USER MOD reduce.3.24.130724 H: found=0, std=0, add=1323, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1341 hydrogens (25 hets) HEADER APOPTOSIS/INHIBITOR 07-MAY-19 6OVC TITLE HMCL1 INHIBITOR COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION PROTEIN MCL- COMPND 3 1; COMPND 4 CHAIN: A; COMPND 5 SYNONYM: BCL-2-LIKE PROTEIN 3,BCL2-L-3,BCL-2-RELATED PROTEIN COMPND 6 EAT/MCL1,MCL1/EAT; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: MCL1, BCL2L3; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI K-12; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 83333 KEYWDS INHIBITOR, MCL1 SMALL MOLECULE COMPLEX, APOPTOSIS, APOPTOSIS- KEYWDS 2 INHIBITOR COMPLEX EXPDTA SOLUTION NMR AUTHOR L.POPPE REVDAT 1 22-MAY-19 6OVC 0 JRNL AUTH S.CAENEPEEL,S.P.BROWN,B.BELMONTES,G.MOODY,K.S.KEEGAN,D.CHUI, JRNL AUTH 2 D.A.WHITTINGTON,X.HUANG,L.POPPE,A.C.CHENG,M.CARDOZO,J.HOUZE, JRNL AUTH 3 Y.LI,B.LUCAS,N.A.PARAS,X.WANG,J.P.TAYGERLY,M.VIMOLRATANA, JRNL AUTH 4 M.ZANCANELLA,L.ZHU,E.CAJULIS,T.OSGOOD,J.SUN,L.DAMON, JRNL AUTH 5 R.K.EGAN,P.GRENINGER,J.D.MCCLANAGHAN,J.GONG,D.MOUJALLED, JRNL AUTH 6 G.POMILIO,P.BELTRAN,C.H.BENES,A.W.ROBERTS,D.C.HUANG,A.WEI, JRNL AUTH 7 J.CANON,A.COXON,P.E.HUGHES JRNL TITL AMG 176, A SELECTIVE MCL1 INHIBITOR, IS EFFECTIVE IN JRNL TITL 2 HEMATOLOGIC CANCER MODELS ALONE AND IN COMBINATION WITH JRNL TITL 3 ESTABLISHED THERAPIES. JRNL REF CANCER DISCOV V. 8 1582 2018 JRNL REFN ESSN 2159-8290 JRNL PMID 30254093 JRNL DOI 10.1158/2159-8290.CD-18-0387 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : MOE REMARK 3 AUTHORS : CCG REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE AUTHOR STATES THAT THE SMALL REMARK 3 MOLECULE - PROTEIN COMPLEX WAS OBTAINED BY LIGAND-PROTEIN NOE REMARK 3 CONSTRAINTS DOCKING OF A SMALL MOLECULE TO A PREVIOUSLY OBTAINED REMARK 3 NMR STRUCTURE OF THE APO FORM (PDB ENTRY 2MHS). REMARK 4 REMARK 4 6OVC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-MAY-19. REMARK 100 THE DEPOSITION ID IS D_1000241297. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298; 310 REMARK 210 PH : 7.4; 7.4 REMARK 210 IONIC STRENGTH : 50; 50 REMARK 210 PRESSURE : 1 ATM; 1 ATM REMARK 210 SAMPLE CONTENTS : 0.5 MM [U-99% 13C; U-99% 15N] REMARK 210 HUMAN MCL1 PROTEIN, 0.5 MM SMALL REMARK 210 MOLECULE, 20 MM SODIUM PHOSPHATE, REMARK 210 50 MM SODIUM CHLORIDE, 90% H2O/ REMARK 210 10% D2O; 0.5 MM [U-99% 13C; U-99% REMARK 210 15N] HMCL1 PROTEIN, 0.25 MG/L REMARK 210 SMALL MOLECULE, 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D X-FILTERED NOESY; 2D X REMARK 210 FILTERED NOESY-HSQC; 2D HSQC- REMARK 210 NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : TOPSPIN 3.0, MATLAB REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 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 ASP A 26 143.99 64.70 REMARK 500 ARG A 32 -119.37 52.95 REMARK 500 LEU A 63 -21.78 -140.53 REMARK 500 PHE A 85 -81.87 -85.84 REMARK 500 SER A 86 -103.17 53.25 REMARK 500 VAL A 89 128.50 61.87 REMARK 500 TRP A 92 -5.29 63.77 REMARK 500 GLU A 115 -25.94 -145.15 REMARK 500 PHE A 150 -69.58 -129.30 REMARK 500 ASP A 154 35.67 -87.74 REMARK 500 HIS A 159 -166.00 49.89 REMARK 500 HIS A 160 87.09 61.40 REMARK 500 HIS A 163 -91.10 56.27 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue N8J A 201 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2MHS RELATED DB: PDB REMARK 900 RELATED ID: 30610 RELATED DB: BMRB REMARK 900 HMCL1 INHIBITOR COMPLEX DBREF 6OVC A 2 158 UNP Q07820 MCL1_HUMAN 171 327 SEQADV 6OVC MET A 1 UNP Q07820 INITIATING METHIONINE SEQADV 6OVC SER A 117 UNP Q07820 CYS 286 CONFLICT SEQADV 6OVC HIS A 159 UNP Q07820 EXPRESSION TAG SEQADV 6OVC HIS A 160 UNP Q07820 EXPRESSION TAG SEQADV 6OVC HIS A 161 UNP Q07820 EXPRESSION TAG SEQADV 6OVC HIS A 162 UNP Q07820 EXPRESSION TAG SEQADV 6OVC HIS A 163 UNP Q07820 EXPRESSION TAG SEQADV 6OVC HIS A 164 UNP Q07820 EXPRESSION TAG SEQRES 1 A 164 MET GLU ASP GLU LEU TYR ARG GLN SER LEU GLU ILE ILE SEQRES 2 A 164 SER ARG TYR LEU ARG GLU GLN ALA THR GLY ALA LYS ASP SEQRES 3 A 164 THR LYS PRO MET GLY ARG SER GLY ALA THR SER ARG LYS SEQRES 4 A 164 ALA LEU GLU THR LEU ARG ARG VAL GLY ASP GLY VAL GLN SEQRES 5 A 164 ARG ASN HIS GLU THR ALA PHE GLN GLY MET LEU ARG LYS SEQRES 6 A 164 LEU ASP ILE LYS ASN GLU ASP ASP VAL LYS SER LEU SER SEQRES 7 A 164 ARG VAL MET ILE HIS VAL PHE SER ASP GLY VAL THR ASN SEQRES 8 A 164 TRP GLY ARG ILE VAL THR LEU ILE SER PHE GLY ALA PHE SEQRES 9 A 164 VAL ALA LYS HIS LEU LYS THR ILE ASN GLN GLU SER SER SEQRES 10 A 164 ILE GLU PRO LEU ALA GLU SER ILE THR ASP VAL LEU VAL SEQRES 11 A 164 ARG THR LYS ARG ASP TRP LEU VAL LYS GLN ARG GLY TRP SEQRES 12 A 164 ASP GLY PHE VAL GLU PHE PHE HIS VAL GLU ASP LEU GLU SEQRES 13 A 164 GLY GLY HIS HIS HIS HIS HIS HIS HET N8J A 201 61 HETNAM N8J (2S)-N-(BENZYLSULFONYL)-4-(CYCLOBUTYLMETHYL)-2-(2,4- HETNAM 2 N8J DICHLOROPHENYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6- HETNAM 3 N8J CARBOXAMIDE FORMUL 2 N8J C27 H26 CL2 N2 O4 S HELIX 1 AA1 LEU A 5 THR A 22 1 18 HELIX 2 AA2 GLY A 34 GLY A 48 1 15 HELIX 3 AA3 HIS A 55 GLY A 61 1 7 HELIX 4 AA4 GLU A 71 SER A 76 1 6 HELIX 5 AA5 LEU A 77 ARG A 79 5 3 HELIX 6 AA6 VAL A 80 SER A 86 1 7 HELIX 7 AA7 ILE A 95 ILE A 112 1 18 HELIX 8 AA8 ILE A 118 LYS A 133 1 16 HELIX 9 AA9 ASP A 135 ARG A 141 1 7 HELIX 10 AB1 ARG A 141 HIS A 151 1 11 HELIX 11 AB2 GLU A 153 GLY A 157 5 5 SITE *** AC1 8 HIS A 55 MET A 62 LEU A 66 VAL A 84 SITE *** AC1 8 ARG A 94 THR A 97 LEU A 98 PHE A 101 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 0 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 139 LYS NZ :NH3+ -117:sc= 0.246 (180deg=-0.0355) USER MOD Set 1.2: A 140 GLN : amide:sc= 0.226 K(o=0.47,f=-0.42) USER MOD Set 2.1: A 114 GLN : amide:sc= 0.777 K(o=1.6,f=-1.3) USER MOD Set 2.2: A 117 SER OG : rot 160:sc= 0.868 USER MOD Set 3.1: A 78 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 124 SER OG : rot -160:sc= 0 USER MOD Set 4.1: A 55 HIS : no HD1:sc= -0.358 X(o=0.43,f=-0.017) USER MOD Set 4.2: A 97 THR OG1 : rot 172:sc= 0.791 USER MOD Set 5.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 20 GLN : amide:sc= 0.651 K(o=0.87,f=-0.23) USER MOD Set 5.3: A 52 GLN : amide:sc= 0.217 X(o=0.87,f=0.4) USER MOD Single : A 1 MET CE :methyl -173:sc= 0 (180deg=-0.0453) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0568) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.686 K(o=-0.69,f=-1.2) USER MOD Single : A 9 SER OG : rot 62:sc= 0.849 USER MOD Single : A 14 SER OG : rot -75:sc= 0.826 USER MOD Single : A 22 THR OG1 : rot -27:sc= 1.12 USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= 0.571 (180deg=0.33) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.17) USER MOD Single : A 30 MET CE :methyl 172:sc= -0.198 (180deg=-0.38) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -90:sc= 0.557 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= 0.796 (180deg=0.401) USER MOD Single : A 43 THR OG1 : rot 74:sc= 0.319 USER MOD Single : A 54 ASN : amide:sc=-0.00138 K(o=-0.0014,f=-0.69) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0932 K(o=-0.093,f=-2.8!) USER MOD Single : A 62 MET CE :methyl -170:sc= -0.637 (180deg=-1.4) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0.504 K(o=0.5,f=-0.076) USER MOD Single : A 75 LYS NZ :NH3+ 157:sc= 0.849 (180deg=0.531) USER MOD Single : A 76 SER OG : rot 93:sc= 0.65 USER MOD Single : A 81 MET CE :methyl 156:sc= 0 (180deg=-0.375) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -162:sc= 0.168 USER MOD Single : A 91 ASN : amide:sc= 0.00141 K(o=0.0014,f=-0.63) USER MOD Single : A 100 SER OG : rot -76:sc= 0.809 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0222 K(o=-0.022,f=-1.1) USER MOD Single : A 110 LYS NZ :NH3+ -168:sc= 0.929 (180deg=0.777) USER MOD Single : A 111 THR OG1 : rot 65:sc= 0.239 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 72:sc= 0.995 USER MOD Single : A 132 THR OG1 : rot -77:sc= 0.0423 USER MOD Single : A 133 LYS NZ :NH3+ -123:sc= 0.0374 (180deg=-0.384) USER MOD Single : A 151 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 159 HIS : no HE2:sc= 0.654 K(o=0.65,f=-2.1!) USER MOD Single : A 160 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 161 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.31) USER MOD Single : A 162 HIS : no HD1:sc=-0.00236 X(o=-0.0024,f=-0.0024) USER MOD Single : A 163 HIS : no HD1:sc= -0.0217 X(o=-0.022,f=-0.022) USER MOD Single : A 164 HIS : no HD1:sc= -0.316 X(o=-0.32,f=0.0035) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.294 2.191 -0.686 1.00 0.00 N1+ ATOM 2 CA MET A 1 0.035 3.413 0.081 1.00 0.00 C ATOM 3 C MET A 1 1.261 4.106 -0.513 1.00 0.00 C ATOM 4 O MET A 1 1.118 5.155 -1.141 1.00 0.00 O ATOM 5 CB MET A 1 0.212 3.142 1.587 1.00 0.00 C ATOM 6 CG MET A 1 -1.111 2.749 2.254 1.00 0.00 C ATOM 7 SD MET A 1 -1.034 2.488 4.049 1.00 0.00 S ATOM 8 CE MET A 1 0.007 1.007 4.141 1.00 0.00 C ATOM 0 H1 MET A 1 -1.203 1.808 -0.356 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.363 2.424 -1.697 1.00 0.00 H new ATOM 0 H3 MET A 1 0.452 1.481 -0.544 1.00 0.00 H new ATOM 0 HA MET A 1 -0.818 4.086 -0.006 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.942 2.345 1.730 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.613 4.032 2.072 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.846 3.527 2.049 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.476 1.834 1.787 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.043 0.651 5.171 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.411 0.229 3.502 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.015 1.250 3.805 1.00 0.00 H new ATOM 20 N GLU A 2 2.459 3.524 -0.359 1.00 0.00 N ATOM 21 CA GLU A 2 3.703 4.098 -0.877 1.00 0.00 C ATOM 22 C GLU A 2 3.747 4.077 -2.416 1.00 0.00 C ATOM 23 O GLU A 2 3.331 3.110 -3.059 1.00 0.00 O ATOM 24 CB GLU A 2 4.911 3.376 -0.257 1.00 0.00 C ATOM 25 CG GLU A 2 6.244 4.004 -0.688 1.00 0.00 C ATOM 26 CD GLU A 2 7.434 3.406 0.069 1.00 0.00 C ATOM 27 OE1 GLU A 2 8.136 4.178 0.762 1.00 0.00 O ATOM 28 OE2 GLU A 2 7.680 2.185 -0.069 1.00 0.00 O1- ATOM 0 H GLU A 2 2.590 2.639 0.131 1.00 0.00 H new ATOM 0 HA GLU A 2 3.745 5.148 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.832 3.406 0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.894 2.326 -0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.385 3.856 -1.759 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.210 5.080 -0.517 1.00 0.00 H new ATOM 35 N ASP A 3 4.289 5.155 -2.988 1.00 0.00 N ATOM 36 CA ASP A 3 4.489 5.381 -4.420 1.00 0.00 C ATOM 37 C ASP A 3 5.712 6.299 -4.624 1.00 0.00 C ATOM 38 O ASP A 3 6.240 6.853 -3.658 1.00 0.00 O ATOM 39 CB ASP A 3 3.200 6.008 -4.986 1.00 0.00 C ATOM 40 CG ASP A 3 3.209 6.092 -6.515 1.00 0.00 C ATOM 41 OD1 ASP A 3 3.237 7.226 -7.045 1.00 0.00 O ATOM 42 OD2 ASP A 3 3.219 5.022 -7.166 1.00 0.00 O1- ATOM 0 H ASP A 3 4.620 5.941 -2.429 1.00 0.00 H new ATOM 0 HA ASP A 3 4.688 4.448 -4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.342 5.419 -4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.074 7.008 -4.571 1.00 0.00 H new ATOM 47 N GLU A 4 6.137 6.542 -5.870 1.00 0.00 N ATOM 48 CA GLU A 4 7.136 7.579 -6.169 1.00 0.00 C ATOM 49 C GLU A 4 6.611 9.003 -5.902 1.00 0.00 C ATOM 50 O GLU A 4 7.405 9.894 -5.587 1.00 0.00 O ATOM 51 CB GLU A 4 7.634 7.443 -7.617 1.00 0.00 C ATOM 52 CG GLU A 4 8.450 6.163 -7.854 1.00 0.00 C ATOM 53 CD GLU A 4 9.669 6.072 -6.924 1.00 0.00 C ATOM 54 OE1 GLU A 4 9.687 5.172 -6.052 1.00 0.00 O ATOM 55 OE2 GLU A 4 10.591 6.912 -7.058 1.00 0.00 O1- ATOM 0 H GLU A 4 5.805 6.034 -6.690 1.00 0.00 H new ATOM 0 HA GLU A 4 7.973 7.422 -5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.778 7.452 -8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.246 8.309 -7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.811 5.293 -7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.783 6.133 -8.891 1.00 0.00 H new ATOM 62 N LEU A 5 5.284 9.201 -5.912 1.00 0.00 N ATOM 63 CA LEU A 5 4.627 10.440 -5.490 1.00 0.00 C ATOM 64 C LEU A 5 4.652 10.626 -3.961 1.00 0.00 C ATOM 65 O LEU A 5 4.545 11.760 -3.494 1.00 0.00 O ATOM 66 CB LEU A 5 3.187 10.445 -6.043 1.00 0.00 C ATOM 67 CG LEU A 5 2.396 11.753 -5.825 1.00 0.00 C ATOM 68 CD1 LEU A 5 3.043 12.958 -6.520 1.00 0.00 C ATOM 69 CD2 LEU A 5 0.975 11.596 -6.367 1.00 0.00 C ATOM 0 H LEU A 5 4.626 8.486 -6.221 1.00 0.00 H new ATOM 0 HA LEU A 5 5.178 11.288 -5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.226 10.239 -7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.636 9.626 -5.580 1.00 0.00 H new ATOM 0 HG LEU A 5 2.391 11.939 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.445 13.850 -6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.049 13.107 -6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.095 12.774 -7.593 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.422 12.522 -6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.015 11.373 -7.433 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.474 10.781 -5.844 1.00 0.00 H new ATOM 81 N TYR A 6 4.866 9.560 -3.173 1.00 0.00 N ATOM 82 CA TYR A 6 4.941 9.644 -1.709 1.00 0.00 C ATOM 83 C TYR A 6 6.210 10.361 -1.208 1.00 0.00 C ATOM 84 O TYR A 6 6.179 10.967 -0.134 1.00 0.00 O ATOM 85 CB TYR A 6 4.790 8.251 -1.081 1.00 0.00 C ATOM 86 CG TYR A 6 4.599 8.288 0.425 1.00 0.00 C ATOM 87 CD1 TYR A 6 5.619 7.833 1.284 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.414 8.825 0.967 1.00 0.00 C ATOM 89 CE1 TYR A 6 5.465 7.930 2.679 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.254 8.922 2.360 1.00 0.00 C ATOM 91 CZ TYR A 6 4.284 8.484 3.221 1.00 0.00 C ATOM 92 OH TYR A 6 4.149 8.629 4.568 1.00 0.00 O ATOM 0 H TYR A 6 4.992 8.615 -3.536 1.00 0.00 H new ATOM 0 HA TYR A 6 4.105 10.263 -1.383 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.938 7.746 -1.536 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.674 7.658 -1.314 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.522 7.408 0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.626 9.163 0.310 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.249 7.581 3.335 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.343 9.331 2.772 1.00 0.00 H new ATOM 0 HH TYR A 6 3.276 9.027 4.768 1.00 0.00 H new ATOM 102 N ARG A 7 7.267 10.424 -2.036 1.00 0.00 N ATOM 103 CA ARG A 7 8.472 11.236 -1.795 1.00 0.00 C ATOM 104 C ARG A 7 8.235 12.740 -2.024 1.00 0.00 C ATOM 105 O ARG A 7 9.081 13.556 -1.658 1.00 0.00 O ATOM 106 CB ARG A 7 9.660 10.736 -2.641 1.00 0.00 C ATOM 107 CG ARG A 7 10.081 9.285 -2.349 1.00 0.00 C ATOM 108 CD ARG A 7 9.334 8.269 -3.228 1.00 0.00 C ATOM 109 NE ARG A 7 9.789 6.886 -3.010 1.00 0.00 N ATOM 110 CZ ARG A 7 9.483 6.105 -1.973 1.00 0.00 C ATOM 111 NH1 ARG A 7 8.746 6.528 -0.963 1.00 0.00 N1+ ATOM 112 NH2 ARG A 7 9.927 4.864 -1.936 1.00 0.00 N1+ ATOM 0 H ARG A 7 7.308 9.900 -2.910 1.00 0.00 H new ATOM 0 HA ARG A 7 8.719 11.112 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 7 9.400 10.821 -3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.514 11.391 -2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.154 9.181 -2.511 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.894 9.060 -1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.266 8.332 -3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.472 8.531 -4.277 1.00 0.00 H new ATOM 0 HE ARG A 7 10.399 6.485 -3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.389 7.483 -0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.534 5.900 -0.188 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.502 4.505 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.696 4.263 -1.145 1.00 0.00 H new ATOM 126 N GLN A 8 7.071 13.104 -2.577 1.00 0.00 N ATOM 127 CA GLN A 8 6.567 14.471 -2.724 1.00 0.00 C ATOM 128 C GLN A 8 5.365 14.753 -1.790 1.00 0.00 C ATOM 129 O GLN A 8 4.932 15.901 -1.677 1.00 0.00 O ATOM 130 CB GLN A 8 6.229 14.683 -4.212 1.00 0.00 C ATOM 131 CG GLN A 8 6.069 16.157 -4.605 1.00 0.00 C ATOM 132 CD GLN A 8 6.139 16.361 -6.117 1.00 0.00 C ATOM 133 OE1 GLN A 8 7.058 16.997 -6.624 1.00 0.00 O ATOM 134 NE2 GLN A 8 5.168 15.859 -6.865 1.00 0.00 N ATOM 0 H GLN A 8 6.422 12.413 -2.954 1.00 0.00 H new ATOM 0 HA GLN A 8 7.328 15.188 -2.418 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.015 14.237 -4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.306 14.152 -4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.114 16.529 -4.234 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.849 16.746 -4.124 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.410 15.332 -6.431 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.178 15.999 -7.875 1.00 0.00 H new ATOM 143 N SER A 9 4.838 13.727 -1.101 1.00 0.00 N ATOM 144 CA SER A 9 3.665 13.814 -0.219 1.00 0.00 C ATOM 145 C SER A 9 4.078 14.035 1.239 1.00 0.00 C ATOM 146 O SER A 9 3.671 15.017 1.862 1.00 0.00 O ATOM 147 CB SER A 9 2.818 12.535 -0.316 1.00 0.00 C ATOM 148 OG SER A 9 2.421 12.253 -1.646 1.00 0.00 O ATOM 0 H SER A 9 5.229 12.786 -1.145 1.00 0.00 H new ATOM 0 HA SER A 9 3.074 14.668 -0.550 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.389 11.693 0.077 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.932 12.640 0.311 1.00 0.00 H new ATOM 0 HG SER A 9 3.215 12.101 -2.199 1.00 0.00 H new ATOM 154 N LEU A 10 4.914 13.132 1.772 1.00 0.00 N ATOM 155 CA LEU A 10 5.404 13.140 3.155 1.00 0.00 C ATOM 156 C LEU A 10 6.370 14.313 3.392 1.00 0.00 C ATOM 157 O LEU A 10 6.420 14.871 4.487 1.00 0.00 O ATOM 158 CB LEU A 10 6.036 11.752 3.403 1.00 0.00 C ATOM 159 CG LEU A 10 6.464 11.345 4.831 1.00 0.00 C ATOM 160 CD1 LEU A 10 7.852 11.860 5.221 1.00 0.00 C ATOM 161 CD2 LEU A 10 5.445 11.733 5.903 1.00 0.00 C ATOM 0 H LEU A 10 5.280 12.348 1.231 1.00 0.00 H new ATOM 0 HA LEU A 10 4.600 13.301 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.325 11.004 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.918 11.678 2.766 1.00 0.00 H new ATOM 0 HG LEU A 10 6.511 10.257 4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.088 11.538 6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.595 11.461 4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.862 12.949 5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.808 11.418 6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.306 12.814 5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.493 11.244 5.695 1.00 0.00 H new ATOM 173 N GLU A 11 7.032 14.773 2.327 1.00 0.00 N ATOM 174 CA GLU A 11 7.979 15.890 2.305 1.00 0.00 C ATOM 175 C GLU A 11 7.312 17.280 2.371 1.00 0.00 C ATOM 176 O GLU A 11 8.017 18.287 2.456 1.00 0.00 O ATOM 177 CB GLU A 11 8.859 15.727 1.054 1.00 0.00 C ATOM 178 CG GLU A 11 10.097 14.849 1.305 1.00 0.00 C ATOM 179 CD GLU A 11 9.783 13.486 1.939 1.00 0.00 C ATOM 180 OE1 GLU A 11 10.217 13.266 3.094 1.00 0.00 O ATOM 181 OE2 GLU A 11 9.121 12.649 1.281 1.00 0.00 O1- ATOM 0 H GLU A 11 6.915 14.352 1.405 1.00 0.00 H new ATOM 0 HA GLU A 11 8.586 15.852 3.210 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.265 15.288 0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.180 16.710 0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.612 14.687 0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.786 15.389 1.954 1.00 0.00 H new ATOM 188 N ILE A 12 5.974 17.350 2.397 1.00 0.00 N ATOM 189 CA ILE A 12 5.206 18.575 2.673 1.00 0.00 C ATOM 190 C ILE A 12 4.897 18.690 4.170 1.00 0.00 C ATOM 191 O ILE A 12 4.910 19.789 4.725 1.00 0.00 O ATOM 192 CB ILE A 12 3.918 18.592 1.811 1.00 0.00 C ATOM 193 CG1 ILE A 12 4.337 18.756 0.339 1.00 0.00 C ATOM 194 CG2 ILE A 12 2.957 19.732 2.211 1.00 0.00 C ATOM 195 CD1 ILE A 12 3.224 18.556 -0.692 1.00 0.00 C ATOM 0 H ILE A 12 5.381 16.539 2.223 1.00 0.00 H new ATOM 0 HA ILE A 12 5.802 19.446 2.401 1.00 0.00 H new ATOM 0 HB ILE A 12 3.379 17.658 1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.754 19.755 0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.136 18.046 0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.071 19.700 1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.662 19.611 3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.458 20.692 2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.628 18.694 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.819 17.548 -0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.431 19.283 -0.517 1.00 0.00 H new ATOM 207 N ILE A 13 4.612 17.561 4.825 1.00 0.00 N ATOM 208 CA ILE A 13 4.018 17.535 6.162 1.00 0.00 C ATOM 209 C ILE A 13 5.095 17.304 7.230 1.00 0.00 C ATOM 210 O ILE A 13 5.082 18.004 8.238 1.00 0.00 O ATOM 211 CB ILE A 13 2.838 16.535 6.160 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.720 17.115 5.252 1.00 0.00 C ATOM 213 CG2 ILE A 13 2.297 16.280 7.580 1.00 0.00 C ATOM 214 CD1 ILE A 13 0.592 16.147 4.894 1.00 0.00 C ATOM 0 H ILE A 13 4.789 16.634 4.439 1.00 0.00 H new ATOM 0 HA ILE A 13 3.591 18.500 6.433 1.00 0.00 H new ATOM 0 HB ILE A 13 3.185 15.574 5.780 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.286 17.982 5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.175 17.472 4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.469 15.572 7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.091 15.869 8.203 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.947 17.219 8.010 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.134 16.653 4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.004 15.289 4.363 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.101 15.808 5.806 1.00 0.00 H new ATOM 226 N SER A 14 6.124 16.489 6.964 1.00 0.00 N ATOM 227 CA SER A 14 7.298 16.373 7.846 1.00 0.00 C ATOM 228 C SER A 14 8.131 17.665 7.916 1.00 0.00 C ATOM 229 O SER A 14 8.810 17.899 8.919 1.00 0.00 O ATOM 230 CB SER A 14 8.179 15.191 7.417 1.00 0.00 C ATOM 231 OG SER A 14 8.714 15.379 6.119 1.00 0.00 O ATOM 0 H SER A 14 6.169 15.894 6.137 1.00 0.00 H new ATOM 0 HA SER A 14 6.914 16.194 8.850 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.993 15.066 8.131 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.592 14.273 7.439 1.00 0.00 H new ATOM 0 HG SER A 14 8.013 15.229 5.451 1.00 0.00 H new ATOM 237 N ARG A 15 8.044 18.528 6.892 1.00 0.00 N ATOM 238 CA ARG A 15 8.743 19.818 6.826 1.00 0.00 C ATOM 239 C ARG A 15 7.924 20.954 7.452 1.00 0.00 C ATOM 240 O ARG A 15 8.519 21.858 8.038 1.00 0.00 O ATOM 241 CB ARG A 15 9.119 20.133 5.365 1.00 0.00 C ATOM 242 CG ARG A 15 10.408 19.453 4.872 1.00 0.00 C ATOM 243 CD ARG A 15 10.365 17.922 4.931 1.00 0.00 C ATOM 244 NE ARG A 15 11.493 17.312 4.207 1.00 0.00 N ATOM 245 CZ ARG A 15 12.695 17.031 4.709 1.00 0.00 C ATOM 246 NH1 ARG A 15 13.021 17.321 5.957 1.00 0.00 N1+ ATOM 247 NH2 ARG A 15 13.598 16.445 3.946 1.00 0.00 N1+ ATOM 0 H ARG A 15 7.472 18.343 6.068 1.00 0.00 H new ATOM 0 HA ARG A 15 9.656 19.739 7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.295 19.831 4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.229 21.212 5.257 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.600 19.762 3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.246 19.806 5.473 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.384 17.598 5.972 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.426 17.569 4.504 1.00 0.00 H new ATOM 0 HE ARG A 15 11.339 17.082 3.225 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.343 17.774 6.569 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.951 17.091 6.308 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.374 16.210 2.979 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.520 16.227 4.323 1.00 0.00 H new ATOM 261 N TYR A 16 6.585 20.890 7.410 1.00 0.00 N ATOM 262 CA TYR A 16 5.709 21.882 8.046 1.00 0.00 C ATOM 263 C TYR A 16 5.487 21.621 9.546 1.00 0.00 C ATOM 264 O TYR A 16 5.352 22.571 10.320 1.00 0.00 O ATOM 265 CB TYR A 16 4.374 21.969 7.303 1.00 0.00 C ATOM 266 CG TYR A 16 3.459 23.012 7.917 1.00 0.00 C ATOM 267 CD1 TYR A 16 3.724 24.381 7.721 1.00 0.00 C ATOM 268 CD2 TYR A 16 2.414 22.618 8.772 1.00 0.00 C ATOM 269 CE1 TYR A 16 2.945 25.354 8.374 1.00 0.00 C ATOM 270 CE2 TYR A 16 1.627 23.587 9.418 1.00 0.00 C ATOM 271 CZ TYR A 16 1.895 24.959 9.231 1.00 0.00 C ATOM 272 OH TYR A 16 1.156 25.892 9.893 1.00 0.00 O ATOM 0 H TYR A 16 6.078 20.145 6.932 1.00 0.00 H new ATOM 0 HA TYR A 16 6.221 22.842 7.978 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.555 22.214 6.256 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.882 20.996 7.322 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.528 24.685 7.067 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.216 21.569 8.933 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.150 26.403 8.220 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.814 23.280 10.060 1.00 0.00 H new ATOM 0 HH TYR A 16 0.476 25.444 10.438 1.00 0.00 H new ATOM 282 N LEU A 17 5.570 20.360 9.989 1.00 0.00 N ATOM 283 CA LEU A 17 5.632 20.001 11.408 1.00 0.00 C ATOM 284 C LEU A 17 6.888 20.582 12.084 1.00 0.00 C ATOM 285 O LEU A 17 6.850 20.886 13.276 1.00 0.00 O ATOM 286 CB LEU A 17 5.571 18.465 11.541 1.00 0.00 C ATOM 287 CG LEU A 17 4.158 17.875 11.745 1.00 0.00 C ATOM 288 CD1 LEU A 17 3.041 18.432 10.849 1.00 0.00 C ATOM 289 CD2 LEU A 17 4.206 16.357 11.555 1.00 0.00 C ATOM 0 H LEU A 17 5.596 19.554 9.365 1.00 0.00 H new ATOM 0 HA LEU A 17 4.777 20.436 11.925 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.006 18.022 10.645 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.197 18.165 12.381 1.00 0.00 H new ATOM 0 HG LEU A 17 3.893 18.174 12.759 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.100 17.937 11.090 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.940 19.504 11.017 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.289 18.250 9.803 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.209 15.941 11.699 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.553 16.127 10.548 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.890 15.921 12.283 1.00 0.00 H new ATOM 301 N ARG A 18 7.953 20.835 11.306 1.00 0.00 N ATOM 302 CA ARG A 18 9.185 21.512 11.731 1.00 0.00 C ATOM 303 C ARG A 18 9.164 23.026 11.472 1.00 0.00 C ATOM 304 O ARG A 18 9.969 23.731 12.076 1.00 0.00 O ATOM 305 CB ARG A 18 10.394 20.827 11.061 1.00 0.00 C ATOM 306 CG ARG A 18 10.935 19.610 11.833 1.00 0.00 C ATOM 307 CD ARG A 18 9.864 18.591 12.242 1.00 0.00 C ATOM 308 NE ARG A 18 10.460 17.337 12.736 1.00 0.00 N ATOM 309 CZ ARG A 18 10.613 16.212 12.038 1.00 0.00 C ATOM 310 NH1 ARG A 18 10.285 16.111 10.766 1.00 0.00 N1+ ATOM 311 NH2 ARG A 18 11.105 15.133 12.611 1.00 0.00 N1+ ATOM 0 H ARG A 18 7.978 20.561 10.324 1.00 0.00 H new ATOM 0 HA ARG A 18 9.269 21.414 12.813 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.108 20.510 10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.195 21.557 10.948 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.681 19.107 11.218 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.446 19.962 12.730 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.230 19.022 13.017 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.222 18.376 11.388 1.00 0.00 H new ATOM 0 HE ARG A 18 10.786 17.329 13.703 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.896 16.915 10.274 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.420 15.228 10.273 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.372 15.155 13.595 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.219 14.276 12.071 1.00 0.00 H new ATOM 325 N GLU A 19 8.212 23.560 10.700 1.00 0.00 N ATOM 326 CA GLU A 19 8.033 25.009 10.538 1.00 0.00 C ATOM 327 C GLU A 19 7.489 25.660 11.819 1.00 0.00 C ATOM 328 O GLU A 19 7.851 26.794 12.132 1.00 0.00 O ATOM 329 CB GLU A 19 7.117 25.300 9.336 1.00 0.00 C ATOM 330 CG GLU A 19 7.130 26.790 8.966 1.00 0.00 C ATOM 331 CD GLU A 19 6.212 27.103 7.777 1.00 0.00 C ATOM 332 OE1 GLU A 19 5.276 27.916 7.953 1.00 0.00 O ATOM 333 OE2 GLU A 19 6.443 26.552 6.676 1.00 0.00 O1- ATOM 0 H GLU A 19 7.543 23.001 10.170 1.00 0.00 H new ATOM 0 HA GLU A 19 9.011 25.451 10.345 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.440 24.709 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.098 24.991 9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.817 27.379 9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.149 27.093 8.725 1.00 0.00 H new ATOM 340 N GLN A 20 6.676 24.928 12.591 1.00 0.00 N ATOM 341 CA GLN A 20 6.036 25.427 13.811 1.00 0.00 C ATOM 342 C GLN A 20 6.716 24.918 15.093 1.00 0.00 C ATOM 343 O GLN A 20 6.537 25.522 16.152 1.00 0.00 O ATOM 344 CB GLN A 20 4.538 25.079 13.779 1.00 0.00 C ATOM 345 CG GLN A 20 3.837 25.494 12.469 1.00 0.00 C ATOM 346 CD GLN A 20 3.975 26.981 12.139 1.00 0.00 C ATOM 347 OE1 GLN A 20 4.013 27.840 13.016 1.00 0.00 O ATOM 348 NE2 GLN A 20 4.023 27.325 10.861 1.00 0.00 N ATOM 0 H GLN A 20 6.442 23.958 12.381 1.00 0.00 H new ATOM 0 HA GLN A 20 6.151 26.511 13.835 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.420 24.005 13.920 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.042 25.567 14.618 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.249 24.909 11.647 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.778 25.244 12.539 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.991 26.606 10.138 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.092 28.309 10.600 1.00 0.00 H new ATOM 357 N ALA A 21 7.539 23.863 14.996 1.00 0.00 N ATOM 358 CA ALA A 21 8.297 23.298 16.113 1.00 0.00 C ATOM 359 C ALA A 21 9.765 23.766 16.159 1.00 0.00 C ATOM 360 O ALA A 21 10.357 23.768 17.241 1.00 0.00 O ATOM 361 CB ALA A 21 8.202 21.773 16.030 1.00 0.00 C ATOM 0 H ALA A 21 7.697 23.371 14.117 1.00 0.00 H new ATOM 0 HA ALA A 21 7.858 23.660 17.043 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.760 21.328 16.854 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.157 21.470 16.094 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.621 21.433 15.083 1.00 0.00 H new ATOM 367 N THR A 22 10.354 24.156 15.014 1.00 0.00 N ATOM 368 CA THR A 22 11.765 24.583 14.898 1.00 0.00 C ATOM 369 C THR A 22 11.978 25.820 14.002 1.00 0.00 C ATOM 370 O THR A 22 13.116 26.271 13.852 1.00 0.00 O ATOM 371 CB THR A 22 12.682 23.426 14.433 1.00 0.00 C ATOM 372 OG1 THR A 22 12.505 23.121 13.065 1.00 0.00 O ATOM 373 CG2 THR A 22 12.505 22.131 15.231 1.00 0.00 C ATOM 0 H THR A 22 9.855 24.185 14.125 1.00 0.00 H new ATOM 0 HA THR A 22 12.047 24.878 15.909 1.00 0.00 H new ATOM 0 HB THR A 22 13.688 23.805 14.610 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.595 23.360 12.792 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.182 21.370 14.844 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.730 22.317 16.281 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.476 21.783 15.137 1.00 0.00 H new ATOM 381 N GLY A 23 10.914 26.384 13.411 1.00 0.00 N ATOM 382 CA GLY A 23 10.974 27.565 12.539 1.00 0.00 C ATOM 383 C GLY A 23 11.370 27.290 11.078 1.00 0.00 C ATOM 384 O GLY A 23 11.469 28.238 10.297 1.00 0.00 O ATOM 0 H GLY A 23 9.967 26.023 13.529 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.998 28.051 12.547 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.686 28.273 12.963 1.00 0.00 H new ATOM 388 N ALA A 24 11.613 26.029 10.695 1.00 0.00 N ATOM 389 CA ALA A 24 12.146 25.658 9.384 1.00 0.00 C ATOM 390 C ALA A 24 11.040 25.523 8.319 1.00 0.00 C ATOM 391 O ALA A 24 10.336 24.512 8.275 1.00 0.00 O ATOM 392 CB ALA A 24 12.963 24.367 9.540 1.00 0.00 C ATOM 0 H ALA A 24 11.440 25.227 11.301 1.00 0.00 H new ATOM 0 HA ALA A 24 12.796 26.455 9.022 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.369 24.074 8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 24 13.781 24.536 10.240 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.320 23.573 9.919 1.00 0.00 H new ATOM 398 N LYS A 25 10.944 26.511 7.414 1.00 0.00 N ATOM 399 CA LYS A 25 10.015 26.516 6.267 1.00 0.00 C ATOM 400 C LYS A 25 10.591 25.872 4.990 1.00 0.00 C ATOM 401 O LYS A 25 9.909 25.843 3.965 1.00 0.00 O ATOM 402 CB LYS A 25 9.436 27.933 6.059 1.00 0.00 C ATOM 403 CG LYS A 25 10.403 29.011 5.534 1.00 0.00 C ATOM 404 CD LYS A 25 10.374 29.139 4.006 1.00 0.00 C ATOM 405 CE LYS A 25 11.285 30.270 3.524 1.00 0.00 C ATOM 406 NZ LYS A 25 11.324 30.318 2.047 1.00 0.00 N1+ ATOM 0 H LYS A 25 11.523 27.349 7.459 1.00 0.00 H new ATOM 0 HA LYS A 25 9.182 25.858 6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.600 27.859 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.029 28.276 7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.146 29.972 5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.417 28.771 5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.689 28.198 3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.353 29.326 3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.927 31.223 3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.292 30.124 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.617 31.267 1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.004 29.614 1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.379 30.107 1.668 1.00 0.00 H new ATOM 420 N ASP A 26 11.808 25.312 5.071 1.00 0.00 N ATOM 421 CA ASP A 26 12.621 24.735 3.989 1.00 0.00 C ATOM 422 C ASP A 26 13.084 25.743 2.914 1.00 0.00 C ATOM 423 O ASP A 26 12.357 26.661 2.538 1.00 0.00 O ATOM 424 CB ASP A 26 11.941 23.489 3.395 1.00 0.00 C ATOM 425 CG ASP A 26 12.822 22.833 2.330 1.00 0.00 C ATOM 426 OD1 ASP A 26 12.576 23.094 1.130 1.00 0.00 O ATOM 427 OD2 ASP A 26 13.771 22.111 2.714 1.00 0.00 O1- ATOM 0 H ASP A 26 12.288 25.246 5.969 1.00 0.00 H new ATOM 0 HA ASP A 26 13.555 24.419 4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.731 22.772 4.189 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.983 23.768 2.957 1.00 0.00 H new ATOM 432 N THR A 27 14.304 25.547 2.397 1.00 0.00 N ATOM 433 CA THR A 27 14.927 26.383 1.353 1.00 0.00 C ATOM 434 C THR A 27 15.538 25.566 0.199 1.00 0.00 C ATOM 435 O THR A 27 16.085 26.150 -0.741 1.00 0.00 O ATOM 436 CB THR A 27 15.992 27.315 1.966 1.00 0.00 C ATOM 437 OG1 THR A 27 16.995 26.563 2.624 1.00 0.00 O ATOM 438 CG2 THR A 27 15.394 28.310 2.967 1.00 0.00 C ATOM 0 H THR A 27 14.905 24.781 2.700 1.00 0.00 H new ATOM 0 HA THR A 27 14.122 26.979 0.922 1.00 0.00 H new ATOM 0 HB THR A 27 16.421 27.876 1.136 1.00 0.00 H new ATOM 0 HG1 THR A 27 17.663 27.171 3.005 1.00 0.00 H new ATOM 0 HG21 THR A 27 16.186 28.942 3.369 1.00 0.00 H new ATOM 0 HG22 THR A 27 14.654 28.932 2.464 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.917 27.765 3.781 1.00 0.00 H new ATOM 446 N LYS A 28 15.446 24.229 0.252 1.00 0.00 N ATOM 447 CA LYS A 28 16.032 23.291 -0.710 1.00 0.00 C ATOM 448 C LYS A 28 14.980 22.231 -1.084 1.00 0.00 C ATOM 449 O LYS A 28 14.666 21.394 -0.232 1.00 0.00 O ATOM 450 CB LYS A 28 17.281 22.632 -0.092 1.00 0.00 C ATOM 451 CG LYS A 28 18.393 23.640 0.253 1.00 0.00 C ATOM 452 CD LYS A 28 19.717 22.961 0.632 1.00 0.00 C ATOM 453 CE LYS A 28 19.574 22.080 1.879 1.00 0.00 C ATOM 454 NZ LYS A 28 20.877 21.523 2.308 1.00 0.00 N1+ ATOM 0 H LYS A 28 14.939 23.754 0.999 1.00 0.00 H new ATOM 0 HA LYS A 28 16.335 23.820 -1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.991 22.097 0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.675 21.891 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.559 24.297 -0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.063 24.269 1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.065 22.353 -0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 28 20.477 23.722 0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.144 22.666 2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.880 21.265 1.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 20.721 20.636 2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.466 21.335 1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.360 22.206 2.926 1.00 0.00 H new ATOM 468 N PRO A 29 14.436 22.231 -2.321 1.00 0.00 N ATOM 469 CA PRO A 29 13.384 21.303 -2.738 1.00 0.00 C ATOM 470 C PRO A 29 13.722 19.834 -2.474 1.00 0.00 C ATOM 471 O PRO A 29 14.876 19.412 -2.579 1.00 0.00 O ATOM 472 CB PRO A 29 13.144 21.558 -4.220 1.00 0.00 C ATOM 473 CG PRO A 29 13.499 23.028 -4.357 1.00 0.00 C ATOM 474 CD PRO A 29 14.646 23.223 -3.365 1.00 0.00 C ATOM 0 HA PRO A 29 12.487 21.485 -2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 29 13.773 20.927 -4.848 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.110 21.361 -4.504 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.805 23.272 -5.374 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.650 23.668 -4.117 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.612 23.082 -3.850 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.640 24.232 -2.953 1.00 0.00 H new ATOM 482 N MET A 30 12.695 19.090 -2.068 1.00 0.00 N ATOM 483 CA MET A 30 12.825 17.873 -1.272 1.00 0.00 C ATOM 484 C MET A 30 13.131 16.625 -2.122 1.00 0.00 C ATOM 485 O MET A 30 13.131 16.680 -3.355 1.00 0.00 O ATOM 486 CB MET A 30 11.559 17.708 -0.413 1.00 0.00 C ATOM 487 CG MET A 30 11.269 18.861 0.570 1.00 0.00 C ATOM 488 SD MET A 30 10.658 20.420 -0.142 1.00 0.00 S ATOM 489 CE MET A 30 9.884 21.171 1.312 1.00 0.00 C ATOM 0 H MET A 30 11.727 19.323 -2.289 1.00 0.00 H new ATOM 0 HA MET A 30 13.691 17.975 -0.618 1.00 0.00 H new ATOM 0 HB2 MET A 30 10.702 17.596 -1.077 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.645 16.782 0.155 1.00 0.00 H new ATOM 0 HG2 MET A 30 10.536 18.510 1.297 1.00 0.00 H new ATOM 0 HG3 MET A 30 12.185 19.076 1.120 1.00 0.00 H new ATOM 0 HE1 MET A 30 9.586 22.193 1.079 1.00 0.00 H new ATOM 0 HE2 MET A 30 9.005 20.593 1.596 1.00 0.00 H new ATOM 0 HE3 MET A 30 10.594 21.180 2.139 1.00 0.00 H new ATOM 499 N GLY A 31 13.416 15.500 -1.448 1.00 0.00 N ATOM 500 CA GLY A 31 13.955 14.275 -2.044 1.00 0.00 C ATOM 501 C GLY A 31 13.127 13.714 -3.205 1.00 0.00 C ATOM 502 O GLY A 31 11.895 13.750 -3.179 1.00 0.00 O ATOM 0 H GLY A 31 13.272 15.419 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.966 14.473 -2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.033 13.513 -1.269 1.00 0.00 H new ATOM 506 N ARG A 32 13.832 13.194 -4.222 1.00 0.00 N ATOM 507 CA ARG A 32 13.292 12.779 -5.526 1.00 0.00 C ATOM 508 C ARG A 32 12.483 13.921 -6.164 1.00 0.00 C ATOM 509 O ARG A 32 13.037 15.002 -6.373 1.00 0.00 O ATOM 510 CB ARG A 32 12.569 11.414 -5.446 1.00 0.00 C ATOM 511 CG ARG A 32 13.420 10.323 -4.779 1.00 0.00 C ATOM 512 CD ARG A 32 12.793 8.936 -4.963 1.00 0.00 C ATOM 513 NE ARG A 32 13.404 7.961 -4.043 1.00 0.00 N ATOM 514 CZ ARG A 32 13.257 6.638 -4.075 1.00 0.00 C ATOM 515 NH1 ARG A 32 12.515 6.034 -4.984 1.00 0.00 N1+ ATOM 516 NH2 ARG A 32 13.865 5.891 -3.175 1.00 0.00 N1+ ATOM 0 H ARG A 32 14.839 13.045 -4.155 1.00 0.00 H new ATOM 0 HA ARG A 32 14.116 12.592 -6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.640 11.533 -4.889 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.299 11.092 -6.452 1.00 0.00 H new ATOM 0 HG2 ARG A 32 14.423 10.330 -5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.524 10.539 -3.716 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.719 8.990 -4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.927 8.605 -5.993 1.00 0.00 H new ATOM 0 HE ARG A 32 14.000 8.338 -3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.030 6.583 -5.694 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.426 5.018 -4.977 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.445 6.327 -2.458 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.755 4.877 -3.195 1.00 0.00 H new ATOM 530 N SER A 33 11.187 13.719 -6.425 1.00 0.00 N ATOM 531 CA SER A 33 10.263 14.796 -6.792 1.00 0.00 C ATOM 532 C SER A 33 9.924 15.621 -5.545 1.00 0.00 C ATOM 533 O SER A 33 9.499 15.066 -4.529 1.00 0.00 O ATOM 534 CB SER A 33 8.997 14.219 -7.436 1.00 0.00 C ATOM 535 OG SER A 33 9.310 13.565 -8.653 1.00 0.00 O ATOM 0 H SER A 33 10.748 12.799 -6.387 1.00 0.00 H new ATOM 0 HA SER A 33 10.737 15.449 -7.525 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.522 13.517 -6.751 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.280 15.019 -7.621 1.00 0.00 H new ATOM 0 HG SER A 33 8.491 13.201 -9.049 1.00 0.00 H new ATOM 541 N GLY A 34 10.126 16.941 -5.613 1.00 0.00 N ATOM 542 CA GLY A 34 9.989 17.835 -4.461 1.00 0.00 C ATOM 543 C GLY A 34 9.852 19.321 -4.802 1.00 0.00 C ATOM 544 O GLY A 34 9.882 20.146 -3.889 1.00 0.00 O ATOM 0 H GLY A 34 10.390 17.421 -6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.115 17.529 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.858 17.705 -3.815 1.00 0.00 H new ATOM 548 N ALA A 35 9.659 19.676 -6.080 1.00 0.00 N ATOM 549 CA ALA A 35 9.358 21.045 -6.498 1.00 0.00 C ATOM 550 C ALA A 35 7.948 21.466 -6.050 1.00 0.00 C ATOM 551 O ALA A 35 7.766 22.591 -5.583 1.00 0.00 O ATOM 552 CB ALA A 35 9.516 21.146 -8.019 1.00 0.00 C ATOM 0 H ALA A 35 9.708 19.014 -6.855 1.00 0.00 H new ATOM 0 HA ALA A 35 10.057 21.731 -6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.294 22.163 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.539 20.893 -8.296 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.827 20.454 -8.503 1.00 0.00 H new ATOM 558 N THR A 36 6.986 20.531 -6.066 1.00 0.00 N ATOM 559 CA THR A 36 5.653 20.705 -5.471 1.00 0.00 C ATOM 560 C THR A 36 5.735 20.781 -3.944 1.00 0.00 C ATOM 561 O THR A 36 4.972 21.531 -3.335 1.00 0.00 O ATOM 562 CB THR A 36 4.728 19.546 -5.880 1.00 0.00 C ATOM 563 OG1 THR A 36 4.703 19.394 -7.285 1.00 0.00 O ATOM 564 CG2 THR A 36 3.290 19.713 -5.383 1.00 0.00 C ATOM 0 H THR A 36 7.115 19.617 -6.500 1.00 0.00 H new ATOM 0 HA THR A 36 5.243 21.644 -5.844 1.00 0.00 H new ATOM 0 HB THR A 36 5.146 18.658 -5.406 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.981 19.941 -7.660 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.692 18.861 -5.707 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.285 19.767 -4.294 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.867 20.630 -5.794 1.00 0.00 H new ATOM 572 N SER A 37 6.693 20.078 -3.321 1.00 0.00 N ATOM 573 CA SER A 37 6.890 20.136 -1.872 1.00 0.00 C ATOM 574 C SER A 37 7.409 21.504 -1.415 1.00 0.00 C ATOM 575 O SER A 37 6.957 22.010 -0.388 1.00 0.00 O ATOM 576 CB SER A 37 7.817 19.017 -1.385 1.00 0.00 C ATOM 577 OG SER A 37 7.336 17.742 -1.757 1.00 0.00 O ATOM 0 H SER A 37 7.345 19.460 -3.805 1.00 0.00 H new ATOM 0 HA SER A 37 5.910 19.987 -1.419 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.815 19.165 -1.799 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.911 19.068 -0.300 1.00 0.00 H new ATOM 0 HG SER A 37 7.952 17.052 -1.432 1.00 0.00 H new ATOM 583 N ARG A 38 8.256 22.154 -2.226 1.00 0.00 N ATOM 584 CA ARG A 38 8.741 23.518 -1.993 1.00 0.00 C ATOM 585 C ARG A 38 7.617 24.551 -2.162 1.00 0.00 C ATOM 586 O ARG A 38 7.466 25.423 -1.305 1.00 0.00 O ATOM 587 CB ARG A 38 9.919 23.778 -2.948 1.00 0.00 C ATOM 588 CG ARG A 38 10.655 25.110 -2.724 1.00 0.00 C ATOM 589 CD ARG A 38 11.544 25.135 -1.468 1.00 0.00 C ATOM 590 NE ARG A 38 10.798 25.506 -0.251 1.00 0.00 N ATOM 591 CZ ARG A 38 10.324 26.720 0.030 1.00 0.00 C ATOM 592 NH1 ARG A 38 10.544 27.755 -0.763 1.00 0.00 N1+ ATOM 593 NH2 ARG A 38 9.613 26.928 1.119 1.00 0.00 N1+ ATOM 0 H ARG A 38 8.629 21.736 -3.078 1.00 0.00 H new ATOM 0 HA ARG A 38 9.085 23.621 -0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.636 22.963 -2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.549 23.752 -3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.272 25.323 -3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.919 25.911 -2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.995 24.153 -1.328 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.360 25.842 -1.619 1.00 0.00 H new ATOM 0 HE ARG A 38 10.630 24.770 0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.090 27.637 -1.617 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.168 28.672 -0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.420 26.156 1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.255 27.861 1.324 1.00 0.00 H new ATOM 607 N LYS A 39 6.774 24.398 -3.195 1.00 0.00 N ATOM 608 CA LYS A 39 5.608 25.256 -3.469 1.00 0.00 C ATOM 609 C LYS A 39 4.544 25.190 -2.364 1.00 0.00 C ATOM 610 O LYS A 39 3.921 26.206 -2.048 1.00 0.00 O ATOM 611 CB LYS A 39 4.956 24.831 -4.795 1.00 0.00 C ATOM 612 CG LYS A 39 5.742 25.220 -6.054 1.00 0.00 C ATOM 613 CD LYS A 39 5.132 24.513 -7.276 1.00 0.00 C ATOM 614 CE LYS A 39 5.829 24.869 -8.594 1.00 0.00 C ATOM 615 NZ LYS A 39 5.500 26.240 -9.040 1.00 0.00 N1+ ATOM 0 H LYS A 39 6.887 23.653 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 39 5.978 26.280 -3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.822 23.749 -4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.962 25.275 -4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.714 26.301 -6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.789 24.940 -5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.183 23.435 -7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.076 24.775 -7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.908 24.777 -8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.534 24.156 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.597 26.301 -10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.522 26.468 -8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.150 26.916 -8.591 1.00 0.00 H new ATOM 629 N ALA A 40 4.340 24.010 -1.770 1.00 0.00 N ATOM 630 CA ALA A 40 3.358 23.783 -0.714 1.00 0.00 C ATOM 631 C ALA A 40 3.833 24.302 0.651 1.00 0.00 C ATOM 632 O ALA A 40 3.016 24.812 1.419 1.00 0.00 O ATOM 633 CB ALA A 40 3.036 22.288 -0.666 1.00 0.00 C ATOM 0 H ALA A 40 4.865 23.171 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 40 2.455 24.349 -0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.303 22.099 0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.629 21.972 -1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.946 21.726 -0.455 1.00 0.00 H new ATOM 639 N LEU A 41 5.146 24.274 0.922 1.00 0.00 N ATOM 640 CA LEU A 41 5.730 24.848 2.137 1.00 0.00 C ATOM 641 C LEU A 41 5.644 26.380 2.155 1.00 0.00 C ATOM 642 O LEU A 41 5.414 26.950 3.221 1.00 0.00 O ATOM 643 CB LEU A 41 7.191 24.379 2.303 1.00 0.00 C ATOM 644 CG LEU A 41 7.417 23.300 3.379 1.00 0.00 C ATOM 645 CD1 LEU A 41 7.100 23.804 4.792 1.00 0.00 C ATOM 646 CD2 LEU A 41 6.609 22.030 3.108 1.00 0.00 C ATOM 0 H LEU A 41 5.834 23.850 0.300 1.00 0.00 H new ATOM 0 HA LEU A 41 5.144 24.487 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.543 23.994 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.808 25.244 2.544 1.00 0.00 H new ATOM 0 HG LEU A 41 8.479 23.061 3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.276 23.004 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.742 24.653 5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.056 24.114 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.803 21.301 3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.546 22.272 3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.901 21.611 2.145 1.00 0.00 H new ATOM 658 N GLU A 42 5.728 27.039 0.990 1.00 0.00 N ATOM 659 CA GLU A 42 5.478 28.479 0.868 1.00 0.00 C ATOM 660 C GLU A 42 4.023 28.819 1.218 1.00 0.00 C ATOM 661 O GLU A 42 3.788 29.776 1.952 1.00 0.00 O ATOM 662 CB GLU A 42 5.776 28.970 -0.560 1.00 0.00 C ATOM 663 CG GLU A 42 7.252 28.930 -0.967 1.00 0.00 C ATOM 664 CD GLU A 42 8.090 29.990 -0.242 1.00 0.00 C ATOM 665 OE1 GLU A 42 8.250 31.102 -0.796 1.00 0.00 O ATOM 666 OE2 GLU A 42 8.625 29.682 0.848 1.00 0.00 O1- ATOM 0 H GLU A 42 5.971 26.588 0.108 1.00 0.00 H new ATOM 0 HA GLU A 42 6.143 28.982 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.205 28.363 -1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.416 29.994 -0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.658 27.941 -0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.333 29.081 -2.043 1.00 0.00 H new ATOM 673 N THR A 43 3.059 28.014 0.745 1.00 0.00 N ATOM 674 CA THR A 43 1.616 28.249 0.921 1.00 0.00 C ATOM 675 C THR A 43 1.174 28.062 2.381 1.00 0.00 C ATOM 676 O THR A 43 0.366 28.849 2.882 1.00 0.00 O ATOM 677 CB THR A 43 0.812 27.317 -0.011 1.00 0.00 C ATOM 678 OG1 THR A 43 1.217 27.476 -1.357 1.00 0.00 O ATOM 679 CG2 THR A 43 -0.695 27.590 0.013 1.00 0.00 C ATOM 0 H THR A 43 3.264 27.164 0.219 1.00 0.00 H new ATOM 0 HA THR A 43 1.415 29.287 0.655 1.00 0.00 H new ATOM 0 HB THR A 43 1.011 26.312 0.362 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.094 27.058 -1.486 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.200 26.901 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.074 27.449 1.025 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.884 28.615 -0.305 1.00 0.00 H new ATOM 687 N LEU A 44 1.745 27.075 3.089 1.00 0.00 N ATOM 688 CA LEU A 44 1.402 26.729 4.476 1.00 0.00 C ATOM 689 C LEU A 44 1.833 27.787 5.513 1.00 0.00 C ATOM 690 O LEU A 44 1.324 27.760 6.638 1.00 0.00 O ATOM 691 CB LEU A 44 1.992 25.347 4.816 1.00 0.00 C ATOM 692 CG LEU A 44 1.251 24.154 4.179 1.00 0.00 C ATOM 693 CD1 LEU A 44 2.095 22.880 4.286 1.00 0.00 C ATOM 694 CD2 LEU A 44 -0.099 23.891 4.863 1.00 0.00 C ATOM 0 H LEU A 44 2.477 26.480 2.702 1.00 0.00 H new ATOM 0 HA LEU A 44 0.314 26.700 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.033 25.323 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.989 25.222 5.899 1.00 0.00 H new ATOM 0 HG LEU A 44 1.079 24.412 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.557 22.048 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.042 23.026 3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.287 22.658 5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.590 23.043 4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.065 23.669 5.917 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.731 24.774 4.772 1.00 0.00 H new ATOM 706 N ARG A 45 2.657 28.775 5.126 1.00 0.00 N ATOM 707 CA ARG A 45 3.024 29.932 5.962 1.00 0.00 C ATOM 708 C ARG A 45 1.832 30.836 6.314 1.00 0.00 C ATOM 709 O ARG A 45 1.935 31.612 7.267 1.00 0.00 O ATOM 710 CB ARG A 45 4.098 30.780 5.259 1.00 0.00 C ATOM 711 CG ARG A 45 5.419 30.027 5.042 1.00 0.00 C ATOM 712 CD ARG A 45 6.506 30.925 4.443 1.00 0.00 C ATOM 713 NE ARG A 45 6.142 31.426 3.105 1.00 0.00 N ATOM 714 CZ ARG A 45 6.883 32.239 2.354 1.00 0.00 C ATOM 715 NH1 ARG A 45 8.080 32.649 2.734 1.00 0.00 N1+ ATOM 716 NH2 ARG A 45 6.431 32.662 1.193 1.00 0.00 N1+ ATOM 0 H ARG A 45 3.096 28.793 4.205 1.00 0.00 H new ATOM 0 HA ARG A 45 3.407 29.517 6.894 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.715 31.113 4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.290 31.674 5.851 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.766 29.625 5.994 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.247 29.178 4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.684 31.769 5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.440 30.367 4.378 1.00 0.00 H new ATOM 0 HE ARG A 45 5.246 31.124 2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.464 32.343 3.628 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.620 33.272 2.133 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.511 32.367 0.866 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.001 33.285 0.620 1.00 0.00 H new ATOM 730 N ARG A 46 0.716 30.737 5.573 1.00 0.00 N ATOM 731 CA ARG A 46 -0.506 31.519 5.795 1.00 0.00 C ATOM 732 C ARG A 46 -1.744 30.639 5.984 1.00 0.00 C ATOM 733 O ARG A 46 -2.513 30.896 6.911 1.00 0.00 O ATOM 734 CB ARG A 46 -0.665 32.526 4.642 1.00 0.00 C ATOM 735 CG ARG A 46 -1.900 33.447 4.681 1.00 0.00 C ATOM 736 CD ARG A 46 -1.880 34.505 5.796 1.00 0.00 C ATOM 737 NE ARG A 46 -2.174 33.928 7.122 1.00 0.00 N ATOM 738 CZ ARG A 46 -1.398 33.960 8.205 1.00 0.00 C ATOM 739 NH1 ARG A 46 -0.265 34.635 8.249 1.00 0.00 N1+ ATOM 740 NH2 ARG A 46 -1.755 33.281 9.276 1.00 0.00 N1+ ATOM 0 H ARG A 46 0.639 30.095 4.784 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.410 32.066 6.733 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.225 33.154 4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.688 31.968 3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.988 33.954 3.720 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.791 32.831 4.800 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.902 34.985 5.820 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.611 35.281 5.570 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.071 33.452 7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.048 35.160 7.432 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.298 34.632 9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.618 32.738 9.271 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.168 33.299 10.110 1.00 0.00 H new ATOM 754 N VAL A 47 -1.936 29.595 5.166 1.00 0.00 N ATOM 755 CA VAL A 47 -3.153 28.766 5.246 1.00 0.00 C ATOM 756 C VAL A 47 -3.089 27.756 6.395 1.00 0.00 C ATOM 757 O VAL A 47 -4.104 27.529 7.053 1.00 0.00 O ATOM 758 CB VAL A 47 -3.520 28.100 3.904 1.00 0.00 C ATOM 759 CG1 VAL A 47 -3.536 29.132 2.772 1.00 0.00 C ATOM 760 CG2 VAL A 47 -2.607 26.937 3.503 1.00 0.00 C ATOM 0 H VAL A 47 -1.273 29.304 4.447 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.969 29.453 5.472 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.514 27.682 4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.797 28.640 1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.272 29.904 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.550 29.587 2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.937 26.528 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.582 27.295 3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.652 26.160 4.266 1.00 0.00 H new ATOM 770 N GLY A 48 -1.896 27.233 6.709 1.00 0.00 N ATOM 771 CA GLY A 48 -1.660 26.399 7.886 1.00 0.00 C ATOM 772 C GLY A 48 -1.615 27.228 9.172 1.00 0.00 C ATOM 773 O GLY A 48 -2.264 26.873 10.157 1.00 0.00 O ATOM 0 H GLY A 48 -1.060 27.381 6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.448 25.650 7.964 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.719 25.861 7.767 1.00 0.00 H new ATOM 777 N ASP A 49 -0.930 28.378 9.142 1.00 0.00 N ATOM 778 CA ASP A 49 -0.749 29.262 10.298 1.00 0.00 C ATOM 779 C ASP A 49 -2.037 29.998 10.710 1.00 0.00 C ATOM 780 O ASP A 49 -2.234 30.274 11.894 1.00 0.00 O ATOM 781 CB ASP A 49 0.366 30.263 9.970 1.00 0.00 C ATOM 782 CG ASP A 49 0.670 31.183 11.158 1.00 0.00 C ATOM 783 OD1 ASP A 49 1.158 30.669 12.191 1.00 0.00 O ATOM 784 OD2 ASP A 49 0.403 32.403 11.046 1.00 0.00 O1- ATOM 0 H ASP A 49 -0.478 28.726 8.297 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.477 28.646 11.155 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.269 29.722 9.688 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.073 30.865 9.109 1.00 0.00 H new ATOM 789 N GLY A 50 -2.944 30.257 9.759 1.00 0.00 N ATOM 790 CA GLY A 50 -4.260 30.843 10.017 1.00 0.00 C ATOM 791 C GLY A 50 -5.217 29.888 10.737 1.00 0.00 C ATOM 792 O GLY A 50 -6.144 30.342 11.406 1.00 0.00 O ATOM 0 H GLY A 50 -2.778 30.061 8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.137 31.745 10.617 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.706 31.148 9.071 1.00 0.00 H new ATOM 796 N VAL A 51 -4.951 28.577 10.676 1.00 0.00 N ATOM 797 CA VAL A 51 -5.744 27.530 11.329 1.00 0.00 C ATOM 798 C VAL A 51 -5.168 27.141 12.706 1.00 0.00 C ATOM 799 O VAL A 51 -5.921 26.678 13.565 1.00 0.00 O ATOM 800 CB VAL A 51 -5.933 26.350 10.353 1.00 0.00 C ATOM 801 CG1 VAL A 51 -6.761 25.230 10.981 1.00 0.00 C ATOM 802 CG2 VAL A 51 -6.697 26.795 9.093 1.00 0.00 C ATOM 0 H VAL A 51 -4.156 28.206 10.156 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.738 27.911 11.561 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.931 25.999 10.107 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.874 24.416 10.265 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.256 24.861 11.874 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.745 25.613 11.253 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.817 25.945 8.421 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.679 27.174 9.378 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.137 27.581 8.587 1.00 0.00 H new ATOM 812 N GLN A 52 -3.916 27.528 13.002 1.00 0.00 N ATOM 813 CA GLN A 52 -3.359 27.559 14.364 1.00 0.00 C ATOM 814 C GLN A 52 -3.939 28.699 15.233 1.00 0.00 C ATOM 815 O GLN A 52 -3.599 28.798 16.414 1.00 0.00 O ATOM 816 CB GLN A 52 -1.826 27.668 14.320 1.00 0.00 C ATOM 817 CG GLN A 52 -1.136 26.472 13.651 1.00 0.00 C ATOM 818 CD GLN A 52 0.371 26.487 13.905 1.00 0.00 C ATOM 819 OE1 GLN A 52 0.934 25.550 14.466 1.00 0.00 O ATOM 820 NE2 GLN A 52 1.056 27.553 13.514 1.00 0.00 N ATOM 0 H GLN A 52 -3.252 27.833 12.290 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.650 26.619 14.832 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.552 28.578 13.787 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.449 27.769 15.338 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.562 25.544 14.032 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.326 26.493 12.578 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.577 28.325 13.049 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.062 27.601 13.678 1.00 0.00 H new ATOM 829 N ARG A 53 -4.815 29.553 14.679 1.00 0.00 N ATOM 830 CA ARG A 53 -5.539 30.608 15.406 1.00 0.00 C ATOM 831 C ARG A 53 -7.063 30.588 15.190 1.00 0.00 C ATOM 832 O ARG A 53 -7.760 31.408 15.791 1.00 0.00 O ATOM 833 CB ARG A 53 -4.910 31.984 15.112 1.00 0.00 C ATOM 834 CG ARG A 53 -4.939 32.372 13.627 1.00 0.00 C ATOM 835 CD ARG A 53 -4.482 33.823 13.433 1.00 0.00 C ATOM 836 NE ARG A 53 -4.288 34.170 12.012 1.00 0.00 N ATOM 837 CZ ARG A 53 -5.233 34.339 11.085 1.00 0.00 C ATOM 838 NH1 ARG A 53 -6.515 34.147 11.337 1.00 0.00 N1+ ATOM 839 NH2 ARG A 53 -4.887 34.709 9.866 1.00 0.00 N1+ ATOM 0 H ARG A 53 -5.045 29.528 13.686 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.423 30.398 16.469 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.437 32.745 15.687 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.876 31.982 15.458 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.292 31.703 13.059 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.948 32.248 13.234 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.221 34.495 13.870 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.549 33.982 13.973 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.324 34.295 11.704 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.814 33.859 12.269 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.206 34.287 10.600 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.905 34.863 9.639 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.602 34.841 9.151 1.00 0.00 H new ATOM 853 N ASN A 54 -7.587 29.637 14.403 1.00 0.00 N ATOM 854 CA ASN A 54 -9.026 29.457 14.164 1.00 0.00 C ATOM 855 C ASN A 54 -9.565 28.136 14.742 1.00 0.00 C ATOM 856 O ASN A 54 -10.721 28.103 15.170 1.00 0.00 O ATOM 857 CB ASN A 54 -9.320 29.554 12.655 1.00 0.00 C ATOM 858 CG ASN A 54 -9.106 30.940 12.046 1.00 0.00 C ATOM 859 OD1 ASN A 54 -8.817 31.926 12.721 1.00 0.00 O ATOM 860 ND2 ASN A 54 -9.273 31.047 10.737 1.00 0.00 N ATOM 0 H ASN A 54 -7.011 28.958 13.905 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.547 30.257 14.689 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -8.686 28.840 12.129 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.353 29.252 12.481 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -9.162 31.953 10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.513 30.224 10.184 1.00 0.00 H new ATOM 867 N HIS A 55 -8.748 27.069 14.784 1.00 0.00 N ATOM 868 CA HIS A 55 -9.134 25.731 15.263 1.00 0.00 C ATOM 869 C HIS A 55 -8.223 25.188 16.380 1.00 0.00 C ATOM 870 O HIS A 55 -8.401 24.045 16.803 1.00 0.00 O ATOM 871 CB HIS A 55 -9.228 24.756 14.071 1.00 0.00 C ATOM 872 CG HIS A 55 -10.274 25.104 13.034 1.00 0.00 C ATOM 873 ND1 HIS A 55 -10.192 24.844 11.677 1.00 0.00 N1+ ATOM 874 CD2 HIS A 55 -11.510 25.644 13.268 1.00 0.00 C ATOM 875 CE1 HIS A 55 -11.349 25.221 11.102 1.00 0.00 C ATOM 876 NE2 HIS A 55 -12.164 25.715 12.053 1.00 0.00 N ATOM 0 H HIS A 55 -7.776 27.115 14.478 1.00 0.00 H new ATOM 0 HA HIS A 55 -10.117 25.825 15.725 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.255 24.711 13.581 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -9.438 23.758 14.455 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.901 25.957 14.225 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.585 25.141 10.051 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -13.105 26.080 11.902 1.00 0.00 H new ATOM 885 N GLU A 56 -7.303 25.995 16.925 1.00 0.00 N ATOM 886 CA GLU A 56 -6.370 25.562 17.978 1.00 0.00 C ATOM 887 C GLU A 56 -7.012 25.436 19.375 1.00 0.00 C ATOM 888 O GLU A 56 -6.453 24.769 20.248 1.00 0.00 O ATOM 889 CB GLU A 56 -5.123 26.456 17.950 1.00 0.00 C ATOM 890 CG GLU A 56 -3.981 25.953 18.847 1.00 0.00 C ATOM 891 CD GLU A 56 -2.651 26.623 18.485 1.00 0.00 C ATOM 892 OE1 GLU A 56 -2.024 26.187 17.490 1.00 0.00 O ATOM 893 OE2 GLU A 56 -2.248 27.572 19.200 1.00 0.00 O1- ATOM 0 H GLU A 56 -7.183 26.969 16.648 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.065 24.539 17.757 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.762 26.529 16.924 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.402 27.463 18.262 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.220 26.155 19.891 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.885 24.872 18.745 1.00 0.00 H new ATOM 900 N THR A 57 -8.243 25.933 19.555 1.00 0.00 N ATOM 901 CA THR A 57 -9.067 25.639 20.739 1.00 0.00 C ATOM 902 C THR A 57 -9.475 24.155 20.769 1.00 0.00 C ATOM 903 O THR A 57 -9.476 23.542 21.839 1.00 0.00 O ATOM 904 CB THR A 57 -10.300 26.561 20.765 1.00 0.00 C ATOM 905 OG1 THR A 57 -9.891 27.916 20.820 1.00 0.00 O ATOM 906 CG2 THR A 57 -11.208 26.324 21.976 1.00 0.00 C ATOM 0 H THR A 57 -8.698 26.552 18.883 1.00 0.00 H new ATOM 0 HA THR A 57 -8.477 25.832 21.635 1.00 0.00 H new ATOM 0 HB THR A 57 -10.856 26.334 19.856 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.681 28.496 20.834 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.057 27.006 21.933 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.568 25.295 21.965 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.646 26.502 22.893 1.00 0.00 H new ATOM 914 N ALA A 58 -9.714 23.546 19.597 1.00 0.00 N ATOM 915 CA ALA A 58 -9.972 22.113 19.453 1.00 0.00 C ATOM 916 C ALA A 58 -8.682 21.272 19.487 1.00 0.00 C ATOM 917 O ALA A 58 -8.733 20.116 19.914 1.00 0.00 O ATOM 918 CB ALA A 58 -10.766 21.875 18.161 1.00 0.00 C ATOM 0 H ALA A 58 -9.733 24.049 18.710 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.561 21.783 20.309 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.963 20.809 18.046 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.711 22.415 18.210 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.188 22.232 17.308 1.00 0.00 H new ATOM 924 N PHE A 59 -7.523 21.844 19.119 1.00 0.00 N ATOM 925 CA PHE A 59 -6.231 21.150 19.181 1.00 0.00 C ATOM 926 C PHE A 59 -5.783 20.944 20.634 1.00 0.00 C ATOM 927 O PHE A 59 -5.318 19.856 20.973 1.00 0.00 O ATOM 928 CB PHE A 59 -5.137 21.918 18.420 1.00 0.00 C ATOM 929 CG PHE A 59 -5.327 22.203 16.935 1.00 0.00 C ATOM 930 CD1 PHE A 59 -4.405 23.056 16.293 1.00 0.00 C ATOM 931 CD2 PHE A 59 -6.385 21.646 16.187 1.00 0.00 C ATOM 932 CE1 PHE A 59 -4.555 23.376 14.933 1.00 0.00 C ATOM 933 CE2 PHE A 59 -6.536 21.969 14.828 1.00 0.00 C ATOM 934 CZ PHE A 59 -5.620 22.830 14.201 1.00 0.00 C ATOM 0 H PHE A 59 -7.458 22.800 18.771 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.374 20.179 18.706 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.997 22.875 18.923 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.207 21.361 18.531 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.577 23.467 16.851 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.081 20.969 16.660 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.852 24.041 14.452 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.358 21.554 14.264 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.736 23.072 13.155 1.00 0.00 H new ATOM 944 N GLN A 60 -6.008 21.937 21.508 1.00 0.00 N ATOM 945 CA GLN A 60 -5.761 21.837 22.951 1.00 0.00 C ATOM 946 C GLN A 60 -6.726 20.862 23.640 1.00 0.00 C ATOM 947 O GLN A 60 -6.327 20.183 24.588 1.00 0.00 O ATOM 948 CB GLN A 60 -5.875 23.229 23.598 1.00 0.00 C ATOM 949 CG GLN A 60 -4.726 24.193 23.255 1.00 0.00 C ATOM 950 CD GLN A 60 -3.428 23.914 24.022 1.00 0.00 C ATOM 951 OE1 GLN A 60 -3.043 22.776 24.275 1.00 0.00 O ATOM 952 NE2 GLN A 60 -2.715 24.958 24.417 1.00 0.00 N ATOM 0 H GLN A 60 -6.373 22.847 21.225 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.752 21.446 23.083 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.816 23.683 23.288 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.920 23.109 24.680 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.524 24.135 22.186 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.047 25.214 23.464 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.035 25.903 24.207 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.846 24.817 24.932 1.00 0.00 H new ATOM 961 N GLY A 61 -7.944 20.693 23.105 1.00 0.00 N ATOM 962 CA GLY A 61 -8.899 19.664 23.529 1.00 0.00 C ATOM 963 C GLY A 61 -8.476 18.226 23.184 1.00 0.00 C ATOM 964 O GLY A 61 -9.142 17.282 23.611 1.00 0.00 O ATOM 0 H GLY A 61 -8.298 21.281 22.350 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.041 19.739 24.607 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.864 19.867 23.065 1.00 0.00 H new ATOM 968 N MET A 62 -7.376 18.054 22.438 1.00 0.00 N ATOM 969 CA MET A 62 -6.813 16.769 22.004 1.00 0.00 C ATOM 970 C MET A 62 -5.283 16.705 22.222 1.00 0.00 C ATOM 971 O MET A 62 -4.609 15.867 21.620 1.00 0.00 O ATOM 972 CB MET A 62 -7.174 16.517 20.529 1.00 0.00 C ATOM 973 CG MET A 62 -8.681 16.624 20.232 1.00 0.00 C ATOM 974 SD MET A 62 -9.200 16.330 18.515 1.00 0.00 S ATOM 975 CE MET A 62 -7.887 17.203 17.622 1.00 0.00 C ATOM 0 H MET A 62 -6.828 18.847 22.105 1.00 0.00 H new ATOM 0 HA MET A 62 -7.250 15.981 22.618 1.00 0.00 H new ATOM 0 HB2 MET A 62 -6.638 17.233 19.906 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.826 15.524 20.244 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.205 15.914 20.872 1.00 0.00 H new ATOM 0 HG3 MET A 62 -9.015 17.620 20.522 1.00 0.00 H new ATOM 0 HE1 MET A 62 -8.149 17.272 16.566 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.772 18.206 18.034 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.950 16.657 17.728 1.00 0.00 H new ATOM 985 N LEU A 63 -4.724 17.602 23.050 1.00 0.00 N ATOM 986 CA LEU A 63 -3.286 17.695 23.342 1.00 0.00 C ATOM 987 C LEU A 63 -2.995 18.004 24.821 1.00 0.00 C ATOM 988 O LEU A 63 -1.946 17.601 25.321 1.00 0.00 O ATOM 989 CB LEU A 63 -2.659 18.738 22.399 1.00 0.00 C ATOM 990 CG LEU A 63 -1.120 18.833 22.438 1.00 0.00 C ATOM 991 CD1 LEU A 63 -0.442 17.475 22.216 1.00 0.00 C ATOM 992 CD2 LEU A 63 -0.663 19.820 21.361 1.00 0.00 C ATOM 0 H LEU A 63 -5.275 18.301 23.548 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.830 16.721 23.163 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.965 18.509 21.378 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.072 19.717 22.643 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.828 19.176 23.430 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.640 17.598 22.253 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.755 16.780 22.995 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.729 17.080 21.241 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.424 19.898 21.376 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.988 19.467 20.382 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.100 20.799 21.556 1.00 0.00 H new ATOM 1004 N ARG A 64 -3.956 18.578 25.558 1.00 0.00 N ATOM 1005 CA ARG A 64 -4.005 18.510 27.027 1.00 0.00 C ATOM 1006 C ARG A 64 -4.649 17.196 27.498 1.00 0.00 C ATOM 1007 O ARG A 64 -4.326 16.707 28.582 1.00 0.00 O ATOM 1008 CB ARG A 64 -4.772 19.720 27.588 1.00 0.00 C ATOM 1009 CG ARG A 64 -4.119 21.059 27.214 1.00 0.00 C ATOM 1010 CD ARG A 64 -4.874 22.226 27.861 1.00 0.00 C ATOM 1011 NE ARG A 64 -4.278 23.529 27.514 1.00 0.00 N ATOM 1012 CZ ARG A 64 -3.223 24.103 28.094 1.00 0.00 C ATOM 1013 NH1 ARG A 64 -2.550 23.517 29.069 1.00 0.00 N1+ ATOM 1014 NH2 ARG A 64 -2.826 25.296 27.696 1.00 0.00 N1+ ATOM 0 H ARG A 64 -4.727 19.106 25.150 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.983 18.536 27.405 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.795 19.702 27.213 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.828 19.638 28.673 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.079 21.066 27.540 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.114 21.178 26.130 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.915 22.207 27.540 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.872 22.103 28.944 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.718 24.045 26.752 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.833 22.595 29.401 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.748 23.987 29.489 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.325 25.776 26.947 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.020 25.739 28.137 1.00 0.00 H new ATOM 1028 N LYS A 65 -5.515 16.604 26.660 1.00 0.00 N ATOM 1029 CA LYS A 65 -6.213 15.338 26.900 1.00 0.00 C ATOM 1030 C LYS A 65 -5.306 14.129 26.636 1.00 0.00 C ATOM 1031 O LYS A 65 -5.229 13.230 27.476 1.00 0.00 O ATOM 1032 CB LYS A 65 -7.474 15.320 26.017 1.00 0.00 C ATOM 1033 CG LYS A 65 -8.366 14.091 26.258 1.00 0.00 C ATOM 1034 CD LYS A 65 -9.582 14.069 25.321 1.00 0.00 C ATOM 1035 CE LYS A 65 -10.573 15.196 25.638 1.00 0.00 C ATOM 1036 NZ LYS A 65 -11.687 15.226 24.666 1.00 0.00 N1+ ATOM 0 H LYS A 65 -5.756 17.015 25.758 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.500 15.264 27.949 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.054 16.224 26.205 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.176 15.344 24.969 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.780 13.184 26.112 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.706 14.088 27.293 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.246 14.162 24.288 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.088 13.107 25.406 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.970 15.061 26.644 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.053 16.154 25.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.339 15.999 24.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.309 15.379 23.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.198 14.321 24.695 1.00 0.00 H new ATOM 1050 N LEU A 66 -4.600 14.126 25.499 1.00 0.00 N ATOM 1051 CA LEU A 66 -3.686 13.049 25.100 1.00 0.00 C ATOM 1052 C LEU A 66 -2.289 13.226 25.717 1.00 0.00 C ATOM 1053 O LEU A 66 -1.612 12.229 25.974 1.00 0.00 O ATOM 1054 CB LEU A 66 -3.579 12.996 23.563 1.00 0.00 C ATOM 1055 CG LEU A 66 -4.721 12.273 22.819 1.00 0.00 C ATOM 1056 CD1 LEU A 66 -6.114 12.866 23.057 1.00 0.00 C ATOM 1057 CD2 LEU A 66 -4.419 12.305 21.317 1.00 0.00 C ATOM 0 H LEU A 66 -4.649 14.885 24.819 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.096 12.110 25.473 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.522 14.018 23.189 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.640 12.508 23.303 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.754 11.258 23.216 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.853 12.295 22.495 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.352 12.821 24.120 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.129 13.904 22.725 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.217 11.798 20.775 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.353 13.340 20.981 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.472 11.800 21.125 1.00 0.00 H new ATOM 1069 N ASP A 67 -1.867 14.478 25.953 1.00 0.00 N ATOM 1070 CA ASP A 67 -0.541 14.868 26.446 1.00 0.00 C ATOM 1071 C ASP A 67 0.598 14.152 25.698 1.00 0.00 C ATOM 1072 O ASP A 67 1.344 13.359 26.277 1.00 0.00 O ATOM 1073 CB ASP A 67 -0.485 14.760 27.979 1.00 0.00 C ATOM 1074 CG ASP A 67 0.769 15.430 28.557 1.00 0.00 C ATOM 1075 OD1 ASP A 67 1.104 16.552 28.110 1.00 0.00 O ATOM 1076 OD2 ASP A 67 1.397 14.838 29.465 1.00 0.00 O1- ATOM 0 H ASP A 67 -2.473 15.284 25.797 1.00 0.00 H new ATOM 0 HA ASP A 67 -0.374 15.920 26.216 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.374 15.223 28.408 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.501 13.709 28.269 1.00 0.00 H new ATOM 1081 N ILE A 68 0.650 14.371 24.377 1.00 0.00 N ATOM 1082 CA ILE A 68 1.493 13.638 23.427 1.00 0.00 C ATOM 1083 C ILE A 68 2.973 13.942 23.704 1.00 0.00 C ATOM 1084 O ILE A 68 3.461 15.037 23.408 1.00 0.00 O ATOM 1085 CB ILE A 68 1.068 13.969 21.972 1.00 0.00 C ATOM 1086 CG1 ILE A 68 -0.421 13.605 21.742 1.00 0.00 C ATOM 1087 CG2 ILE A 68 1.965 13.233 20.960 1.00 0.00 C ATOM 1088 CD1 ILE A 68 -0.961 13.902 20.338 1.00 0.00 C ATOM 0 H ILE A 68 0.085 15.090 23.926 1.00 0.00 H new ATOM 0 HA ILE A 68 1.358 12.564 23.556 1.00 0.00 H new ATOM 0 HB ILE A 68 1.189 15.041 21.819 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.554 12.543 21.947 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.026 14.148 22.468 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.649 13.480 19.947 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.001 13.540 21.102 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.881 12.157 21.114 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.010 13.611 20.283 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.869 14.968 20.131 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.389 13.338 19.601 1.00 0.00 H new ATOM 1100 N LYS A 69 3.672 12.964 24.296 1.00 0.00 N ATOM 1101 CA LYS A 69 5.054 13.074 24.788 1.00 0.00 C ATOM 1102 C LYS A 69 5.912 11.842 24.441 1.00 0.00 C ATOM 1103 O LYS A 69 6.997 11.661 25.000 1.00 0.00 O ATOM 1104 CB LYS A 69 5.032 13.367 26.302 1.00 0.00 C ATOM 1105 CG LYS A 69 4.580 14.805 26.610 1.00 0.00 C ATOM 1106 CD LYS A 69 4.691 15.097 28.110 1.00 0.00 C ATOM 1107 CE LYS A 69 4.357 16.565 28.381 1.00 0.00 C ATOM 1108 NZ LYS A 69 4.195 16.823 29.828 1.00 0.00 N1+ ATOM 0 H LYS A 69 3.275 12.037 24.452 1.00 0.00 H new ATOM 0 HA LYS A 69 5.536 13.906 24.275 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.362 12.664 26.797 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.027 13.204 26.716 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.192 15.512 26.050 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.550 14.946 26.282 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.011 14.452 28.666 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.699 14.874 28.459 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.149 17.199 27.983 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.440 16.834 27.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.969 17.827 29.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.423 16.235 30.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.079 16.589 30.323 1.00 0.00 H new ATOM 1122 N ASN A 70 5.432 10.991 23.527 1.00 0.00 N ATOM 1123 CA ASN A 70 6.108 9.790 23.032 1.00 0.00 C ATOM 1124 C ASN A 70 5.764 9.560 21.553 1.00 0.00 C ATOM 1125 O ASN A 70 4.768 10.083 21.047 1.00 0.00 O ATOM 1126 CB ASN A 70 5.680 8.559 23.859 1.00 0.00 C ATOM 1127 CG ASN A 70 6.005 8.672 25.343 1.00 0.00 C ATOM 1128 OD1 ASN A 70 7.124 8.403 25.771 1.00 0.00 O ATOM 1129 ND2 ASN A 70 5.038 9.074 26.152 1.00 0.00 N ATOM 0 H ASN A 70 4.519 11.129 23.093 1.00 0.00 H new ATOM 0 HA ASN A 70 7.184 9.932 23.132 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.607 8.410 23.742 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.171 7.673 23.456 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.215 9.166 27.152 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.116 9.292 25.775 1.00 0.00 H new ATOM 1136 N GLU A 71 6.512 8.669 20.893 1.00 0.00 N ATOM 1137 CA GLU A 71 6.137 8.119 19.586 1.00 0.00 C ATOM 1138 C GLU A 71 4.984 7.101 19.689 1.00 0.00 C ATOM 1139 O GLU A 71 4.280 6.878 18.706 1.00 0.00 O ATOM 1140 CB GLU A 71 7.368 7.526 18.881 1.00 0.00 C ATOM 1141 CG GLU A 71 8.037 6.364 19.626 1.00 0.00 C ATOM 1142 CD GLU A 71 9.235 5.836 18.828 1.00 0.00 C ATOM 1143 OE1 GLU A 71 9.085 4.778 18.172 1.00 0.00 O ATOM 1144 OE2 GLU A 71 10.306 6.488 18.855 1.00 0.00 O1- ATOM 0 H GLU A 71 7.396 8.308 21.251 1.00 0.00 H new ATOM 0 HA GLU A 71 5.760 8.939 18.975 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.071 7.181 17.890 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.103 8.318 18.736 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.366 6.696 20.611 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.316 5.562 19.785 1.00 0.00 H new ATOM 1151 N ASP A 72 4.727 6.544 20.881 1.00 0.00 N ATOM 1152 CA ASP A 72 3.586 5.664 21.154 1.00 0.00 C ATOM 1153 C ASP A 72 2.257 6.437 21.268 1.00 0.00 C ATOM 1154 O ASP A 72 1.207 5.906 20.903 1.00 0.00 O ATOM 1155 CB ASP A 72 3.876 4.873 22.435 1.00 0.00 C ATOM 1156 CG ASP A 72 2.766 3.861 22.744 1.00 0.00 C ATOM 1157 OD1 ASP A 72 2.580 2.923 21.934 1.00 0.00 O ATOM 1158 OD2 ASP A 72 2.102 4.013 23.795 1.00 0.00 O1- ATOM 0 H ASP A 72 5.319 6.697 21.697 1.00 0.00 H new ATOM 0 HA ASP A 72 3.464 4.983 20.312 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.826 4.349 22.331 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.982 5.563 23.272 1.00 0.00 H new ATOM 1163 N ASP A 73 2.310 7.718 21.661 1.00 0.00 N ATOM 1164 CA ASP A 73 1.167 8.642 21.668 1.00 0.00 C ATOM 1165 C ASP A 73 0.820 9.174 20.257 1.00 0.00 C ATOM 1166 O ASP A 73 -0.076 10.009 20.114 1.00 0.00 O ATOM 1167 CB ASP A 73 1.449 9.806 22.637 1.00 0.00 C ATOM 1168 CG ASP A 73 1.659 9.383 24.096 1.00 0.00 C ATOM 1169 OD1 ASP A 73 2.565 9.960 24.742 1.00 0.00 O ATOM 1170 OD2 ASP A 73 0.904 8.511 24.587 1.00 0.00 O1- ATOM 0 H ASP A 73 3.172 8.151 21.992 1.00 0.00 H new ATOM 0 HA ASP A 73 0.295 8.084 22.009 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.336 10.339 22.295 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.617 10.509 22.592 1.00 0.00 H new ATOM 1175 N VAL A 74 1.533 8.706 19.222 1.00 0.00 N ATOM 1176 CA VAL A 74 1.454 9.167 17.829 1.00 0.00 C ATOM 1177 C VAL A 74 1.163 8.005 16.870 1.00 0.00 C ATOM 1178 O VAL A 74 0.328 8.142 15.974 1.00 0.00 O ATOM 1179 CB VAL A 74 2.776 9.879 17.469 1.00 0.00 C ATOM 1180 CG1 VAL A 74 2.882 10.179 15.974 1.00 0.00 C ATOM 1181 CG2 VAL A 74 2.917 11.199 18.239 1.00 0.00 C ATOM 0 H VAL A 74 2.215 7.957 19.341 1.00 0.00 H new ATOM 0 HA VAL A 74 0.626 9.868 17.726 1.00 0.00 H new ATOM 0 HB VAL A 74 3.576 9.194 17.749 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.828 10.680 15.770 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.836 9.246 15.412 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.057 10.825 15.673 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.856 11.680 17.967 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.086 11.858 17.987 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.909 10.998 19.310 1.00 0.00 H new ATOM 1191 N LYS A 75 1.792 6.842 17.085 1.00 0.00 N ATOM 1192 CA LYS A 75 1.578 5.626 16.288 1.00 0.00 C ATOM 1193 C LYS A 75 0.221 4.969 16.576 1.00 0.00 C ATOM 1194 O LYS A 75 -0.340 4.327 15.686 1.00 0.00 O ATOM 1195 CB LYS A 75 2.748 4.656 16.527 1.00 0.00 C ATOM 1196 CG LYS A 75 4.031 5.165 15.848 1.00 0.00 C ATOM 1197 CD LYS A 75 5.244 4.299 16.205 1.00 0.00 C ATOM 1198 CE LYS A 75 6.469 4.803 15.437 1.00 0.00 C ATOM 1199 NZ LYS A 75 7.674 3.999 15.734 1.00 0.00 N1+ ATOM 0 H LYS A 75 2.476 6.717 17.831 1.00 0.00 H new ATOM 0 HA LYS A 75 1.552 5.901 15.234 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.919 4.543 17.598 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.493 3.670 16.139 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.893 5.170 14.767 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.218 6.195 16.150 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.431 4.340 17.278 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.047 3.256 15.955 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.265 4.770 14.367 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.655 5.846 15.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.355 4.092 14.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.110 4.339 16.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.407 3.000 15.843 1.00 0.00 H new ATOM 1213 N SER A 76 -0.366 5.236 17.751 1.00 0.00 N ATOM 1214 CA SER A 76 -1.743 4.857 18.095 1.00 0.00 C ATOM 1215 C SER A 76 -2.797 5.689 17.344 1.00 0.00 C ATOM 1216 O SER A 76 -3.924 5.225 17.159 1.00 0.00 O ATOM 1217 CB SER A 76 -1.964 5.008 19.607 1.00 0.00 C ATOM 1218 OG SER A 76 -1.088 4.172 20.343 1.00 0.00 O ATOM 0 H SER A 76 0.113 5.731 18.503 1.00 0.00 H new ATOM 0 HA SER A 76 -1.869 3.818 17.791 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.808 6.047 19.897 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.997 4.761 19.852 1.00 0.00 H new ATOM 0 HG SER A 76 -0.278 4.672 20.577 1.00 0.00 H new ATOM 1224 N LEU A 77 -2.435 6.893 16.875 1.00 0.00 N ATOM 1225 CA LEU A 77 -3.324 7.806 16.149 1.00 0.00 C ATOM 1226 C LEU A 77 -3.391 7.515 14.639 1.00 0.00 C ATOM 1227 O LEU A 77 -4.214 8.111 13.945 1.00 0.00 O ATOM 1228 CB LEU A 77 -2.911 9.267 16.409 1.00 0.00 C ATOM 1229 CG LEU A 77 -2.814 9.681 17.890 1.00 0.00 C ATOM 1230 CD1 LEU A 77 -2.429 11.162 17.975 1.00 0.00 C ATOM 1231 CD2 LEU A 77 -4.126 9.459 18.651 1.00 0.00 C ATOM 0 H LEU A 77 -1.493 7.265 16.994 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.330 7.640 16.533 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.943 9.441 15.938 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.629 9.922 15.914 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.055 9.052 18.355 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.359 11.460 19.021 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.466 11.316 17.488 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.188 11.764 17.476 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.001 9.767 19.689 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.918 10.049 18.190 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.393 8.403 18.616 1.00 0.00 H new ATOM 1243 N SER A 78 -2.578 6.582 14.124 1.00 0.00 N ATOM 1244 CA SER A 78 -2.575 6.203 12.703 1.00 0.00 C ATOM 1245 C SER A 78 -3.829 5.409 12.294 1.00 0.00 C ATOM 1246 O SER A 78 -4.198 5.410 11.118 1.00 0.00 O ATOM 1247 CB SER A 78 -1.302 5.414 12.371 1.00 0.00 C ATOM 1248 OG SER A 78 -0.143 6.176 12.669 1.00 0.00 O ATOM 0 H SER A 78 -1.900 6.066 14.684 1.00 0.00 H new ATOM 0 HA SER A 78 -2.591 7.126 12.124 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.287 4.484 12.939 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.302 5.142 11.315 1.00 0.00 H new ATOM 0 HG SER A 78 0.657 5.653 12.451 1.00 0.00 H new ATOM 1254 N ARG A 79 -4.542 4.809 13.261 1.00 0.00 N ATOM 1255 CA ARG A 79 -5.870 4.210 13.063 1.00 0.00 C ATOM 1256 C ARG A 79 -6.964 5.281 12.967 1.00 0.00 C ATOM 1257 O ARG A 79 -7.901 5.128 12.183 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.124 3.206 14.206 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.462 2.447 14.118 1.00 0.00 C ATOM 1260 CD ARG A 79 -8.613 3.158 14.845 1.00 0.00 C ATOM 1261 NE ARG A 79 -9.876 2.410 14.715 1.00 0.00 N ATOM 1262 CZ ARG A 79 -11.091 2.869 15.016 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -11.282 4.092 15.478 1.00 0.00 N1+ ATOM 1264 NH2 ARG A 79 -12.145 2.094 14.846 1.00 0.00 N1+ ATOM 0 H ARG A 79 -4.204 4.726 14.220 1.00 0.00 H new ATOM 0 HA ARG A 79 -5.900 3.678 12.112 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.311 2.480 14.219 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.089 3.741 15.155 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.729 2.317 13.069 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.335 1.450 14.541 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.363 3.272 15.900 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.739 4.161 14.437 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.815 1.455 14.363 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -10.487 4.716 15.614 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.225 4.412 15.699 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.029 1.147 14.485 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.076 2.442 15.075 1.00 0.00 H new ATOM 1278 N VAL A 80 -6.844 6.362 13.748 1.00 0.00 N ATOM 1279 CA VAL A 80 -7.872 7.401 13.897 1.00 0.00 C ATOM 1280 C VAL A 80 -8.089 8.169 12.589 1.00 0.00 C ATOM 1281 O VAL A 80 -9.238 8.420 12.222 1.00 0.00 O ATOM 1282 CB VAL A 80 -7.502 8.364 15.052 1.00 0.00 C ATOM 1283 CG1 VAL A 80 -8.550 9.469 15.250 1.00 0.00 C ATOM 1284 CG2 VAL A 80 -7.356 7.609 16.384 1.00 0.00 C ATOM 0 H VAL A 80 -6.010 6.543 14.307 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.813 6.910 14.144 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.552 8.816 14.766 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.244 10.117 16.071 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.636 10.057 14.336 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.514 9.018 15.484 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.096 8.313 17.175 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.298 7.119 16.630 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.570 6.859 16.293 1.00 0.00 H new ATOM 1294 N MET A 81 -7.015 8.486 11.853 1.00 0.00 N ATOM 1295 CA MET A 81 -7.086 9.379 10.690 1.00 0.00 C ATOM 1296 C MET A 81 -7.693 8.725 9.437 1.00 0.00 C ATOM 1297 O MET A 81 -8.114 9.446 8.533 1.00 0.00 O ATOM 1298 CB MET A 81 -5.717 10.020 10.396 1.00 0.00 C ATOM 1299 CG MET A 81 -5.070 10.668 11.626 1.00 0.00 C ATOM 1300 SD MET A 81 -6.136 11.773 12.594 1.00 0.00 S ATOM 1301 CE MET A 81 -5.038 12.061 14.004 1.00 0.00 C ATOM 0 H MET A 81 -6.078 8.133 12.046 1.00 0.00 H new ATOM 0 HA MET A 81 -7.783 10.171 10.964 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.045 9.258 10.000 1.00 0.00 H new ATOM 0 HB3 MET A 81 -5.837 10.774 9.618 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.709 9.876 12.282 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.197 11.232 11.298 1.00 0.00 H new ATOM 0 HE1 MET A 81 -5.301 13.004 14.483 1.00 0.00 H new ATOM 0 HE2 MET A 81 -5.146 11.247 14.721 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.005 12.105 13.658 1.00 0.00 H new ATOM 1311 N ILE A 82 -7.867 7.395 9.426 1.00 0.00 N ATOM 1312 CA ILE A 82 -8.609 6.660 8.388 1.00 0.00 C ATOM 1313 C ILE A 82 -10.051 7.194 8.299 1.00 0.00 C ATOM 1314 O ILE A 82 -10.579 7.399 7.203 1.00 0.00 O ATOM 1315 CB ILE A 82 -8.610 5.140 8.711 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -7.172 4.569 8.789 1.00 0.00 C ATOM 1317 CG2 ILE A 82 -9.430 4.359 7.663 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -7.082 3.137 9.332 1.00 0.00 C ATOM 0 H ILE A 82 -7.489 6.787 10.152 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.121 6.809 7.425 1.00 0.00 H new ATOM 0 HB ILE A 82 -9.075 5.019 9.690 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.731 4.594 7.793 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.570 5.222 9.421 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -9.417 3.297 7.909 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.459 4.719 7.664 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.994 4.508 6.675 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.039 2.820 9.351 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.490 3.105 10.342 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.653 2.467 8.689 1.00 0.00 H new ATOM 1330 N HIS A 83 -10.655 7.479 9.459 1.00 0.00 N ATOM 1331 CA HIS A 83 -12.043 7.919 9.608 1.00 0.00 C ATOM 1332 C HIS A 83 -12.205 9.443 9.480 1.00 0.00 C ATOM 1333 O HIS A 83 -13.309 9.918 9.206 1.00 0.00 O ATOM 1334 CB HIS A 83 -12.568 7.410 10.960 1.00 0.00 C ATOM 1335 CG HIS A 83 -12.289 5.941 11.188 1.00 0.00 C ATOM 1336 ND1 HIS A 83 -12.908 4.883 10.516 1.00 0.00 N ATOM 1337 CD2 HIS A 83 -11.308 5.440 11.995 1.00 0.00 C ATOM 1338 CE1 HIS A 83 -12.284 3.771 10.940 1.00 0.00 C ATOM 1339 NE2 HIS A 83 -11.319 4.076 11.825 1.00 0.00 N ATOM 0 H HIS A 83 -10.169 7.406 10.353 1.00 0.00 H new ATOM 0 HA HIS A 83 -12.631 7.498 8.793 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -12.111 7.990 11.762 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -13.643 7.583 11.014 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.652 6.005 12.641 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.525 2.770 10.615 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -10.702 3.410 12.290 1.00 0.00 H new ATOM 1347 N VAL A 84 -11.111 10.204 9.626 1.00 0.00 N ATOM 1348 CA VAL A 84 -11.075 11.665 9.464 1.00 0.00 C ATOM 1349 C VAL A 84 -11.066 12.057 7.979 1.00 0.00 C ATOM 1350 O VAL A 84 -11.669 13.069 7.613 1.00 0.00 O ATOM 1351 CB VAL A 84 -9.855 12.249 10.214 1.00 0.00 C ATOM 1352 CG1 VAL A 84 -9.720 13.770 10.045 1.00 0.00 C ATOM 1353 CG2 VAL A 84 -9.954 11.955 11.719 1.00 0.00 C ATOM 0 H VAL A 84 -10.202 9.810 9.867 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.979 12.089 9.901 1.00 0.00 H new ATOM 0 HB VAL A 84 -8.981 11.768 9.775 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.846 14.121 10.594 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.605 14.010 8.988 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.613 14.260 10.433 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.087 12.374 12.229 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.863 12.405 12.119 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.983 10.877 11.878 1.00 0.00 H new ATOM 1363 N PHE A 85 -10.438 11.243 7.118 1.00 0.00 N ATOM 1364 CA PHE A 85 -10.343 11.495 5.682 1.00 0.00 C ATOM 1365 C PHE A 85 -11.571 10.964 4.929 1.00 0.00 C ATOM 1366 O PHE A 85 -12.468 11.741 4.599 1.00 0.00 O ATOM 1367 CB PHE A 85 -9.024 10.941 5.115 1.00 0.00 C ATOM 1368 CG PHE A 85 -7.748 11.445 5.766 1.00 0.00 C ATOM 1369 CD1 PHE A 85 -6.735 10.526 6.102 1.00 0.00 C ATOM 1370 CD2 PHE A 85 -7.552 12.819 6.014 1.00 0.00 C ATOM 1371 CE1 PHE A 85 -5.543 10.972 6.693 1.00 0.00 C ATOM 1372 CE2 PHE A 85 -6.353 13.264 6.598 1.00 0.00 C ATOM 1373 CZ PHE A 85 -5.345 12.340 6.928 1.00 0.00 C ATOM 0 H PHE A 85 -9.977 10.381 7.409 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.333 12.574 5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -9.045 9.854 5.199 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -8.982 11.178 4.052 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.876 9.474 5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -8.323 13.530 5.755 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.778 10.261 6.967 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.206 14.316 6.793 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.418 12.684 7.363 1.00 0.00 H new ATOM 1383 N SER A 86 -11.594 9.659 4.624 1.00 0.00 N ATOM 1384 CA SER A 86 -12.399 9.064 3.554 1.00 0.00 C ATOM 1385 C SER A 86 -12.139 9.781 2.214 1.00 0.00 C ATOM 1386 O SER A 86 -11.066 9.597 1.634 1.00 0.00 O ATOM 1387 CB SER A 86 -13.872 8.928 3.974 1.00 0.00 C ATOM 1388 OG SER A 86 -14.576 8.091 3.074 1.00 0.00 O ATOM 0 H SER A 86 -11.037 8.971 5.130 1.00 0.00 H new ATOM 0 HA SER A 86 -12.084 8.036 3.378 1.00 0.00 H new ATOM 0 HB2 SER A 86 -13.931 8.517 4.982 1.00 0.00 H new ATOM 0 HB3 SER A 86 -14.339 9.912 4.003 1.00 0.00 H new ATOM 0 HG SER A 86 -15.510 8.016 3.360 1.00 0.00 H new ATOM 1394 N ASP A 87 -13.047 10.654 1.754 1.00 0.00 N ATOM 1395 CA ASP A 87 -12.833 11.507 0.577 1.00 0.00 C ATOM 1396 C ASP A 87 -11.890 12.691 0.867 1.00 0.00 C ATOM 1397 O ASP A 87 -11.204 13.161 -0.042 1.00 0.00 O ATOM 1398 CB ASP A 87 -14.192 12.013 0.073 1.00 0.00 C ATOM 1399 CG ASP A 87 -14.047 12.845 -1.207 1.00 0.00 C ATOM 1400 OD1 ASP A 87 -14.119 14.094 -1.116 1.00 0.00 O ATOM 1401 OD2 ASP A 87 -13.856 12.237 -2.286 1.00 0.00 O1- ATOM 0 H ASP A 87 -13.958 10.789 2.193 1.00 0.00 H new ATOM 0 HA ASP A 87 -12.346 10.906 -0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -14.849 11.164 -0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -14.666 12.616 0.847 1.00 0.00 H new ATOM 1406 N GLY A 88 -11.847 13.166 2.121 1.00 0.00 N ATOM 1407 CA GLY A 88 -10.990 14.250 2.614 1.00 0.00 C ATOM 1408 C GLY A 88 -11.253 15.635 2.002 1.00 0.00 C ATOM 1409 O GLY A 88 -10.514 16.572 2.310 1.00 0.00 O ATOM 0 H GLY A 88 -12.441 12.783 2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.111 14.321 3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.950 13.981 2.426 1.00 0.00 H new ATOM 1413 N VAL A 89 -12.287 15.759 1.155 1.00 0.00 N ATOM 1414 CA VAL A 89 -12.618 16.897 0.285 1.00 0.00 C ATOM 1415 C VAL A 89 -11.524 17.189 -0.760 1.00 0.00 C ATOM 1416 O VAL A 89 -10.345 17.354 -0.442 1.00 0.00 O ATOM 1417 CB VAL A 89 -13.090 18.123 1.100 1.00 0.00 C ATOM 1418 CG1 VAL A 89 -13.468 19.305 0.201 1.00 0.00 C ATOM 1419 CG2 VAL A 89 -14.321 17.761 1.949 1.00 0.00 C ATOM 0 H VAL A 89 -12.967 15.006 1.053 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.480 16.612 -0.318 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.253 18.413 1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -13.793 20.142 0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -12.602 19.604 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -14.278 19.010 -0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -14.641 18.635 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -15.131 17.436 1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.064 16.955 2.637 1.00 0.00 H new ATOM 1429 N THR A 90 -11.939 17.284 -2.031 1.00 0.00 N ATOM 1430 CA THR A 90 -11.053 17.426 -3.204 1.00 0.00 C ATOM 1431 C THR A 90 -10.589 18.880 -3.431 1.00 0.00 C ATOM 1432 O THR A 90 -9.729 19.132 -4.273 1.00 0.00 O ATOM 1433 CB THR A 90 -11.734 16.796 -4.440 1.00 0.00 C ATOM 1434 OG1 THR A 90 -12.076 15.450 -4.158 1.00 0.00 O ATOM 1435 CG2 THR A 90 -10.870 16.745 -5.706 1.00 0.00 C ATOM 0 H THR A 90 -12.927 17.264 -2.283 1.00 0.00 H new ATOM 0 HA THR A 90 -10.130 16.879 -3.014 1.00 0.00 H new ATOM 0 HB THR A 90 -12.590 17.442 -4.634 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.237 14.971 -4.997 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.438 16.286 -6.516 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.583 17.757 -5.992 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.974 16.156 -5.512 1.00 0.00 H new ATOM 1443 N ASN A 91 -11.057 19.837 -2.617 1.00 0.00 N ATOM 1444 CA ASN A 91 -10.483 21.184 -2.519 1.00 0.00 C ATOM 1445 C ASN A 91 -9.156 21.208 -1.729 1.00 0.00 C ATOM 1446 O ASN A 91 -8.427 22.199 -1.795 1.00 0.00 O ATOM 1447 CB ASN A 91 -11.513 22.129 -1.879 1.00 0.00 C ATOM 1448 CG ASN A 91 -12.808 22.220 -2.679 1.00 0.00 C ATOM 1449 OD1 ASN A 91 -13.807 21.589 -2.347 1.00 0.00 O ATOM 1450 ND2 ASN A 91 -12.809 22.983 -3.761 1.00 0.00 N ATOM 0 H ASN A 91 -11.856 19.694 -2.000 1.00 0.00 H new ATOM 0 HA ASN A 91 -10.246 21.521 -3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.738 21.784 -0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.078 23.124 -1.786 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.650 23.054 -4.334 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.969 23.500 -4.021 1.00 0.00 H new ATOM 1457 N TRP A 92 -8.837 20.124 -1.000 1.00 0.00 N ATOM 1458 CA TRP A 92 -7.641 19.914 -0.166 1.00 0.00 C ATOM 1459 C TRP A 92 -7.486 20.859 1.046 1.00 0.00 C ATOM 1460 O TRP A 92 -6.588 20.649 1.865 1.00 0.00 O ATOM 1461 CB TRP A 92 -6.366 19.870 -1.034 1.00 0.00 C ATOM 1462 CG TRP A 92 -6.496 19.238 -2.392 1.00 0.00 C ATOM 1463 CD1 TRP A 92 -6.578 19.924 -3.554 1.00 0.00 C ATOM 1464 CD2 TRP A 92 -6.620 17.826 -2.761 1.00 0.00 C ATOM 1465 NE1 TRP A 92 -6.743 19.051 -4.607 1.00 0.00 N ATOM 1466 CE2 TRP A 92 -6.820 17.746 -4.172 1.00 0.00 C ATOM 1467 CE3 TRP A 92 -6.608 16.604 -2.053 1.00 0.00 C ATOM 1468 CZ2 TRP A 92 -7.034 16.530 -4.836 1.00 0.00 C ATOM 1469 CZ3 TRP A 92 -6.796 15.373 -2.714 1.00 0.00 C ATOM 1470 CH2 TRP A 92 -7.018 15.334 -4.102 1.00 0.00 C ATOM 0 H TRP A 92 -9.454 19.312 -0.977 1.00 0.00 H new ATOM 0 HA TRP A 92 -7.795 18.939 0.296 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.009 20.891 -1.167 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -5.596 19.333 -0.481 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.522 20.999 -3.644 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -6.801 19.335 -5.585 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -6.452 16.613 -0.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -7.209 16.514 -5.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.769 14.453 -2.150 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -7.175 14.389 -4.600 1.00 0.00 H new ATOM 1481 N GLY A 93 -8.364 21.861 1.206 1.00 0.00 N ATOM 1482 CA GLY A 93 -8.309 22.862 2.277 1.00 0.00 C ATOM 1483 C GLY A 93 -8.792 22.363 3.646 1.00 0.00 C ATOM 1484 O GLY A 93 -8.427 22.940 4.672 1.00 0.00 O ATOM 0 H GLY A 93 -9.153 21.999 0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.282 23.213 2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.913 23.721 1.985 1.00 0.00 H new ATOM 1488 N ARG A 94 -9.557 21.262 3.680 1.00 0.00 N ATOM 1489 CA ARG A 94 -10.047 20.612 4.909 1.00 0.00 C ATOM 1490 C ARG A 94 -8.968 19.754 5.586 1.00 0.00 C ATOM 1491 O ARG A 94 -8.995 19.578 6.806 1.00 0.00 O ATOM 1492 CB ARG A 94 -11.279 19.760 4.556 1.00 0.00 C ATOM 1493 CG ARG A 94 -12.485 20.586 4.072 1.00 0.00 C ATOM 1494 CD ARG A 94 -13.183 21.381 5.183 1.00 0.00 C ATOM 1495 NE ARG A 94 -13.921 20.492 6.100 1.00 0.00 N ATOM 1496 CZ ARG A 94 -14.785 20.874 7.039 1.00 0.00 C ATOM 1497 NH1 ARG A 94 -15.415 19.961 7.755 1.00 0.00 N1+ ATOM 1498 NH2 ARG A 94 -15.024 22.147 7.294 1.00 0.00 N1+ ATOM 0 H ARG A 94 -9.861 20.785 2.832 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.317 21.386 5.627 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.005 19.045 3.780 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.574 19.183 5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.152 21.278 3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.209 19.916 3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.443 21.951 5.744 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.871 22.101 4.740 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.754 19.490 6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -15.239 18.970 7.587 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -16.078 20.246 8.476 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.541 22.873 6.765 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -15.692 22.405 8.020 1.00 0.00 H new ATOM 1512 N ILE A 95 -7.984 19.290 4.806 1.00 0.00 N ATOM 1513 CA ILE A 95 -6.829 18.501 5.255 1.00 0.00 C ATOM 1514 C ILE A 95 -5.835 19.393 6.027 1.00 0.00 C ATOM 1515 O ILE A 95 -5.149 18.910 6.928 1.00 0.00 O ATOM 1516 CB ILE A 95 -6.154 17.814 4.036 1.00 0.00 C ATOM 1517 CG1 ILE A 95 -7.178 17.076 3.133 1.00 0.00 C ATOM 1518 CG2 ILE A 95 -5.067 16.823 4.501 1.00 0.00 C ATOM 1519 CD1 ILE A 95 -6.590 16.552 1.819 1.00 0.00 C ATOM 0 H ILE A 95 -7.970 19.461 3.801 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.168 17.722 5.938 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.697 18.607 3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.600 16.239 3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.001 17.754 2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.607 16.353 3.632 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.306 17.358 5.069 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.519 16.057 5.131 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.370 16.050 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.194 17.386 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.787 15.847 2.035 1.00 0.00 H new ATOM 1531 N VAL A 96 -5.824 20.707 5.750 1.00 0.00 N ATOM 1532 CA VAL A 96 -4.937 21.701 6.375 1.00 0.00 C ATOM 1533 C VAL A 96 -5.149 21.794 7.893 1.00 0.00 C ATOM 1534 O VAL A 96 -4.186 22.045 8.618 1.00 0.00 O ATOM 1535 CB VAL A 96 -5.132 23.086 5.715 1.00 0.00 C ATOM 1536 CG1 VAL A 96 -4.204 24.160 6.300 1.00 0.00 C ATOM 1537 CG2 VAL A 96 -4.862 23.032 4.204 1.00 0.00 C ATOM 0 H VAL A 96 -6.453 21.120 5.062 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.912 21.369 6.213 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.170 23.351 5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.386 25.110 5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.401 24.269 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.166 23.864 6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -5.008 24.022 3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.836 22.708 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.550 22.327 3.736 1.00 0.00 H new ATOM 1547 N THR A 97 -6.357 21.513 8.399 1.00 0.00 N ATOM 1548 CA THR A 97 -6.639 21.522 9.841 1.00 0.00 C ATOM 1549 C THR A 97 -5.983 20.342 10.572 1.00 0.00 C ATOM 1550 O THR A 97 -5.583 20.507 11.724 1.00 0.00 O ATOM 1551 CB THR A 97 -8.152 21.585 10.118 1.00 0.00 C ATOM 1552 OG1 THR A 97 -8.748 22.635 9.379 1.00 0.00 O ATOM 1553 CG2 THR A 97 -8.432 21.846 11.603 1.00 0.00 C ATOM 0 H THR A 97 -7.164 21.274 7.823 1.00 0.00 H new ATOM 0 HA THR A 97 -6.189 22.430 10.243 1.00 0.00 H new ATOM 0 HB THR A 97 -8.571 20.623 9.824 1.00 0.00 H new ATOM 0 HG1 THR A 97 -9.723 22.583 9.464 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.509 21.885 11.769 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.002 21.043 12.201 1.00 0.00 H new ATOM 0 HG23 THR A 97 -7.985 22.796 11.896 1.00 0.00 H new ATOM 1561 N LEU A 98 -5.760 19.203 9.899 1.00 0.00 N ATOM 1562 CA LEU A 98 -4.983 18.091 10.454 1.00 0.00 C ATOM 1563 C LEU A 98 -3.467 18.337 10.354 1.00 0.00 C ATOM 1564 O LEU A 98 -2.722 17.931 11.245 1.00 0.00 O ATOM 1565 CB LEU A 98 -5.367 16.772 9.759 1.00 0.00 C ATOM 1566 CG LEU A 98 -4.919 15.527 10.556 1.00 0.00 C ATOM 1567 CD1 LEU A 98 -5.660 15.331 11.885 1.00 0.00 C ATOM 1568 CD2 LEU A 98 -5.141 14.273 9.715 1.00 0.00 C ATOM 0 H LEU A 98 -6.113 19.030 8.958 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.226 18.018 11.514 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.448 16.740 9.620 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.917 16.744 8.767 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.866 15.691 10.786 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.286 14.436 12.381 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.494 16.197 12.525 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.727 15.221 11.694 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.824 13.396 10.279 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.199 14.183 9.468 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.559 14.343 8.796 1.00 0.00 H new ATOM 1580 N ILE A 99 -3.014 19.043 9.310 1.00 0.00 N ATOM 1581 CA ILE A 99 -1.603 19.384 9.084 1.00 0.00 C ATOM 1582 C ILE A 99 -1.125 20.426 10.113 1.00 0.00 C ATOM 1583 O ILE A 99 -0.020 20.296 10.644 1.00 0.00 O ATOM 1584 CB ILE A 99 -1.422 19.845 7.614 1.00 0.00 C ATOM 1585 CG1 ILE A 99 -1.674 18.659 6.651 1.00 0.00 C ATOM 1586 CG2 ILE A 99 -0.027 20.450 7.371 1.00 0.00 C ATOM 1587 CD1 ILE A 99 -1.773 19.058 5.172 1.00 0.00 C ATOM 0 H ILE A 99 -3.632 19.401 8.582 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.972 18.507 9.233 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.154 20.628 7.418 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.868 17.934 6.767 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.597 18.159 6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.059 20.760 6.330 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.113 21.315 8.020 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.737 19.704 7.591 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.950 18.169 4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.598 19.758 5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.842 19.530 4.859 1.00 0.00 H new ATOM 1599 N SER A 100 -1.982 21.392 10.468 1.00 0.00 N ATOM 1600 CA SER A 100 -1.724 22.409 11.498 1.00 0.00 C ATOM 1601 C SER A 100 -2.008 21.925 12.927 1.00 0.00 C ATOM 1602 O SER A 100 -1.378 22.424 13.862 1.00 0.00 O ATOM 1603 CB SER A 100 -2.484 23.701 11.176 1.00 0.00 C ATOM 1604 OG SER A 100 -3.878 23.485 11.079 1.00 0.00 O ATOM 0 H SER A 100 -2.900 21.491 10.035 1.00 0.00 H new ATOM 0 HA SER A 100 -0.654 22.614 11.473 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.285 24.441 11.951 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.115 24.114 10.237 1.00 0.00 H new ATOM 0 HG SER A 100 -4.083 23.050 10.225 1.00 0.00 H new ATOM 1610 N PHE A 101 -2.834 20.881 13.099 1.00 0.00 N ATOM 1611 CA PHE A 101 -2.930 20.134 14.354 1.00 0.00 C ATOM 1612 C PHE A 101 -1.624 19.376 14.616 1.00 0.00 C ATOM 1613 O PHE A 101 -1.049 19.512 15.694 1.00 0.00 O ATOM 1614 CB PHE A 101 -4.127 19.170 14.314 1.00 0.00 C ATOM 1615 CG PHE A 101 -4.123 18.131 15.421 1.00 0.00 C ATOM 1616 CD1 PHE A 101 -3.888 16.779 15.110 1.00 0.00 C ATOM 1617 CD2 PHE A 101 -4.289 18.518 16.764 1.00 0.00 C ATOM 1618 CE1 PHE A 101 -3.791 15.825 16.139 1.00 0.00 C ATOM 1619 CE2 PHE A 101 -4.215 17.563 17.793 1.00 0.00 C ATOM 1620 CZ PHE A 101 -3.962 16.215 17.480 1.00 0.00 C ATOM 0 H PHE A 101 -3.454 20.534 12.367 1.00 0.00 H new ATOM 0 HA PHE A 101 -3.090 20.836 15.172 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.048 19.749 14.377 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -4.137 18.659 13.351 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.782 16.473 14.080 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -4.474 19.554 17.005 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.585 14.792 15.900 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.352 17.863 18.821 1.00 0.00 H new ATOM 0 HZ PHE A 101 -3.899 15.480 18.269 1.00 0.00 H new ATOM 1630 N GLY A 102 -1.099 18.669 13.606 1.00 0.00 N ATOM 1631 CA GLY A 102 0.166 17.945 13.691 1.00 0.00 C ATOM 1632 C GLY A 102 1.360 18.866 13.951 1.00 0.00 C ATOM 1633 O GLY A 102 2.249 18.501 14.716 1.00 0.00 O ATOM 0 H GLY A 102 -1.552 18.586 12.696 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.103 17.205 14.489 1.00 0.00 H new ATOM 0 HA3 GLY A 102 0.330 17.399 12.762 1.00 0.00 H new ATOM 1637 N ALA A 103 1.344 20.093 13.419 1.00 0.00 N ATOM 1638 CA ALA A 103 2.409 21.072 13.623 1.00 0.00 C ATOM 1639 C ALA A 103 2.410 21.678 15.040 1.00 0.00 C ATOM 1640 O ALA A 103 3.474 22.036 15.551 1.00 0.00 O ATOM 1641 CB ALA A 103 2.286 22.144 12.539 1.00 0.00 C ATOM 0 H ALA A 103 0.584 20.434 12.830 1.00 0.00 H new ATOM 0 HA ALA A 103 3.371 20.567 13.538 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.072 22.887 12.671 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.385 21.682 11.557 1.00 0.00 H new ATOM 0 HB3 ALA A 103 1.312 22.628 12.615 1.00 0.00 H new ATOM 1647 N PHE A 104 1.250 21.707 15.707 1.00 0.00 N ATOM 1648 CA PHE A 104 1.100 22.131 17.101 1.00 0.00 C ATOM 1649 C PHE A 104 1.391 20.991 18.098 1.00 0.00 C ATOM 1650 O PHE A 104 1.912 21.244 19.186 1.00 0.00 O ATOM 1651 CB PHE A 104 -0.312 22.706 17.274 1.00 0.00 C ATOM 1652 CG PHE A 104 -0.577 23.318 18.635 1.00 0.00 C ATOM 1653 CD1 PHE A 104 -1.559 22.769 19.479 1.00 0.00 C ATOM 1654 CD2 PHE A 104 0.150 24.450 19.053 1.00 0.00 C ATOM 1655 CE1 PHE A 104 -1.824 23.355 20.728 1.00 0.00 C ATOM 1656 CE2 PHE A 104 -0.109 25.032 20.305 1.00 0.00 C ATOM 1657 CZ PHE A 104 -1.099 24.487 21.141 1.00 0.00 C ATOM 0 H PHE A 104 0.367 21.428 15.279 1.00 0.00 H new ATOM 0 HA PHE A 104 1.839 22.899 17.327 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.478 23.465 16.509 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.038 21.912 17.098 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.111 21.895 19.166 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.908 24.871 18.409 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.584 22.936 21.371 1.00 0.00 H new ATOM 0 HE2 PHE A 104 0.452 25.898 20.625 1.00 0.00 H new ATOM 0 HZ PHE A 104 -1.303 24.938 22.101 1.00 0.00 H new ATOM 1667 N VAL A 105 1.169 19.732 17.697 1.00 0.00 N ATOM 1668 CA VAL A 105 1.593 18.531 18.432 1.00 0.00 C ATOM 1669 C VAL A 105 3.117 18.354 18.346 1.00 0.00 C ATOM 1670 O VAL A 105 3.749 18.011 19.346 1.00 0.00 O ATOM 1671 CB VAL A 105 0.844 17.296 17.888 1.00 0.00 C ATOM 1672 CG1 VAL A 105 1.383 15.981 18.469 1.00 0.00 C ATOM 1673 CG2 VAL A 105 -0.656 17.355 18.207 1.00 0.00 C ATOM 0 H VAL A 105 0.677 19.514 16.830 1.00 0.00 H new ATOM 0 HA VAL A 105 1.340 18.645 19.486 1.00 0.00 H new ATOM 0 HB VAL A 105 1.006 17.317 16.810 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.822 15.143 18.054 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.437 15.875 18.212 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.273 15.990 19.553 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.148 16.468 17.808 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.797 17.393 19.287 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.090 18.246 17.753 1.00 0.00 H new ATOM 1683 N ALA A 106 3.727 18.684 17.201 1.00 0.00 N ATOM 1684 CA ALA A 106 5.176 18.682 17.002 1.00 0.00 C ATOM 1685 C ALA A 106 5.881 19.754 17.850 1.00 0.00 C ATOM 1686 O ALA A 106 7.009 19.541 18.296 1.00 0.00 O ATOM 1687 CB ALA A 106 5.456 18.894 15.511 1.00 0.00 C ATOM 0 H ALA A 106 3.211 18.967 16.368 1.00 0.00 H new ATOM 0 HA ALA A 106 5.577 17.723 17.330 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.532 18.896 15.340 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.999 18.088 14.937 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.036 19.849 15.194 1.00 0.00 H new ATOM 1693 N LYS A 107 5.194 20.869 18.138 1.00 0.00 N ATOM 1694 CA LYS A 107 5.671 21.950 19.006 1.00 0.00 C ATOM 1695 C LYS A 107 5.644 21.554 20.493 1.00 0.00 C ATOM 1696 O LYS A 107 6.555 21.925 21.234 1.00 0.00 O ATOM 1697 CB LYS A 107 4.822 23.197 18.711 1.00 0.00 C ATOM 1698 CG LYS A 107 5.386 24.482 19.329 1.00 0.00 C ATOM 1699 CD LYS A 107 4.493 25.673 18.958 1.00 0.00 C ATOM 1700 CE LYS A 107 5.103 26.980 19.470 1.00 0.00 C ATOM 1701 NZ LYS A 107 4.270 28.144 19.097 1.00 0.00 N1+ ATOM 0 H LYS A 107 4.263 21.047 17.761 1.00 0.00 H new ATOM 0 HA LYS A 107 6.718 22.165 18.793 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.744 23.326 17.632 1.00 0.00 H new ATOM 0 HB3 LYS A 107 3.812 23.036 19.087 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.441 24.381 20.413 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.402 24.652 18.972 1.00 0.00 H new ATOM 0 HD2 LYS A 107 4.371 25.721 17.876 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.499 25.537 19.385 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.205 26.936 20.554 1.00 0.00 H new ATOM 0 HE3 LYS A 107 6.106 27.101 19.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.709 29.015 19.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.193 28.198 18.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 3.321 28.038 19.509 1.00 0.00 H new ATOM 1715 N HIS A 108 4.690 20.706 20.903 1.00 0.00 N ATOM 1716 CA HIS A 108 4.632 20.107 22.245 1.00 0.00 C ATOM 1717 C HIS A 108 5.656 18.973 22.426 1.00 0.00 C ATOM 1718 O HIS A 108 6.171 18.781 23.528 1.00 0.00 O ATOM 1719 CB HIS A 108 3.201 19.618 22.517 1.00 0.00 C ATOM 1720 CG HIS A 108 2.963 19.165 23.939 1.00 0.00 C ATOM 1721 ND1 HIS A 108 3.241 19.920 25.084 1.00 0.00 N ATOM 1722 CD2 HIS A 108 2.400 17.980 24.319 1.00 0.00 C ATOM 1723 CE1 HIS A 108 2.840 19.167 26.121 1.00 0.00 C ATOM 1724 NE2 HIS A 108 2.331 18.000 25.693 1.00 0.00 N ATOM 0 H HIS A 108 3.922 20.411 20.300 1.00 0.00 H new ATOM 0 HA HIS A 108 4.899 20.872 22.974 1.00 0.00 H new ATOM 0 HB2 HIS A 108 2.503 20.422 22.282 1.00 0.00 H new ATOM 0 HB3 HIS A 108 2.976 18.792 21.842 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.073 17.183 23.668 1.00 0.00 H new ATOM 0 HE1 HIS A 108 2.916 19.460 27.158 1.00 0.00 H new ATOM 0 HE2 HIS A 108 1.958 17.257 26.284 1.00 0.00 H new ATOM 1732 N LEU A 109 6.039 18.297 21.336 1.00 0.00 N ATOM 1733 CA LEU A 109 7.128 17.318 21.317 1.00 0.00 C ATOM 1734 C LEU A 109 8.513 17.990 21.328 1.00 0.00 C ATOM 1735 O LEU A 109 9.442 17.413 21.890 1.00 0.00 O ATOM 1736 CB LEU A 109 6.947 16.377 20.111 1.00 0.00 C ATOM 1737 CG LEU A 109 5.789 15.370 20.286 1.00 0.00 C ATOM 1738 CD1 LEU A 109 5.457 14.716 18.942 1.00 0.00 C ATOM 1739 CD2 LEU A 109 6.147 14.270 21.294 1.00 0.00 C ATOM 0 H LEU A 109 5.592 18.419 20.427 1.00 0.00 H new ATOM 0 HA LEU A 109 7.082 16.726 22.231 1.00 0.00 H new ATOM 0 HB2 LEU A 109 6.767 16.975 19.217 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.874 15.828 19.946 1.00 0.00 H new ATOM 0 HG LEU A 109 4.928 15.923 20.661 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.639 14.007 19.074 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.160 15.484 18.227 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.335 14.191 18.566 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.309 13.580 21.392 1.00 0.00 H new ATOM 0 HD22 LEU A 109 7.025 13.728 20.944 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.361 14.720 22.263 1.00 0.00 H new ATOM 1751 N LYS A 110 8.641 19.237 20.845 1.00 0.00 N ATOM 1752 CA LYS A 110 9.852 20.063 20.994 1.00 0.00 C ATOM 1753 C LYS A 110 9.921 20.848 22.311 1.00 0.00 C ATOM 1754 O LYS A 110 10.999 21.339 22.652 1.00 0.00 O ATOM 1755 CB LYS A 110 10.038 20.987 19.775 1.00 0.00 C ATOM 1756 CG LYS A 110 10.731 20.304 18.584 1.00 0.00 C ATOM 1757 CD LYS A 110 12.154 19.814 18.917 1.00 0.00 C ATOM 1758 CE LYS A 110 12.986 19.496 17.673 1.00 0.00 C ATOM 1759 NZ LYS A 110 12.341 18.477 16.819 1.00 0.00 N1+ ATOM 0 H LYS A 110 7.895 19.707 20.332 1.00 0.00 H new ATOM 0 HA LYS A 110 10.686 19.363 21.037 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.062 21.354 19.455 1.00 0.00 H new ATOM 0 HB3 LYS A 110 10.623 21.857 20.075 1.00 0.00 H new ATOM 0 HG2 LYS A 110 10.128 19.457 18.257 1.00 0.00 H new ATOM 0 HG3 LYS A 110 10.779 21.003 17.749 1.00 0.00 H new ATOM 0 HD2 LYS A 110 12.666 20.576 19.504 1.00 0.00 H new ATOM 0 HD3 LYS A 110 12.088 18.922 19.540 1.00 0.00 H new ATOM 0 HE2 LYS A 110 13.138 20.408 17.096 1.00 0.00 H new ATOM 0 HE3 LYS A 110 13.971 19.143 17.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 13.019 18.143 16.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 12.035 17.675 17.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.515 18.894 16.345 1.00 0.00 H new ATOM 1773 N THR A 111 8.853 20.851 23.118 1.00 0.00 N ATOM 1774 CA THR A 111 8.907 21.301 24.520 1.00 0.00 C ATOM 1775 C THR A 111 9.690 20.297 25.389 1.00 0.00 C ATOM 1776 O THR A 111 10.330 20.700 26.362 1.00 0.00 O ATOM 1777 CB THR A 111 7.483 21.547 25.056 1.00 0.00 C ATOM 1778 OG1 THR A 111 6.830 22.517 24.255 1.00 0.00 O ATOM 1779 CG2 THR A 111 7.453 22.070 26.495 1.00 0.00 C ATOM 0 H THR A 111 7.927 20.543 22.821 1.00 0.00 H new ATOM 0 HA THR A 111 9.445 22.248 24.568 1.00 0.00 H new ATOM 0 HB THR A 111 6.986 20.577 25.026 1.00 0.00 H new ATOM 0 HG1 THR A 111 6.710 22.166 23.348 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.419 22.220 26.806 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.929 21.345 27.156 1.00 0.00 H new ATOM 0 HG23 THR A 111 7.990 23.017 26.549 1.00 0.00 H new ATOM 1787 N ILE A 112 9.742 19.022 24.970 1.00 0.00 N ATOM 1788 CA ILE A 112 10.577 17.955 25.547 1.00 0.00 C ATOM 1789 C ILE A 112 11.727 17.516 24.611 1.00 0.00 C ATOM 1790 O ILE A 112 12.390 16.510 24.871 1.00 0.00 O ATOM 1791 CB ILE A 112 9.696 16.779 26.028 1.00 0.00 C ATOM 1792 CG1 ILE A 112 8.941 16.119 24.854 1.00 0.00 C ATOM 1793 CG2 ILE A 112 8.734 17.252 27.135 1.00 0.00 C ATOM 1794 CD1 ILE A 112 8.247 14.816 25.246 1.00 0.00 C ATOM 0 H ILE A 112 9.179 18.692 24.186 1.00 0.00 H new ATOM 0 HA ILE A 112 11.079 18.364 26.424 1.00 0.00 H new ATOM 0 HB ILE A 112 10.346 16.013 26.451 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.198 16.818 24.469 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.643 15.921 24.044 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.119 16.415 27.465 1.00 0.00 H new ATOM 0 HG22 ILE A 112 9.309 17.634 27.978 1.00 0.00 H new ATOM 0 HG23 ILE A 112 8.092 18.042 26.746 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.734 14.401 24.378 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.989 14.102 25.605 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.522 15.013 26.036 1.00 0.00 H new ATOM 1806 N ASN A 113 11.990 18.291 23.548 1.00 0.00 N ATOM 1807 CA ASN A 113 13.097 18.142 22.593 1.00 0.00 C ATOM 1808 C ASN A 113 13.185 16.772 21.881 1.00 0.00 C ATOM 1809 O ASN A 113 14.272 16.339 21.489 1.00 0.00 O ATOM 1810 CB ASN A 113 14.416 18.620 23.232 1.00 0.00 C ATOM 1811 CG ASN A 113 14.335 20.070 23.694 1.00 0.00 C ATOM 1812 OD1 ASN A 113 14.499 20.995 22.905 1.00 0.00 O ATOM 1813 ND2 ASN A 113 14.047 20.299 24.967 1.00 0.00 N ATOM 0 H ASN A 113 11.397 19.089 23.318 1.00 0.00 H new ATOM 0 HA ASN A 113 12.876 18.801 21.754 1.00 0.00 H new ATOM 0 HB2 ASN A 113 14.659 17.982 24.082 1.00 0.00 H new ATOM 0 HB3 ASN A 113 15.227 18.514 22.511 1.00 0.00 H new ATOM 0 HD21 ASN A 113 13.958 21.257 25.305 1.00 0.00 H new ATOM 0 HD22 ASN A 113 13.914 19.517 25.608 1.00 0.00 H new ATOM 1820 N GLN A 114 12.043 16.106 21.669 1.00 0.00 N ATOM 1821 CA GLN A 114 11.920 14.896 20.848 1.00 0.00 C ATOM 1822 C GLN A 114 11.792 15.237 19.355 1.00 0.00 C ATOM 1823 O GLN A 114 11.311 16.311 18.982 1.00 0.00 O ATOM 1824 CB GLN A 114 10.727 14.047 21.319 1.00 0.00 C ATOM 1825 CG GLN A 114 10.991 13.394 22.687 1.00 0.00 C ATOM 1826 CD GLN A 114 9.840 12.510 23.173 1.00 0.00 C ATOM 1827 OE1 GLN A 114 8.797 12.377 22.539 1.00 0.00 O ATOM 1828 NE2 GLN A 114 10.008 11.877 24.324 1.00 0.00 N ATOM 0 H GLN A 114 11.155 16.402 22.075 1.00 0.00 H new ATOM 0 HA GLN A 114 12.833 14.314 20.973 1.00 0.00 H new ATOM 0 HB2 GLN A 114 9.838 14.674 21.382 1.00 0.00 H new ATOM 0 HB3 GLN A 114 10.519 13.272 20.581 1.00 0.00 H new ATOM 0 HG2 GLN A 114 11.899 12.794 22.625 1.00 0.00 H new ATOM 0 HG3 GLN A 114 11.175 14.175 23.424 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.876 11.991 24.847 1.00 0.00 H new ATOM 0 HE22 GLN A 114 9.269 11.275 24.688 1.00 0.00 H new ATOM 1837 N GLU A 115 12.211 14.300 18.495 1.00 0.00 N ATOM 1838 CA GLU A 115 12.163 14.433 17.031 1.00 0.00 C ATOM 1839 C GLU A 115 11.870 13.103 16.315 1.00 0.00 C ATOM 1840 O GLU A 115 11.224 13.111 15.265 1.00 0.00 O ATOM 1841 CB GLU A 115 13.489 15.051 16.557 1.00 0.00 C ATOM 1842 CG GLU A 115 13.430 15.489 15.089 1.00 0.00 C ATOM 1843 CD GLU A 115 14.575 16.449 14.753 1.00 0.00 C ATOM 1844 OE1 GLU A 115 14.337 17.678 14.814 1.00 0.00 O ATOM 1845 OE2 GLU A 115 15.690 15.968 14.444 1.00 0.00 O1- ATOM 0 H GLU A 115 12.601 13.409 18.803 1.00 0.00 H new ATOM 0 HA GLU A 115 11.331 15.086 16.769 1.00 0.00 H new ATOM 0 HB2 GLU A 115 13.731 15.911 17.182 1.00 0.00 H new ATOM 0 HB3 GLU A 115 14.293 14.326 16.686 1.00 0.00 H new ATOM 0 HG2 GLU A 115 13.484 14.613 14.443 1.00 0.00 H new ATOM 0 HG3 GLU A 115 12.474 15.974 14.889 1.00 0.00 H new ATOM 1852 N SER A 116 12.209 11.963 16.936 1.00 0.00 N ATOM 1853 CA SER A 116 11.797 10.619 16.495 1.00 0.00 C ATOM 1854 C SER A 116 10.318 10.315 16.794 1.00 0.00 C ATOM 1855 O SER A 116 9.805 9.281 16.364 1.00 0.00 O ATOM 1856 CB SER A 116 12.700 9.558 17.136 1.00 0.00 C ATOM 1857 OG SER A 116 14.043 9.723 16.715 1.00 0.00 O ATOM 0 H SER A 116 12.788 11.948 17.775 1.00 0.00 H new ATOM 0 HA SER A 116 11.907 10.592 15.411 1.00 0.00 H new ATOM 0 HB2 SER A 116 12.642 9.632 18.222 1.00 0.00 H new ATOM 0 HB3 SER A 116 12.348 8.562 16.865 1.00 0.00 H new ATOM 0 HG SER A 116 14.604 9.038 17.136 1.00 0.00 H new ATOM 1863 N SER A 117 9.620 11.232 17.479 1.00 0.00 N ATOM 1864 CA SER A 117 8.168 11.228 17.695 1.00 0.00 C ATOM 1865 C SER A 117 7.415 12.096 16.672 1.00 0.00 C ATOM 1866 O SER A 117 6.190 12.009 16.592 1.00 0.00 O ATOM 1867 CB SER A 117 7.870 11.711 19.120 1.00 0.00 C ATOM 1868 OG SER A 117 8.569 10.935 20.077 1.00 0.00 O ATOM 0 H SER A 117 10.074 12.033 17.917 1.00 0.00 H new ATOM 0 HA SER A 117 7.814 10.206 17.559 1.00 0.00 H new ATOM 0 HB2 SER A 117 8.154 12.759 19.219 1.00 0.00 H new ATOM 0 HB3 SER A 117 6.799 11.651 19.311 1.00 0.00 H new ATOM 0 HG SER A 117 8.629 11.431 20.920 1.00 0.00 H new ATOM 1874 N ILE A 118 8.133 12.908 15.880 1.00 0.00 N ATOM 1875 CA ILE A 118 7.582 13.828 14.873 1.00 0.00 C ATOM 1876 C ILE A 118 7.719 13.238 13.451 1.00 0.00 C ATOM 1877 O ILE A 118 6.892 13.524 12.583 1.00 0.00 O ATOM 1878 CB ILE A 118 8.232 15.229 15.017 1.00 0.00 C ATOM 1879 CG1 ILE A 118 8.121 15.772 16.466 1.00 0.00 C ATOM 1880 CG2 ILE A 118 7.571 16.217 14.038 1.00 0.00 C ATOM 1881 CD1 ILE A 118 8.897 17.071 16.719 1.00 0.00 C ATOM 0 H ILE A 118 9.151 12.943 15.925 1.00 0.00 H new ATOM 0 HA ILE A 118 6.513 13.954 15.046 1.00 0.00 H new ATOM 0 HB ILE A 118 9.291 15.127 14.780 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.069 15.941 16.698 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.481 15.008 17.155 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.033 17.199 14.145 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.706 15.862 13.016 1.00 0.00 H new ATOM 0 HG23 ILE A 118 6.506 16.291 14.259 1.00 0.00 H new ATOM 0 HD11 ILE A 118 8.764 17.378 17.756 1.00 0.00 H new ATOM 0 HD12 ILE A 118 9.956 16.906 16.523 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.523 17.853 16.058 1.00 0.00 H new ATOM 1893 N GLU A 119 8.669 12.318 13.232 1.00 0.00 N ATOM 1894 CA GLU A 119 8.739 11.481 12.029 1.00 0.00 C ATOM 1895 C GLU A 119 7.488 10.591 11.853 1.00 0.00 C ATOM 1896 O GLU A 119 6.867 10.681 10.789 1.00 0.00 O ATOM 1897 CB GLU A 119 10.029 10.638 12.032 1.00 0.00 C ATOM 1898 CG GLU A 119 11.307 11.457 11.808 1.00 0.00 C ATOM 1899 CD GLU A 119 11.352 12.082 10.408 1.00 0.00 C ATOM 1900 OE1 GLU A 119 11.623 11.343 9.433 1.00 0.00 O ATOM 1901 OE2 GLU A 119 11.111 13.307 10.302 1.00 0.00 O1- ATOM 0 H GLU A 119 9.421 12.133 13.896 1.00 0.00 H new ATOM 0 HA GLU A 119 8.763 12.151 11.170 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.107 10.114 12.985 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.956 9.877 11.255 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.369 12.245 12.559 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.177 10.816 11.947 1.00 0.00 H new ATOM 1908 N PRO A 120 7.023 9.818 12.863 1.00 0.00 N ATOM 1909 CA PRO A 120 5.786 9.045 12.759 1.00 0.00 C ATOM 1910 C PRO A 120 4.517 9.908 12.839 1.00 0.00 C ATOM 1911 O PRO A 120 3.447 9.414 12.491 1.00 0.00 O ATOM 1912 CB PRO A 120 5.842 8.022 13.898 1.00 0.00 C ATOM 1913 CG PRO A 120 6.657 8.743 14.965 1.00 0.00 C ATOM 1914 CD PRO A 120 7.680 9.501 14.124 1.00 0.00 C ATOM 0 HA PRO A 120 5.722 8.568 11.781 1.00 0.00 H new ATOM 0 HB2 PRO A 120 4.846 7.763 14.257 1.00 0.00 H new ATOM 0 HB3 PRO A 120 6.319 7.094 13.584 1.00 0.00 H new ATOM 0 HG2 PRO A 120 6.042 9.415 15.563 1.00 0.00 H new ATOM 0 HG3 PRO A 120 7.132 8.046 15.656 1.00 0.00 H new ATOM 0 HD2 PRO A 120 8.004 10.409 14.632 1.00 0.00 H new ATOM 0 HD3 PRO A 120 8.570 8.895 13.956 1.00 0.00 H new ATOM 1922 N LEU A 121 4.611 11.183 13.245 1.00 0.00 N ATOM 1923 CA LEU A 121 3.479 12.116 13.259 1.00 0.00 C ATOM 1924 C LEU A 121 3.145 12.611 11.849 1.00 0.00 C ATOM 1925 O LEU A 121 1.968 12.747 11.509 1.00 0.00 O ATOM 1926 CB LEU A 121 3.808 13.285 14.201 1.00 0.00 C ATOM 1927 CG LEU A 121 2.659 14.277 14.452 1.00 0.00 C ATOM 1928 CD1 LEU A 121 1.442 13.647 15.139 1.00 0.00 C ATOM 1929 CD2 LEU A 121 3.205 15.398 15.336 1.00 0.00 C ATOM 0 H LEU A 121 5.483 11.597 13.575 1.00 0.00 H new ATOM 0 HA LEU A 121 2.592 11.599 13.626 1.00 0.00 H new ATOM 0 HB2 LEU A 121 4.129 12.877 15.160 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.655 13.834 13.789 1.00 0.00 H new ATOM 0 HG LEU A 121 2.311 14.638 13.484 1.00 0.00 H new ATOM 0 HD11 LEU A 121 0.673 14.405 15.283 1.00 0.00 H new ATOM 0 HD12 LEU A 121 1.048 12.844 14.516 1.00 0.00 H new ATOM 0 HD13 LEU A 121 1.739 13.243 16.107 1.00 0.00 H new ATOM 0 HD21 LEU A 121 2.415 16.122 15.535 1.00 0.00 H new ATOM 0 HD22 LEU A 121 3.559 14.979 16.278 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.031 15.894 14.826 1.00 0.00 H new ATOM 1941 N ALA A 122 4.168 12.783 11.006 1.00 0.00 N ATOM 1942 CA ALA A 122 4.000 13.087 9.592 1.00 0.00 C ATOM 1943 C ALA A 122 3.430 11.886 8.819 1.00 0.00 C ATOM 1944 O ALA A 122 2.630 12.082 7.907 1.00 0.00 O ATOM 1945 CB ALA A 122 5.351 13.534 9.031 1.00 0.00 C ATOM 0 H ALA A 122 5.144 12.713 11.295 1.00 0.00 H new ATOM 0 HA ALA A 122 3.275 13.892 9.475 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.246 13.767 7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 122 5.691 14.421 9.565 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.080 12.733 9.156 1.00 0.00 H new ATOM 1951 N GLU A 123 3.750 10.651 9.230 1.00 0.00 N ATOM 1952 CA GLU A 123 3.206 9.417 8.647 1.00 0.00 C ATOM 1953 C GLU A 123 1.786 9.105 9.150 1.00 0.00 C ATOM 1954 O GLU A 123 0.959 8.625 8.375 1.00 0.00 O ATOM 1955 CB GLU A 123 4.133 8.236 8.963 1.00 0.00 C ATOM 1956 CG GLU A 123 5.505 8.352 8.291 1.00 0.00 C ATOM 1957 CD GLU A 123 6.385 7.158 8.678 1.00 0.00 C ATOM 1958 OE1 GLU A 123 6.326 6.122 7.974 1.00 0.00 O ATOM 1959 OE2 GLU A 123 7.116 7.262 9.691 1.00 0.00 O1- ATOM 0 H GLU A 123 4.407 10.479 9.991 1.00 0.00 H new ATOM 0 HA GLU A 123 3.146 9.571 7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.268 8.167 10.042 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.655 7.311 8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 123 5.386 8.390 7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 123 5.988 9.282 8.591 1.00 0.00 H new ATOM 1966 N SER A 124 1.465 9.445 10.405 1.00 0.00 N ATOM 1967 CA SER A 124 0.124 9.296 10.986 1.00 0.00 C ATOM 1968 C SER A 124 -0.911 10.171 10.260 1.00 0.00 C ATOM 1969 O SER A 124 -2.094 9.825 10.219 1.00 0.00 O ATOM 1970 CB SER A 124 0.186 9.649 12.478 1.00 0.00 C ATOM 1971 OG SER A 124 -1.046 9.386 13.121 1.00 0.00 O ATOM 0 H SER A 124 2.143 9.839 11.058 1.00 0.00 H new ATOM 0 HA SER A 124 -0.198 8.262 10.866 1.00 0.00 H new ATOM 0 HB2 SER A 124 0.978 9.074 12.957 1.00 0.00 H new ATOM 0 HB3 SER A 124 0.442 10.702 12.594 1.00 0.00 H new ATOM 0 HG SER A 124 -1.094 9.895 13.957 1.00 0.00 H new ATOM 1977 N ILE A 125 -0.448 11.245 9.607 1.00 0.00 N ATOM 1978 CA ILE A 125 -1.227 12.075 8.693 1.00 0.00 C ATOM 1979 C ILE A 125 -1.135 11.506 7.268 1.00 0.00 C ATOM 1980 O ILE A 125 -2.164 11.152 6.696 1.00 0.00 O ATOM 1981 CB ILE A 125 -0.767 13.551 8.792 1.00 0.00 C ATOM 1982 CG1 ILE A 125 -1.021 14.098 10.217 1.00 0.00 C ATOM 1983 CG2 ILE A 125 -1.490 14.419 7.742 1.00 0.00 C ATOM 1984 CD1 ILE A 125 -0.405 15.476 10.486 1.00 0.00 C ATOM 0 H ILE A 125 0.515 11.567 9.708 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.280 12.058 8.973 1.00 0.00 H new ATOM 0 HB ILE A 125 0.303 13.593 8.589 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -2.097 14.155 10.385 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.623 13.388 10.942 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.152 15.452 7.829 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.263 14.046 6.743 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.566 14.374 7.911 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.631 15.783 11.507 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.676 15.423 10.354 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -0.821 16.203 9.788 1.00 0.00 H new ATOM 1996 N THR A 126 0.069 11.421 6.685 1.00 0.00 N ATOM 1997 CA THR A 126 0.245 11.326 5.225 1.00 0.00 C ATOM 1998 C THR A 126 0.217 9.895 4.686 1.00 0.00 C ATOM 1999 O THR A 126 -0.341 9.670 3.611 1.00 0.00 O ATOM 2000 CB THR A 126 1.543 12.009 4.755 1.00 0.00 C ATOM 2001 OG1 THR A 126 1.820 13.192 5.474 1.00 0.00 O ATOM 2002 CG2 THR A 126 1.452 12.395 3.277 1.00 0.00 C ATOM 0 H THR A 126 0.945 11.416 7.207 1.00 0.00 H new ATOM 0 HA THR A 126 -0.619 11.850 4.817 1.00 0.00 H new ATOM 0 HB THR A 126 2.337 11.282 4.925 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.108 12.963 6.382 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.380 12.876 2.969 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.290 11.500 2.676 1.00 0.00 H new ATOM 0 HG23 THR A 126 0.621 13.085 3.132 1.00 0.00 H new ATOM 2010 N ASP A 127 0.763 8.915 5.418 1.00 0.00 N ATOM 2011 CA ASP A 127 0.693 7.501 5.023 1.00 0.00 C ATOM 2012 C ASP A 127 -0.748 6.969 5.112 1.00 0.00 C ATOM 2013 O ASP A 127 -1.128 6.077 4.353 1.00 0.00 O ATOM 2014 CB ASP A 127 1.633 6.649 5.888 1.00 0.00 C ATOM 2015 CG ASP A 127 1.863 5.263 5.271 1.00 0.00 C ATOM 2016 OD1 ASP A 127 2.415 5.196 4.147 1.00 0.00 O ATOM 2017 OD2 ASP A 127 1.500 4.260 5.926 1.00 0.00 O1- ATOM 0 H ASP A 127 1.262 9.077 6.293 1.00 0.00 H new ATOM 0 HA ASP A 127 1.016 7.429 3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 127 2.589 7.161 6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 127 1.210 6.538 6.886 1.00 0.00 H new ATOM 2022 N VAL A 128 -1.562 7.579 5.983 1.00 0.00 N ATOM 2023 CA VAL A 128 -2.987 7.290 6.173 1.00 0.00 C ATOM 2024 C VAL A 128 -3.857 8.087 5.183 1.00 0.00 C ATOM 2025 O VAL A 128 -4.913 7.608 4.763 1.00 0.00 O ATOM 2026 CB VAL A 128 -3.375 7.572 7.642 1.00 0.00 C ATOM 2027 CG1 VAL A 128 -4.809 7.106 7.920 1.00 0.00 C ATOM 2028 CG2 VAL A 128 -2.451 6.853 8.642 1.00 0.00 C ATOM 0 H VAL A 128 -1.230 8.319 6.601 1.00 0.00 H new ATOM 0 HA VAL A 128 -3.170 6.236 5.964 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.280 8.649 7.777 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -5.064 7.313 8.959 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -5.498 7.638 7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -4.886 6.035 7.734 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.766 7.084 9.660 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.507 5.777 8.480 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -1.424 7.189 8.495 1.00 0.00 H new ATOM 2038 N LEU A 129 -3.383 9.251 4.716 1.00 0.00 N ATOM 2039 CA LEU A 129 -4.035 10.033 3.665 1.00 0.00 C ATOM 2040 C LEU A 129 -3.918 9.327 2.309 1.00 0.00 C ATOM 2041 O LEU A 129 -4.906 9.254 1.586 1.00 0.00 O ATOM 2042 CB LEU A 129 -3.428 11.448 3.620 1.00 0.00 C ATOM 2043 CG LEU A 129 -4.121 12.407 2.635 1.00 0.00 C ATOM 2044 CD1 LEU A 129 -5.524 12.809 3.097 1.00 0.00 C ATOM 2045 CD2 LEU A 129 -3.280 13.676 2.483 1.00 0.00 C ATOM 0 H LEU A 129 -2.525 9.678 5.065 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.098 10.121 3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -3.471 11.880 4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -2.375 11.370 3.351 1.00 0.00 H new ATOM 0 HG LEU A 129 -4.215 11.879 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.968 13.486 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -6.145 11.918 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -5.459 13.310 4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -3.770 14.356 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -3.177 14.163 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -2.293 13.415 2.102 1.00 0.00 H new ATOM 2057 N VAL A 130 -2.766 8.711 2.012 1.00 0.00 N ATOM 2058 CA VAL A 130 -2.541 7.905 0.802 1.00 0.00 C ATOM 2059 C VAL A 130 -2.990 6.436 0.971 1.00 0.00 C ATOM 2060 O VAL A 130 -2.854 5.636 0.046 1.00 0.00 O ATOM 2061 CB VAL A 130 -1.086 8.090 0.315 1.00 0.00 C ATOM 2062 CG1 VAL A 130 -0.093 7.241 1.116 1.00 0.00 C ATOM 2063 CG2 VAL A 130 -0.928 7.821 -1.188 1.00 0.00 C ATOM 0 H VAL A 130 -1.947 8.759 2.618 1.00 0.00 H new ATOM 0 HA VAL A 130 -3.186 8.272 0.003 1.00 0.00 H new ATOM 0 HB VAL A 130 -0.850 9.140 0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 130 0.915 7.405 0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -0.136 7.526 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -0.351 6.187 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 130 0.113 7.965 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -1.226 6.796 -1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -1.559 8.510 -1.749 1.00 0.00 H new ATOM 2073 N ARG A 131 -3.591 6.080 2.118 1.00 0.00 N ATOM 2074 CA ARG A 131 -4.359 4.839 2.307 1.00 0.00 C ATOM 2075 C ARG A 131 -5.812 5.017 1.847 1.00 0.00 C ATOM 2076 O ARG A 131 -6.375 4.111 1.231 1.00 0.00 O ATOM 2077 CB ARG A 131 -4.279 4.424 3.786 1.00 0.00 C ATOM 2078 CG ARG A 131 -4.799 3.005 4.044 1.00 0.00 C ATOM 2079 CD ARG A 131 -4.714 2.686 5.541 1.00 0.00 C ATOM 2080 NE ARG A 131 -5.217 1.333 5.841 1.00 0.00 N ATOM 2081 CZ ARG A 131 -6.493 0.973 5.976 1.00 0.00 C ATOM 2082 NH1 ARG A 131 -7.486 1.834 5.838 1.00 0.00 N1+ ATOM 2083 NH2 ARG A 131 -6.790 -0.281 6.255 1.00 0.00 N1+ ATOM 0 H ARG A 131 -3.556 6.659 2.957 1.00 0.00 H new ATOM 0 HA ARG A 131 -3.930 4.046 1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -3.244 4.491 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -4.854 5.129 4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -5.830 2.918 3.702 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -4.212 2.284 3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -3.679 2.771 5.873 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -5.290 3.421 6.103 1.00 0.00 H new ATOM 0 HE ARG A 131 -4.518 0.599 5.957 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -7.288 2.811 5.621 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -8.451 1.522 5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -6.045 -0.969 6.366 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -7.765 -0.563 6.360 1.00 0.00 H new ATOM 2097 N THR A 132 -6.381 6.204 2.092 1.00 0.00 N ATOM 2098 CA THR A 132 -7.752 6.590 1.717 1.00 0.00 C ATOM 2099 C THR A 132 -7.828 7.317 0.361 1.00 0.00 C ATOM 2100 O THR A 132 -8.891 7.326 -0.263 1.00 0.00 O ATOM 2101 CB THR A 132 -8.400 7.427 2.837 1.00 0.00 C ATOM 2102 OG1 THR A 132 -7.606 8.545 3.177 1.00 0.00 O ATOM 2103 CG2 THR A 132 -8.625 6.611 4.114 1.00 0.00 C ATOM 0 H THR A 132 -5.883 6.952 2.575 1.00 0.00 H new ATOM 0 HA THR A 132 -8.317 5.666 1.593 1.00 0.00 H new ATOM 0 HB THR A 132 -9.360 7.754 2.438 1.00 0.00 H new ATOM 0 HG1 THR A 132 -6.854 8.255 3.735 1.00 0.00 H new ATOM 0 HG21 THR A 132 -9.083 7.244 4.874 1.00 0.00 H new ATOM 0 HG22 THR A 132 -9.283 5.770 3.897 1.00 0.00 H new ATOM 0 HG23 THR A 132 -7.669 6.238 4.481 1.00 0.00 H new ATOM 2111 N LYS A 133 -6.694 7.833 -0.140 1.00 0.00 N ATOM 2112 CA LYS A 133 -6.489 8.380 -1.489 1.00 0.00 C ATOM 2113 C LYS A 133 -5.339 7.639 -2.188 1.00 0.00 C ATOM 2114 O LYS A 133 -4.406 8.253 -2.714 1.00 0.00 O ATOM 2115 CB LYS A 133 -6.256 9.903 -1.459 1.00 0.00 C ATOM 2116 CG LYS A 133 -7.442 10.752 -0.981 1.00 0.00 C ATOM 2117 CD LYS A 133 -7.360 11.065 0.519 1.00 0.00 C ATOM 2118 CE LYS A 133 -8.419 12.072 0.970 1.00 0.00 C ATOM 2119 NZ LYS A 133 -8.224 13.401 0.342 1.00 0.00 N1+ ATOM 0 H LYS A 133 -5.844 7.882 0.422 1.00 0.00 H new ATOM 0 HA LYS A 133 -7.400 8.220 -2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -5.403 10.108 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -5.981 10.229 -2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -7.470 11.685 -1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -8.373 10.225 -1.191 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -7.478 10.141 1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -6.370 11.457 0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -9.410 11.694 0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -8.383 12.175 2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -8.124 14.124 1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -7.365 13.385 -0.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -9.046 13.628 -0.253 1.00 0.00 H new ATOM 2133 N ARG A 134 -5.401 6.302 -2.169 1.00 0.00 N ATOM 2134 CA ARG A 134 -4.390 5.401 -2.745 1.00 0.00 C ATOM 2135 C ARG A 134 -4.293 5.466 -4.278 1.00 0.00 C ATOM 2136 O ARG A 134 -3.267 5.074 -4.834 1.00 0.00 O ATOM 2137 CB ARG A 134 -4.624 3.977 -2.211 1.00 0.00 C ATOM 2138 CG ARG A 134 -5.885 3.298 -2.773 1.00 0.00 C ATOM 2139 CD ARG A 134 -6.354 2.120 -1.908 1.00 0.00 C ATOM 2140 NE ARG A 134 -5.313 1.087 -1.739 1.00 0.00 N ATOM 2141 CZ ARG A 134 -4.684 0.760 -0.609 1.00 0.00 C ATOM 2142 NH1 ARG A 134 -4.899 1.393 0.532 1.00 0.00 N1+ ATOM 2143 NH2 ARG A 134 -3.809 -0.228 -0.612 1.00 0.00 N1+ ATOM 0 H ARG A 134 -6.179 5.800 -1.740 1.00 0.00 H new ATOM 0 HA ARG A 134 -3.408 5.744 -2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -3.756 3.363 -2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -4.698 4.015 -1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.687 4.032 -2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.683 2.944 -3.784 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -6.654 2.491 -0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.237 1.670 -2.362 1.00 0.00 H new ATOM 0 HE ARG A 134 -5.046 0.568 -2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -5.567 2.163 0.570 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -4.397 1.111 1.374 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -3.617 -0.737 -1.475 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -3.325 -0.483 0.249 1.00 0.00 H new ATOM 2157 N ASP A 135 -5.297 6.057 -4.939 1.00 0.00 N ATOM 2158 CA ASP A 135 -5.265 6.445 -6.353 1.00 0.00 C ATOM 2159 C ASP A 135 -5.706 7.903 -6.591 1.00 0.00 C ATOM 2160 O ASP A 135 -5.471 8.423 -7.682 1.00 0.00 O ATOM 2161 CB ASP A 135 -6.140 5.482 -7.171 1.00 0.00 C ATOM 2162 CG ASP A 135 -5.519 4.085 -7.279 1.00 0.00 C ATOM 2163 OD1 ASP A 135 -4.669 3.888 -8.177 1.00 0.00 O ATOM 2164 OD2 ASP A 135 -5.897 3.202 -6.474 1.00 0.00 O1- ATOM 0 H ASP A 135 -6.183 6.285 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 135 -4.228 6.380 -6.681 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -7.124 5.406 -6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -6.289 5.890 -8.171 1.00 0.00 H new ATOM 2169 N TRP A 136 -6.324 8.582 -5.611 1.00 0.00 N ATOM 2170 CA TRP A 136 -6.920 9.910 -5.815 1.00 0.00 C ATOM 2171 C TRP A 136 -5.916 11.068 -5.674 1.00 0.00 C ATOM 2172 O TRP A 136 -6.039 12.056 -6.397 1.00 0.00 O ATOM 2173 CB TRP A 136 -8.142 10.074 -4.903 1.00 0.00 C ATOM 2174 CG TRP A 136 -9.042 11.225 -5.237 1.00 0.00 C ATOM 2175 CD1 TRP A 136 -9.294 12.293 -4.446 1.00 0.00 C ATOM 2176 CD2 TRP A 136 -9.846 11.429 -6.443 1.00 0.00 C ATOM 2177 NE1 TRP A 136 -10.196 13.133 -5.067 1.00 0.00 N ATOM 2178 CE2 TRP A 136 -10.578 12.646 -6.299 1.00 0.00 C ATOM 2179 CE3 TRP A 136 -10.041 10.702 -7.639 1.00 0.00 C ATOM 2180 CZ2 TRP A 136 -11.459 13.114 -7.286 1.00 0.00 C ATOM 2181 CZ3 TRP A 136 -10.921 11.165 -8.637 1.00 0.00 C ATOM 2182 CH2 TRP A 136 -11.627 12.368 -8.464 1.00 0.00 C ATOM 0 H TRP A 136 -6.424 8.227 -4.660 1.00 0.00 H new ATOM 0 HA TRP A 136 -7.248 9.966 -6.853 1.00 0.00 H new ATOM 0 HB2 TRP A 136 -8.727 9.155 -4.938 1.00 0.00 H new ATOM 0 HB3 TRP A 136 -7.795 10.192 -3.876 1.00 0.00 H new ATOM 0 HD1 TRP A 136 -8.855 12.463 -3.474 1.00 0.00 H new ATOM 0 HE1 TRP A 136 -10.538 14.006 -4.664 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.506 9.776 -7.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 136 -12.001 14.037 -7.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 136 -11.054 10.591 -9.542 1.00 0.00 H new ATOM 0 HH2 TRP A 136 -12.297 12.718 -9.235 1.00 0.00 H new ATOM 2193 N LEU A 137 -4.851 10.911 -4.874 1.00 0.00 N ATOM 2194 CA LEU A 137 -3.688 11.809 -4.915 1.00 0.00 C ATOM 2195 C LEU A 137 -2.841 11.563 -6.174 1.00 0.00 C ATOM 2196 O LEU A 137 -2.279 12.512 -6.723 1.00 0.00 O ATOM 2197 CB LEU A 137 -2.823 11.622 -3.653 1.00 0.00 C ATOM 2198 CG LEU A 137 -3.392 12.266 -2.373 1.00 0.00 C ATOM 2199 CD1 LEU A 137 -2.555 11.816 -1.169 1.00 0.00 C ATOM 2200 CD2 LEU A 137 -3.390 13.799 -2.433 1.00 0.00 C ATOM 0 H LEU A 137 -4.772 10.163 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 137 -4.057 12.834 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.690 10.555 -3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -1.834 12.039 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 137 -4.428 11.940 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -2.952 12.268 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.597 10.730 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -1.520 12.129 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -3.801 14.200 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -2.368 14.157 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -3.999 14.131 -3.274 1.00 0.00 H new ATOM 2212 N VAL A 138 -2.801 10.316 -6.662 1.00 0.00 N ATOM 2213 CA VAL A 138 -2.023 9.903 -7.838 1.00 0.00 C ATOM 2214 C VAL A 138 -2.665 10.406 -9.140 1.00 0.00 C ATOM 2215 O VAL A 138 -1.948 10.797 -10.062 1.00 0.00 O ATOM 2216 CB VAL A 138 -1.841 8.367 -7.847 1.00 0.00 C ATOM 2217 CG1 VAL A 138 -0.916 7.911 -8.985 1.00 0.00 C ATOM 2218 CG2 VAL A 138 -1.245 7.849 -6.525 1.00 0.00 C ATOM 0 H VAL A 138 -3.322 9.547 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.036 10.361 -7.775 1.00 0.00 H new ATOM 0 HB VAL A 138 -2.840 7.955 -7.988 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -0.813 6.826 -8.958 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.342 8.211 -9.942 1.00 0.00 H new ATOM 0 HG13 VAL A 138 0.064 8.371 -8.864 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -1.134 6.766 -6.575 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -0.269 8.306 -6.362 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -1.909 8.108 -5.700 1.00 0.00 H new ATOM 2228 N LYS A 139 -4.004 10.467 -9.197 1.00 0.00 N ATOM 2229 CA LYS A 139 -4.777 10.919 -10.358 1.00 0.00 C ATOM 2230 C LYS A 139 -4.891 12.444 -10.411 1.00 0.00 C ATOM 2231 O LYS A 139 -4.595 13.040 -11.449 1.00 0.00 O ATOM 2232 CB LYS A 139 -6.159 10.242 -10.325 1.00 0.00 C ATOM 2233 CG LYS A 139 -7.031 10.624 -11.531 1.00 0.00 C ATOM 2234 CD LYS A 139 -8.390 9.916 -11.464 1.00 0.00 C ATOM 2235 CE LYS A 139 -9.307 10.319 -12.626 1.00 0.00 C ATOM 2236 NZ LYS A 139 -9.737 11.733 -12.537 1.00 0.00 N1+ ATOM 0 H LYS A 139 -4.594 10.194 -8.411 1.00 0.00 H new ATOM 0 HA LYS A 139 -4.256 10.628 -11.270 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -6.029 9.160 -10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -6.674 10.520 -9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -7.179 11.704 -11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -6.520 10.354 -12.455 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -8.238 8.837 -11.480 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.877 10.155 -10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -8.786 10.159 -13.570 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -10.186 9.674 -12.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -10.770 11.775 -12.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -9.281 12.184 -11.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -9.463 12.235 -13.406 1.00 0.00 H new ATOM 2250 N GLN A 140 -5.302 13.076 -9.306 1.00 0.00 N ATOM 2251 CA GLN A 140 -5.595 14.512 -9.260 1.00 0.00 C ATOM 2252 C GLN A 140 -4.336 15.381 -9.108 1.00 0.00 C ATOM 2253 O GLN A 140 -4.414 16.592 -9.331 1.00 0.00 O ATOM 2254 CB GLN A 140 -6.570 14.814 -8.108 1.00 0.00 C ATOM 2255 CG GLN A 140 -7.908 14.057 -8.159 1.00 0.00 C ATOM 2256 CD GLN A 140 -8.763 14.443 -9.362 1.00 0.00 C ATOM 2257 OE1 GLN A 140 -8.768 13.763 -10.384 1.00 0.00 O ATOM 2258 NE2 GLN A 140 -9.484 15.552 -9.280 1.00 0.00 N ATOM 0 H GLN A 140 -5.441 12.602 -8.413 1.00 0.00 H new ATOM 0 HA GLN A 140 -6.047 14.768 -10.218 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -6.075 14.580 -7.165 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -6.778 15.884 -8.102 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -7.712 12.985 -8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -8.467 14.255 -7.244 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -9.470 16.107 -8.424 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -10.053 15.850 -10.072 1.00 0.00 H new ATOM 2267 N ARG A 141 -3.200 14.788 -8.698 1.00 0.00 N ATOM 2268 CA ARG A 141 -1.984 15.485 -8.251 1.00 0.00 C ATOM 2269 C ARG A 141 -2.346 16.533 -7.188 1.00 0.00 C ATOM 2270 O ARG A 141 -2.160 17.735 -7.382 1.00 0.00 O ATOM 2271 CB ARG A 141 -1.159 16.029 -9.439 1.00 0.00 C ATOM 2272 CG ARG A 141 -0.403 14.955 -10.242 1.00 0.00 C ATOM 2273 CD ARG A 141 -1.291 14.043 -11.099 1.00 0.00 C ATOM 2274 NE ARG A 141 -0.476 13.127 -11.916 1.00 0.00 N ATOM 2275 CZ ARG A 141 -0.930 12.248 -12.810 1.00 0.00 C ATOM 2276 NH1 ARG A 141 -2.216 12.123 -13.084 1.00 0.00 N1+ ATOM 2277 NH2 ARG A 141 -0.077 11.473 -13.453 1.00 0.00 N1+ ATOM 0 H ARG A 141 -3.102 13.773 -8.668 1.00 0.00 H new ATOM 0 HA ARG A 141 -1.314 14.774 -7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -1.828 16.564 -10.113 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -0.439 16.755 -9.062 1.00 0.00 H new ATOM 0 HG2 ARG A 141 0.319 15.449 -10.892 1.00 0.00 H new ATOM 0 HG3 ARG A 141 0.165 14.336 -9.548 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -1.956 13.467 -10.455 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.923 14.650 -11.748 1.00 0.00 H new ATOM 0 HE ARG A 141 0.535 13.169 -11.785 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -2.899 12.710 -12.605 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -2.526 11.439 -13.774 1.00 0.00 H new ATOM 0 HH21 ARG A 141 0.923 11.549 -13.265 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -0.417 10.798 -14.138 1.00 0.00 H new ATOM 2291 N GLY A 142 -2.979 16.064 -6.104 1.00 0.00 N ATOM 2292 CA GLY A 142 -3.654 16.895 -5.104 1.00 0.00 C ATOM 2293 C GLY A 142 -2.744 17.810 -4.276 1.00 0.00 C ATOM 2294 O GLY A 142 -3.245 18.725 -3.622 1.00 0.00 O ATOM 0 H GLY A 142 -3.036 15.067 -5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -4.394 17.513 -5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -4.198 16.241 -4.422 1.00 0.00 H new ATOM 2298 N TRP A 143 -1.421 17.625 -4.351 1.00 0.00 N ATOM 2299 CA TRP A 143 -0.424 18.497 -3.727 1.00 0.00 C ATOM 2300 C TRP A 143 -0.126 19.750 -4.563 1.00 0.00 C ATOM 2301 O TRP A 143 0.132 20.811 -3.994 1.00 0.00 O ATOM 2302 CB TRP A 143 0.846 17.683 -3.475 1.00 0.00 C ATOM 2303 CG TRP A 143 0.627 16.466 -2.632 1.00 0.00 C ATOM 2304 CD1 TRP A 143 0.717 15.189 -3.061 1.00 0.00 C ATOM 2305 CD2 TRP A 143 0.240 16.388 -1.224 1.00 0.00 C ATOM 2306 NE1 TRP A 143 0.406 14.332 -2.029 1.00 0.00 N ATOM 2307 CE2 TRP A 143 0.121 15.012 -0.866 1.00 0.00 C ATOM 2308 CE3 TRP A 143 -0.018 17.338 -0.209 1.00 0.00 C ATOM 2309 CZ2 TRP A 143 -0.214 14.597 0.430 1.00 0.00 C ATOM 2310 CZ3 TRP A 143 -0.352 16.934 1.097 1.00 0.00 C ATOM 2311 CH2 TRP A 143 -0.448 15.568 1.418 1.00 0.00 C ATOM 0 H TRP A 143 -1.006 16.845 -4.860 1.00 0.00 H new ATOM 0 HA TRP A 143 -0.827 18.862 -2.782 1.00 0.00 H new ATOM 0 HB2 TRP A 143 1.267 17.379 -4.433 1.00 0.00 H new ATOM 0 HB3 TRP A 143 1.585 18.321 -2.990 1.00 0.00 H new ATOM 0 HD1 TRP A 143 0.991 14.886 -4.061 1.00 0.00 H new ATOM 0 HE1 TRP A 143 0.389 13.316 -2.116 1.00 0.00 H new ATOM 0 HE3 TRP A 143 0.042 18.391 -0.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 -0.291 13.546 0.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 -0.536 17.678 1.858 1.00 0.00 H new ATOM 0 HH2 TRP A 143 -0.701 15.266 2.423 1.00 0.00 H new ATOM 2322 N ASP A 144 -0.258 19.665 -5.894 1.00 0.00 N ATOM 2323 CA ASP A 144 -0.318 20.834 -6.775 1.00 0.00 C ATOM 2324 C ASP A 144 -1.711 21.475 -6.729 1.00 0.00 C ATOM 2325 O ASP A 144 -1.811 22.700 -6.737 1.00 0.00 O ATOM 2326 CB ASP A 144 0.035 20.445 -8.217 1.00 0.00 C ATOM 2327 CG ASP A 144 1.486 19.980 -8.350 1.00 0.00 C ATOM 2328 OD1 ASP A 144 2.387 20.851 -8.388 1.00 0.00 O ATOM 2329 OD2 ASP A 144 1.708 18.749 -8.422 1.00 0.00 O1- ATOM 0 H ASP A 144 -0.326 18.777 -6.390 1.00 0.00 H new ATOM 0 HA ASP A 144 0.413 21.561 -6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -0.632 19.650 -8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -0.133 21.299 -8.874 1.00 0.00 H new ATOM 2334 N GLY A 145 -2.773 20.669 -6.579 1.00 0.00 N ATOM 2335 CA GLY A 145 -4.149 21.145 -6.431 1.00 0.00 C ATOM 2336 C GLY A 145 -4.374 21.962 -5.151 1.00 0.00 C ATOM 2337 O GLY A 145 -5.153 22.915 -5.168 1.00 0.00 O ATOM 0 H GLY A 145 -2.694 19.652 -6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -4.409 21.757 -7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -4.824 20.289 -6.431 1.00 0.00 H new ATOM 2341 N PHE A 146 -3.624 21.668 -4.083 1.00 0.00 N ATOM 2342 CA PHE A 146 -3.586 22.446 -2.843 1.00 0.00 C ATOM 2343 C PHE A 146 -2.969 23.838 -3.066 1.00 0.00 C ATOM 2344 O PHE A 146 -3.522 24.838 -2.601 1.00 0.00 O ATOM 2345 CB PHE A 146 -2.796 21.646 -1.792 1.00 0.00 C ATOM 2346 CG PHE A 146 -2.296 22.475 -0.624 1.00 0.00 C ATOM 2347 CD1 PHE A 146 -0.925 22.784 -0.516 1.00 0.00 C ATOM 2348 CD2 PHE A 146 -3.206 22.999 0.313 1.00 0.00 C ATOM 2349 CE1 PHE A 146 -0.469 23.625 0.514 1.00 0.00 C ATOM 2350 CE2 PHE A 146 -2.747 23.842 1.341 1.00 0.00 C ATOM 2351 CZ PHE A 146 -1.382 24.160 1.437 1.00 0.00 C ATOM 0 H PHE A 146 -3.008 20.856 -4.059 1.00 0.00 H new ATOM 0 HA PHE A 146 -4.603 22.614 -2.489 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -3.430 20.846 -1.410 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -1.943 21.173 -2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -0.223 22.373 -1.227 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -4.256 22.754 0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 146 0.582 23.859 0.595 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -3.446 24.246 2.059 1.00 0.00 H new ATOM 0 HZ PHE A 146 -1.035 24.816 2.221 1.00 0.00 H new ATOM 2361 N VAL A 147 -1.870 23.913 -3.829 1.00 0.00 N ATOM 2362 CA VAL A 147 -1.191 25.170 -4.172 1.00 0.00 C ATOM 2363 C VAL A 147 -2.043 26.011 -5.133 1.00 0.00 C ATOM 2364 O VAL A 147 -2.075 27.232 -5.000 1.00 0.00 O ATOM 2365 CB VAL A 147 0.210 24.871 -4.753 1.00 0.00 C ATOM 2366 CG1 VAL A 147 0.915 26.129 -5.282 1.00 0.00 C ATOM 2367 CG2 VAL A 147 1.119 24.239 -3.688 1.00 0.00 C ATOM 0 H VAL A 147 -1.421 23.090 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 147 -1.060 25.761 -3.266 1.00 0.00 H new ATOM 0 HB VAL A 147 0.045 24.183 -5.582 1.00 0.00 H new ATOM 0 HG11 VAL A 147 1.894 25.858 -5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 147 0.315 26.577 -6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 147 1.037 26.846 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 147 2.099 24.037 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 147 1.227 24.925 -2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 147 0.677 23.305 -3.340 1.00 0.00 H new ATOM 2377 N GLU A 148 -2.793 25.381 -6.043 1.00 0.00 N ATOM 2378 CA GLU A 148 -3.670 26.056 -7.007 1.00 0.00 C ATOM 2379 C GLU A 148 -4.977 26.570 -6.373 1.00 0.00 C ATOM 2380 O GLU A 148 -5.567 27.522 -6.889 1.00 0.00 O ATOM 2381 CB GLU A 148 -3.976 25.095 -8.167 1.00 0.00 C ATOM 2382 CG GLU A 148 -2.764 24.884 -9.085 1.00 0.00 C ATOM 2383 CD GLU A 148 -3.043 23.780 -10.114 1.00 0.00 C ATOM 2384 OE1 GLU A 148 -3.527 24.112 -11.221 1.00 0.00 O ATOM 2385 OE2 GLU A 148 -2.778 22.594 -9.806 1.00 0.00 O1- ATOM 0 H GLU A 148 -2.808 24.365 -6.132 1.00 0.00 H new ATOM 0 HA GLU A 148 -3.143 26.937 -7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -4.296 24.134 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -4.808 25.488 -8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -2.526 25.815 -9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -1.892 24.618 -8.488 1.00 0.00 H new ATOM 2392 N PHE A 149 -5.404 25.994 -5.241 1.00 0.00 N ATOM 2393 CA PHE A 149 -6.613 26.397 -4.515 1.00 0.00 C ATOM 2394 C PHE A 149 -6.392 27.617 -3.597 1.00 0.00 C ATOM 2395 O PHE A 149 -7.369 28.243 -3.178 1.00 0.00 O ATOM 2396 CB PHE A 149 -7.158 25.180 -3.747 1.00 0.00 C ATOM 2397 CG PHE A 149 -8.495 25.408 -3.064 1.00 0.00 C ATOM 2398 CD1 PHE A 149 -8.580 25.426 -1.659 1.00 0.00 C ATOM 2399 CD2 PHE A 149 -9.655 25.622 -3.833 1.00 0.00 C ATOM 2400 CE1 PHE A 149 -9.812 25.669 -1.026 1.00 0.00 C ATOM 2401 CE2 PHE A 149 -10.887 25.870 -3.201 1.00 0.00 C ATOM 2402 CZ PHE A 149 -10.965 25.898 -1.797 1.00 0.00 C ATOM 0 H PHE A 149 -4.909 25.221 -4.797 1.00 0.00 H new ATOM 0 HA PHE A 149 -7.356 26.730 -5.240 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -7.257 24.345 -4.440 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -6.427 24.885 -2.995 1.00 0.00 H new ATOM 0 HD1 PHE A 149 -7.695 25.252 -1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 149 -9.599 25.596 -4.911 1.00 0.00 H new ATOM 0 HE1 PHE A 149 -9.872 25.680 0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 149 -11.774 26.039 -3.794 1.00 0.00 H new ATOM 0 HZ PHE A 149 -11.910 26.095 -1.312 1.00 0.00 H new ATOM 2412 N PHE A 150 -5.133 27.998 -3.326 1.00 0.00 N ATOM 2413 CA PHE A 150 -4.776 29.124 -2.456 1.00 0.00 C ATOM 2414 C PHE A 150 -3.778 30.084 -3.124 1.00 0.00 C ATOM 2415 O PHE A 150 -4.147 31.212 -3.457 1.00 0.00 O ATOM 2416 CB PHE A 150 -4.246 28.594 -1.114 1.00 0.00 C ATOM 2417 CG PHE A 150 -5.249 27.820 -0.273 1.00 0.00 C ATOM 2418 CD1 PHE A 150 -6.410 28.458 0.206 1.00 0.00 C ATOM 2419 CD2 PHE A 150 -4.986 26.487 0.098 1.00 0.00 C ATOM 2420 CE1 PHE A 150 -7.302 27.767 1.045 1.00 0.00 C ATOM 2421 CE2 PHE A 150 -5.877 25.797 0.940 1.00 0.00 C ATOM 2422 CZ PHE A 150 -7.033 26.439 1.417 1.00 0.00 C ATOM 0 H PHE A 150 -4.320 27.520 -3.715 1.00 0.00 H new ATOM 0 HA PHE A 150 -5.677 29.709 -2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 150 -3.389 27.949 -1.311 1.00 0.00 H new ATOM 0 HB3 PHE A 150 -3.882 29.438 -0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 150 -6.616 29.481 -0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 150 -4.097 25.993 -0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 150 -8.195 28.257 1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 150 -5.673 24.774 1.220 1.00 0.00 H new ATOM 0 HZ PHE A 150 -7.714 25.912 2.069 1.00 0.00 H new ATOM 2432 N HIS A 151 -2.525 29.643 -3.317 1.00 0.00 N ATOM 2433 CA HIS A 151 -1.401 30.416 -3.871 1.00 0.00 C ATOM 2434 C HIS A 151 -1.110 31.748 -3.142 1.00 0.00 C ATOM 2435 O HIS A 151 -0.551 32.675 -3.731 1.00 0.00 O ATOM 2436 CB HIS A 151 -1.572 30.564 -5.397 1.00 0.00 C ATOM 2437 CG HIS A 151 -0.267 30.715 -6.140 1.00 0.00 C ATOM 2438 ND1 HIS A 151 0.620 29.694 -6.428 1.00 0.00 N1+ ATOM 2439 CD2 HIS A 151 0.250 31.873 -6.653 1.00 0.00 C ATOM 2440 CE1 HIS A 151 1.657 30.222 -7.104 1.00 0.00 C ATOM 2441 NE2 HIS A 151 1.454 31.547 -7.250 1.00 0.00 N ATOM 0 H HIS A 151 -2.254 28.689 -3.079 1.00 0.00 H new ATOM 0 HA HIS A 151 -0.493 29.843 -3.684 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -2.100 29.691 -5.781 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -2.199 31.432 -5.601 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -0.197 32.855 -6.602 1.00 0.00 H new ATOM 0 HE1 HIS A 151 2.512 29.674 -7.470 1.00 0.00 H new ATOM 0 HE2 HIS A 151 2.082 32.198 -7.721 1.00 0.00 H new ATOM 2450 N VAL A 152 -1.508 31.862 -1.866 1.00 0.00 N ATOM 2451 CA VAL A 152 -1.491 33.121 -1.098 1.00 0.00 C ATOM 2452 C VAL A 152 -0.086 33.581 -0.686 1.00 0.00 C ATOM 2453 O VAL A 152 0.105 34.764 -0.400 1.00 0.00 O ATOM 2454 CB VAL A 152 -2.401 33.022 0.146 1.00 0.00 C ATOM 2455 CG1 VAL A 152 -3.877 32.884 -0.247 1.00 0.00 C ATOM 2456 CG2 VAL A 152 -2.019 31.862 1.076 1.00 0.00 C ATOM 0 H VAL A 152 -1.857 31.069 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 152 -1.878 33.880 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 152 -2.253 33.955 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 152 -4.488 32.817 0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 152 -4.182 33.754 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 152 -4.012 31.983 -0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 152 -2.694 31.844 1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 152 -2.096 30.920 0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 152 -0.995 31.997 1.424 1.00 0.00 H new ATOM 2466 N GLU A 153 0.891 32.667 -0.664 1.00 0.00 N ATOM 2467 CA GLU A 153 2.280 32.929 -0.269 1.00 0.00 C ATOM 2468 C GLU A 153 3.311 32.254 -1.194 1.00 0.00 C ATOM 2469 O GLU A 153 4.510 32.477 -1.024 1.00 0.00 O ATOM 2470 CB GLU A 153 2.481 32.486 1.191 1.00 0.00 C ATOM 2471 CG GLU A 153 1.849 33.412 2.239 1.00 0.00 C ATOM 2472 CD GLU A 153 2.388 34.852 2.207 1.00 0.00 C ATOM 2473 OE1 GLU A 153 3.602 35.040 1.956 1.00 0.00 O ATOM 2474 OE2 GLU A 153 1.589 35.783 2.463 1.00 0.00 O1- ATOM 0 H GLU A 153 0.732 31.695 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 153 2.454 34.001 -0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 153 2.065 31.486 1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 153 3.550 32.413 1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 153 0.770 33.435 2.085 1.00 0.00 H new ATOM 0 HG3 GLU A 153 2.021 32.993 3.230 1.00 0.00 H new ATOM 2481 N ASP A 154 2.877 31.493 -2.210 1.00 0.00 N ATOM 2482 CA ASP A 154 3.745 30.872 -3.219 1.00 0.00 C ATOM 2483 C ASP A 154 4.016 31.809 -4.416 1.00 0.00 C ATOM 2484 O ASP A 154 4.135 31.369 -5.560 1.00 0.00 O ATOM 2485 CB ASP A 154 3.191 29.488 -3.601 1.00 0.00 C ATOM 2486 CG ASP A 154 4.138 28.695 -4.514 1.00 0.00 C ATOM 2487 OD1 ASP A 154 3.658 28.132 -5.526 1.00 0.00 O ATOM 2488 OD2 ASP A 154 5.355 28.654 -4.217 1.00 0.00 O1- ATOM 0 H ASP A 154 1.888 31.288 -2.355 1.00 0.00 H new ATOM 0 HA ASP A 154 4.733 30.706 -2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 154 3.005 28.914 -2.693 1.00 0.00 H new ATOM 0 HB3 ASP A 154 2.231 29.612 -4.102 1.00 0.00 H new ATOM 2493 N LEU A 155 4.134 33.117 -4.155 1.00 0.00 N ATOM 2494 CA LEU A 155 4.479 34.128 -5.158 1.00 0.00 C ATOM 2495 C LEU A 155 5.955 34.029 -5.593 1.00 0.00 C ATOM 2496 O LEU A 155 6.298 34.482 -6.686 1.00 0.00 O ATOM 2497 CB LEU A 155 4.153 35.540 -4.627 1.00 0.00 C ATOM 2498 CG LEU A 155 2.666 35.909 -4.411 1.00 0.00 C ATOM 2499 CD1 LEU A 155 1.794 35.607 -5.636 1.00 0.00 C ATOM 2500 CD2 LEU A 155 2.036 35.254 -3.177 1.00 0.00 C ATOM 0 H LEU A 155 3.989 33.508 -3.224 1.00 0.00 H new ATOM 0 HA LEU A 155 3.873 33.937 -6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 155 4.670 35.667 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 155 4.580 36.264 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 155 2.689 36.986 -4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 155 0.762 35.886 -5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 155 2.157 36.178 -6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 155 1.843 34.542 -5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 155 0.994 35.561 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 155 2.088 34.170 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 155 2.578 35.564 -2.284 1.00 0.00 H new ATOM 2512 N GLU A 156 6.806 33.361 -4.801 1.00 0.00 N ATOM 2513 CA GLU A 156 8.174 32.985 -5.179 1.00 0.00 C ATOM 2514 C GLU A 156 8.209 31.778 -6.139 1.00 0.00 C ATOM 2515 O GLU A 156 9.222 31.549 -6.803 1.00 0.00 O ATOM 2516 CB GLU A 156 8.991 32.665 -3.914 1.00 0.00 C ATOM 2517 CG GLU A 156 9.090 33.827 -2.913 1.00 0.00 C ATOM 2518 CD GLU A 156 9.731 35.074 -3.537 1.00 0.00 C ATOM 2519 OE1 GLU A 156 10.967 35.062 -3.749 1.00 0.00 O ATOM 2520 OE2 GLU A 156 8.993 36.050 -3.812 1.00 0.00 O1- ATOM 0 H GLU A 156 6.556 33.061 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 156 8.611 33.833 -5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 156 8.542 31.807 -3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 156 9.997 32.370 -4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 156 8.094 34.076 -2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 156 9.676 33.512 -2.050 1.00 0.00 H new ATOM 2527 N GLY A 157 7.109 31.018 -6.231 1.00 0.00 N ATOM 2528 CA GLY A 157 6.927 29.898 -7.155 1.00 0.00 C ATOM 2529 C GLY A 157 7.643 28.598 -6.767 1.00 0.00 C ATOM 2530 O GLY A 157 7.559 27.635 -7.529 1.00 0.00 O ATOM 0 H GLY A 157 6.293 31.175 -5.640 1.00 0.00 H new ATOM 0 HA2 GLY A 157 5.860 29.692 -7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 157 7.275 30.203 -8.142 1.00 0.00 H new ATOM 2534 N GLY A 158 8.345 28.544 -5.627 1.00 0.00 N ATOM 2535 CA GLY A 158 9.048 27.352 -5.148 1.00 0.00 C ATOM 2536 C GLY A 158 10.138 26.868 -6.116 1.00 0.00 C ATOM 2537 O GLY A 158 10.928 27.676 -6.609 1.00 0.00 O ATOM 0 H GLY A 158 8.440 29.344 -5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 158 9.500 27.568 -4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 158 8.327 26.550 -4.992 1.00 0.00 H new ATOM 2541 N HIS A 159 10.147 25.553 -6.389 1.00 0.00 N ATOM 2542 CA HIS A 159 11.005 24.837 -7.349 1.00 0.00 C ATOM 2543 C HIS A 159 12.521 25.135 -7.240 1.00 0.00 C ATOM 2544 O HIS A 159 12.988 25.661 -6.226 1.00 0.00 O ATOM 2545 CB HIS A 159 10.415 24.962 -8.773 1.00 0.00 C ATOM 2546 CG HIS A 159 10.625 26.286 -9.476 1.00 0.00 C ATOM 2547 ND1 HIS A 159 9.776 27.368 -9.445 1.00 0.00 N ATOM 2548 CD2 HIS A 159 11.656 26.617 -10.316 1.00 0.00 C ATOM 2549 CE1 HIS A 159 10.299 28.335 -10.216 1.00 0.00 C ATOM 2550 NE2 HIS A 159 11.449 27.922 -10.776 1.00 0.00 N ATOM 0 H HIS A 159 9.510 24.916 -5.911 1.00 0.00 H new ATOM 0 HA HIS A 159 10.984 23.783 -7.073 1.00 0.00 H new ATOM 0 HB2 HIS A 159 10.846 24.175 -9.392 1.00 0.00 H new ATOM 0 HB3 HIS A 159 9.343 24.772 -8.716 1.00 0.00 H new ATOM 0 HD1 HIS A 159 8.900 27.426 -8.926 1.00 0.00 H new ATOM 0 HD2 HIS A 159 12.487 25.979 -10.578 1.00 0.00 H new ATOM 0 HE1 HIS A 159 9.857 29.309 -10.365 1.00 0.00 H new ATOM 2558 N HIS A 160 13.288 24.734 -8.269 1.00 0.00 N ATOM 2559 CA HIS A 160 14.750 24.833 -8.394 1.00 0.00 C ATOM 2560 C HIS A 160 15.491 24.043 -7.305 1.00 0.00 C ATOM 2561 O HIS A 160 15.814 24.575 -6.240 1.00 0.00 O ATOM 2562 CB HIS A 160 15.187 26.305 -8.509 1.00 0.00 C ATOM 2563 CG HIS A 160 16.672 26.496 -8.708 1.00 0.00 C ATOM 2564 ND1 HIS A 160 17.543 25.583 -9.313 1.00 0.00 N ATOM 2565 CD2 HIS A 160 17.382 27.598 -8.326 1.00 0.00 C ATOM 2566 CE1 HIS A 160 18.756 26.157 -9.272 1.00 0.00 C ATOM 2567 NE2 HIS A 160 18.689 27.368 -8.691 1.00 0.00 N ATOM 0 H HIS A 160 12.871 24.301 -9.093 1.00 0.00 H new ATOM 0 HA HIS A 160 15.045 24.349 -9.325 1.00 0.00 H new ATOM 0 HB2 HIS A 160 14.658 26.765 -9.343 1.00 0.00 H new ATOM 0 HB3 HIS A 160 14.882 26.835 -7.607 1.00 0.00 H new ATOM 0 HD2 HIS A 160 16.994 28.478 -7.834 1.00 0.00 H new ATOM 0 HE1 HIS A 160 19.661 25.708 -9.653 1.00 0.00 H new ATOM 0 HE2 HIS A 160 19.472 28.006 -8.546 1.00 0.00 H new ATOM 2575 N HIS A 161 15.725 22.751 -7.576 1.00 0.00 N ATOM 2576 CA HIS A 161 16.273 21.785 -6.622 1.00 0.00 C ATOM 2577 C HIS A 161 17.688 22.129 -6.140 1.00 0.00 C ATOM 2578 O HIS A 161 18.537 22.599 -6.902 1.00 0.00 O ATOM 2579 CB HIS A 161 16.227 20.362 -7.204 1.00 0.00 C ATOM 2580 CG HIS A 161 14.891 19.679 -7.034 1.00 0.00 C ATOM 2581 ND1 HIS A 161 14.608 18.669 -6.141 1.00 0.00 N ATOM 2582 CD2 HIS A 161 13.733 19.951 -7.713 1.00 0.00 C ATOM 2583 CE1 HIS A 161 13.314 18.341 -6.283 1.00 0.00 C ATOM 2584 NE2 HIS A 161 12.733 19.095 -7.232 1.00 0.00 N ATOM 0 H HIS A 161 15.532 22.341 -8.490 1.00 0.00 H new ATOM 0 HA HIS A 161 15.634 21.836 -5.740 1.00 0.00 H new ATOM 0 HB2 HIS A 161 16.470 20.405 -8.266 1.00 0.00 H new ATOM 0 HB3 HIS A 161 16.997 19.758 -6.725 1.00 0.00 H new ATOM 0 HD2 HIS A 161 13.612 20.696 -8.485 1.00 0.00 H new ATOM 0 HE1 HIS A 161 12.809 17.576 -5.713 1.00 0.00 H new ATOM 0 HE2 HIS A 161 11.761 19.053 -7.540 1.00 0.00 H new ATOM 2592 N HIS A 162 17.935 21.789 -4.870 1.00 0.00 N ATOM 2593 CA HIS A 162 19.220 21.861 -4.174 1.00 0.00 C ATOM 2594 C HIS A 162 19.349 20.657 -3.232 1.00 0.00 C ATOM 2595 O HIS A 162 18.337 20.138 -2.753 1.00 0.00 O ATOM 2596 CB HIS A 162 19.313 23.172 -3.379 1.00 0.00 C ATOM 2597 CG HIS A 162 19.286 24.414 -4.232 1.00 0.00 C ATOM 2598 ND1 HIS A 162 20.327 24.856 -5.053 1.00 0.00 N ATOM 2599 CD2 HIS A 162 18.233 25.274 -4.345 1.00 0.00 C ATOM 2600 CE1 HIS A 162 19.867 25.967 -5.651 1.00 0.00 C ATOM 2601 NE2 HIS A 162 18.615 26.241 -5.246 1.00 0.00 N ATOM 0 H HIS A 162 17.195 21.434 -4.265 1.00 0.00 H new ATOM 0 HA HIS A 162 20.032 21.839 -4.900 1.00 0.00 H new ATOM 0 HB2 HIS A 162 18.486 23.213 -2.670 1.00 0.00 H new ATOM 0 HB3 HIS A 162 20.233 23.165 -2.795 1.00 0.00 H new ATOM 0 HD2 HIS A 162 17.286 25.209 -3.829 1.00 0.00 H new ATOM 0 HE1 HIS A 162 20.426 26.559 -6.360 1.00 0.00 H new ATOM 0 HE2 HIS A 162 18.046 27.030 -5.554 1.00 0.00 H new ATOM 2609 N HIS A 163 20.591 20.246 -2.938 1.00 0.00 N ATOM 2610 CA HIS A 163 20.940 19.059 -2.145 1.00 0.00 C ATOM 2611 C HIS A 163 20.335 17.758 -2.709 1.00 0.00 C ATOM 2612 O HIS A 163 20.955 17.124 -3.567 1.00 0.00 O ATOM 2613 CB HIS A 163 20.678 19.307 -0.649 1.00 0.00 C ATOM 2614 CG HIS A 163 20.984 18.117 0.227 1.00 0.00 C ATOM 2615 ND1 HIS A 163 22.212 17.455 0.292 1.00 0.00 N ATOM 2616 CD2 HIS A 163 20.096 17.495 1.056 1.00 0.00 C ATOM 2617 CE1 HIS A 163 22.033 16.448 1.163 1.00 0.00 C ATOM 2618 NE2 HIS A 163 20.775 16.448 1.637 1.00 0.00 N ATOM 0 H HIS A 163 21.415 20.754 -3.260 1.00 0.00 H new ATOM 0 HA HIS A 163 22.013 18.891 -2.234 1.00 0.00 H new ATOM 0 HB2 HIS A 163 21.280 20.154 -0.319 1.00 0.00 H new ATOM 0 HB3 HIS A 163 19.633 19.587 -0.514 1.00 0.00 H new ATOM 0 HD2 HIS A 163 19.065 17.770 1.223 1.00 0.00 H new ATOM 0 HE1 HIS A 163 22.795 15.736 1.444 1.00 0.00 H new ATOM 0 HE2 HIS A 163 20.390 15.786 2.311 1.00 0.00 H new ATOM 2626 N HIS A 164 19.134 17.376 -2.258 1.00 0.00 N ATOM 2627 CA HIS A 164 18.363 16.233 -2.749 1.00 0.00 C ATOM 2628 C HIS A 164 16.863 16.549 -2.696 1.00 0.00 C ATOM 2629 O HIS A 164 16.226 16.511 -3.773 1.00 0.00 O ATOM 2630 CB HIS A 164 18.707 14.980 -1.927 1.00 0.00 C ATOM 2631 CG HIS A 164 17.948 13.752 -2.368 1.00 0.00 C ATOM 2632 ND1 HIS A 164 17.899 13.239 -3.652 1.00 0.00 N1+ ATOM 2633 CD2 HIS A 164 17.191 12.939 -1.568 1.00 0.00 C ATOM 2634 CE1 HIS A 164 17.129 12.133 -3.632 1.00 0.00 C ATOM 2635 NE2 HIS A 164 16.685 11.935 -2.374 1.00 0.00 N ATOM 2636 OXT HIS A 164 16.354 16.822 -1.584 1.00 0.00 O1- ATOM 0 H HIS A 164 18.655 17.877 -1.510 1.00 0.00 H new ATOM 0 HA HIS A 164 18.624 16.035 -3.789 1.00 0.00 H new ATOM 0 HB2 HIS A 164 19.777 14.785 -2.004 1.00 0.00 H new ATOM 0 HB3 HIS A 164 18.493 15.173 -0.876 1.00 0.00 H new ATOM 0 HD2 HIS A 164 17.021 13.059 -0.508 1.00 0.00 H new ATOM 0 HE1 HIS A 164 16.904 11.508 -4.484 1.00 0.00 H new ATOM 0 HE2 HIS A 164 16.079 11.174 -2.069 1.00 0.00 H new TER 2645 HIS A 164 HETATM 2646 N1 N8J A 201 -11.794 16.294 13.318 1.00 0.00 N HETATM 2647 C4 N8J A 201 -11.054 16.763 12.187 1.00 0.00 C HETATM 2648 C5 N8J A 201 -11.679 17.387 11.106 1.00 0.00 C HETATM 2649 C6 N8J A 201 -10.917 17.915 10.053 1.00 0.00 C HETATM 2650 C7 N8J A 201 -11.598 18.598 8.959 1.00 0.00 C HETATM 2651 C8 N8J A 201 -9.517 17.812 10.088 1.00 0.00 C HETATM 2652 C10 N8J A 201 -9.654 16.602 12.159 1.00 0.00 C HETATM 2653 C15 N8J A 201 -14.463 18.923 14.303 1.00 0.00 C HETATM 2654 C17 N8J A 201 -12.673 18.616 15.486 1.00 0.00 C HETATM 2655 C21 N8J A 201 -7.016 14.238 16.422 1.00 0.00 C HETATM 2656 C22 N8J A 201 -7.729 14.789 15.360 1.00 0.00 C HETATM 2657 C24 N8J A 201 -9.607 13.375 15.893 1.00 0.00 C HETATM 2658 CL20 N8J A 201 -6.738 12.636 18.580 1.00 0.00 CL HETATM 2659 CL25 N8J A 201 -11.176 12.704 15.558 1.00 0.00 CL HETATM 2660 C2 N8J A 201 -13.151 16.811 13.644 1.00 0.00 C HETATM 2661 O3 N8J A 201 -9.013 15.851 13.123 1.00 0.00 O HETATM 2662 C9 N8J A 201 -8.888 17.168 11.150 1.00 0.00 C HETATM 2663 C11 N8J A 201 -9.853 14.974 13.934 1.00 0.00 C HETATM 2664 C12 N8J A 201 -10.988 15.865 14.488 1.00 0.00 C HETATM 2665 O13 N8J A 201 -11.711 18.110 7.840 1.00 0.00 O HETATM 2666 C14 N8J A 201 -13.059 18.320 14.004 1.00 0.00 C HETATM 2667 C16 N8J A 201 -14.192 18.669 15.814 1.00 0.00 C HETATM 2668 C18 N8J A 201 -8.911 12.867 16.988 1.00 0.00 C HETATM 2669 C19 N8J A 201 -7.614 13.289 17.242 1.00 0.00 C HETATM 2670 C23 N8J A 201 -9.040 14.377 15.085 1.00 0.00 C HETATM 2671 S26 N8J A 201 -11.987 20.891 10.387 1.00 0.00 S2+ HETATM 2672 O27 N8J A 201 -11.120 20.320 11.353 1.00 0.00 O1- HETATM 2673 O28 N8J A 201 -11.542 22.123 9.832 1.00 0.00 O1- HETATM 2674 N29 N8J A 201 -12.210 19.809 9.128 1.00 0.00 N HETATM 2675 C30 N8J A 201 -13.606 21.115 11.125 1.00 0.00 C HETATM 2676 C31 N8J A 201 -13.733 22.083 12.302 1.00 0.00 C HETATM 2677 C32 N8J A 201 -14.828 22.946 12.364 1.00 0.00 C HETATM 2678 C33 N8J A 201 -14.991 23.807 13.445 1.00 0.00 C HETATM 2679 C34 N8J A 201 -14.063 23.810 14.480 1.00 0.00 C HETATM 2680 C35 N8J A 201 -12.967 22.955 14.428 1.00 0.00 C HETATM 2681 C36 N8J A 201 -12.801 22.099 13.344 1.00 0.00 C CONECT 2646 2647 2660 2664 CONECT 2647 2646 2648 2652 CONECT 2648 2647 2649 2682 CONECT 2649 2648 2650 2651 CONECT 2650 2649 2665 2674 CONECT 2651 2649 2662 2683 CONECT 2652 2647 2661 2662 CONECT 2653 2666 2667 2684 2685 CONECT 2654 2666 2667 2686 2687 CONECT 2655 2656 2669 2688 CONECT 2656 2655 2670 2689 CONECT 2657 2659 2668 2670 CONECT 2658 2669 CONECT 2659 2657 CONECT 2660 2646 2666 2690 2691 CONECT 2661 2652 2663 CONECT 2662 2651 2652 2692 CONECT 2663 2661 2664 2670 2693 CONECT 2664 2646 2663 2694 2695 CONECT 2665 2650 CONECT 2666 2653 2654 2660 2696 CONECT 2667 2653 2654 2697 2698 CONECT 2668 2657 2669 2699 CONECT 2669 2655 2658 2668 CONECT 2670 2656 2657 2663 CONECT 2671 2672 2673 2674 2675 CONECT 2672 2671 CONECT 2673 2671 CONECT 2674 2650 2671 CONECT 2675 2671 2676 2700 2701 CONECT 2676 2675 2677 2681 CONECT 2677 2676 2678 2702 CONECT 2678 2677 2679 2703 CONECT 2679 2678 2680 2704 CONECT 2680 2679 2681 2705 CONECT 2681 2676 2680 2706 CONECT 2682 2648 CONECT 2683 2651 CONECT 2684 2653 CONECT 2685 2653 CONECT 2686 2654 CONECT 2687 2654 CONECT 2688 2655 CONECT 2689 2656 CONECT 2690 2660 CONECT 2691 2660 CONECT 2692 2662 CONECT 2693 2663 CONECT 2694 2664 CONECT 2695 2664 CONECT 2696 2666 CONECT 2697 2667 CONECT 2698 2667 CONECT 2699 2668 CONECT 2700 2675 CONECT 2701 2675 CONECT 2702 2677 CONECT 2703 2678 CONECT 2704 2679 CONECT 2705 2680 CONECT 2706 2681 END