USER MOD reduce.3.24.130724 H: found=0, std=0, add=1458, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 1456 hydrogens (0 hets) HEADER TRANSPORT PROTEIN 23-FEB-99 1NGL TITLE HUMAN NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN (HNGAL), TITLE 2 REGULARISED AVERAGE NMR STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (NGAL); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: MATURE SEQUENCE; COMPND 5 SYNONYM: HNGAL, HNL; COMPND 6 ENGINEERED: YES; COMPND 7 OTHER_DETAILS: METHIONINE PRECEDES MATURE PROTEIN SEQUENCE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL: NEUTROPHIL; SOURCE 6 CELLULAR_LOCATION: EXTRACELLULAR MATRIX; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21[DE3]; SOURCE 0 EXPRESSION_SYSTEM_VECTOR: PET11A KEYWDS TRANSPORT PROTEIN, MMP-9 COMPONENT, LIPOCALIN EXPDTA SOLUTION NMR AUTHOR M.COLES,T.DIERCKS,B.MUEHLENWEG,S.BARTSCH,V.ZOELZER, AUTHOR 2 H.TSCHESCHE,H.KESSLER REVDAT 4 24-FEB-09 1NGL 1 VERSN REVDAT 3 01-APR-03 1NGL 1 JRNL REVDAT 2 07-JUN-99 1NGL 1 REMARK REVDAT 1 26-MAY-99 1NGL 0 JRNL AUTH M.COLES,T.DIERCKS,B.MUEHLENWEG,S.BARTSCH,V.ZOLZER, JRNL AUTH 2 H.TSCHESCHE,H.KESSLER JRNL TITL THE SOLUTION STRUCTURE AND DYNAMICS OF HUMAN JRNL TITL 2 NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN. JRNL REF J.MOL.BIOL. V. 289 139 1999 JRNL REFN ISSN 0022-2836 JRNL PMID 10339412 JRNL DOI 10.1006/JMBI.1999.2755 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1NGL COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-FEB-99. REMARK 100 THE RCSB ID CODE IS RCSB000528. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.1 REMARK 210 IONIC STRENGTH : 50 MM REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 15N-NOESY, 13C-NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ REMARK 210 SPECTROMETER MODEL : DMX750 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : SIMULATED 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: MEAN STRUCTURE. STRUCTURE DETERMINED USING TRIPLE- REMARK 210 RESONANCE NMR SPECTROSCOPY ON 15N AND 13C/15N LABELLED HNGAL. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O LEU A 37 O VAL A 168 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 6 75.27 -106.26 REMARK 500 VAL A 17 39.57 -145.04 REMARK 500 GLN A 21 -150.03 -63.11 REMARK 500 ASN A 22 33.03 -85.63 REMARK 500 GLU A 61 38.26 -63.08 REMARK 500 ASP A 62 59.05 -149.06 REMARK 500 LYS A 63 60.20 25.94 REMARK 500 LYS A 75 40.61 -143.06 REMARK 500 ASN A 97 56.10 -151.60 REMARK 500 PRO A 102 -77.03 -76.51 REMARK 500 TYR A 116 -7.89 -49.46 REMARK 500 GLN A 118 -69.01 -141.57 REMARK 500 GLN A 129 -50.15 -19.76 REMARK 500 ASN A 130 39.46 -146.17 REMARK 500 LEU A 145 -143.50 -118.11 REMARK 500 LEU A 162 -159.76 36.91 REMARK 500 PRO A 163 48.41 -94.57 REMARK 500 ASN A 165 -125.33 -141.89 REMARK 500 HIS A 166 55.74 -97.76 REMARK 500 PRO A 170 32.76 -83.02 REMARK 500 PRO A 172 -160.83 -74.09 REMARK 500 ILE A 173 -87.65 -95.53 REMARK 500 REMARK 500 REMARK: NULL DBREF 1NGL A 2 179 UNP P80188 NGAL_HUMAN 21 198 SEQADV 1NGL MET A 1 UNP P80188 SEE REMARK 999 SEQRES 1 A 179 MET GLN ASP SER THR SER ASP LEU ILE PRO ALA PRO PRO SEQRES 2 A 179 LEU SER LYS VAL PRO LEU GLN GLN ASN PHE GLN ASP ASN SEQRES 3 A 179 GLN PHE GLN GLY LYS TRP TYR VAL VAL GLY LEU ALA GLY SEQRES 4 A 179 ASN ALA ILE LEU ARG GLU ASP LYS ASP PRO GLN LYS MET SEQRES 5 A 179 TYR ALA THR ILE TYR GLU LEU LYS GLU ASP LYS SER TYR SEQRES 6 A 179 ASN VAL THR SER VAL LEU PHE ARG LYS LYS LYS CYS ASP SEQRES 7 A 179 TYR TRP ILE ARG THR PHE VAL PRO GLY CYS GLN PRO GLY SEQRES 8 A 179 GLU PHE THR LEU GLY ASN ILE LYS SER TYR PRO GLY LEU SEQRES 9 A 179 THR SER TYR LEU VAL ARG VAL VAL SER THR ASN TYR ASN SEQRES 10 A 179 GLN HIS ALA MET VAL PHE PHE LYS LYS VAL SER GLN ASN SEQRES 11 A 179 ARG GLU TYR PHE LYS ILE THR LEU TYR GLY ARG THR LYS SEQRES 12 A 179 GLU LEU THR SER GLU LEU LYS GLU ASN PHE ILE ARG PHE SEQRES 13 A 179 SER LYS SER LEU GLY LEU PRO GLU ASN HIS ILE VAL PHE SEQRES 14 A 179 PRO VAL PRO ILE ASP GLN CYS ILE ASP GLY HELIX 1 1 LEU A 14 LYS A 16 5 3 HELIX 2 2 ASP A 25 PHE A 28 1 4 HELIX 3 3 SER A 147 GLY A 161 5 15 SHEET 1 A 8 PHE A 93 LEU A 95 0 SHEET 2 A 8 CYS A 77 PRO A 86 -1 N VAL A 85 O THR A 94 SHEET 3 A 8 SER A 64 PHE A 72 -1 N LEU A 71 O ASP A 78 SHEET 4 A 8 ALA A 54 LYS A 60 -1 N LYS A 60 O SER A 64 SHEET 5 A 8 LYS A 31 GLY A 39 -1 N TRP A 32 O THR A 55 SHEET 6 A 8 ARG A 131 GLY A 140 -1 N GLY A 140 O TYR A 33 SHEET 7 A 8 ALA A 120 SER A 128 -1 N SER A 128 O ARG A 131 SHEET 8 A 8 LEU A 104 VAL A 111 -1 N ARG A 110 O PHE A 123 SHEET 1 B 2 LEU A 37 GLY A 39 0 SHEET 2 B 2 HIS A 166 VAL A 168 -1 N VAL A 168 O LEU A 37 SSBOND *** CYS A 77 CYS A 176 1555 1555 2.02 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 165 ASN : amide:sc= -4.81! C(o=-8.6!,f=-13!) USER MOD Set 1.2: A 166 HIS :FLIP no HE2:sc= -3.84! C(o=-11!,f=-8.6!) USER MOD Set 2.1: A 115 ASN : amide:sc= 0.0793 K(o=-1.5,f=-7.8!) USER MOD Set 2.2: A 117 ASN :FLIP amide:sc= -1.23 F(o=-5.8!,f=-1.5) USER MOD Set 2.3: A 118 GLN :FLIP amide:sc= -0.329 F(o=-2.7!,f=-1.5) USER MOD Set 3.1: A 20 GLN : amide:sc= -4.82! C(o=-7.2!,f=-14!) USER MOD Set 3.2: A 114 THR OG1 : rot 180:sc= -2.4! USER MOD Set 4.1: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 126 LYS NZ :NH3+ 148:sc= -0.163 (180deg=-1.33!) USER MOD Set 5.1: A 55 THR OG1 : rot 180:sc= 0.518 USER MOD Set 5.2: A 69 SER OG : rot -59:sc= 0.566 USER MOD Set 6.1: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 135 LYS NZ :NH3+ -144:sc= -2.04! (180deg=-3.62!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= -0.142 (180deg=-1.15) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0488 USER MOD Single : A 15 SER OG : rot 180:sc= -0.423 USER MOD Single : A 16 LYS NZ :NH3+ -125:sc= -0.0975 (180deg=-0.319) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.0577 F(o=-2.1!,f=-0.058) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.609 F(o=-3.7!,f=-0.61) USER MOD Single : A 24 GLN :FLIP amide:sc= -6.09! C(o=-7.1!,f=-6.1!) USER MOD Single : A 26 ASN :FLIP amide:sc= -1.16 F(o=-1.8,f=-1.2) USER MOD Single : A 27 GLN : amide:sc=-0.00483 K(o=-0.0048,f=-1.6!) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.0673 F(o=-0.77,f=-0.067) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 65:sc= -1.23 USER MOD Single : A 40 ASN : amide:sc= -3.36! C(o=-3.4!,f=-18!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 51 LYS NZ :NH3+ -157:sc= -0.0281 (180deg=-0.543) USER MOD Single : A 52 MET CE :methyl 152:sc= -2.77! (180deg=-5.39!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 173:sc= -3.96! USER MOD Single : A 66 ASN : amide:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.88 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 97 ASN : amide:sc= -1.89! C(o=-1.9!,f=-4.7!) USER MOD Single : A 99 LYS NZ :NH3+ -160:sc= -0.0219 (180deg=-0.641) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -53:sc= -4.18 USER MOD Single : A 106 SER OG : rot 29:sc= 1.06 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 HIS :FLIP no HD1:sc= -1.84 F(o=-2.3!,f=-1.8) USER MOD Single : A 121 MET CE :methyl -154:sc= -0.114 (180deg=-0.852) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot -27:sc= 0.959 USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.1!) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 180:sc= -0.092 USER MOD Single : A 139 TYR OH : rot 75:sc= 0.0375 USER MOD Single : A 142 THR OG1 : rot 119:sc= 1.21 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot 180:sc= -0.801 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 ASN :FLIP amide:sc= -2.21 F(o=-3.4!,f=-2.2) USER MOD Single : A 157 SER OG : rot 99:sc= 0.368 USER MOD Single : A 158 LYS NZ :NH3+ -145:sc= -0.358 (180deg=-2.39!) USER MOD Single : A 159 SER OG : rot 85:sc= 0.262 USER MOD Single : A 175 GLN :FLIP amide:sc= -3.26! C(o=-6.9!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 168.067 -18.981 -21.375 1.00 15.36 N ATOM 2 CA MET A 1 167.049 -18.100 -22.015 1.00 14.96 C ATOM 3 C MET A 1 167.254 -18.073 -23.536 1.00 14.48 C ATOM 4 O MET A 1 167.506 -19.089 -24.152 1.00 14.52 O ATOM 5 CB MET A 1 167.285 -16.717 -21.405 1.00 15.56 C ATOM 6 CG MET A 1 167.020 -16.770 -19.899 1.00 16.03 C ATOM 7 SD MET A 1 167.301 -15.133 -19.179 1.00 16.85 S ATOM 8 CE MET A 1 166.787 -15.535 -17.491 1.00 17.39 C ATOM 0 H1 MET A 1 167.614 -19.555 -20.635 1.00 15.36 H new ATOM 0 H2 MET A 1 168.484 -19.608 -22.093 1.00 15.36 H new ATOM 0 H3 MET A 1 168.814 -18.396 -20.950 1.00 15.36 H new ATOM 0 HA MET A 1 166.030 -18.447 -21.844 1.00 14.96 H new ATOM 0 HB2 MET A 1 168.309 -16.395 -21.593 1.00 15.56 H new ATOM 0 HB3 MET A 1 166.629 -15.984 -21.875 1.00 15.56 H new ATOM 0 HG2 MET A 1 165.996 -17.091 -19.710 1.00 16.03 H new ATOM 0 HG3 MET A 1 167.676 -17.503 -19.429 1.00 16.03 H new ATOM 0 HE1 MET A 1 166.882 -14.650 -16.861 1.00 17.39 H new ATOM 0 HE2 MET A 1 165.749 -15.867 -17.496 1.00 17.39 H new ATOM 0 HE3 MET A 1 167.421 -16.330 -17.097 1.00 17.39 H new ATOM 20 N GLN A 2 167.112 -16.927 -24.150 1.00 14.19 N ATOM 21 CA GLN A 2 167.261 -16.849 -25.635 1.00 13.90 C ATOM 22 C GLN A 2 166.276 -17.800 -26.318 1.00 13.13 C ATOM 23 O GLN A 2 166.595 -18.444 -27.298 1.00 13.09 O ATOM 24 CB GLN A 2 168.703 -17.271 -25.917 1.00 13.99 C ATOM 25 CG GLN A 2 169.659 -16.184 -25.423 1.00 14.06 C ATOM 26 CD GLN A 2 171.098 -16.697 -25.496 1.00 14.41 C ATOM 27 OE1 GLN A 2 171.431 -17.545 -26.431 1.00 14.69 O flip ATOM 28 NE2 GLN A 2 171.931 -16.317 -24.697 1.00 14.56 N flip ATOM 0 H GLN A 2 166.900 -16.043 -23.689 1.00 14.19 H new ATOM 0 HA GLN A 2 167.051 -15.850 -26.017 1.00 13.90 H new ATOM 0 HB2 GLN A 2 168.921 -18.216 -25.418 1.00 13.99 H new ATOM 0 HB3 GLN A 2 168.843 -17.435 -26.986 1.00 13.99 H new ATOM 0 HG2 GLN A 2 169.551 -15.286 -26.031 1.00 14.06 H new ATOM 0 HG3 GLN A 2 169.412 -15.906 -24.398 1.00 14.06 H new ATOM 0 HE21 GLN A 2 171.672 -15.654 -23.966 1.00 14.56 H new ATOM 0 HE22 GLN A 2 172.889 -16.661 -24.757 1.00 14.56 H new ATOM 37 N ASP A 3 165.078 -17.881 -25.813 1.00 12.64 N ATOM 38 CA ASP A 3 164.059 -18.775 -26.432 1.00 12.00 C ATOM 39 C ASP A 3 162.657 -18.270 -26.081 1.00 11.07 C ATOM 40 O ASP A 3 162.503 -17.302 -25.363 1.00 10.98 O ATOM 41 CB ASP A 3 164.312 -20.149 -25.810 1.00 12.41 C ATOM 42 CG ASP A 3 164.173 -21.232 -26.881 1.00 12.36 C ATOM 43 OD1 ASP A 3 164.629 -21.004 -27.990 1.00 12.35 O ATOM 44 OD2 ASP A 3 163.618 -22.274 -26.573 1.00 12.50 O ATOM 0 H ASP A 3 164.758 -17.364 -24.994 1.00 12.64 H new ATOM 0 HA ASP A 3 164.128 -18.807 -27.519 1.00 12.00 H new ATOM 0 HB2 ASP A 3 165.310 -20.183 -25.372 1.00 12.41 H new ATOM 0 HB3 ASP A 3 163.603 -20.330 -25.002 1.00 12.41 H new ATOM 49 N SER A 4 161.632 -18.917 -26.562 1.00 10.56 N ATOM 50 CA SER A 4 160.256 -18.455 -26.225 1.00 9.79 C ATOM 51 C SER A 4 160.154 -18.200 -24.719 1.00 9.09 C ATOM 52 O SER A 4 160.573 -19.007 -23.913 1.00 9.15 O ATOM 53 CB SER A 4 159.336 -19.602 -26.642 1.00 9.82 C ATOM 54 OG SER A 4 158.007 -19.310 -26.231 1.00 10.19 O ATOM 0 H SER A 4 161.685 -19.736 -27.167 1.00 10.56 H new ATOM 0 HA SER A 4 159.991 -17.526 -26.729 1.00 9.79 H new ATOM 0 HB2 SER A 4 159.373 -19.739 -27.723 1.00 9.82 H new ATOM 0 HB3 SER A 4 159.672 -20.536 -26.191 1.00 9.82 H new ATOM 0 HG SER A 4 157.414 -20.043 -26.498 1.00 10.19 H new ATOM 60 N THR A 5 159.688 -17.042 -24.337 1.00 8.66 N ATOM 61 CA THR A 5 159.662 -16.687 -22.888 1.00 8.18 C ATOM 62 C THR A 5 158.291 -16.126 -22.503 1.00 7.18 C ATOM 63 O THR A 5 157.310 -16.336 -23.189 1.00 6.88 O ATOM 64 CB THR A 5 160.748 -15.623 -22.720 1.00 8.81 C ATOM 65 OG1 THR A 5 160.518 -14.564 -23.639 1.00 8.92 O ATOM 66 CG2 THR A 5 162.120 -16.245 -22.989 1.00 9.80 C ATOM 0 H THR A 5 159.324 -16.326 -24.965 1.00 8.66 H new ATOM 0 HA THR A 5 159.839 -17.552 -22.248 1.00 8.18 H new ATOM 0 HB THR A 5 160.721 -15.234 -21.702 1.00 8.81 H new ATOM 0 HG1 THR A 5 161.212 -13.881 -23.531 1.00 8.92 H new ATOM 0 HG21 THR A 5 162.893 -15.486 -22.869 1.00 9.80 H new ATOM 0 HG22 THR A 5 162.296 -17.057 -22.284 1.00 9.80 H new ATOM 0 HG23 THR A 5 162.149 -16.635 -24.006 1.00 9.80 H new ATOM 74 N SER A 6 158.193 -15.510 -21.356 1.00 6.89 N ATOM 75 CA SER A 6 156.860 -15.051 -20.871 1.00 6.06 C ATOM 76 C SER A 6 156.725 -13.527 -20.993 1.00 5.66 C ATOM 77 O SER A 6 156.665 -12.821 -20.006 1.00 6.26 O ATOM 78 CB SER A 6 156.810 -15.480 -19.405 1.00 6.42 C ATOM 79 OG SER A 6 158.036 -15.137 -18.774 1.00 6.60 O ATOM 0 H SER A 6 158.976 -15.305 -20.735 1.00 6.89 H new ATOM 0 HA SER A 6 156.045 -15.477 -21.455 1.00 6.06 H new ATOM 0 HB2 SER A 6 155.978 -14.991 -18.899 1.00 6.42 H new ATOM 0 HB3 SER A 6 156.639 -16.554 -19.334 1.00 6.42 H new ATOM 0 HG SER A 6 158.007 -15.409 -17.833 1.00 6.60 H new ATOM 85 N ASP A 7 156.527 -13.037 -22.188 1.00 4.92 N ATOM 86 CA ASP A 7 156.218 -11.585 -22.363 1.00 4.72 C ATOM 87 C ASP A 7 154.867 -11.438 -23.062 1.00 4.04 C ATOM 88 O ASP A 7 154.668 -10.576 -23.895 1.00 4.13 O ATOM 89 CB ASP A 7 157.346 -11.034 -23.237 1.00 5.42 C ATOM 90 CG ASP A 7 157.938 -9.783 -22.586 1.00 5.74 C ATOM 91 OD1 ASP A 7 157.923 -9.708 -21.369 1.00 6.05 O ATOM 92 OD2 ASP A 7 158.397 -8.920 -23.317 1.00 6.02 O ATOM 0 H ASP A 7 156.566 -13.579 -23.052 1.00 4.92 H new ATOM 0 HA ASP A 7 156.156 -11.050 -21.415 1.00 4.72 H new ATOM 0 HB2 ASP A 7 158.121 -11.790 -23.367 1.00 5.42 H new ATOM 0 HB3 ASP A 7 156.966 -10.794 -24.230 1.00 5.42 H new ATOM 97 N LEU A 8 154.005 -12.381 -22.833 1.00 3.85 N ATOM 98 CA LEU A 8 152.719 -12.446 -23.588 1.00 3.83 C ATOM 99 C LEU A 8 151.805 -11.264 -23.235 1.00 3.62 C ATOM 100 O LEU A 8 151.008 -10.830 -24.043 1.00 3.96 O ATOM 101 CB LEU A 8 152.081 -13.760 -23.136 1.00 4.36 C ATOM 102 CG LEU A 8 153.009 -14.927 -23.481 1.00 4.67 C ATOM 103 CD1 LEU A 8 152.605 -16.154 -22.662 1.00 5.47 C ATOM 104 CD2 LEU A 8 152.891 -15.253 -24.971 1.00 4.74 C ATOM 0 H LEU A 8 154.134 -13.123 -22.145 1.00 3.85 H new ATOM 0 HA LEU A 8 152.877 -12.398 -24.665 1.00 3.83 H new ATOM 0 HB2 LEU A 8 151.895 -13.735 -22.062 1.00 4.36 H new ATOM 0 HB3 LEU A 8 151.115 -13.894 -23.624 1.00 4.36 H new ATOM 0 HG LEU A 8 154.038 -14.653 -23.250 1.00 4.67 H new ATOM 0 HD11 LEU A 8 153.264 -16.987 -22.906 1.00 5.47 H new ATOM 0 HD12 LEU A 8 152.687 -15.925 -21.599 1.00 5.47 H new ATOM 0 HD13 LEU A 8 151.576 -16.425 -22.897 1.00 5.47 H new ATOM 0 HD21 LEU A 8 153.552 -16.084 -25.215 1.00 4.74 H new ATOM 0 HD22 LEU A 8 151.862 -15.528 -25.203 1.00 4.74 H new ATOM 0 HD23 LEU A 8 153.174 -14.379 -25.558 1.00 4.74 H new ATOM 116 N ILE A 9 151.760 -10.894 -21.984 1.00 3.23 N ATOM 117 CA ILE A 9 150.717 -9.923 -21.535 1.00 3.06 C ATOM 118 C ILE A 9 150.882 -8.568 -22.232 1.00 3.22 C ATOM 119 O ILE A 9 151.982 -8.079 -22.396 1.00 3.32 O ATOM 120 CB ILE A 9 150.938 -9.775 -20.030 1.00 2.73 C ATOM 121 CG1 ILE A 9 150.553 -11.077 -19.325 1.00 2.72 C ATOM 122 CG2 ILE A 9 150.068 -8.635 -19.497 1.00 2.66 C ATOM 123 CD1 ILE A 9 151.205 -11.117 -17.941 1.00 2.45 C ATOM 0 H ILE A 9 152.396 -11.219 -21.256 1.00 3.23 H new ATOM 0 HA ILE A 9 149.713 -10.273 -21.777 1.00 3.06 H new ATOM 0 HB ILE A 9 151.988 -9.554 -19.839 1.00 2.73 H new ATOM 0 HG12 ILE A 9 149.469 -11.146 -19.231 1.00 2.72 H new ATOM 0 HG13 ILE A 9 150.877 -11.933 -19.917 1.00 2.72 H new ATOM 0 HG21 ILE A 9 150.225 -8.529 -18.424 1.00 2.66 H new ATOM 0 HG22 ILE A 9 150.340 -7.705 -19.997 1.00 2.66 H new ATOM 0 HG23 ILE A 9 149.019 -8.857 -19.690 1.00 2.66 H new ATOM 0 HD11 ILE A 9 150.932 -12.044 -17.437 1.00 2.45 H new ATOM 0 HD12 ILE A 9 152.289 -11.068 -18.048 1.00 2.45 H new ATOM 0 HD13 ILE A 9 150.859 -10.268 -17.351 1.00 2.45 H new ATOM 135 N PRO A 10 149.764 -8.007 -22.615 1.00 3.37 N ATOM 136 CA PRO A 10 149.751 -6.692 -23.289 1.00 3.61 C ATOM 137 C PRO A 10 149.772 -5.575 -22.242 1.00 3.33 C ATOM 138 O PRO A 10 149.815 -5.832 -21.055 1.00 3.30 O ATOM 139 CB PRO A 10 148.425 -6.695 -24.040 1.00 3.98 C ATOM 140 CG PRO A 10 147.537 -7.640 -23.284 1.00 3.86 C ATOM 141 CD PRO A 10 148.414 -8.553 -22.458 1.00 3.50 C ATOM 0 HA PRO A 10 150.608 -6.528 -23.943 1.00 3.61 H new ATOM 0 HB2 PRO A 10 147.993 -5.695 -24.077 1.00 3.98 H new ATOM 0 HB3 PRO A 10 148.559 -7.022 -25.071 1.00 3.98 H new ATOM 0 HG2 PRO A 10 146.853 -7.086 -22.641 1.00 3.86 H new ATOM 0 HG3 PRO A 10 146.926 -8.222 -23.974 1.00 3.86 H new ATOM 0 HD2 PRO A 10 148.107 -8.558 -21.412 1.00 3.50 H new ATOM 0 HD3 PRO A 10 148.359 -9.583 -22.811 1.00 3.50 H new ATOM 149 N ALA A 11 149.675 -4.341 -22.661 1.00 3.39 N ATOM 150 CA ALA A 11 149.623 -3.225 -21.671 1.00 3.23 C ATOM 151 C ALA A 11 148.321 -3.303 -20.865 1.00 2.94 C ATOM 152 O ALA A 11 147.245 -3.323 -21.428 1.00 3.38 O ATOM 153 CB ALA A 11 149.655 -1.946 -22.510 1.00 3.72 C ATOM 0 H ALA A 11 149.630 -4.058 -23.640 1.00 3.39 H new ATOM 0 HA ALA A 11 150.447 -3.264 -20.959 1.00 3.23 H new ATOM 0 HB1 ALA A 11 149.620 -1.078 -21.852 1.00 3.72 H new ATOM 0 HB2 ALA A 11 150.573 -1.919 -23.097 1.00 3.72 H new ATOM 0 HB3 ALA A 11 148.795 -1.929 -23.180 1.00 3.72 H new ATOM 159 N PRO A 12 148.465 -3.346 -19.568 1.00 2.50 N ATOM 160 CA PRO A 12 147.284 -3.428 -18.673 1.00 2.36 C ATOM 161 C PRO A 12 146.550 -2.083 -18.623 1.00 2.39 C ATOM 162 O PRO A 12 147.148 -1.056 -18.370 1.00 2.38 O ATOM 163 CB PRO A 12 147.888 -3.779 -17.318 1.00 2.26 C ATOM 164 CG PRO A 12 149.297 -3.279 -17.376 1.00 2.44 C ATOM 165 CD PRO A 12 149.727 -3.323 -18.820 1.00 2.57 C ATOM 0 HA PRO A 12 146.544 -4.157 -19.003 1.00 2.36 H new ATOM 0 HB2 PRO A 12 147.335 -3.306 -16.506 1.00 2.26 H new ATOM 0 HB3 PRO A 12 147.858 -4.854 -17.140 1.00 2.26 H new ATOM 0 HG2 PRO A 12 149.361 -2.263 -16.986 1.00 2.44 H new ATOM 0 HG3 PRO A 12 149.950 -3.898 -16.761 1.00 2.44 H new ATOM 0 HD2 PRO A 12 150.331 -2.454 -19.083 1.00 2.57 H new ATOM 0 HD3 PRO A 12 150.331 -4.206 -19.030 1.00 2.57 H new ATOM 173 N PRO A 13 145.269 -2.140 -18.877 1.00 2.90 N ATOM 174 CA PRO A 13 144.428 -0.917 -18.873 1.00 3.28 C ATOM 175 C PRO A 13 144.107 -0.456 -17.450 1.00 2.70 C ATOM 176 O PRO A 13 144.445 -1.101 -16.477 1.00 2.05 O ATOM 177 CB PRO A 13 143.156 -1.352 -19.586 1.00 4.19 C ATOM 178 CG PRO A 13 143.083 -2.836 -19.397 1.00 4.24 C ATOM 179 CD PRO A 13 144.490 -3.342 -19.192 1.00 3.53 C ATOM 0 HA PRO A 13 144.927 -0.074 -19.351 1.00 3.28 H new ATOM 0 HB2 PRO A 13 142.280 -0.858 -19.164 1.00 4.19 H new ATOM 0 HB3 PRO A 13 143.190 -1.092 -20.644 1.00 4.19 H new ATOM 0 HG2 PRO A 13 142.459 -3.082 -18.538 1.00 4.24 H new ATOM 0 HG3 PRO A 13 142.629 -3.310 -20.267 1.00 4.24 H new ATOM 0 HD2 PRO A 13 144.536 -4.069 -18.381 1.00 3.53 H new ATOM 0 HD3 PRO A 13 144.868 -3.837 -20.086 1.00 3.53 H new ATOM 187 N LEU A 14 143.452 0.667 -17.336 1.00 3.06 N ATOM 188 CA LEU A 14 143.091 1.211 -15.999 1.00 2.61 C ATOM 189 C LEU A 14 141.977 0.373 -15.354 1.00 2.46 C ATOM 190 O LEU A 14 141.466 0.710 -14.305 1.00 2.16 O ATOM 191 CB LEU A 14 142.612 2.636 -16.301 1.00 3.24 C ATOM 192 CG LEU A 14 141.115 2.643 -16.628 1.00 3.62 C ATOM 193 CD1 LEU A 14 140.335 3.195 -15.433 1.00 3.22 C ATOM 194 CD2 LEU A 14 140.867 3.532 -17.850 1.00 4.56 C ATOM 0 H LEU A 14 143.148 1.238 -18.125 1.00 3.06 H new ATOM 0 HA LEU A 14 143.921 1.192 -15.293 1.00 2.61 H new ATOM 0 HB2 LEU A 14 142.806 3.280 -15.443 1.00 3.24 H new ATOM 0 HB3 LEU A 14 143.175 3.045 -17.140 1.00 3.24 H new ATOM 0 HG LEU A 14 140.784 1.627 -16.841 1.00 3.62 H new ATOM 0 HD11 LEU A 14 139.270 3.200 -15.665 1.00 3.22 H new ATOM 0 HD12 LEU A 14 140.513 2.567 -14.560 1.00 3.22 H new ATOM 0 HD13 LEU A 14 140.665 4.212 -15.221 1.00 3.22 H new ATOM 0 HD21 LEU A 14 139.803 3.539 -18.085 1.00 4.56 H new ATOM 0 HD22 LEU A 14 141.197 4.548 -17.634 1.00 4.56 H new ATOM 0 HD23 LEU A 14 141.424 3.143 -18.702 1.00 4.56 H new ATOM 206 N SER A 15 141.522 -0.648 -16.031 1.00 2.94 N ATOM 207 CA SER A 15 140.355 -1.426 -15.521 1.00 3.29 C ATOM 208 C SER A 15 140.562 -1.819 -14.059 1.00 2.82 C ATOM 209 O SER A 15 139.625 -1.907 -13.291 1.00 3.10 O ATOM 210 CB SER A 15 140.283 -2.665 -16.411 1.00 4.06 C ATOM 211 OG SER A 15 139.427 -3.627 -15.809 1.00 4.72 O ATOM 0 H SER A 15 141.908 -0.977 -16.916 1.00 2.94 H new ATOM 0 HA SER A 15 139.433 -0.846 -15.555 1.00 3.29 H new ATOM 0 HB2 SER A 15 139.909 -2.396 -17.399 1.00 4.06 H new ATOM 0 HB3 SER A 15 141.279 -3.085 -16.551 1.00 4.06 H new ATOM 0 HG SER A 15 139.378 -4.423 -16.379 1.00 4.72 H new ATOM 217 N LYS A 16 141.783 -1.972 -13.651 1.00 2.31 N ATOM 218 CA LYS A 16 142.052 -2.259 -12.211 1.00 2.26 C ATOM 219 C LYS A 16 142.330 -0.961 -11.466 1.00 1.63 C ATOM 220 O LYS A 16 143.176 -0.899 -10.597 1.00 2.03 O ATOM 221 CB LYS A 16 143.291 -3.139 -12.180 1.00 2.52 C ATOM 222 CG LYS A 16 144.508 -2.342 -12.650 1.00 1.85 C ATOM 223 CD LYS A 16 145.767 -3.201 -12.502 1.00 2.17 C ATOM 224 CE LYS A 16 146.536 -2.775 -11.251 1.00 1.61 C ATOM 225 NZ LYS A 16 146.100 -3.728 -10.191 1.00 2.12 N ATOM 0 H LYS A 16 142.609 -1.912 -14.246 1.00 2.31 H new ATOM 0 HA LYS A 16 141.199 -2.745 -11.737 1.00 2.26 H new ATOM 0 HB2 LYS A 16 143.458 -3.512 -11.169 1.00 2.52 H new ATOM 0 HB3 LYS A 16 143.146 -4.009 -12.820 1.00 2.52 H new ATOM 0 HG2 LYS A 16 144.380 -2.041 -13.690 1.00 1.85 H new ATOM 0 HG3 LYS A 16 144.607 -1.428 -12.064 1.00 1.85 H new ATOM 0 HD2 LYS A 16 145.495 -4.254 -12.432 1.00 2.17 H new ATOM 0 HD3 LYS A 16 146.399 -3.093 -13.384 1.00 2.17 H new ATOM 0 HE2 LYS A 16 147.613 -2.828 -11.412 1.00 1.61 H new ATOM 0 HE3 LYS A 16 146.305 -1.746 -10.976 1.00 1.61 H new ATOM 0 HZ1 LYS A 16 145.735 -3.196 -9.375 1.00 2.12 H new ATOM 0 HZ2 LYS A 16 145.351 -4.345 -10.565 1.00 2.12 H new ATOM 0 HZ3 LYS A 16 146.909 -4.309 -9.892 1.00 2.12 H new ATOM 239 N VAL A 17 141.793 0.109 -11.954 1.00 1.17 N ATOM 240 CA VAL A 17 142.214 1.442 -11.445 1.00 1.04 C ATOM 241 C VAL A 17 141.039 2.431 -11.418 1.00 0.85 C ATOM 242 O VAL A 17 141.214 3.594 -11.725 1.00 1.06 O ATOM 243 CB VAL A 17 143.266 1.899 -12.456 1.00 1.54 C ATOM 244 CG1 VAL A 17 144.070 3.066 -11.881 1.00 2.21 C ATOM 245 CG2 VAL A 17 144.207 0.732 -12.771 1.00 1.72 C ATOM 0 H VAL A 17 141.080 0.125 -12.683 1.00 1.17 H new ATOM 0 HA VAL A 17 142.587 1.394 -10.422 1.00 1.04 H new ATOM 0 HB VAL A 17 142.769 2.226 -13.370 1.00 1.54 H new ATOM 0 HG11 VAL A 17 144.817 3.386 -12.607 1.00 2.21 H new ATOM 0 HG12 VAL A 17 143.399 3.897 -11.661 1.00 2.21 H new ATOM 0 HG13 VAL A 17 144.567 2.749 -10.964 1.00 2.21 H new ATOM 0 HG21 VAL A 17 144.958 1.055 -13.492 1.00 1.72 H new ATOM 0 HG22 VAL A 17 144.700 0.404 -11.855 1.00 1.72 H new ATOM 0 HG23 VAL A 17 143.634 -0.095 -13.190 1.00 1.72 H new ATOM 255 N PRO A 18 139.877 1.954 -11.037 1.00 0.82 N ATOM 256 CA PRO A 18 138.696 2.841 -10.963 1.00 0.91 C ATOM 257 C PRO A 18 138.747 3.692 -9.690 1.00 0.77 C ATOM 258 O PRO A 18 139.667 3.586 -8.906 1.00 0.95 O ATOM 259 CB PRO A 18 137.515 1.876 -10.941 1.00 1.38 C ATOM 260 CG PRO A 18 138.060 0.590 -10.400 1.00 1.51 C ATOM 261 CD PRO A 18 139.550 0.572 -10.657 1.00 1.13 C ATOM 0 HA PRO A 18 138.636 3.546 -11.792 1.00 0.91 H new ATOM 0 HB2 PRO A 18 136.709 2.256 -10.313 1.00 1.38 H new ATOM 0 HB3 PRO A 18 137.102 1.738 -11.940 1.00 1.38 H new ATOM 0 HG2 PRO A 18 137.856 0.508 -9.332 1.00 1.51 H new ATOM 0 HG3 PRO A 18 137.579 -0.261 -10.882 1.00 1.51 H new ATOM 0 HD2 PRO A 18 140.102 0.264 -9.769 1.00 1.13 H new ATOM 0 HD3 PRO A 18 139.807 -0.129 -11.451 1.00 1.13 H new ATOM 269 N LEU A 19 137.824 4.604 -9.528 1.00 0.73 N ATOM 270 CA LEU A 19 137.898 5.532 -8.360 1.00 0.85 C ATOM 271 C LEU A 19 136.509 5.729 -7.736 1.00 0.85 C ATOM 272 O LEU A 19 135.494 5.556 -8.382 1.00 1.15 O ATOM 273 CB LEU A 19 138.459 6.845 -8.935 1.00 1.08 C ATOM 274 CG LEU A 19 137.351 7.893 -9.101 1.00 1.17 C ATOM 275 CD1 LEU A 19 137.220 8.708 -7.812 1.00 1.50 C ATOM 276 CD2 LEU A 19 137.710 8.831 -10.256 1.00 1.57 C ATOM 0 H LEU A 19 137.027 4.746 -10.149 1.00 0.73 H new ATOM 0 HA LEU A 19 138.529 5.147 -7.559 1.00 0.85 H new ATOM 0 HB2 LEU A 19 139.235 7.233 -8.275 1.00 1.08 H new ATOM 0 HB3 LEU A 19 138.929 6.652 -9.899 1.00 1.08 H new ATOM 0 HG LEU A 19 136.407 7.392 -9.313 1.00 1.17 H new ATOM 0 HD11 LEU A 19 136.433 9.452 -7.931 1.00 1.50 H new ATOM 0 HD12 LEU A 19 136.969 8.043 -6.985 1.00 1.50 H new ATOM 0 HD13 LEU A 19 138.165 9.209 -7.601 1.00 1.50 H new ATOM 0 HD21 LEU A 19 136.924 9.577 -10.377 1.00 1.57 H new ATOM 0 HD22 LEU A 19 138.654 9.330 -10.039 1.00 1.57 H new ATOM 0 HD23 LEU A 19 137.807 8.255 -11.176 1.00 1.57 H new ATOM 288 N GLN A 20 136.465 5.984 -6.456 1.00 0.89 N ATOM 289 CA GLN A 20 135.155 6.073 -5.747 1.00 0.91 C ATOM 290 C GLN A 20 134.325 7.242 -6.283 1.00 0.87 C ATOM 291 O GLN A 20 134.847 8.284 -6.625 1.00 0.93 O ATOM 292 CB GLN A 20 135.520 6.303 -4.282 1.00 0.95 C ATOM 293 CG GLN A 20 134.296 6.052 -3.401 1.00 1.10 C ATOM 294 CD GLN A 20 133.826 4.609 -3.589 1.00 1.30 C ATOM 295 OE1 GLN A 20 134.547 3.788 -4.122 1.00 2.04 O ATOM 296 NE2 GLN A 20 132.642 4.260 -3.165 1.00 1.33 N ATOM 0 H GLN A 20 137.284 6.135 -5.868 1.00 0.89 H new ATOM 0 HA GLN A 20 134.552 5.176 -5.888 1.00 0.91 H new ATOM 0 HB2 GLN A 20 136.332 5.637 -3.991 1.00 0.95 H new ATOM 0 HB3 GLN A 20 135.878 7.323 -4.142 1.00 0.95 H new ATOM 0 HG2 GLN A 20 134.543 6.233 -2.355 1.00 1.10 H new ATOM 0 HG3 GLN A 20 133.496 6.744 -3.664 1.00 1.10 H new ATOM 0 HE21 GLN A 20 132.037 4.949 -2.718 1.00 1.33 H new ATOM 0 HE22 GLN A 20 132.322 3.299 -3.281 1.00 1.33 H new ATOM 305 N GLN A 21 133.029 7.091 -6.309 1.00 0.91 N ATOM 306 CA GLN A 21 132.150 8.203 -6.762 1.00 0.99 C ATOM 307 C GLN A 21 132.286 9.399 -5.822 1.00 1.04 C ATOM 308 O GLN A 21 133.334 9.656 -5.266 1.00 1.16 O ATOM 309 CB GLN A 21 130.731 7.630 -6.703 1.00 1.17 C ATOM 310 CG GLN A 21 130.612 6.451 -7.672 1.00 1.57 C ATOM 311 CD GLN A 21 130.300 6.966 -9.081 1.00 2.01 C ATOM 312 OE1 GLN A 21 130.463 8.232 -9.356 1.00 2.47 O flip ATOM 313 NE2 GLN A 21 129.901 6.206 -9.941 1.00 2.70 N flip ATOM 0 H GLN A 21 132.540 6.239 -6.034 1.00 0.91 H new ATOM 0 HA GLN A 21 132.407 8.556 -7.761 1.00 0.99 H new ATOM 0 HB2 GLN A 21 130.501 7.304 -5.688 1.00 1.17 H new ATOM 0 HB3 GLN A 21 130.006 8.401 -6.962 1.00 1.17 H new ATOM 0 HG2 GLN A 21 131.541 5.881 -7.681 1.00 1.57 H new ATOM 0 HG3 GLN A 21 129.825 5.774 -7.340 1.00 1.57 H new ATOM 0 HE21 GLN A 21 129.773 5.217 -9.728 1.00 2.70 H new ATOM 0 HE22 GLN A 21 129.694 6.557 -10.876 1.00 2.70 H new ATOM 322 N ASN A 22 131.242 10.158 -5.690 1.00 1.12 N ATOM 323 CA ASN A 22 131.302 11.387 -4.837 1.00 1.26 C ATOM 324 C ASN A 22 131.014 11.044 -3.370 1.00 1.15 C ATOM 325 O ASN A 22 130.429 11.823 -2.648 1.00 1.15 O ATOM 326 CB ASN A 22 130.218 12.326 -5.386 1.00 1.57 C ATOM 327 CG ASN A 22 128.950 11.540 -5.747 1.00 1.67 C ATOM 328 OD1 ASN A 22 128.624 10.475 -5.064 1.00 2.12 O flip ATOM 329 ND2 ASN A 22 128.243 11.904 -6.666 1.00 1.96 N flip ATOM 0 H ASN A 22 130.341 9.986 -6.136 1.00 1.12 H new ATOM 0 HA ASN A 22 132.290 11.845 -4.868 1.00 1.26 H new ATOM 0 HB2 ASN A 22 129.980 13.088 -4.644 1.00 1.57 H new ATOM 0 HB3 ASN A 22 130.593 12.846 -6.268 1.00 1.57 H new ATOM 0 HD21 ASN A 22 128.492 12.735 -7.203 1.00 1.96 H new ATOM 0 HD22 ASN A 22 127.401 11.379 -6.900 1.00 1.96 H new ATOM 336 N PHE A 23 131.405 9.877 -2.932 1.00 1.18 N ATOM 337 CA PHE A 23 131.128 9.469 -1.524 1.00 1.22 C ATOM 338 C PHE A 23 131.582 10.566 -0.551 1.00 1.11 C ATOM 339 O PHE A 23 132.374 11.417 -0.902 1.00 1.11 O ATOM 340 CB PHE A 23 131.955 8.198 -1.333 1.00 1.46 C ATOM 341 CG PHE A 23 131.277 7.311 -0.322 1.00 1.77 C ATOM 342 CD1 PHE A 23 131.243 7.685 1.026 1.00 2.09 C ATOM 343 CD2 PHE A 23 130.666 6.121 -0.736 1.00 1.95 C ATOM 344 CE1 PHE A 23 130.600 6.867 1.963 1.00 2.52 C ATOM 345 CE2 PHE A 23 130.020 5.304 0.200 1.00 2.40 C ATOM 346 CZ PHE A 23 129.987 5.677 1.550 1.00 2.67 C ATOM 0 H PHE A 23 131.906 9.186 -3.491 1.00 1.18 H new ATOM 0 HA PHE A 23 130.067 9.307 -1.332 1.00 1.22 H new ATOM 0 HB2 PHE A 23 132.060 7.673 -2.282 1.00 1.46 H new ATOM 0 HB3 PHE A 23 132.960 8.451 -0.996 1.00 1.46 H new ATOM 0 HD1 PHE A 23 131.713 8.604 1.344 1.00 2.09 H new ATOM 0 HD2 PHE A 23 130.693 5.833 -1.777 1.00 1.95 H new ATOM 0 HE1 PHE A 23 130.577 7.153 3.004 1.00 2.52 H new ATOM 0 HE2 PHE A 23 129.547 4.387 -0.119 1.00 2.40 H new ATOM 0 HZ PHE A 23 129.489 5.047 2.272 1.00 2.67 H new ATOM 356 N GLN A 24 130.975 10.650 0.609 1.00 1.09 N ATOM 357 CA GLN A 24 131.268 11.813 1.507 1.00 1.03 C ATOM 358 C GLN A 24 132.231 11.411 2.617 1.00 0.93 C ATOM 359 O GLN A 24 132.305 10.269 3.021 1.00 0.93 O ATOM 360 CB GLN A 24 129.944 12.244 2.144 1.00 1.11 C ATOM 361 CG GLN A 24 128.756 11.751 1.329 1.00 1.32 C ATOM 362 CD GLN A 24 128.951 12.096 -0.145 1.00 1.35 C ATOM 363 OE1 GLN A 24 128.822 11.153 -1.034 1.00 2.05 O flip ATOM 364 NE2 GLN A 24 129.225 13.228 -0.488 1.00 1.34 N flip ATOM 0 H GLN A 24 130.300 9.976 0.969 1.00 1.09 H new ATOM 0 HA GLN A 24 131.722 12.618 0.929 1.00 1.03 H new ATOM 0 HB2 GLN A 24 129.881 11.851 3.159 1.00 1.11 H new ATOM 0 HB3 GLN A 24 129.911 13.331 2.220 1.00 1.11 H new ATOM 0 HG2 GLN A 24 128.647 10.673 1.447 1.00 1.32 H new ATOM 0 HG3 GLN A 24 127.837 12.207 1.699 1.00 1.32 H new ATOM 0 HE21 GLN A 24 129.325 13.963 0.212 1.00 1.34 H new ATOM 0 HE22 GLN A 24 129.355 13.444 -1.476 1.00 1.34 H new ATOM 373 N ASP A 25 132.922 12.373 3.145 1.00 0.93 N ATOM 374 CA ASP A 25 133.860 12.107 4.277 1.00 0.87 C ATOM 375 C ASP A 25 133.087 11.849 5.564 1.00 0.78 C ATOM 376 O ASP A 25 133.566 11.194 6.469 1.00 0.72 O ATOM 377 CB ASP A 25 134.718 13.372 4.431 1.00 1.03 C ATOM 378 CG ASP A 25 133.884 14.624 4.137 1.00 0.96 C ATOM 379 OD1 ASP A 25 133.211 15.091 5.039 1.00 1.77 O ATOM 380 OD2 ASP A 25 133.937 15.094 3.012 1.00 1.63 O ATOM 0 H ASP A 25 132.881 13.346 2.842 1.00 0.93 H new ATOM 0 HA ASP A 25 134.471 11.226 4.079 1.00 0.87 H new ATOM 0 HB2 ASP A 25 135.120 13.425 5.443 1.00 1.03 H new ATOM 0 HB3 ASP A 25 135.569 13.327 3.751 1.00 1.03 H new ATOM 385 N ASN A 26 132.019 12.560 5.740 1.00 0.83 N ATOM 386 CA ASN A 26 131.358 12.588 7.073 1.00 0.84 C ATOM 387 C ASN A 26 130.825 11.201 7.442 1.00 0.82 C ATOM 388 O ASN A 26 130.664 10.883 8.603 1.00 0.83 O ATOM 389 CB ASN A 26 130.213 13.593 6.925 1.00 1.00 C ATOM 390 CG ASN A 26 129.027 12.930 6.218 1.00 1.19 C ATOM 391 OD1 ASN A 26 128.926 13.014 4.920 1.00 1.72 O flip ATOM 392 ND2 ASN A 26 128.183 12.332 6.856 1.00 1.61 N flip ATOM 0 H ASN A 26 131.570 13.126 5.020 1.00 0.83 H new ATOM 0 HA ASN A 26 132.048 12.872 7.868 1.00 0.84 H new ATOM 0 HB2 ASN A 26 129.906 13.956 7.906 1.00 1.00 H new ATOM 0 HB3 ASN A 26 130.549 14.460 6.356 1.00 1.00 H new ATOM 0 HD21 ASN A 26 128.262 12.266 7.871 1.00 1.61 H new ATOM 0 HD22 ASN A 26 127.395 11.896 6.377 1.00 1.61 H new ATOM 399 N GLN A 27 130.560 10.368 6.473 1.00 0.88 N ATOM 400 CA GLN A 27 130.049 9.007 6.795 1.00 0.96 C ATOM 401 C GLN A 27 131.081 7.945 6.420 1.00 0.89 C ATOM 402 O GLN A 27 130.989 6.801 6.820 1.00 1.01 O ATOM 403 CB GLN A 27 128.787 8.857 5.951 1.00 1.15 C ATOM 404 CG GLN A 27 128.436 7.378 5.833 1.00 1.32 C ATOM 405 CD GLN A 27 127.079 7.222 5.144 1.00 1.88 C ATOM 406 OE1 GLN A 27 126.301 8.154 5.088 1.00 2.26 O ATOM 407 NE2 GLN A 27 126.759 6.073 4.614 1.00 2.25 N ATOM 0 H GLN A 27 130.674 10.569 5.480 1.00 0.88 H new ATOM 0 HA GLN A 27 129.848 8.881 7.859 1.00 0.96 H new ATOM 0 HB2 GLN A 27 127.962 9.403 6.408 1.00 1.15 H new ATOM 0 HB3 GLN A 27 128.944 9.286 4.961 1.00 1.15 H new ATOM 0 HG2 GLN A 27 129.205 6.856 5.264 1.00 1.32 H new ATOM 0 HG3 GLN A 27 128.407 6.921 6.822 1.00 1.32 H new ATOM 0 HE21 GLN A 27 127.412 5.290 4.661 1.00 2.25 H new ATOM 0 HE22 GLN A 27 125.856 5.958 4.153 1.00 2.25 H new ATOM 416 N PHE A 28 132.021 8.302 5.603 1.00 0.80 N ATOM 417 CA PHE A 28 133.020 7.302 5.131 1.00 0.85 C ATOM 418 C PHE A 28 133.953 6.894 6.268 1.00 0.70 C ATOM 419 O PHE A 28 134.565 5.845 6.239 1.00 0.76 O ATOM 420 CB PHE A 28 133.805 8.005 4.026 1.00 0.98 C ATOM 421 CG PHE A 28 134.753 7.018 3.390 1.00 1.16 C ATOM 422 CD1 PHE A 28 136.044 6.848 3.906 1.00 1.17 C ATOM 423 CD2 PHE A 28 134.335 6.266 2.287 1.00 1.47 C ATOM 424 CE1 PHE A 28 136.917 5.925 3.316 1.00 1.37 C ATOM 425 CE2 PHE A 28 135.206 5.344 1.698 1.00 1.69 C ATOM 426 CZ PHE A 28 136.498 5.173 2.212 1.00 1.60 C ATOM 0 H PHE A 28 132.146 9.246 5.237 1.00 0.80 H new ATOM 0 HA PHE A 28 132.540 6.391 4.775 1.00 0.85 H new ATOM 0 HB2 PHE A 28 133.123 8.407 3.277 1.00 0.98 H new ATOM 0 HB3 PHE A 28 134.360 8.848 4.437 1.00 0.98 H new ATOM 0 HD1 PHE A 28 136.366 7.428 4.758 1.00 1.17 H new ATOM 0 HD2 PHE A 28 133.339 6.398 1.890 1.00 1.47 H new ATOM 0 HE1 PHE A 28 137.913 5.794 3.713 1.00 1.37 H new ATOM 0 HE2 PHE A 28 134.883 4.764 0.847 1.00 1.69 H new ATOM 0 HZ PHE A 28 137.171 4.461 1.757 1.00 1.60 H new ATOM 436 N GLN A 29 134.173 7.779 7.189 1.00 0.57 N ATOM 437 CA GLN A 29 135.195 7.519 8.245 1.00 0.49 C ATOM 438 C GLN A 29 134.837 6.257 9.039 1.00 0.56 C ATOM 439 O GLN A 29 133.721 6.096 9.492 1.00 1.00 O ATOM 440 CB GLN A 29 135.152 8.756 9.145 1.00 0.54 C ATOM 441 CG GLN A 29 133.762 8.896 9.769 1.00 1.15 C ATOM 442 CD GLN A 29 133.885 8.857 11.293 1.00 1.39 C ATOM 443 OE1 GLN A 29 134.676 7.980 11.848 1.00 1.75 O flip ATOM 444 NE2 GLN A 29 133.260 9.636 11.985 1.00 1.56 N flip ATOM 0 H GLN A 29 133.692 8.675 7.262 1.00 0.57 H new ATOM 0 HA GLN A 29 136.188 7.352 7.827 1.00 0.49 H new ATOM 0 HB2 GLN A 29 135.905 8.673 9.928 1.00 0.54 H new ATOM 0 HB3 GLN A 29 135.392 9.647 8.565 1.00 0.54 H new ATOM 0 HG2 GLN A 29 133.302 9.833 9.454 1.00 1.15 H new ATOM 0 HG3 GLN A 29 133.113 8.091 9.424 1.00 1.15 H new ATOM 0 HE21 GLN A 29 132.642 10.321 11.551 1.00 1.56 H new ATOM 0 HE22 GLN A 29 133.354 9.605 13.000 1.00 1.56 H new ATOM 453 N GLY A 30 135.731 5.303 9.092 1.00 0.46 N ATOM 454 CA GLY A 30 135.378 3.995 9.719 1.00 0.47 C ATOM 455 C GLY A 30 136.636 3.182 10.032 1.00 0.41 C ATOM 456 O GLY A 30 137.698 3.721 10.265 1.00 0.53 O ATOM 0 H GLY A 30 136.683 5.372 8.731 1.00 0.46 H new ATOM 0 HA2 GLY A 30 134.814 4.167 10.636 1.00 0.47 H new ATOM 0 HA3 GLY A 30 134.732 3.429 9.049 1.00 0.47 H new ATOM 460 N LYS A 31 136.492 1.888 10.131 1.00 0.38 N ATOM 461 CA LYS A 31 137.644 1.023 10.531 1.00 0.39 C ATOM 462 C LYS A 31 137.719 -0.215 9.632 1.00 0.38 C ATOM 463 O LYS A 31 136.879 -1.088 9.708 1.00 0.42 O ATOM 464 CB LYS A 31 137.328 0.600 11.964 1.00 0.53 C ATOM 465 CG LYS A 31 138.361 -0.427 12.436 1.00 0.60 C ATOM 466 CD LYS A 31 137.971 -0.938 13.824 1.00 0.76 C ATOM 467 CE LYS A 31 138.966 -2.008 14.274 1.00 1.12 C ATOM 468 NZ LYS A 31 138.527 -2.385 15.647 1.00 1.30 N ATOM 0 H LYS A 31 135.621 1.388 9.951 1.00 0.38 H new ATOM 0 HA LYS A 31 138.598 1.543 10.445 1.00 0.39 H new ATOM 0 HB2 LYS A 31 137.338 1.470 12.621 1.00 0.53 H new ATOM 0 HB3 LYS A 31 136.326 0.173 12.015 1.00 0.53 H new ATOM 0 HG2 LYS A 31 138.413 -1.257 11.732 1.00 0.60 H new ATOM 0 HG3 LYS A 31 139.352 0.026 12.468 1.00 0.60 H new ATOM 0 HD2 LYS A 31 137.961 -0.113 14.537 1.00 0.76 H new ATOM 0 HD3 LYS A 31 136.963 -1.351 13.801 1.00 0.76 H new ATOM 0 HE2 LYS A 31 138.951 -2.868 13.604 1.00 1.12 H new ATOM 0 HE3 LYS A 31 139.986 -1.623 14.277 1.00 1.12 H new ATOM 0 HZ1 LYS A 31 139.162 -3.117 16.026 1.00 1.30 H new ATOM 0 HZ2 LYS A 31 138.557 -1.548 16.263 1.00 1.30 H new ATOM 0 HZ3 LYS A 31 137.555 -2.754 15.612 1.00 1.30 H new ATOM 482 N TRP A 32 138.679 -0.288 8.744 1.00 0.37 N ATOM 483 CA TRP A 32 138.723 -1.457 7.807 1.00 0.38 C ATOM 484 C TRP A 32 139.693 -2.517 8.316 1.00 0.38 C ATOM 485 O TRP A 32 140.616 -2.233 9.054 1.00 0.39 O ATOM 486 CB TRP A 32 139.254 -0.945 6.467 1.00 0.39 C ATOM 487 CG TRP A 32 138.703 0.406 6.122 1.00 0.44 C ATOM 488 CD1 TRP A 32 139.316 1.297 5.310 1.00 0.87 C ATOM 489 CD2 TRP A 32 137.449 1.024 6.531 1.00 0.77 C ATOM 490 NE1 TRP A 32 138.518 2.419 5.192 1.00 0.77 N ATOM 491 CE2 TRP A 32 137.359 2.299 5.927 1.00 0.60 C ATOM 492 CE3 TRP A 32 136.393 0.610 7.358 1.00 1.53 C ATOM 493 CZ2 TRP A 32 136.260 3.128 6.134 1.00 0.95 C ATOM 494 CZ3 TRP A 32 135.288 1.442 7.570 1.00 2.00 C ATOM 495 CH2 TRP A 32 135.221 2.699 6.957 1.00 1.68 C ATOM 0 H TRP A 32 139.424 0.399 8.626 1.00 0.37 H new ATOM 0 HA TRP A 32 137.728 -1.894 7.720 1.00 0.38 H new ATOM 0 HB2 TRP A 32 140.342 -0.894 6.504 1.00 0.39 H new ATOM 0 HB3 TRP A 32 138.995 -1.654 5.680 1.00 0.39 H new ATOM 0 HD1 TRP A 32 140.274 1.155 4.831 1.00 0.87 H new ATOM 0 HE1 TRP A 32 138.758 3.236 4.630 1.00 0.77 H new ATOM 0 HE3 TRP A 32 136.434 -0.358 7.834 1.00 1.53 H new ATOM 0 HZ2 TRP A 32 136.213 4.097 5.660 1.00 0.95 H new ATOM 0 HZ3 TRP A 32 134.483 1.113 8.210 1.00 2.00 H new ATOM 0 HH2 TRP A 32 134.364 3.336 7.122 1.00 1.68 H new ATOM 506 N TYR A 33 139.575 -3.702 7.796 1.00 0.39 N ATOM 507 CA TYR A 33 140.575 -4.763 8.095 1.00 0.41 C ATOM 508 C TYR A 33 141.521 -4.928 6.903 1.00 0.39 C ATOM 509 O TYR A 33 141.092 -5.124 5.784 1.00 0.38 O ATOM 510 CB TYR A 33 139.733 -6.014 8.289 1.00 0.44 C ATOM 511 CG TYR A 33 139.332 -6.107 9.737 1.00 0.54 C ATOM 512 CD1 TYR A 33 138.838 -4.974 10.396 1.00 0.77 C ATOM 513 CD2 TYR A 33 139.464 -7.318 10.425 1.00 1.01 C ATOM 514 CE1 TYR A 33 138.472 -5.054 11.745 1.00 0.95 C ATOM 515 CE2 TYR A 33 139.099 -7.398 11.774 1.00 1.25 C ATOM 516 CZ TYR A 33 138.601 -6.267 12.434 1.00 1.09 C ATOM 517 OH TYR A 33 138.240 -6.347 13.763 1.00 1.38 O ATOM 0 H TYR A 33 138.821 -3.986 7.170 1.00 0.39 H new ATOM 0 HA TYR A 33 141.195 -4.541 8.964 1.00 0.41 H new ATOM 0 HB2 TYR A 33 138.848 -5.976 7.654 1.00 0.44 H new ATOM 0 HB3 TYR A 33 140.298 -6.899 7.996 1.00 0.44 H new ATOM 0 HD1 TYR A 33 138.740 -4.039 9.864 1.00 0.77 H new ATOM 0 HD2 TYR A 33 139.847 -8.190 9.916 1.00 1.01 H new ATOM 0 HE1 TYR A 33 138.091 -4.181 12.254 1.00 0.95 H new ATOM 0 HE2 TYR A 33 139.201 -8.332 12.306 1.00 1.25 H new ATOM 0 HH TYR A 33 137.275 -6.198 13.849 1.00 1.38 H new ATOM 527 N VAL A 34 142.798 -4.779 7.113 1.00 0.40 N ATOM 528 CA VAL A 34 143.745 -4.848 5.966 1.00 0.41 C ATOM 529 C VAL A 34 143.779 -6.271 5.404 1.00 0.39 C ATOM 530 O VAL A 34 143.878 -7.230 6.143 1.00 0.43 O ATOM 531 CB VAL A 34 145.094 -4.456 6.561 1.00 0.49 C ATOM 532 CG1 VAL A 34 146.124 -4.321 5.439 1.00 0.57 C ATOM 533 CG2 VAL A 34 144.945 -3.116 7.287 1.00 0.50 C ATOM 0 H VAL A 34 143.226 -4.613 8.024 1.00 0.40 H new ATOM 0 HA VAL A 34 143.463 -4.195 5.140 1.00 0.41 H new ATOM 0 HB VAL A 34 145.427 -5.220 7.264 1.00 0.49 H new ATOM 0 HG11 VAL A 34 147.089 -4.041 5.862 1.00 0.57 H new ATOM 0 HG12 VAL A 34 146.220 -5.273 4.916 1.00 0.57 H new ATOM 0 HG13 VAL A 34 145.799 -3.553 4.737 1.00 0.57 H new ATOM 0 HG21 VAL A 34 145.904 -2.826 7.716 1.00 0.50 H new ATOM 0 HG22 VAL A 34 144.619 -2.353 6.580 1.00 0.50 H new ATOM 0 HG23 VAL A 34 144.206 -3.213 8.082 1.00 0.50 H new ATOM 543 N VAL A 35 143.441 -6.422 4.151 1.00 0.36 N ATOM 544 CA VAL A 35 143.179 -7.796 3.620 1.00 0.38 C ATOM 545 C VAL A 35 144.048 -8.119 2.391 1.00 0.45 C ATOM 546 O VAL A 35 144.106 -9.253 1.957 1.00 0.63 O ATOM 547 CB VAL A 35 141.692 -7.788 3.252 1.00 0.42 C ATOM 548 CG1 VAL A 35 141.298 -9.131 2.634 1.00 0.47 C ATOM 549 CG2 VAL A 35 140.862 -7.551 4.517 1.00 0.47 C ATOM 0 H VAL A 35 143.335 -5.664 3.477 1.00 0.36 H new ATOM 0 HA VAL A 35 143.427 -8.562 4.354 1.00 0.38 H new ATOM 0 HB VAL A 35 141.505 -6.994 2.529 1.00 0.42 H new ATOM 0 HG11 VAL A 35 140.239 -9.116 2.376 1.00 0.47 H new ATOM 0 HG12 VAL A 35 141.889 -9.305 1.735 1.00 0.47 H new ATOM 0 HG13 VAL A 35 141.485 -9.930 3.351 1.00 0.47 H new ATOM 0 HG21 VAL A 35 139.802 -7.544 4.261 1.00 0.47 H new ATOM 0 HG22 VAL A 35 141.057 -8.348 5.235 1.00 0.47 H new ATOM 0 HG23 VAL A 35 141.135 -6.592 4.957 1.00 0.47 H new ATOM 559 N GLY A 36 144.835 -7.190 1.915 1.00 0.38 N ATOM 560 CA GLY A 36 145.805 -7.542 0.825 1.00 0.48 C ATOM 561 C GLY A 36 146.780 -6.385 0.594 1.00 0.41 C ATOM 562 O GLY A 36 146.566 -5.291 1.069 1.00 0.47 O ATOM 0 H GLY A 36 144.853 -6.218 2.224 1.00 0.38 H new ATOM 0 HA2 GLY A 36 146.356 -8.443 1.095 1.00 0.48 H new ATOM 0 HA3 GLY A 36 145.265 -7.762 -0.096 1.00 0.48 H new ATOM 566 N LEU A 37 147.911 -6.643 -0.026 1.00 0.46 N ATOM 567 CA LEU A 37 148.941 -5.572 -0.140 1.00 0.66 C ATOM 568 C LEU A 37 149.778 -5.749 -1.417 1.00 0.63 C ATOM 569 O LEU A 37 150.383 -6.776 -1.638 1.00 0.69 O ATOM 570 CB LEU A 37 149.801 -5.752 1.115 1.00 0.88 C ATOM 571 CG LEU A 37 151.107 -4.972 0.977 1.00 0.76 C ATOM 572 CD1 LEU A 37 152.071 -5.765 0.099 1.00 0.80 C ATOM 573 CD2 LEU A 37 150.828 -3.610 0.338 1.00 1.09 C ATOM 0 H LEU A 37 148.158 -7.537 -0.450 1.00 0.46 H new ATOM 0 HA LEU A 37 148.506 -4.575 -0.208 1.00 0.66 H new ATOM 0 HB2 LEU A 37 149.254 -5.407 1.992 1.00 0.88 H new ATOM 0 HB3 LEU A 37 150.015 -6.810 1.269 1.00 0.88 H new ATOM 0 HG LEU A 37 151.549 -4.819 1.961 1.00 0.76 H new ATOM 0 HD11 LEU A 37 153.006 -5.214 -0.004 1.00 0.80 H new ATOM 0 HD12 LEU A 37 152.269 -6.733 0.559 1.00 0.80 H new ATOM 0 HD13 LEU A 37 151.627 -5.915 -0.885 1.00 0.80 H new ATOM 0 HD21 LEU A 37 151.761 -3.056 0.241 1.00 1.09 H new ATOM 0 HD22 LEU A 37 150.387 -3.754 -0.648 1.00 1.09 H new ATOM 0 HD23 LEU A 37 150.136 -3.048 0.966 1.00 1.09 H new ATOM 585 N ALA A 38 149.820 -4.752 -2.258 1.00 0.57 N ATOM 586 CA ALA A 38 150.610 -4.870 -3.520 1.00 0.56 C ATOM 587 C ALA A 38 151.202 -3.508 -3.905 1.00 0.52 C ATOM 588 O ALA A 38 150.499 -2.525 -3.972 1.00 0.61 O ATOM 589 CB ALA A 38 149.590 -5.322 -4.568 1.00 0.60 C ATOM 0 H ALA A 38 149.342 -3.860 -2.127 1.00 0.57 H new ATOM 0 HA ALA A 38 151.446 -5.563 -3.426 1.00 0.56 H new ATOM 0 HB1 ALA A 38 150.085 -5.435 -5.532 1.00 0.60 H new ATOM 0 HB2 ALA A 38 149.158 -6.277 -4.268 1.00 0.60 H new ATOM 0 HB3 ALA A 38 148.799 -4.576 -4.651 1.00 0.60 H new ATOM 595 N GLY A 39 152.449 -3.462 -4.297 1.00 0.44 N ATOM 596 CA GLY A 39 152.997 -2.178 -4.827 1.00 0.43 C ATOM 597 C GLY A 39 154.380 -2.411 -5.441 1.00 0.46 C ATOM 598 O GLY A 39 154.950 -3.479 -5.334 1.00 0.49 O ATOM 0 H GLY A 39 153.103 -4.245 -4.274 1.00 0.44 H new ATOM 0 HA2 GLY A 39 152.322 -1.767 -5.578 1.00 0.43 H new ATOM 0 HA3 GLY A 39 153.066 -1.444 -4.024 1.00 0.43 H new ATOM 602 N ASN A 40 154.894 -1.429 -6.135 1.00 0.54 N ATOM 603 CA ASN A 40 156.212 -1.597 -6.823 1.00 0.70 C ATOM 604 C ASN A 40 157.360 -1.492 -5.818 1.00 0.77 C ATOM 605 O ASN A 40 158.444 -1.991 -6.043 1.00 0.92 O ATOM 606 CB ASN A 40 156.283 -0.438 -7.819 1.00 0.79 C ATOM 607 CG ASN A 40 156.388 0.884 -7.053 1.00 0.80 C ATOM 608 OD1 ASN A 40 155.843 1.019 -5.975 1.00 0.77 O ATOM 609 ND2 ASN A 40 157.075 1.871 -7.563 1.00 0.92 N ATOM 0 H ASN A 40 154.458 -0.515 -6.256 1.00 0.54 H new ATOM 0 HA ASN A 40 156.299 -2.570 -7.306 1.00 0.70 H new ATOM 0 HB2 ASN A 40 157.144 -0.560 -8.476 1.00 0.79 H new ATOM 0 HB3 ASN A 40 155.397 -0.434 -8.453 1.00 0.79 H new ATOM 0 HD21 ASN A 40 157.153 2.753 -7.057 1.00 0.92 H new ATOM 0 HD22 ASN A 40 157.533 1.760 -8.468 1.00 0.92 H new ATOM 616 N ALA A 41 157.140 -0.809 -4.732 1.00 0.74 N ATOM 617 CA ALA A 41 158.227 -0.624 -3.731 1.00 0.89 C ATOM 618 C ALA A 41 157.912 -1.439 -2.482 1.00 0.87 C ATOM 619 O ALA A 41 158.365 -1.138 -1.395 1.00 1.01 O ATOM 620 CB ALA A 41 158.218 0.871 -3.418 1.00 1.04 C ATOM 0 H ALA A 41 156.252 -0.369 -4.493 1.00 0.74 H new ATOM 0 HA ALA A 41 159.200 -0.954 -4.095 1.00 0.89 H new ATOM 0 HB1 ALA A 41 158.993 1.094 -2.685 1.00 1.04 H new ATOM 0 HB2 ALA A 41 158.409 1.435 -4.331 1.00 1.04 H new ATOM 0 HB3 ALA A 41 157.245 1.152 -3.015 1.00 1.04 H new ATOM 626 N ILE A 42 157.054 -2.407 -2.617 1.00 0.75 N ATOM 627 CA ILE A 42 156.602 -3.178 -1.430 1.00 0.81 C ATOM 628 C ILE A 42 157.420 -4.463 -1.289 1.00 0.88 C ATOM 629 O ILE A 42 157.734 -5.118 -2.261 1.00 0.94 O ATOM 630 CB ILE A 42 155.140 -3.500 -1.718 1.00 0.71 C ATOM 631 CG1 ILE A 42 154.339 -2.197 -1.820 1.00 0.80 C ATOM 632 CG2 ILE A 42 154.580 -4.371 -0.594 1.00 0.84 C ATOM 633 CD1 ILE A 42 152.846 -2.493 -1.669 1.00 1.09 C ATOM 0 H ILE A 42 156.644 -2.699 -3.504 1.00 0.75 H new ATOM 0 HA ILE A 42 156.727 -2.625 -0.499 1.00 0.81 H new ATOM 0 HB ILE A 42 155.063 -4.040 -2.661 1.00 0.71 H new ATOM 0 HG12 ILE A 42 154.661 -1.500 -1.046 1.00 0.80 H new ATOM 0 HG13 ILE A 42 154.529 -1.717 -2.780 1.00 0.80 H new ATOM 0 HG21 ILE A 42 153.535 -4.602 -0.799 1.00 0.84 H new ATOM 0 HG22 ILE A 42 155.151 -5.298 -0.533 1.00 0.84 H new ATOM 0 HG23 ILE A 42 154.655 -3.836 0.353 1.00 0.84 H new ATOM 0 HD11 ILE A 42 152.282 -1.563 -1.742 1.00 1.09 H new ATOM 0 HD12 ILE A 42 152.528 -3.174 -2.459 1.00 1.09 H new ATOM 0 HD13 ILE A 42 152.663 -2.953 -0.698 1.00 1.09 H new ATOM 645 N LEU A 43 157.820 -4.798 -0.094 1.00 1.12 N ATOM 646 CA LEU A 43 158.679 -6.004 0.090 1.00 1.26 C ATOM 647 C LEU A 43 157.835 -7.212 0.502 1.00 1.28 C ATOM 648 O LEU A 43 157.665 -7.484 1.674 1.00 1.63 O ATOM 649 CB LEU A 43 159.644 -5.629 1.215 1.00 1.75 C ATOM 650 CG LEU A 43 160.632 -4.576 0.714 1.00 2.04 C ATOM 651 CD1 LEU A 43 161.347 -3.941 1.907 1.00 2.41 C ATOM 652 CD2 LEU A 43 161.664 -5.243 -0.199 1.00 2.60 C ATOM 0 H LEU A 43 157.591 -4.292 0.761 1.00 1.12 H new ATOM 0 HA LEU A 43 159.196 -6.279 -0.829 1.00 1.26 H new ATOM 0 HB2 LEU A 43 159.089 -5.244 2.070 1.00 1.75 H new ATOM 0 HB3 LEU A 43 160.182 -6.514 1.556 1.00 1.75 H new ATOM 0 HG LEU A 43 160.095 -3.807 0.159 1.00 2.04 H new ATOM 0 HD11 LEU A 43 162.052 -3.190 1.551 1.00 2.41 H new ATOM 0 HD12 LEU A 43 160.614 -3.469 2.562 1.00 2.41 H new ATOM 0 HD13 LEU A 43 161.885 -4.711 2.460 1.00 2.41 H new ATOM 0 HD21 LEU A 43 162.370 -4.494 -0.558 1.00 2.60 H new ATOM 0 HD22 LEU A 43 162.201 -6.010 0.359 1.00 2.60 H new ATOM 0 HD23 LEU A 43 161.157 -5.700 -1.049 1.00 2.60 H new ATOM 664 N ARG A 44 157.435 -8.021 -0.440 1.00 1.13 N ATOM 665 CA ARG A 44 156.762 -9.297 -0.070 1.00 1.39 C ATOM 666 C ARG A 44 157.765 -10.450 -0.148 1.00 1.47 C ATOM 667 O ARG A 44 158.110 -10.911 -1.218 1.00 1.88 O ATOM 668 CB ARG A 44 155.656 -9.479 -1.110 1.00 1.60 C ATOM 669 CG ARG A 44 154.858 -10.745 -0.792 1.00 2.31 C ATOM 670 CD ARG A 44 154.634 -11.540 -2.080 1.00 2.87 C ATOM 671 NE ARG A 44 155.682 -12.598 -2.053 1.00 3.73 N ATOM 672 CZ ARG A 44 156.137 -13.110 -3.165 1.00 4.42 C ATOM 673 NH1 ARG A 44 155.669 -12.710 -4.317 1.00 4.90 N ATOM 674 NH2 ARG A 44 157.062 -14.029 -3.123 1.00 4.91 N ATOM 0 H ARG A 44 157.544 -7.856 -1.441 1.00 1.13 H new ATOM 0 HA ARG A 44 156.364 -9.281 0.945 1.00 1.39 H new ATOM 0 HB2 ARG A 44 154.996 -8.611 -1.110 1.00 1.60 H new ATOM 0 HB3 ARG A 44 156.089 -9.551 -2.108 1.00 1.60 H new ATOM 0 HG2 ARG A 44 155.395 -11.354 -0.064 1.00 2.31 H new ATOM 0 HG3 ARG A 44 153.900 -10.482 -0.343 1.00 2.31 H new ATOM 0 HD2 ARG A 44 153.634 -11.973 -2.110 1.00 2.87 H new ATOM 0 HD3 ARG A 44 154.734 -10.905 -2.961 1.00 2.87 H new ATOM 0 HE ARG A 44 156.047 -12.925 -1.159 1.00 3.73 H new ATOM 0 HH11 ARG A 44 154.944 -11.994 -4.352 1.00 4.90 H new ATOM 0 HH12 ARG A 44 156.029 -13.114 -5.182 1.00 4.90 H new ATOM 0 HH21 ARG A 44 157.427 -14.345 -2.224 1.00 4.91 H new ATOM 0 HH22 ARG A 44 157.420 -14.432 -3.989 1.00 4.91 H new ATOM 688 N GLU A 45 158.214 -10.941 0.975 1.00 1.83 N ATOM 689 CA GLU A 45 159.167 -12.087 0.952 1.00 2.14 C ATOM 690 C GLU A 45 158.507 -13.332 1.541 1.00 2.57 C ATOM 691 O GLU A 45 157.910 -13.290 2.598 1.00 3.23 O ATOM 692 CB GLU A 45 160.354 -11.655 1.815 1.00 2.63 C ATOM 693 CG GLU A 45 161.235 -10.681 1.029 1.00 2.87 C ATOM 694 CD GLU A 45 162.570 -10.500 1.756 1.00 2.88 C ATOM 695 OE1 GLU A 45 162.802 -11.217 2.716 1.00 3.21 O ATOM 696 OE2 GLU A 45 163.338 -9.650 1.338 1.00 3.14 O ATOM 0 H GLU A 45 157.964 -10.600 1.903 1.00 1.83 H new ATOM 0 HA GLU A 45 159.478 -12.335 -0.063 1.00 2.14 H new ATOM 0 HB2 GLU A 45 159.998 -11.181 2.730 1.00 2.63 H new ATOM 0 HB3 GLU A 45 160.936 -12.527 2.113 1.00 2.63 H new ATOM 0 HG2 GLU A 45 161.406 -11.060 0.022 1.00 2.87 H new ATOM 0 HG3 GLU A 45 160.731 -9.720 0.927 1.00 2.87 H new ATOM 703 N ASP A 46 158.672 -14.454 0.901 1.00 2.77 N ATOM 704 CA ASP A 46 158.124 -15.716 1.465 1.00 3.49 C ATOM 705 C ASP A 46 158.751 -15.972 2.837 1.00 3.64 C ATOM 706 O ASP A 46 158.091 -16.387 3.768 1.00 4.12 O ATOM 707 CB ASP A 46 158.530 -16.803 0.468 1.00 4.21 C ATOM 708 CG ASP A 46 157.748 -18.085 0.759 1.00 4.49 C ATOM 709 OD1 ASP A 46 157.233 -18.206 1.858 1.00 4.72 O ATOM 710 OD2 ASP A 46 157.675 -18.924 -0.124 1.00 4.87 O ATOM 0 H ASP A 46 159.163 -14.552 0.012 1.00 2.77 H new ATOM 0 HA ASP A 46 157.043 -15.686 1.604 1.00 3.49 H new ATOM 0 HB2 ASP A 46 158.333 -16.468 -0.550 1.00 4.21 H new ATOM 0 HB3 ASP A 46 159.601 -16.994 0.539 1.00 4.21 H new ATOM 715 N LYS A 47 160.022 -15.709 2.967 1.00 3.77 N ATOM 716 CA LYS A 47 160.702 -15.912 4.278 1.00 4.40 C ATOM 717 C LYS A 47 160.086 -15.011 5.344 1.00 4.21 C ATOM 718 O LYS A 47 159.972 -15.374 6.497 1.00 4.88 O ATOM 719 CB LYS A 47 162.156 -15.522 4.028 1.00 5.10 C ATOM 720 CG LYS A 47 162.787 -16.503 3.039 1.00 5.77 C ATOM 721 CD LYS A 47 164.244 -16.107 2.791 1.00 6.65 C ATOM 722 CE LYS A 47 164.297 -14.692 2.208 1.00 7.33 C ATOM 723 NZ LYS A 47 165.746 -14.406 2.004 1.00 7.58 N ATOM 0 H LYS A 47 160.622 -15.361 2.219 1.00 3.77 H new ATOM 0 HA LYS A 47 160.605 -16.936 4.637 1.00 4.40 H new ATOM 0 HB2 LYS A 47 162.208 -14.507 3.633 1.00 5.10 H new ATOM 0 HB3 LYS A 47 162.711 -15.528 4.966 1.00 5.10 H new ATOM 0 HG2 LYS A 47 162.736 -17.518 3.434 1.00 5.77 H new ATOM 0 HG3 LYS A 47 162.232 -16.498 2.101 1.00 5.77 H new ATOM 0 HD2 LYS A 47 164.807 -16.149 3.723 1.00 6.65 H new ATOM 0 HD3 LYS A 47 164.712 -16.812 2.104 1.00 6.65 H new ATOM 0 HE2 LYS A 47 163.748 -14.633 1.268 1.00 7.33 H new ATOM 0 HE3 LYS A 47 163.845 -13.969 2.887 1.00 7.33 H new ATOM 0 HZ1 LYS A 47 165.859 -13.452 1.606 1.00 7.58 H new ATOM 0 HZ2 LYS A 47 166.243 -14.462 2.916 1.00 7.58 H new ATOM 0 HZ3 LYS A 47 166.149 -15.105 1.347 1.00 7.58 H new ATOM 737 N ASP A 48 159.775 -13.807 4.978 1.00 3.61 N ATOM 738 CA ASP A 48 159.261 -12.828 5.980 1.00 3.74 C ATOM 739 C ASP A 48 157.927 -12.235 5.513 1.00 3.23 C ATOM 740 O ASP A 48 157.883 -11.152 4.963 1.00 3.17 O ATOM 741 CB ASP A 48 160.336 -11.741 6.062 1.00 4.20 C ATOM 742 CG ASP A 48 160.098 -10.874 7.301 1.00 4.35 C ATOM 743 OD1 ASP A 48 159.261 -9.989 7.229 1.00 4.74 O ATOM 744 OD2 ASP A 48 160.759 -11.109 8.300 1.00 4.56 O ATOM 0 H ASP A 48 159.853 -13.451 4.025 1.00 3.61 H new ATOM 0 HA ASP A 48 159.076 -13.291 6.949 1.00 3.74 H new ATOM 0 HB2 ASP A 48 161.325 -12.197 6.109 1.00 4.20 H new ATOM 0 HB3 ASP A 48 160.312 -11.124 5.164 1.00 4.20 H new ATOM 749 N PRO A 49 156.881 -12.977 5.758 1.00 3.53 N ATOM 750 CA PRO A 49 155.513 -12.539 5.374 1.00 3.68 C ATOM 751 C PRO A 49 155.059 -11.365 6.249 1.00 3.41 C ATOM 752 O PRO A 49 155.474 -11.230 7.383 1.00 3.75 O ATOM 753 CB PRO A 49 154.656 -13.776 5.637 1.00 4.66 C ATOM 754 CG PRO A 49 155.415 -14.557 6.660 1.00 4.97 C ATOM 755 CD PRO A 49 156.875 -14.288 6.414 1.00 4.38 C ATOM 0 HA PRO A 49 155.448 -12.191 4.343 1.00 3.68 H new ATOM 0 HB2 PRO A 49 153.667 -13.501 6.003 1.00 4.66 H new ATOM 0 HB3 PRO A 49 154.509 -14.356 4.726 1.00 4.66 H new ATOM 0 HG2 PRO A 49 155.130 -14.254 7.668 1.00 4.97 H new ATOM 0 HG3 PRO A 49 155.198 -15.622 6.574 1.00 4.97 H new ATOM 0 HD2 PRO A 49 157.442 -14.273 7.345 1.00 4.38 H new ATOM 0 HD3 PRO A 49 157.322 -15.054 5.781 1.00 4.38 H new ATOM 763 N GLN A 50 154.229 -10.504 5.725 1.00 3.27 N ATOM 764 CA GLN A 50 153.773 -9.330 6.524 1.00 3.31 C ATOM 765 C GLN A 50 152.485 -9.669 7.279 1.00 2.59 C ATOM 766 O GLN A 50 151.475 -9.989 6.685 1.00 2.98 O ATOM 767 CB GLN A 50 153.505 -8.225 5.500 1.00 4.25 C ATOM 768 CG GLN A 50 153.065 -6.953 6.230 1.00 5.07 C ATOM 769 CD GLN A 50 152.745 -5.855 5.213 1.00 6.23 C ATOM 770 OE1 GLN A 50 151.645 -5.786 4.702 1.00 6.66 O ATOM 771 NE2 GLN A 50 153.665 -4.984 4.898 1.00 6.99 N ATOM 0 H GLN A 50 153.848 -10.562 4.781 1.00 3.27 H new ATOM 0 HA GLN A 50 154.514 -9.031 7.266 1.00 3.31 H new ATOM 0 HB2 GLN A 50 154.404 -8.030 4.915 1.00 4.25 H new ATOM 0 HB3 GLN A 50 152.732 -8.542 4.800 1.00 4.25 H new ATOM 0 HG2 GLN A 50 152.188 -7.160 6.843 1.00 5.07 H new ATOM 0 HG3 GLN A 50 153.854 -6.618 6.904 1.00 5.07 H new ATOM 0 HE21 GLN A 50 154.589 -5.041 5.326 1.00 6.99 H new ATOM 0 HE22 GLN A 50 153.460 -4.247 4.224 1.00 6.99 H new ATOM 780 N LYS A 51 152.477 -9.490 8.572 1.00 2.19 N ATOM 781 CA LYS A 51 151.211 -9.679 9.338 1.00 2.10 C ATOM 782 C LYS A 51 150.229 -8.562 8.977 1.00 1.72 C ATOM 783 O LYS A 51 150.614 -7.422 8.806 1.00 1.96 O ATOM 784 CB LYS A 51 151.614 -9.570 10.810 1.00 2.73 C ATOM 785 CG LYS A 51 152.628 -10.663 11.155 1.00 3.27 C ATOM 786 CD LYS A 51 153.031 -10.531 12.625 1.00 4.21 C ATOM 787 CE LYS A 51 154.093 -11.580 12.964 1.00 4.97 C ATOM 788 NZ LYS A 51 153.368 -12.880 12.954 1.00 5.44 N ATOM 0 H LYS A 51 153.288 -9.222 9.129 1.00 2.19 H new ATOM 0 HA LYS A 51 150.728 -10.631 9.120 1.00 2.10 H new ATOM 0 HB2 LYS A 51 152.044 -8.588 11.007 1.00 2.73 H new ATOM 0 HB3 LYS A 51 150.733 -9.665 11.445 1.00 2.73 H new ATOM 0 HG2 LYS A 51 152.197 -11.647 10.971 1.00 3.27 H new ATOM 0 HG3 LYS A 51 153.506 -10.575 10.516 1.00 3.27 H new ATOM 0 HD2 LYS A 51 153.419 -9.531 12.817 1.00 4.21 H new ATOM 0 HD3 LYS A 51 152.158 -10.663 13.265 1.00 4.21 H new ATOM 0 HE2 LYS A 51 154.902 -11.573 12.233 1.00 4.97 H new ATOM 0 HE3 LYS A 51 154.542 -11.386 13.938 1.00 4.97 H new ATOM 0 HZ1 LYS A 51 153.886 -13.571 13.533 1.00 5.44 H new ATOM 0 HZ2 LYS A 51 152.413 -12.748 13.345 1.00 5.44 H new ATOM 0 HZ3 LYS A 51 153.297 -13.230 11.977 1.00 5.44 H new ATOM 802 N MET A 52 148.970 -8.872 8.842 1.00 1.62 N ATOM 803 CA MET A 52 147.990 -7.812 8.467 1.00 1.23 C ATOM 804 C MET A 52 147.656 -6.954 9.689 1.00 1.03 C ATOM 805 O MET A 52 147.642 -7.430 10.807 1.00 1.16 O ATOM 806 CB MET A 52 146.747 -8.564 7.980 1.00 1.28 C ATOM 807 CG MET A 52 145.920 -9.048 9.177 1.00 2.46 C ATOM 808 SD MET A 52 144.302 -9.626 8.607 1.00 2.89 S ATOM 809 CE MET A 52 143.458 -8.026 8.598 1.00 1.95 C ATOM 0 H MET A 52 148.578 -9.805 8.973 1.00 1.62 H new ATOM 0 HA MET A 52 148.380 -7.142 7.701 1.00 1.23 H new ATOM 0 HB2 MET A 52 146.142 -7.912 7.350 1.00 1.28 H new ATOM 0 HB3 MET A 52 147.044 -9.414 7.366 1.00 1.28 H new ATOM 0 HG2 MET A 52 146.444 -9.853 9.692 1.00 2.46 H new ATOM 0 HG3 MET A 52 145.795 -8.238 9.896 1.00 2.46 H new ATOM 0 HE1 MET A 52 142.664 -8.038 7.851 1.00 1.95 H new ATOM 0 HE2 MET A 52 143.028 -7.836 9.581 1.00 1.95 H new ATOM 0 HE3 MET A 52 144.172 -7.239 8.356 1.00 1.95 H new ATOM 819 N TYR A 53 147.294 -5.723 9.477 1.00 0.79 N ATOM 820 CA TYR A 53 146.854 -4.877 10.618 1.00 0.63 C ATOM 821 C TYR A 53 145.531 -4.199 10.283 1.00 0.52 C ATOM 822 O TYR A 53 144.802 -4.630 9.411 1.00 0.54 O ATOM 823 CB TYR A 53 147.955 -3.834 10.807 1.00 0.56 C ATOM 824 CG TYR A 53 148.288 -3.198 9.481 1.00 0.59 C ATOM 825 CD1 TYR A 53 147.492 -2.157 8.988 1.00 0.55 C ATOM 826 CD2 TYR A 53 149.394 -3.643 8.747 1.00 0.75 C ATOM 827 CE1 TYR A 53 147.801 -1.561 7.760 1.00 0.71 C ATOM 828 CE2 TYR A 53 149.703 -3.047 7.518 1.00 0.88 C ATOM 829 CZ TYR A 53 148.906 -2.006 7.025 1.00 0.87 C ATOM 830 OH TYR A 53 149.210 -1.419 5.814 1.00 1.06 O ATOM 0 H TYR A 53 147.283 -5.266 8.565 1.00 0.79 H new ATOM 0 HA TYR A 53 146.699 -5.463 11.524 1.00 0.63 H new ATOM 0 HB2 TYR A 53 147.629 -3.072 11.515 1.00 0.56 H new ATOM 0 HB3 TYR A 53 148.844 -4.302 11.230 1.00 0.56 H new ATOM 0 HD1 TYR A 53 146.639 -1.814 9.555 1.00 0.55 H new ATOM 0 HD2 TYR A 53 150.008 -4.445 9.128 1.00 0.75 H new ATOM 0 HE1 TYR A 53 147.187 -0.758 7.380 1.00 0.71 H new ATOM 0 HE2 TYR A 53 150.556 -3.390 6.951 1.00 0.88 H new ATOM 0 HH TYR A 53 150.007 -1.845 5.435 1.00 1.06 H new ATOM 840 N ALA A 54 145.200 -3.165 10.993 1.00 0.44 N ATOM 841 CA ALA A 54 143.903 -2.487 10.745 1.00 0.37 C ATOM 842 C ALA A 54 144.093 -0.972 10.716 1.00 0.33 C ATOM 843 O ALA A 54 145.011 -0.435 11.303 1.00 0.35 O ATOM 844 CB ALA A 54 143.013 -2.903 11.913 1.00 0.42 C ATOM 0 H ALA A 54 145.770 -2.759 11.735 1.00 0.44 H new ATOM 0 HA ALA A 54 143.467 -2.763 9.785 1.00 0.37 H new ATOM 0 HB1 ALA A 54 142.031 -2.442 11.805 1.00 0.42 H new ATOM 0 HB2 ALA A 54 142.906 -3.988 11.920 1.00 0.42 H new ATOM 0 HB3 ALA A 54 143.466 -2.577 12.849 1.00 0.42 H new ATOM 850 N THR A 55 143.228 -0.273 10.041 1.00 0.31 N ATOM 851 CA THR A 55 143.366 1.209 9.982 1.00 0.29 C ATOM 852 C THR A 55 141.987 1.869 10.001 1.00 0.28 C ATOM 853 O THR A 55 141.069 1.443 9.330 1.00 0.31 O ATOM 854 CB THR A 55 144.094 1.480 8.666 1.00 0.31 C ATOM 855 OG1 THR A 55 145.465 1.135 8.809 1.00 0.35 O ATOM 856 CG2 THR A 55 143.976 2.961 8.295 1.00 0.37 C ATOM 0 H THR A 55 142.435 -0.659 9.529 1.00 0.31 H new ATOM 0 HA THR A 55 143.912 1.615 10.834 1.00 0.29 H new ATOM 0 HB THR A 55 143.642 0.880 7.876 1.00 0.31 H new ATOM 0 HG1 THR A 55 145.935 1.306 7.966 1.00 0.35 H new ATOM 0 HG21 THR A 55 144.498 3.144 7.356 1.00 0.37 H new ATOM 0 HG22 THR A 55 142.924 3.225 8.183 1.00 0.37 H new ATOM 0 HG23 THR A 55 144.421 3.570 9.082 1.00 0.37 H new ATOM 864 N ILE A 56 141.829 2.878 10.809 1.00 0.29 N ATOM 865 CA ILE A 56 140.501 3.539 10.935 1.00 0.30 C ATOM 866 C ILE A 56 140.539 4.935 10.318 1.00 0.29 C ATOM 867 O ILE A 56 141.438 5.713 10.569 1.00 0.31 O ATOM 868 CB ILE A 56 140.246 3.617 12.439 1.00 0.33 C ATOM 869 CG1 ILE A 56 140.126 2.201 12.999 1.00 0.40 C ATOM 870 CG2 ILE A 56 138.945 4.377 12.701 1.00 0.37 C ATOM 871 CD1 ILE A 56 140.290 2.233 14.518 1.00 0.48 C ATOM 0 H ILE A 56 142.566 3.276 11.391 1.00 0.29 H new ATOM 0 HA ILE A 56 139.714 2.992 10.415 1.00 0.30 H new ATOM 0 HB ILE A 56 141.072 4.138 12.923 1.00 0.33 H new ATOM 0 HG12 ILE A 56 139.157 1.777 12.737 1.00 0.40 H new ATOM 0 HG13 ILE A 56 140.886 1.558 12.555 1.00 0.40 H new ATOM 0 HG21 ILE A 56 138.765 4.431 13.775 1.00 0.37 H new ATOM 0 HG22 ILE A 56 139.025 5.385 12.295 1.00 0.37 H new ATOM 0 HG23 ILE A 56 138.117 3.857 12.220 1.00 0.37 H new ATOM 0 HD11 ILE A 56 140.204 1.221 14.915 1.00 0.48 H new ATOM 0 HD12 ILE A 56 141.270 2.639 14.770 1.00 0.48 H new ATOM 0 HD13 ILE A 56 139.514 2.861 14.955 1.00 0.48 H new ATOM 883 N TYR A 57 139.581 5.247 9.491 1.00 0.34 N ATOM 884 CA TYR A 57 139.575 6.579 8.826 1.00 0.35 C ATOM 885 C TYR A 57 138.612 7.512 9.559 1.00 0.34 C ATOM 886 O TYR A 57 137.422 7.276 9.616 1.00 0.39 O ATOM 887 CB TYR A 57 139.093 6.294 7.404 1.00 0.41 C ATOM 888 CG TYR A 57 140.145 5.480 6.693 1.00 0.50 C ATOM 889 CD1 TYR A 57 140.214 4.096 6.901 1.00 0.59 C ATOM 890 CD2 TYR A 57 141.062 6.107 5.839 1.00 0.72 C ATOM 891 CE1 TYR A 57 141.200 3.339 6.257 1.00 0.77 C ATOM 892 CE2 TYR A 57 142.048 5.349 5.192 1.00 0.86 C ATOM 893 CZ TYR A 57 142.117 3.965 5.402 1.00 0.86 C ATOM 894 OH TYR A 57 143.089 3.218 4.767 1.00 1.05 O ATOM 0 H TYR A 57 138.801 4.636 9.247 1.00 0.34 H new ATOM 0 HA TYR A 57 140.550 7.066 8.830 1.00 0.35 H new ATOM 0 HB2 TYR A 57 138.147 5.753 7.427 1.00 0.41 H new ATOM 0 HB3 TYR A 57 138.913 7.228 6.871 1.00 0.41 H new ATOM 0 HD1 TYR A 57 139.506 3.613 7.558 1.00 0.59 H new ATOM 0 HD2 TYR A 57 141.009 7.174 5.679 1.00 0.72 H new ATOM 0 HE1 TYR A 57 141.254 2.273 6.419 1.00 0.77 H new ATOM 0 HE2 TYR A 57 142.754 5.831 4.532 1.00 0.86 H new ATOM 0 HH TYR A 57 143.641 3.806 4.210 1.00 1.05 H new ATOM 904 N GLU A 58 139.132 8.533 10.178 1.00 0.32 N ATOM 905 CA GLU A 58 138.271 9.440 10.976 1.00 0.34 C ATOM 906 C GLU A 58 138.346 10.852 10.405 1.00 0.34 C ATOM 907 O GLU A 58 139.375 11.496 10.447 1.00 0.36 O ATOM 908 CB GLU A 58 138.859 9.395 12.387 1.00 0.38 C ATOM 909 CG GLU A 58 138.048 10.300 13.315 1.00 0.45 C ATOM 910 CD GLU A 58 138.644 10.248 14.723 1.00 0.75 C ATOM 911 OE1 GLU A 58 139.509 9.417 14.948 1.00 1.38 O ATOM 912 OE2 GLU A 58 138.230 11.042 15.551 1.00 1.40 O ATOM 0 H GLU A 58 140.122 8.778 10.164 1.00 0.32 H new ATOM 0 HA GLU A 58 137.222 9.145 10.965 1.00 0.34 H new ATOM 0 HB2 GLU A 58 138.850 8.372 12.762 1.00 0.38 H new ATOM 0 HB3 GLU A 58 139.900 9.718 12.368 1.00 0.38 H new ATOM 0 HG2 GLU A 58 138.057 11.324 12.942 1.00 0.45 H new ATOM 0 HG3 GLU A 58 137.007 9.978 13.337 1.00 0.45 H new ATOM 919 N LEU A 59 137.267 11.340 9.867 1.00 0.38 N ATOM 920 CA LEU A 59 137.287 12.712 9.293 1.00 0.40 C ATOM 921 C LEU A 59 137.151 13.749 10.411 1.00 0.44 C ATOM 922 O LEU A 59 136.631 13.472 11.473 1.00 0.54 O ATOM 923 CB LEU A 59 136.090 12.781 8.334 1.00 0.52 C ATOM 924 CG LEU A 59 135.719 14.243 8.083 1.00 0.67 C ATOM 925 CD1 LEU A 59 136.750 14.864 7.141 1.00 0.76 C ATOM 926 CD2 LEU A 59 134.329 14.320 7.451 1.00 0.73 C ATOM 0 H LEU A 59 136.374 10.851 9.799 1.00 0.38 H new ATOM 0 HA LEU A 59 138.221 12.924 8.772 1.00 0.40 H new ATOM 0 HB2 LEU A 59 136.337 12.291 7.392 1.00 0.52 H new ATOM 0 HB3 LEU A 59 135.240 12.247 8.758 1.00 0.52 H new ATOM 0 HG LEU A 59 135.710 14.788 9.027 1.00 0.67 H new ATOM 0 HD11 LEU A 59 136.493 15.907 6.957 1.00 0.76 H new ATOM 0 HD12 LEU A 59 137.739 14.809 7.597 1.00 0.76 H new ATOM 0 HD13 LEU A 59 136.755 14.319 6.197 1.00 0.76 H new ATOM 0 HD21 LEU A 59 134.067 15.363 7.273 1.00 0.73 H new ATOM 0 HD22 LEU A 59 134.329 13.780 6.504 1.00 0.73 H new ATOM 0 HD23 LEU A 59 133.598 13.872 8.124 1.00 0.73 H new ATOM 938 N LYS A 60 137.535 14.962 10.137 1.00 0.44 N ATOM 939 CA LYS A 60 137.345 16.056 11.127 1.00 0.56 C ATOM 940 C LYS A 60 136.565 17.196 10.467 1.00 0.60 C ATOM 941 O LYS A 60 136.541 17.311 9.258 1.00 1.11 O ATOM 942 CB LYS A 60 138.762 16.500 11.499 1.00 0.60 C ATOM 943 CG LYS A 60 138.694 17.691 12.455 1.00 1.14 C ATOM 944 CD LYS A 60 140.051 17.882 13.137 1.00 1.45 C ATOM 945 CE LYS A 60 141.126 18.156 12.082 1.00 2.03 C ATOM 946 NZ LYS A 60 142.419 17.958 12.795 1.00 2.51 N ATOM 0 H LYS A 60 137.976 15.245 9.262 1.00 0.44 H new ATOM 0 HA LYS A 60 136.783 15.747 12.009 1.00 0.56 H new ATOM 0 HB2 LYS A 60 139.301 15.676 11.967 1.00 0.60 H new ATOM 0 HB3 LYS A 60 139.316 16.773 10.601 1.00 0.60 H new ATOM 0 HG2 LYS A 60 138.420 18.593 11.908 1.00 1.14 H new ATOM 0 HG3 LYS A 60 137.920 17.525 13.204 1.00 1.14 H new ATOM 0 HD2 LYS A 60 140.001 18.711 13.842 1.00 1.45 H new ATOM 0 HD3 LYS A 60 140.309 16.991 13.710 1.00 1.45 H new ATOM 0 HE2 LYS A 60 141.033 17.475 11.236 1.00 2.03 H new ATOM 0 HE3 LYS A 60 141.043 19.168 11.687 1.00 2.03 H new ATOM 0 HZ1 LYS A 60 143.207 18.128 12.138 1.00 2.51 H new ATOM 0 HZ2 LYS A 60 142.482 18.624 13.591 1.00 2.51 H new ATOM 0 HZ3 LYS A 60 142.472 16.983 13.154 1.00 2.51 H new ATOM 960 N GLU A 61 135.869 17.996 11.231 1.00 0.72 N ATOM 961 CA GLU A 61 135.030 19.080 10.620 1.00 0.75 C ATOM 962 C GLU A 61 135.891 20.100 9.864 1.00 0.71 C ATOM 963 O GLU A 61 135.595 21.278 9.838 1.00 0.79 O ATOM 964 CB GLU A 61 134.332 19.749 11.796 1.00 0.87 C ATOM 965 CG GLU A 61 133.201 18.851 12.303 1.00 0.97 C ATOM 966 CD GLU A 61 132.503 19.524 13.486 1.00 1.34 C ATOM 967 OE1 GLU A 61 133.004 20.536 13.947 1.00 1.93 O ATOM 968 OE2 GLU A 61 131.476 19.019 13.908 1.00 1.84 O ATOM 0 H GLU A 61 135.842 17.950 12.250 1.00 0.72 H new ATOM 0 HA GLU A 61 134.328 18.675 9.891 1.00 0.75 H new ATOM 0 HB2 GLU A 61 135.047 19.937 12.597 1.00 0.87 H new ATOM 0 HB3 GLU A 61 133.933 20.717 11.492 1.00 0.87 H new ATOM 0 HG2 GLU A 61 132.485 18.665 11.503 1.00 0.97 H new ATOM 0 HG3 GLU A 61 133.600 17.883 12.606 1.00 0.97 H new ATOM 975 N ASP A 62 136.903 19.645 9.195 1.00 0.64 N ATOM 976 CA ASP A 62 137.740 20.555 8.365 1.00 0.65 C ATOM 977 C ASP A 62 138.297 19.786 7.164 1.00 0.61 C ATOM 978 O ASP A 62 139.495 19.650 7.013 1.00 0.63 O ATOM 979 CB ASP A 62 138.872 21.004 9.288 1.00 0.68 C ATOM 980 CG ASP A 62 139.740 19.797 9.651 1.00 0.60 C ATOM 981 OD1 ASP A 62 139.187 18.720 9.802 1.00 1.29 O ATOM 982 OD2 ASP A 62 140.941 19.971 9.773 1.00 1.06 O ATOM 0 H ASP A 62 137.194 18.667 9.185 1.00 0.64 H new ATOM 0 HA ASP A 62 137.178 21.404 7.975 1.00 0.65 H new ATOM 0 HB2 ASP A 62 139.477 21.766 8.796 1.00 0.68 H new ATOM 0 HB3 ASP A 62 138.462 21.456 10.191 1.00 0.68 H new ATOM 987 N LYS A 63 137.430 19.240 6.343 1.00 0.60 N ATOM 988 CA LYS A 63 137.878 18.416 5.170 1.00 0.61 C ATOM 989 C LYS A 63 139.257 17.794 5.422 1.00 0.61 C ATOM 990 O LYS A 63 140.188 18.001 4.670 1.00 0.79 O ATOM 991 CB LYS A 63 137.928 19.378 3.976 1.00 0.67 C ATOM 992 CG LYS A 63 138.533 20.717 4.398 1.00 0.70 C ATOM 993 CD LYS A 63 139.390 21.272 3.262 1.00 0.83 C ATOM 994 CE LYS A 63 140.771 21.632 3.813 1.00 0.91 C ATOM 995 NZ LYS A 63 141.656 21.715 2.619 1.00 1.22 N ATOM 0 H LYS A 63 136.418 19.331 6.436 1.00 0.60 H new ATOM 0 HA LYS A 63 137.195 17.586 4.990 1.00 0.61 H new ATOM 0 HB2 LYS A 63 138.521 18.941 3.173 1.00 0.67 H new ATOM 0 HB3 LYS A 63 136.923 19.533 3.583 1.00 0.67 H new ATOM 0 HG2 LYS A 63 137.741 21.423 4.648 1.00 0.70 H new ATOM 0 HG3 LYS A 63 139.139 20.587 5.295 1.00 0.70 H new ATOM 0 HD2 LYS A 63 139.483 20.534 2.465 1.00 0.83 H new ATOM 0 HD3 LYS A 63 138.916 22.152 2.828 1.00 0.83 H new ATOM 0 HE2 LYS A 63 140.746 22.579 4.351 1.00 0.91 H new ATOM 0 HE3 LYS A 63 141.125 20.876 4.514 1.00 0.91 H new ATOM 0 HZ1 LYS A 63 142.622 21.959 2.919 1.00 1.22 H new ATOM 0 HZ2 LYS A 63 141.666 20.797 2.130 1.00 1.22 H new ATOM 0 HZ3 LYS A 63 141.299 22.447 1.973 1.00 1.22 H new ATOM 1009 N SER A 64 139.378 16.987 6.442 1.00 0.48 N ATOM 1010 CA SER A 64 140.677 16.299 6.707 1.00 0.50 C ATOM 1011 C SER A 64 140.439 15.001 7.467 1.00 0.43 C ATOM 1012 O SER A 64 139.478 14.852 8.194 1.00 0.45 O ATOM 1013 CB SER A 64 141.490 17.276 7.554 1.00 0.57 C ATOM 1014 OG SER A 64 141.909 16.630 8.750 1.00 1.24 O ATOM 0 H SER A 64 138.633 16.774 7.105 1.00 0.48 H new ATOM 0 HA SER A 64 141.197 16.038 5.785 1.00 0.50 H new ATOM 0 HB2 SER A 64 142.357 17.626 6.994 1.00 0.57 H new ATOM 0 HB3 SER A 64 140.890 18.154 7.793 1.00 0.57 H new ATOM 0 HG SER A 64 142.432 17.255 9.294 1.00 1.24 H new ATOM 1020 N TYR A 65 141.320 14.068 7.300 1.00 0.42 N ATOM 1021 CA TYR A 65 141.177 12.764 7.999 1.00 0.43 C ATOM 1022 C TYR A 65 142.320 12.561 8.985 1.00 0.35 C ATOM 1023 O TYR A 65 143.476 12.574 8.611 1.00 0.36 O ATOM 1024 CB TYR A 65 141.272 11.697 6.909 1.00 0.57 C ATOM 1025 CG TYR A 65 140.043 11.709 6.040 1.00 0.90 C ATOM 1026 CD1 TYR A 65 138.847 11.154 6.510 1.00 1.55 C ATOM 1027 CD2 TYR A 65 140.107 12.248 4.751 1.00 1.36 C ATOM 1028 CE1 TYR A 65 137.714 11.138 5.689 1.00 2.41 C ATOM 1029 CE2 TYR A 65 138.974 12.238 3.932 1.00 2.20 C ATOM 1030 CZ TYR A 65 137.778 11.681 4.399 1.00 2.69 C ATOM 1031 OH TYR A 65 136.665 11.660 3.586 1.00 3.61 O ATOM 0 H TYR A 65 142.144 14.149 6.704 1.00 0.42 H new ATOM 0 HA TYR A 65 140.239 12.717 8.552 1.00 0.43 H new ATOM 0 HB2 TYR A 65 142.157 11.873 6.297 1.00 0.57 H new ATOM 0 HB3 TYR A 65 141.391 10.714 7.365 1.00 0.57 H new ATOM 0 HD1 TYR A 65 138.799 10.738 7.506 1.00 1.55 H new ATOM 0 HD2 TYR A 65 141.032 12.672 4.388 1.00 1.36 H new ATOM 0 HE1 TYR A 65 136.791 10.708 6.049 1.00 2.41 H new ATOM 0 HE2 TYR A 65 139.022 12.660 2.939 1.00 2.20 H new ATOM 0 HH TYR A 65 136.845 12.175 2.772 1.00 3.61 H new ATOM 1041 N ASN A 66 142.009 12.073 10.143 1.00 0.32 N ATOM 1042 CA ASN A 66 143.096 11.533 10.998 1.00 0.29 C ATOM 1043 C ASN A 66 143.006 10.009 11.000 1.00 0.27 C ATOM 1044 O ASN A 66 142.001 9.442 11.380 1.00 0.29 O ATOM 1045 CB ASN A 66 142.844 12.097 12.398 1.00 0.36 C ATOM 1046 CG ASN A 66 144.181 12.303 13.117 1.00 0.49 C ATOM 1047 OD1 ASN A 66 144.685 13.406 13.178 1.00 0.95 O ATOM 1048 ND2 ASN A 66 144.783 11.281 13.667 1.00 0.44 N ATOM 0 H ASN A 66 141.068 12.023 10.533 1.00 0.32 H new ATOM 0 HA ASN A 66 144.089 11.809 10.644 1.00 0.29 H new ATOM 0 HB2 ASN A 66 142.307 13.043 12.329 1.00 0.36 H new ATOM 0 HB3 ASN A 66 142.214 11.414 12.968 1.00 0.36 H new ATOM 0 HD21 ASN A 66 145.674 11.411 14.146 1.00 0.44 H new ATOM 0 HD22 ASN A 66 144.362 10.353 13.617 1.00 0.44 H new ATOM 1055 N VAL A 67 143.966 9.353 10.416 1.00 0.29 N ATOM 1056 CA VAL A 67 143.825 7.883 10.209 1.00 0.33 C ATOM 1057 C VAL A 67 144.573 7.120 11.301 1.00 0.29 C ATOM 1058 O VAL A 67 145.746 7.330 11.530 1.00 0.34 O ATOM 1059 CB VAL A 67 144.452 7.611 8.840 1.00 0.43 C ATOM 1060 CG1 VAL A 67 144.156 6.170 8.416 1.00 0.51 C ATOM 1061 CG2 VAL A 67 143.865 8.575 7.805 1.00 0.51 C ATOM 0 H VAL A 67 144.835 9.764 10.075 1.00 0.29 H new ATOM 0 HA VAL A 67 142.785 7.560 10.252 1.00 0.33 H new ATOM 0 HB VAL A 67 145.530 7.757 8.904 1.00 0.43 H new ATOM 0 HG11 VAL A 67 144.603 5.978 7.441 1.00 0.51 H new ATOM 0 HG12 VAL A 67 144.576 5.481 9.149 1.00 0.51 H new ATOM 0 HG13 VAL A 67 143.078 6.023 8.356 1.00 0.51 H new ATOM 0 HG21 VAL A 67 144.313 8.380 6.831 1.00 0.51 H new ATOM 0 HG22 VAL A 67 142.786 8.431 7.744 1.00 0.51 H new ATOM 0 HG23 VAL A 67 144.077 9.602 8.103 1.00 0.51 H new ATOM 1071 N THR A 68 143.905 6.205 11.949 1.00 0.29 N ATOM 1072 CA THR A 68 144.567 5.389 12.996 1.00 0.28 C ATOM 1073 C THR A 68 144.873 4.001 12.452 1.00 0.26 C ATOM 1074 O THR A 68 143.993 3.245 12.104 1.00 0.29 O ATOM 1075 CB THR A 68 143.560 5.308 14.145 1.00 0.30 C ATOM 1076 OG1 THR A 68 143.660 6.480 14.936 1.00 0.33 O ATOM 1077 CG2 THR A 68 143.858 4.084 15.014 1.00 0.38 C ATOM 0 H THR A 68 142.920 5.989 11.794 1.00 0.29 H new ATOM 0 HA THR A 68 145.512 5.823 13.323 1.00 0.28 H new ATOM 0 HB THR A 68 142.553 5.221 13.736 1.00 0.30 H new ATOM 0 HG1 THR A 68 143.015 6.433 15.673 1.00 0.33 H new ATOM 0 HG21 THR A 68 143.137 4.033 15.830 1.00 0.38 H new ATOM 0 HG22 THR A 68 143.785 3.181 14.408 1.00 0.38 H new ATOM 0 HG23 THR A 68 144.865 4.165 15.424 1.00 0.38 H new ATOM 1085 N SER A 69 146.107 3.633 12.463 1.00 0.26 N ATOM 1086 CA SER A 69 146.461 2.254 12.041 1.00 0.27 C ATOM 1087 C SER A 69 146.681 1.378 13.270 1.00 0.29 C ATOM 1088 O SER A 69 147.475 1.685 14.136 1.00 0.33 O ATOM 1089 CB SER A 69 147.749 2.393 11.232 1.00 0.33 C ATOM 1090 OG SER A 69 147.453 2.989 9.977 1.00 1.00 O ATOM 0 H SER A 69 146.892 4.221 12.744 1.00 0.26 H new ATOM 0 HA SER A 69 145.673 1.786 11.452 1.00 0.27 H new ATOM 0 HB2 SER A 69 148.470 3.003 11.776 1.00 0.33 H new ATOM 0 HB3 SER A 69 148.207 1.415 11.084 1.00 0.33 H new ATOM 0 HG SER A 69 146.805 2.433 9.495 1.00 1.00 H new ATOM 1096 N VAL A 70 145.930 0.320 13.380 1.00 0.33 N ATOM 1097 CA VAL A 70 146.036 -0.545 14.589 1.00 0.39 C ATOM 1098 C VAL A 70 146.990 -1.709 14.324 1.00 0.47 C ATOM 1099 O VAL A 70 146.935 -2.345 13.291 1.00 0.48 O ATOM 1100 CB VAL A 70 144.618 -1.059 14.830 1.00 0.41 C ATOM 1101 CG1 VAL A 70 144.625 -2.053 15.992 1.00 0.53 C ATOM 1102 CG2 VAL A 70 143.702 0.118 15.170 1.00 0.40 C ATOM 0 H VAL A 70 145.247 0.016 12.686 1.00 0.33 H new ATOM 0 HA VAL A 70 146.427 -0.005 15.451 1.00 0.39 H new ATOM 0 HB VAL A 70 144.254 -1.556 13.931 1.00 0.41 H new ATOM 0 HG11 VAL A 70 143.613 -2.419 16.163 1.00 0.53 H new ATOM 0 HG12 VAL A 70 145.278 -2.891 15.750 1.00 0.53 H new ATOM 0 HG13 VAL A 70 144.989 -1.558 16.892 1.00 0.53 H new ATOM 0 HG21 VAL A 70 142.689 -0.247 15.342 1.00 0.40 H new ATOM 0 HG22 VAL A 70 144.067 0.615 16.069 1.00 0.40 H new ATOM 0 HG23 VAL A 70 143.696 0.826 14.341 1.00 0.40 H new ATOM 1112 N LEU A 71 147.876 -1.985 15.240 1.00 0.56 N ATOM 1113 CA LEU A 71 148.839 -3.101 15.021 1.00 0.66 C ATOM 1114 C LEU A 71 148.696 -4.149 16.124 1.00 0.68 C ATOM 1115 O LEU A 71 148.023 -3.944 17.114 1.00 0.77 O ATOM 1116 CB LEU A 71 150.254 -2.496 15.047 1.00 0.72 C ATOM 1117 CG LEU A 71 150.205 -0.978 15.237 1.00 1.11 C ATOM 1118 CD1 LEU A 71 150.013 -0.663 16.719 1.00 1.77 C ATOM 1119 CD2 LEU A 71 151.523 -0.368 14.755 1.00 1.39 C ATOM 0 H LEU A 71 147.975 -1.490 16.126 1.00 0.56 H new ATOM 0 HA LEU A 71 148.646 -3.592 14.067 1.00 0.66 H new ATOM 0 HB2 LEU A 71 150.830 -2.948 15.854 1.00 0.72 H new ATOM 0 HB3 LEU A 71 150.770 -2.732 14.116 1.00 0.72 H new ATOM 0 HG LEU A 71 149.377 -0.561 14.664 1.00 1.11 H new ATOM 0 HD11 LEU A 71 149.977 0.417 16.860 1.00 1.77 H new ATOM 0 HD12 LEU A 71 149.079 -1.105 17.067 1.00 1.77 H new ATOM 0 HD13 LEU A 71 150.845 -1.076 17.290 1.00 1.77 H new ATOM 0 HD21 LEU A 71 151.494 0.713 14.888 1.00 1.39 H new ATOM 0 HD22 LEU A 71 152.349 -0.782 15.333 1.00 1.39 H new ATOM 0 HD23 LEU A 71 151.667 -0.600 13.700 1.00 1.39 H new ATOM 1131 N PHE A 72 149.244 -5.307 15.900 1.00 0.74 N ATOM 1132 CA PHE A 72 149.056 -6.432 16.859 1.00 0.85 C ATOM 1133 C PHE A 72 150.326 -6.665 17.683 1.00 1.10 C ATOM 1134 O PHE A 72 151.395 -6.876 17.144 1.00 1.27 O ATOM 1135 CB PHE A 72 148.779 -7.638 15.964 1.00 1.02 C ATOM 1136 CG PHE A 72 148.773 -8.901 16.790 1.00 1.16 C ATOM 1137 CD1 PHE A 72 149.963 -9.611 16.985 1.00 1.42 C ATOM 1138 CD2 PHE A 72 147.579 -9.365 17.355 1.00 1.18 C ATOM 1139 CE1 PHE A 72 149.961 -10.786 17.747 1.00 1.59 C ATOM 1140 CE2 PHE A 72 147.576 -10.541 18.117 1.00 1.33 C ATOM 1141 CZ PHE A 72 148.767 -11.252 18.312 1.00 1.50 C ATOM 0 H PHE A 72 149.820 -5.527 15.087 1.00 0.74 H new ATOM 0 HA PHE A 72 148.256 -6.239 17.574 1.00 0.85 H new ATOM 0 HB2 PHE A 72 147.819 -7.517 15.463 1.00 1.02 H new ATOM 0 HB3 PHE A 72 149.539 -7.706 15.185 1.00 1.02 H new ATOM 0 HD1 PHE A 72 150.883 -9.253 16.548 1.00 1.42 H new ATOM 0 HD2 PHE A 72 146.661 -8.817 17.204 1.00 1.18 H new ATOM 0 HE1 PHE A 72 150.880 -11.333 17.899 1.00 1.59 H new ATOM 0 HE2 PHE A 72 146.656 -10.899 18.554 1.00 1.33 H new ATOM 0 HZ PHE A 72 148.765 -12.159 18.898 1.00 1.50 H new ATOM 1151 N ARG A 73 150.174 -6.838 18.965 1.00 1.19 N ATOM 1152 CA ARG A 73 151.310 -7.299 19.796 1.00 1.52 C ATOM 1153 C ARG A 73 151.022 -8.725 20.256 1.00 1.59 C ATOM 1154 O ARG A 73 150.031 -9.317 19.880 1.00 1.40 O ATOM 1155 CB ARG A 73 151.355 -6.345 20.992 1.00 1.68 C ATOM 1156 CG ARG A 73 151.809 -4.958 20.528 1.00 2.26 C ATOM 1157 CD ARG A 73 151.840 -4.007 21.727 1.00 2.84 C ATOM 1158 NE ARG A 73 152.059 -2.654 21.142 1.00 3.40 N ATOM 1159 CZ ARG A 73 152.432 -1.662 21.906 1.00 3.88 C ATOM 1160 NH1 ARG A 73 152.618 -1.853 23.184 1.00 4.46 N ATOM 1161 NH2 ARG A 73 152.618 -0.477 21.391 1.00 4.04 N ATOM 0 H ARG A 73 149.304 -6.678 19.473 1.00 1.19 H new ATOM 0 HA ARG A 73 152.260 -7.299 19.261 1.00 1.52 H new ATOM 0 HB2 ARG A 73 150.370 -6.280 21.455 1.00 1.68 H new ATOM 0 HB3 ARG A 73 152.039 -6.728 21.749 1.00 1.68 H new ATOM 0 HG2 ARG A 73 152.798 -5.020 20.073 1.00 2.26 H new ATOM 0 HG3 ARG A 73 151.130 -4.577 19.765 1.00 2.26 H new ATOM 0 HD2 ARG A 73 150.906 -4.048 22.287 1.00 2.84 H new ATOM 0 HD3 ARG A 73 152.639 -4.271 22.420 1.00 2.84 H new ATOM 0 HE ARG A 73 151.917 -2.502 20.143 1.00 3.40 H new ATOM 0 HH11 ARG A 73 152.472 -2.778 23.588 1.00 4.46 H new ATOM 0 HH12 ARG A 73 152.909 -1.077 23.779 1.00 4.46 H new ATOM 0 HH21 ARG A 73 152.472 -0.326 20.393 1.00 4.04 H new ATOM 0 HH22 ARG A 73 152.909 0.298 21.987 1.00 4.04 H new ATOM 1175 N LYS A 74 151.914 -9.310 20.985 1.00 1.90 N ATOM 1176 CA LYS A 74 151.737 -10.743 21.358 1.00 2.02 C ATOM 1177 C LYS A 74 150.405 -10.946 22.071 1.00 1.74 C ATOM 1178 O LYS A 74 149.630 -11.811 21.714 1.00 1.73 O ATOM 1179 CB LYS A 74 152.908 -11.068 22.287 1.00 2.25 C ATOM 1180 CG LYS A 74 154.195 -11.192 21.467 1.00 2.79 C ATOM 1181 CD LYS A 74 155.366 -11.517 22.397 1.00 3.04 C ATOM 1182 CE LYS A 74 156.653 -11.638 21.577 1.00 3.77 C ATOM 1183 NZ LYS A 74 156.831 -13.100 21.346 1.00 4.44 N ATOM 0 H LYS A 74 152.760 -8.866 21.343 1.00 1.90 H new ATOM 0 HA LYS A 74 151.726 -11.395 20.484 1.00 2.02 H new ATOM 0 HB2 LYS A 74 153.017 -10.286 23.038 1.00 2.25 H new ATOM 0 HB3 LYS A 74 152.714 -11.998 22.821 1.00 2.25 H new ATOM 0 HG2 LYS A 74 154.086 -11.974 20.716 1.00 2.79 H new ATOM 0 HG3 LYS A 74 154.389 -10.262 20.933 1.00 2.79 H new ATOM 0 HD2 LYS A 74 155.474 -10.736 23.149 1.00 3.04 H new ATOM 0 HD3 LYS A 74 155.173 -12.448 22.930 1.00 3.04 H new ATOM 0 HE2 LYS A 74 156.572 -11.097 20.634 1.00 3.77 H new ATOM 0 HE3 LYS A 74 157.503 -11.217 22.114 1.00 3.77 H new ATOM 0 HZ1 LYS A 74 157.695 -13.261 20.789 1.00 4.44 H new ATOM 0 HZ2 LYS A 74 156.913 -13.589 22.260 1.00 4.44 H new ATOM 0 HZ3 LYS A 74 156.010 -13.472 20.827 1.00 4.44 H new ATOM 1197 N LYS A 75 150.040 -10.030 22.908 1.00 1.61 N ATOM 1198 CA LYS A 75 148.647 -10.028 23.435 1.00 1.42 C ATOM 1199 C LYS A 75 148.136 -8.596 23.591 1.00 1.30 C ATOM 1200 O LYS A 75 147.425 -8.283 24.526 1.00 1.35 O ATOM 1201 CB LYS A 75 148.716 -10.722 24.797 1.00 1.57 C ATOM 1202 CG LYS A 75 149.024 -12.209 24.609 1.00 2.17 C ATOM 1203 CD LYS A 75 149.026 -12.901 25.975 1.00 2.44 C ATOM 1204 CE LYS A 75 149.851 -14.187 25.900 1.00 3.40 C ATOM 1205 NZ LYS A 75 150.879 -14.043 26.969 1.00 3.75 N ATOM 0 H LYS A 75 150.640 -9.281 23.254 1.00 1.61 H new ATOM 0 HA LYS A 75 147.962 -10.539 22.758 1.00 1.42 H new ATOM 0 HB2 LYS A 75 149.486 -10.257 25.413 1.00 1.57 H new ATOM 0 HB3 LYS A 75 147.770 -10.602 25.325 1.00 1.57 H new ATOM 0 HG2 LYS A 75 148.280 -12.667 23.957 1.00 2.17 H new ATOM 0 HG3 LYS A 75 149.992 -12.333 24.124 1.00 2.17 H new ATOM 0 HD2 LYS A 75 149.442 -12.234 26.731 1.00 2.44 H new ATOM 0 HD3 LYS A 75 148.005 -13.130 26.279 1.00 2.44 H new ATOM 0 HE2 LYS A 75 149.229 -15.066 26.066 1.00 3.40 H new ATOM 0 HE3 LYS A 75 150.313 -14.304 24.920 1.00 3.40 H new ATOM 0 HZ1 LYS A 75 151.487 -14.887 26.982 1.00 3.75 H new ATOM 0 HZ2 LYS A 75 151.460 -13.201 26.781 1.00 3.75 H new ATOM 0 HZ3 LYS A 75 150.409 -13.940 27.891 1.00 3.75 H new ATOM 1219 N LYS A 76 148.430 -7.737 22.656 1.00 1.25 N ATOM 1220 CA LYS A 76 147.896 -6.357 22.738 1.00 1.26 C ATOM 1221 C LYS A 76 147.767 -5.733 21.350 1.00 1.05 C ATOM 1222 O LYS A 76 148.582 -5.947 20.478 1.00 1.03 O ATOM 1223 CB LYS A 76 148.904 -5.575 23.584 1.00 1.63 C ATOM 1224 CG LYS A 76 148.827 -6.029 25.043 1.00 2.25 C ATOM 1225 CD LYS A 76 149.840 -5.235 25.871 1.00 2.61 C ATOM 1226 CE LYS A 76 149.776 -5.680 27.336 1.00 3.35 C ATOM 1227 NZ LYS A 76 149.159 -4.535 28.067 1.00 3.82 N ATOM 0 H LYS A 76 149.015 -7.933 21.843 1.00 1.25 H new ATOM 0 HA LYS A 76 146.899 -6.344 23.177 1.00 1.26 H new ATOM 0 HB2 LYS A 76 149.912 -5.730 23.199 1.00 1.63 H new ATOM 0 HB3 LYS A 76 148.697 -4.507 23.516 1.00 1.63 H new ATOM 0 HG2 LYS A 76 147.821 -5.874 25.432 1.00 2.25 H new ATOM 0 HG3 LYS A 76 149.036 -7.096 25.116 1.00 2.25 H new ATOM 0 HD2 LYS A 76 150.845 -5.389 25.478 1.00 2.61 H new ATOM 0 HD3 LYS A 76 149.629 -4.168 25.796 1.00 2.61 H new ATOM 0 HE2 LYS A 76 149.179 -6.585 27.447 1.00 3.35 H new ATOM 0 HE3 LYS A 76 150.770 -5.904 27.723 1.00 3.35 H new ATOM 0 HZ1 LYS A 76 149.083 -4.769 29.078 1.00 3.82 H new ATOM 0 HZ2 LYS A 76 149.752 -3.689 27.951 1.00 3.82 H new ATOM 0 HZ3 LYS A 76 148.211 -4.348 27.683 1.00 3.82 H new ATOM 1241 N CYS A 77 146.821 -4.859 21.191 1.00 0.99 N ATOM 1242 CA CYS A 77 146.710 -4.091 19.918 1.00 0.83 C ATOM 1243 C CYS A 77 146.933 -2.599 20.196 1.00 0.81 C ATOM 1244 O CYS A 77 146.364 -2.039 21.112 1.00 0.92 O ATOM 1245 CB CYS A 77 145.284 -4.348 19.433 1.00 0.86 C ATOM 1246 SG CYS A 77 145.289 -4.661 17.650 1.00 0.86 S ATOM 0 H CYS A 77 146.112 -4.639 21.891 1.00 0.99 H new ATOM 0 HA CYS A 77 147.449 -4.391 19.175 1.00 0.83 H new ATOM 0 HB2 CYS A 77 144.859 -5.202 19.960 1.00 0.86 H new ATOM 0 HB3 CYS A 77 144.653 -3.488 19.659 1.00 0.86 H new ATOM 1251 N ASP A 78 147.823 -1.976 19.473 1.00 0.73 N ATOM 1252 CA ASP A 78 148.153 -0.551 19.768 1.00 0.75 C ATOM 1253 C ASP A 78 147.729 0.348 18.604 1.00 0.67 C ATOM 1254 O ASP A 78 147.239 -0.118 17.594 1.00 0.67 O ATOM 1255 CB ASP A 78 149.671 -0.525 19.945 1.00 0.82 C ATOM 1256 CG ASP A 78 150.030 0.337 21.157 1.00 0.94 C ATOM 1257 OD1 ASP A 78 150.086 1.547 21.003 1.00 1.47 O ATOM 1258 OD2 ASP A 78 150.244 -0.226 22.217 1.00 1.42 O ATOM 0 H ASP A 78 148.335 -2.389 18.693 1.00 0.73 H new ATOM 0 HA ASP A 78 147.633 -0.183 20.653 1.00 0.75 H new ATOM 0 HB2 ASP A 78 150.049 -1.538 20.081 1.00 0.82 H new ATOM 0 HB3 ASP A 78 150.145 -0.126 19.048 1.00 0.82 H new ATOM 1263 N TYR A 79 147.829 1.639 18.773 1.00 0.62 N ATOM 1264 CA TYR A 79 147.331 2.567 17.717 1.00 0.56 C ATOM 1265 C TYR A 79 148.423 3.556 17.293 1.00 0.55 C ATOM 1266 O TYR A 79 149.083 4.158 18.115 1.00 0.62 O ATOM 1267 CB TYR A 79 146.167 3.307 18.371 1.00 0.63 C ATOM 1268 CG TYR A 79 145.094 2.314 18.744 1.00 0.83 C ATOM 1269 CD1 TYR A 79 145.143 1.666 19.985 1.00 1.24 C ATOM 1270 CD2 TYR A 79 144.057 2.032 17.847 1.00 0.83 C ATOM 1271 CE1 TYR A 79 144.153 0.738 20.330 1.00 1.68 C ATOM 1272 CE2 TYR A 79 143.066 1.104 18.192 1.00 1.20 C ATOM 1273 CZ TYR A 79 143.114 0.457 19.433 1.00 1.65 C ATOM 1274 OH TYR A 79 142.139 -0.458 19.772 1.00 2.10 O ATOM 0 H TYR A 79 148.233 2.090 19.594 1.00 0.62 H new ATOM 0 HA TYR A 79 147.033 2.034 16.814 1.00 0.56 H new ATOM 0 HB2 TYR A 79 146.511 3.839 19.258 1.00 0.63 H new ATOM 0 HB3 TYR A 79 145.765 4.055 17.687 1.00 0.63 H new ATOM 0 HD1 TYR A 79 145.945 1.882 20.676 1.00 1.24 H new ATOM 0 HD2 TYR A 79 144.021 2.530 16.889 1.00 0.83 H new ATOM 0 HE1 TYR A 79 144.190 0.239 21.287 1.00 1.68 H new ATOM 0 HE2 TYR A 79 142.265 0.888 17.501 1.00 1.20 H new ATOM 0 HH TYR A 79 141.493 -0.534 19.039 1.00 2.10 H new ATOM 1284 N TRP A 80 148.481 3.856 16.025 1.00 0.48 N ATOM 1285 CA TRP A 80 149.362 4.959 15.546 1.00 0.49 C ATOM 1286 C TRP A 80 148.618 5.720 14.450 1.00 0.42 C ATOM 1287 O TRP A 80 147.726 5.179 13.829 1.00 0.44 O ATOM 1288 CB TRP A 80 150.608 4.271 14.986 1.00 0.53 C ATOM 1289 CG TRP A 80 151.800 5.150 15.195 1.00 0.69 C ATOM 1290 CD1 TRP A 80 152.515 5.227 16.342 1.00 1.29 C ATOM 1291 CD2 TRP A 80 152.428 6.074 14.259 1.00 0.83 C ATOM 1292 NE1 TRP A 80 153.541 6.138 16.169 1.00 1.32 N ATOM 1293 CE2 TRP A 80 153.530 6.687 14.902 1.00 0.92 C ATOM 1294 CE3 TRP A 80 152.152 6.436 12.927 1.00 1.48 C ATOM 1295 CZ2 TRP A 80 154.329 7.626 14.248 1.00 1.13 C ATOM 1296 CZ3 TRP A 80 152.954 7.381 12.265 1.00 1.93 C ATOM 1297 CH2 TRP A 80 154.040 7.974 12.925 1.00 1.63 C ATOM 0 H TRP A 80 147.952 3.381 15.294 1.00 0.48 H new ATOM 0 HA TRP A 80 149.632 5.669 16.328 1.00 0.49 H new ATOM 0 HB2 TRP A 80 150.760 3.311 15.480 1.00 0.53 H new ATOM 0 HB3 TRP A 80 150.476 4.065 13.924 1.00 0.53 H new ATOM 0 HD1 TRP A 80 152.317 4.668 17.245 1.00 1.29 H new ATOM 0 HE1 TRP A 80 154.223 6.375 16.890 1.00 1.32 H new ATOM 0 HE3 TRP A 80 151.318 5.984 12.410 1.00 1.48 H new ATOM 0 HZ2 TRP A 80 155.164 8.080 14.760 1.00 1.13 H new ATOM 0 HZ3 TRP A 80 152.733 7.652 11.243 1.00 1.93 H new ATOM 0 HH2 TRP A 80 154.653 8.700 12.411 1.00 1.63 H new ATOM 1308 N ILE A 81 148.821 7.001 14.326 1.00 0.39 N ATOM 1309 CA ILE A 81 147.927 7.763 13.407 1.00 0.35 C ATOM 1310 C ILE A 81 148.700 8.491 12.312 1.00 0.37 C ATOM 1311 O ILE A 81 149.586 9.280 12.574 1.00 0.45 O ATOM 1312 CB ILE A 81 147.146 8.769 14.260 1.00 0.38 C ATOM 1313 CG1 ILE A 81 147.754 8.909 15.662 1.00 0.47 C ATOM 1314 CG2 ILE A 81 145.706 8.283 14.374 1.00 0.38 C ATOM 1315 CD1 ILE A 81 147.445 7.660 16.491 1.00 1.07 C ATOM 0 H ILE A 81 149.543 7.541 14.803 1.00 0.39 H new ATOM 0 HA ILE A 81 147.260 7.067 12.899 1.00 0.35 H new ATOM 0 HB ILE A 81 147.189 9.748 13.782 1.00 0.38 H new ATOM 0 HG12 ILE A 81 148.832 9.049 15.588 1.00 0.47 H new ATOM 0 HG13 ILE A 81 147.351 9.793 16.156 1.00 0.47 H new ATOM 0 HG21 ILE A 81 145.132 8.985 14.978 1.00 0.38 H new ATOM 0 HG22 ILE A 81 145.265 8.215 13.379 1.00 0.38 H new ATOM 0 HG23 ILE A 81 145.690 7.301 14.846 1.00 0.38 H new ATOM 0 HD11 ILE A 81 147.880 7.766 17.485 1.00 1.07 H new ATOM 0 HD12 ILE A 81 146.365 7.539 16.578 1.00 1.07 H new ATOM 0 HD13 ILE A 81 147.870 6.784 16.001 1.00 1.07 H new ATOM 1327 N ARG A 82 148.167 8.431 11.124 1.00 0.35 N ATOM 1328 CA ARG A 82 148.632 9.334 10.035 1.00 0.40 C ATOM 1329 C ARG A 82 147.432 10.122 9.505 1.00 0.36 C ATOM 1330 O ARG A 82 146.307 9.688 9.619 1.00 0.38 O ATOM 1331 CB ARG A 82 149.194 8.415 8.948 1.00 0.45 C ATOM 1332 CG ARG A 82 150.564 7.880 9.374 1.00 0.81 C ATOM 1333 CD ARG A 82 151.077 6.901 8.314 1.00 1.41 C ATOM 1334 NE ARG A 82 152.495 6.633 8.683 1.00 1.78 N ATOM 1335 CZ ARG A 82 153.181 5.733 8.030 1.00 2.39 C ATOM 1336 NH1 ARG A 82 152.620 5.052 7.068 1.00 2.99 N ATOM 1337 NH2 ARG A 82 154.430 5.513 8.340 1.00 2.79 N ATOM 0 H ARG A 82 147.421 7.788 10.858 1.00 0.35 H new ATOM 0 HA ARG A 82 149.384 10.048 10.371 1.00 0.40 H new ATOM 0 HB2 ARG A 82 148.509 7.586 8.771 1.00 0.45 H new ATOM 0 HB3 ARG A 82 149.283 8.961 8.009 1.00 0.45 H new ATOM 0 HG2 ARG A 82 151.267 8.704 9.495 1.00 0.81 H new ATOM 0 HG3 ARG A 82 150.488 7.381 10.340 1.00 0.81 H new ATOM 0 HD2 ARG A 82 150.491 5.982 8.310 1.00 1.41 H new ATOM 0 HD3 ARG A 82 151.005 7.329 7.314 1.00 1.41 H new ATOM 0 HE ARG A 82 152.930 7.152 9.445 1.00 1.78 H new ATOM 0 HH11 ARG A 82 151.644 5.222 6.825 1.00 2.99 H new ATOM 0 HH12 ARG A 82 153.158 4.350 6.560 1.00 2.99 H new ATOM 0 HH21 ARG A 82 154.870 6.044 9.092 1.00 2.79 H new ATOM 0 HH22 ARG A 82 154.966 4.810 7.830 1.00 2.79 H new ATOM 1351 N THR A 83 147.642 11.307 9.009 1.00 0.35 N ATOM 1352 CA THR A 83 146.481 12.136 8.574 1.00 0.34 C ATOM 1353 C THR A 83 146.306 12.058 7.056 1.00 0.32 C ATOM 1354 O THR A 83 147.267 12.039 6.310 1.00 0.36 O ATOM 1355 CB THR A 83 146.826 13.555 9.026 1.00 0.40 C ATOM 1356 OG1 THR A 83 146.398 13.737 10.369 1.00 0.49 O ATOM 1357 CG2 THR A 83 146.134 14.582 8.125 1.00 0.49 C ATOM 0 H THR A 83 148.559 11.737 8.886 1.00 0.35 H new ATOM 0 HA THR A 83 145.538 11.796 9.003 1.00 0.34 H new ATOM 0 HB THR A 83 147.905 13.698 8.959 1.00 0.40 H new ATOM 0 HG1 THR A 83 146.619 14.645 10.663 1.00 0.49 H new ATOM 0 HG21 THR A 83 146.388 15.588 8.458 1.00 0.49 H new ATOM 0 HG22 THR A 83 146.466 14.446 7.096 1.00 0.49 H new ATOM 0 HG23 THR A 83 145.054 14.444 8.179 1.00 0.49 H new ATOM 1365 N PHE A 84 145.080 12.120 6.601 1.00 0.33 N ATOM 1366 CA PHE A 84 144.808 12.165 5.133 1.00 0.36 C ATOM 1367 C PHE A 84 143.900 13.353 4.844 1.00 0.36 C ATOM 1368 O PHE A 84 143.022 13.660 5.611 1.00 0.41 O ATOM 1369 CB PHE A 84 144.070 10.861 4.803 1.00 0.45 C ATOM 1370 CG PHE A 84 145.011 9.676 4.838 1.00 0.39 C ATOM 1371 CD1 PHE A 84 146.399 9.863 4.784 1.00 0.74 C ATOM 1372 CD2 PHE A 84 144.484 8.380 4.920 1.00 0.99 C ATOM 1373 CE1 PHE A 84 147.256 8.757 4.812 1.00 0.75 C ATOM 1374 CE2 PHE A 84 145.342 7.274 4.948 1.00 1.23 C ATOM 1375 CZ PHE A 84 146.728 7.462 4.895 1.00 0.84 C ATOM 0 H PHE A 84 144.248 12.142 7.191 1.00 0.33 H new ATOM 0 HA PHE A 84 145.720 12.267 4.544 1.00 0.36 H new ATOM 0 HB2 PHE A 84 143.261 10.707 5.517 1.00 0.45 H new ATOM 0 HB3 PHE A 84 143.614 10.938 3.816 1.00 0.45 H new ATOM 0 HD1 PHE A 84 146.807 10.861 4.721 1.00 0.74 H new ATOM 0 HD2 PHE A 84 143.415 8.234 4.962 1.00 0.99 H new ATOM 0 HE1 PHE A 84 148.325 8.902 4.770 1.00 0.75 H new ATOM 0 HE2 PHE A 84 144.934 6.276 5.010 1.00 1.23 H new ATOM 0 HZ PHE A 84 147.390 6.609 4.918 1.00 0.84 H new ATOM 1385 N VAL A 85 144.090 14.028 3.756 1.00 0.33 N ATOM 1386 CA VAL A 85 143.208 15.189 3.465 1.00 0.35 C ATOM 1387 C VAL A 85 142.865 15.217 1.976 1.00 0.33 C ATOM 1388 O VAL A 85 143.718 15.006 1.143 1.00 0.32 O ATOM 1389 CB VAL A 85 144.033 16.406 3.879 1.00 0.38 C ATOM 1390 CG1 VAL A 85 145.415 16.332 3.231 1.00 0.38 C ATOM 1391 CG2 VAL A 85 143.320 17.682 3.438 1.00 0.42 C ATOM 0 H VAL A 85 144.809 13.833 3.059 1.00 0.33 H new ATOM 0 HA VAL A 85 142.257 15.153 3.996 1.00 0.35 H new ATOM 0 HB VAL A 85 144.146 16.416 4.963 1.00 0.38 H new ATOM 0 HG11 VAL A 85 146.003 17.201 3.527 1.00 0.38 H new ATOM 0 HG12 VAL A 85 145.921 15.423 3.557 1.00 0.38 H new ATOM 0 HG13 VAL A 85 145.308 16.319 2.146 1.00 0.38 H new ATOM 0 HG21 VAL A 85 143.910 18.549 3.734 1.00 0.42 H new ATOM 0 HG22 VAL A 85 143.201 17.677 2.354 1.00 0.42 H new ATOM 0 HG23 VAL A 85 142.339 17.732 3.910 1.00 0.42 H new ATOM 1401 N PRO A 86 141.616 15.463 1.688 1.00 0.36 N ATOM 1402 CA PRO A 86 141.158 15.487 0.277 1.00 0.37 C ATOM 1403 C PRO A 86 141.834 16.613 -0.505 1.00 0.38 C ATOM 1404 O PRO A 86 142.096 17.680 0.014 1.00 0.42 O ATOM 1405 CB PRO A 86 139.653 15.710 0.392 1.00 0.44 C ATOM 1406 CG PRO A 86 139.471 16.355 1.727 1.00 0.47 C ATOM 1407 CD PRO A 86 140.523 15.753 2.621 1.00 0.41 C ATOM 0 HA PRO A 86 141.406 14.574 -0.265 1.00 0.37 H new ATOM 0 HB2 PRO A 86 139.284 16.348 -0.411 1.00 0.44 H new ATOM 0 HB3 PRO A 86 139.106 14.769 0.328 1.00 0.44 H new ATOM 0 HG2 PRO A 86 139.589 17.436 1.658 1.00 0.47 H new ATOM 0 HG3 PRO A 86 138.471 16.168 2.119 1.00 0.47 H new ATOM 0 HD2 PRO A 86 140.833 16.445 3.404 1.00 0.41 H new ATOM 0 HD3 PRO A 86 140.164 14.851 3.117 1.00 0.41 H new ATOM 1415 N GLY A 87 142.208 16.337 -1.723 1.00 0.38 N ATOM 1416 CA GLY A 87 142.971 17.335 -2.518 1.00 0.43 C ATOM 1417 C GLY A 87 142.093 18.548 -2.791 1.00 0.49 C ATOM 1418 O GLY A 87 142.028 19.479 -2.013 1.00 0.53 O ATOM 0 H GLY A 87 142.016 15.458 -2.203 1.00 0.38 H new ATOM 0 HA2 GLY A 87 143.868 17.637 -1.977 1.00 0.43 H new ATOM 0 HA3 GLY A 87 143.299 16.892 -3.458 1.00 0.43 H new ATOM 1422 N CYS A 88 141.367 18.501 -3.863 1.00 0.51 N ATOM 1423 CA CYS A 88 140.418 19.607 -4.184 1.00 0.59 C ATOM 1424 C CYS A 88 138.987 19.107 -4.028 1.00 0.62 C ATOM 1425 O CYS A 88 138.055 19.866 -3.849 1.00 0.69 O ATOM 1426 CB CYS A 88 140.709 19.965 -5.642 1.00 0.61 C ATOM 1427 SG CYS A 88 142.473 20.320 -5.834 1.00 0.71 S ATOM 0 H CYS A 88 141.386 17.739 -4.541 1.00 0.51 H new ATOM 0 HA CYS A 88 140.535 20.469 -3.527 1.00 0.59 H new ATOM 0 HB2 CYS A 88 140.419 19.142 -6.295 1.00 0.61 H new ATOM 0 HB3 CYS A 88 140.118 20.831 -5.940 1.00 0.61 H new ATOM 0 HG CYS A 88 142.722 20.622 -7.074 1.00 0.71 H new ATOM 1433 N GLN A 89 138.815 17.834 -4.175 1.00 0.63 N ATOM 1434 CA GLN A 89 137.462 17.238 -4.136 1.00 0.70 C ATOM 1435 C GLN A 89 137.531 15.831 -3.553 1.00 0.65 C ATOM 1436 O GLN A 89 138.598 15.332 -3.251 1.00 0.56 O ATOM 1437 CB GLN A 89 137.007 17.199 -5.591 1.00 0.75 C ATOM 1438 CG GLN A 89 138.214 17.115 -6.530 1.00 0.72 C ATOM 1439 CD GLN A 89 137.740 16.761 -7.940 1.00 0.94 C ATOM 1440 OE1 GLN A 89 137.451 17.634 -8.734 1.00 1.65 O ATOM 1441 NE2 GLN A 89 137.645 15.507 -8.287 1.00 1.34 N ATOM 0 H GLN A 89 139.571 17.166 -4.324 1.00 0.63 H new ATOM 0 HA GLN A 89 136.772 17.807 -3.512 1.00 0.70 H new ATOM 0 HB2 GLN A 89 136.354 16.341 -5.751 1.00 0.75 H new ATOM 0 HB3 GLN A 89 136.423 18.091 -5.819 1.00 0.75 H new ATOM 0 HG2 GLN A 89 138.746 18.066 -6.542 1.00 0.72 H new ATOM 0 HG3 GLN A 89 138.916 16.362 -6.171 1.00 0.72 H new ATOM 0 HE21 GLN A 89 137.888 14.774 -7.621 1.00 1.34 H new ATOM 0 HE22 GLN A 89 137.328 15.260 -9.225 1.00 1.34 H new ATOM 1450 N PRO A 90 136.385 15.240 -3.411 1.00 0.72 N ATOM 1451 CA PRO A 90 136.308 13.877 -2.851 1.00 0.71 C ATOM 1452 C PRO A 90 136.776 12.851 -3.882 1.00 0.69 C ATOM 1453 O PRO A 90 136.558 13.001 -5.068 1.00 0.73 O ATOM 1454 CB PRO A 90 134.832 13.706 -2.523 1.00 0.82 C ATOM 1455 CG PRO A 90 134.110 14.663 -3.422 1.00 0.88 C ATOM 1456 CD PRO A 90 135.070 15.777 -3.768 1.00 0.83 C ATOM 0 HA PRO A 90 136.944 13.731 -1.978 1.00 0.71 H new ATOM 0 HB2 PRO A 90 134.507 12.681 -2.699 1.00 0.82 H new ATOM 0 HB3 PRO A 90 134.635 13.927 -1.474 1.00 0.82 H new ATOM 0 HG2 PRO A 90 133.769 14.157 -4.325 1.00 0.88 H new ATOM 0 HG3 PRO A 90 133.225 15.061 -2.926 1.00 0.88 H new ATOM 0 HD2 PRO A 90 135.018 16.033 -4.826 1.00 0.83 H new ATOM 0 HD3 PRO A 90 134.845 16.685 -3.209 1.00 0.83 H new ATOM 1464 N GLY A 91 137.529 11.879 -3.451 1.00 0.65 N ATOM 1465 CA GLY A 91 138.142 10.929 -4.418 1.00 0.67 C ATOM 1466 C GLY A 91 139.656 11.145 -4.441 1.00 0.58 C ATOM 1467 O GLY A 91 140.415 10.251 -4.758 1.00 0.61 O ATOM 0 H GLY A 91 137.746 11.702 -2.470 1.00 0.65 H new ATOM 0 HA2 GLY A 91 137.913 9.902 -4.133 1.00 0.67 H new ATOM 0 HA3 GLY A 91 137.725 11.084 -5.413 1.00 0.67 H new ATOM 1471 N GLU A 92 140.105 12.320 -4.084 1.00 0.51 N ATOM 1472 CA GLU A 92 141.574 12.573 -4.061 1.00 0.45 C ATOM 1473 C GLU A 92 142.000 13.123 -2.701 1.00 0.39 C ATOM 1474 O GLU A 92 141.436 14.076 -2.205 1.00 0.40 O ATOM 1475 CB GLU A 92 141.819 13.612 -5.154 1.00 0.47 C ATOM 1476 CG GLU A 92 143.308 13.961 -5.195 1.00 1.24 C ATOM 1477 CD GLU A 92 143.561 15.002 -6.286 1.00 1.21 C ATOM 1478 OE1 GLU A 92 142.648 15.263 -7.051 1.00 1.75 O ATOM 1479 OE2 GLU A 92 144.666 15.517 -6.341 1.00 1.42 O ATOM 0 H GLU A 92 139.521 13.110 -3.809 1.00 0.51 H new ATOM 0 HA GLU A 92 142.146 11.661 -4.228 1.00 0.45 H new ATOM 0 HB2 GLU A 92 141.498 13.223 -6.120 1.00 0.47 H new ATOM 0 HB3 GLU A 92 141.229 14.508 -4.959 1.00 0.47 H new ATOM 0 HG2 GLU A 92 143.628 14.348 -4.228 1.00 1.24 H new ATOM 0 HG3 GLU A 92 143.897 13.065 -5.390 1.00 1.24 H new ATOM 1486 N PHE A 93 143.016 12.552 -2.111 1.00 0.36 N ATOM 1487 CA PHE A 93 143.502 13.072 -0.803 1.00 0.32 C ATOM 1488 C PHE A 93 145.032 13.079 -0.792 1.00 0.30 C ATOM 1489 O PHE A 93 145.666 12.437 -1.595 1.00 0.32 O ATOM 1490 CB PHE A 93 142.974 12.096 0.253 1.00 0.34 C ATOM 1491 CG PHE A 93 141.522 11.765 -0.017 1.00 0.40 C ATOM 1492 CD1 PHE A 93 141.170 10.988 -1.130 1.00 0.44 C ATOM 1493 CD2 PHE A 93 140.525 12.234 0.849 1.00 0.44 C ATOM 1494 CE1 PHE A 93 139.826 10.684 -1.377 1.00 0.52 C ATOM 1495 CE2 PHE A 93 139.180 11.929 0.600 1.00 0.52 C ATOM 1496 CZ PHE A 93 138.831 11.155 -0.512 1.00 0.55 C ATOM 0 H PHE A 93 143.528 11.750 -2.478 1.00 0.36 H new ATOM 0 HA PHE A 93 143.161 14.090 -0.614 1.00 0.32 H new ATOM 0 HB2 PHE A 93 143.570 11.183 0.245 1.00 0.34 H new ATOM 0 HB3 PHE A 93 143.076 12.534 1.246 1.00 0.34 H new ATOM 0 HD1 PHE A 93 141.937 10.624 -1.798 1.00 0.44 H new ATOM 0 HD2 PHE A 93 140.793 12.831 1.708 1.00 0.44 H new ATOM 0 HE1 PHE A 93 139.557 10.086 -2.235 1.00 0.52 H new ATOM 0 HE2 PHE A 93 138.412 12.292 1.267 1.00 0.52 H new ATOM 0 HZ PHE A 93 137.794 10.921 -0.703 1.00 0.55 H new ATOM 1506 N THR A 94 145.622 13.705 0.176 1.00 0.29 N ATOM 1507 CA THR A 94 147.104 13.636 0.313 1.00 0.30 C ATOM 1508 C THR A 94 147.474 13.297 1.753 1.00 0.28 C ATOM 1509 O THR A 94 146.635 13.273 2.631 1.00 0.35 O ATOM 1510 CB THR A 94 147.644 15.021 -0.069 1.00 0.34 C ATOM 1511 OG1 THR A 94 148.719 15.356 0.797 1.00 0.42 O ATOM 1512 CG2 THR A 94 146.547 16.083 0.046 1.00 0.37 C ATOM 0 H THR A 94 145.146 14.265 0.883 1.00 0.29 H new ATOM 0 HA THR A 94 147.529 12.864 -0.328 1.00 0.30 H new ATOM 0 HB THR A 94 147.989 14.991 -1.103 1.00 0.34 H new ATOM 0 HG1 THR A 94 149.069 16.239 0.557 1.00 0.42 H new ATOM 0 HG21 THR A 94 146.953 17.056 -0.230 1.00 0.37 H new ATOM 0 HG22 THR A 94 145.724 15.830 -0.623 1.00 0.37 H new ATOM 0 HG23 THR A 94 146.182 16.119 1.072 1.00 0.37 H new ATOM 1520 N LEU A 95 148.718 13.002 1.994 1.00 0.28 N ATOM 1521 CA LEU A 95 149.142 12.619 3.372 1.00 0.29 C ATOM 1522 C LEU A 95 150.134 13.635 3.931 1.00 0.32 C ATOM 1523 O LEU A 95 151.047 14.062 3.253 1.00 0.34 O ATOM 1524 CB LEU A 95 149.829 11.261 3.226 1.00 0.33 C ATOM 1525 CG LEU A 95 150.808 11.068 4.385 1.00 0.39 C ATOM 1526 CD1 LEU A 95 150.898 9.587 4.755 1.00 0.46 C ATOM 1527 CD2 LEU A 95 152.181 11.585 3.956 1.00 0.45 C ATOM 0 H LEU A 95 149.463 13.009 1.297 1.00 0.28 H new ATOM 0 HA LEU A 95 148.292 12.583 4.053 1.00 0.29 H new ATOM 0 HB2 LEU A 95 149.087 10.463 3.224 1.00 0.33 H new ATOM 0 HB3 LEU A 95 150.358 11.207 2.274 1.00 0.33 H new ATOM 0 HG LEU A 95 150.461 11.620 5.258 1.00 0.39 H new ATOM 0 HD11 LEU A 95 151.598 9.460 5.581 1.00 0.46 H new ATOM 0 HD12 LEU A 95 149.914 9.226 5.054 1.00 0.46 H new ATOM 0 HD13 LEU A 95 151.247 9.017 3.894 1.00 0.46 H new ATOM 0 HD21 LEU A 95 152.891 11.454 4.773 1.00 0.45 H new ATOM 0 HD22 LEU A 95 152.524 11.027 3.085 1.00 0.45 H new ATOM 0 HD23 LEU A 95 152.109 12.643 3.704 1.00 0.45 H new ATOM 1539 N GLY A 96 150.060 13.896 5.204 1.00 0.36 N ATOM 1540 CA GLY A 96 151.113 14.731 5.840 1.00 0.42 C ATOM 1541 C GLY A 96 150.931 16.193 5.456 1.00 0.44 C ATOM 1542 O GLY A 96 149.847 16.741 5.509 1.00 0.47 O ATOM 0 H GLY A 96 149.322 13.570 5.828 1.00 0.36 H new ATOM 0 HA2 GLY A 96 151.066 14.624 6.924 1.00 0.42 H new ATOM 0 HA3 GLY A 96 152.099 14.386 5.528 1.00 0.42 H new ATOM 1546 N ASN A 97 151.969 16.777 4.948 1.00 0.45 N ATOM 1547 CA ASN A 97 151.885 18.149 4.406 1.00 0.50 C ATOM 1548 C ASN A 97 152.935 18.275 3.318 1.00 0.50 C ATOM 1549 O ASN A 97 153.923 18.966 3.470 1.00 0.62 O ATOM 1550 CB ASN A 97 152.201 19.079 5.575 1.00 0.58 C ATOM 1551 CG ASN A 97 150.913 19.429 6.320 1.00 0.61 C ATOM 1552 OD1 ASN A 97 150.314 18.583 6.954 1.00 1.20 O ATOM 1553 ND2 ASN A 97 150.461 20.651 6.273 1.00 1.30 N ATOM 0 H ASN A 97 152.893 16.350 4.885 1.00 0.45 H new ATOM 0 HA ASN A 97 150.910 18.390 3.982 1.00 0.50 H new ATOM 0 HB2 ASN A 97 152.906 18.599 6.254 1.00 0.58 H new ATOM 0 HB3 ASN A 97 152.679 19.988 5.210 1.00 0.58 H new ATOM 0 HD21 ASN A 97 149.604 20.897 6.769 1.00 1.30 H new ATOM 0 HD22 ASN A 97 150.964 21.361 5.741 1.00 1.30 H new ATOM 1560 N ILE A 98 152.859 17.403 2.358 1.00 0.44 N ATOM 1561 CA ILE A 98 153.998 17.247 1.422 1.00 0.48 C ATOM 1562 C ILE A 98 154.356 18.598 0.809 1.00 0.57 C ATOM 1563 O ILE A 98 155.479 18.830 0.406 1.00 0.97 O ATOM 1564 CB ILE A 98 153.496 16.275 0.357 1.00 0.45 C ATOM 1565 CG1 ILE A 98 154.467 16.274 -0.831 1.00 0.52 C ATOM 1566 CG2 ILE A 98 152.096 16.689 -0.103 1.00 0.50 C ATOM 1567 CD1 ILE A 98 154.165 17.449 -1.767 1.00 0.53 C ATOM 0 H ILE A 98 152.060 16.794 2.182 1.00 0.44 H new ATOM 0 HA ILE A 98 154.899 16.877 1.911 1.00 0.48 H new ATOM 0 HB ILE A 98 153.444 15.270 0.775 1.00 0.45 H new ATOM 0 HG12 ILE A 98 155.493 16.342 -0.470 1.00 0.52 H new ATOM 0 HG13 ILE A 98 154.383 15.334 -1.377 1.00 0.52 H new ATOM 0 HG21 ILE A 98 151.742 15.992 -0.863 1.00 0.50 H new ATOM 0 HG22 ILE A 98 151.415 16.675 0.748 1.00 0.50 H new ATOM 0 HG23 ILE A 98 152.133 17.695 -0.522 1.00 0.50 H new ATOM 0 HD11 ILE A 98 154.862 17.435 -2.605 1.00 0.53 H new ATOM 0 HD12 ILE A 98 153.145 17.363 -2.142 1.00 0.53 H new ATOM 0 HD13 ILE A 98 154.273 18.386 -1.221 1.00 0.53 H new ATOM 1579 N LYS A 99 153.450 19.532 0.858 1.00 0.70 N ATOM 1580 CA LYS A 99 153.782 20.905 0.420 1.00 0.76 C ATOM 1581 C LYS A 99 154.773 21.534 1.406 1.00 0.82 C ATOM 1582 O LYS A 99 155.703 22.217 1.023 1.00 0.91 O ATOM 1583 CB LYS A 99 152.447 21.646 0.456 1.00 0.79 C ATOM 1584 CG LYS A 99 152.408 22.673 -0.668 1.00 1.68 C ATOM 1585 CD LYS A 99 151.082 23.435 -0.622 1.00 1.86 C ATOM 1586 CE LYS A 99 150.945 24.292 -1.883 1.00 2.70 C ATOM 1587 NZ LYS A 99 152.012 25.327 -1.768 1.00 2.97 N ATOM 0 H LYS A 99 152.493 19.399 1.184 1.00 0.70 H new ATOM 0 HA LYS A 99 154.245 20.939 -0.566 1.00 0.76 H new ATOM 0 HB2 LYS A 99 151.624 20.940 0.347 1.00 0.79 H new ATOM 0 HB3 LYS A 99 152.318 22.140 1.419 1.00 0.79 H new ATOM 0 HG2 LYS A 99 153.242 23.368 -0.568 1.00 1.68 H new ATOM 0 HG3 LYS A 99 152.520 22.176 -1.632 1.00 1.68 H new ATOM 0 HD2 LYS A 99 150.250 22.735 -0.552 1.00 1.86 H new ATOM 0 HD3 LYS A 99 151.043 24.066 0.266 1.00 1.86 H new ATOM 0 HE2 LYS A 99 151.074 23.692 -2.783 1.00 2.70 H new ATOM 0 HE3 LYS A 99 149.957 24.749 -1.943 1.00 2.70 H new ATOM 0 HZ1 LYS A 99 151.783 26.132 -2.386 1.00 2.97 H new ATOM 0 HZ2 LYS A 99 152.074 25.654 -0.783 1.00 2.97 H new ATOM 0 HZ3 LYS A 99 152.924 24.919 -2.055 1.00 2.97 H new ATOM 1601 N SER A 100 154.549 21.338 2.678 1.00 0.80 N ATOM 1602 CA SER A 100 155.433 21.951 3.707 1.00 0.90 C ATOM 1603 C SER A 100 156.545 20.984 4.127 1.00 0.87 C ATOM 1604 O SER A 100 157.244 21.224 5.091 1.00 0.93 O ATOM 1605 CB SER A 100 154.513 22.241 4.892 1.00 0.96 C ATOM 1606 OG SER A 100 153.686 23.355 4.583 1.00 1.65 O ATOM 0 H SER A 100 153.784 20.774 3.049 1.00 0.80 H new ATOM 0 HA SER A 100 155.927 22.847 3.331 1.00 0.90 H new ATOM 0 HB2 SER A 100 153.899 21.368 5.113 1.00 0.96 H new ATOM 0 HB3 SER A 100 155.104 22.449 5.784 1.00 0.96 H new ATOM 0 HG SER A 100 153.093 23.543 5.341 1.00 1.65 H new ATOM 1612 N TYR A 101 156.566 19.806 3.569 1.00 0.78 N ATOM 1613 CA TYR A 101 157.452 18.747 4.126 1.00 0.77 C ATOM 1614 C TYR A 101 158.818 18.744 3.432 1.00 0.81 C ATOM 1615 O TYR A 101 158.936 19.092 2.274 1.00 0.85 O ATOM 1616 CB TYR A 101 156.712 17.437 3.868 1.00 0.67 C ATOM 1617 CG TYR A 101 156.053 16.976 5.147 1.00 0.66 C ATOM 1618 CD1 TYR A 101 155.292 17.874 5.906 1.00 0.72 C ATOM 1619 CD2 TYR A 101 156.212 15.654 5.581 1.00 0.66 C ATOM 1620 CE1 TYR A 101 154.689 17.449 7.097 1.00 0.75 C ATOM 1621 CE2 TYR A 101 155.611 15.230 6.773 1.00 0.69 C ATOM 1622 CZ TYR A 101 154.849 16.128 7.531 1.00 0.71 C ATOM 1623 OH TYR A 101 154.255 15.710 8.704 1.00 0.77 O ATOM 0 H TYR A 101 156.012 19.532 2.757 1.00 0.78 H new ATOM 0 HA TYR A 101 157.652 18.905 5.186 1.00 0.77 H new ATOM 0 HB2 TYR A 101 155.963 17.577 3.089 1.00 0.67 H new ATOM 0 HB3 TYR A 101 157.407 16.678 3.509 1.00 0.67 H new ATOM 0 HD1 TYR A 101 155.170 18.894 5.573 1.00 0.72 H new ATOM 0 HD2 TYR A 101 156.798 14.961 4.996 1.00 0.66 H new ATOM 0 HE1 TYR A 101 154.100 18.141 7.681 1.00 0.75 H new ATOM 0 HE2 TYR A 101 155.735 14.211 7.108 1.00 0.69 H new ATOM 0 HH TYR A 101 154.465 14.765 8.858 1.00 0.77 H new ATOM 1633 N PRO A 102 159.806 18.353 4.191 1.00 0.83 N ATOM 1634 CA PRO A 102 161.200 18.300 3.684 1.00 0.89 C ATOM 1635 C PRO A 102 161.430 17.090 2.786 1.00 0.82 C ATOM 1636 O PRO A 102 161.598 17.206 1.588 1.00 0.82 O ATOM 1637 CB PRO A 102 162.034 18.174 4.956 1.00 0.96 C ATOM 1638 CG PRO A 102 161.120 17.575 5.981 1.00 0.91 C ATOM 1639 CD PRO A 102 159.708 17.928 5.591 1.00 0.83 C ATOM 0 HA PRO A 102 161.450 19.170 3.077 1.00 0.89 H new ATOM 0 HB2 PRO A 102 162.906 17.541 4.791 1.00 0.96 H new ATOM 0 HB3 PRO A 102 162.403 19.147 5.281 1.00 0.96 H new ATOM 0 HG2 PRO A 102 161.247 16.493 6.022 1.00 0.91 H new ATOM 0 HG3 PRO A 102 161.352 17.961 6.974 1.00 0.91 H new ATOM 0 HD2 PRO A 102 159.041 17.073 5.700 1.00 0.83 H new ATOM 0 HD3 PRO A 102 159.310 18.724 6.220 1.00 0.83 H new ATOM 1647 N GLY A 103 161.573 15.954 3.385 1.00 0.78 N ATOM 1648 CA GLY A 103 161.954 14.734 2.615 1.00 0.75 C ATOM 1649 C GLY A 103 160.712 14.015 2.087 1.00 0.68 C ATOM 1650 O GLY A 103 160.810 13.014 1.406 1.00 0.68 O ATOM 0 H GLY A 103 161.443 15.808 4.386 1.00 0.78 H new ATOM 0 HA2 GLY A 103 162.601 15.011 1.782 1.00 0.75 H new ATOM 0 HA3 GLY A 103 162.526 14.060 3.253 1.00 0.75 H new ATOM 1654 N LEU A 104 159.558 14.586 2.272 1.00 0.64 N ATOM 1655 CA LEU A 104 158.341 14.003 1.639 1.00 0.58 C ATOM 1656 C LEU A 104 158.004 14.797 0.374 1.00 0.53 C ATOM 1657 O LEU A 104 158.037 16.012 0.378 1.00 0.58 O ATOM 1658 CB LEU A 104 157.237 14.141 2.689 1.00 0.63 C ATOM 1659 CG LEU A 104 156.111 13.148 2.389 1.00 0.58 C ATOM 1660 CD1 LEU A 104 155.803 12.333 3.646 1.00 0.95 C ATOM 1661 CD2 LEU A 104 154.856 13.913 1.964 1.00 0.58 C ATOM 0 H LEU A 104 159.402 15.426 2.830 1.00 0.64 H new ATOM 0 HA LEU A 104 158.471 12.962 1.343 1.00 0.58 H new ATOM 0 HB2 LEU A 104 157.643 13.956 3.684 1.00 0.63 H new ATOM 0 HB3 LEU A 104 156.847 15.159 2.689 1.00 0.63 H new ATOM 0 HG LEU A 104 156.422 12.480 1.586 1.00 0.58 H new ATOM 0 HD11 LEU A 104 155.001 11.626 3.434 1.00 0.95 H new ATOM 0 HD12 LEU A 104 156.695 11.788 3.954 1.00 0.95 H new ATOM 0 HD13 LEU A 104 155.492 13.003 4.447 1.00 0.95 H new ATOM 0 HD21 LEU A 104 154.054 13.206 1.750 1.00 0.58 H new ATOM 0 HD22 LEU A 104 154.547 14.580 2.768 1.00 0.58 H new ATOM 0 HD23 LEU A 104 155.072 14.498 1.070 1.00 0.58 H new ATOM 1673 N THR A 105 157.933 14.136 -0.749 1.00 0.53 N ATOM 1674 CA THR A 105 157.893 14.889 -2.034 1.00 0.57 C ATOM 1675 C THR A 105 156.470 14.977 -2.606 1.00 0.52 C ATOM 1676 O THR A 105 156.050 16.024 -3.058 1.00 0.57 O ATOM 1677 CB THR A 105 158.816 14.101 -2.966 1.00 0.69 C ATOM 1678 OG1 THR A 105 160.155 14.219 -2.507 1.00 1.29 O ATOM 1679 CG2 THR A 105 158.715 14.652 -4.386 1.00 0.66 C ATOM 0 H THR A 105 157.901 13.120 -0.833 1.00 0.53 H new ATOM 0 HA THR A 105 158.211 15.924 -1.906 1.00 0.57 H new ATOM 0 HB THR A 105 158.517 13.053 -2.968 1.00 0.69 H new ATOM 0 HG1 THR A 105 160.382 15.166 -2.400 1.00 1.29 H new ATOM 0 HG21 THR A 105 159.375 14.086 -5.044 1.00 0.66 H new ATOM 0 HG22 THR A 105 157.687 14.563 -4.739 1.00 0.66 H new ATOM 0 HG23 THR A 105 159.010 15.701 -4.391 1.00 0.66 H new ATOM 1687 N SER A 106 155.738 13.895 -2.646 1.00 0.48 N ATOM 1688 CA SER A 106 154.380 13.953 -3.258 1.00 0.49 C ATOM 1689 C SER A 106 153.533 12.785 -2.765 1.00 0.46 C ATOM 1690 O SER A 106 153.777 11.650 -3.108 1.00 0.54 O ATOM 1691 CB SER A 106 154.618 13.836 -4.762 1.00 0.57 C ATOM 1692 OG SER A 106 154.795 15.135 -5.313 1.00 1.32 O ATOM 0 H SER A 106 156.018 12.983 -2.285 1.00 0.48 H new ATOM 0 HA SER A 106 153.849 14.869 -2.997 1.00 0.49 H new ATOM 0 HB2 SER A 106 155.498 13.223 -4.956 1.00 0.57 H new ATOM 0 HB3 SER A 106 153.773 13.339 -5.238 1.00 0.57 H new ATOM 0 HG SER A 106 155.183 15.728 -4.636 1.00 1.32 H new ATOM 1698 N TYR A 107 152.569 13.046 -1.931 1.00 0.50 N ATOM 1699 CA TYR A 107 151.744 11.934 -1.376 1.00 0.47 C ATOM 1700 C TYR A 107 150.279 12.101 -1.798 1.00 0.46 C ATOM 1701 O TYR A 107 149.565 12.930 -1.271 1.00 0.49 O ATOM 1702 CB TYR A 107 151.884 12.075 0.139 1.00 0.45 C ATOM 1703 CG TYR A 107 152.146 10.721 0.751 1.00 0.53 C ATOM 1704 CD1 TYR A 107 151.175 9.714 0.674 1.00 0.62 C ATOM 1705 CD2 TYR A 107 153.365 10.471 1.392 1.00 0.71 C ATOM 1706 CE1 TYR A 107 151.425 8.457 1.240 1.00 0.80 C ATOM 1707 CE2 TYR A 107 153.614 9.214 1.958 1.00 0.86 C ATOM 1708 CZ TYR A 107 152.644 8.208 1.882 1.00 0.88 C ATOM 1709 OH TYR A 107 152.890 6.969 2.440 1.00 1.09 O ATOM 0 H TYR A 107 152.314 13.979 -1.608 1.00 0.50 H new ATOM 0 HA TYR A 107 152.065 10.955 -1.732 1.00 0.47 H new ATOM 0 HB2 TYR A 107 152.700 12.757 0.377 1.00 0.45 H new ATOM 0 HB3 TYR A 107 150.976 12.506 0.560 1.00 0.45 H new ATOM 0 HD1 TYR A 107 150.235 9.907 0.179 1.00 0.62 H new ATOM 0 HD2 TYR A 107 154.114 11.247 1.450 1.00 0.71 H new ATOM 0 HE1 TYR A 107 150.677 7.680 1.181 1.00 0.80 H new ATOM 0 HE2 TYR A 107 154.554 9.021 2.453 1.00 0.86 H new ATOM 0 HH TYR A 107 153.782 6.964 2.845 1.00 1.09 H new ATOM 1719 N LEU A 108 149.819 11.307 -2.728 1.00 0.44 N ATOM 1720 CA LEU A 108 148.394 11.414 -3.160 1.00 0.44 C ATOM 1721 C LEU A 108 147.663 10.095 -2.893 1.00 0.43 C ATOM 1722 O LEU A 108 148.184 9.024 -3.134 1.00 0.45 O ATOM 1723 CB LEU A 108 148.454 11.709 -4.663 1.00 0.49 C ATOM 1724 CG LEU A 108 147.052 12.030 -5.202 1.00 0.50 C ATOM 1725 CD1 LEU A 108 146.270 10.731 -5.405 1.00 0.74 C ATOM 1726 CD2 LEU A 108 146.298 12.928 -4.214 1.00 0.88 C ATOM 0 H LEU A 108 150.366 10.591 -3.206 1.00 0.44 H new ATOM 0 HA LEU A 108 147.853 12.190 -2.618 1.00 0.44 H new ATOM 0 HB2 LEU A 108 149.123 12.549 -4.849 1.00 0.49 H new ATOM 0 HB3 LEU A 108 148.866 10.850 -5.192 1.00 0.49 H new ATOM 0 HG LEU A 108 147.151 12.551 -6.154 1.00 0.50 H new ATOM 0 HD11 LEU A 108 145.276 10.961 -5.787 1.00 0.74 H new ATOM 0 HD12 LEU A 108 146.796 10.098 -6.119 1.00 0.74 H new ATOM 0 HD13 LEU A 108 146.181 10.208 -4.453 1.00 0.74 H new ATOM 0 HD21 LEU A 108 145.306 13.149 -4.607 1.00 0.88 H new ATOM 0 HD22 LEU A 108 146.203 12.416 -3.256 1.00 0.88 H new ATOM 0 HD23 LEU A 108 146.848 13.859 -4.075 1.00 0.88 H new ATOM 1738 N VAL A 109 146.465 10.168 -2.383 1.00 0.41 N ATOM 1739 CA VAL A 109 145.694 8.930 -2.079 1.00 0.41 C ATOM 1740 C VAL A 109 144.367 8.951 -2.835 1.00 0.43 C ATOM 1741 O VAL A 109 143.646 9.929 -2.815 1.00 0.49 O ATOM 1742 CB VAL A 109 145.442 8.977 -0.574 1.00 0.41 C ATOM 1743 CG1 VAL A 109 144.925 7.618 -0.099 1.00 0.50 C ATOM 1744 CG2 VAL A 109 146.745 9.312 0.147 1.00 0.42 C ATOM 0 H VAL A 109 145.983 11.039 -2.162 1.00 0.41 H new ATOM 0 HA VAL A 109 146.227 8.026 -2.375 1.00 0.41 H new ATOM 0 HB VAL A 109 144.698 9.742 -0.352 1.00 0.41 H new ATOM 0 HG11 VAL A 109 144.745 7.652 0.976 1.00 0.50 H new ATOM 0 HG12 VAL A 109 143.994 7.382 -0.615 1.00 0.50 H new ATOM 0 HG13 VAL A 109 145.666 6.850 -0.318 1.00 0.50 H new ATOM 0 HG21 VAL A 109 146.568 9.346 1.222 1.00 0.42 H new ATOM 0 HG22 VAL A 109 147.490 8.548 -0.074 1.00 0.42 H new ATOM 0 HG23 VAL A 109 147.109 10.282 -0.192 1.00 0.42 H new ATOM 1754 N ARG A 110 144.001 7.858 -3.435 1.00 0.42 N ATOM 1755 CA ARG A 110 142.678 7.795 -4.111 1.00 0.46 C ATOM 1756 C ARG A 110 142.102 6.388 -3.991 1.00 0.43 C ATOM 1757 O ARG A 110 142.486 5.491 -4.714 1.00 0.42 O ATOM 1758 CB ARG A 110 142.953 8.130 -5.578 1.00 0.52 C ATOM 1759 CG ARG A 110 141.685 7.884 -6.398 1.00 0.56 C ATOM 1760 CD ARG A 110 141.988 8.067 -7.887 1.00 0.86 C ATOM 1761 NE ARG A 110 141.659 9.491 -8.173 1.00 1.43 N ATOM 1762 CZ ARG A 110 141.936 10.008 -9.340 1.00 2.01 C ATOM 1763 NH1 ARG A 110 142.518 9.284 -10.258 1.00 2.65 N ATOM 1764 NH2 ARG A 110 141.629 11.251 -9.589 1.00 2.50 N ATOM 0 H ARG A 110 144.559 7.006 -3.488 1.00 0.42 H new ATOM 0 HA ARG A 110 141.958 8.483 -3.668 1.00 0.46 H new ATOM 0 HB2 ARG A 110 143.266 9.170 -5.673 1.00 0.52 H new ATOM 0 HB3 ARG A 110 143.770 7.516 -5.957 1.00 0.52 H new ATOM 0 HG2 ARG A 110 141.312 6.876 -6.214 1.00 0.56 H new ATOM 0 HG3 ARG A 110 140.901 8.576 -6.089 1.00 0.56 H new ATOM 0 HD2 ARG A 110 143.034 7.851 -8.107 1.00 0.86 H new ATOM 0 HD3 ARG A 110 141.388 7.393 -8.498 1.00 0.86 H new ATOM 0 HE ARG A 110 141.216 10.064 -7.455 1.00 1.43 H new ATOM 0 HH11 ARG A 110 142.758 8.312 -10.065 1.00 2.65 H new ATOM 0 HH12 ARG A 110 142.733 9.691 -11.168 1.00 2.65 H new ATOM 0 HH21 ARG A 110 141.174 11.817 -8.873 1.00 2.50 H new ATOM 0 HH22 ARG A 110 141.844 11.657 -10.500 1.00 2.50 H new ATOM 1778 N VAL A 111 141.138 6.194 -3.136 1.00 0.45 N ATOM 1779 CA VAL A 111 140.515 4.849 -3.049 1.00 0.46 C ATOM 1780 C VAL A 111 139.860 4.504 -4.381 1.00 0.44 C ATOM 1781 O VAL A 111 139.322 5.356 -5.061 1.00 0.47 O ATOM 1782 CB VAL A 111 139.489 4.939 -1.917 1.00 0.53 C ATOM 1783 CG1 VAL A 111 138.158 4.314 -2.346 1.00 0.57 C ATOM 1784 CG2 VAL A 111 140.039 4.176 -0.718 1.00 0.58 C ATOM 0 H VAL A 111 140.760 6.899 -2.503 1.00 0.45 H new ATOM 0 HA VAL A 111 141.241 4.062 -2.843 1.00 0.46 H new ATOM 0 HB VAL A 111 139.313 5.985 -1.665 1.00 0.53 H new ATOM 0 HG11 VAL A 111 137.441 4.387 -1.528 1.00 0.57 H new ATOM 0 HG12 VAL A 111 137.771 4.844 -3.216 1.00 0.57 H new ATOM 0 HG13 VAL A 111 138.313 3.265 -2.599 1.00 0.57 H new ATOM 0 HG21 VAL A 111 139.325 4.225 0.104 1.00 0.58 H new ATOM 0 HG22 VAL A 111 140.203 3.134 -0.994 1.00 0.58 H new ATOM 0 HG23 VAL A 111 140.983 4.622 -0.405 1.00 0.58 H new ATOM 1794 N VAL A 112 139.977 3.281 -4.800 1.00 0.44 N ATOM 1795 CA VAL A 112 139.438 2.915 -6.138 1.00 0.45 C ATOM 1796 C VAL A 112 137.927 2.690 -6.058 1.00 0.47 C ATOM 1797 O VAL A 112 137.146 3.498 -6.520 1.00 0.48 O ATOM 1798 CB VAL A 112 140.179 1.632 -6.524 1.00 0.49 C ATOM 1799 CG1 VAL A 112 139.290 0.765 -7.414 1.00 0.61 C ATOM 1800 CG2 VAL A 112 141.446 2.007 -7.297 1.00 0.59 C ATOM 0 H VAL A 112 140.418 2.522 -4.281 1.00 0.44 H new ATOM 0 HA VAL A 112 139.588 3.699 -6.880 1.00 0.45 H new ATOM 0 HB VAL A 112 140.436 1.076 -5.623 1.00 0.49 H new ATOM 0 HG11 VAL A 112 139.824 -0.146 -7.685 1.00 0.61 H new ATOM 0 HG12 VAL A 112 138.379 0.505 -6.875 1.00 0.61 H new ATOM 0 HG13 VAL A 112 139.032 1.316 -8.318 1.00 0.61 H new ATOM 0 HG21 VAL A 112 141.983 1.101 -7.578 1.00 0.59 H new ATOM 0 HG22 VAL A 112 141.174 2.560 -8.196 1.00 0.59 H new ATOM 0 HG23 VAL A 112 142.085 2.627 -6.669 1.00 0.59 H new ATOM 1810 N SER A 113 137.510 1.637 -5.418 1.00 0.54 N ATOM 1811 CA SER A 113 136.051 1.405 -5.248 1.00 0.60 C ATOM 1812 C SER A 113 135.786 0.742 -3.901 1.00 0.54 C ATOM 1813 O SER A 113 136.426 -0.225 -3.533 1.00 0.52 O ATOM 1814 CB SER A 113 135.655 0.474 -6.393 1.00 0.69 C ATOM 1815 OG SER A 113 134.242 0.314 -6.400 1.00 0.84 O ATOM 0 H SER A 113 138.115 0.927 -5.005 1.00 0.54 H new ATOM 0 HA SER A 113 135.479 2.332 -5.269 1.00 0.60 H new ATOM 0 HB2 SER A 113 135.991 0.886 -7.345 1.00 0.69 H new ATOM 0 HB3 SER A 113 136.142 -0.494 -6.275 1.00 0.69 H new ATOM 0 HG SER A 113 133.984 -0.281 -7.134 1.00 0.84 H new ATOM 1821 N THR A 114 134.876 1.272 -3.141 1.00 0.56 N ATOM 1822 CA THR A 114 134.611 0.689 -1.807 1.00 0.54 C ATOM 1823 C THR A 114 133.351 -0.171 -1.844 1.00 0.60 C ATOM 1824 O THR A 114 132.363 0.177 -2.459 1.00 0.71 O ATOM 1825 CB THR A 114 134.424 1.889 -0.882 1.00 0.61 C ATOM 1826 OG1 THR A 114 133.385 2.716 -1.387 1.00 0.76 O ATOM 1827 CG2 THR A 114 135.729 2.682 -0.817 1.00 0.61 C ATOM 0 H THR A 114 134.306 2.082 -3.386 1.00 0.56 H new ATOM 0 HA THR A 114 135.420 0.041 -1.471 1.00 0.54 H new ATOM 0 HB THR A 114 134.157 1.546 0.118 1.00 0.61 H new ATOM 0 HG1 THR A 114 133.263 3.487 -0.794 1.00 0.76 H new ATOM 0 HG21 THR A 114 135.601 3.540 -0.158 1.00 0.61 H new ATOM 0 HG22 THR A 114 136.524 2.044 -0.431 1.00 0.61 H new ATOM 0 HG23 THR A 114 135.994 3.028 -1.816 1.00 0.61 H new ATOM 1835 N ASN A 115 133.326 -1.195 -1.047 1.00 0.58 N ATOM 1836 CA ASN A 115 132.082 -1.974 -0.870 1.00 0.67 C ATOM 1837 C ASN A 115 131.847 -2.161 0.623 1.00 0.65 C ATOM 1838 O ASN A 115 132.127 -3.200 1.185 1.00 0.67 O ATOM 1839 CB ASN A 115 132.331 -3.309 -1.570 1.00 0.73 C ATOM 1840 CG ASN A 115 130.994 -4.014 -1.804 1.00 0.76 C ATOM 1841 OD1 ASN A 115 129.963 -3.376 -1.876 1.00 1.11 O ATOM 1842 ND2 ASN A 115 130.967 -5.313 -1.926 1.00 0.99 N ATOM 0 H ASN A 115 134.124 -1.528 -0.506 1.00 0.58 H new ATOM 0 HA ASN A 115 131.201 -1.487 -1.287 1.00 0.67 H new ATOM 0 HB2 ASN A 115 132.840 -3.145 -2.520 1.00 0.73 H new ATOM 0 HB3 ASN A 115 132.984 -3.935 -0.962 1.00 0.73 H new ATOM 0 HD21 ASN A 115 130.080 -5.792 -2.082 1.00 0.99 H new ATOM 0 HD22 ASN A 115 131.833 -5.849 -1.866 1.00 0.99 H new ATOM 1849 N TYR A 116 131.628 -1.069 1.290 1.00 0.65 N ATOM 1850 CA TYR A 116 131.715 -1.054 2.782 1.00 0.71 C ATOM 1851 C TYR A 116 130.914 -2.196 3.433 1.00 0.69 C ATOM 1852 O TYR A 116 131.085 -2.473 4.604 1.00 0.75 O ATOM 1853 CB TYR A 116 131.127 0.301 3.186 1.00 0.87 C ATOM 1854 CG TYR A 116 129.877 0.576 2.381 1.00 1.07 C ATOM 1855 CD1 TYR A 116 128.758 -0.252 2.523 1.00 1.37 C ATOM 1856 CD2 TYR A 116 129.841 1.656 1.491 1.00 1.94 C ATOM 1857 CE1 TYR A 116 127.600 0.000 1.776 1.00 2.18 C ATOM 1858 CE2 TYR A 116 128.684 1.909 0.743 1.00 2.89 C ATOM 1859 CZ TYR A 116 127.563 1.081 0.885 1.00 2.93 C ATOM 1860 OH TYR A 116 126.424 1.328 0.148 1.00 3.94 O ATOM 0 H TYR A 116 131.389 -0.173 0.866 1.00 0.65 H new ATOM 0 HA TYR A 116 132.743 -1.196 3.115 1.00 0.71 H new ATOM 0 HB2 TYR A 116 130.893 0.304 4.251 1.00 0.87 H new ATOM 0 HB3 TYR A 116 131.860 1.090 3.019 1.00 0.87 H new ATOM 0 HD1 TYR A 116 128.787 -1.086 3.209 1.00 1.37 H new ATOM 0 HD2 TYR A 116 130.705 2.294 1.381 1.00 1.94 H new ATOM 0 HE1 TYR A 116 126.736 -0.639 1.887 1.00 2.18 H new ATOM 0 HE2 TYR A 116 128.656 2.742 0.057 1.00 2.89 H new ATOM 0 HH TYR A 116 126.566 2.114 -0.419 1.00 3.94 H new ATOM 1870 N ASN A 117 130.140 -2.938 2.687 1.00 0.63 N ATOM 1871 CA ASN A 117 129.476 -4.127 3.291 1.00 0.65 C ATOM 1872 C ASN A 117 130.342 -5.365 3.067 1.00 0.60 C ATOM 1873 O ASN A 117 130.080 -6.428 3.596 1.00 0.66 O ATOM 1874 CB ASN A 117 128.142 -4.261 2.556 1.00 0.70 C ATOM 1875 CG ASN A 117 128.400 -4.391 1.055 1.00 0.70 C ATOM 1876 OD1 ASN A 117 128.910 -5.496 0.586 1.00 0.68 O flip ATOM 1877 ND2 ASN A 117 128.135 -3.476 0.301 1.00 1.07 N flip ATOM 0 H ASN A 117 129.941 -2.775 1.700 1.00 0.63 H new ATOM 0 HA ASN A 117 129.330 -4.023 4.366 1.00 0.65 H new ATOM 0 HB2 ASN A 117 127.600 -5.134 2.920 1.00 0.70 H new ATOM 0 HB3 ASN A 117 127.516 -3.391 2.755 1.00 0.70 H new ATOM 0 HD21 ASN A 117 127.736 -2.612 0.668 1.00 1.07 H new ATOM 0 HD22 ASN A 117 128.311 -3.572 -0.699 1.00 1.07 H new ATOM 1884 N GLN A 118 131.390 -5.226 2.306 1.00 0.54 N ATOM 1885 CA GLN A 118 132.293 -6.383 2.066 1.00 0.51 C ATOM 1886 C GLN A 118 133.758 -5.925 2.037 1.00 0.44 C ATOM 1887 O GLN A 118 134.557 -6.320 2.863 1.00 0.43 O ATOM 1888 CB GLN A 118 131.870 -6.930 0.703 1.00 0.53 C ATOM 1889 CG GLN A 118 131.916 -8.460 0.727 1.00 0.61 C ATOM 1890 CD GLN A 118 130.805 -8.992 1.636 1.00 1.20 C ATOM 1891 OE1 GLN A 118 131.098 -9.857 2.567 1.00 1.27 O flip ATOM 1892 NE2 GLN A 118 129.656 -8.620 1.493 1.00 2.04 N flip ATOM 0 H GLN A 118 131.660 -4.360 1.840 1.00 0.54 H new ATOM 0 HA GLN A 118 132.219 -7.136 2.851 1.00 0.51 H new ATOM 0 HB2 GLN A 118 130.863 -6.590 0.460 1.00 0.53 H new ATOM 0 HB3 GLN A 118 132.532 -6.548 -0.075 1.00 0.53 H new ATOM 0 HG2 GLN A 118 131.794 -8.854 -0.282 1.00 0.61 H new ATOM 0 HG3 GLN A 118 132.888 -8.799 1.086 1.00 0.61 H new ATOM 0 HE21 GLN A 118 129.426 -7.943 0.765 1.00 2.04 H new ATOM 0 HE22 GLN A 118 128.923 -8.984 2.101 1.00 2.04 H new ATOM 1901 N HIS A 119 134.140 -5.189 1.027 1.00 0.42 N ATOM 1902 CA HIS A 119 135.582 -4.830 0.876 1.00 0.38 C ATOM 1903 C HIS A 119 135.754 -3.489 0.150 1.00 0.38 C ATOM 1904 O HIS A 119 134.887 -3.045 -0.577 1.00 0.42 O ATOM 1905 CB HIS A 119 136.180 -5.960 0.038 1.00 0.39 C ATOM 1906 CG HIS A 119 135.767 -5.797 -1.400 1.00 0.46 C ATOM 1907 ND1 HIS A 119 136.388 -5.199 -2.469 1.00 1.29 N flip ATOM 1908 CD2 HIS A 119 134.565 -6.288 -1.887 1.00 1.10 C flip ATOM 1909 CE1 HIS A 119 135.588 -5.316 -3.601 1.00 1.08 C flip ATOM 1910 NE2 HIS A 119 134.502 -5.979 -3.195 1.00 0.77 N flip ATOM 0 H HIS A 119 133.521 -4.823 0.304 1.00 0.42 H new ATOM 0 HA HIS A 119 136.069 -4.719 1.845 1.00 0.38 H new ATOM 0 HB2 HIS A 119 137.267 -5.949 0.118 1.00 0.39 H new ATOM 0 HB3 HIS A 119 135.842 -6.925 0.417 1.00 0.39 H new ATOM 0 HD2 HIS A 119 133.816 -6.821 -1.320 1.00 1.10 H new ATOM 0 HE1 HIS A 119 135.800 -4.949 -4.595 1.00 1.08 H new ATOM 0 HE2 HIS A 119 133.720 -6.222 -3.803 1.00 0.77 H new ATOM 1918 N ALA A 120 136.926 -2.918 0.239 1.00 0.36 N ATOM 1919 CA ALA A 120 137.233 -1.692 -0.551 1.00 0.37 C ATOM 1920 C ALA A 120 138.688 -1.742 -1.043 1.00 0.36 C ATOM 1921 O ALA A 120 139.517 -2.433 -0.482 1.00 0.37 O ATOM 1922 CB ALA A 120 137.026 -0.540 0.430 1.00 0.38 C ATOM 0 H ALA A 120 137.688 -3.251 0.829 1.00 0.36 H new ATOM 0 HA ALA A 120 136.605 -1.587 -1.436 1.00 0.37 H new ATOM 0 HB1 ALA A 120 137.232 0.406 -0.071 1.00 0.38 H new ATOM 0 HB2 ALA A 120 135.996 -0.546 0.786 1.00 0.38 H new ATOM 0 HB3 ALA A 120 137.703 -0.657 1.276 1.00 0.38 H new ATOM 1928 N MET A 121 138.997 -1.058 -2.112 1.00 0.36 N ATOM 1929 CA MET A 121 140.384 -1.124 -2.660 1.00 0.36 C ATOM 1930 C MET A 121 141.042 0.259 -2.669 1.00 0.35 C ATOM 1931 O MET A 121 140.424 1.252 -2.998 1.00 0.37 O ATOM 1932 CB MET A 121 140.218 -1.658 -4.085 1.00 0.40 C ATOM 1933 CG MET A 121 139.819 -3.136 -4.031 1.00 0.47 C ATOM 1934 SD MET A 121 139.618 -3.781 -5.711 1.00 1.13 S ATOM 1935 CE MET A 121 138.104 -2.883 -6.131 1.00 1.83 C ATOM 0 H MET A 121 138.353 -0.459 -2.628 1.00 0.36 H new ATOM 0 HA MET A 121 141.030 -1.760 -2.055 1.00 0.36 H new ATOM 0 HB2 MET A 121 139.458 -1.084 -4.614 1.00 0.40 H new ATOM 0 HB3 MET A 121 141.149 -1.541 -4.640 1.00 0.40 H new ATOM 0 HG2 MET A 121 140.580 -3.708 -3.501 1.00 0.47 H new ATOM 0 HG3 MET A 121 138.889 -3.251 -3.474 1.00 0.47 H new ATOM 0 HE1 MET A 121 137.552 -3.436 -6.891 1.00 1.83 H new ATOM 0 HE2 MET A 121 137.486 -2.775 -5.240 1.00 1.83 H new ATOM 0 HE3 MET A 121 138.361 -1.896 -6.516 1.00 1.83 H new ATOM 1945 N VAL A 122 142.287 0.327 -2.267 1.00 0.34 N ATOM 1946 CA VAL A 122 142.988 1.644 -2.192 1.00 0.33 C ATOM 1947 C VAL A 122 144.141 1.710 -3.195 1.00 0.34 C ATOM 1948 O VAL A 122 144.999 0.853 -3.217 1.00 0.37 O ATOM 1949 CB VAL A 122 143.526 1.719 -0.757 1.00 0.33 C ATOM 1950 CG1 VAL A 122 144.882 2.435 -0.728 1.00 0.37 C ATOM 1951 CG2 VAL A 122 142.543 2.499 0.104 1.00 0.31 C ATOM 0 H VAL A 122 142.849 -0.477 -1.987 1.00 0.34 H new ATOM 0 HA VAL A 122 142.322 2.472 -2.433 1.00 0.33 H new ATOM 0 HB VAL A 122 143.648 0.705 -0.375 1.00 0.33 H new ATOM 0 HG11 VAL A 122 145.248 2.479 0.298 1.00 0.37 H new ATOM 0 HG12 VAL A 122 145.595 1.889 -1.345 1.00 0.37 H new ATOM 0 HG13 VAL A 122 144.767 3.447 -1.116 1.00 0.37 H new ATOM 0 HG21 VAL A 122 142.919 2.556 1.125 1.00 0.31 H new ATOM 0 HG22 VAL A 122 142.428 3.506 -0.297 1.00 0.31 H new ATOM 0 HG23 VAL A 122 141.577 1.994 0.101 1.00 0.31 H new ATOM 1961 N PHE A 123 144.287 2.827 -3.850 1.00 0.35 N ATOM 1962 CA PHE A 123 145.527 3.061 -4.642 1.00 0.38 C ATOM 1963 C PHE A 123 146.405 4.108 -3.941 1.00 0.36 C ATOM 1964 O PHE A 123 146.102 5.284 -3.943 1.00 0.36 O ATOM 1965 CB PHE A 123 145.037 3.584 -5.992 1.00 0.43 C ATOM 1966 CG PHE A 123 146.222 3.993 -6.828 1.00 0.54 C ATOM 1967 CD1 PHE A 123 146.950 3.025 -7.532 1.00 0.89 C ATOM 1968 CD2 PHE A 123 146.598 5.341 -6.896 1.00 0.72 C ATOM 1969 CE1 PHE A 123 148.056 3.405 -8.303 1.00 1.02 C ATOM 1970 CE2 PHE A 123 147.702 5.721 -7.669 1.00 0.83 C ATOM 1971 CZ PHE A 123 148.432 4.753 -8.372 1.00 0.86 C ATOM 0 H PHE A 123 143.605 3.585 -3.872 1.00 0.35 H new ATOM 0 HA PHE A 123 146.131 2.160 -4.751 1.00 0.38 H new ATOM 0 HB2 PHE A 123 144.463 2.814 -6.507 1.00 0.43 H new ATOM 0 HB3 PHE A 123 144.370 4.434 -5.845 1.00 0.43 H new ATOM 0 HD1 PHE A 123 146.659 1.986 -7.480 1.00 0.89 H new ATOM 0 HD2 PHE A 123 146.037 6.087 -6.353 1.00 0.72 H new ATOM 0 HE1 PHE A 123 148.619 2.659 -8.844 1.00 1.02 H new ATOM 0 HE2 PHE A 123 147.991 6.760 -7.723 1.00 0.83 H new ATOM 0 HZ PHE A 123 149.284 5.046 -8.967 1.00 0.86 H new ATOM 1981 N PHE A 124 147.473 3.685 -3.315 1.00 0.36 N ATOM 1982 CA PHE A 124 148.347 4.655 -2.577 1.00 0.36 C ATOM 1983 C PHE A 124 149.565 5.043 -3.430 1.00 0.35 C ATOM 1984 O PHE A 124 150.352 4.203 -3.821 1.00 0.39 O ATOM 1985 CB PHE A 124 148.813 3.901 -1.328 1.00 0.41 C ATOM 1986 CG PHE A 124 147.997 4.325 -0.132 1.00 0.43 C ATOM 1987 CD1 PHE A 124 147.911 5.678 0.217 1.00 1.00 C ATOM 1988 CD2 PHE A 124 147.334 3.359 0.636 1.00 0.99 C ATOM 1989 CE1 PHE A 124 147.159 6.066 1.334 1.00 1.04 C ATOM 1990 CE2 PHE A 124 146.581 3.746 1.752 1.00 1.02 C ATOM 1991 CZ PHE A 124 146.494 5.100 2.102 1.00 0.58 C ATOM 0 H PHE A 124 147.780 2.713 -3.281 1.00 0.36 H new ATOM 0 HA PHE A 124 147.814 5.575 -2.337 1.00 0.36 H new ATOM 0 HB2 PHE A 124 148.713 2.827 -1.484 1.00 0.41 H new ATOM 0 HB3 PHE A 124 149.869 4.100 -1.146 1.00 0.41 H new ATOM 0 HD1 PHE A 124 148.424 6.422 -0.374 1.00 1.00 H new ATOM 0 HD2 PHE A 124 147.403 2.315 0.367 1.00 0.99 H new ATOM 0 HE1 PHE A 124 147.092 7.110 1.603 1.00 1.04 H new ATOM 0 HE2 PHE A 124 146.068 3.001 2.342 1.00 1.02 H new ATOM 0 HZ PHE A 124 145.915 5.399 2.963 1.00 0.58 H new ATOM 2001 N LYS A 125 149.747 6.311 -3.690 1.00 0.36 N ATOM 2002 CA LYS A 125 150.934 6.745 -4.485 1.00 0.37 C ATOM 2003 C LYS A 125 151.652 7.904 -3.784 1.00 0.42 C ATOM 2004 O LYS A 125 151.037 8.868 -3.371 1.00 0.47 O ATOM 2005 CB LYS A 125 150.362 7.197 -5.828 1.00 0.41 C ATOM 2006 CG LYS A 125 151.501 7.615 -6.761 1.00 0.46 C ATOM 2007 CD LYS A 125 150.965 7.733 -8.189 1.00 0.54 C ATOM 2008 CE LYS A 125 149.845 8.773 -8.228 1.00 1.25 C ATOM 2009 NZ LYS A 125 149.287 8.683 -9.606 1.00 1.54 N ATOM 0 H LYS A 125 149.128 7.063 -3.388 1.00 0.36 H new ATOM 0 HA LYS A 125 151.668 5.948 -4.601 1.00 0.37 H new ATOM 0 HB2 LYS A 125 149.787 6.388 -6.280 1.00 0.41 H new ATOM 0 HB3 LYS A 125 149.676 8.031 -5.680 1.00 0.41 H new ATOM 0 HG2 LYS A 125 151.921 8.568 -6.438 1.00 0.46 H new ATOM 0 HG3 LYS A 125 152.307 6.882 -6.722 1.00 0.46 H new ATOM 0 HD2 LYS A 125 151.768 8.022 -8.868 1.00 0.54 H new ATOM 0 HD3 LYS A 125 150.591 6.767 -8.530 1.00 0.54 H new ATOM 0 HE2 LYS A 125 149.083 8.561 -7.478 1.00 1.25 H new ATOM 0 HE3 LYS A 125 150.227 9.773 -8.021 1.00 1.25 H new ATOM 0 HZ1 LYS A 125 148.511 9.368 -9.712 1.00 1.54 H new ATOM 0 HZ2 LYS A 125 150.034 8.896 -10.298 1.00 1.54 H new ATOM 0 HZ3 LYS A 125 148.925 7.722 -9.772 1.00 1.54 H new ATOM 2023 N LYS A 126 152.948 7.814 -3.637 1.00 0.46 N ATOM 2024 CA LYS A 126 153.697 8.904 -2.945 1.00 0.56 C ATOM 2025 C LYS A 126 155.176 8.888 -3.341 1.00 0.50 C ATOM 2026 O LYS A 126 155.714 7.877 -3.748 1.00 0.50 O ATOM 2027 CB LYS A 126 153.536 8.603 -1.455 1.00 0.70 C ATOM 2028 CG LYS A 126 153.931 7.150 -1.180 1.00 1.05 C ATOM 2029 CD LYS A 126 152.690 6.258 -1.271 1.00 1.73 C ATOM 2030 CE LYS A 126 153.021 4.856 -0.751 1.00 2.43 C ATOM 2031 NZ LYS A 126 152.046 4.615 0.349 1.00 3.00 N ATOM 0 H LYS A 126 153.519 7.035 -3.965 1.00 0.46 H new ATOM 0 HA LYS A 126 153.319 9.891 -3.211 1.00 0.56 H new ATOM 0 HB2 LYS A 126 154.159 9.277 -0.868 1.00 0.70 H new ATOM 0 HB3 LYS A 126 152.504 8.774 -1.148 1.00 0.70 H new ATOM 0 HG2 LYS A 126 154.681 6.823 -1.901 1.00 1.05 H new ATOM 0 HG3 LYS A 126 154.381 7.065 -0.191 1.00 1.05 H new ATOM 0 HD2 LYS A 126 151.877 6.690 -0.688 1.00 1.73 H new ATOM 0 HD3 LYS A 126 152.346 6.201 -2.304 1.00 1.73 H new ATOM 0 HE2 LYS A 126 152.921 4.109 -1.538 1.00 2.43 H new ATOM 0 HE3 LYS A 126 154.047 4.801 -0.388 1.00 2.43 H new ATOM 0 HZ1 LYS A 126 151.816 3.602 0.393 1.00 3.00 H new ATOM 0 HZ2 LYS A 126 152.462 4.915 1.254 1.00 3.00 H new ATOM 0 HZ3 LYS A 126 151.178 5.160 0.169 1.00 3.00 H new ATOM 2045 N VAL A 127 155.847 9.992 -3.158 1.00 0.49 N ATOM 2046 CA VAL A 127 157.308 10.050 -3.445 1.00 0.49 C ATOM 2047 C VAL A 127 158.040 10.686 -2.268 1.00 0.48 C ATOM 2048 O VAL A 127 157.623 11.699 -1.741 1.00 0.45 O ATOM 2049 CB VAL A 127 157.449 10.931 -4.688 1.00 0.52 C ATOM 2050 CG1 VAL A 127 158.933 11.185 -4.973 1.00 0.56 C ATOM 2051 CG2 VAL A 127 156.818 10.226 -5.887 1.00 0.57 C ATOM 0 H VAL A 127 155.441 10.864 -2.819 1.00 0.49 H new ATOM 0 HA VAL A 127 157.732 9.059 -3.603 1.00 0.49 H new ATOM 0 HB VAL A 127 156.944 11.881 -4.515 1.00 0.52 H new ATOM 0 HG11 VAL A 127 159.031 11.813 -5.859 1.00 0.56 H new ATOM 0 HG12 VAL A 127 159.386 11.689 -4.119 1.00 0.56 H new ATOM 0 HG13 VAL A 127 159.439 10.235 -5.144 1.00 0.56 H new ATOM 0 HG21 VAL A 127 156.918 10.854 -6.772 1.00 0.57 H new ATOM 0 HG22 VAL A 127 157.323 9.275 -6.057 1.00 0.57 H new ATOM 0 HG23 VAL A 127 155.762 10.045 -5.688 1.00 0.57 H new ATOM 2061 N SER A 128 159.208 10.207 -1.969 1.00 0.52 N ATOM 2062 CA SER A 128 160.049 10.912 -0.973 1.00 0.55 C ATOM 2063 C SER A 128 161.064 11.773 -1.718 1.00 0.57 C ATOM 2064 O SER A 128 161.155 11.706 -2.926 1.00 0.61 O ATOM 2065 CB SER A 128 160.745 9.807 -0.181 1.00 0.61 C ATOM 2066 OG SER A 128 160.817 10.184 1.188 1.00 0.91 O ATOM 0 H SER A 128 159.616 9.362 -2.369 1.00 0.52 H new ATOM 0 HA SER A 128 159.479 11.565 -0.312 1.00 0.55 H new ATOM 0 HB2 SER A 128 160.198 8.870 -0.284 1.00 0.61 H new ATOM 0 HB3 SER A 128 161.746 9.636 -0.576 1.00 0.61 H new ATOM 0 HG SER A 128 160.816 11.161 1.259 1.00 0.91 H new ATOM 2072 N GLN A 129 161.734 12.653 -1.022 1.00 0.61 N ATOM 2073 CA GLN A 129 162.662 13.618 -1.688 1.00 0.65 C ATOM 2074 C GLN A 129 163.071 13.137 -3.078 1.00 0.66 C ATOM 2075 O GLN A 129 162.924 13.837 -4.060 1.00 0.67 O ATOM 2076 CB GLN A 129 163.881 13.675 -0.771 1.00 0.77 C ATOM 2077 CG GLN A 129 164.640 14.973 -1.028 1.00 1.11 C ATOM 2078 CD GLN A 129 166.021 14.900 -0.373 1.00 1.27 C ATOM 2079 OE1 GLN A 129 166.135 14.914 0.836 1.00 1.43 O ATOM 2080 NE2 GLN A 129 167.082 14.822 -1.129 1.00 1.90 N ATOM 0 H GLN A 129 161.678 12.746 -0.008 1.00 0.61 H new ATOM 0 HA GLN A 129 162.192 14.591 -1.831 1.00 0.65 H new ATOM 0 HB2 GLN A 129 163.569 13.622 0.272 1.00 0.77 H new ATOM 0 HB3 GLN A 129 164.529 12.818 -0.954 1.00 0.77 H new ATOM 0 HG2 GLN A 129 164.744 15.139 -2.100 1.00 1.11 H new ATOM 0 HG3 GLN A 129 164.081 15.818 -0.627 1.00 1.11 H new ATOM 0 HE21 GLN A 129 166.985 14.810 -2.144 1.00 1.90 H new ATOM 0 HE22 GLN A 129 168.008 14.773 -0.705 1.00 1.90 H new ATOM 2089 N ASN A 130 163.507 11.921 -3.174 1.00 0.70 N ATOM 2090 CA ASN A 130 163.834 11.347 -4.509 1.00 0.75 C ATOM 2091 C ASN A 130 163.518 9.846 -4.559 1.00 0.76 C ATOM 2092 O ASN A 130 164.213 9.086 -5.203 1.00 0.86 O ATOM 2093 CB ASN A 130 165.333 11.593 -4.690 1.00 0.85 C ATOM 2094 CG ASN A 130 166.099 10.967 -3.524 1.00 0.93 C ATOM 2095 OD1 ASN A 130 165.890 9.817 -3.192 1.00 1.06 O ATOM 2096 ND2 ASN A 130 166.982 11.681 -2.881 1.00 1.36 N ATOM 0 H ASN A 130 163.654 11.292 -2.384 1.00 0.70 H new ATOM 0 HA ASN A 130 163.244 11.806 -5.302 1.00 0.75 H new ATOM 0 HB2 ASN A 130 165.671 11.164 -5.633 1.00 0.85 H new ATOM 0 HB3 ASN A 130 165.533 12.663 -4.737 1.00 0.85 H new ATOM 0 HD21 ASN A 130 167.496 11.274 -2.100 1.00 1.36 H new ATOM 0 HD22 ASN A 130 167.158 12.646 -3.159 1.00 1.36 H new ATOM 2103 N ARG A 131 162.433 9.423 -3.967 1.00 0.70 N ATOM 2104 CA ARG A 131 162.042 7.986 -4.082 1.00 0.73 C ATOM 2105 C ARG A 131 160.605 7.874 -4.595 1.00 0.67 C ATOM 2106 O ARG A 131 159.740 8.634 -4.209 1.00 0.63 O ATOM 2107 CB ARG A 131 162.156 7.427 -2.664 1.00 0.77 C ATOM 2108 CG ARG A 131 163.597 7.581 -2.177 1.00 1.39 C ATOM 2109 CD ARG A 131 163.727 7.025 -0.758 1.00 1.70 C ATOM 2110 NE ARG A 131 165.087 7.440 -0.315 1.00 2.50 N ATOM 2111 CZ ARG A 131 165.389 7.451 0.954 1.00 3.03 C ATOM 2112 NH1 ARG A 131 164.516 7.055 1.840 1.00 3.53 N ATOM 2113 NH2 ARG A 131 166.571 7.851 1.336 1.00 3.45 N ATOM 0 H ARG A 131 161.804 10.004 -3.413 1.00 0.70 H new ATOM 0 HA ARG A 131 162.673 7.439 -4.782 1.00 0.73 H new ATOM 0 HB2 ARG A 131 161.475 7.955 -1.996 1.00 0.77 H new ATOM 0 HB3 ARG A 131 161.865 6.377 -2.650 1.00 0.77 H new ATOM 0 HG2 ARG A 131 164.275 7.054 -2.848 1.00 1.39 H new ATOM 0 HG3 ARG A 131 163.886 8.632 -2.193 1.00 1.39 H new ATOM 0 HD2 ARG A 131 162.956 7.429 -0.102 1.00 1.70 H new ATOM 0 HD3 ARG A 131 163.620 5.940 -0.746 1.00 1.70 H new ATOM 0 HE ARG A 131 165.784 7.716 -1.006 1.00 2.50 H new ATOM 0 HH11 ARG A 131 163.595 6.736 1.541 1.00 3.53 H new ATOM 0 HH12 ARG A 131 164.755 7.065 2.831 1.00 3.53 H new ATOM 0 HH21 ARG A 131 167.256 8.154 0.643 1.00 3.45 H new ATOM 0 HH22 ARG A 131 166.810 7.861 2.327 1.00 3.45 H new ATOM 2127 N GLU A 132 160.350 6.969 -5.499 1.00 0.69 N ATOM 2128 CA GLU A 132 158.976 6.863 -6.066 1.00 0.66 C ATOM 2129 C GLU A 132 158.401 5.467 -5.809 1.00 0.67 C ATOM 2130 O GLU A 132 158.850 4.486 -6.368 1.00 0.77 O ATOM 2131 CB GLU A 132 159.146 7.107 -7.565 1.00 0.73 C ATOM 2132 CG GLU A 132 157.773 7.121 -8.237 1.00 1.55 C ATOM 2133 CD GLU A 132 157.940 7.365 -9.738 1.00 1.77 C ATOM 2134 OE1 GLU A 132 159.047 7.673 -10.148 1.00 2.09 O ATOM 2135 OE2 GLU A 132 156.960 7.235 -10.452 1.00 2.20 O ATOM 0 H GLU A 132 161.028 6.302 -5.868 1.00 0.69 H new ATOM 0 HA GLU A 132 158.287 7.576 -5.613 1.00 0.66 H new ATOM 0 HB2 GLU A 132 159.656 8.056 -7.735 1.00 0.73 H new ATOM 0 HB3 GLU A 132 159.769 6.327 -8.003 1.00 0.73 H new ATOM 0 HG2 GLU A 132 157.264 6.172 -8.067 1.00 1.55 H new ATOM 0 HG3 GLU A 132 157.150 7.901 -7.798 1.00 1.55 H new ATOM 2142 N TYR A 133 157.403 5.375 -4.976 1.00 0.61 N ATOM 2143 CA TYR A 133 156.787 4.047 -4.692 1.00 0.65 C ATOM 2144 C TYR A 133 155.267 4.182 -4.575 1.00 0.57 C ATOM 2145 O TYR A 133 154.757 5.188 -4.123 1.00 0.57 O ATOM 2146 CB TYR A 133 157.395 3.609 -3.358 1.00 0.72 C ATOM 2147 CG TYR A 133 157.259 4.721 -2.347 1.00 0.80 C ATOM 2148 CD1 TYR A 133 158.071 5.858 -2.443 1.00 0.86 C ATOM 2149 CD2 TYR A 133 156.319 4.617 -1.314 1.00 0.96 C ATOM 2150 CE1 TYR A 133 157.943 6.891 -1.505 1.00 1.07 C ATOM 2151 CE2 TYR A 133 156.193 5.650 -0.376 1.00 1.15 C ATOM 2152 CZ TYR A 133 157.005 6.786 -0.472 1.00 1.21 C ATOM 2153 OH TYR A 133 156.878 7.804 0.452 1.00 1.45 O ATOM 0 H TYR A 133 156.986 6.162 -4.479 1.00 0.61 H new ATOM 0 HA TYR A 133 156.978 3.323 -5.484 1.00 0.65 H new ATOM 0 HB2 TYR A 133 156.893 2.712 -2.996 1.00 0.72 H new ATOM 0 HB3 TYR A 133 158.446 3.354 -3.493 1.00 0.72 H new ATOM 0 HD1 TYR A 133 158.796 5.939 -3.240 1.00 0.86 H new ATOM 0 HD2 TYR A 133 155.692 3.741 -1.241 1.00 0.96 H new ATOM 0 HE1 TYR A 133 158.568 7.768 -1.579 1.00 1.07 H new ATOM 0 HE2 TYR A 133 155.469 5.570 0.421 1.00 1.15 H new ATOM 0 HH TYR A 133 156.181 7.572 1.101 1.00 1.45 H new ATOM 2163 N PHE A 134 154.542 3.153 -4.919 1.00 0.54 N ATOM 2164 CA PHE A 134 153.063 3.204 -4.755 1.00 0.51 C ATOM 2165 C PHE A 134 152.541 1.853 -4.265 1.00 0.46 C ATOM 2166 O PHE A 134 153.157 0.824 -4.472 1.00 0.49 O ATOM 2167 CB PHE A 134 152.508 3.527 -6.142 1.00 0.60 C ATOM 2168 CG PHE A 134 152.761 2.371 -7.081 1.00 0.68 C ATOM 2169 CD1 PHE A 134 152.018 1.189 -6.956 1.00 0.82 C ATOM 2170 CD2 PHE A 134 153.727 2.487 -8.088 1.00 0.79 C ATOM 2171 CE1 PHE A 134 152.244 0.124 -7.837 1.00 0.97 C ATOM 2172 CE2 PHE A 134 153.954 1.421 -8.968 1.00 0.92 C ATOM 2173 CZ PHE A 134 153.211 0.240 -8.843 1.00 0.98 C ATOM 0 H PHE A 134 154.909 2.283 -5.305 1.00 0.54 H new ATOM 0 HA PHE A 134 152.758 3.949 -4.020 1.00 0.51 H new ATOM 0 HB2 PHE A 134 151.438 3.727 -6.077 1.00 0.60 H new ATOM 0 HB3 PHE A 134 152.978 4.431 -6.530 1.00 0.60 H new ATOM 0 HD1 PHE A 134 151.272 1.100 -6.181 1.00 0.82 H new ATOM 0 HD2 PHE A 134 154.297 3.399 -8.186 1.00 0.79 H new ATOM 0 HE1 PHE A 134 151.672 -0.787 -7.740 1.00 0.97 H new ATOM 0 HE2 PHE A 134 154.701 1.510 -9.742 1.00 0.92 H new ATOM 0 HZ PHE A 134 153.384 -0.581 -9.523 1.00 0.98 H new ATOM 2183 N LYS A 135 151.449 1.860 -3.550 1.00 0.43 N ATOM 2184 CA LYS A 135 150.931 0.603 -2.966 1.00 0.44 C ATOM 2185 C LYS A 135 149.413 0.529 -3.139 1.00 0.42 C ATOM 2186 O LYS A 135 148.717 1.508 -3.004 1.00 0.44 O ATOM 2187 CB LYS A 135 151.303 0.698 -1.488 1.00 0.49 C ATOM 2188 CG LYS A 135 150.431 -0.259 -0.685 1.00 0.51 C ATOM 2189 CD LYS A 135 150.822 -0.190 0.792 1.00 0.68 C ATOM 2190 CE LYS A 135 149.739 -0.861 1.641 1.00 1.27 C ATOM 2191 NZ LYS A 135 150.482 -1.681 2.641 1.00 1.48 N ATOM 0 H LYS A 135 150.894 2.691 -3.347 1.00 0.43 H new ATOM 0 HA LYS A 135 151.342 -0.288 -3.441 1.00 0.44 H new ATOM 0 HB2 LYS A 135 152.356 0.451 -1.350 1.00 0.49 H new ATOM 0 HB3 LYS A 135 151.165 1.719 -1.132 1.00 0.49 H new ATOM 0 HG2 LYS A 135 149.380 0.002 -0.806 1.00 0.51 H new ATOM 0 HG3 LYS A 135 150.552 -1.276 -1.057 1.00 0.51 H new ATOM 0 HD2 LYS A 135 151.780 -0.685 0.949 1.00 0.68 H new ATOM 0 HD3 LYS A 135 150.947 0.849 1.098 1.00 0.68 H new ATOM 0 HE2 LYS A 135 149.106 -0.120 2.130 1.00 1.27 H new ATOM 0 HE3 LYS A 135 149.086 -1.483 1.028 1.00 1.27 H new ATOM 0 HZ1 LYS A 135 149.961 -2.562 2.823 1.00 1.48 H new ATOM 0 HZ2 LYS A 135 151.427 -1.908 2.271 1.00 1.48 H new ATOM 0 HZ3 LYS A 135 150.577 -1.145 3.527 1.00 1.48 H new ATOM 2205 N ILE A 136 148.893 -0.637 -3.379 1.00 0.43 N ATOM 2206 CA ILE A 136 147.417 -0.785 -3.490 1.00 0.42 C ATOM 2207 C ILE A 136 146.931 -1.826 -2.483 1.00 0.40 C ATOM 2208 O ILE A 136 147.516 -2.882 -2.347 1.00 0.43 O ATOM 2209 CB ILE A 136 147.177 -1.271 -4.916 1.00 0.48 C ATOM 2210 CG1 ILE A 136 147.809 -0.287 -5.902 1.00 0.54 C ATOM 2211 CG2 ILE A 136 145.673 -1.351 -5.176 1.00 0.48 C ATOM 2212 CD1 ILE A 136 148.158 -1.020 -7.198 1.00 1.04 C ATOM 0 H ILE A 136 149.426 -1.498 -3.504 1.00 0.43 H new ATOM 0 HA ILE A 136 146.884 0.143 -3.283 1.00 0.42 H new ATOM 0 HB ILE A 136 147.625 -2.256 -5.046 1.00 0.48 H new ATOM 0 HG12 ILE A 136 147.119 0.531 -6.109 1.00 0.54 H new ATOM 0 HG13 ILE A 136 148.706 0.154 -5.468 1.00 0.54 H new ATOM 0 HG21 ILE A 136 145.498 -1.698 -6.194 1.00 0.48 H new ATOM 0 HG22 ILE A 136 145.219 -2.048 -4.472 1.00 0.48 H new ATOM 0 HG23 ILE A 136 145.229 -0.364 -5.047 1.00 0.48 H new ATOM 0 HD11 ILE A 136 148.608 -0.320 -7.902 1.00 1.04 H new ATOM 0 HD12 ILE A 136 148.863 -1.823 -6.983 1.00 1.04 H new ATOM 0 HD13 ILE A 136 147.252 -1.440 -7.634 1.00 1.04 H new ATOM 2224 N THR A 137 145.932 -1.514 -1.705 1.00 0.37 N ATOM 2225 CA THR A 137 145.519 -2.488 -0.653 1.00 0.36 C ATOM 2226 C THR A 137 144.026 -2.820 -0.755 1.00 0.35 C ATOM 2227 O THR A 137 143.223 -2.022 -1.198 1.00 0.39 O ATOM 2228 CB THR A 137 145.822 -1.805 0.681 1.00 0.34 C ATOM 2229 OG1 THR A 137 146.784 -0.779 0.479 1.00 0.35 O ATOM 2230 CG2 THR A 137 146.378 -2.834 1.665 1.00 0.35 C ATOM 0 H THR A 137 145.394 -0.649 -1.748 1.00 0.37 H new ATOM 0 HA THR A 137 146.053 -3.432 -0.761 1.00 0.36 H new ATOM 0 HB THR A 137 144.906 -1.373 1.084 1.00 0.34 H new ATOM 0 HG1 THR A 137 146.978 -0.339 1.333 1.00 0.35 H new ATOM 0 HG21 THR A 137 146.594 -2.348 2.616 1.00 0.35 H new ATOM 0 HG22 THR A 137 145.643 -3.624 1.820 1.00 0.35 H new ATOM 0 HG23 THR A 137 147.294 -3.265 1.261 1.00 0.35 H new ATOM 2238 N LEU A 138 143.638 -3.933 -0.197 1.00 0.34 N ATOM 2239 CA LEU A 138 142.188 -4.252 -0.082 1.00 0.35 C ATOM 2240 C LEU A 138 141.880 -4.613 1.368 1.00 0.35 C ATOM 2241 O LEU A 138 142.587 -5.385 1.980 1.00 0.36 O ATOM 2242 CB LEU A 138 141.951 -5.455 -1.003 1.00 0.38 C ATOM 2243 CG LEU A 138 140.526 -5.983 -0.801 1.00 0.44 C ATOM 2244 CD1 LEU A 138 139.524 -5.004 -1.416 1.00 0.84 C ATOM 2245 CD2 LEU A 138 140.376 -7.347 -1.480 1.00 0.89 C ATOM 0 H LEU A 138 144.267 -4.639 0.186 1.00 0.34 H new ATOM 0 HA LEU A 138 141.548 -3.416 -0.364 1.00 0.35 H new ATOM 0 HB2 LEU A 138 142.098 -5.164 -2.043 1.00 0.38 H new ATOM 0 HB3 LEU A 138 142.675 -6.240 -0.786 1.00 0.38 H new ATOM 0 HG LEU A 138 140.333 -6.085 0.267 1.00 0.44 H new ATOM 0 HD11 LEU A 138 138.512 -5.381 -1.272 1.00 0.84 H new ATOM 0 HD12 LEU A 138 139.622 -4.032 -0.933 1.00 0.84 H new ATOM 0 HD13 LEU A 138 139.724 -4.901 -2.483 1.00 0.84 H new ATOM 0 HD21 LEU A 138 139.361 -7.717 -1.333 1.00 0.89 H new ATOM 0 HD22 LEU A 138 140.574 -7.246 -2.547 1.00 0.89 H new ATOM 0 HD23 LEU A 138 141.085 -8.050 -1.044 1.00 0.89 H new ATOM 2257 N TYR A 139 140.875 -4.021 1.945 1.00 0.34 N ATOM 2258 CA TYR A 139 140.592 -4.304 3.380 1.00 0.35 C ATOM 2259 C TYR A 139 139.099 -4.539 3.607 1.00 0.34 C ATOM 2260 O TYR A 139 138.301 -4.497 2.690 1.00 0.33 O ATOM 2261 CB TYR A 139 141.093 -3.085 4.166 1.00 0.37 C ATOM 2262 CG TYR A 139 140.572 -1.793 3.578 1.00 0.40 C ATOM 2263 CD1 TYR A 139 139.194 -1.569 3.452 1.00 0.42 C ATOM 2264 CD2 TYR A 139 141.479 -0.799 3.185 1.00 0.46 C ATOM 2265 CE1 TYR A 139 138.728 -0.355 2.931 1.00 0.48 C ATOM 2266 CE2 TYR A 139 141.011 0.414 2.668 1.00 0.52 C ATOM 2267 CZ TYR A 139 139.636 0.637 2.541 1.00 0.52 C ATOM 2268 OH TYR A 139 139.175 1.834 2.032 1.00 0.60 O ATOM 0 H TYR A 139 140.243 -3.360 1.493 1.00 0.34 H new ATOM 0 HA TYR A 139 141.096 -5.212 3.711 1.00 0.35 H new ATOM 0 HB2 TYR A 139 140.776 -3.166 5.206 1.00 0.37 H new ATOM 0 HB3 TYR A 139 142.183 -3.073 4.165 1.00 0.37 H new ATOM 0 HD1 TYR A 139 138.492 -2.332 3.756 1.00 0.42 H new ATOM 0 HD2 TYR A 139 142.541 -0.970 3.281 1.00 0.46 H new ATOM 0 HE1 TYR A 139 137.666 -0.184 2.830 1.00 0.48 H new ATOM 0 HE2 TYR A 139 141.712 1.179 2.367 1.00 0.52 H new ATOM 0 HH TYR A 139 138.822 2.385 2.761 1.00 0.60 H new ATOM 2278 N GLY A 140 138.729 -4.888 4.807 1.00 0.35 N ATOM 2279 CA GLY A 140 137.306 -5.245 5.064 1.00 0.36 C ATOM 2280 C GLY A 140 136.712 -4.325 6.128 1.00 0.42 C ATOM 2281 O GLY A 140 136.991 -4.442 7.305 1.00 0.44 O ATOM 0 H GLY A 140 139.346 -4.941 5.617 1.00 0.35 H new ATOM 0 HA2 GLY A 140 136.731 -5.164 4.141 1.00 0.36 H new ATOM 0 HA3 GLY A 140 137.238 -6.282 5.391 1.00 0.36 H new ATOM 2285 N ARG A 141 135.853 -3.444 5.715 1.00 0.52 N ATOM 2286 CA ARG A 141 135.181 -2.526 6.674 1.00 0.62 C ATOM 2287 C ARG A 141 134.059 -3.258 7.414 1.00 0.66 C ATOM 2288 O ARG A 141 133.395 -2.698 8.264 1.00 0.75 O ATOM 2289 CB ARG A 141 134.635 -1.408 5.788 1.00 0.69 C ATOM 2290 CG ARG A 141 133.353 -0.819 6.396 1.00 0.91 C ATOM 2291 CD ARG A 141 133.044 0.568 5.801 1.00 0.86 C ATOM 2292 NE ARG A 141 133.766 0.641 4.494 1.00 0.83 N ATOM 2293 CZ ARG A 141 134.069 1.800 3.971 1.00 0.69 C ATOM 2294 NH1 ARG A 141 133.794 2.905 4.613 1.00 0.73 N ATOM 2295 NH2 ARG A 141 134.658 1.851 2.805 1.00 0.66 N ATOM 0 H ARG A 141 135.582 -3.317 4.740 1.00 0.52 H new ATOM 0 HA ARG A 141 135.848 -2.147 7.448 1.00 0.62 H new ATOM 0 HB2 ARG A 141 135.385 -0.625 5.676 1.00 0.69 H new ATOM 0 HB3 ARG A 141 134.427 -1.795 4.790 1.00 0.69 H new ATOM 0 HG2 ARG A 141 132.516 -1.492 6.211 1.00 0.91 H new ATOM 0 HG3 ARG A 141 133.463 -0.738 7.477 1.00 0.91 H new ATOM 0 HD2 ARG A 141 131.971 0.699 5.659 1.00 0.86 H new ATOM 0 HD3 ARG A 141 133.376 1.360 6.472 1.00 0.86 H new ATOM 0 HE ARG A 141 134.023 -0.218 4.008 1.00 0.83 H new ATOM 0 HH11 ARG A 141 133.341 2.865 5.526 1.00 0.73 H new ATOM 0 HH12 ARG A 141 134.032 3.807 4.201 1.00 0.73 H new ATOM 0 HH21 ARG A 141 134.879 0.989 2.307 1.00 0.66 H new ATOM 0 HH22 ARG A 141 134.896 2.753 2.393 1.00 0.66 H new ATOM 2309 N THR A 142 133.884 -4.520 7.144 1.00 0.63 N ATOM 2310 CA THR A 142 132.851 -5.296 7.885 1.00 0.69 C ATOM 2311 C THR A 142 133.525 -6.311 8.810 1.00 0.76 C ATOM 2312 O THR A 142 134.724 -6.503 8.767 1.00 0.85 O ATOM 2313 CB THR A 142 132.033 -6.008 6.806 1.00 0.76 C ATOM 2314 OG1 THR A 142 132.838 -6.997 6.180 1.00 0.82 O ATOM 2315 CG2 THR A 142 131.566 -4.991 5.764 1.00 0.88 C ATOM 0 H THR A 142 134.409 -5.047 6.446 1.00 0.63 H new ATOM 0 HA THR A 142 132.224 -4.660 8.510 1.00 0.69 H new ATOM 0 HB THR A 142 131.164 -6.482 7.261 1.00 0.76 H new ATOM 0 HG1 THR A 142 132.438 -7.881 6.320 1.00 0.82 H new ATOM 0 HG21 THR A 142 130.983 -5.499 4.996 1.00 0.88 H new ATOM 0 HG22 THR A 142 130.948 -4.233 6.246 1.00 0.88 H new ATOM 0 HG23 THR A 142 132.433 -4.515 5.306 1.00 0.88 H new ATOM 2323 N LYS A 143 132.765 -6.972 9.637 1.00 0.82 N ATOM 2324 CA LYS A 143 133.367 -7.981 10.555 1.00 0.93 C ATOM 2325 C LYS A 143 133.842 -9.194 9.755 1.00 0.97 C ATOM 2326 O LYS A 143 134.762 -9.886 10.143 1.00 1.13 O ATOM 2327 CB LYS A 143 132.231 -8.384 11.494 1.00 1.01 C ATOM 2328 CG LYS A 143 131.180 -9.163 10.701 1.00 1.01 C ATOM 2329 CD LYS A 143 129.979 -9.469 11.596 1.00 1.21 C ATOM 2330 CE LYS A 143 129.053 -10.455 10.878 1.00 1.32 C ATOM 2331 NZ LYS A 143 127.676 -9.937 11.111 1.00 2.04 N ATOM 0 H LYS A 143 131.755 -6.858 9.718 1.00 0.82 H new ATOM 0 HA LYS A 143 134.229 -7.589 11.095 1.00 0.93 H new ATOM 0 HB2 LYS A 143 132.616 -8.996 12.310 1.00 1.01 H new ATOM 0 HB3 LYS A 143 131.783 -7.498 11.944 1.00 1.01 H new ATOM 0 HG2 LYS A 143 130.861 -8.583 9.835 1.00 1.01 H new ATOM 0 HG3 LYS A 143 131.610 -10.091 10.323 1.00 1.01 H new ATOM 0 HD2 LYS A 143 130.315 -9.891 12.543 1.00 1.21 H new ATOM 0 HD3 LYS A 143 129.441 -8.550 11.829 1.00 1.21 H new ATOM 0 HE2 LYS A 143 129.280 -10.505 9.813 1.00 1.32 H new ATOM 0 HE3 LYS A 143 129.167 -11.463 11.276 1.00 1.32 H new ATOM 0 HZ1 LYS A 143 126.987 -10.563 10.647 1.00 2.04 H new ATOM 0 HZ2 LYS A 143 127.484 -9.907 12.133 1.00 2.04 H new ATOM 0 HZ3 LYS A 143 127.594 -8.979 10.716 1.00 2.04 H new ATOM 2345 N GLU A 144 133.225 -9.454 8.636 1.00 0.96 N ATOM 2346 CA GLU A 144 133.646 -10.617 7.810 1.00 1.16 C ATOM 2347 C GLU A 144 133.520 -10.286 6.323 1.00 0.91 C ATOM 2348 O GLU A 144 132.690 -9.494 5.920 1.00 0.93 O ATOM 2349 CB GLU A 144 132.685 -11.744 8.189 1.00 1.53 C ATOM 2350 CG GLU A 144 131.252 -11.335 7.840 1.00 1.53 C ATOM 2351 CD GLU A 144 130.302 -12.495 8.147 1.00 2.02 C ATOM 2352 OE1 GLU A 144 130.085 -13.306 7.262 1.00 2.25 O ATOM 2353 OE2 GLU A 144 129.809 -12.552 9.261 1.00 2.61 O ATOM 0 H GLU A 144 132.448 -8.911 8.259 1.00 0.96 H new ATOM 0 HA GLU A 144 134.686 -10.890 7.987 1.00 1.16 H new ATOM 0 HB2 GLU A 144 132.953 -12.658 7.658 1.00 1.53 H new ATOM 0 HB3 GLU A 144 132.763 -11.960 9.255 1.00 1.53 H new ATOM 0 HG2 GLU A 144 130.964 -10.454 8.413 1.00 1.53 H new ATOM 0 HG3 GLU A 144 131.186 -11.066 6.786 1.00 1.53 H new ATOM 2360 N LEU A 145 134.287 -10.938 5.499 1.00 0.82 N ATOM 2361 CA LEU A 145 134.155 -10.719 4.036 1.00 0.61 C ATOM 2362 C LEU A 145 133.744 -12.036 3.366 1.00 0.66 C ATOM 2363 O LEU A 145 132.997 -12.813 3.928 1.00 0.98 O ATOM 2364 CB LEU A 145 135.541 -10.264 3.573 1.00 0.58 C ATOM 2365 CG LEU A 145 135.399 -9.040 2.663 1.00 0.45 C ATOM 2366 CD1 LEU A 145 136.662 -8.183 2.759 1.00 0.47 C ATOM 2367 CD2 LEU A 145 135.200 -9.494 1.214 1.00 0.48 C ATOM 0 H LEU A 145 135.000 -11.613 5.776 1.00 0.82 H new ATOM 0 HA LEU A 145 133.397 -9.979 3.780 1.00 0.61 H new ATOM 0 HB2 LEU A 145 136.162 -10.020 4.435 1.00 0.58 H new ATOM 0 HB3 LEU A 145 136.041 -11.072 3.039 1.00 0.58 H new ATOM 0 HG LEU A 145 134.536 -8.454 2.980 1.00 0.45 H new ATOM 0 HD11 LEU A 145 136.561 -7.312 2.111 1.00 0.47 H new ATOM 0 HD12 LEU A 145 136.802 -7.855 3.789 1.00 0.47 H new ATOM 0 HD13 LEU A 145 137.525 -8.770 2.445 1.00 0.47 H new ATOM 0 HD21 LEU A 145 135.099 -8.621 0.570 1.00 0.48 H new ATOM 0 HD22 LEU A 145 136.060 -10.083 0.896 1.00 0.48 H new ATOM 0 HD23 LEU A 145 134.298 -10.102 1.144 1.00 0.48 H new ATOM 2379 N THR A 146 134.235 -12.313 2.188 1.00 0.64 N ATOM 2380 CA THR A 146 133.871 -13.597 1.521 1.00 0.81 C ATOM 2381 C THR A 146 135.120 -14.461 1.325 1.00 0.92 C ATOM 2382 O THR A 146 136.201 -13.959 1.096 1.00 0.88 O ATOM 2383 CB THR A 146 133.292 -13.180 0.169 1.00 0.85 C ATOM 2384 OG1 THR A 146 134.341 -12.716 -0.669 1.00 0.77 O ATOM 2385 CG2 THR A 146 132.272 -12.059 0.376 1.00 0.89 C ATOM 0 H THR A 146 134.868 -11.711 1.662 1.00 0.64 H new ATOM 0 HA THR A 146 133.166 -14.187 2.107 1.00 0.81 H new ATOM 0 HB THR A 146 132.803 -14.035 -0.298 1.00 0.85 H new ATOM 0 HG1 THR A 146 133.973 -12.450 -1.537 1.00 0.77 H new ATOM 0 HG21 THR A 146 131.859 -11.761 -0.587 1.00 0.89 H new ATOM 0 HG22 THR A 146 131.468 -12.413 1.022 1.00 0.89 H new ATOM 0 HG23 THR A 146 132.761 -11.203 0.841 1.00 0.89 H new ATOM 2393 N SER A 147 134.981 -15.757 1.393 1.00 1.15 N ATOM 2394 CA SER A 147 136.167 -16.637 1.191 1.00 1.35 C ATOM 2395 C SER A 147 136.606 -16.582 -0.271 1.00 1.36 C ATOM 2396 O SER A 147 137.756 -16.801 -0.597 1.00 1.44 O ATOM 2397 CB SER A 147 135.697 -18.041 1.569 1.00 1.61 C ATOM 2398 OG SER A 147 134.668 -18.450 0.678 1.00 1.90 O ATOM 0 H SER A 147 134.103 -16.242 1.579 1.00 1.15 H new ATOM 0 HA SER A 147 137.022 -16.330 1.793 1.00 1.35 H new ATOM 0 HB2 SER A 147 136.532 -18.740 1.524 1.00 1.61 H new ATOM 0 HB3 SER A 147 135.329 -18.049 2.595 1.00 1.61 H new ATOM 0 HG SER A 147 134.367 -19.351 0.918 1.00 1.90 H new ATOM 2404 N GLU A 148 135.727 -16.161 -1.130 1.00 1.33 N ATOM 2405 CA GLU A 148 136.114 -15.940 -2.554 1.00 1.40 C ATOM 2406 C GLU A 148 137.036 -14.729 -2.653 1.00 1.23 C ATOM 2407 O GLU A 148 137.790 -14.578 -3.594 1.00 1.29 O ATOM 2408 CB GLU A 148 134.800 -15.674 -3.293 1.00 1.53 C ATOM 2409 CG GLU A 148 135.065 -15.596 -4.799 1.00 1.97 C ATOM 2410 CD GLU A 148 133.742 -15.395 -5.542 1.00 2.06 C ATOM 2411 OE1 GLU A 148 132.714 -15.373 -4.885 1.00 2.36 O ATOM 2412 OE2 GLU A 148 133.779 -15.266 -6.754 1.00 2.44 O ATOM 0 H GLU A 148 134.752 -15.958 -0.910 1.00 1.33 H new ATOM 0 HA GLU A 148 136.647 -16.792 -2.977 1.00 1.40 H new ATOM 0 HB2 GLU A 148 134.084 -16.468 -3.080 1.00 1.53 H new ATOM 0 HB3 GLU A 148 134.356 -14.742 -2.943 1.00 1.53 H new ATOM 0 HG2 GLU A 148 135.745 -14.773 -5.017 1.00 1.97 H new ATOM 0 HG3 GLU A 148 135.551 -16.510 -5.141 1.00 1.97 H new ATOM 2419 N LEU A 149 136.888 -13.815 -1.744 1.00 1.05 N ATOM 2420 CA LEU A 149 137.650 -12.538 -1.831 1.00 0.91 C ATOM 2421 C LEU A 149 139.152 -12.827 -1.950 1.00 1.00 C ATOM 2422 O LEU A 149 139.912 -12.017 -2.442 1.00 1.02 O ATOM 2423 CB LEU A 149 137.326 -11.790 -0.528 1.00 0.77 C ATOM 2424 CG LEU A 149 138.528 -11.821 0.422 1.00 0.87 C ATOM 2425 CD1 LEU A 149 139.540 -10.758 -0.014 1.00 1.54 C ATOM 2426 CD2 LEU A 149 138.064 -11.525 1.851 1.00 1.08 C ATOM 0 H LEU A 149 136.269 -13.894 -0.937 1.00 1.05 H new ATOM 0 HA LEU A 149 137.379 -11.948 -2.706 1.00 0.91 H new ATOM 0 HB2 LEU A 149 137.058 -10.757 -0.752 1.00 0.77 H new ATOM 0 HB3 LEU A 149 136.462 -12.246 -0.045 1.00 0.77 H new ATOM 0 HG LEU A 149 138.991 -12.807 0.391 1.00 0.87 H new ATOM 0 HD11 LEU A 149 140.398 -10.775 0.658 1.00 1.54 H new ATOM 0 HD12 LEU A 149 139.872 -10.967 -1.031 1.00 1.54 H new ATOM 0 HD13 LEU A 149 139.072 -9.774 0.020 1.00 1.54 H new ATOM 0 HD21 LEU A 149 138.921 -11.548 2.524 1.00 1.08 H new ATOM 0 HD22 LEU A 149 137.601 -10.539 1.886 1.00 1.08 H new ATOM 0 HD23 LEU A 149 137.339 -12.277 2.161 1.00 1.08 H new ATOM 2438 N LYS A 150 139.586 -13.966 -1.482 1.00 1.13 N ATOM 2439 CA LYS A 150 141.040 -14.291 -1.548 1.00 1.25 C ATOM 2440 C LYS A 150 141.453 -14.534 -2.996 1.00 1.33 C ATOM 2441 O LYS A 150 142.276 -13.828 -3.537 1.00 1.34 O ATOM 2442 CB LYS A 150 141.193 -15.571 -0.726 1.00 1.44 C ATOM 2443 CG LYS A 150 140.872 -15.280 0.741 1.00 1.98 C ATOM 2444 CD LYS A 150 141.010 -16.566 1.559 1.00 2.34 C ATOM 2445 CE LYS A 150 142.473 -16.761 1.965 1.00 2.70 C ATOM 2446 NZ LYS A 150 142.469 -16.722 3.454 1.00 3.07 N ATOM 0 H LYS A 150 138.998 -14.684 -1.058 1.00 1.13 H new ATOM 0 HA LYS A 150 141.666 -13.484 -1.167 1.00 1.25 H new ATOM 0 HB2 LYS A 150 140.525 -16.343 -1.109 1.00 1.44 H new ATOM 0 HB3 LYS A 150 142.209 -15.955 -0.817 1.00 1.44 H new ATOM 0 HG2 LYS A 150 141.547 -14.517 1.127 1.00 1.98 H new ATOM 0 HG3 LYS A 150 139.860 -14.886 0.831 1.00 1.98 H new ATOM 0 HD2 LYS A 150 140.379 -16.514 2.447 1.00 2.34 H new ATOM 0 HD3 LYS A 150 140.667 -17.420 0.974 1.00 2.34 H new ATOM 0 HE2 LYS A 150 142.862 -17.710 1.596 1.00 2.70 H new ATOM 0 HE3 LYS A 150 143.105 -15.975 1.551 1.00 2.70 H new ATOM 0 HZ1 LYS A 150 143.439 -16.849 3.807 1.00 3.07 H new ATOM 0 HZ2 LYS A 150 142.101 -15.804 3.776 1.00 3.07 H new ATOM 0 HZ3 LYS A 150 141.865 -17.485 3.820 1.00 3.07 H new ATOM 2460 N GLU A 151 140.859 -15.500 -3.637 1.00 1.43 N ATOM 2461 CA GLU A 151 141.189 -15.764 -5.065 1.00 1.58 C ATOM 2462 C GLU A 151 140.814 -14.557 -5.918 1.00 1.50 C ATOM 2463 O GLU A 151 141.487 -14.212 -6.869 1.00 1.52 O ATOM 2464 CB GLU A 151 140.346 -16.980 -5.451 1.00 1.78 C ATOM 2465 CG GLU A 151 140.877 -18.221 -4.730 1.00 2.02 C ATOM 2466 CD GLU A 151 139.947 -19.405 -5.000 1.00 2.37 C ATOM 2467 OE1 GLU A 151 138.759 -19.266 -4.758 1.00 2.79 O ATOM 2468 OE2 GLU A 151 140.438 -20.430 -5.441 1.00 2.90 O ATOM 0 H GLU A 151 140.157 -16.120 -3.233 1.00 1.43 H new ATOM 0 HA GLU A 151 142.253 -15.945 -5.219 1.00 1.58 H new ATOM 0 HB2 GLU A 151 139.302 -16.811 -5.185 1.00 1.78 H new ATOM 0 HB3 GLU A 151 140.380 -17.131 -6.530 1.00 1.78 H new ATOM 0 HG2 GLU A 151 141.885 -18.451 -5.074 1.00 2.02 H new ATOM 0 HG3 GLU A 151 140.941 -18.032 -3.658 1.00 2.02 H new ATOM 2475 N ASN A 152 139.703 -13.967 -5.617 1.00 1.44 N ATOM 2476 CA ASN A 152 139.205 -12.824 -6.434 1.00 1.45 C ATOM 2477 C ASN A 152 140.191 -11.652 -6.384 1.00 1.35 C ATOM 2478 O ASN A 152 140.448 -11.008 -7.380 1.00 1.41 O ATOM 2479 CB ASN A 152 137.866 -12.445 -5.791 1.00 1.45 C ATOM 2480 CG ASN A 152 137.505 -11.002 -6.144 1.00 1.32 C ATOM 2481 OD1 ASN A 152 138.183 -10.028 -5.602 1.00 1.50 O flip ATOM 2482 ND2 ASN A 152 136.602 -10.757 -6.919 1.00 1.76 N flip ATOM 0 H ASN A 152 139.106 -14.226 -4.831 1.00 1.44 H new ATOM 0 HA ASN A 152 139.095 -13.082 -7.487 1.00 1.45 H new ATOM 0 HB2 ASN A 152 137.083 -13.119 -6.138 1.00 1.45 H new ATOM 0 HB3 ASN A 152 137.928 -12.558 -4.709 1.00 1.45 H new ATOM 0 HD21 ASN A 152 136.072 -11.519 -7.342 1.00 1.76 H new ATOM 0 HD22 ASN A 152 136.374 -9.789 -7.146 1.00 1.76 H new ATOM 2489 N PHE A 153 140.762 -11.376 -5.244 1.00 1.26 N ATOM 2490 CA PHE A 153 141.740 -10.253 -5.173 1.00 1.25 C ATOM 2491 C PHE A 153 142.976 -10.587 -6.014 1.00 1.27 C ATOM 2492 O PHE A 153 143.511 -9.747 -6.709 1.00 1.30 O ATOM 2493 CB PHE A 153 142.112 -10.116 -3.694 1.00 1.26 C ATOM 2494 CG PHE A 153 142.961 -8.879 -3.514 1.00 1.33 C ATOM 2495 CD1 PHE A 153 142.423 -7.616 -3.801 1.00 1.39 C ATOM 2496 CD2 PHE A 153 144.287 -8.991 -3.076 1.00 1.41 C ATOM 2497 CE1 PHE A 153 143.209 -6.466 -3.648 1.00 1.51 C ATOM 2498 CE2 PHE A 153 145.074 -7.840 -2.923 1.00 1.52 C ATOM 2499 CZ PHE A 153 144.535 -6.578 -3.209 1.00 1.56 C ATOM 0 H PHE A 153 140.597 -11.872 -4.368 1.00 1.26 H new ATOM 0 HA PHE A 153 141.325 -9.323 -5.562 1.00 1.25 H new ATOM 0 HB2 PHE A 153 141.211 -10.047 -3.084 1.00 1.26 H new ATOM 0 HB3 PHE A 153 142.657 -10.999 -3.359 1.00 1.26 H new ATOM 0 HD1 PHE A 153 141.401 -7.530 -4.140 1.00 1.39 H new ATOM 0 HD2 PHE A 153 144.703 -9.963 -2.856 1.00 1.41 H new ATOM 0 HE1 PHE A 153 142.793 -5.494 -3.868 1.00 1.51 H new ATOM 0 HE2 PHE A 153 146.096 -7.926 -2.585 1.00 1.52 H new ATOM 0 HZ PHE A 153 145.142 -5.692 -3.091 1.00 1.56 H new ATOM 2509 N ILE A 154 143.420 -11.815 -5.975 1.00 1.29 N ATOM 2510 CA ILE A 154 144.615 -12.204 -6.789 1.00 1.35 C ATOM 2511 C ILE A 154 144.254 -12.208 -8.278 1.00 1.31 C ATOM 2512 O ILE A 154 145.000 -11.729 -9.108 1.00 1.30 O ATOM 2513 CB ILE A 154 144.998 -13.621 -6.336 1.00 1.50 C ATOM 2514 CG1 ILE A 154 144.654 -13.802 -4.848 1.00 1.53 C ATOM 2515 CG2 ILE A 154 146.497 -13.838 -6.564 1.00 1.70 C ATOM 2516 CD1 ILE A 154 145.683 -14.691 -4.145 1.00 1.68 C ATOM 0 H ILE A 154 143.011 -12.565 -5.418 1.00 1.29 H new ATOM 0 HA ILE A 154 145.439 -11.505 -6.649 1.00 1.35 H new ATOM 0 HB ILE A 154 144.438 -14.355 -6.916 1.00 1.50 H new ATOM 0 HG12 ILE A 154 144.617 -12.828 -4.360 1.00 1.53 H new ATOM 0 HG13 ILE A 154 143.662 -14.244 -4.753 1.00 1.53 H new ATOM 0 HG21 ILE A 154 146.772 -14.843 -6.243 1.00 1.70 H new ATOM 0 HG22 ILE A 154 146.725 -13.720 -7.623 1.00 1.70 H new ATOM 0 HG23 ILE A 154 147.062 -13.106 -5.988 1.00 1.70 H new ATOM 0 HD11 ILE A 154 145.413 -14.800 -3.095 1.00 1.68 H new ATOM 0 HD12 ILE A 154 145.700 -15.672 -4.619 1.00 1.68 H new ATOM 0 HD13 ILE A 154 146.670 -14.234 -4.220 1.00 1.68 H new ATOM 2528 N ARG A 155 143.167 -12.842 -8.630 1.00 1.34 N ATOM 2529 CA ARG A 155 142.824 -12.989 -10.075 1.00 1.39 C ATOM 2530 C ARG A 155 142.565 -11.619 -10.705 1.00 1.30 C ATOM 2531 O ARG A 155 143.038 -11.322 -11.784 1.00 1.31 O ATOM 2532 CB ARG A 155 141.551 -13.837 -10.097 1.00 1.54 C ATOM 2533 CG ARG A 155 140.353 -12.993 -9.663 1.00 1.70 C ATOM 2534 CD ARG A 155 139.104 -13.874 -9.647 1.00 2.21 C ATOM 2535 NE ARG A 155 137.970 -12.933 -9.448 1.00 2.91 N ATOM 2536 CZ ARG A 155 136.748 -13.387 -9.404 1.00 3.59 C ATOM 2537 NH1 ARG A 155 136.522 -14.668 -9.517 1.00 3.99 N ATOM 2538 NH2 ARG A 155 135.751 -12.561 -9.243 1.00 4.16 N ATOM 0 H ARG A 155 142.503 -13.264 -7.981 1.00 1.34 H new ATOM 0 HA ARG A 155 143.632 -13.450 -10.643 1.00 1.39 H new ATOM 0 HB2 ARG A 155 141.384 -14.232 -11.099 1.00 1.54 H new ATOM 0 HB3 ARG A 155 141.663 -14.693 -9.432 1.00 1.54 H new ATOM 0 HG2 ARG A 155 140.529 -12.571 -8.674 1.00 1.70 H new ATOM 0 HG3 ARG A 155 140.215 -12.156 -10.347 1.00 1.70 H new ATOM 0 HD2 ARG A 155 138.999 -14.426 -10.581 1.00 2.21 H new ATOM 0 HD3 ARG A 155 139.151 -14.610 -8.845 1.00 2.21 H new ATOM 0 HE ARG A 155 138.147 -11.934 -9.346 1.00 2.91 H new ATOM 0 HH11 ARG A 155 137.301 -15.314 -9.640 1.00 3.99 H new ATOM 0 HH12 ARG A 155 135.566 -15.022 -9.482 1.00 3.99 H new ATOM 0 HH21 ARG A 155 135.927 -11.561 -9.152 1.00 4.16 H new ATOM 0 HH22 ARG A 155 134.795 -12.916 -9.209 1.00 4.16 H new ATOM 2552 N PHE A 156 141.841 -10.771 -10.027 1.00 1.26 N ATOM 2553 CA PHE A 156 141.577 -9.414 -10.580 1.00 1.27 C ATOM 2554 C PHE A 156 142.900 -8.669 -10.759 1.00 1.22 C ATOM 2555 O PHE A 156 143.249 -8.251 -11.844 1.00 1.27 O ATOM 2556 CB PHE A 156 140.710 -8.727 -9.523 1.00 1.30 C ATOM 2557 CG PHE A 156 139.811 -7.706 -10.179 1.00 1.45 C ATOM 2558 CD1 PHE A 156 140.341 -6.495 -10.643 1.00 1.81 C ATOM 2559 CD2 PHE A 156 138.441 -7.968 -10.318 1.00 1.45 C ATOM 2560 CE1 PHE A 156 139.503 -5.548 -11.245 1.00 2.00 C ATOM 2561 CE2 PHE A 156 137.604 -7.020 -10.920 1.00 1.63 C ATOM 2562 CZ PHE A 156 138.135 -5.810 -11.384 1.00 1.84 C ATOM 0 H PHE A 156 141.422 -10.959 -9.116 1.00 1.26 H new ATOM 0 HA PHE A 156 141.087 -9.440 -11.553 1.00 1.27 H new ATOM 0 HB2 PHE A 156 140.109 -9.468 -8.996 1.00 1.30 H new ATOM 0 HB3 PHE A 156 141.343 -8.243 -8.780 1.00 1.30 H new ATOM 0 HD1 PHE A 156 141.396 -6.292 -10.536 1.00 1.81 H new ATOM 0 HD2 PHE A 156 138.031 -8.901 -9.961 1.00 1.45 H new ATOM 0 HE1 PHE A 156 139.913 -4.615 -11.602 1.00 2.00 H new ATOM 0 HE2 PHE A 156 136.548 -7.222 -11.026 1.00 1.63 H new ATOM 0 HZ PHE A 156 137.489 -5.080 -11.849 1.00 1.84 H new ATOM 2572 N SER A 157 143.663 -8.548 -9.706 1.00 1.21 N ATOM 2573 CA SER A 157 144.988 -7.872 -9.812 1.00 1.26 C ATOM 2574 C SER A 157 145.889 -8.611 -10.807 1.00 1.26 C ATOM 2575 O SER A 157 146.622 -8.003 -11.560 1.00 1.35 O ATOM 2576 CB SER A 157 145.578 -7.947 -8.404 1.00 1.32 C ATOM 2577 OG SER A 157 144.760 -7.201 -7.513 1.00 1.98 O ATOM 0 H SER A 157 143.425 -8.889 -8.775 1.00 1.21 H new ATOM 0 HA SER A 157 144.899 -6.846 -10.169 1.00 1.26 H new ATOM 0 HB2 SER A 157 145.639 -8.985 -8.077 1.00 1.32 H new ATOM 0 HB3 SER A 157 146.594 -7.552 -8.401 1.00 1.32 H new ATOM 0 HG SER A 157 144.158 -7.809 -7.035 1.00 1.98 H new ATOM 2583 N LYS A 158 145.863 -9.916 -10.800 1.00 1.24 N ATOM 2584 CA LYS A 158 146.740 -10.679 -11.731 1.00 1.30 C ATOM 2585 C LYS A 158 146.363 -10.381 -13.183 1.00 1.26 C ATOM 2586 O LYS A 158 147.213 -10.163 -14.020 1.00 1.29 O ATOM 2587 CB LYS A 158 146.493 -12.152 -11.407 1.00 1.44 C ATOM 2588 CG LYS A 158 147.444 -13.019 -12.236 1.00 1.85 C ATOM 2589 CD LYS A 158 147.313 -14.480 -11.803 1.00 2.26 C ATOM 2590 CE LYS A 158 148.115 -14.703 -10.520 1.00 3.00 C ATOM 2591 NZ LYS A 158 149.508 -14.307 -10.867 1.00 3.59 N ATOM 0 H LYS A 158 145.274 -10.485 -10.192 1.00 1.24 H new ATOM 0 HA LYS A 158 147.789 -10.409 -11.613 1.00 1.30 H new ATOM 0 HB2 LYS A 158 146.650 -12.334 -10.344 1.00 1.44 H new ATOM 0 HB3 LYS A 158 145.458 -12.416 -11.626 1.00 1.44 H new ATOM 0 HG2 LYS A 158 147.211 -12.921 -13.296 1.00 1.85 H new ATOM 0 HG3 LYS A 158 148.471 -12.680 -12.103 1.00 1.85 H new ATOM 0 HD2 LYS A 158 146.265 -14.729 -11.638 1.00 2.26 H new ATOM 0 HD3 LYS A 158 147.677 -15.139 -12.592 1.00 2.26 H new ATOM 0 HE2 LYS A 158 147.725 -14.100 -9.700 1.00 3.00 H new ATOM 0 HE3 LYS A 158 148.068 -15.744 -10.200 1.00 3.00 H new ATOM 0 HZ1 LYS A 158 150.179 -14.920 -10.362 1.00 3.59 H new ATOM 0 HZ2 LYS A 158 149.652 -14.407 -11.892 1.00 3.59 H new ATOM 0 HZ3 LYS A 158 149.667 -13.317 -10.590 1.00 3.59 H new ATOM 2605 N SER A 159 145.099 -10.410 -13.496 1.00 1.29 N ATOM 2606 CA SER A 159 144.678 -10.172 -14.906 1.00 1.41 C ATOM 2607 C SER A 159 145.108 -8.786 -15.361 1.00 1.45 C ATOM 2608 O SER A 159 145.524 -8.582 -16.484 1.00 1.56 O ATOM 2609 CB SER A 159 143.155 -10.290 -14.896 1.00 1.54 C ATOM 2610 OG SER A 159 142.791 -11.657 -14.759 1.00 2.02 O ATOM 0 H SER A 159 144.339 -10.588 -12.839 1.00 1.29 H new ATOM 0 HA SER A 159 145.133 -10.883 -15.595 1.00 1.41 H new ATOM 0 HB2 SER A 159 142.739 -9.707 -14.074 1.00 1.54 H new ATOM 0 HB3 SER A 159 142.741 -9.882 -15.818 1.00 1.54 H new ATOM 0 HG SER A 159 142.793 -11.902 -13.810 1.00 2.02 H new ATOM 2616 N LEU A 160 144.983 -7.833 -14.500 1.00 1.45 N ATOM 2617 CA LEU A 160 145.346 -6.441 -14.859 1.00 1.60 C ATOM 2618 C LEU A 160 146.813 -6.182 -14.543 1.00 1.57 C ATOM 2619 O LEU A 160 147.517 -5.529 -15.283 1.00 1.74 O ATOM 2620 CB LEU A 160 144.465 -5.573 -13.968 1.00 1.66 C ATOM 2621 CG LEU A 160 143.008 -5.763 -14.365 1.00 1.78 C ATOM 2622 CD1 LEU A 160 142.169 -6.042 -13.116 1.00 2.00 C ATOM 2623 CD2 LEU A 160 142.501 -4.491 -15.052 1.00 1.79 C ATOM 0 H LEU A 160 144.640 -7.956 -13.547 1.00 1.45 H new ATOM 0 HA LEU A 160 145.202 -6.237 -15.920 1.00 1.60 H new ATOM 0 HB2 LEU A 160 144.607 -5.844 -12.922 1.00 1.66 H new ATOM 0 HB3 LEU A 160 144.748 -4.525 -14.068 1.00 1.66 H new ATOM 0 HG LEU A 160 142.923 -6.606 -15.051 1.00 1.78 H new ATOM 0 HD11 LEU A 160 141.126 -6.178 -13.401 1.00 2.00 H new ATOM 0 HD12 LEU A 160 142.533 -6.946 -12.628 1.00 2.00 H new ATOM 0 HD13 LEU A 160 142.250 -5.201 -12.428 1.00 2.00 H new ATOM 0 HD21 LEU A 160 141.458 -4.623 -15.338 1.00 1.79 H new ATOM 0 HD22 LEU A 160 142.585 -3.648 -14.366 1.00 1.79 H new ATOM 0 HD23 LEU A 160 143.099 -4.295 -15.942 1.00 1.79 H new ATOM 2635 N GLY A 161 147.217 -6.540 -13.363 1.00 1.45 N ATOM 2636 CA GLY A 161 148.576 -6.148 -12.894 1.00 1.52 C ATOM 2637 C GLY A 161 149.546 -7.322 -13.022 1.00 1.35 C ATOM 2638 O GLY A 161 150.686 -7.229 -12.621 1.00 1.44 O ATOM 0 H GLY A 161 146.668 -7.087 -12.700 1.00 1.45 H new ATOM 0 HA2 GLY A 161 148.939 -5.303 -13.479 1.00 1.52 H new ATOM 0 HA3 GLY A 161 148.528 -5.820 -11.856 1.00 1.52 H new ATOM 2642 N LEU A 162 149.094 -8.435 -13.538 1.00 1.22 N ATOM 2643 CA LEU A 162 149.985 -9.636 -13.645 1.00 1.17 C ATOM 2644 C LEU A 162 150.901 -9.709 -12.409 1.00 1.10 C ATOM 2645 O LEU A 162 150.610 -9.115 -11.389 1.00 1.09 O ATOM 2646 CB LEU A 162 150.835 -9.459 -14.926 1.00 1.19 C ATOM 2647 CG LEU A 162 150.162 -8.553 -15.966 1.00 1.33 C ATOM 2648 CD1 LEU A 162 148.665 -8.841 -16.046 1.00 1.41 C ATOM 2649 CD2 LEU A 162 150.399 -7.095 -15.589 1.00 1.36 C ATOM 0 H LEU A 162 148.146 -8.568 -13.891 1.00 1.22 H new ATOM 0 HA LEU A 162 149.402 -10.556 -13.694 1.00 1.17 H new ATOM 0 HB2 LEU A 162 151.804 -9.039 -14.658 1.00 1.19 H new ATOM 0 HB3 LEU A 162 151.023 -10.437 -15.370 1.00 1.19 H new ATOM 0 HG LEU A 162 150.596 -8.752 -16.946 1.00 1.33 H new ATOM 0 HD11 LEU A 162 148.208 -8.188 -16.789 1.00 1.41 H new ATOM 0 HD12 LEU A 162 148.509 -9.881 -16.333 1.00 1.41 H new ATOM 0 HD13 LEU A 162 148.207 -8.660 -15.073 1.00 1.41 H new ATOM 0 HD21 LEU A 162 149.923 -6.447 -16.325 1.00 1.36 H new ATOM 0 HD22 LEU A 162 149.974 -6.900 -14.604 1.00 1.36 H new ATOM 0 HD23 LEU A 162 151.470 -6.894 -15.568 1.00 1.36 H new ATOM 2661 N PRO A 163 151.985 -10.431 -12.538 1.00 1.12 N ATOM 2662 CA PRO A 163 152.953 -10.569 -11.436 1.00 1.15 C ATOM 2663 C PRO A 163 154.069 -9.529 -11.599 1.00 1.08 C ATOM 2664 O PRO A 163 155.233 -9.867 -11.692 1.00 1.18 O ATOM 2665 CB PRO A 163 153.492 -11.981 -11.645 1.00 1.34 C ATOM 2666 CG PRO A 163 153.294 -12.281 -13.109 1.00 1.35 C ATOM 2667 CD PRO A 163 152.413 -11.202 -13.698 1.00 1.21 C ATOM 0 HA PRO A 163 152.529 -10.415 -10.444 1.00 1.15 H new ATOM 0 HB2 PRO A 163 154.545 -12.042 -11.372 1.00 1.34 H new ATOM 0 HB3 PRO A 163 152.959 -12.700 -11.023 1.00 1.34 H new ATOM 0 HG2 PRO A 163 154.254 -12.311 -13.624 1.00 1.35 H new ATOM 0 HG3 PRO A 163 152.833 -13.260 -13.237 1.00 1.35 H new ATOM 0 HD2 PRO A 163 152.960 -10.584 -14.410 1.00 1.21 H new ATOM 0 HD3 PRO A 163 151.563 -11.627 -14.232 1.00 1.21 H new ATOM 2675 N GLU A 164 153.704 -8.297 -11.830 1.00 0.99 N ATOM 2676 CA GLU A 164 154.723 -7.276 -12.218 1.00 1.04 C ATOM 2677 C GLU A 164 155.782 -7.121 -11.134 1.00 1.05 C ATOM 2678 O GLU A 164 156.963 -7.031 -11.406 1.00 1.23 O ATOM 2679 CB GLU A 164 153.937 -5.976 -12.371 1.00 1.06 C ATOM 2680 CG GLU A 164 152.828 -6.173 -13.400 1.00 1.10 C ATOM 2681 CD GLU A 164 153.286 -5.640 -14.758 1.00 1.26 C ATOM 2682 OE1 GLU A 164 154.158 -4.786 -14.774 1.00 1.57 O ATOM 2683 OE2 GLU A 164 152.758 -6.092 -15.759 1.00 1.75 O ATOM 0 H GLU A 164 152.746 -7.952 -11.767 1.00 0.99 H new ATOM 0 HA GLU A 164 155.248 -7.558 -13.130 1.00 1.04 H new ATOM 0 HB2 GLU A 164 153.511 -5.681 -11.412 1.00 1.06 H new ATOM 0 HB3 GLU A 164 154.601 -5.171 -12.686 1.00 1.06 H new ATOM 0 HG2 GLU A 164 152.576 -7.230 -13.480 1.00 1.10 H new ATOM 0 HG3 GLU A 164 151.925 -5.653 -13.080 1.00 1.10 H new ATOM 2690 N ASN A 165 155.351 -6.944 -9.929 1.00 0.91 N ATOM 2691 CA ASN A 165 156.313 -6.628 -8.830 1.00 0.97 C ATOM 2692 C ASN A 165 155.907 -7.338 -7.529 1.00 0.77 C ATOM 2693 O ASN A 165 155.750 -8.542 -7.491 1.00 0.73 O ATOM 2694 CB ASN A 165 156.237 -5.108 -8.673 1.00 1.13 C ATOM 2695 CG ASN A 165 157.460 -4.612 -7.898 1.00 1.41 C ATOM 2696 OD1 ASN A 165 157.349 -4.214 -6.755 1.00 2.00 O ATOM 2697 ND2 ASN A 165 158.630 -4.619 -8.476 1.00 1.71 N ATOM 0 H ASN A 165 154.373 -7.003 -9.646 1.00 0.91 H new ATOM 0 HA ASN A 165 157.324 -6.966 -9.056 1.00 0.97 H new ATOM 0 HB2 ASN A 165 156.197 -4.632 -9.653 1.00 1.13 H new ATOM 0 HB3 ASN A 165 155.323 -4.832 -8.147 1.00 1.13 H new ATOM 0 HD21 ASN A 165 159.452 -4.290 -7.969 1.00 1.71 H new ATOM 0 HD22 ASN A 165 158.723 -4.953 -9.435 1.00 1.71 H new ATOM 2704 N HIS A 166 155.751 -6.600 -6.460 1.00 0.78 N ATOM 2705 CA HIS A 166 155.373 -7.223 -5.159 1.00 0.72 C ATOM 2706 C HIS A 166 153.865 -7.091 -4.947 1.00 0.63 C ATOM 2707 O HIS A 166 153.407 -6.445 -4.025 1.00 0.65 O ATOM 2708 CB HIS A 166 156.141 -6.423 -4.108 1.00 0.94 C ATOM 2709 CG HIS A 166 157.615 -6.504 -4.403 1.00 1.75 C ATOM 2710 ND1 HIS A 166 158.556 -5.534 -4.648 1.00 2.50 N flip ATOM 2711 CD2 HIS A 166 158.289 -7.713 -4.476 1.00 2.54 C flip ATOM 2712 CE1 HIS A 166 159.795 -6.129 -4.870 1.00 3.18 C flip ATOM 2713 NE2 HIS A 166 159.578 -7.442 -4.754 1.00 3.21 N flip ATOM 0 H HIS A 166 155.870 -5.587 -6.434 1.00 0.78 H new ATOM 0 HA HIS A 166 155.611 -8.286 -5.112 1.00 0.72 H new ATOM 0 HB2 HIS A 166 155.813 -5.383 -4.114 1.00 0.94 H new ATOM 0 HB3 HIS A 166 155.935 -6.816 -3.112 1.00 0.94 H new ATOM 0 HD1 HIS A 166 158.375 -4.530 -4.665 1.00 2.50 H new ATOM 0 HD2 HIS A 166 157.859 -8.694 -4.335 1.00 2.54 H new ATOM 0 HE1 HIS A 166 160.730 -5.635 -5.089 1.00 3.18 H new ATOM 2721 N ILE A 167 153.096 -7.572 -5.882 1.00 0.57 N ATOM 2722 CA ILE A 167 151.625 -7.335 -5.833 1.00 0.54 C ATOM 2723 C ILE A 167 150.901 -8.594 -5.341 1.00 0.55 C ATOM 2724 O ILE A 167 150.497 -9.431 -6.124 1.00 0.63 O ATOM 2725 CB ILE A 167 151.245 -7.028 -7.282 1.00 0.56 C ATOM 2726 CG1 ILE A 167 152.013 -5.791 -7.756 1.00 0.62 C ATOM 2727 CG2 ILE A 167 149.742 -6.762 -7.377 1.00 0.60 C ATOM 2728 CD1 ILE A 167 151.890 -5.662 -9.277 1.00 0.70 C ATOM 0 H ILE A 167 153.421 -8.119 -6.679 1.00 0.57 H new ATOM 0 HA ILE A 167 151.350 -6.530 -5.152 1.00 0.54 H new ATOM 0 HB ILE A 167 151.499 -7.881 -7.911 1.00 0.56 H new ATOM 0 HG12 ILE A 167 151.618 -4.898 -7.272 1.00 0.62 H new ATOM 0 HG13 ILE A 167 153.062 -5.871 -7.471 1.00 0.62 H new ATOM 0 HG21 ILE A 167 149.476 -6.544 -8.411 1.00 0.60 H new ATOM 0 HG22 ILE A 167 149.195 -7.642 -7.039 1.00 0.60 H new ATOM 0 HG23 ILE A 167 149.483 -5.910 -6.748 1.00 0.60 H new ATOM 0 HD11 ILE A 167 152.437 -4.781 -9.613 1.00 0.70 H new ATOM 0 HD12 ILE A 167 152.306 -6.550 -9.752 1.00 0.70 H new ATOM 0 HD13 ILE A 167 150.839 -5.562 -9.550 1.00 0.70 H new ATOM 2740 N VAL A 168 150.797 -8.773 -4.049 1.00 0.54 N ATOM 2741 CA VAL A 168 150.175 -10.026 -3.523 1.00 0.60 C ATOM 2742 C VAL A 168 149.301 -9.746 -2.300 1.00 0.56 C ATOM 2743 O VAL A 168 149.261 -8.651 -1.787 1.00 0.54 O ATOM 2744 CB VAL A 168 151.356 -10.918 -3.143 1.00 0.74 C ATOM 2745 CG1 VAL A 168 150.849 -12.317 -2.789 1.00 0.84 C ATOM 2746 CG2 VAL A 168 152.325 -11.009 -4.325 1.00 0.82 C ATOM 0 H VAL A 168 151.113 -8.111 -3.340 1.00 0.54 H new ATOM 0 HA VAL A 168 149.521 -10.490 -4.261 1.00 0.60 H new ATOM 0 HB VAL A 168 151.871 -10.492 -2.282 1.00 0.74 H new ATOM 0 HG11 VAL A 168 151.693 -12.952 -2.518 1.00 0.84 H new ATOM 0 HG12 VAL A 168 150.159 -12.252 -1.948 1.00 0.84 H new ATOM 0 HG13 VAL A 168 150.334 -12.746 -3.649 1.00 0.84 H new ATOM 0 HG21 VAL A 168 153.168 -11.645 -4.056 1.00 0.82 H new ATOM 0 HG22 VAL A 168 151.810 -11.435 -5.186 1.00 0.82 H new ATOM 0 HG23 VAL A 168 152.688 -10.012 -4.576 1.00 0.82 H new ATOM 2756 N PHE A 169 148.667 -10.761 -1.780 1.00 0.62 N ATOM 2757 CA PHE A 169 147.877 -10.588 -0.529 1.00 0.63 C ATOM 2758 C PHE A 169 148.428 -11.522 0.564 1.00 0.75 C ATOM 2759 O PHE A 169 147.873 -12.562 0.853 1.00 0.91 O ATOM 2760 CB PHE A 169 146.428 -10.933 -0.926 1.00 0.71 C ATOM 2761 CG PHE A 169 146.151 -12.408 -0.739 1.00 0.89 C ATOM 2762 CD1 PHE A 169 146.820 -13.357 -1.522 1.00 0.95 C ATOM 2763 CD2 PHE A 169 145.227 -12.825 0.228 1.00 1.08 C ATOM 2764 CE1 PHE A 169 146.565 -14.722 -1.339 1.00 1.17 C ATOM 2765 CE2 PHE A 169 144.973 -14.189 0.412 1.00 1.28 C ATOM 2766 CZ PHE A 169 145.641 -15.138 -0.371 1.00 1.31 C ATOM 0 H PHE A 169 148.662 -11.704 -2.168 1.00 0.62 H new ATOM 0 HA PHE A 169 147.932 -9.581 -0.117 1.00 0.63 H new ATOM 0 HB2 PHE A 169 145.733 -10.349 -0.322 1.00 0.71 H new ATOM 0 HB3 PHE A 169 146.256 -10.656 -1.966 1.00 0.71 H new ATOM 0 HD1 PHE A 169 147.533 -13.036 -2.267 1.00 0.95 H new ATOM 0 HD2 PHE A 169 144.710 -12.094 0.832 1.00 1.08 H new ATOM 0 HE1 PHE A 169 147.080 -15.454 -1.944 1.00 1.17 H new ATOM 0 HE2 PHE A 169 144.261 -14.510 1.158 1.00 1.28 H new ATOM 0 HZ PHE A 169 145.444 -16.190 -0.229 1.00 1.31 H new ATOM 2776 N PRO A 170 149.520 -11.103 1.145 1.00 0.81 N ATOM 2777 CA PRO A 170 150.168 -11.887 2.219 1.00 1.00 C ATOM 2778 C PRO A 170 149.490 -11.596 3.552 1.00 0.96 C ATOM 2779 O PRO A 170 150.129 -11.466 4.578 1.00 1.12 O ATOM 2780 CB PRO A 170 151.598 -11.374 2.221 1.00 1.21 C ATOM 2781 CG PRO A 170 151.523 -9.986 1.658 1.00 1.14 C ATOM 2782 CD PRO A 170 150.249 -9.869 0.854 1.00 0.85 C ATOM 0 HA PRO A 170 150.109 -12.965 2.066 1.00 1.00 H new ATOM 0 HB2 PRO A 170 152.012 -11.367 3.229 1.00 1.21 H new ATOM 0 HB3 PRO A 170 152.244 -12.009 1.615 1.00 1.21 H new ATOM 0 HG2 PRO A 170 151.534 -9.249 2.461 1.00 1.14 H new ATOM 0 HG3 PRO A 170 152.389 -9.784 1.028 1.00 1.14 H new ATOM 0 HD2 PRO A 170 149.674 -8.990 1.146 1.00 0.85 H new ATOM 0 HD3 PRO A 170 150.459 -9.773 -0.211 1.00 0.85 H new ATOM 2790 N VAL A 171 148.225 -11.342 3.504 1.00 0.87 N ATOM 2791 CA VAL A 171 147.506 -10.884 4.722 1.00 1.03 C ATOM 2792 C VAL A 171 146.576 -11.984 5.243 1.00 1.17 C ATOM 2793 O VAL A 171 145.545 -12.255 4.661 1.00 1.77 O ATOM 2794 CB VAL A 171 146.709 -9.664 4.258 1.00 1.78 C ATOM 2795 CG1 VAL A 171 145.596 -9.354 5.259 1.00 2.18 C ATOM 2796 CG2 VAL A 171 147.648 -8.459 4.153 1.00 2.33 C ATOM 0 H VAL A 171 147.647 -11.431 2.668 1.00 0.87 H new ATOM 0 HA VAL A 171 148.182 -10.644 5.543 1.00 1.03 H new ATOM 0 HB VAL A 171 146.265 -9.874 3.285 1.00 1.78 H new ATOM 0 HG11 VAL A 171 145.034 -8.484 4.920 1.00 2.18 H new ATOM 0 HG12 VAL A 171 144.927 -10.211 5.336 1.00 2.18 H new ATOM 0 HG13 VAL A 171 146.033 -9.146 6.236 1.00 2.18 H new ATOM 0 HG21 VAL A 171 147.085 -7.586 3.822 1.00 2.33 H new ATOM 0 HG22 VAL A 171 148.091 -8.257 5.128 1.00 2.33 H new ATOM 0 HG23 VAL A 171 148.438 -8.675 3.433 1.00 2.33 H new ATOM 2806 N PRO A 172 146.979 -12.576 6.334 1.00 1.30 N ATOM 2807 CA PRO A 172 146.176 -13.653 6.960 1.00 1.90 C ATOM 2808 C PRO A 172 144.955 -13.048 7.652 1.00 1.90 C ATOM 2809 O PRO A 172 144.577 -11.930 7.379 1.00 1.76 O ATOM 2810 CB PRO A 172 147.135 -14.276 7.971 1.00 2.34 C ATOM 2811 CG PRO A 172 148.126 -13.200 8.288 1.00 2.15 C ATOM 2812 CD PRO A 172 148.212 -12.299 7.082 1.00 1.65 C ATOM 0 HA PRO A 172 145.795 -14.386 6.249 1.00 1.90 H new ATOM 0 HB2 PRO A 172 146.606 -14.600 8.867 1.00 2.34 H new ATOM 0 HB3 PRO A 172 147.628 -15.155 7.556 1.00 2.34 H new ATOM 0 HG2 PRO A 172 147.813 -12.636 9.167 1.00 2.15 H new ATOM 0 HG3 PRO A 172 149.101 -13.631 8.516 1.00 2.15 H new ATOM 0 HD2 PRO A 172 148.274 -11.250 7.373 1.00 1.65 H new ATOM 0 HD3 PRO A 172 149.097 -12.517 6.485 1.00 1.65 H new ATOM 2820 N ILE A 173 144.349 -13.758 8.559 1.00 2.48 N ATOM 2821 CA ILE A 173 143.178 -13.179 9.281 1.00 2.80 C ATOM 2822 C ILE A 173 143.640 -12.563 10.613 1.00 2.68 C ATOM 2823 O ILE A 173 144.064 -11.425 10.655 1.00 2.93 O ATOM 2824 CB ILE A 173 142.224 -14.354 9.504 1.00 3.47 C ATOM 2825 CG1 ILE A 173 141.891 -14.990 8.152 1.00 3.87 C ATOM 2826 CG2 ILE A 173 140.934 -13.849 10.154 1.00 3.94 C ATOM 2827 CD1 ILE A 173 141.195 -16.332 8.376 1.00 4.23 C ATOM 0 H ILE A 173 144.608 -14.706 8.832 1.00 2.48 H new ATOM 0 HA ILE A 173 142.690 -12.380 8.723 1.00 2.80 H new ATOM 0 HB ILE A 173 142.695 -15.090 10.155 1.00 3.47 H new ATOM 0 HG12 ILE A 173 141.247 -14.326 7.575 1.00 3.87 H new ATOM 0 HG13 ILE A 173 142.802 -15.134 7.572 1.00 3.87 H new ATOM 0 HG21 ILE A 173 140.255 -14.686 10.313 1.00 3.94 H new ATOM 0 HG22 ILE A 173 141.167 -13.384 11.112 1.00 3.94 H new ATOM 0 HG23 ILE A 173 140.460 -13.116 9.501 1.00 3.94 H new ATOM 0 HD11 ILE A 173 140.958 -16.784 7.413 1.00 4.23 H new ATOM 0 HD12 ILE A 173 141.855 -16.995 8.936 1.00 4.23 H new ATOM 0 HD13 ILE A 173 140.275 -16.175 8.939 1.00 4.23 H new ATOM 2839 N ASP A 174 143.697 -13.335 11.667 1.00 2.73 N ATOM 2840 CA ASP A 174 144.294 -12.816 12.934 1.00 2.79 C ATOM 2841 C ASP A 174 143.686 -11.460 13.306 1.00 2.32 C ATOM 2842 O ASP A 174 144.382 -10.550 13.711 1.00 2.69 O ATOM 2843 CB ASP A 174 145.788 -12.669 12.637 1.00 3.79 C ATOM 2844 CG ASP A 174 146.564 -12.580 13.953 1.00 3.86 C ATOM 2845 OD1 ASP A 174 146.249 -11.708 14.746 1.00 3.80 O ATOM 2846 OD2 ASP A 174 147.461 -13.385 14.145 1.00 4.39 O ATOM 0 H ASP A 174 143.358 -14.296 11.706 1.00 2.73 H new ATOM 0 HA ASP A 174 144.105 -13.483 13.775 1.00 2.79 H new ATOM 0 HB2 ASP A 174 146.139 -13.520 12.053 1.00 3.79 H new ATOM 0 HB3 ASP A 174 145.964 -11.776 12.038 1.00 3.79 H new ATOM 2851 N GLN A 175 142.392 -11.329 13.213 1.00 1.95 N ATOM 2852 CA GLN A 175 141.745 -10.052 13.601 1.00 2.14 C ATOM 2853 C GLN A 175 142.032 -9.740 15.073 1.00 1.63 C ATOM 2854 O GLN A 175 142.174 -10.632 15.886 1.00 1.70 O ATOM 2855 CB GLN A 175 140.257 -10.303 13.372 1.00 2.78 C ATOM 2856 CG GLN A 175 139.796 -11.502 14.203 1.00 2.84 C ATOM 2857 CD GLN A 175 138.370 -11.879 13.798 1.00 3.66 C ATOM 2858 OE1 GLN A 175 137.419 -11.835 14.689 1.00 3.93 O flip ATOM 2859 NE2 GLN A 175 138.119 -12.216 12.657 1.00 4.44 N flip ATOM 0 H GLN A 175 141.756 -12.055 12.884 1.00 1.95 H new ATOM 0 HA GLN A 175 142.110 -9.198 13.030 1.00 2.14 H new ATOM 0 HB2 GLN A 175 139.684 -9.418 13.647 1.00 2.78 H new ATOM 0 HB3 GLN A 175 140.069 -10.489 12.314 1.00 2.78 H new ATOM 0 HG2 GLN A 175 140.466 -12.347 14.046 1.00 2.84 H new ATOM 0 HG3 GLN A 175 139.833 -11.259 15.265 1.00 2.84 H new ATOM 0 HE21 GLN A 175 138.863 -12.250 11.960 1.00 4.44 H new ATOM 0 HE22 GLN A 175 137.164 -12.464 12.397 1.00 4.44 H new ATOM 2868 N CYS A 176 142.284 -8.497 15.384 1.00 1.67 N ATOM 2869 CA CYS A 176 142.757 -8.156 16.758 1.00 1.37 C ATOM 2870 C CYS A 176 141.602 -8.208 17.762 1.00 1.71 C ATOM 2871 O CYS A 176 141.811 -8.164 18.959 1.00 2.55 O ATOM 2872 CB CYS A 176 143.306 -6.732 16.650 1.00 1.28 C ATOM 2873 SG CYS A 176 144.903 -6.639 17.501 1.00 1.58 S ATOM 0 H CYS A 176 142.183 -7.705 14.749 1.00 1.67 H new ATOM 0 HA CYS A 176 143.509 -8.861 17.112 1.00 1.37 H new ATOM 0 HB2 CYS A 176 143.422 -6.453 15.603 1.00 1.28 H new ATOM 0 HB3 CYS A 176 142.604 -6.025 17.092 1.00 1.28 H new ATOM 2878 N ILE A 177 140.388 -8.323 17.296 1.00 1.66 N ATOM 2879 CA ILE A 177 139.241 -8.401 18.247 1.00 2.14 C ATOM 2880 C ILE A 177 139.193 -9.789 18.890 1.00 2.27 C ATOM 2881 O ILE A 177 138.486 -10.016 19.852 1.00 2.94 O ATOM 2882 CB ILE A 177 137.983 -8.145 17.410 1.00 2.82 C ATOM 2883 CG1 ILE A 177 137.688 -9.362 16.529 1.00 3.13 C ATOM 2884 CG2 ILE A 177 138.188 -6.913 16.524 1.00 3.62 C ATOM 2885 CD1 ILE A 177 136.274 -9.867 16.825 1.00 4.17 C ATOM 0 H ILE A 177 140.141 -8.366 16.307 1.00 1.66 H new ATOM 0 HA ILE A 177 139.329 -7.674 19.054 1.00 2.14 H new ATOM 0 HB ILE A 177 137.142 -7.971 18.081 1.00 2.82 H new ATOM 0 HG12 ILE A 177 137.778 -9.094 15.476 1.00 3.13 H new ATOM 0 HG13 ILE A 177 138.416 -10.150 16.721 1.00 3.13 H new ATOM 0 HG21 ILE A 177 137.290 -6.737 15.932 1.00 3.62 H new ATOM 0 HG22 ILE A 177 138.386 -6.043 17.150 1.00 3.62 H new ATOM 0 HG23 ILE A 177 139.035 -7.081 15.858 1.00 3.62 H new ATOM 0 HD11 ILE A 177 136.059 -10.734 16.200 1.00 4.17 H new ATOM 0 HD12 ILE A 177 136.201 -10.150 17.875 1.00 4.17 H new ATOM 0 HD13 ILE A 177 135.553 -9.078 16.611 1.00 4.17 H new ATOM 2897 N ASP A 178 139.952 -10.716 18.372 1.00 2.49 N ATOM 2898 CA ASP A 178 139.973 -12.077 18.945 1.00 3.44 C ATOM 2899 C ASP A 178 141.118 -12.209 19.952 1.00 4.09 C ATOM 2900 O ASP A 178 141.326 -13.251 20.540 1.00 5.11 O ATOM 2901 CB ASP A 178 140.209 -12.982 17.742 1.00 4.14 C ATOM 2902 CG ASP A 178 138.948 -13.028 16.878 1.00 4.36 C ATOM 2903 OD1 ASP A 178 137.900 -12.648 17.373 1.00 4.45 O ATOM 2904 OD2 ASP A 178 139.052 -13.440 15.735 1.00 4.87 O ATOM 0 H ASP A 178 140.563 -10.579 17.567 1.00 2.49 H new ATOM 0 HA ASP A 178 139.057 -12.326 19.481 1.00 3.44 H new ATOM 0 HB2 ASP A 178 141.050 -12.612 17.156 1.00 4.14 H new ATOM 0 HB3 ASP A 178 140.470 -13.986 18.076 1.00 4.14 H new ATOM 2909 N GLY A 179 141.869 -11.159 20.146 1.00 3.81 N ATOM 2910 CA GLY A 179 143.007 -11.220 21.106 1.00 4.91 C ATOM 2911 C GLY A 179 142.734 -10.283 22.284 1.00 5.58 C ATOM 2912 O GLY A 179 143.376 -9.247 22.352 1.00 5.87 O ATOM 2913 OXT GLY A 179 141.887 -10.616 23.096 1.00 6.09 O ATOM 0 H GLY A 179 141.743 -10.260 19.680 1.00 3.81 H new ATOM 0 HA2 GLY A 179 143.140 -12.241 21.463 1.00 4.91 H new ATOM 0 HA3 GLY A 179 143.933 -10.934 20.607 1.00 4.91 H new TER 2917 GLY A 179 CONECT 1246 2873 CONECT 2873 1246 END