USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 826 hydrogens (17 hets) HEADER MEMBRANE PROTEIN 05-AUG-11 2LH8 TITLE SYRIAN HAMSTER PRION PROTEIN WITH THIAMINE COMPND MOL_ID: 1; COMPND 2 MOLECULE: MAJOR PRION PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 125-228; COMPND 5 SYNONYM: PRP, PRP27-30, PRP33-35C; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MESOCRICETUS AURATUS; SOURCE 3 ORGANISM_COMMON: SYRIAN GOLDEN HAMSTER; SOURCE 4 ORGANISM_TAXID: 10036; SOURCE 5 GENE: PRNP, PRP; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: B12(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET15B KEYWDS PRION, THIAMINE, MEMBRANE PROTEIN EXPDTA SOLUTION NMR AUTHOR R.PEREZ-PINEIRO,T.C.BJORNDAHL,M.BERJANSKII,D.HAU,L.LI,A.HUANG,R.LEE, AUTHOR 2 E.GIBBS,C.LADNER,Y.WEI DONG,A.ABERA,N.R.CASHMAN,D.WISHART REVDAT 2 30-NOV-11 2LH8 1 JRNL REVDAT 1 14-SEP-11 2LH8 0 JRNL AUTH R.PEREZ-PINEIRO,T.C.BJORNDAHL,M.V.BERJANSKII,D.HAU,L.LI, JRNL AUTH 2 A.HUANG,R.LEE,E.GIBBS,C.LADNER,Y.W.DONG,A.ABERA,N.R.CASHMAN, JRNL AUTH 3 D.S.WISHART JRNL TITL THE PRION PROTEIN BINDS THIAMINE. JRNL REF FEBS J. V. 278 4002 2011 JRNL REFN ISSN 1742-464X JRNL PMID 21848803 JRNL DOI 10.1111/J.1742-4658.2011.08304.X REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR_NIH REMARK 3 AUTHORS : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2LH8 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-AUG-11. REMARK 100 THE RCSB ID CODE IS RCSB102382. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.2 REMARK 210 IONIC STRENGTH : 0.02 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.3 MM [U-100% 15N] SHPRP, 10 MM REMARK 210 THIAMINE, 90% H2O/10% D2O; 0.5 MM REMARK 210 SHPRP, 12.5 MM THIAMINE, 90% H2O/ REMARK 210 10% D2O; 0.5 MM SHPRP, 10 MM REMARK 210 THIAMINE, 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC; 3D 1H-15N NOESY; REMARK 210 3D 1H-15N TOCSY; 1D STD-TOCSY; 2D REMARK 210 NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRDRAW 3.0, VNMRJ, NMRVIEW, X- REMARK 210 PLOR_NIH 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 LEAST REMARK 210 RESTRAINT VIOLATIONS 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 SER A 42 -176.72 132.27 REMARK 500 ARG A 46 70.94 36.85 REMARK 500 ASN A 80 1.12 -152.66 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ASP A 54 0.07 SIDE CHAIN REMARK 500 TYR A 128 0.07 SIDE CHAIN REMARK 500 GLU A 131 0.08 SIDE CHAIN REMARK 500 ASP A 137 0.09 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 THR A 98 -10.01 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 VIB A 1 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 17834 RELATED DB: BMRB DBREF 2LH8 A 35 138 UNP P04273 PRIO_MESAU 125 228 SEQRES 1 A 104 LEU GLY GLY TYR MET LEU GLY SER ALA MET SER ARG PRO SEQRES 2 A 104 MET MET HIS PHE GLY ASN ASP TRP GLU ASP ARG TYR TYR SEQRES 3 A 104 ARG GLU ASN MET ASN ARG TYR PRO ASN GLN VAL TYR TYR SEQRES 4 A 104 ARG PRO VAL ASP GLN TYR ASN ASN GLN ASN ASN PHE VAL SEQRES 5 A 104 HIS ASP CYS VAL ASN ILE THR ILE LYS GLN HIS THR VAL SEQRES 6 A 104 THR THR THR THR LYS GLY GLU ASN PHE THR GLU THR ASP SEQRES 7 A 104 ILE LYS ILE MET GLU ARG VAL VAL GLU GLN MET CYS THR SEQRES 8 A 104 THR GLN TYR GLN LYS GLU SER GLN ALA TYR TYR ASP GLY HET VIB A 1 35 HETNAM VIB 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY- HETNAM 2 VIB ETHYL)-4-METHYL-THIAZOL-3-IUM HETSYN VIB THIAMIN, VITAMIN B1 FORMUL 2 VIB C12 H17 N4 O S 1+ HELIX 1 1 ASN A 53 MET A 64 1 12 HELIX 2 2 PRO A 75 TYR A 79 5 5 HELIX 3 3 ASN A 81 THR A 103 1 23 HELIX 4 4 THR A 109 GLY A 138 1 30 SHEET 1 A 2 MET A 39 ALA A 43 0 SHEET 2 A 2 GLN A 70 TYR A 73 -1 O TYR A 73 N MET A 39 SITE *** AC1 6 MET A 48 MET A 49 HIS A 50 ASP A 54 SITE *** AC1 6 ASP A 57 TYR A 60 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 122 GLN : amide:sc= 0.275 K(o=1.8,f=1.2) USER MOD Set 1.2: A 126 THR OG1 : rot 74:sc= 1.53 USER MOD Set 2.1: A 89 CYS SG : rot -132:sc= -0.321 USER MOD Set 2.2: A 124 CYS SG : rot -100:sc= 0.993 USER MOD Set 3.1: A 109 THR OG1 : rot -85:sc= 1.2 USER MOD Set 3.2: A 111 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 87 HIS : no HD1:sc= -0.0351 X(o=-0.25,f=-0.19) USER MOD Set 4.2: A 91 ASN : amide:sc= -0.219 K(o=-0.25,f=-0.84) USER MOD Set 5.1: A 80 ASN : amide:sc= 0.457 K(o=1.2,f=-0.72) USER MOD Set 5.2: A 81 ASN : amide:sc= 0.744 K(o=1.2,f=-0.19) USER MOD Set 6.1: A 70 GLN : amide:sc= -0.317 K(o=-1.8,f=-3.5) USER MOD Set 6.2: A 97 HIS : no HD1:sc= -1.46 K(o=-1.8,f=-1.3) USER MOD Set 7.1: A 44 MET CE :methyl -159:sc= -0.014 (180deg=-0.191) USER MOD Set 7.2: A 69 ASN : amide:sc= -0.653 X(o=-0.67,f=-0.34) USER MOD Set 8.1: A 60 TYR OH : rot 18:sc= 0.619 USER MOD Set 8.2: A 67 TYR OH : rot -14:sc= 1.33 USER MOD Single : A 1 VIB O1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0.166 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 72:sc= 0.872 USER MOD Single : A 45 SER OG : rot -61:sc= 0.0842 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc=-0.00938 K(o=-0.0094,f=-1.4) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.059 X(o=-0.059,f=-0.059) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.291 K(o=0.29,f=-2.3!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 13:sc= 1.24 USER MOD Single : A 78 GLN : amide:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.054) USER MOD Single : A 83 ASN : amide:sc= -0.248 K(o=-0.25,f=-1.1) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot -135:sc= 1.24 USER MOD Single : A 95 LYS NZ :NH3+ -161:sc= -0.0374 (180deg=-0.335) USER MOD Single : A 96 GLN : amide:sc= -0.0426 K(o=-0.043,f=-0.58) USER MOD Single : A 98 THR OG1 : rot -70:sc= 1.25 USER MOD Single : A 100 THR OG1 : rot 72:sc= 0.502 USER MOD Single : A 101 THR OG1 : rot 177:sc= 0.00851 USER MOD Single : A 102 THR OG1 : rot 80:sc= 0.452 USER MOD Single : A 103 THR OG1 : rot -78:sc= 0.316 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.125 X(o=-0.12,f=-0.024) USER MOD Single : A 114 LYS NZ :NH3+ -162:sc= -0.0173 (180deg=-0.326) USER MOD Single : A 116 MET CE :methyl 178:sc= -0.246 (180deg=-0.286) USER MOD Single : A 123 MET CE :methyl 152:sc= -0.0443 (180deg=-0.573) USER MOD Single : A 125 THR OG1 : rot 79:sc= 0.239 USER MOD Single : A 127 GLN : amide:sc= -0.42 K(o=-0.42,f=-4!) USER MOD Single : A 128 TYR OH : rot 150:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 35 12.172 -12.670 -4.281 1.00 0.00 N ATOM 2 CA LEU A 35 11.436 -11.442 -4.675 1.00 0.00 C ATOM 3 C LEU A 35 11.843 -10.971 -6.068 1.00 0.00 C ATOM 4 O LEU A 35 10.963 -10.792 -6.891 1.00 0.00 O ATOM 5 CB LEU A 35 11.549 -10.290 -3.654 1.00 0.00 C ATOM 6 CG LEU A 35 11.225 -10.668 -2.195 1.00 0.00 C ATOM 7 CD1 LEU A 35 11.277 -9.428 -1.311 1.00 0.00 C ATOM 8 CD2 LEU A 35 9.850 -11.322 -2.044 1.00 0.00 C ATOM 0 HA LEU A 35 10.385 -11.729 -4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.563 -9.891 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.879 -9.487 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 35 11.977 -11.394 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.047 -9.705 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.275 -8.992 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.547 -8.699 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.676 -11.566 -0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.079 -10.632 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.813 -12.234 -2.640 1.00 0.00 H new ATOM 22 N GLY A 36 13.137 -10.753 -6.322 1.00 0.00 N ATOM 23 CA GLY A 36 13.671 -10.272 -7.607 1.00 0.00 C ATOM 24 C GLY A 36 14.474 -8.983 -7.426 1.00 0.00 C ATOM 25 O GLY A 36 15.651 -8.953 -7.745 1.00 0.00 O ATOM 0 H GLY A 36 13.864 -10.909 -5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.306 -11.040 -8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.850 -10.097 -8.302 1.00 0.00 H new ATOM 29 N GLY A 37 13.928 -8.074 -6.615 1.00 0.00 N ATOM 30 CA GLY A 37 14.570 -6.826 -6.206 1.00 0.00 C ATOM 31 C GLY A 37 13.526 -5.869 -5.640 1.00 0.00 C ATOM 32 O GLY A 37 13.027 -5.029 -6.382 1.00 0.00 O ATOM 0 H GLY A 37 12.998 -8.191 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.335 -7.029 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 37 15.072 -6.368 -7.058 1.00 0.00 H new ATOM 36 N TYR A 38 12.957 -6.238 -4.485 1.00 0.00 N ATOM 37 CA TYR A 38 11.930 -5.452 -3.794 1.00 0.00 C ATOM 38 C TYR A 38 12.201 -5.459 -2.281 1.00 0.00 C ATOM 39 O TYR A 38 12.706 -6.452 -1.756 1.00 0.00 O ATOM 40 CB TYR A 38 10.506 -5.971 -4.086 1.00 0.00 C ATOM 41 CG TYR A 38 10.074 -5.940 -5.545 1.00 0.00 C ATOM 42 CD1 TYR A 38 10.358 -7.030 -6.390 1.00 0.00 C ATOM 43 CD2 TYR A 38 9.376 -4.829 -6.058 1.00 0.00 C ATOM 44 CE1 TYR A 38 10.003 -6.981 -7.752 1.00 0.00 C ATOM 45 CE2 TYR A 38 9.005 -4.779 -7.417 1.00 0.00 C ATOM 46 CZ TYR A 38 9.333 -5.851 -8.272 1.00 0.00 C ATOM 47 OH TYR A 38 9.054 -5.799 -9.603 1.00 0.00 O ATOM 0 H TYR A 38 13.201 -7.101 -3.999 1.00 0.00 H new ATOM 0 HA TYR A 38 11.983 -4.431 -4.171 1.00 0.00 H new ATOM 0 HB2 TYR A 38 10.434 -6.998 -3.727 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.798 -5.380 -3.505 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.849 -7.906 -5.993 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.123 -4.008 -5.404 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.244 -7.810 -8.401 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.471 -3.923 -7.802 1.00 0.00 H new ATOM 0 HH TYR A 38 8.590 -4.960 -9.807 1.00 0.00 H new ATOM 57 N MET A 39 11.751 -4.418 -1.585 1.00 0.00 N ATOM 58 CA MET A 39 12.095 -4.068 -0.209 1.00 0.00 C ATOM 59 C MET A 39 10.875 -3.456 0.481 1.00 0.00 C ATOM 60 O MET A 39 10.179 -2.634 -0.106 1.00 0.00 O ATOM 61 CB MET A 39 13.234 -3.038 -0.255 1.00 0.00 C ATOM 62 CG MET A 39 13.753 -2.688 1.140 1.00 0.00 C ATOM 63 SD MET A 39 15.242 -1.667 1.090 1.00 0.00 S ATOM 64 CE MET A 39 15.473 -1.382 2.863 1.00 0.00 C ATOM 0 H MET A 39 11.094 -3.753 -1.993 1.00 0.00 H new ATOM 0 HA MET A 39 12.406 -4.953 0.346 1.00 0.00 H new ATOM 0 HB2 MET A 39 14.053 -3.431 -0.857 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.882 -2.132 -0.748 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.974 -2.162 1.692 1.00 0.00 H new ATOM 0 HG3 MET A 39 13.965 -3.607 1.686 1.00 0.00 H new ATOM 0 HE1 MET A 39 16.356 -0.763 3.020 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.597 -0.874 3.267 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.605 -2.337 3.371 1.00 0.00 H new ATOM 74 N LEU A 40 10.530 -3.959 1.664 1.00 0.00 N ATOM 75 CA LEU A 40 9.427 -3.440 2.469 1.00 0.00 C ATOM 76 C LEU A 40 9.801 -2.111 3.149 1.00 0.00 C ATOM 77 O LEU A 40 10.653 -2.094 4.030 1.00 0.00 O ATOM 78 CB LEU A 40 8.931 -4.524 3.449 1.00 0.00 C ATOM 79 CG LEU A 40 9.831 -4.925 4.641 1.00 0.00 C ATOM 80 CD1 LEU A 40 9.195 -6.127 5.343 1.00 0.00 C ATOM 81 CD2 LEU A 40 11.260 -5.329 4.263 1.00 0.00 C ATOM 0 H LEU A 40 11.014 -4.747 2.095 1.00 0.00 H new ATOM 0 HA LEU A 40 8.588 -3.199 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.977 -4.189 3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.732 -5.425 2.869 1.00 0.00 H new ATOM 0 HG LEU A 40 9.904 -4.037 5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.816 -6.425 6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.202 -5.856 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.114 -6.957 4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.814 -5.593 5.164 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.230 -6.187 3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.754 -4.495 3.765 1.00 0.00 H new ATOM 93 N GLY A 41 9.076 -1.036 2.836 1.00 0.00 N ATOM 94 CA GLY A 41 9.283 0.278 3.461 1.00 0.00 C ATOM 95 C GLY A 41 8.967 0.308 4.960 1.00 0.00 C ATOM 96 O GLY A 41 9.734 0.846 5.753 1.00 0.00 O ATOM 0 H GLY A 41 8.328 -1.048 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.319 0.581 3.312 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.659 1.014 2.953 1.00 0.00 H new ATOM 100 N SER A 42 7.906 -0.424 5.338 1.00 0.00 N ATOM 101 CA SER A 42 7.354 -0.730 6.680 1.00 0.00 C ATOM 102 C SER A 42 5.833 -0.504 6.708 1.00 0.00 C ATOM 103 O SER A 42 5.194 -0.408 5.657 1.00 0.00 O ATOM 104 CB SER A 42 8.055 -0.017 7.852 1.00 0.00 C ATOM 105 OG SER A 42 9.347 -0.552 8.003 1.00 0.00 O ATOM 0 H SER A 42 7.338 -0.876 4.621 1.00 0.00 H new ATOM 0 HA SER A 42 7.564 -1.787 6.843 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.111 1.055 7.662 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.483 -0.149 8.770 1.00 0.00 H new ATOM 0 HG SER A 42 9.916 -0.245 7.267 1.00 0.00 H new ATOM 111 N ALA A 43 5.212 -0.678 7.879 1.00 0.00 N ATOM 112 CA ALA A 43 3.788 -0.418 8.076 1.00 0.00 C ATOM 113 C ALA A 43 3.449 1.082 7.985 1.00 0.00 C ATOM 114 O ALA A 43 4.151 1.927 8.537 1.00 0.00 O ATOM 115 CB ALA A 43 3.368 -0.998 9.431 1.00 0.00 C ATOM 0 H ALA A 43 5.688 -1.005 8.720 1.00 0.00 H new ATOM 0 HA ALA A 43 3.230 -0.902 7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.306 -0.812 9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.554 -2.072 9.440 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.945 -0.523 10.225 1.00 0.00 H new ATOM 121 N MET A 44 2.271 1.379 7.439 1.00 0.00 N ATOM 122 CA MET A 44 1.628 2.694 7.491 1.00 0.00 C ATOM 123 C MET A 44 1.417 3.197 8.931 1.00 0.00 C ATOM 124 O MET A 44 0.721 2.571 9.729 1.00 0.00 O ATOM 125 CB MET A 44 0.297 2.641 6.721 1.00 0.00 C ATOM 126 CG MET A 44 -0.626 1.480 7.127 1.00 0.00 C ATOM 127 SD MET A 44 -2.298 1.905 7.658 1.00 0.00 S ATOM 128 CE MET A 44 -2.344 1.238 9.340 1.00 0.00 C ATOM 0 H MET A 44 1.718 0.689 6.931 1.00 0.00 H new ATOM 0 HA MET A 44 2.296 3.413 7.017 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.234 3.581 6.872 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.511 2.563 5.655 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.703 0.798 6.281 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.143 0.931 7.936 1.00 0.00 H new ATOM 0 HE1 MET A 44 -3.380 1.089 9.644 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.817 0.284 9.368 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.862 1.938 10.022 1.00 0.00 H new ATOM 138 N SER A 45 1.847 4.432 9.205 1.00 0.00 N ATOM 139 CA SER A 45 1.650 5.124 10.490 1.00 0.00 C ATOM 140 C SER A 45 0.209 5.644 10.692 1.00 0.00 C ATOM 141 O SER A 45 -0.016 6.850 10.741 1.00 0.00 O ATOM 142 CB SER A 45 2.693 6.240 10.642 1.00 0.00 C ATOM 143 OG SER A 45 2.571 6.838 11.914 1.00 0.00 O ATOM 0 H SER A 45 2.355 4.996 8.524 1.00 0.00 H new ATOM 0 HA SER A 45 1.797 4.391 11.283 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.696 5.832 10.516 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.553 6.989 9.863 1.00 0.00 H new ATOM 0 HG SER A 45 1.677 7.229 12.007 1.00 0.00 H new ATOM 149 N ARG A 46 -0.776 4.732 10.745 1.00 0.00 N ATOM 150 CA ARG A 46 -2.228 4.977 10.942 1.00 0.00 C ATOM 151 C ARG A 46 -2.760 6.262 10.244 1.00 0.00 C ATOM 152 O ARG A 46 -3.191 7.190 10.921 1.00 0.00 O ATOM 153 CB ARG A 46 -2.542 4.923 12.449 1.00 0.00 C ATOM 154 CG ARG A 46 -4.052 4.798 12.729 1.00 0.00 C ATOM 155 CD ARG A 46 -4.364 4.942 14.223 1.00 0.00 C ATOM 156 NE ARG A 46 -3.907 3.774 15.004 1.00 0.00 N ATOM 157 CZ ARG A 46 -3.765 3.718 16.317 1.00 0.00 C ATOM 158 NH1 ARG A 46 -3.978 4.752 17.082 1.00 0.00 N ATOM 159 NH2 ARG A 46 -3.410 2.604 16.893 1.00 0.00 N1+ ATOM 0 H ARG A 46 -0.574 3.737 10.646 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.776 4.182 10.437 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.021 4.076 12.896 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.159 5.823 12.930 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.591 5.562 12.169 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.409 3.831 12.374 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.886 5.843 14.607 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.438 5.069 14.357 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.679 2.929 14.479 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.264 5.640 16.671 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.859 4.672 18.092 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.240 1.770 16.330 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.302 2.566 17.907 1.00 0.00 H new ATOM 173 N PRO A 47 -2.848 6.267 8.898 1.00 0.00 N ATOM 174 CA PRO A 47 -3.085 7.427 8.029 1.00 0.00 C ATOM 175 C PRO A 47 -4.126 8.482 8.422 1.00 0.00 C ATOM 176 O PRO A 47 -3.960 9.624 8.016 1.00 0.00 O ATOM 177 CB PRO A 47 -3.460 6.820 6.673 1.00 0.00 C ATOM 178 CG PRO A 47 -2.580 5.584 6.626 1.00 0.00 C ATOM 179 CD PRO A 47 -2.587 5.105 8.071 1.00 0.00 C ATOM 0 HA PRO A 47 -2.173 8.023 8.073 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.519 6.569 6.617 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.250 7.502 5.849 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -2.980 4.829 5.949 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.572 5.819 6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.352 4.344 8.222 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.631 4.652 8.332 1.00 0.00 H new ATOM 187 N MET A 48 -5.282 8.077 8.964 1.00 0.00 N ATOM 188 CA MET A 48 -6.485 8.926 9.087 1.00 0.00 C ATOM 189 C MET A 48 -6.897 9.629 7.763 1.00 0.00 C ATOM 190 O MET A 48 -7.362 10.765 7.754 1.00 0.00 O ATOM 191 CB MET A 48 -6.319 9.843 10.311 1.00 0.00 C ATOM 192 CG MET A 48 -7.641 10.436 10.811 1.00 0.00 C ATOM 193 SD MET A 48 -7.509 11.192 12.453 1.00 0.00 S ATOM 194 CE MET A 48 -8.884 12.367 12.348 1.00 0.00 C ATOM 0 H MET A 48 -5.415 7.137 9.336 1.00 0.00 H new ATOM 0 HA MET A 48 -7.356 8.298 9.272 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.854 9.278 11.119 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.638 10.655 10.057 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.987 11.186 10.100 1.00 0.00 H new ATOM 0 HG3 MET A 48 -8.396 9.651 10.839 1.00 0.00 H new ATOM 0 HE1 MET A 48 -8.956 12.927 13.280 1.00 0.00 H new ATOM 0 HE2 MET A 48 -8.711 13.057 11.522 1.00 0.00 H new ATOM 0 HE3 MET A 48 -9.814 11.824 12.178 1.00 0.00 H new ATOM 204 N MET A 49 -6.611 8.977 6.626 1.00 0.00 N ATOM 205 CA MET A 49 -6.844 9.491 5.266 1.00 0.00 C ATOM 206 C MET A 49 -8.286 9.255 4.811 1.00 0.00 C ATOM 207 O MET A 49 -9.175 9.248 5.642 1.00 0.00 O ATOM 208 CB MET A 49 -5.790 8.903 4.309 1.00 0.00 C ATOM 209 CG MET A 49 -4.475 9.660 4.490 1.00 0.00 C ATOM 210 SD MET A 49 -4.537 11.375 3.902 1.00 0.00 S ATOM 211 CE MET A 49 -3.112 12.023 4.814 1.00 0.00 C ATOM 0 H MET A 49 -6.197 8.045 6.627 1.00 0.00 H new ATOM 0 HA MET A 49 -6.722 10.574 5.260 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.645 7.842 4.515 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.132 8.984 3.277 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.206 9.656 5.546 1.00 0.00 H new ATOM 0 HG3 MET A 49 -3.685 9.131 3.958 1.00 0.00 H new ATOM 0 HE1 MET A 49 -2.982 13.080 4.583 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.280 11.903 5.884 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.215 11.476 4.524 1.00 0.00 H new ATOM 221 N HIS A 50 -8.588 9.326 3.511 1.00 0.00 N ATOM 222 CA HIS A 50 -9.969 9.327 3.017 1.00 0.00 C ATOM 223 C HIS A 50 -10.070 8.828 1.580 1.00 0.00 C ATOM 224 O HIS A 50 -9.113 8.981 0.824 1.00 0.00 O ATOM 225 CB HIS A 50 -10.512 10.757 3.130 1.00 0.00 C ATOM 226 CG HIS A 50 -9.912 11.753 2.180 1.00 0.00 C ATOM 227 ND1 HIS A 50 -8.702 12.393 2.357 1.00 0.00 N ATOM 228 CD2 HIS A 50 -10.452 12.173 0.997 1.00 0.00 C ATOM 229 CE1 HIS A 50 -8.486 13.170 1.277 1.00 0.00 C ATOM 230 NE2 HIS A 50 -9.543 13.055 0.441 1.00 0.00 N ATOM 0 H HIS A 50 -7.885 9.384 2.774 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.561 8.640 3.622 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -11.590 10.732 2.969 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.350 11.109 4.149 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.402 11.875 0.578 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.613 13.783 1.107 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -9.652 13.538 -0.451 1.00 0.00 H new ATOM 239 N PHE A 51 -11.306 8.568 1.161 1.00 0.00 N ATOM 240 CA PHE A 51 -11.635 8.132 -0.200 1.00 0.00 C ATOM 241 C PHE A 51 -12.569 9.130 -0.902 1.00 0.00 C ATOM 242 O PHE A 51 -12.236 9.607 -1.981 1.00 0.00 O ATOM 243 CB PHE A 51 -12.254 6.723 -0.129 1.00 0.00 C ATOM 244 CG PHE A 51 -11.457 5.755 0.728 1.00 0.00 C ATOM 245 CD1 PHE A 51 -11.692 5.674 2.116 1.00 0.00 C ATOM 246 CD2 PHE A 51 -10.454 4.961 0.148 1.00 0.00 C ATOM 247 CE1 PHE A 51 -10.913 4.822 2.917 1.00 0.00 C ATOM 248 CE2 PHE A 51 -9.673 4.116 0.952 1.00 0.00 C ATOM 249 CZ PHE A 51 -9.902 4.042 2.333 1.00 0.00 C ATOM 0 H PHE A 51 -12.123 8.655 1.765 1.00 0.00 H new ATOM 0 HA PHE A 51 -10.725 8.095 -0.799 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -13.266 6.799 0.268 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -12.337 6.320 -1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -12.474 6.269 2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.283 5.001 -0.918 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -11.092 4.767 3.981 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.892 3.520 0.504 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.302 3.386 2.947 1.00 0.00 H new ATOM 259 N GLY A 52 -13.527 9.688 -0.149 1.00 0.00 N ATOM 260 CA GLY A 52 -14.667 10.430 -0.712 1.00 0.00 C ATOM 261 C GLY A 52 -15.917 9.553 -0.885 1.00 0.00 C ATOM 262 O GLY A 52 -16.921 10.013 -1.412 1.00 0.00 O ATOM 0 H GLY A 52 -13.535 9.638 0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.905 11.271 -0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.383 10.846 -1.679 1.00 0.00 H new ATOM 266 N ASN A 53 -15.854 8.319 -0.374 1.00 0.00 N ATOM 267 CA ASN A 53 -16.868 7.281 -0.469 1.00 0.00 C ATOM 268 C ASN A 53 -17.027 6.678 0.934 1.00 0.00 C ATOM 269 O ASN A 53 -16.115 6.010 1.422 1.00 0.00 O ATOM 270 CB ASN A 53 -16.401 6.214 -1.487 1.00 0.00 C ATOM 271 CG ASN A 53 -16.265 6.719 -2.916 1.00 0.00 C ATOM 272 OD1 ASN A 53 -15.494 7.611 -3.230 1.00 0.00 O ATOM 273 ND2 ASN A 53 -16.935 6.098 -3.856 1.00 0.00 N ATOM 0 H ASN A 53 -15.037 8.005 0.150 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.825 7.675 -0.812 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.439 5.818 -1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -17.108 5.385 -1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.808 6.363 -4.833 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.584 5.350 -3.611 1.00 0.00 H new ATOM 280 N ASP A 54 -18.096 7.028 1.645 1.00 0.00 N ATOM 281 CA ASP A 54 -18.270 6.737 3.079 1.00 0.00 C ATOM 282 C ASP A 54 -18.296 5.229 3.391 1.00 0.00 C ATOM 283 O ASP A 54 -17.701 4.762 4.360 1.00 0.00 O ATOM 284 CB ASP A 54 -19.551 7.424 3.574 1.00 0.00 C ATOM 285 CG ASP A 54 -19.578 8.900 3.162 1.00 0.00 C ATOM 286 OD1 ASP A 54 -18.861 9.684 3.822 1.00 0.00 O ATOM 287 OD2 ASP A 54 -19.934 9.110 1.979 1.00 0.00 O1- ATOM 0 H ASP A 54 -18.885 7.532 1.239 1.00 0.00 H new ATOM 0 HA ASP A 54 -17.403 7.132 3.609 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -20.423 6.913 3.166 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -19.614 7.345 4.659 1.00 0.00 H new ATOM 292 N TRP A 55 -18.773 4.422 2.438 1.00 0.00 N ATOM 293 CA TRP A 55 -18.675 2.961 2.508 1.00 0.00 C ATOM 294 C TRP A 55 -17.220 2.446 2.535 1.00 0.00 C ATOM 295 O TRP A 55 -16.941 1.468 3.222 1.00 0.00 O ATOM 296 CB TRP A 55 -19.485 2.338 1.361 1.00 0.00 C ATOM 297 CG TRP A 55 -19.976 0.948 1.630 1.00 0.00 C ATOM 298 CD1 TRP A 55 -19.292 -0.193 1.385 1.00 0.00 C ATOM 299 CD2 TRP A 55 -21.239 0.532 2.240 1.00 0.00 C ATOM 300 NE1 TRP A 55 -20.042 -1.280 1.793 1.00 0.00 N ATOM 301 CE2 TRP A 55 -21.249 -0.892 2.335 1.00 0.00 C ATOM 302 CE3 TRP A 55 -22.373 1.214 2.738 1.00 0.00 C ATOM 303 CZ2 TRP A 55 -22.323 -1.603 2.893 1.00 0.00 C ATOM 304 CZ3 TRP A 55 -23.457 0.511 3.301 1.00 0.00 C ATOM 305 CH2 TRP A 55 -23.434 -0.893 3.379 1.00 0.00 C ATOM 0 H TRP A 55 -19.238 4.763 1.597 1.00 0.00 H new ATOM 0 HA TRP A 55 -19.102 2.646 3.460 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -20.342 2.978 1.149 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -18.868 2.324 0.463 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -18.310 -0.246 0.939 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -19.740 -2.250 1.704 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -22.409 2.292 2.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.296 -2.681 2.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.312 1.055 3.675 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.269 -1.425 3.812 1.00 0.00 H new ATOM 316 N GLU A 56 -16.270 3.163 1.919 1.00 0.00 N ATOM 317 CA GLU A 56 -14.832 2.833 1.932 1.00 0.00 C ATOM 318 C GLU A 56 -14.100 3.424 3.150 1.00 0.00 C ATOM 319 O GLU A 56 -13.252 2.746 3.732 1.00 0.00 O ATOM 320 CB GLU A 56 -14.139 3.325 0.644 1.00 0.00 C ATOM 321 CG GLU A 56 -14.733 2.731 -0.647 1.00 0.00 C ATOM 322 CD GLU A 56 -14.041 3.218 -1.938 1.00 0.00 C ATOM 323 OE1 GLU A 56 -12.851 3.611 -1.892 1.00 0.00 O ATOM 324 OE2 GLU A 56 -14.717 3.196 -2.995 1.00 0.00 O1- ATOM 0 H GLU A 56 -16.481 4.007 1.386 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.773 1.746 1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.208 4.412 0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.079 3.074 0.694 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.666 1.644 -0.599 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.792 2.983 -0.697 1.00 0.00 H new ATOM 331 N ASP A 57 -14.525 4.597 3.643 1.00 0.00 N ATOM 332 CA ASP A 57 -14.139 5.123 4.965 1.00 0.00 C ATOM 333 C ASP A 57 -14.379 4.083 6.056 1.00 0.00 C ATOM 334 O ASP A 57 -13.451 3.645 6.752 1.00 0.00 O ATOM 335 CB ASP A 57 -14.919 6.422 5.266 1.00 0.00 C ATOM 336 CG ASP A 57 -15.590 6.476 6.667 1.00 0.00 C ATOM 337 OD1 ASP A 57 -14.876 6.343 7.688 1.00 0.00 O1- ATOM 338 OD2 ASP A 57 -16.834 6.508 6.727 1.00 0.00 O ATOM 0 H ASP A 57 -15.154 5.216 3.131 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.073 5.351 4.950 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.237 7.267 5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.689 6.550 4.506 1.00 0.00 H new ATOM 343 N ARG A 58 -15.626 3.608 6.101 1.00 0.00 N ATOM 344 CA ARG A 58 -16.054 2.648 7.093 1.00 0.00 C ATOM 345 C ARG A 58 -15.282 1.352 6.929 1.00 0.00 C ATOM 346 O ARG A 58 -14.714 0.882 7.913 1.00 0.00 O ATOM 347 CB ARG A 58 -17.561 2.431 6.971 1.00 0.00 C ATOM 348 CG ARG A 58 -18.009 1.559 8.144 1.00 0.00 C ATOM 349 CD ARG A 58 -19.422 1.027 7.957 1.00 0.00 C ATOM 350 NE ARG A 58 -19.717 0.101 9.058 1.00 0.00 N ATOM 351 CZ ARG A 58 -20.135 0.409 10.266 1.00 0.00 C ATOM 352 NH1 ARG A 58 -20.502 1.622 10.579 1.00 0.00 N ATOM 353 NH2 ARG A 58 -20.139 -0.483 11.205 1.00 0.00 N1+ ATOM 0 H ARG A 58 -16.358 3.884 5.447 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.846 3.028 8.093 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -18.086 3.386 6.984 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -17.801 1.948 6.024 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -17.319 0.722 8.257 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -17.960 2.139 9.065 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -20.139 1.848 7.950 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -19.512 0.517 6.998 1.00 0.00 H new ATOM 0 HE ARG A 58 -19.583 -0.891 8.864 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -20.469 2.362 9.878 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -20.822 1.830 11.525 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.817 -1.431 11.009 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -20.464 -0.238 12.140 1.00 0.00 H new ATOM 367 N TYR A 59 -15.192 0.822 5.706 1.00 0.00 N ATOM 368 CA TYR A 59 -14.500 -0.444 5.481 1.00 0.00 C ATOM 369 C TYR A 59 -13.011 -0.390 5.817 1.00 0.00 C ATOM 370 O TYR A 59 -12.501 -1.369 6.362 1.00 0.00 O ATOM 371 CB TYR A 59 -14.745 -1.003 4.072 1.00 0.00 C ATOM 372 CG TYR A 59 -15.372 -2.380 4.120 1.00 0.00 C ATOM 373 CD1 TYR A 59 -16.597 -2.560 4.796 1.00 0.00 C ATOM 374 CD2 TYR A 59 -14.697 -3.490 3.578 1.00 0.00 C ATOM 375 CE1 TYR A 59 -17.130 -3.852 4.957 1.00 0.00 C ATOM 376 CE2 TYR A 59 -15.242 -4.779 3.716 1.00 0.00 C ATOM 377 CZ TYR A 59 -16.452 -4.964 4.416 1.00 0.00 C ATOM 378 OH TYR A 59 -16.936 -6.217 4.605 1.00 0.00 O ATOM 0 H TYR A 59 -15.586 1.247 4.866 1.00 0.00 H new ATOM 0 HA TYR A 59 -14.944 -1.144 6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -15.396 -0.325 3.519 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.801 -1.051 3.530 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -17.126 -1.705 5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.761 -3.352 3.057 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -18.057 -3.992 5.494 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -14.733 -5.629 3.285 1.00 0.00 H new ATOM 0 HH TYR A 59 -16.347 -6.865 4.165 1.00 0.00 H new ATOM 388 N TYR A 60 -12.387 0.791 5.760 1.00 0.00 N ATOM 389 CA TYR A 60 -11.075 0.991 6.356 1.00 0.00 C ATOM 390 C TYR A 60 -11.096 0.792 7.880 1.00 0.00 C ATOM 391 O TYR A 60 -10.433 -0.116 8.393 1.00 0.00 O ATOM 392 CB TYR A 60 -10.493 2.351 5.938 1.00 0.00 C ATOM 393 CG TYR A 60 -8.986 2.509 6.062 1.00 0.00 C ATOM 394 CD1 TYR A 60 -8.187 1.595 6.775 1.00 0.00 C ATOM 395 CD2 TYR A 60 -8.372 3.619 5.464 1.00 0.00 C ATOM 396 CE1 TYR A 60 -6.820 1.828 6.978 1.00 0.00 C ATOM 397 CE2 TYR A 60 -7.001 3.860 5.643 1.00 0.00 C ATOM 398 CZ TYR A 60 -6.234 2.970 6.417 1.00 0.00 C ATOM 399 OH TYR A 60 -4.933 3.233 6.649 1.00 0.00 O ATOM 0 H TYR A 60 -12.774 1.618 5.306 1.00 0.00 H new ATOM 0 HA TYR A 60 -10.406 0.222 5.970 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.772 2.538 4.901 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.968 3.125 6.540 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -8.636 0.697 7.173 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.960 4.295 4.860 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.227 1.137 7.559 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.538 4.724 5.189 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.485 2.418 6.958 1.00 0.00 H new ATOM 409 N ARG A 61 -11.899 1.562 8.622 1.00 0.00 N ATOM 410 CA ARG A 61 -11.972 1.436 10.091 1.00 0.00 C ATOM 411 C ARG A 61 -12.491 0.073 10.582 1.00 0.00 C ATOM 412 O ARG A 61 -12.187 -0.300 11.711 1.00 0.00 O ATOM 413 CB ARG A 61 -12.772 2.617 10.658 1.00 0.00 C ATOM 414 CG ARG A 61 -12.729 2.654 12.195 1.00 0.00 C ATOM 415 CD ARG A 61 -13.141 4.014 12.766 1.00 0.00 C ATOM 416 NE ARG A 61 -14.521 4.379 12.393 1.00 0.00 N ATOM 417 CZ ARG A 61 -15.289 5.271 12.991 1.00 0.00 C ATOM 418 NH1 ARG A 61 -14.898 5.914 14.057 1.00 0.00 N ATOM 419 NH2 ARG A 61 -16.476 5.535 12.526 1.00 0.00 N1+ ATOM 0 H ARG A 61 -12.510 2.281 8.234 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.953 1.475 10.477 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.372 3.550 10.261 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.808 2.547 10.325 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.390 1.883 12.591 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.721 2.414 12.532 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.054 3.992 13.852 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.454 4.780 12.407 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.923 3.893 11.591 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.975 5.733 14.452 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.515 6.597 14.496 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.817 5.052 11.695 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.065 6.225 12.992 1.00 0.00 H new ATOM 433 N GLU A 62 -13.186 -0.679 9.733 1.00 0.00 N ATOM 434 CA GLU A 62 -13.832 -1.956 10.060 1.00 0.00 C ATOM 435 C GLU A 62 -13.007 -3.197 9.650 1.00 0.00 C ATOM 436 O GLU A 62 -13.111 -4.224 10.316 1.00 0.00 O ATOM 437 CB GLU A 62 -15.237 -1.917 9.427 1.00 0.00 C ATOM 438 CG GLU A 62 -16.208 -3.003 9.908 1.00 0.00 C ATOM 439 CD GLU A 62 -17.675 -2.590 9.682 1.00 0.00 C ATOM 440 OE1 GLU A 62 -17.990 -2.008 8.620 1.00 0.00 O1- ATOM 441 OE2 GLU A 62 -18.400 -2.462 10.696 1.00 0.00 O ATOM 0 H GLU A 62 -13.323 -0.409 8.759 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.907 -2.067 11.142 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.681 -0.942 9.629 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.132 -2.001 8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.005 -3.934 9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.043 -3.197 10.968 1.00 0.00 H new ATOM 448 N ASN A 63 -12.022 -3.056 8.745 1.00 0.00 N ATOM 449 CA ASN A 63 -11.225 -4.188 8.229 1.00 0.00 C ATOM 450 C ASN A 63 -9.700 -3.968 8.267 1.00 0.00 C ATOM 451 O ASN A 63 -8.942 -4.906 8.011 1.00 0.00 O ATOM 452 CB ASN A 63 -11.691 -4.567 6.809 1.00 0.00 C ATOM 453 CG ASN A 63 -13.143 -4.998 6.775 1.00 0.00 C ATOM 454 OD1 ASN A 63 -13.479 -6.127 7.110 1.00 0.00 O ATOM 455 ND2 ASN A 63 -14.026 -4.041 6.612 1.00 0.00 N ATOM 0 H ASN A 63 -11.755 -2.155 8.349 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.410 -5.017 8.913 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.552 -3.715 6.144 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.066 -5.374 6.427 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -15.017 -4.230 6.765 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.722 -3.108 6.333 1.00 0.00 H new ATOM 462 N MET A 64 -9.204 -2.813 8.728 1.00 0.00 N ATOM 463 CA MET A 64 -7.761 -2.539 8.897 1.00 0.00 C ATOM 464 C MET A 64 -6.973 -3.555 9.747 1.00 0.00 C ATOM 465 O MET A 64 -5.761 -3.681 9.591 1.00 0.00 O ATOM 466 CB MET A 64 -7.540 -1.122 9.441 1.00 0.00 C ATOM 467 CG MET A 64 -8.228 -0.830 10.782 1.00 0.00 C ATOM 468 SD MET A 64 -7.295 -1.349 12.250 1.00 0.00 S ATOM 469 CE MET A 64 -6.664 0.259 12.780 1.00 0.00 C ATOM 0 H MET A 64 -9.797 -2.029 8.999 1.00 0.00 H new ATOM 0 HA MET A 64 -7.354 -2.640 7.891 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.469 -0.955 9.555 1.00 0.00 H new ATOM 0 HB3 MET A 64 -7.898 -0.405 8.702 1.00 0.00 H new ATOM 0 HG2 MET A 64 -8.418 0.241 10.850 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.198 -1.327 10.792 1.00 0.00 H new ATOM 0 HE1 MET A 64 -6.061 0.135 13.679 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.050 0.688 11.988 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.500 0.926 12.993 1.00 0.00 H new ATOM 479 N ASN A 65 -7.646 -4.331 10.596 1.00 0.00 N ATOM 480 CA ASN A 65 -7.058 -5.410 11.395 1.00 0.00 C ATOM 481 C ASN A 65 -6.625 -6.617 10.535 1.00 0.00 C ATOM 482 O ASN A 65 -5.777 -7.411 10.945 1.00 0.00 O ATOM 483 CB ASN A 65 -8.095 -5.864 12.442 1.00 0.00 C ATOM 484 CG ASN A 65 -8.825 -4.716 13.118 1.00 0.00 C ATOM 485 OD1 ASN A 65 -9.664 -4.064 12.529 1.00 0.00 O ATOM 486 ND2 ASN A 65 -8.509 -4.391 14.348 1.00 0.00 N ATOM 0 H ASN A 65 -8.648 -4.224 10.753 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.158 -5.024 11.875 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.826 -6.513 11.959 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.592 -6.461 13.203 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.966 -3.599 14.800 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.806 -4.930 14.853 1.00 0.00 H new ATOM 493 N ARG A 66 -7.288 -6.787 9.385 1.00 0.00 N ATOM 494 CA ARG A 66 -7.101 -7.843 8.381 1.00 0.00 C ATOM 495 C ARG A 66 -6.263 -7.351 7.195 1.00 0.00 C ATOM 496 O ARG A 66 -5.483 -8.120 6.627 1.00 0.00 O ATOM 497 CB ARG A 66 -8.500 -8.241 7.868 1.00 0.00 C ATOM 498 CG ARG A 66 -9.376 -8.980 8.894 1.00 0.00 C ATOM 499 CD ARG A 66 -10.864 -8.817 8.544 1.00 0.00 C ATOM 500 NE ARG A 66 -11.672 -9.927 9.084 1.00 0.00 N ATOM 501 CZ ARG A 66 -12.804 -10.349 8.546 1.00 0.00 C ATOM 502 NH1 ARG A 66 -13.488 -9.641 7.692 1.00 0.00 N ATOM 503 NH2 ARG A 66 -13.312 -11.490 8.925 1.00 0.00 N1+ ATOM 0 H ARG A 66 -8.027 -6.140 9.110 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.576 -8.683 8.835 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.023 -7.341 7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.383 -8.874 6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.114 -10.038 8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.186 -8.588 9.893 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.231 -7.871 8.943 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.981 -8.774 7.461 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.337 -10.398 9.924 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.155 -8.719 7.412 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.356 -10.009 7.304 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.836 -12.050 9.632 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.185 -11.821 8.514 1.00 0.00 H new ATOM 517 N TYR A 67 -6.445 -6.084 6.818 1.00 0.00 N ATOM 518 CA TYR A 67 -5.918 -5.512 5.578 1.00 0.00 C ATOM 519 C TYR A 67 -4.368 -5.431 5.523 1.00 0.00 C ATOM 520 O TYR A 67 -3.693 -5.196 6.533 1.00 0.00 O ATOM 521 CB TYR A 67 -6.618 -4.164 5.290 1.00 0.00 C ATOM 522 CG TYR A 67 -5.757 -2.910 5.248 1.00 0.00 C ATOM 523 CD1 TYR A 67 -5.125 -2.433 6.411 1.00 0.00 C ATOM 524 CD2 TYR A 67 -5.642 -2.180 4.051 1.00 0.00 C ATOM 525 CE1 TYR A 67 -4.401 -1.228 6.384 1.00 0.00 C ATOM 526 CE2 TYR A 67 -4.872 -1.005 4.002 1.00 0.00 C ATOM 527 CZ TYR A 67 -4.251 -0.528 5.170 1.00 0.00 C ATOM 528 OH TYR A 67 -3.491 0.591 5.118 1.00 0.00 O ATOM 0 H TYR A 67 -6.973 -5.414 7.377 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.158 -6.202 4.769 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.130 -4.251 4.331 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.386 -4.017 6.049 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.196 -2.996 7.330 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.149 -2.525 3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.961 -0.840 7.291 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.758 -0.470 3.071 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.304 0.902 6.028 1.00 0.00 H new ATOM 538 N PRO A 68 -3.758 -5.568 4.331 1.00 0.00 N ATOM 539 CA PRO A 68 -2.321 -5.398 4.119 1.00 0.00 C ATOM 540 C PRO A 68 -1.849 -3.936 4.237 1.00 0.00 C ATOM 541 O PRO A 68 -1.699 -3.219 3.255 1.00 0.00 O ATOM 542 CB PRO A 68 -2.049 -6.022 2.751 1.00 0.00 C ATOM 543 CG PRO A 68 -3.365 -5.891 2.004 1.00 0.00 C ATOM 544 CD PRO A 68 -4.385 -6.082 3.125 1.00 0.00 C ATOM 0 HA PRO A 68 -1.743 -5.890 4.901 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.244 -5.503 2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.747 -7.065 2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.466 -4.919 1.522 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.469 -6.646 1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.309 -5.546 2.907 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.646 -7.134 3.239 1.00 0.00 H new ATOM 552 N ASN A 69 -1.343 -3.600 5.424 1.00 0.00 N ATOM 553 CA ASN A 69 -0.997 -2.226 5.817 1.00 0.00 C ATOM 554 C ASN A 69 0.453 -1.754 5.523 1.00 0.00 C ATOM 555 O ASN A 69 0.987 -0.922 6.251 1.00 0.00 O ATOM 556 CB ASN A 69 -1.365 -2.106 7.311 1.00 0.00 C ATOM 557 CG ASN A 69 -0.302 -2.563 8.300 1.00 0.00 C ATOM 558 OD1 ASN A 69 -0.116 -1.980 9.349 1.00 0.00 O ATOM 559 ND2 ASN A 69 0.446 -3.607 8.015 1.00 0.00 N ATOM 0 H ASN A 69 -1.157 -4.286 6.156 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.565 -1.543 5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.606 -1.064 7.523 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.271 -2.685 7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.166 -3.913 8.670 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.306 -4.111 7.139 1.00 0.00 H new ATOM 566 N GLN A 70 1.191 -2.438 4.649 1.00 0.00 N ATOM 567 CA GLN A 70 2.629 -2.193 4.431 1.00 0.00 C ATOM 568 C GLN A 70 2.981 -2.417 2.963 1.00 0.00 C ATOM 569 O GLN A 70 2.291 -3.185 2.291 1.00 0.00 O ATOM 570 CB GLN A 70 3.464 -3.090 5.366 1.00 0.00 C ATOM 571 CG GLN A 70 3.401 -4.584 5.015 1.00 0.00 C ATOM 572 CD GLN A 70 3.939 -5.516 6.097 1.00 0.00 C ATOM 573 OE1 GLN A 70 3.602 -6.687 6.100 1.00 0.00 O ATOM 574 NE2 GLN A 70 4.627 -5.053 7.119 1.00 0.00 N ATOM 0 H GLN A 70 0.812 -3.184 4.065 1.00 0.00 H new ATOM 0 HA GLN A 70 2.864 -1.156 4.671 1.00 0.00 H new ATOM 0 HB2 GLN A 70 4.503 -2.763 5.334 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.117 -2.953 6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.365 -4.851 4.807 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.964 -4.752 4.097 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.919 -4.076 7.136 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.868 -5.671 7.894 1.00 0.00 H new ATOM 583 N VAL A 71 4.082 -1.837 2.482 1.00 0.00 N ATOM 584 CA VAL A 71 4.345 -1.713 1.035 1.00 0.00 C ATOM 585 C VAL A 71 5.752 -2.190 0.683 1.00 0.00 C ATOM 586 O VAL A 71 6.684 -1.942 1.442 1.00 0.00 O ATOM 587 CB VAL A 71 4.071 -0.273 0.543 1.00 0.00 C ATOM 588 CG1 VAL A 71 2.703 0.219 1.039 1.00 0.00 C ATOM 589 CG2 VAL A 71 5.111 0.767 0.977 1.00 0.00 C ATOM 0 H VAL A 71 4.814 -1.442 3.072 1.00 0.00 H new ATOM 0 HA VAL A 71 3.652 -2.368 0.507 1.00 0.00 H new ATOM 0 HB VAL A 71 4.112 -0.352 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.530 1.234 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.920 -0.438 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.686 0.210 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.833 1.745 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.150 0.811 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.090 0.486 0.590 1.00 0.00 H new ATOM 599 N TYR A 72 5.883 -2.936 -0.418 1.00 0.00 N ATOM 600 CA TYR A 72 7.157 -3.443 -0.943 1.00 0.00 C ATOM 601 C TYR A 72 7.463 -2.728 -2.262 1.00 0.00 C ATOM 602 O TYR A 72 6.653 -2.822 -3.174 1.00 0.00 O ATOM 603 CB TYR A 72 7.073 -4.960 -1.211 1.00 0.00 C ATOM 604 CG TYR A 72 7.267 -5.898 -0.034 1.00 0.00 C ATOM 605 CD1 TYR A 72 6.252 -6.038 0.930 1.00 0.00 C ATOM 606 CD2 TYR A 72 8.415 -6.714 0.035 1.00 0.00 C ATOM 607 CE1 TYR A 72 6.370 -6.993 1.958 1.00 0.00 C ATOM 608 CE2 TYR A 72 8.537 -7.674 1.058 1.00 0.00 C ATOM 609 CZ TYR A 72 7.513 -7.819 2.017 1.00 0.00 C ATOM 610 OH TYR A 72 7.634 -8.755 2.993 1.00 0.00 O ATOM 0 H TYR A 72 5.082 -3.213 -0.986 1.00 0.00 H new ATOM 0 HA TYR A 72 7.940 -3.258 -0.208 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.097 -5.169 -1.649 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.820 -5.209 -1.964 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.376 -5.408 0.881 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.201 -6.603 -0.697 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.590 -7.093 2.698 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.416 -8.300 1.108 1.00 0.00 H new ATOM 0 HH TYR A 72 8.481 -9.235 2.883 1.00 0.00 H new ATOM 620 N TYR A 73 8.664 -2.187 -2.447 1.00 0.00 N ATOM 621 CA TYR A 73 9.084 -1.476 -3.663 1.00 0.00 C ATOM 622 C TYR A 73 10.464 -1.928 -4.136 1.00 0.00 C ATOM 623 O TYR A 73 11.282 -2.381 -3.343 1.00 0.00 O ATOM 624 CB TYR A 73 9.121 0.036 -3.406 1.00 0.00 C ATOM 625 CG TYR A 73 9.789 0.485 -2.121 1.00 0.00 C ATOM 626 CD1 TYR A 73 11.189 0.620 -2.050 1.00 0.00 C ATOM 627 CD2 TYR A 73 8.995 0.827 -1.010 1.00 0.00 C ATOM 628 CE1 TYR A 73 11.798 1.122 -0.887 1.00 0.00 C ATOM 629 CE2 TYR A 73 9.604 1.319 0.159 1.00 0.00 C ATOM 630 CZ TYR A 73 11.004 1.478 0.220 1.00 0.00 C ATOM 631 OH TYR A 73 11.566 2.010 1.331 1.00 0.00 O ATOM 0 H TYR A 73 9.397 -2.229 -1.738 1.00 0.00 H new ATOM 0 HA TYR A 73 8.356 -1.709 -4.440 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.633 0.512 -4.242 1.00 0.00 H new ATOM 0 HB3 TYR A 73 8.096 0.408 -3.407 1.00 0.00 H new ATOM 0 HD1 TYR A 73 11.799 0.336 -2.895 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.922 0.712 -1.055 1.00 0.00 H new ATOM 0 HE1 TYR A 73 12.871 1.234 -0.843 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.996 1.576 1.014 1.00 0.00 H new ATOM 0 HH TYR A 73 12.492 2.267 1.138 1.00 0.00 H new ATOM 641 N ARG A 74 10.753 -1.786 -5.432 1.00 0.00 N ATOM 642 CA ARG A 74 12.144 -1.770 -5.919 1.00 0.00 C ATOM 643 C ARG A 74 12.806 -0.472 -5.428 1.00 0.00 C ATOM 644 O ARG A 74 12.066 0.491 -5.266 1.00 0.00 O ATOM 645 CB ARG A 74 12.088 -1.850 -7.452 1.00 0.00 C ATOM 646 CG ARG A 74 13.450 -2.136 -8.101 1.00 0.00 C ATOM 647 CD ARG A 74 13.301 -2.566 -9.563 1.00 0.00 C ATOM 648 NE ARG A 74 12.598 -3.861 -9.689 1.00 0.00 N ATOM 649 CZ ARG A 74 12.499 -4.580 -10.791 1.00 0.00 C ATOM 650 NH1 ARG A 74 13.156 -4.271 -11.875 1.00 0.00 N ATOM 651 NH2 ARG A 74 11.717 -5.622 -10.835 1.00 0.00 N1+ ATOM 0 H ARG A 74 10.050 -1.681 -6.163 1.00 0.00 H new ATOM 0 HA ARG A 74 12.733 -2.608 -5.546 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.385 -2.631 -7.742 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.698 -0.910 -7.843 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.074 -1.244 -8.046 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.963 -2.919 -7.542 1.00 0.00 H new ATOM 0 HD2 ARG A 74 12.753 -1.801 -10.112 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.287 -2.642 -10.021 1.00 0.00 H new ATOM 0 HE ARG A 74 12.150 -4.231 -8.850 1.00 0.00 H new ATOM 0 HH11 ARG A 74 13.767 -3.454 -11.886 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.059 -4.846 -12.712 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.175 -5.888 -10.013 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.647 -6.171 -11.692 1.00 0.00 H new ATOM 665 N PRO A 75 14.118 -0.393 -5.151 1.00 0.00 N ATOM 666 CA PRO A 75 14.734 0.900 -4.849 1.00 0.00 C ATOM 667 C PRO A 75 14.536 1.917 -5.993 1.00 0.00 C ATOM 668 O PRO A 75 14.227 1.555 -7.133 1.00 0.00 O ATOM 669 CB PRO A 75 16.200 0.602 -4.518 1.00 0.00 C ATOM 670 CG PRO A 75 16.455 -0.765 -5.156 1.00 0.00 C ATOM 671 CD PRO A 75 15.099 -1.460 -5.060 1.00 0.00 C ATOM 0 HA PRO A 75 14.259 1.388 -3.998 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.864 1.363 -4.927 1.00 0.00 H new ATOM 0 HB3 PRO A 75 16.369 0.577 -3.441 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.785 -0.670 -6.190 1.00 0.00 H new ATOM 0 HG3 PRO A 75 17.229 -1.319 -4.624 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.970 -2.184 -5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.002 -2.006 -4.122 1.00 0.00 H new ATOM 679 N VAL A 76 14.470 3.196 -5.611 1.00 0.00 N ATOM 680 CA VAL A 76 14.152 4.333 -6.502 1.00 0.00 C ATOM 681 C VAL A 76 15.271 4.688 -7.486 1.00 0.00 C ATOM 682 O VAL A 76 15.025 5.432 -8.428 1.00 0.00 O ATOM 683 CB VAL A 76 13.801 5.594 -5.689 1.00 0.00 C ATOM 684 CG1 VAL A 76 12.521 5.406 -4.867 1.00 0.00 C ATOM 685 CG2 VAL A 76 14.938 6.000 -4.748 1.00 0.00 C ATOM 0 H VAL A 76 14.640 3.485 -4.648 1.00 0.00 H new ATOM 0 HA VAL A 76 13.294 3.997 -7.085 1.00 0.00 H new ATOM 0 HB VAL A 76 13.642 6.387 -6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.310 6.318 -4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.688 5.188 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.654 4.578 -4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.650 6.893 -4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 76 15.139 5.188 -4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.836 6.208 -5.330 1.00 0.00 H new ATOM 695 N ASP A 77 16.461 4.122 -7.291 1.00 0.00 N ATOM 696 CA ASP A 77 17.712 4.378 -8.015 1.00 0.00 C ATOM 697 C ASP A 77 17.620 4.207 -9.540 1.00 0.00 C ATOM 698 O ASP A 77 18.193 4.983 -10.298 1.00 0.00 O ATOM 699 CB ASP A 77 18.788 3.435 -7.436 1.00 0.00 C ATOM 700 CG ASP A 77 18.519 1.945 -7.726 1.00 0.00 C ATOM 701 OD1 ASP A 77 17.405 1.472 -7.398 1.00 0.00 O ATOM 702 OD2 ASP A 77 19.315 1.315 -8.454 1.00 0.00 O1- ATOM 0 H ASP A 77 16.589 3.416 -6.566 1.00 0.00 H new ATOM 0 HA ASP A 77 17.964 5.429 -7.870 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.759 3.708 -7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.847 3.582 -6.358 1.00 0.00 H new ATOM 707 N GLN A 78 16.802 3.258 -10.000 1.00 0.00 N ATOM 708 CA GLN A 78 16.586 2.988 -11.430 1.00 0.00 C ATOM 709 C GLN A 78 15.477 3.871 -12.042 1.00 0.00 C ATOM 710 O GLN A 78 15.005 3.593 -13.147 1.00 0.00 O ATOM 711 CB GLN A 78 16.255 1.497 -11.647 1.00 0.00 C ATOM 712 CG GLN A 78 17.227 0.540 -10.947 1.00 0.00 C ATOM 713 CD GLN A 78 16.812 -0.923 -11.028 1.00 0.00 C ATOM 714 OE1 GLN A 78 16.410 -1.478 -12.043 1.00 0.00 O ATOM 715 NE2 GLN A 78 16.770 -1.598 -9.902 1.00 0.00 N ATOM 0 H GLN A 78 16.263 2.647 -9.386 1.00 0.00 H new ATOM 0 HA GLN A 78 17.514 3.237 -11.944 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.245 1.302 -11.286 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.258 1.285 -12.716 1.00 0.00 H new ATOM 0 HG2 GLN A 78 18.216 0.653 -11.391 1.00 0.00 H new ATOM 0 HG3 GLN A 78 17.313 0.826 -9.899 1.00 0.00 H new ATOM 0 HE21 GLN A 78 17.097 -1.168 -9.037 1.00 0.00 H new ATOM 0 HE22 GLN A 78 16.411 -2.553 -9.893 1.00 0.00 H new ATOM 724 N TYR A 79 14.916 4.805 -11.269 1.00 0.00 N ATOM 725 CA TYR A 79 13.649 5.477 -11.554 1.00 0.00 C ATOM 726 C TYR A 79 13.739 7.003 -11.412 1.00 0.00 C ATOM 727 O TYR A 79 14.769 7.585 -11.105 1.00 0.00 O ATOM 728 CB TYR A 79 12.536 4.885 -10.665 1.00 0.00 C ATOM 729 CG TYR A 79 11.997 3.558 -11.152 1.00 0.00 C ATOM 730 CD1 TYR A 79 12.580 2.354 -10.713 1.00 0.00 C ATOM 731 CD2 TYR A 79 10.895 3.532 -12.031 1.00 0.00 C ATOM 732 CE1 TYR A 79 12.066 1.122 -11.159 1.00 0.00 C ATOM 733 CE2 TYR A 79 10.375 2.301 -12.472 1.00 0.00 C ATOM 734 CZ TYR A 79 10.961 1.095 -12.038 1.00 0.00 C ATOM 735 OH TYR A 79 10.443 -0.086 -12.464 1.00 0.00 O ATOM 0 H TYR A 79 15.346 5.123 -10.401 1.00 0.00 H new ATOM 0 HA TYR A 79 13.402 5.295 -12.600 1.00 0.00 H new ATOM 0 HB2 TYR A 79 12.922 4.759 -9.654 1.00 0.00 H new ATOM 0 HB3 TYR A 79 11.715 5.599 -10.606 1.00 0.00 H new ATOM 0 HD1 TYR A 79 13.420 2.376 -10.035 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.450 4.457 -12.366 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.517 0.198 -10.829 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.528 2.280 -13.142 1.00 0.00 H new ATOM 0 HH TYR A 79 9.686 0.086 -13.062 1.00 0.00 H new ATOM 745 N ASN A 80 12.659 7.655 -11.839 1.00 0.00 N ATOM 746 CA ASN A 80 12.543 9.108 -11.993 1.00 0.00 C ATOM 747 C ASN A 80 11.085 9.604 -11.842 1.00 0.00 C ATOM 748 O ASN A 80 10.779 10.747 -12.163 1.00 0.00 O ATOM 749 CB ASN A 80 13.117 9.476 -13.379 1.00 0.00 C ATOM 750 CG ASN A 80 12.337 8.863 -14.535 1.00 0.00 C ATOM 751 OD1 ASN A 80 11.451 9.453 -15.123 1.00 0.00 O ATOM 752 ND2 ASN A 80 12.491 7.587 -14.801 1.00 0.00 N ATOM 0 H ASN A 80 11.803 7.166 -12.099 1.00 0.00 H new ATOM 0 HA ASN A 80 13.104 9.602 -11.200 1.00 0.00 H new ATOM 0 HB2 ASN A 80 13.121 10.561 -13.487 1.00 0.00 H new ATOM 0 HB3 ASN A 80 14.155 9.146 -13.434 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.880 7.130 -15.478 1.00 0.00 H new ATOM 0 HD22 ASN A 80 13.222 7.053 -14.331 1.00 0.00 H new ATOM 759 N ASN A 81 10.146 8.688 -11.576 1.00 0.00 N ATOM 760 CA ASN A 81 8.706 8.929 -11.640 1.00 0.00 C ATOM 761 C ASN A 81 7.952 7.927 -10.759 1.00 0.00 C ATOM 762 O ASN A 81 8.115 6.714 -10.909 1.00 0.00 O ATOM 763 CB ASN A 81 8.224 8.783 -13.097 1.00 0.00 C ATOM 764 CG ASN A 81 8.166 10.107 -13.831 1.00 0.00 C ATOM 765 OD1 ASN A 81 7.272 10.894 -13.578 1.00 0.00 O ATOM 766 ND2 ASN A 81 8.791 10.195 -14.979 1.00 0.00 N ATOM 0 H ASN A 81 10.377 7.733 -11.303 1.00 0.00 H new ATOM 0 HA ASN A 81 8.506 9.938 -11.279 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.892 8.106 -13.630 1.00 0.00 H new ATOM 0 HB3 ASN A 81 7.235 8.325 -13.104 1.00 0.00 H new ATOM 0 HD21 ASN A 81 8.527 10.917 -15.649 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.542 9.542 -15.202 1.00 0.00 H new ATOM 773 N GLN A 82 6.964 8.434 -10.020 1.00 0.00 N ATOM 774 CA GLN A 82 6.198 7.648 -9.053 1.00 0.00 C ATOM 775 C GLN A 82 5.199 6.661 -9.692 1.00 0.00 C ATOM 776 O GLN A 82 5.324 5.469 -9.459 1.00 0.00 O ATOM 777 CB GLN A 82 5.544 8.614 -8.047 1.00 0.00 C ATOM 778 CG GLN A 82 4.441 9.494 -8.661 1.00 0.00 C ATOM 779 CD GLN A 82 4.128 10.742 -7.851 1.00 0.00 C ATOM 780 OE1 GLN A 82 4.988 11.547 -7.551 1.00 0.00 O ATOM 781 NE2 GLN A 82 2.872 11.012 -7.582 1.00 0.00 N ATOM 0 H GLN A 82 6.671 9.409 -10.077 1.00 0.00 H new ATOM 0 HA GLN A 82 6.886 6.989 -8.523 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.120 8.037 -7.225 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.314 9.257 -7.621 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.743 9.791 -9.665 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.532 8.902 -8.764 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.142 10.344 -7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.626 11.890 -7.126 1.00 0.00 H new ATOM 790 N ASN A 83 4.283 7.084 -10.576 1.00 0.00 N ATOM 791 CA ASN A 83 3.074 6.292 -10.900 1.00 0.00 C ATOM 792 C ASN A 83 3.362 4.860 -11.410 1.00 0.00 C ATOM 793 O ASN A 83 2.755 3.893 -10.953 1.00 0.00 O ATOM 794 CB ASN A 83 2.214 7.072 -11.918 1.00 0.00 C ATOM 795 CG ASN A 83 1.735 8.429 -11.418 1.00 0.00 C ATOM 796 OD1 ASN A 83 1.639 8.691 -10.235 1.00 0.00 O ATOM 797 ND2 ASN A 83 1.646 9.409 -12.284 1.00 0.00 N ATOM 0 H ASN A 83 4.351 7.967 -11.081 1.00 0.00 H new ATOM 0 HA ASN A 83 2.533 6.153 -9.964 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.792 7.217 -12.830 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.346 6.468 -12.183 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.500 10.365 -11.959 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.723 9.216 -13.283 1.00 0.00 H new ATOM 804 N ASN A 84 4.375 4.705 -12.268 1.00 0.00 N ATOM 805 CA ASN A 84 4.785 3.411 -12.828 1.00 0.00 C ATOM 806 C ASN A 84 5.455 2.494 -11.786 1.00 0.00 C ATOM 807 O ASN A 84 5.006 1.370 -11.568 1.00 0.00 O ATOM 808 CB ASN A 84 5.723 3.687 -14.016 1.00 0.00 C ATOM 809 CG ASN A 84 4.997 4.408 -15.136 1.00 0.00 C ATOM 810 OD1 ASN A 84 4.027 3.920 -15.682 1.00 0.00 O ATOM 811 ND2 ASN A 84 5.311 5.660 -15.383 1.00 0.00 N ATOM 0 H ASN A 84 4.942 5.486 -12.599 1.00 0.00 H new ATOM 0 HA ASN A 84 3.898 2.871 -13.159 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.569 4.288 -13.682 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.128 2.746 -14.389 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.743 6.211 -16.027 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.123 6.081 -14.931 1.00 0.00 H new ATOM 818 N PHE A 85 6.411 3.037 -11.028 1.00 0.00 N ATOM 819 CA PHE A 85 7.041 2.388 -9.874 1.00 0.00 C ATOM 820 C PHE A 85 6.010 1.970 -8.817 1.00 0.00 C ATOM 821 O PHE A 85 6.040 0.862 -8.282 1.00 0.00 O ATOM 822 CB PHE A 85 8.026 3.412 -9.293 1.00 0.00 C ATOM 823 CG PHE A 85 8.706 3.043 -7.993 1.00 0.00 C ATOM 824 CD1 PHE A 85 8.015 3.099 -6.762 1.00 0.00 C ATOM 825 CD2 PHE A 85 10.082 2.775 -8.005 1.00 0.00 C ATOM 826 CE1 PHE A 85 8.704 2.910 -5.552 1.00 0.00 C ATOM 827 CE2 PHE A 85 10.773 2.622 -6.799 1.00 0.00 C ATOM 828 CZ PHE A 85 10.093 2.708 -5.574 1.00 0.00 C ATOM 0 H PHE A 85 6.780 3.971 -11.206 1.00 0.00 H new ATOM 0 HA PHE A 85 7.544 1.471 -10.181 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.798 3.601 -10.039 1.00 0.00 H new ATOM 0 HB3 PHE A 85 7.492 4.350 -9.142 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.952 3.288 -6.751 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.608 2.687 -8.944 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.170 2.920 -4.613 1.00 0.00 H new ATOM 0 HE2 PHE A 85 11.837 2.436 -6.810 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.639 2.619 -4.647 1.00 0.00 H new ATOM 838 N VAL A 86 5.073 2.870 -8.530 1.00 0.00 N ATOM 839 CA VAL A 86 4.028 2.718 -7.521 1.00 0.00 C ATOM 840 C VAL A 86 3.032 1.636 -7.914 1.00 0.00 C ATOM 841 O VAL A 86 2.726 0.803 -7.064 1.00 0.00 O ATOM 842 CB VAL A 86 3.345 4.071 -7.272 1.00 0.00 C ATOM 843 CG1 VAL A 86 2.040 3.929 -6.489 1.00 0.00 C ATOM 844 CG2 VAL A 86 4.302 4.980 -6.488 1.00 0.00 C ATOM 0 H VAL A 86 5.019 3.765 -9.016 1.00 0.00 H new ATOM 0 HA VAL A 86 4.484 2.392 -6.586 1.00 0.00 H new ATOM 0 HB VAL A 86 3.103 4.502 -8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.597 4.913 -6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.347 3.300 -7.048 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.245 3.472 -5.521 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.824 5.943 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.548 4.513 -5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.215 5.131 -7.065 1.00 0.00 H new ATOM 854 N HIS A 87 2.742 1.480 -9.212 1.00 0.00 N ATOM 855 CA HIS A 87 1.982 0.342 -9.736 1.00 0.00 C ATOM 856 C HIS A 87 2.655 -1.005 -9.444 1.00 0.00 C ATOM 857 O HIS A 87 2.006 -1.910 -8.923 1.00 0.00 O ATOM 858 CB HIS A 87 1.738 0.528 -11.238 1.00 0.00 C ATOM 859 CG HIS A 87 0.738 -0.464 -11.772 1.00 0.00 C ATOM 860 ND1 HIS A 87 0.987 -1.454 -12.704 1.00 0.00 N ATOM 861 CD2 HIS A 87 -0.573 -0.552 -11.395 1.00 0.00 C ATOM 862 CE1 HIS A 87 -0.172 -2.119 -12.913 1.00 0.00 C ATOM 863 NE2 HIS A 87 -1.129 -1.595 -12.112 1.00 0.00 N ATOM 0 H HIS A 87 3.030 2.144 -9.930 1.00 0.00 H new ATOM 0 HA HIS A 87 1.023 0.318 -9.218 1.00 0.00 H new ATOM 0 HB2 HIS A 87 1.380 1.540 -11.425 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.680 0.419 -11.775 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -1.078 0.074 -10.674 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.311 -2.935 -13.606 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -2.095 -1.915 -12.048 1.00 0.00 H new ATOM 872 N ASP A 88 3.965 -1.121 -9.657 1.00 0.00 N ATOM 873 CA ASP A 88 4.714 -2.325 -9.270 1.00 0.00 C ATOM 874 C ASP A 88 4.758 -2.522 -7.747 1.00 0.00 C ATOM 875 O ASP A 88 4.572 -3.641 -7.270 1.00 0.00 O ATOM 876 CB ASP A 88 6.137 -2.292 -9.850 1.00 0.00 C ATOM 877 CG ASP A 88 6.226 -2.852 -11.276 1.00 0.00 C ATOM 878 OD1 ASP A 88 5.159 -2.922 -11.935 1.00 0.00 O ATOM 879 OD2 ASP A 88 7.237 -3.565 -11.484 1.00 0.00 O1- ATOM 0 H ASP A 88 4.534 -0.397 -10.096 1.00 0.00 H new ATOM 0 HA ASP A 88 4.181 -3.178 -9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.499 -1.264 -9.848 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.800 -2.864 -9.201 1.00 0.00 H new ATOM 884 N CYS A 89 4.874 -1.434 -6.981 1.00 0.00 N ATOM 885 CA CYS A 89 4.923 -1.451 -5.520 1.00 0.00 C ATOM 886 C CYS A 89 3.617 -1.947 -4.863 1.00 0.00 C ATOM 887 O CYS A 89 3.646 -2.830 -3.996 1.00 0.00 O ATOM 888 CB CYS A 89 5.284 -0.037 -5.048 1.00 0.00 C ATOM 889 SG CYS A 89 5.555 -0.042 -3.257 1.00 0.00 S ATOM 0 H CYS A 89 4.938 -0.494 -7.372 1.00 0.00 H new ATOM 0 HA CYS A 89 5.680 -2.170 -5.207 1.00 0.00 H new ATOM 0 HB2 CYS A 89 6.181 0.310 -5.560 1.00 0.00 H new ATOM 0 HB3 CYS A 89 4.483 0.657 -5.302 1.00 0.00 H new ATOM 0 HG CYS A 89 4.904 0.945 -2.717 1.00 0.00 H new ATOM 895 N VAL A 90 2.463 -1.427 -5.303 1.00 0.00 N ATOM 896 CA VAL A 90 1.144 -1.906 -4.856 1.00 0.00 C ATOM 897 C VAL A 90 0.906 -3.352 -5.289 1.00 0.00 C ATOM 898 O VAL A 90 0.629 -4.192 -4.430 1.00 0.00 O ATOM 899 CB VAL A 90 -0.002 -0.953 -5.277 1.00 0.00 C ATOM 900 CG1 VAL A 90 -0.217 -0.824 -6.785 1.00 0.00 C ATOM 901 CG2 VAL A 90 -1.357 -1.366 -4.702 1.00 0.00 C ATOM 0 H VAL A 90 2.415 -0.664 -5.978 1.00 0.00 H new ATOM 0 HA VAL A 90 1.144 -1.899 -3.766 1.00 0.00 H new ATOM 0 HB VAL A 90 0.340 0.000 -4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.040 -0.136 -6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.692 -0.442 -7.251 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.456 -1.802 -7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.121 -0.662 -5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.611 -2.367 -5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.306 -1.364 -3.613 1.00 0.00 H new ATOM 911 N ASN A 91 1.314 -3.707 -6.514 1.00 0.00 N ATOM 912 CA ASN A 91 1.217 -5.072 -7.027 1.00 0.00 C ATOM 913 C ASN A 91 1.975 -6.091 -6.164 1.00 0.00 C ATOM 914 O ASN A 91 1.385 -7.103 -5.786 1.00 0.00 O ATOM 915 CB ASN A 91 1.720 -5.135 -8.481 1.00 0.00 C ATOM 916 CG ASN A 91 0.771 -4.546 -9.505 1.00 0.00 C ATOM 917 OD1 ASN A 91 -0.424 -4.435 -9.315 1.00 0.00 O ATOM 918 ND2 ASN A 91 1.227 -4.412 -10.728 1.00 0.00 N ATOM 0 H ASN A 91 1.722 -3.049 -7.178 1.00 0.00 H new ATOM 0 HA ASN A 91 0.162 -5.345 -6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.673 -4.610 -8.545 1.00 0.00 H new ATOM 0 HB3 ASN A 91 1.912 -6.176 -8.740 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.582 -4.219 -11.494 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.226 -4.501 -10.912 1.00 0.00 H new ATOM 925 N ILE A 92 3.264 -5.880 -5.854 1.00 0.00 N ATOM 926 CA ILE A 92 4.034 -6.881 -5.093 1.00 0.00 C ATOM 927 C ILE A 92 3.552 -7.013 -3.640 1.00 0.00 C ATOM 928 O ILE A 92 3.425 -8.145 -3.159 1.00 0.00 O ATOM 929 CB ILE A 92 5.567 -6.673 -5.204 1.00 0.00 C ATOM 930 CG1 ILE A 92 6.394 -7.754 -4.466 1.00 0.00 C ATOM 931 CG2 ILE A 92 6.023 -5.303 -4.695 1.00 0.00 C ATOM 932 CD1 ILE A 92 6.129 -9.187 -4.943 1.00 0.00 C ATOM 0 H ILE A 92 3.788 -5.044 -6.111 1.00 0.00 H new ATOM 0 HA ILE A 92 3.832 -7.842 -5.566 1.00 0.00 H new ATOM 0 HB ILE A 92 5.757 -6.749 -6.275 1.00 0.00 H new ATOM 0 HG12 ILE A 92 7.454 -7.532 -4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 92 6.179 -7.693 -3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.105 -5.218 -4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.540 -4.519 -5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.750 -5.195 -3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.749 -9.880 -4.374 1.00 0.00 H new ATOM 0 HD12 ILE A 92 5.078 -9.432 -4.792 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.372 -9.269 -6.002 1.00 0.00 H new ATOM 944 N THR A 93 3.154 -5.916 -2.974 1.00 0.00 N ATOM 945 CA THR A 93 2.645 -6.026 -1.596 1.00 0.00 C ATOM 946 C THR A 93 1.268 -6.675 -1.546 1.00 0.00 C ATOM 947 O THR A 93 1.079 -7.614 -0.773 1.00 0.00 O ATOM 948 CB THR A 93 2.658 -4.699 -0.819 1.00 0.00 C ATOM 949 OG1 THR A 93 2.950 -5.015 0.520 1.00 0.00 O ATOM 950 CG2 THR A 93 1.354 -3.907 -0.778 1.00 0.00 C ATOM 0 H THR A 93 3.173 -4.969 -3.353 1.00 0.00 H new ATOM 0 HA THR A 93 3.351 -6.682 -1.086 1.00 0.00 H new ATOM 0 HB THR A 93 3.381 -4.072 -1.341 1.00 0.00 H new ATOM 0 HG1 THR A 93 2.350 -4.515 1.112 1.00 0.00 H new ATOM 0 HG21 THR A 93 1.500 -2.995 -0.200 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.053 -3.649 -1.793 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.576 -4.511 -0.312 1.00 0.00 H new ATOM 958 N ILE A 94 0.351 -6.304 -2.451 1.00 0.00 N ATOM 959 CA ILE A 94 -0.972 -6.929 -2.538 1.00 0.00 C ATOM 960 C ILE A 94 -0.815 -8.406 -2.896 1.00 0.00 C ATOM 961 O ILE A 94 -1.270 -9.246 -2.124 1.00 0.00 O ATOM 962 CB ILE A 94 -1.908 -6.159 -3.505 1.00 0.00 C ATOM 963 CG1 ILE A 94 -2.270 -4.791 -2.871 1.00 0.00 C ATOM 964 CG2 ILE A 94 -3.182 -6.968 -3.820 1.00 0.00 C ATOM 965 CD1 ILE A 94 -3.330 -3.981 -3.631 1.00 0.00 C ATOM 0 H ILE A 94 0.506 -5.567 -3.138 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.461 -6.876 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.388 -6.000 -4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.625 -4.962 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.363 -4.192 -2.795 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.815 -6.399 -4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.906 -7.914 -4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.726 -7.164 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.514 -3.042 -3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.974 -3.772 -4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.256 -4.554 -3.685 1.00 0.00 H new ATOM 977 N LYS A 95 0.018 -8.756 -3.885 1.00 0.00 N ATOM 978 CA LYS A 95 0.247 -10.151 -4.297 1.00 0.00 C ATOM 979 C LYS A 95 0.729 -11.048 -3.161 1.00 0.00 C ATOM 980 O LYS A 95 0.193 -12.136 -2.991 1.00 0.00 O ATOM 981 CB LYS A 95 1.248 -10.182 -5.461 1.00 0.00 C ATOM 982 CG LYS A 95 1.488 -11.582 -6.047 1.00 0.00 C ATOM 983 CD LYS A 95 0.194 -12.180 -6.627 1.00 0.00 C ATOM 984 CE LYS A 95 0.448 -13.316 -7.625 1.00 0.00 C ATOM 985 NZ LYS A 95 1.158 -12.833 -8.837 1.00 0.00 N1+ ATOM 0 H LYS A 95 0.555 -8.078 -4.425 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.716 -10.553 -4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.888 -9.526 -6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 95 2.200 -9.776 -5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.246 -11.526 -6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.878 -12.240 -5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.424 -12.554 -5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.374 -11.391 -7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.037 -14.097 -7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.502 -13.766 -7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.033 -13.518 -9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.768 -11.913 -9.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.171 -12.729 -8.627 1.00 0.00 H new ATOM 999 N GLN A 96 1.777 -10.645 -2.443 1.00 0.00 N ATOM 1000 CA GLN A 96 2.312 -11.455 -1.346 1.00 0.00 C ATOM 1001 C GLN A 96 1.372 -11.441 -0.137 1.00 0.00 C ATOM 1002 O GLN A 96 0.979 -12.492 0.360 1.00 0.00 O ATOM 1003 CB GLN A 96 3.711 -10.944 -0.961 1.00 0.00 C ATOM 1004 CG GLN A 96 4.779 -11.320 -2.004 1.00 0.00 C ATOM 1005 CD GLN A 96 5.129 -12.809 -2.026 1.00 0.00 C ATOM 1006 OE1 GLN A 96 4.709 -13.608 -1.213 1.00 0.00 O ATOM 1007 NE2 GLN A 96 5.914 -13.261 -2.978 1.00 0.00 N ATOM 0 H GLN A 96 2.271 -9.767 -2.599 1.00 0.00 H new ATOM 0 HA GLN A 96 2.392 -12.489 -1.682 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.681 -9.860 -0.850 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.992 -11.357 0.008 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.427 -11.025 -2.992 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.685 -10.747 -1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 96 6.286 -12.620 -3.679 1.00 0.00 H new ATOM 0 HE22 GLN A 96 6.151 -14.252 -3.016 1.00 0.00 H new ATOM 1016 N HIS A 97 0.904 -10.261 0.278 1.00 0.00 N ATOM 1017 CA HIS A 97 0.178 -10.110 1.540 1.00 0.00 C ATOM 1018 C HIS A 97 -1.276 -10.599 1.463 1.00 0.00 C ATOM 1019 O HIS A 97 -1.769 -11.102 2.469 1.00 0.00 O ATOM 1020 CB HIS A 97 0.295 -8.650 2.002 1.00 0.00 C ATOM 1021 CG HIS A 97 0.273 -8.434 3.501 1.00 0.00 C ATOM 1022 ND1 HIS A 97 1.132 -7.595 4.188 1.00 0.00 N ATOM 1023 CD2 HIS A 97 -0.579 -8.986 4.422 1.00 0.00 C ATOM 1024 CE1 HIS A 97 0.817 -7.652 5.498 1.00 0.00 C ATOM 1025 NE2 HIS A 97 -0.226 -8.489 5.661 1.00 0.00 N ATOM 0 H HIS A 97 1.016 -9.393 -0.245 1.00 0.00 H new ATOM 0 HA HIS A 97 0.636 -10.757 2.288 1.00 0.00 H new ATOM 0 HB2 HIS A 97 1.223 -8.236 1.607 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -0.522 -8.081 1.559 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.379 -9.682 4.216 1.00 0.00 H new ATOM 0 HE1 HIS A 97 1.319 -7.114 6.288 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -0.677 -8.716 6.547 1.00 0.00 H new ATOM 1034 N THR A 98 -1.940 -10.546 0.303 1.00 0.00 N ATOM 1035 CA THR A 98 -3.241 -11.223 0.105 1.00 0.00 C ATOM 1036 C THR A 98 -3.108 -12.734 0.271 1.00 0.00 C ATOM 1037 O THR A 98 -3.700 -13.263 1.201 1.00 0.00 O ATOM 1038 CB THR A 98 -3.916 -10.920 -1.240 1.00 0.00 C ATOM 1039 OG1 THR A 98 -3.035 -11.172 -2.306 1.00 0.00 O ATOM 1040 CG2 THR A 98 -4.399 -9.472 -1.309 1.00 0.00 C ATOM 0 H THR A 98 -1.603 -10.043 -0.518 1.00 0.00 H new ATOM 0 HA THR A 98 -3.886 -10.812 0.881 1.00 0.00 H new ATOM 0 HB THR A 98 -4.781 -11.578 -1.324 1.00 0.00 H new ATOM 0 HG1 THR A 98 -2.322 -10.499 -2.308 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.872 -9.292 -2.274 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.120 -9.291 -0.512 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.550 -8.799 -1.190 1.00 0.00 H new ATOM 1048 N VAL A 99 -2.094 -13.355 -0.344 1.00 0.00 N ATOM 1049 CA VAL A 99 -1.769 -14.778 -0.123 1.00 0.00 C ATOM 1050 C VAL A 99 -1.459 -15.078 1.354 1.00 0.00 C ATOM 1051 O VAL A 99 -2.092 -15.962 1.924 1.00 0.00 O ATOM 1052 CB VAL A 99 -0.624 -15.236 -1.051 1.00 0.00 C ATOM 1053 CG1 VAL A 99 -0.211 -16.691 -0.799 1.00 0.00 C ATOM 1054 CG2 VAL A 99 -1.031 -15.137 -2.529 1.00 0.00 C ATOM 0 H VAL A 99 -1.474 -12.891 -1.008 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.656 -15.357 -0.379 1.00 0.00 H new ATOM 0 HB VAL A 99 0.211 -14.571 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.597 -16.963 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.128 -16.800 0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.065 -17.347 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.203 -15.467 -3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.899 -15.771 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.280 -14.103 -2.769 1.00 0.00 H new ATOM 1064 N THR A 100 -0.642 -14.252 2.024 1.00 0.00 N ATOM 1065 CA THR A 100 -0.334 -14.377 3.466 1.00 0.00 C ATOM 1066 C THR A 100 -1.565 -14.293 4.376 1.00 0.00 C ATOM 1067 O THR A 100 -1.557 -14.876 5.458 1.00 0.00 O ATOM 1068 CB THR A 100 0.643 -13.272 3.917 1.00 0.00 C ATOM 1069 OG1 THR A 100 1.800 -13.238 3.119 1.00 0.00 O ATOM 1070 CG2 THR A 100 1.148 -13.406 5.355 1.00 0.00 C ATOM 0 H THR A 100 -0.168 -13.466 1.578 1.00 0.00 H new ATOM 0 HA THR A 100 0.104 -15.370 3.569 1.00 0.00 H new ATOM 0 HB THR A 100 0.041 -12.368 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 100 1.575 -12.888 2.232 1.00 0.00 H new ATOM 0 HG21 THR A 100 1.828 -12.584 5.580 1.00 0.00 H new ATOM 0 HG22 THR A 100 0.302 -13.375 6.042 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.674 -14.354 5.469 1.00 0.00 H new ATOM 1078 N THR A 101 -2.531 -13.428 4.055 1.00 0.00 N ATOM 1079 CA THR A 101 -3.667 -13.147 4.948 1.00 0.00 C ATOM 1080 C THR A 101 -4.859 -14.061 4.658 1.00 0.00 C ATOM 1081 O THR A 101 -5.387 -14.662 5.591 1.00 0.00 O ATOM 1082 CB THR A 101 -4.018 -11.647 4.945 1.00 0.00 C ATOM 1083 OG1 THR A 101 -4.653 -11.290 6.147 1.00 0.00 O ATOM 1084 CG2 THR A 101 -4.868 -11.155 3.779 1.00 0.00 C ATOM 0 H THR A 101 -2.552 -12.906 3.179 1.00 0.00 H new ATOM 0 HA THR A 101 -3.366 -13.384 5.969 1.00 0.00 H new ATOM 0 HB THR A 101 -3.052 -11.156 4.831 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.820 -10.324 6.154 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.049 -10.086 3.887 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.343 -11.342 2.842 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.820 -11.685 3.774 1.00 0.00 H new ATOM 1092 N THR A 102 -5.084 -14.429 3.394 1.00 0.00 N ATOM 1093 CA THR A 102 -6.073 -15.444 2.998 1.00 0.00 C ATOM 1094 C THR A 102 -5.805 -16.793 3.668 1.00 0.00 C ATOM 1095 O THR A 102 -6.673 -17.315 4.361 1.00 0.00 O ATOM 1096 CB THR A 102 -6.093 -15.595 1.470 1.00 0.00 C ATOM 1097 OG1 THR A 102 -6.423 -14.364 0.869 1.00 0.00 O ATOM 1098 CG2 THR A 102 -7.107 -16.617 0.962 1.00 0.00 C ATOM 0 H THR A 102 -4.579 -14.027 2.604 1.00 0.00 H new ATOM 0 HA THR A 102 -7.052 -15.103 3.336 1.00 0.00 H new ATOM 0 HB THR A 102 -5.093 -15.937 1.204 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.630 -13.789 0.845 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.061 -16.666 -0.126 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.876 -17.597 1.379 1.00 0.00 H new ATOM 0 HG23 THR A 102 -8.109 -16.319 1.269 1.00 0.00 H new ATOM 1106 N THR A 103 -4.543 -17.238 3.716 1.00 0.00 N ATOM 1107 CA THR A 103 -4.163 -18.480 4.420 1.00 0.00 C ATOM 1108 C THR A 103 -4.106 -18.365 5.950 1.00 0.00 C ATOM 1109 O THR A 103 -4.052 -19.391 6.626 1.00 0.00 O ATOM 1110 CB THR A 103 -2.831 -19.035 3.904 1.00 0.00 C ATOM 1111 OG1 THR A 103 -1.797 -18.103 4.103 1.00 0.00 O ATOM 1112 CG2 THR A 103 -2.884 -19.353 2.408 1.00 0.00 C ATOM 0 H THR A 103 -3.760 -16.756 3.274 1.00 0.00 H new ATOM 0 HA THR A 103 -4.974 -19.171 4.191 1.00 0.00 H new ATOM 0 HB THR A 103 -2.642 -19.951 4.464 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.846 -17.408 3.413 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.919 -19.744 2.085 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.658 -20.098 2.221 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.113 -18.445 1.851 1.00 0.00 H new ATOM 1120 N LYS A 104 -4.248 -17.157 6.516 1.00 0.00 N ATOM 1121 CA LYS A 104 -4.536 -16.927 7.945 1.00 0.00 C ATOM 1122 C LYS A 104 -6.042 -16.984 8.267 1.00 0.00 C ATOM 1123 O LYS A 104 -6.390 -17.145 9.435 1.00 0.00 O ATOM 1124 CB LYS A 104 -3.881 -15.593 8.369 1.00 0.00 C ATOM 1125 CG LYS A 104 -4.234 -15.148 9.795 1.00 0.00 C ATOM 1126 CD LYS A 104 -3.435 -13.921 10.238 1.00 0.00 C ATOM 1127 CE LYS A 104 -4.094 -13.363 11.505 1.00 0.00 C ATOM 1128 NZ LYS A 104 -3.248 -12.341 12.165 1.00 0.00 N1+ ATOM 0 H LYS A 104 -4.164 -16.291 5.983 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.103 -17.737 8.531 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.798 -15.690 8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.185 -14.813 7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -5.299 -14.923 9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.046 -15.970 10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.398 -14.192 10.435 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.424 -13.168 9.450 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.059 -12.925 11.249 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.288 -14.178 12.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -3.730 -11.989 13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.337 -12.765 12.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.083 -11.551 11.509 1.00 0.00 H new ATOM 1142 N GLY A 105 -6.921 -16.833 7.273 1.00 0.00 N ATOM 1143 CA GLY A 105 -8.381 -16.889 7.432 1.00 0.00 C ATOM 1144 C GLY A 105 -9.160 -15.762 6.745 1.00 0.00 C ATOM 1145 O GLY A 105 -10.328 -15.573 7.071 1.00 0.00 O ATOM 0 H GLY A 105 -6.632 -16.664 6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -8.736 -17.843 7.042 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.615 -16.873 8.497 1.00 0.00 H new ATOM 1149 N GLU A 106 -8.493 -14.895 5.978 1.00 0.00 N ATOM 1150 CA GLU A 106 -9.140 -13.764 5.299 1.00 0.00 C ATOM 1151 C GLU A 106 -9.833 -14.138 3.978 1.00 0.00 C ATOM 1152 O GLU A 106 -9.471 -15.116 3.324 1.00 0.00 O ATOM 1153 CB GLU A 106 -8.107 -12.645 5.048 1.00 0.00 C ATOM 1154 CG GLU A 106 -8.313 -11.429 5.948 1.00 0.00 C ATOM 1155 CD GLU A 106 -9.720 -10.865 5.752 1.00 0.00 C ATOM 1156 OE1 GLU A 106 -10.047 -10.588 4.582 1.00 0.00 O1- ATOM 1157 OE2 GLU A 106 -10.536 -11.129 6.660 1.00 0.00 O ATOM 0 H GLU A 106 -7.489 -14.956 5.809 1.00 0.00 H new ATOM 0 HA GLU A 106 -9.928 -13.420 5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -7.104 -13.042 5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.165 -12.332 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.167 -11.710 6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.571 -10.665 5.716 1.00 0.00 H new ATOM 1164 N ASN A 107 -10.661 -13.217 3.481 1.00 0.00 N ATOM 1165 CA ASN A 107 -11.171 -13.203 2.114 1.00 0.00 C ATOM 1166 C ASN A 107 -11.469 -11.748 1.719 1.00 0.00 C ATOM 1167 O ASN A 107 -12.581 -11.253 1.919 1.00 0.00 O ATOM 1168 CB ASN A 107 -12.402 -14.122 1.991 1.00 0.00 C ATOM 1169 CG ASN A 107 -12.947 -14.163 0.572 1.00 0.00 C ATOM 1170 OD1 ASN A 107 -12.643 -15.048 -0.208 1.00 0.00 O ATOM 1171 ND2 ASN A 107 -13.672 -13.152 0.158 1.00 0.00 N ATOM 0 H ASN A 107 -11.005 -12.436 4.040 1.00 0.00 H new ATOM 0 HA ASN A 107 -10.428 -13.597 1.421 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -12.133 -15.131 2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -13.182 -13.775 2.668 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -13.979 -13.109 -0.814 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -13.929 -12.409 0.808 1.00 0.00 H new ATOM 1178 N PHE A 108 -10.477 -11.087 1.122 1.00 0.00 N ATOM 1179 CA PHE A 108 -10.634 -9.752 0.549 1.00 0.00 C ATOM 1180 C PHE A 108 -11.776 -9.703 -0.484 1.00 0.00 C ATOM 1181 O PHE A 108 -12.011 -10.655 -1.231 1.00 0.00 O ATOM 1182 CB PHE A 108 -9.292 -9.294 -0.055 1.00 0.00 C ATOM 1183 CG PHE A 108 -8.735 -10.195 -1.148 1.00 0.00 C ATOM 1184 CD1 PHE A 108 -9.096 -9.974 -2.491 1.00 0.00 C ATOM 1185 CD2 PHE A 108 -7.891 -11.277 -0.826 1.00 0.00 C ATOM 1186 CE1 PHE A 108 -8.629 -10.831 -3.503 1.00 0.00 C ATOM 1187 CE2 PHE A 108 -7.432 -12.140 -1.838 1.00 0.00 C ATOM 1188 CZ PHE A 108 -7.802 -11.919 -3.176 1.00 0.00 C ATOM 0 H PHE A 108 -9.536 -11.467 1.022 1.00 0.00 H new ATOM 0 HA PHE A 108 -10.915 -9.060 1.343 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -9.418 -8.291 -0.462 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.556 -9.223 0.746 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -9.735 -9.141 -2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.596 -11.444 0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -8.906 -10.653 -4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -6.794 -12.974 -1.586 1.00 0.00 H new ATOM 0 HZ PHE A 108 -7.451 -12.584 -3.951 1.00 0.00 H new ATOM 1198 N THR A 109 -12.367 -8.523 -0.638 1.00 0.00 N ATOM 1199 CA THR A 109 -13.368 -8.197 -1.663 1.00 0.00 C ATOM 1200 C THR A 109 -12.888 -7.011 -2.499 1.00 0.00 C ATOM 1201 O THR A 109 -11.910 -6.365 -2.133 1.00 0.00 O ATOM 1202 CB THR A 109 -14.725 -7.874 -1.012 1.00 0.00 C ATOM 1203 OG1 THR A 109 -14.681 -6.650 -0.315 1.00 0.00 O ATOM 1204 CG2 THR A 109 -15.204 -8.947 -0.034 1.00 0.00 C ATOM 0 H THR A 109 -12.157 -7.731 -0.030 1.00 0.00 H new ATOM 0 HA THR A 109 -13.497 -9.063 -2.313 1.00 0.00 H new ATOM 0 HB THR A 109 -15.427 -7.824 -1.845 1.00 0.00 H new ATOM 0 HG1 THR A 109 -14.338 -6.801 0.591 1.00 0.00 H new ATOM 0 HG21 THR A 109 -16.166 -8.653 0.386 1.00 0.00 H new ATOM 0 HG22 THR A 109 -15.312 -9.896 -0.559 1.00 0.00 H new ATOM 0 HG23 THR A 109 -14.476 -9.058 0.769 1.00 0.00 H new ATOM 1212 N GLU A 110 -13.619 -6.622 -3.548 1.00 0.00 N ATOM 1213 CA GLU A 110 -13.365 -5.355 -4.258 1.00 0.00 C ATOM 1214 C GLU A 110 -13.394 -4.130 -3.325 1.00 0.00 C ATOM 1215 O GLU A 110 -12.617 -3.198 -3.518 1.00 0.00 O ATOM 1216 CB GLU A 110 -14.389 -5.161 -5.387 1.00 0.00 C ATOM 1217 CG GLU A 110 -14.227 -6.173 -6.534 1.00 0.00 C ATOM 1218 CD GLU A 110 -12.869 -6.030 -7.235 1.00 0.00 C ATOM 1219 OE1 GLU A 110 -12.479 -4.898 -7.522 1.00 0.00 O ATOM 1220 OE2 GLU A 110 -12.193 -7.098 -7.375 1.00 0.00 O1- ATOM 0 H GLU A 110 -14.394 -7.165 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.359 -5.428 -4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -15.395 -5.247 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -14.293 -4.151 -5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -14.329 -7.185 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -15.027 -6.030 -7.260 1.00 0.00 H new ATOM 1227 N THR A 111 -14.181 -4.168 -2.243 1.00 0.00 N ATOM 1228 CA THR A 111 -14.179 -3.128 -1.204 1.00 0.00 C ATOM 1229 C THR A 111 -12.843 -3.090 -0.464 1.00 0.00 C ATOM 1230 O THR A 111 -12.195 -2.047 -0.437 1.00 0.00 O ATOM 1231 CB THR A 111 -15.308 -3.349 -0.183 1.00 0.00 C ATOM 1232 OG1 THR A 111 -16.520 -3.680 -0.824 1.00 0.00 O ATOM 1233 CG2 THR A 111 -15.589 -2.092 0.637 1.00 0.00 C ATOM 0 H THR A 111 -14.841 -4.924 -2.062 1.00 0.00 H new ATOM 0 HA THR A 111 -14.339 -2.177 -1.712 1.00 0.00 H new ATOM 0 HB THR A 111 -14.966 -4.160 0.460 1.00 0.00 H new ATOM 0 HG1 THR A 111 -17.219 -3.817 -0.151 1.00 0.00 H new ATOM 0 HG21 THR A 111 -16.393 -2.292 1.346 1.00 0.00 H new ATOM 0 HG22 THR A 111 -14.689 -1.804 1.181 1.00 0.00 H new ATOM 0 HG23 THR A 111 -15.886 -1.282 -0.029 1.00 0.00 H new ATOM 1241 N ASP A 112 -12.362 -4.239 0.025 1.00 0.00 N ATOM 1242 CA ASP A 112 -11.063 -4.364 0.701 1.00 0.00 C ATOM 1243 C ASP A 112 -9.899 -4.012 -0.228 1.00 0.00 C ATOM 1244 O ASP A 112 -9.048 -3.209 0.145 1.00 0.00 O ATOM 1245 CB ASP A 112 -10.864 -5.781 1.252 1.00 0.00 C ATOM 1246 CG ASP A 112 -12.005 -6.184 2.178 1.00 0.00 C ATOM 1247 OD1 ASP A 112 -12.065 -5.616 3.286 1.00 0.00 O1- ATOM 1248 OD2 ASP A 112 -12.959 -6.779 1.618 1.00 0.00 O ATOM 0 H ASP A 112 -12.870 -5.121 -0.038 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.071 -3.653 1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -10.798 -6.488 0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -9.919 -5.833 1.793 1.00 0.00 H new ATOM 1253 N ILE A 113 -9.940 -4.470 -1.484 1.00 0.00 N ATOM 1254 CA ILE A 113 -8.986 -4.098 -2.534 1.00 0.00 C ATOM 1255 C ILE A 113 -8.956 -2.584 -2.723 1.00 0.00 C ATOM 1256 O ILE A 113 -7.871 -2.018 -2.697 1.00 0.00 O ATOM 1257 CB ILE A 113 -9.296 -4.814 -3.869 1.00 0.00 C ATOM 1258 CG1 ILE A 113 -9.044 -6.335 -3.758 1.00 0.00 C ATOM 1259 CG2 ILE A 113 -8.423 -4.248 -5.010 1.00 0.00 C ATOM 1260 CD1 ILE A 113 -9.802 -7.142 -4.823 1.00 0.00 C ATOM 0 H ILE A 113 -10.653 -5.124 -1.806 1.00 0.00 H new ATOM 0 HA ILE A 113 -7.998 -4.425 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 113 -10.349 -4.639 -4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -7.976 -6.530 -3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -9.344 -6.677 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -8.658 -4.767 -5.939 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -8.624 -3.183 -5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -7.370 -4.394 -4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -9.587 -8.203 -4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -10.873 -6.973 -4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -9.484 -6.823 -5.816 1.00 0.00 H new ATOM 1272 N LYS A 114 -10.104 -1.903 -2.767 1.00 0.00 N ATOM 1273 CA LYS A 114 -10.157 -0.440 -2.905 1.00 0.00 C ATOM 1274 C LYS A 114 -9.596 0.305 -1.693 1.00 0.00 C ATOM 1275 O LYS A 114 -8.790 1.213 -1.903 1.00 0.00 O ATOM 1276 CB LYS A 114 -11.591 -0.011 -3.243 1.00 0.00 C ATOM 1277 CG LYS A 114 -11.881 -0.339 -4.714 1.00 0.00 C ATOM 1278 CD LYS A 114 -13.383 -0.310 -5.018 1.00 0.00 C ATOM 1279 CE LYS A 114 -13.607 -0.493 -6.521 1.00 0.00 C ATOM 1280 NZ LYS A 114 -13.160 0.712 -7.259 1.00 0.00 N1+ ATOM 0 H LYS A 114 -11.021 -2.345 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.500 -0.158 -3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.300 -0.527 -2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.716 1.057 -3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -11.367 0.377 -5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -11.481 -1.324 -4.952 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -13.891 -1.100 -4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -13.813 0.636 -4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -13.059 -1.367 -6.873 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -14.663 -0.677 -6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -13.582 0.714 -8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -13.460 1.565 -6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -12.123 0.704 -7.341 1.00 0.00 H new ATOM 1294 N ILE A 115 -9.794 -0.185 -0.459 1.00 0.00 N ATOM 1295 CA ILE A 115 -9.084 0.379 0.711 1.00 0.00 C ATOM 1296 C ILE A 115 -7.571 0.145 0.589 1.00 0.00 C ATOM 1297 O ILE A 115 -6.774 1.046 0.853 1.00 0.00 O ATOM 1298 CB ILE A 115 -9.640 -0.033 2.114 1.00 0.00 C ATOM 1299 CG1 ILE A 115 -8.763 -1.060 2.880 1.00 0.00 C ATOM 1300 CG2 ILE A 115 -11.099 -0.507 2.060 1.00 0.00 C ATOM 1301 CD1 ILE A 115 -9.128 -1.340 4.338 1.00 0.00 C ATOM 0 H ILE A 115 -10.426 -0.956 -0.242 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.286 1.450 0.675 1.00 0.00 H new ATOM 0 HB ILE A 115 -9.600 0.893 2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -8.796 -2.004 2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -7.731 -0.711 2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -11.430 -0.780 3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -11.728 0.296 1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.176 -1.374 1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -8.437 -2.074 4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -9.063 -0.416 4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -10.145 -1.730 4.390 1.00 0.00 H new ATOM 1313 N MET A 116 -7.177 -1.082 0.236 1.00 0.00 N ATOM 1314 CA MET A 116 -5.785 -1.515 0.152 1.00 0.00 C ATOM 1315 C MET A 116 -5.041 -0.699 -0.891 1.00 0.00 C ATOM 1316 O MET A 116 -4.123 0.027 -0.539 1.00 0.00 O ATOM 1317 CB MET A 116 -5.710 -3.000 -0.224 1.00 0.00 C ATOM 1318 CG MET A 116 -6.155 -3.928 0.904 1.00 0.00 C ATOM 1319 SD MET A 116 -6.551 -5.644 0.436 1.00 0.00 S ATOM 1320 CE MET A 116 -5.457 -5.934 -0.977 1.00 0.00 C ATOM 0 H MET A 116 -7.839 -1.820 -0.005 1.00 0.00 H new ATOM 0 HA MET A 116 -5.322 -1.365 1.128 1.00 0.00 H new ATOM 0 HB2 MET A 116 -6.333 -3.178 -1.100 1.00 0.00 H new ATOM 0 HB3 MET A 116 -4.686 -3.246 -0.506 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.367 -3.953 1.656 1.00 0.00 H new ATOM 0 HG3 MET A 116 -7.034 -3.492 1.378 1.00 0.00 H new ATOM 0 HE1 MET A 116 -5.580 -6.958 -1.328 1.00 0.00 H new ATOM 0 HE2 MET A 116 -5.709 -5.242 -1.780 1.00 0.00 H new ATOM 0 HE3 MET A 116 -4.422 -5.777 -0.674 1.00 0.00 H new ATOM 1330 N GLU A 117 -5.521 -0.731 -2.128 1.00 0.00 N ATOM 1331 CA GLU A 117 -5.005 -0.019 -3.287 1.00 0.00 C ATOM 1332 C GLU A 117 -4.852 1.475 -3.014 1.00 0.00 C ATOM 1333 O GLU A 117 -3.726 1.952 -3.102 1.00 0.00 O ATOM 1334 CB GLU A 117 -5.919 -0.319 -4.485 1.00 0.00 C ATOM 1335 CG GLU A 117 -5.415 0.282 -5.800 1.00 0.00 C ATOM 1336 CD GLU A 117 -6.237 -0.252 -6.980 1.00 0.00 C ATOM 1337 OE1 GLU A 117 -7.372 0.241 -7.169 1.00 0.00 O1- ATOM 1338 OE2 GLU A 117 -5.747 -1.212 -7.625 1.00 0.00 O ATOM 0 H GLU A 117 -6.338 -1.295 -2.362 1.00 0.00 H new ATOM 0 HA GLU A 117 -3.999 -0.367 -3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -6.012 -1.399 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -6.917 0.067 -4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -5.486 1.369 -5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -4.363 0.036 -5.940 1.00 0.00 H new ATOM 1345 N ARG A 118 -5.837 2.132 -2.375 1.00 0.00 N ATOM 1346 CA ARG A 118 -5.716 3.554 -2.004 1.00 0.00 C ATOM 1347 C ARG A 118 -4.553 3.837 -1.059 1.00 0.00 C ATOM 1348 O ARG A 118 -3.828 4.815 -1.237 1.00 0.00 O ATOM 1349 CB ARG A 118 -7.016 4.068 -1.356 1.00 0.00 C ATOM 1350 CG ARG A 118 -7.312 5.501 -1.799 1.00 0.00 C ATOM 1351 CD ARG A 118 -7.991 5.435 -3.170 1.00 0.00 C ATOM 1352 NE ARG A 118 -7.760 6.653 -3.957 1.00 0.00 N ATOM 1353 CZ ARG A 118 -8.384 6.955 -5.078 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -9.409 6.268 -5.501 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -7.976 7.957 -5.801 1.00 0.00 N1+ ATOM 0 H ARG A 118 -6.722 1.703 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 118 -5.523 4.081 -2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.847 3.418 -1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -6.927 4.029 -0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.958 5.999 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.391 6.081 -1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.616 4.572 -3.719 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -9.063 5.287 -3.037 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.065 7.314 -3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -9.748 5.473 -4.960 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -9.871 6.526 -6.373 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -7.173 8.509 -5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -8.459 8.190 -6.668 1.00 0.00 H new ATOM 1369 N VAL A 119 -4.517 3.124 0.065 1.00 0.00 N ATOM 1370 CA VAL A 119 -3.613 3.462 1.172 1.00 0.00 C ATOM 1371 C VAL A 119 -2.211 2.942 0.895 1.00 0.00 C ATOM 1372 O VAL A 119 -1.234 3.623 1.200 1.00 0.00 O ATOM 1373 CB VAL A 119 -4.108 2.891 2.504 1.00 0.00 C ATOM 1374 CG1 VAL A 119 -3.223 3.413 3.642 1.00 0.00 C ATOM 1375 CG2 VAL A 119 -5.543 3.317 2.827 1.00 0.00 C ATOM 0 H VAL A 119 -5.103 2.307 0.237 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.594 4.549 1.248 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.068 1.806 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -3.574 3.008 4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.192 3.102 3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.273 4.501 3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -5.845 2.885 3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -5.595 4.404 2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -6.212 2.965 2.042 1.00 0.00 H new ATOM 1385 N VAL A 120 -2.116 1.776 0.260 1.00 0.00 N ATOM 1386 CA VAL A 120 -0.877 1.247 -0.295 1.00 0.00 C ATOM 1387 C VAL A 120 -0.344 2.196 -1.365 1.00 0.00 C ATOM 1388 O VAL A 120 0.706 2.751 -1.108 1.00 0.00 O ATOM 1389 CB VAL A 120 -1.061 -0.194 -0.799 1.00 0.00 C ATOM 1390 CG1 VAL A 120 0.154 -0.706 -1.563 1.00 0.00 C ATOM 1391 CG2 VAL A 120 -1.302 -1.158 0.378 1.00 0.00 C ATOM 0 H VAL A 120 -2.917 1.161 0.115 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.124 1.189 0.491 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.922 -0.166 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -0.030 -1.728 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.334 -0.069 -2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 120 1.028 -0.688 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.429 -2.172 -0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -0.447 -1.129 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.200 -0.857 0.917 1.00 0.00 H new ATOM 1401 N GLU A 121 -1.110 2.618 -2.378 1.00 0.00 N ATOM 1402 CA GLU A 121 -0.666 3.595 -3.396 1.00 0.00 C ATOM 1403 C GLU A 121 -0.184 4.930 -2.803 1.00 0.00 C ATOM 1404 O GLU A 121 0.915 5.394 -3.132 1.00 0.00 O ATOM 1405 CB GLU A 121 -1.793 3.841 -4.417 1.00 0.00 C ATOM 1406 CG GLU A 121 -1.435 4.911 -5.455 1.00 0.00 C ATOM 1407 CD GLU A 121 -2.463 4.972 -6.587 1.00 0.00 C ATOM 1408 OE1 GLU A 121 -2.236 4.256 -7.589 1.00 0.00 O1- ATOM 1409 OE2 GLU A 121 -3.370 5.833 -6.496 1.00 0.00 O ATOM 0 H GLU A 121 -2.066 2.292 -2.521 1.00 0.00 H new ATOM 0 HA GLU A 121 0.199 3.153 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -2.022 2.907 -4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.696 4.144 -3.887 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -1.373 5.884 -4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -0.450 4.699 -5.870 1.00 0.00 H new ATOM 1416 N GLN A 122 -0.916 5.472 -1.823 1.00 0.00 N ATOM 1417 CA GLN A 122 -0.494 6.646 -1.056 1.00 0.00 C ATOM 1418 C GLN A 122 0.848 6.408 -0.348 1.00 0.00 C ATOM 1419 O GLN A 122 1.754 7.239 -0.444 1.00 0.00 O ATOM 1420 CB GLN A 122 -1.606 7.012 -0.056 1.00 0.00 C ATOM 1421 CG GLN A 122 -1.243 8.147 0.919 1.00 0.00 C ATOM 1422 CD GLN A 122 -0.924 9.464 0.217 1.00 0.00 C ATOM 1423 OE1 GLN A 122 -1.730 10.004 -0.517 1.00 0.00 O ATOM 1424 NE2 GLN A 122 0.217 10.071 0.459 1.00 0.00 N ATOM 0 H GLN A 122 -1.824 5.104 -1.539 1.00 0.00 H new ATOM 0 HA GLN A 122 -0.335 7.481 -1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -2.497 7.301 -0.613 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -1.865 6.124 0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -2.072 8.303 1.610 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -0.383 7.843 1.516 1.00 0.00 H new ATOM 0 HE21 GLN A 122 0.906 9.635 1.072 1.00 0.00 H new ATOM 0 HE22 GLN A 122 0.413 10.977 0.034 1.00 0.00 H new ATOM 1433 N MET A 123 1.000 5.279 0.348 1.00 0.00 N ATOM 1434 CA MET A 123 2.245 4.886 1.014 1.00 0.00 C ATOM 1435 C MET A 123 3.382 4.614 0.027 1.00 0.00 C ATOM 1436 O MET A 123 4.465 5.136 0.235 1.00 0.00 O ATOM 1437 CB MET A 123 2.009 3.652 1.895 1.00 0.00 C ATOM 1438 CG MET A 123 1.232 3.992 3.165 1.00 0.00 C ATOM 1439 SD MET A 123 2.221 4.816 4.446 1.00 0.00 S ATOM 1440 CE MET A 123 1.137 6.216 4.808 1.00 0.00 C ATOM 0 H MET A 123 0.248 4.600 0.467 1.00 0.00 H new ATOM 0 HA MET A 123 2.552 5.728 1.634 1.00 0.00 H new ATOM 0 HB2 MET A 123 1.462 2.900 1.326 1.00 0.00 H new ATOM 0 HB3 MET A 123 2.969 3.211 2.165 1.00 0.00 H new ATOM 0 HG2 MET A 123 0.391 4.634 2.902 1.00 0.00 H new ATOM 0 HG3 MET A 123 0.815 3.074 3.579 1.00 0.00 H new ATOM 0 HE1 MET A 123 1.289 6.537 5.839 1.00 0.00 H new ATOM 0 HE2 MET A 123 1.370 7.040 4.134 1.00 0.00 H new ATOM 0 HE3 MET A 123 0.098 5.917 4.670 1.00 0.00 H new ATOM 1450 N CYS A 124 3.134 3.959 -1.106 1.00 0.00 N ATOM 1451 CA CYS A 124 4.104 3.713 -2.171 1.00 0.00 C ATOM 1452 C CYS A 124 4.660 5.031 -2.730 1.00 0.00 C ATOM 1453 O CYS A 124 5.872 5.223 -2.761 1.00 0.00 O ATOM 1454 CB CYS A 124 3.415 2.928 -3.297 1.00 0.00 C ATOM 1455 SG CYS A 124 2.737 1.336 -2.753 1.00 0.00 S ATOM 0 H CYS A 124 2.215 3.570 -1.315 1.00 0.00 H new ATOM 0 HA CYS A 124 4.937 3.141 -1.762 1.00 0.00 H new ATOM 0 HB2 CYS A 124 2.610 3.534 -3.713 1.00 0.00 H new ATOM 0 HB3 CYS A 124 4.131 2.754 -4.100 1.00 0.00 H new ATOM 0 HG CYS A 124 3.550 0.380 -3.092 1.00 0.00 H new ATOM 1461 N THR A 125 3.775 5.985 -3.037 1.00 0.00 N ATOM 1462 CA THR A 125 4.135 7.334 -3.505 1.00 0.00 C ATOM 1463 C THR A 125 4.856 8.152 -2.424 1.00 0.00 C ATOM 1464 O THR A 125 5.848 8.817 -2.705 1.00 0.00 O ATOM 1465 CB THR A 125 2.871 8.077 -3.974 1.00 0.00 C ATOM 1466 OG1 THR A 125 2.243 7.356 -5.009 1.00 0.00 O ATOM 1467 CG2 THR A 125 3.172 9.459 -4.544 1.00 0.00 C ATOM 0 H THR A 125 2.768 5.842 -2.967 1.00 0.00 H new ATOM 0 HA THR A 125 4.828 7.219 -4.339 1.00 0.00 H new ATOM 0 HB THR A 125 2.241 8.174 -3.090 1.00 0.00 H new ATOM 0 HG1 THR A 125 1.734 6.611 -4.627 1.00 0.00 H new ATOM 0 HG21 THR A 125 2.242 9.934 -4.858 1.00 0.00 H new ATOM 0 HG22 THR A 125 3.652 10.071 -3.780 1.00 0.00 H new ATOM 0 HG23 THR A 125 3.837 9.362 -5.402 1.00 0.00 H new ATOM 1475 N THR A 126 4.461 8.007 -1.156 1.00 0.00 N ATOM 1476 CA THR A 126 5.115 8.687 -0.018 1.00 0.00 C ATOM 1477 C THR A 126 6.498 8.103 0.298 1.00 0.00 C ATOM 1478 O THR A 126 7.422 8.833 0.649 1.00 0.00 O ATOM 1479 CB THR A 126 4.233 8.592 1.237 1.00 0.00 C ATOM 1480 OG1 THR A 126 2.960 9.144 0.988 1.00 0.00 O ATOM 1481 CG2 THR A 126 4.810 9.331 2.442 1.00 0.00 C ATOM 0 H THR A 126 3.677 7.415 -0.882 1.00 0.00 H new ATOM 0 HA THR A 126 5.248 9.729 -0.310 1.00 0.00 H new ATOM 0 HB THR A 126 4.178 7.528 1.468 1.00 0.00 H new ATOM 0 HG1 THR A 126 2.445 8.535 0.418 1.00 0.00 H new ATOM 0 HG21 THR A 126 4.137 9.222 3.292 1.00 0.00 H new ATOM 0 HG22 THR A 126 5.784 8.911 2.694 1.00 0.00 H new ATOM 0 HG23 THR A 126 4.922 10.388 2.201 1.00 0.00 H new ATOM 1489 N GLN A 127 6.661 6.783 0.181 1.00 0.00 N ATOM 1490 CA GLN A 127 7.959 6.119 0.277 1.00 0.00 C ATOM 1491 C GLN A 127 8.853 6.517 -0.899 1.00 0.00 C ATOM 1492 O GLN A 127 9.933 7.024 -0.631 1.00 0.00 O ATOM 1493 CB GLN A 127 7.788 4.593 0.371 1.00 0.00 C ATOM 1494 CG GLN A 127 7.125 4.122 1.679 1.00 0.00 C ATOM 1495 CD GLN A 127 8.000 4.277 2.915 1.00 0.00 C ATOM 1496 OE1 GLN A 127 8.532 3.322 3.443 1.00 0.00 O ATOM 1497 NE2 GLN A 127 7.918 5.384 3.618 1.00 0.00 N ATOM 0 H GLN A 127 5.886 6.140 0.015 1.00 0.00 H new ATOM 0 HA GLN A 127 8.451 6.447 1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 127 7.189 4.251 -0.473 1.00 0.00 H new ATOM 0 HB3 GLN A 127 8.766 4.121 0.280 1.00 0.00 H new ATOM 0 HG2 GLN A 127 6.203 4.684 1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 127 6.846 3.073 1.574 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.479 6.212 3.216 1.00 0.00 H new ATOM 0 HE22 GLN A 127 8.293 5.415 4.566 1.00 0.00 H new ATOM 1506 N TYR A 128 8.307 6.623 -2.121 1.00 0.00 N ATOM 1507 CA TYR A 128 9.023 7.214 -3.258 1.00 0.00 C ATOM 1508 C TYR A 128 9.533 8.625 -2.950 1.00 0.00 C ATOM 1509 O TYR A 128 10.715 8.869 -3.129 1.00 0.00 O ATOM 1510 CB TYR A 128 8.172 7.227 -4.539 1.00 0.00 C ATOM 1511 CG TYR A 128 9.005 7.440 -5.793 1.00 0.00 C ATOM 1512 CD1 TYR A 128 9.454 8.724 -6.167 1.00 0.00 C ATOM 1513 CD2 TYR A 128 9.422 6.322 -6.533 1.00 0.00 C ATOM 1514 CE1 TYR A 128 10.349 8.870 -7.246 1.00 0.00 C ATOM 1515 CE2 TYR A 128 10.321 6.457 -7.603 1.00 0.00 C ATOM 1516 CZ TYR A 128 10.806 7.735 -7.945 1.00 0.00 C ATOM 1517 OH TYR A 128 11.747 7.864 -8.912 1.00 0.00 O ATOM 0 H TYR A 128 7.365 6.304 -2.346 1.00 0.00 H new ATOM 0 HA TYR A 128 9.886 6.572 -3.432 1.00 0.00 H new ATOM 0 HB2 TYR A 128 7.632 6.284 -4.622 1.00 0.00 H new ATOM 0 HB3 TYR A 128 7.424 8.017 -4.466 1.00 0.00 H new ATOM 0 HD1 TYR A 128 9.112 9.595 -5.627 1.00 0.00 H new ATOM 0 HD2 TYR A 128 9.045 5.343 -6.275 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.685 9.854 -7.538 1.00 0.00 H new ATOM 0 HE2 TYR A 128 10.638 5.588 -8.160 1.00 0.00 H new ATOM 0 HH TYR A 128 12.284 7.046 -8.957 1.00 0.00 H new ATOM 1527 N GLN A 129 8.724 9.502 -2.343 1.00 0.00 N ATOM 1528 CA GLN A 129 9.167 10.850 -1.965 1.00 0.00 C ATOM 1529 C GLN A 129 10.383 10.839 -1.021 1.00 0.00 C ATOM 1530 O GLN A 129 11.364 11.533 -1.283 1.00 0.00 O ATOM 1531 CB GLN A 129 7.990 11.616 -1.339 1.00 0.00 C ATOM 1532 CG GLN A 129 8.314 13.102 -1.116 1.00 0.00 C ATOM 1533 CD GLN A 129 7.179 13.873 -0.446 1.00 0.00 C ATOM 1534 OE1 GLN A 129 6.116 13.364 -0.129 1.00 0.00 O ATOM 1535 NE2 GLN A 129 7.379 15.140 -0.158 1.00 0.00 N ATOM 0 H GLN A 129 7.754 9.301 -2.102 1.00 0.00 H new ATOM 0 HA GLN A 129 9.497 11.357 -2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 129 7.118 11.530 -1.987 1.00 0.00 H new ATOM 0 HB3 GLN A 129 7.726 11.157 -0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 129 9.211 13.183 -0.502 1.00 0.00 H new ATOM 0 HG3 GLN A 129 8.542 13.565 -2.076 1.00 0.00 H new ATOM 0 HE21 GLN A 129 8.259 15.588 -0.413 1.00 0.00 H new ATOM 0 HE22 GLN A 129 6.654 15.675 0.320 1.00 0.00 H new ATOM 1544 N LYS A 130 10.340 10.039 0.053 1.00 0.00 N ATOM 1545 CA LYS A 130 11.432 9.946 1.036 1.00 0.00 C ATOM 1546 C LYS A 130 12.681 9.272 0.462 1.00 0.00 C ATOM 1547 O LYS A 130 13.777 9.803 0.605 1.00 0.00 O ATOM 1548 CB LYS A 130 10.921 9.206 2.282 1.00 0.00 C ATOM 1549 CG LYS A 130 11.994 9.151 3.379 1.00 0.00 C ATOM 1550 CD LYS A 130 11.483 8.427 4.625 1.00 0.00 C ATOM 1551 CE LYS A 130 12.641 8.327 5.623 1.00 0.00 C ATOM 1552 NZ LYS A 130 12.246 7.590 6.844 1.00 0.00 N1+ ATOM 0 H LYS A 130 9.546 9.436 0.267 1.00 0.00 H new ATOM 0 HA LYS A 130 11.736 10.957 1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 130 10.032 9.706 2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 130 10.624 8.193 2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 130 12.880 8.642 2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 130 12.298 10.164 3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 130 10.647 8.970 5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 130 11.117 7.434 4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 130 13.486 7.825 5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 130 12.976 9.328 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 13.054 7.542 7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 11.456 8.083 7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 11.950 6.627 6.587 1.00 0.00 H new ATOM 1566 N GLU A 131 12.509 8.138 -0.207 1.00 0.00 N ATOM 1567 CA GLU A 131 13.600 7.371 -0.814 1.00 0.00 C ATOM 1568 C GLU A 131 14.249 8.146 -1.973 1.00 0.00 C ATOM 1569 O GLU A 131 15.464 8.134 -2.102 1.00 0.00 O ATOM 1570 CB GLU A 131 13.061 6.022 -1.322 1.00 0.00 C ATOM 1571 CG GLU A 131 12.476 5.089 -0.248 1.00 0.00 C ATOM 1572 CD GLU A 131 13.527 4.491 0.695 1.00 0.00 C ATOM 1573 OE1 GLU A 131 13.722 5.128 1.756 1.00 0.00 O ATOM 1574 OE2 GLU A 131 13.727 3.257 0.582 1.00 0.00 O1- ATOM 0 H GLU A 131 11.592 7.715 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 131 14.363 7.200 -0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 131 12.289 6.217 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 131 13.869 5.497 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 131 11.746 5.643 0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 131 11.939 4.277 -0.739 1.00 0.00 H new ATOM 1581 N SER A 132 13.471 8.899 -2.760 1.00 0.00 N ATOM 1582 CA SER A 132 13.950 9.765 -3.852 1.00 0.00 C ATOM 1583 C SER A 132 14.691 10.995 -3.333 1.00 0.00 C ATOM 1584 O SER A 132 15.660 11.421 -3.955 1.00 0.00 O ATOM 1585 CB SER A 132 12.760 10.202 -4.717 1.00 0.00 C ATOM 1586 OG SER A 132 13.128 10.943 -5.864 1.00 0.00 O ATOM 0 H SER A 132 12.457 8.925 -2.653 1.00 0.00 H new ATOM 0 HA SER A 132 14.657 9.187 -4.447 1.00 0.00 H new ATOM 0 HB2 SER A 132 12.206 9.317 -5.030 1.00 0.00 H new ATOM 0 HB3 SER A 132 12.083 10.803 -4.110 1.00 0.00 H new ATOM 0 HG SER A 132 12.324 11.187 -6.368 1.00 0.00 H new ATOM 1592 N GLN A 133 14.270 11.560 -2.195 1.00 0.00 N ATOM 1593 CA GLN A 133 15.053 12.579 -1.495 1.00 0.00 C ATOM 1594 C GLN A 133 16.387 12.001 -0.997 1.00 0.00 C ATOM 1595 O GLN A 133 17.423 12.575 -1.296 1.00 0.00 O ATOM 1596 CB GLN A 133 14.228 13.163 -0.337 1.00 0.00 C ATOM 1597 CG GLN A 133 14.881 14.411 0.275 1.00 0.00 C ATOM 1598 CD GLN A 133 14.319 14.702 1.660 1.00 0.00 C ATOM 1599 OE1 GLN A 133 13.169 15.074 1.840 1.00 0.00 O ATOM 1600 NE2 GLN A 133 15.070 14.429 2.705 1.00 0.00 N ATOM 0 H GLN A 133 13.388 11.326 -1.740 1.00 0.00 H new ATOM 0 HA GLN A 133 15.290 13.384 -2.191 1.00 0.00 H new ATOM 0 HB2 GLN A 133 13.231 13.417 -0.697 1.00 0.00 H new ATOM 0 HB3 GLN A 133 14.104 12.405 0.436 1.00 0.00 H new ATOM 0 HG2 GLN A 133 15.959 14.266 0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 133 14.714 15.269 -0.376 1.00 0.00 H new ATOM 0 HE21 GLN A 133 16.032 14.117 2.574 1.00 0.00 H new ATOM 0 HE22 GLN A 133 14.690 14.529 3.646 1.00 0.00 H new ATOM 1609 N ALA A 134 16.386 10.816 -0.376 1.00 0.00 N ATOM 1610 CA ALA A 134 17.614 10.154 0.078 1.00 0.00 C ATOM 1611 C ALA A 134 18.556 9.754 -1.076 1.00 0.00 C ATOM 1612 O ALA A 134 19.741 10.044 -1.016 1.00 0.00 O ATOM 1613 CB ALA A 134 17.223 8.942 0.931 1.00 0.00 C ATOM 0 H ALA A 134 15.536 10.290 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 134 18.186 10.866 0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 134 18.124 8.436 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 134 16.639 9.274 1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.627 8.253 0.332 1.00 0.00 H new ATOM 1619 N TYR A 135 18.016 9.285 -2.204 1.00 0.00 N ATOM 1620 CA TYR A 135 18.778 8.993 -3.425 1.00 0.00 C ATOM 1621 C TYR A 135 19.434 10.236 -4.060 1.00 0.00 C ATOM 1622 O TYR A 135 20.449 10.118 -4.742 1.00 0.00 O ATOM 1623 CB TYR A 135 17.838 8.290 -4.417 1.00 0.00 C ATOM 1624 CG TYR A 135 18.464 7.996 -5.766 1.00 0.00 C ATOM 1625 CD1 TYR A 135 19.488 7.035 -5.868 1.00 0.00 C ATOM 1626 CD2 TYR A 135 18.091 8.752 -6.895 1.00 0.00 C ATOM 1627 CE1 TYR A 135 20.162 6.848 -7.090 1.00 0.00 C ATOM 1628 CE2 TYR A 135 18.760 8.565 -8.120 1.00 0.00 C ATOM 1629 CZ TYR A 135 19.806 7.624 -8.214 1.00 0.00 C ATOM 1630 OH TYR A 135 20.479 7.477 -9.385 1.00 0.00 O ATOM 0 H TYR A 135 17.019 9.093 -2.298 1.00 0.00 H new ATOM 0 HA TYR A 135 19.613 8.345 -3.158 1.00 0.00 H new ATOM 0 HB2 TYR A 135 17.497 7.353 -3.976 1.00 0.00 H new ATOM 0 HB3 TYR A 135 16.955 8.912 -4.567 1.00 0.00 H new ATOM 0 HD1 TYR A 135 19.757 6.440 -5.008 1.00 0.00 H new ATOM 0 HD2 TYR A 135 17.292 9.475 -6.821 1.00 0.00 H new ATOM 0 HE1 TYR A 135 20.949 6.113 -7.167 1.00 0.00 H new ATOM 0 HE2 TYR A 135 18.472 9.142 -8.987 1.00 0.00 H new ATOM 0 HH TYR A 135 20.105 8.086 -10.056 1.00 0.00 H new ATOM 1640 N TYR A 136 18.861 11.424 -3.848 1.00 0.00 N ATOM 1641 CA TYR A 136 19.486 12.703 -4.197 1.00 0.00 C ATOM 1642 C TYR A 136 20.529 13.168 -3.154 1.00 0.00 C ATOM 1643 O TYR A 136 21.482 13.853 -3.519 1.00 0.00 O ATOM 1644 CB TYR A 136 18.358 13.734 -4.374 1.00 0.00 C ATOM 1645 CG TYR A 136 18.810 15.131 -4.748 1.00 0.00 C ATOM 1646 CD1 TYR A 136 19.186 16.038 -3.738 1.00 0.00 C ATOM 1647 CD2 TYR A 136 18.869 15.518 -6.101 1.00 0.00 C ATOM 1648 CE1 TYR A 136 19.638 17.327 -4.078 1.00 0.00 C ATOM 1649 CE2 TYR A 136 19.317 16.807 -6.447 1.00 0.00 C ATOM 1650 CZ TYR A 136 19.709 17.711 -5.433 1.00 0.00 C ATOM 1651 OH TYR A 136 20.159 18.949 -5.767 1.00 0.00 O ATOM 0 H TYR A 136 17.939 11.526 -3.424 1.00 0.00 H new ATOM 0 HA TYR A 136 20.050 12.589 -5.123 1.00 0.00 H new ATOM 0 HB2 TYR A 136 17.675 13.373 -5.143 1.00 0.00 H new ATOM 0 HB3 TYR A 136 17.790 13.790 -3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 136 19.127 15.744 -2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 136 18.570 14.825 -6.874 1.00 0.00 H new ATOM 0 HE1 TYR A 136 19.930 18.020 -3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 136 19.361 17.105 -7.484 1.00 0.00 H new ATOM 0 HH TYR A 136 20.145 19.050 -6.742 1.00 0.00 H new ATOM 1661 N ASP A 137 20.314 12.856 -1.871 1.00 0.00 N ATOM 1662 CA ASP A 137 21.137 13.279 -0.723 1.00 0.00 C ATOM 1663 C ASP A 137 22.460 12.482 -0.594 1.00 0.00 C ATOM 1664 O ASP A 137 23.519 13.093 -0.427 1.00 0.00 O ATOM 1665 CB ASP A 137 20.265 13.141 0.547 1.00 0.00 C ATOM 1666 CG ASP A 137 20.646 14.068 1.710 1.00 0.00 C ATOM 1667 OD1 ASP A 137 20.593 15.295 1.457 1.00 0.00 O ATOM 1668 OD2 ASP A 137 20.406 13.624 2.859 1.00 0.00 O1- ATOM 0 H ASP A 137 19.525 12.275 -1.587 1.00 0.00 H new ATOM 0 HA ASP A 137 21.449 14.313 -0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 137 19.227 13.333 0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 137 20.319 12.109 0.894 1.00 0.00 H new ATOM 1673 N GLY A 138 22.420 11.154 -0.805 1.00 0.00 N ATOM 1674 CA GLY A 138 23.587 10.249 -0.880 1.00 0.00 C ATOM 1675 C GLY A 138 23.384 8.850 -0.289 1.00 0.00 C ATOM 1676 O GLY A 138 24.099 7.947 -0.780 1.00 0.00 O ATOM 1677 OXT GLY A 138 22.760 8.743 0.789 1.00 0.00 O1- ATOM 0 H GLY A 138 21.538 10.659 -0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 138 23.874 10.143 -1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 138 24.424 10.722 -0.366 1.00 0.00 H new TER 1681 GLY A 138 HETATM 1682 CM2 VIB A 1 -7.150 5.345 8.587 1.00 20.00 C HETATM 1683 N4A VIB A 1 -11.036 7.878 9.697 1.00 20.00 N HETATM 1684 CM4 VIB A 1 -15.034 9.452 6.915 1.00 20.00 C HETATM 1685 O1 VIB A 1 -15.568 12.601 4.109 1.00 20.00 O HETATM 1686 C7 VIB A 1 -15.671 11.183 3.971 1.00 20.00 C HETATM 1687 C6 VIB A 1 -14.256 10.583 3.969 1.00 20.00 C HETATM 1688 C2 VIB A 1 -11.657 10.250 6.774 1.00 20.00 C HETATM 1689 S1 VIB A 1 -12.241 11.511 5.753 1.00 20.00 S HETATM 1690 C5 VIB A 1 -13.633 10.606 5.355 1.00 20.00 C HETATM 1691 C4 VIB A 1 -13.730 9.511 6.170 1.00 20.00 C HETATM 1692 N3 VIB A 1 -12.497 9.155 6.734 1.00 20.00 N HETATM 1693 C7A VIB A 1 -12.128 7.737 6.975 1.00 20.00 C HETATM 1694 C4A VIB A 1 -10.299 7.285 8.723 1.00 20.00 C HETATM 1695 N3A VIB A 1 -9.162 6.666 9.113 1.00 20.00 N HETATM 1696 C2A VIB A 1 -8.388 6.112 8.154 1.00 20.00 C HETATM 1697 N1A VIB A 1 -8.682 6.156 6.837 1.00 20.00 N HETATM 1698 C6A VIB A 1 -9.867 6.692 6.472 1.00 20.00 C HETATM 1699 C5A VIB A 1 -10.718 7.310 7.390 1.00 20.00 C HETATM 0 HM43 VIB A 1 -15.138 10.340 7.538 1.00 20.00 H new HETATM 0 HM42 VIB A 1 -15.858 9.410 6.203 1.00 20.00 H new HETATM 0 HM41 VIB A 1 -15.053 8.563 7.545 1.00 20.00 H new HETATM 0 HM23 VIB A 1 -6.484 6.010 9.137 1.00 20.00 H new HETATM 0 HM22 VIB A 1 -7.443 4.513 9.228 1.00 20.00 H new HETATM 0 HM21 VIB A 1 -6.634 4.961 7.707 1.00 20.00 H new HETATM 0 HC72 VIB A 1 -16.257 10.765 4.790 1.00 20.00 H new HETATM 0 HC71 VIB A 1 -16.190 10.930 3.046 1.00 20.00 H new HETATM 0 HC62 VIB A 1 -14.297 9.556 3.605 1.00 20.00 H new HETATM 0 HC61 VIB A 1 -13.625 11.141 3.277 1.00 20.00 H new HETATM 0 H7A2 VIB A 1 -12.805 7.366 7.745 1.00 20.00 H new HETATM 0 H7A1 VIB A 1 -12.360 7.195 6.058 1.00 20.00 H new HETATM 0 H6AC VIB A 1 -10.169 6.640 5.426 1.00 20.00 H new HETATM 0 H4A2 VIB A 1 -11.903 8.359 9.459 1.00 20.00 H new HETATM 0 H4A1 VIB A 1 -10.722 7.842 10.667 1.00 20.00 H new HETATM 0 HO1 VIB A 1 -16.465 12.996 4.110 1.00 20.00 H new HETATM 0 HC2 VIB A 1 -10.747 10.309 7.371 1.00 20.00 H new CONECT 1682 1696 1700 1701 1702 CONECT 1683 1694 1703 1704 CONECT 1684 1691 1705 1706 1707 CONECT 1685 1686 1708 CONECT 1686 1685 1687 1709 1710 CONECT 1687 1686 1690 1711 1712 CONECT 1688 1689 1692 1713 CONECT 1689 1688 1690 CONECT 1690 1687 1689 1691 CONECT 1691 1684 1690 1692 CONECT 1692 1688 1691 1693 CONECT 1693 1692 1699 1714 1715 CONECT 1694 1683 1695 1699 CONECT 1695 1694 1696 CONECT 1696 1682 1695 1697 CONECT 1697 1696 1698 CONECT 1698 1697 1699 1716 CONECT 1699 1693 1694 1698 CONECT 1700 1682 CONECT 1701 1682 CONECT 1702 1682 CONECT 1703 1683 CONECT 1704 1683 CONECT 1705 1684 CONECT 1706 1684 CONECT 1707 1684 CONECT 1708 1685 CONECT 1709 1686 CONECT 1710 1686 CONECT 1711 1687 CONECT 1712 1687 CONECT 1713 1688 CONECT 1714 1693 CONECT 1715 1693 CONECT 1716 1698 END