756 15.434 1.481 1.00 2.78 H new ATOM 0 HH12 ARG A 121 2.009 16.435 2.221 1.00 2.78 H new ATOM 0 HH21 ARG A 121 1.762 14.879 5.341 1.00 3.36 H new ATOM 0 HH22 ARG A 121 2.574 16.124 4.386 1.00 3.36 H new ATOM 1915 N PHE A 122 -4.079 9.967 0.099 1.00 0.39 N ATOM 1916 CA PHE A 122 -4.647 9.296 -1.114 1.00 0.40 C ATOM 1917 C PHE A 122 -6.043 9.836 -1.397 1.00 0.41 C ATOM 1918 O PHE A 122 -6.356 10.202 -2.507 1.00 0.47 O ATOM 1919 CB PHE A 122 -4.746 7.783 -0.886 1.00 0.40 C ATOM 1920 CG PHE A 122 -4.092 7.041 -2.028 1.00 0.38 C ATOM 1921 CD1 PHE A 122 -2.709 6.825 -2.025 1.00 0.49 C ATOM 1922 CD2 PHE A 122 -4.874 6.559 -3.085 1.00 0.69 C ATOM 1923 CE1 PHE A 122 -2.108 6.126 -3.079 1.00 0.68 C ATOM 1924 CE2 PHE A 122 -4.272 5.863 -4.140 1.00 0.85 C ATOM 1925 CZ PHE A 122 -2.889 5.646 -4.137 1.00 0.78 C ATOM 0 H PHE A 122 -3.810 9.339 0.856 1.00 0.39 H new ATOM 0 HA PHE A 122 -3.989 9.498 -1.959 1.00 0.40 H new ATOM 0 HB2 PHE A 122 -4.263 7.517 0.054 1.00 0.40 H new ATOM 0 HB3 PHE A 122 -5.792 7.488 -0.802 1.00 0.40 H new ATOM 0 HD1 PHE A 122 -2.106 7.197 -1.210 1.00 0.49 H new ATOM 0 HD2 PHE A 122 -5.941 6.724 -3.086 1.00 0.69 H new ATOM 0 HE1 PHE A 122 -1.041 5.957 -3.076 1.00 0.68 H new ATOM 0 HE2 PHE A 122 -4.875 5.493 -4.956 1.00 0.85 H new ATOM 0 HZ PHE A 122 -2.425 5.108 -4.951 1.00 0.78 H new ATOM 1935 N LEU A 123 -6.886 9.892 -0.410 1.00 0.39 N ATOM 1936 CA LEU A 123 -8.258 10.411 -0.648 1.00 0.43 C ATOM 1937 C LEU A 123 -8.158 11.851 -1.156 1.00 0.45 C ATOM 1938 O LEU A 123 -8.878 12.256 -2.046 1.00 0.54 O ATOM 1939 CB LEU A 123 -9.052 10.359 0.659 1.00 0.45 C ATOM 1940 CG LEU A 123 -9.200 8.897 1.104 1.00 0.45 C ATOM 1941 CD1 LEU A 123 -9.809 8.845 2.505 1.00 0.50 C ATOM 1942 CD2 LEU A 123 -10.106 8.131 0.130 1.00 0.49 C ATOM 0 H LEU A 123 -6.687 9.603 0.548 1.00 0.39 H new ATOM 0 HA LEU A 123 -8.771 9.802 -1.393 1.00 0.43 H new ATOM 0 HB2 LEU A 123 -8.543 10.936 1.431 1.00 0.45 H new ATOM 0 HB3 LEU A 123 -10.034 10.810 0.519 1.00 0.45 H new ATOM 0 HG LEU A 123 -8.213 8.434 1.113 1.00 0.45 H new ATOM 0 HD11 LEU A 123 -9.913 7.806 2.818 1.00 0.50 H new ATOM 0 HD12 LEU A 123 -9.159 9.372 3.204 1.00 0.50 H new ATOM 0 HD13 LEU A 123 -10.790 9.320 2.493 1.00 0.50 H new ATOM 0 HD21 LEU A 123 -10.201 7.096 0.459 1.00 0.49 H new ATOM 0 HD22 LEU A 123 -11.091 8.597 0.107 1.00 0.49 H new ATOM 0 HD23 LEU A 123 -9.670 8.156 -0.869 1.00 0.49 H new ATOM 1954 N LYS A 124 -7.262 12.625 -0.605 1.00 0.43 N ATOM 1955 CA LYS A 124 -7.109 14.035 -1.069 1.00 0.48 C ATOM 1956 C LYS A 124 -6.069 14.124 -2.195 1.00 0.47 C ATOM 1957 O LYS A 124 -5.784 15.194 -2.695 1.00 0.52 O ATOM 1958 CB LYS A 124 -6.675 14.918 0.102 1.00 0.55 C ATOM 1959 CG LYS A 124 -7.836 15.068 1.086 1.00 0.64 C ATOM 1960 CD LYS A 124 -7.401 15.953 2.257 1.00 1.08 C ATOM 1961 CE LYS A 124 -8.564 16.120 3.238 1.00 1.26 C ATOM 1962 NZ LYS A 124 -8.393 15.184 4.384 1.00 1.82 N ATOM 0 H LYS A 124 -6.630 12.343 0.145 1.00 0.43 H new ATOM 0 HA LYS A 124 -8.069 14.381 -1.453 1.00 0.48 H new ATOM 0 HB2 LYS A 124 -5.814 14.477 0.604 1.00 0.55 H new ATOM 0 HB3 LYS A 124 -6.365 15.897 -0.263 1.00 0.55 H new ATOM 0 HG2 LYS A 124 -8.698 15.508 0.584 1.00 0.64 H new ATOM 0 HG3 LYS A 124 -8.146 14.089 1.452 1.00 0.64 H new ATOM 0 HD2 LYS A 124 -6.546 15.507 2.765 1.00 1.08 H new ATOM 0 HD3 LYS A 124 -7.080 16.928 1.889 1.00 1.08 H new ATOM 0 HE2 LYS A 124 -8.604 17.148 3.598 1.00 1.26 H new ATOM 0 HE3 LYS A 124 -9.510 15.923 2.733 1.00 1.26 H new ATOM 0 HZ1 LYS A 124 -9.185 15.300 5.048 1.00 1.82 H new ATOM 0 HZ2 LYS A 124 -8.376 14.205 4.033 1.00 1.82 H new ATOM 0 HZ3 LYS A 124 -7.498 15.392 4.872 1.00 1.82 H new ATOM 1976 N SER A 125 -5.491 13.022 -2.596 1.00 0.46 N ATOM 1977 CA SER A 125 -4.466 13.076 -3.684 1.00 0.49 C ATOM 1978 C SER A 125 -5.144 13.310 -5.035 1.00 0.46 C ATOM 1979 O SER A 125 -6.282 12.941 -5.246 1.00 0.47 O ATOM 1980 CB SER A 125 -3.689 11.759 -3.739 1.00 0.55 C ATOM 1981 OG SER A 125 -4.591 10.691 -3.997 1.00 1.34 O ATOM 0 H SER A 125 -5.681 12.093 -2.221 1.00 0.46 H new ATOM 0 HA SER A 125 -3.781 13.897 -3.472 1.00 0.49 H new ATOM 0 HB2 SER A 125 -2.929 11.804 -4.519 1.00 0.55 H new ATOM 0 HB3 SER A 125 -3.169 11.591 -2.796 1.00 0.55 H new ATOM 0 HG SER A 125 -5.475 10.916 -3.639 1.00 1.34 H new ATOM 1987 N ARG A 126 -4.443 13.914 -5.955 1.00 0.52 N ATOM 1988 CA ARG A 126 -5.027 14.172 -7.302 1.00 0.58 C ATOM 1989 C ARG A 126 -5.305 12.846 -8.015 1.00 0.58 C ATOM 1990 O ARG A 126 -6.275 12.714 -8.734 1.00 0.60 O ATOM 1991 CB ARG A 126 -4.052 15.009 -8.132 1.00 0.71 C ATOM 1992 CG ARG A 126 -3.989 16.427 -7.561 1.00 1.29 C ATOM 1993 CD ARG A 126 -3.016 17.274 -8.384 1.00 1.86 C ATOM 1994 NE ARG A 126 -1.644 16.705 -8.277 1.00 2.80 N ATOM 1995 CZ ARG A 126 -0.715 17.081 -9.112 1.00 3.67 C ATOM 1996 NH1 ARG A 126 -0.991 17.952 -10.045 1.00 3.92 N ATOM 1997 NH2 ARG A 126 0.490 16.589 -9.016 1.00 4.70 N ATOM 0 H ARG A 126 -3.485 14.242 -5.831 1.00 0.52 H new ATOM 0 HA ARG A 126 -5.964 14.716 -7.186 1.00 0.58 H new ATOM 0 HB2 ARG A 126 -3.061 14.555 -8.118 1.00 0.71 H new ATOM 0 HB3 ARG A 126 -4.374 15.038 -9.173 1.00 0.71 H new ATOM 0 HG2 ARG A 126 -4.981 16.879 -7.575 1.00 1.29 H new ATOM 0 HG3 ARG A 126 -3.668 16.396 -6.520 1.00 1.29 H new ATOM 0 HD2 ARG A 126 -3.331 17.297 -9.427 1.00 1.86 H new ATOM 0 HD3 ARG A 126 -3.022 18.304 -8.027 1.00 1.86 H new ATOM 0 HE ARG A 126 -1.431 16.021 -7.551 1.00 2.80 H new ATOM 0 HH11 ARG A 126 -1.932 18.338 -10.120 1.00 3.92 H new ATOM 0 HH12 ARG A 126 -0.265 18.247 -10.698 1.00 3.92 H new ATOM 0 HH21 ARG A 126 0.707 15.909 -8.287 1.00 4.70 H new ATOM 0 HH22 ARG A 126 1.215 16.884 -9.670 1.00 4.70 H new ATOM 2011 N PHE A 127 -4.460 11.863 -7.838 1.00 0.60 N ATOM 2012 CA PHE A 127 -4.693 10.563 -8.531 1.00 0.65 C ATOM 2013 C PHE A 127 -6.041 9.987 -8.093 1.00 0.58 C ATOM 2014 O PHE A 127 -6.859 9.611 -8.907 1.00 0.59 O ATOM 2015 CB PHE A 127 -3.592 9.570 -8.147 1.00 0.73 C ATOM 2016 CG PHE A 127 -2.276 9.989 -8.755 1.00 0.84 C ATOM 2017 CD1 PHE A 127 -1.930 9.557 -10.041 1.00 0.98 C ATOM 2018 CD2 PHE A 127 -1.398 10.804 -8.031 1.00 0.85 C ATOM 2019 CE1 PHE A 127 -0.706 9.941 -10.603 1.00 1.10 C ATOM 2020 CE2 PHE A 127 -0.174 11.187 -8.592 1.00 0.98 C ATOM 2021 CZ PHE A 127 0.172 10.756 -9.878 1.00 1.09 C ATOM 0 H PHE A 127 -3.628 11.904 -7.250 1.00 0.60 H new ATOM 0 HA PHE A 127 -4.687 10.728 -9.608 1.00 0.65 H new ATOM 0 HB2 PHE A 127 -3.500 9.520 -7.062 1.00 0.73 H new ATOM 0 HB3 PHE A 127 -3.858 8.570 -8.491 1.00 0.73 H new ATOM 0 HD1 PHE A 127 -2.607 8.928 -10.600 1.00 0.98 H new ATOM 0 HD2 PHE A 127 -1.665 11.137 -7.039 1.00 0.85 H new ATOM 0 HE1 PHE A 127 -0.439 9.609 -11.595 1.00 1.10 H new ATOM 0 HE2 PHE A 127 0.503 11.815 -8.033 1.00 0.98 H new ATOM 0 HZ PHE A 127 1.116 11.052 -10.311 1.00 1.09 H new ATOM 2031 N TYR A 128 -6.280 9.920 -6.813 1.00 0.52 N ATOM 2032 CA TYR A 128 -7.578 9.373 -6.327 1.00 0.48 C ATOM 2033 C TYR A 128 -8.721 10.241 -6.847 1.00 0.45 C ATOM 2034 O TYR A 128 -9.718 9.751 -7.336 1.00 0.47 O ATOM 2035 CB TYR A 128 -7.602 9.392 -4.801 1.00 0.48 C ATOM 2036 CG TYR A 128 -8.892 8.779 -4.309 1.00 0.48 C ATOM 2037 CD1 TYR A 128 -8.961 7.403 -4.059 1.00 0.51 C ATOM 2038 CD2 TYR A 128 -10.017 9.586 -4.100 1.00 0.51 C ATOM 2039 CE1 TYR A 128 -10.155 6.834 -3.601 1.00 0.56 C ATOM 2040 CE2 TYR A 128 -11.211 9.016 -3.642 1.00 0.55 C ATOM 2041 CZ TYR A 128 -11.280 7.640 -3.393 1.00 0.58 C ATOM 2042 OH TYR A 128 -12.458 7.079 -2.942 1.00 0.66 O ATOM 0 H TYR A 128 -5.634 10.220 -6.083 1.00 0.52 H new ATOM 0 HA TYR A 128 -7.693 8.350 -6.686 1.00 0.48 H new ATOM 0 HB2 TYR A 128 -6.750 8.838 -4.407 1.00 0.48 H new ATOM 0 HB3 TYR A 128 -7.512 10.416 -4.438 1.00 0.48 H new ATOM 0 HD1 TYR A 128 -8.093 6.781 -4.220 1.00 0.51 H new ATOM 0 HD2 TYR A 128 -9.964 10.647 -4.292 1.00 0.51 H new ATOM 0 HE1 TYR A 128 -10.208 5.773 -3.408 1.00 0.56 H new ATOM 0 HE2 TYR A 128 -12.079 9.638 -3.481 1.00 0.55 H new ATOM 0 HH TYR A 128 -13.139 7.778 -2.850 1.00 0.66 H new ATOM 2052 N LEU A 129 -8.581 11.531 -6.724 1.00 0.45 N ATOM 2053 CA LEU A 129 -9.656 12.453 -7.181 1.00 0.49 C ATOM 2054 C LEU A 129 -9.901 12.261 -8.678 1.00 0.55 C ATOM 2055 O LEU A 129 -11.027 12.146 -9.119 1.00 0.61 O ATOM 2056 CB LEU A 129 -9.218 13.896 -6.916 1.00 0.53 C ATOM 2057 CG LEU A 129 -9.177 14.156 -5.402 1.00 0.50 C ATOM 2058 CD1 LEU A 129 -8.578 15.539 -5.127 1.00 0.59 C ATOM 2059 CD2 LEU A 129 -10.593 14.094 -4.814 1.00 0.55 C ATOM 0 H LEU A 129 -7.762 11.989 -6.324 1.00 0.45 H new ATOM 0 HA LEU A 129 -10.577 12.239 -6.639 1.00 0.49 H new ATOM 0 HB2 LEU A 129 -8.235 14.073 -7.352 1.00 0.53 H new ATOM 0 HB3 LEU A 129 -9.909 14.590 -7.395 1.00 0.53 H new ATOM 0 HG LEU A 129 -8.559 13.389 -4.935 1.00 0.50 H new ATOM 0 HD11 LEU A 129 -8.552 15.717 -4.052 1.00 0.59 H new ATOM 0 HD12 LEU A 129 -7.565 15.583 -5.527 1.00 0.59 H new ATOM 0 HD13 LEU A 129 -9.190 16.303 -5.606 1.00 0.59 H new ATOM 0 HD21 LEU A 129 -10.550 14.280 -3.741 1.00 0.55 H new ATOM 0 HD22 LEU A 129 -11.217 14.851 -5.289 1.00 0.55 H new ATOM 0 HD23 LEU A 129 -11.019 13.107 -4.994 1.00 0.55 H new ATOM 2071 N ASP A 130 -8.863 12.218 -9.467 1.00 0.59 N ATOM 2072 CA ASP A 130 -9.063 12.023 -10.930 1.00 0.67 C ATOM 2073 C ASP A 130 -9.778 10.693 -11.158 1.00 0.65 C ATOM 2074 O ASP A 130 -10.766 10.615 -11.859 1.00 0.72 O ATOM 2075 CB ASP A 130 -7.705 12.003 -11.636 1.00 0.76 C ATOM 2076 CG ASP A 130 -7.091 13.403 -11.609 1.00 0.87 C ATOM 2077 OD1 ASP A 130 -7.835 14.351 -11.416 1.00 1.23 O ATOM 2078 OD2 ASP A 130 -5.888 13.504 -11.783 1.00 1.58 O ATOM 0 H ASP A 130 -7.893 12.309 -9.165 1.00 0.59 H new ATOM 0 HA ASP A 130 -9.663 12.839 -11.333 1.00 0.67 H new ATOM 0 HB2 ASP A 130 -7.039 11.294 -11.145 1.00 0.76 H new ATOM 0 HB3 ASP A 130 -7.824 11.667 -12.666 1.00 0.76 H new ATOM 2083 N LEU A 131 -9.292 9.645 -10.556 1.00 0.61 N ATOM 2084 CA LEU A 131 -9.949 8.321 -10.719 1.00 0.66 C ATOM 2085 C LEU A 131 -11.296 8.339 -9.994 1.00 0.67 C ATOM 2086 O LEU A 131 -12.196 7.593 -10.325 1.00 0.82 O ATOM 2087 CB LEU A 131 -9.066 7.221 -10.112 1.00 0.70 C ATOM 2088 CG LEU A 131 -7.649 7.280 -10.701 1.00 0.76 C ATOM 2089 CD1 LEU A 131 -6.686 6.551 -9.763 1.00 0.85 C ATOM 2090 CD2 LEU A 131 -7.619 6.591 -12.073 1.00 0.85 C ATOM 0 H LEU A 131 -8.466 9.649 -9.957 1.00 0.61 H new ATOM 0 HA LEU A 131 -10.097 8.120 -11.780 1.00 0.66 H new ATOM 0 HB2 LEU A 131 -9.021 7.339 -9.029 1.00 0.70 H new ATOM 0 HB3 LEU A 131 -9.507 6.244 -10.308 1.00 0.70 H new ATOM 0 HG LEU A 131 -7.353 8.323 -10.813 1.00 0.76 H new ATOM 0 HD11 LEU A 131 -5.678 6.589 -10.175 1.00 0.85 H new ATOM 0 HD12 LEU A 131 -6.697 7.032 -8.785 1.00 0.85 H new ATOM 0 HD13 LEU A 131 -6.996 5.511 -9.659 1.00 0.85 H new ATOM 0 HD21 LEU A 131 -6.610 6.638 -12.482 1.00 0.85 H new ATOM 0 HD22 LEU A 131 -7.917 5.548 -11.963 1.00 0.85 H new ATOM 0 HD23 LEU A 131 -8.309 7.096 -12.749 1.00 0.85 H new ATOM 2102 N THR A 132 -11.426 9.177 -8.992 1.00 0.58 N ATOM 2103 CA THR A 132 -12.702 9.242 -8.217 1.00 0.65 C ATOM 2104 C THR A 132 -13.339 10.629 -8.348 1.00 0.77 C ATOM 2105 O THR A 132 -13.331 11.414 -7.421 1.00 0.84 O ATOM 2106 CB THR A 132 -12.417 8.962 -6.735 1.00 0.60 C ATOM 2107 OG1 THR A 132 -11.734 10.071 -6.169 1.00 0.53 O ATOM 2108 CG2 THR A 132 -11.555 7.703 -6.592 1.00 0.79 C ATOM 0 H THR A 132 -10.699 9.820 -8.678 1.00 0.58 H new ATOM 0 HA THR A 132 -13.388 8.494 -8.615 1.00 0.65 H new ATOM 0 HB THR A 132 -13.361 8.806 -6.214 1.00 0.60 H new ATOM 0 HG1 THR A 132 -11.458 9.853 -5.254 1.00 0.53 H new ATOM 0 HG21 THR A 132 -11.359 7.514 -5.537 1.00 0.79 H new ATOM 0 HG22 THR A 132 -12.082 6.851 -7.022 1.00 0.79 H new ATOM 0 HG23 THR A 132 -10.610 7.847 -7.116 1.00 0.79 H new ATOM 2116 N ASN A 133 -13.911 10.931 -9.481 1.00 0.97 N ATOM 2117 CA ASN A 133 -14.569 12.260 -9.651 1.00 1.21 C ATOM 2118 C ASN A 133 -16.010 12.179 -9.142 1.00 1.48 C ATOM 2119 O ASN A 133 -16.515 11.115 -8.847 1.00 1.63 O ATOM 2120 CB ASN A 133 -14.583 12.652 -11.131 1.00 1.44 C ATOM 2121 CG ASN A 133 -13.231 13.247 -11.522 1.00 1.35 C ATOM 2122 OD1 ASN A 133 -12.292 12.464 -11.972 1.00 1.57 O flip ATOM 2123 ND2 ASN A 133 -13.027 14.440 -11.414 1.00 1.89 N flip ATOM 0 H ASN A 133 -13.952 10.318 -10.295 1.00 0.97 H new ATOM 0 HA ASN A 133 -14.014 13.008 -9.085 1.00 1.21 H new ATOM 0 HB2 ASN A 133 -14.797 11.778 -11.746 1.00 1.44 H new ATOM 0 HB3 ASN A 133 -15.377 13.376 -11.317 1.00 1.44 H new ATOM 0 HD21 ASN A 133 -13.762 15.053 -11.062 1.00 1.89 H new ATOM 0 HD22 ASN A 133 -12.121 14.828 -11.676 1.00 1.89 H new TER 2130 ASN A 133 END