USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) HEADER METAL BINDING PROTEIN 27-MAR-00 1C7W TITLE NMR SOLUTION STRUCTURE OF THE CALCIUM-BOUND C-TERMINAL TITLE 2 DOMAIN (W81-S161) OF CALCIUM VECTOR PROTEIN FROM AMPHIOXUS COMPND MOL_ID: 1; COMPND 2 MOLECULE: CALCIUM VECTOR PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: C-TERMINAL DOMAIN (RESIDUES 81-161); COMPND 5 SYNONYM: CAVP; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BRANCHIOSTOMA LANCEOLATUM; SOURCE 3 ORGANISM_COMMON: AMPHIOXUS; SOURCE 4 ORGANISM_TAXID: 7740; SOURCE 5 TISSUE: MUSCLE; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET24A KEYWDS EF-HAND FAMILY, CALCIUM BINDING PROTEIN, NMR, METAL BINDING KEYWDS 2 PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR I.THERET,S.BALADI,J.A.COX,H.SAKAMOTO,C.T.CRAESCU REVDAT 3 24-FEB-09 1C7W 1 VERSN REVDAT 2 27-SEP-00 1C7W 1 JRNL REVDAT 1 12-APR-00 1C7W 0 JRNL AUTH I.THERET,S.BALADI,J.A.COX,H.SAKAMOTO,C.T.CRAESCU JRNL TITL SEQUENTIAL CALCIUM BINDING TO THE REGULATORY JRNL TITL 2 DOMAIN OF CALCIUM VECTOR PROTEIN REVEALS JRNL TITL 3 FUNCTIONAL ASYMMETRY AND A NOVEL MODE OF JRNL TITL 4 STRUCTURAL REARRANGEMENT. JRNL REF BIOCHEMISTRY V. 39 7920 2000 JRNL REFN ISSN 0006-2960 JRNL PMID 10891072 JRNL DOI 10.1021/BI000360Z REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : FELIX 97.0 REMARK 3 AUTHORS : MSI (SAN DIEGO) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE IS BASED ON 938 NOE REMARK 3 RESTRAINTS, 66 HYDROGEN BOND RESTRAINTS AND 99 DIHEDRAL ANGLE REMARK 3 RESTRAINTS REMARK 4 REMARK 4 1C7W COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-MAR-00. REMARK 100 THE RCSB ID CODE IS RCSB001445. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 100 MM KCL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : UNLABELED; UNIFORMLY 15N REMARK 210 LABELED REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D (1H-15N)NOESY- REMARK 210 HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITY 500 REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 97.0 REMARK 210 METHOD USED : DISTANCE GEOMETRY (DGII) AND REMARK 210 SIMULATED ANNEALING (DISCOVER) REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING 2D, HOMONUCLEAR AND REMARK 210 3D HETERONUCLEAR EXPERIMENTS. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 TRP A 81 REMARK 465 VAL A 82 REMARK 465 ARG A 83 REMARK 465 GLN A 84 REMARK 465 ASP A 85 REMARK 465 ASP A 86 REMARK 465 LYS A 155 REMARK 465 ASN A 156 REMARK 465 ALA A 157 REMARK 465 LEU A 158 REMARK 465 LYS A 159 REMARK 465 GLU A 160 REMARK 465 SER A 161 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 GLU A 88 O - C - N ANGL. DEV. = -41.8 DEGREES REMARK 500 ARG A 92 NE - CZ - NH1 ANGL. DEV. = 5.3 DEGREES REMARK 500 ARG A 92 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES REMARK 500 MET A 114 CA - CB - CG ANGL. DEV. = 10.5 DEGREES REMARK 500 GLN A 115 CA - CB - CG ANGL. DEV. = 15.6 DEGREES REMARK 500 LYS A 116 N - CA - CB ANGL. DEV. = -16.6 DEGREES REMARK 500 PRO A 121 N - CA - CB ANGL. DEV. = -8.8 DEGREES REMARK 500 PRO A 121 N - CD - CG ANGL. DEV. = -9.7 DEGREES REMARK 500 LEU A 122 N - CA - CB ANGL. DEV. = -12.7 DEGREES REMARK 500 LEU A 122 N - CA - C ANGL. DEV. = 16.8 DEGREES REMARK 500 VAL A 127 CA - CB - CG1 ANGL. DEV. = 13.6 DEGREES REMARK 500 MET A 148 CA - CB - CG ANGL. DEV. = 13.4 DEGREES REMARK 500 LEU A 150 CA - CB - CG ANGL. DEV. = 18.7 DEGREES REMARK 500 LEU A 150 CB - CG - CD2 ANGL. DEV. = 10.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 98 103.66 -52.96 REMARK 500 GLN A 115 -26.67 -151.94 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 GLU A 88 -48.97 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1C7V RELATED DB: PDB REMARK 900 ENSEMBLE OF 20 STRUCTURES DBREF 1C7W A 81 161 UNP P04573 CAVP_BRALA 81 161 SEQRES 1 A 81 TRP VAL ARG GLN ASP ASP GLU GLU GLU ILE LEU ARG ALA SEQRES 2 A 81 PHE LYS VAL PHE ASP ALA ASN GLY ASP GLY VAL ILE ASP SEQRES 3 A 81 PHE ASP GLU PHE LYS PHE ILE MET GLN LYS VAL GLY GLU SEQRES 4 A 81 GLU PRO LEU THR ASP ALA GLU VAL GLU GLU ALA MET LYS SEQRES 5 A 81 GLU ALA ASP GLU ASP GLY ASN GLY VAL ILE ASP ILE PRO SEQRES 6 A 81 GLU PHE MET ASP LEU ILE LYS LYS SER LYS ASN ALA LEU SEQRES 7 A 81 LYS GLU SER HELIX 1 1 GLU A 87 ASP A 98 1 12 HELIX 2 2 PHE A 107 MET A 114 1 8 HELIX 3 3 THR A 123 ASP A 135 1 13 HELIX 4 4 ILE A 144 LYS A 153 1 10 SHEET 1 A 2 VAL A 104 ASP A 106 0 SHEET 2 A 2 VAL A 141 ASP A 143 -1 O ILE A 142 N ILE A 105 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 114 MET CE :methyl -174:sc= -0.313 (180deg=-0.398) USER MOD Set 1.2: A 115 GLN :FLIP amide:sc= -0.339 F(o=-3.8,f=-0.65) USER MOD Single : A 95 LYS NZ :NH3+ -105:sc= 1.18 (180deg=-0.841) USER MOD Single : A 100 ASN : amide:sc= -0.29 K(o=-0.29,f=-2.3!) USER MOD Single : A 111 LYS NZ :NH3+ 169:sc= 1.28 (180deg=1.04) USER MOD Single : A 116 LYS NZ :NH3+ -144:sc= 0.824 (180deg=-2.27!) USER MOD Single : A 123 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 131 MET CE :methyl -154:sc= 0 (180deg=-1.83) USER MOD Single : A 132 LYS NZ :NH3+ -143:sc= 2.25 (180deg=1.83) USER MOD Single : A 139 ASN : amide:sc= 0.0191 K(o=0.019,f=-1.8) USER MOD Single : A 148 MET CE :methyl 168:sc= -0.031 (180deg=-0.173) USER MOD Single : A 152 LYS NZ :NH3+ 149:sc= 1.24 (180deg=1.05) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 87 -0.828 10.855 10.126 1.00 0.00 N ATOM 2 CA GLU A 87 -2.290 10.895 10.069 1.00 0.00 C ATOM 3 C GLU A 87 -2.768 11.843 8.972 1.00 0.00 C ATOM 4 O GLU A 87 -3.787 11.485 8.384 1.00 0.00 O ATOM 5 CB GLU A 87 -2.786 11.181 11.489 1.00 0.00 C ATOM 6 CG GLU A 87 -4.290 11.251 11.755 1.00 0.00 C ATOM 7 CD GLU A 87 -5.138 9.990 11.686 1.00 0.00 C ATOM 8 OE1 GLU A 87 -4.932 9.087 12.524 1.00 0.00 O ATOM 9 OE2 GLU A 87 -6.056 9.915 10.841 1.00 0.00 O ATOM 0 HA GLU A 87 -2.731 9.945 9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.373 10.412 12.142 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.353 12.131 11.802 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.423 11.676 12.750 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.711 11.963 11.045 1.00 0.00 H new ATOM 16 N GLU A 88 -2.142 12.967 8.647 1.00 0.00 N ATOM 17 CA GLU A 88 -2.517 13.833 7.525 1.00 0.00 C ATOM 18 C GLU A 88 -2.313 13.155 6.169 1.00 0.00 C ATOM 19 O GLU A 88 -2.966 12.126 6.029 1.00 0.00 O ATOM 20 CB GLU A 88 -1.702 15.128 7.531 1.00 0.00 C ATOM 21 CG GLU A 88 -2.259 16.316 6.744 1.00 0.00 C ATOM 22 CD GLU A 88 -2.495 16.199 5.245 1.00 0.00 C ATOM 23 OE1 GLU A 88 -1.546 15.904 4.487 1.00 0.00 O ATOM 24 OE2 GLU A 88 -3.653 16.381 4.810 1.00 0.00 O ATOM 0 H GLU A 88 -1.337 13.315 9.168 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.577 14.049 7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.575 15.441 8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.709 14.902 7.142 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.211 16.588 7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.579 17.154 6.900 1.00 0.00 H new ATOM 31 N GLU A 89 -1.327 12.311 5.943 1.00 0.00 N ATOM 32 CA GLU A 89 -0.869 11.622 4.729 1.00 0.00 C ATOM 33 C GLU A 89 -1.699 10.387 4.380 1.00 0.00 C ATOM 34 O GLU A 89 -2.365 10.319 3.346 1.00 0.00 O ATOM 35 CB GLU A 89 0.630 11.391 4.932 1.00 0.00 C ATOM 36 CG GLU A 89 1.455 10.910 3.739 1.00 0.00 C ATOM 37 CD GLU A 89 1.586 11.866 2.563 1.00 0.00 C ATOM 38 OE1 GLU A 89 1.745 13.090 2.763 1.00 0.00 O ATOM 39 OE2 GLU A 89 1.459 11.411 1.407 1.00 0.00 O ATOM 0 H GLU A 89 -0.729 12.045 6.725 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.022 12.223 3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.066 12.326 5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.749 10.663 5.734 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.457 10.670 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.015 9.982 3.374 1.00 0.00 H new ATOM 46 N ILE A 90 -1.754 9.471 5.335 1.00 0.00 N ATOM 47 CA ILE A 90 -2.561 8.251 5.307 1.00 0.00 C ATOM 48 C ILE A 90 -4.035 8.640 5.355 1.00 0.00 C ATOM 49 O ILE A 90 -4.743 8.120 4.493 1.00 0.00 O ATOM 50 CB ILE A 90 -2.153 7.260 6.401 1.00 0.00 C ATOM 51 CG1 ILE A 90 -0.705 6.765 6.420 1.00 0.00 C ATOM 52 CG2 ILE A 90 -3.059 6.043 6.584 1.00 0.00 C ATOM 53 CD1 ILE A 90 -0.085 6.290 5.107 1.00 0.00 C ATOM 0 H ILE A 90 -1.212 9.559 6.195 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.380 7.713 4.376 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.278 7.943 7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.083 7.571 6.809 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.644 5.943 7.133 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.668 5.416 7.385 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.066 6.374 6.840 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -3.090 5.470 5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.942 5.971 5.284 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.662 5.453 4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.092 7.106 4.385 1.00 0.00 H new ATOM 65 N LEU A 91 -4.533 9.469 6.264 1.00 0.00 N ATOM 66 CA LEU A 91 -5.935 9.891 6.228 1.00 0.00 C ATOM 67 C LEU A 91 -6.269 10.625 4.934 1.00 0.00 C ATOM 68 O LEU A 91 -7.343 10.370 4.393 1.00 0.00 O ATOM 69 CB LEU A 91 -6.433 10.640 7.466 1.00 0.00 C ATOM 70 CG LEU A 91 -6.687 12.150 7.520 1.00 0.00 C ATOM 71 CD1 LEU A 91 -7.969 12.620 6.833 1.00 0.00 C ATOM 72 CD2 LEU A 91 -6.740 12.675 8.954 1.00 0.00 C ATOM 0 H LEU A 91 -3.992 9.863 7.034 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.499 8.958 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.372 10.165 7.749 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.716 10.425 8.258 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.834 12.553 6.973 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.056 13.702 6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.937 12.349 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.829 12.144 7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.922 13.750 8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.545 12.177 9.494 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.791 12.474 9.451 1.00 0.00 H new ATOM 84 N ARG A 92 -5.401 11.472 4.403 1.00 0.00 N ATOM 85 CA ARG A 92 -5.614 12.164 3.132 1.00 0.00 C ATOM 86 C ARG A 92 -5.953 11.157 2.036 1.00 0.00 C ATOM 87 O ARG A 92 -7.103 11.161 1.595 1.00 0.00 O ATOM 88 CB ARG A 92 -4.411 13.076 2.887 1.00 0.00 C ATOM 89 CG ARG A 92 -4.592 14.151 1.814 1.00 0.00 C ATOM 90 CD ARG A 92 -3.366 15.038 1.597 1.00 0.00 C ATOM 91 NE ARG A 92 -2.333 14.345 0.828 1.00 0.00 N ATOM 92 CZ ARG A 92 -1.123 14.020 1.250 1.00 0.00 C ATOM 93 NH1 ARG A 92 -0.569 14.425 2.376 1.00 0.00 N ATOM 94 NH2 ARG A 92 -0.419 13.213 0.480 1.00 0.00 N ATOM 0 H ARG A 92 -4.513 11.705 4.847 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.484 12.821 3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.156 13.567 3.826 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.559 12.454 2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.847 13.667 0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.438 14.782 2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.662 15.948 1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.960 15.342 2.562 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.570 14.087 -0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.083 15.043 3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.374 14.121 2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -0.814 12.870 -0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 92 0.521 12.932 0.760 1.00 0.00 H new ATOM 108 N ALA A 93 -5.086 10.203 1.736 1.00 0.00 N ATOM 109 CA ALA A 93 -5.394 9.210 0.706 1.00 0.00 C ATOM 110 C ALA A 93 -6.480 8.192 1.036 1.00 0.00 C ATOM 111 O ALA A 93 -7.456 8.194 0.286 1.00 0.00 O ATOM 112 CB ALA A 93 -4.087 8.596 0.210 1.00 0.00 C ATOM 0 H ALA A 93 -4.175 10.091 2.181 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.879 9.746 -0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.302 7.854 -0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.453 9.378 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.571 8.117 1.042 1.00 0.00 H new ATOM 118 N PHE A 94 -6.424 7.381 2.083 1.00 0.00 N ATOM 119 CA PHE A 94 -7.518 6.440 2.343 1.00 0.00 C ATOM 120 C PHE A 94 -8.822 7.108 2.756 1.00 0.00 C ATOM 121 O PHE A 94 -9.854 6.725 2.205 1.00 0.00 O ATOM 122 CB PHE A 94 -7.254 5.376 3.411 1.00 0.00 C ATOM 123 CG PHE A 94 -8.193 4.189 3.487 1.00 0.00 C ATOM 124 CD1 PHE A 94 -9.410 4.305 4.059 1.00 0.00 C ATOM 125 CD2 PHE A 94 -7.830 2.996 2.975 1.00 0.00 C ATOM 126 CE1 PHE A 94 -10.258 3.260 4.110 1.00 0.00 C ATOM 127 CE2 PHE A 94 -8.647 1.928 3.065 1.00 0.00 C ATOM 128 CZ PHE A 94 -9.868 2.066 3.621 1.00 0.00 C ATOM 0 H PHE A 94 -5.656 7.350 2.754 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.595 5.964 1.365 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.245 4.993 3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -7.263 5.870 4.383 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -9.709 5.252 4.483 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -6.872 2.895 2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.242 3.378 4.539 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -8.326 0.966 2.694 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.535 1.218 3.675 1.00 0.00 H new ATOM 138 N LYS A 95 -8.808 8.011 3.723 1.00 0.00 N ATOM 139 CA LYS A 95 -10.043 8.665 4.157 1.00 0.00 C ATOM 140 C LYS A 95 -10.633 9.526 3.041 1.00 0.00 C ATOM 141 O LYS A 95 -11.845 9.710 3.148 1.00 0.00 O ATOM 142 CB LYS A 95 -9.895 9.248 5.564 1.00 0.00 C ATOM 143 CG LYS A 95 -9.362 8.301 6.644 1.00 0.00 C ATOM 144 CD LYS A 95 -9.588 8.826 8.061 1.00 0.00 C ATOM 145 CE LYS A 95 -8.676 8.185 9.105 1.00 0.00 C ATOM 146 NZ LYS A 95 -8.457 9.063 10.265 1.00 0.00 N ATOM 0 H LYS A 95 -7.969 8.309 4.220 1.00 0.00 H new ATOM 0 HA LYS A 95 -10.846 7.945 4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.230 10.110 5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.869 9.617 5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -9.847 7.330 6.540 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.295 8.143 6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.432 9.905 8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.627 8.652 8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.115 7.245 9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -7.716 7.944 8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.502 9.471 10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.161 9.828 10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.553 8.511 11.141 1.00 0.00 H new ATOM 160 N VAL A 96 -9.946 10.022 2.019 1.00 0.00 N ATOM 161 CA VAL A 96 -10.637 10.600 0.863 1.00 0.00 C ATOM 162 C VAL A 96 -11.228 9.458 0.035 1.00 0.00 C ATOM 163 O VAL A 96 -12.392 9.575 -0.348 1.00 0.00 O ATOM 164 CB VAL A 96 -9.823 11.579 0.012 1.00 0.00 C ATOM 165 CG1 VAL A 96 -9.072 11.074 -1.220 1.00 0.00 C ATOM 166 CG2 VAL A 96 -10.720 12.690 -0.531 1.00 0.00 C ATOM 0 H VAL A 96 -8.928 10.038 1.962 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.425 11.241 1.257 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.067 11.871 0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.553 11.906 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.346 10.318 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.780 10.637 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.125 13.376 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.506 12.254 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.170 13.233 0.300 1.00 0.00 H new ATOM 176 N PHE A 97 -10.506 8.380 -0.242 1.00 0.00 N ATOM 177 CA PHE A 97 -10.990 7.238 -1.021 1.00 0.00 C ATOM 178 C PHE A 97 -12.186 6.458 -0.479 1.00 0.00 C ATOM 179 O PHE A 97 -12.936 5.954 -1.315 1.00 0.00 O ATOM 180 CB PHE A 97 -9.832 6.306 -1.382 1.00 0.00 C ATOM 181 CG PHE A 97 -9.989 5.632 -2.730 1.00 0.00 C ATOM 182 CD1 PHE A 97 -10.776 4.546 -2.885 1.00 0.00 C ATOM 183 CD2 PHE A 97 -9.462 6.216 -3.829 1.00 0.00 C ATOM 184 CE1 PHE A 97 -11.060 4.076 -4.114 1.00 0.00 C ATOM 185 CE2 PHE A 97 -9.729 5.745 -5.062 1.00 0.00 C ATOM 186 CZ PHE A 97 -10.542 4.679 -5.203 1.00 0.00 C ATOM 0 H PHE A 97 -9.543 8.269 0.075 1.00 0.00 H new ATOM 0 HA PHE A 97 -11.407 7.705 -1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.903 6.877 -1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.740 5.540 -0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -11.181 4.050 -2.015 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -8.816 7.074 -3.717 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -11.703 3.216 -4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.295 6.218 -5.931 1.00 0.00 H new ATOM 0 HZ PHE A 97 -10.779 4.308 -6.189 1.00 0.00 H new ATOM 196 N ASP A 98 -12.410 6.333 0.821 1.00 0.00 N ATOM 197 CA ASP A 98 -13.541 5.641 1.443 1.00 0.00 C ATOM 198 C ASP A 98 -14.882 6.134 0.906 1.00 0.00 C ATOM 199 O ASP A 98 -15.355 7.228 1.212 1.00 0.00 O ATOM 200 CB ASP A 98 -13.333 5.803 2.949 1.00 0.00 C ATOM 201 CG ASP A 98 -14.404 5.260 3.881 1.00 0.00 C ATOM 202 OD1 ASP A 98 -15.070 4.260 3.535 1.00 0.00 O ATOM 203 OD2 ASP A 98 -14.575 5.831 4.980 1.00 0.00 O ATOM 0 H ASP A 98 -11.775 6.732 1.513 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.576 4.580 1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.390 5.323 3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.217 6.867 3.157 1.00 0.00 H new ATOM 208 N ALA A 99 -15.455 5.307 0.045 1.00 0.00 N ATOM 209 CA ALA A 99 -16.711 5.581 -0.656 1.00 0.00 C ATOM 210 C ALA A 99 -17.974 5.659 0.194 1.00 0.00 C ATOM 211 O ALA A 99 -18.673 6.670 0.131 1.00 0.00 O ATOM 212 CB ALA A 99 -16.840 4.572 -1.796 1.00 0.00 C ATOM 0 H ALA A 99 -15.053 4.401 -0.195 1.00 0.00 H new ATOM 0 HA ALA A 99 -16.640 6.603 -1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -17.769 4.752 -2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -15.996 4.682 -2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.848 3.561 -1.388 1.00 0.00 H new ATOM 218 N ASN A 100 -18.270 4.625 0.964 1.00 0.00 N ATOM 219 CA ASN A 100 -19.439 4.587 1.847 1.00 0.00 C ATOM 220 C ASN A 100 -19.374 5.511 3.063 1.00 0.00 C ATOM 221 O ASN A 100 -20.442 5.888 3.544 1.00 0.00 O ATOM 222 CB ASN A 100 -19.802 3.159 2.268 1.00 0.00 C ATOM 223 CG ASN A 100 -20.955 2.991 3.250 1.00 0.00 C ATOM 224 OD1 ASN A 100 -20.675 2.857 4.441 1.00 0.00 O ATOM 225 ND2 ASN A 100 -22.229 3.103 2.919 1.00 0.00 N ATOM 0 H ASN A 100 -17.704 3.777 0.999 1.00 0.00 H new ATOM 0 HA ASN A 100 -20.240 4.987 1.226 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -20.040 2.592 1.368 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -18.916 2.701 2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -22.948 3.077 3.642 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -22.494 3.215 1.940 1.00 0.00 H new ATOM 232 N GLY A 101 -18.228 5.936 3.569 1.00 0.00 N ATOM 233 CA GLY A 101 -18.135 6.722 4.799 1.00 0.00 C ATOM 234 C GLY A 101 -18.168 5.956 6.117 1.00 0.00 C ATOM 235 O GLY A 101 -18.074 6.621 7.148 1.00 0.00 O ATOM 0 H GLY A 101 -17.324 5.746 3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -17.209 7.296 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -18.955 7.440 4.804 1.00 0.00 H new ATOM 239 N ASP A 102 -18.222 4.633 6.134 1.00 0.00 N ATOM 240 CA ASP A 102 -18.104 3.813 7.343 1.00 0.00 C ATOM 241 C ASP A 102 -16.678 3.365 7.665 1.00 0.00 C ATOM 242 O ASP A 102 -16.417 2.973 8.803 1.00 0.00 O ATOM 243 CB ASP A 102 -19.068 2.625 7.306 1.00 0.00 C ATOM 244 CG ASP A 102 -18.857 1.474 6.334 1.00 0.00 C ATOM 245 OD1 ASP A 102 -17.956 1.524 5.468 1.00 0.00 O ATOM 246 OD2 ASP A 102 -19.624 0.493 6.432 1.00 0.00 O ATOM 0 H ASP A 102 -18.353 4.079 5.287 1.00 0.00 H new ATOM 0 HA ASP A 102 -18.390 4.469 8.165 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -19.086 2.197 8.308 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -20.063 3.027 7.113 1.00 0.00 H new ATOM 251 N GLY A 103 -15.749 3.443 6.725 1.00 0.00 N ATOM 252 CA GLY A 103 -14.351 3.035 6.837 1.00 0.00 C ATOM 253 C GLY A 103 -13.919 1.832 6.007 1.00 0.00 C ATOM 254 O GLY A 103 -12.879 1.274 6.352 1.00 0.00 O ATOM 0 H GLY A 103 -15.963 3.818 5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.726 3.883 6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -14.143 2.818 7.885 1.00 0.00 H new ATOM 258 N VAL A 104 -14.629 1.444 4.958 1.00 0.00 N ATOM 259 CA VAL A 104 -14.254 0.320 4.097 1.00 0.00 C ATOM 260 C VAL A 104 -14.470 0.687 2.633 1.00 0.00 C ATOM 261 O VAL A 104 -15.424 1.349 2.225 1.00 0.00 O ATOM 262 CB VAL A 104 -14.894 -1.006 4.522 1.00 0.00 C ATOM 263 CG1 VAL A 104 -16.093 -1.549 3.747 1.00 0.00 C ATOM 264 CG2 VAL A 104 -13.889 -2.104 4.876 1.00 0.00 C ATOM 0 H VAL A 104 -15.494 1.904 4.673 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.187 0.133 4.221 1.00 0.00 H new ATOM 0 HB VAL A 104 -15.373 -0.662 5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -16.413 -2.493 4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -16.912 -0.831 3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -15.811 -1.711 2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -14.425 -3.008 5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.261 -2.316 4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -13.264 -1.772 5.705 1.00 0.00 H new ATOM 274 N ILE A 105 -13.536 0.173 1.852 1.00 0.00 N ATOM 275 CA ILE A 105 -13.452 0.312 0.397 1.00 0.00 C ATOM 276 C ILE A 105 -13.559 -1.083 -0.213 1.00 0.00 C ATOM 277 O ILE A 105 -12.823 -1.980 0.195 1.00 0.00 O ATOM 278 CB ILE A 105 -12.135 0.928 -0.090 1.00 0.00 C ATOM 279 CG1 ILE A 105 -11.791 2.308 0.473 1.00 0.00 C ATOM 280 CG2 ILE A 105 -12.074 1.039 -1.615 1.00 0.00 C ATOM 281 CD1 ILE A 105 -10.325 2.707 0.318 1.00 0.00 C ATOM 0 H ILE A 105 -12.771 -0.385 2.231 1.00 0.00 H new ATOM 0 HA ILE A 105 -14.257 0.980 0.093 1.00 0.00 H new ATOM 0 HB ILE A 105 -11.401 0.220 0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.412 3.054 -0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.051 2.330 1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.122 1.481 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -12.165 0.046 -2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.891 1.669 -1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.171 3.698 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.695 1.986 0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -10.062 2.722 -0.740 1.00 0.00 H new ATOM 293 N ASP A 106 -14.372 -1.264 -1.241 1.00 0.00 N ATOM 294 CA ASP A 106 -14.488 -2.503 -2.012 1.00 0.00 C ATOM 295 C ASP A 106 -14.025 -2.283 -3.452 1.00 0.00 C ATOM 296 O ASP A 106 -13.820 -1.139 -3.858 1.00 0.00 O ATOM 297 CB ASP A 106 -15.883 -3.115 -1.888 1.00 0.00 C ATOM 298 CG ASP A 106 -17.045 -2.430 -2.590 1.00 0.00 C ATOM 299 OD1 ASP A 106 -17.122 -2.516 -3.834 1.00 0.00 O ATOM 300 OD2 ASP A 106 -17.887 -1.814 -1.904 1.00 0.00 O ATOM 0 H ASP A 106 -14.994 -0.529 -1.578 1.00 0.00 H new ATOM 0 HA ASP A 106 -13.816 -3.250 -1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -15.829 -4.138 -2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -16.126 -3.173 -0.827 1.00 0.00 H new ATOM 305 N PHE A 107 -13.865 -3.307 -4.276 1.00 0.00 N ATOM 306 CA PHE A 107 -13.415 -3.138 -5.661 1.00 0.00 C ATOM 307 C PHE A 107 -14.415 -2.446 -6.582 1.00 0.00 C ATOM 308 O PHE A 107 -14.027 -1.511 -7.282 1.00 0.00 O ATOM 309 CB PHE A 107 -12.883 -4.414 -6.318 1.00 0.00 C ATOM 310 CG PHE A 107 -12.090 -4.292 -7.606 1.00 0.00 C ATOM 311 CD1 PHE A 107 -11.350 -3.212 -7.933 1.00 0.00 C ATOM 312 CD2 PHE A 107 -12.188 -5.301 -8.500 1.00 0.00 C ATOM 313 CE1 PHE A 107 -10.740 -3.123 -9.133 1.00 0.00 C ATOM 314 CE2 PHE A 107 -11.574 -5.230 -9.697 1.00 0.00 C ATOM 315 CZ PHE A 107 -10.853 -4.136 -10.015 1.00 0.00 C ATOM 0 H PHE A 107 -14.041 -4.276 -4.011 1.00 0.00 H new ATOM 0 HA PHE A 107 -12.571 -2.458 -5.540 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -12.253 -4.924 -5.589 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -13.735 -5.065 -6.514 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -11.244 -2.406 -7.222 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -12.767 -6.178 -8.251 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -10.164 -2.245 -9.386 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -11.659 -6.046 -10.399 1.00 0.00 H new ATOM 0 HZ PHE A 107 -10.366 -4.071 -10.977 1.00 0.00 H new ATOM 325 N ASP A 108 -15.667 -2.871 -6.625 1.00 0.00 N ATOM 326 CA ASP A 108 -16.695 -2.219 -7.441 1.00 0.00 C ATOM 327 C ASP A 108 -16.978 -0.779 -7.019 1.00 0.00 C ATOM 328 O ASP A 108 -17.147 0.070 -7.894 1.00 0.00 O ATOM 329 CB ASP A 108 -17.945 -3.088 -7.593 1.00 0.00 C ATOM 330 CG ASP A 108 -17.731 -4.338 -8.435 1.00 0.00 C ATOM 331 OD1 ASP A 108 -17.568 -4.205 -9.667 1.00 0.00 O ATOM 332 OD2 ASP A 108 -17.676 -5.458 -7.881 1.00 0.00 O ATOM 0 H ASP A 108 -16.006 -3.676 -6.098 1.00 0.00 H new ATOM 0 HA ASP A 108 -16.283 -2.123 -8.446 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -18.292 -3.384 -6.603 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -18.738 -2.491 -8.043 1.00 0.00 H new ATOM 337 N GLU A 109 -16.970 -0.414 -5.746 1.00 0.00 N ATOM 338 CA GLU A 109 -17.105 0.975 -5.301 1.00 0.00 C ATOM 339 C GLU A 109 -15.864 1.824 -5.586 1.00 0.00 C ATOM 340 O GLU A 109 -15.980 3.042 -5.711 1.00 0.00 O ATOM 341 CB GLU A 109 -17.638 0.862 -3.873 1.00 0.00 C ATOM 342 CG GLU A 109 -18.262 2.155 -3.353 1.00 0.00 C ATOM 343 CD GLU A 109 -19.502 2.774 -3.980 1.00 0.00 C ATOM 344 OE1 GLU A 109 -20.051 2.259 -4.979 1.00 0.00 O ATOM 345 OE2 GLU A 109 -19.938 3.820 -3.453 1.00 0.00 O ATOM 0 H GLU A 109 -16.869 -1.079 -4.979 1.00 0.00 H new ATOM 0 HA GLU A 109 -17.816 1.574 -5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -18.382 0.067 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -16.823 0.569 -3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -18.495 1.988 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -17.481 2.915 -3.390 1.00 0.00 H new ATOM 352 N PHE A 110 -14.682 1.240 -5.722 1.00 0.00 N ATOM 353 CA PHE A 110 -13.444 1.856 -6.207 1.00 0.00 C ATOM 354 C PHE A 110 -13.699 2.207 -7.672 1.00 0.00 C ATOM 355 O PHE A 110 -13.450 3.357 -8.035 1.00 0.00 O ATOM 356 CB PHE A 110 -12.296 0.864 -5.998 1.00 0.00 C ATOM 357 CG PHE A 110 -10.836 1.249 -5.891 1.00 0.00 C ATOM 358 CD1 PHE A 110 -10.178 1.820 -6.921 1.00 0.00 C ATOM 359 CD2 PHE A 110 -10.145 0.921 -4.778 1.00 0.00 C ATOM 360 CE1 PHE A 110 -8.856 2.077 -6.838 1.00 0.00 C ATOM 361 CE2 PHE A 110 -8.825 1.181 -4.680 1.00 0.00 C ATOM 362 CZ PHE A 110 -8.182 1.754 -5.716 1.00 0.00 C ATOM 0 H PHE A 110 -14.548 0.258 -5.482 1.00 0.00 H new ATOM 0 HA PHE A 110 -13.160 2.764 -5.675 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -12.532 0.319 -5.084 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -12.360 0.151 -6.820 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -10.716 2.074 -7.822 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -10.656 0.444 -3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -8.340 2.539 -7.667 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -8.287 0.932 -3.777 1.00 0.00 H new ATOM 0 HZ PHE A 110 -7.123 1.955 -5.647 1.00 0.00 H new ATOM 372 N LYS A 111 -14.219 1.305 -8.497 1.00 0.00 N ATOM 373 CA LYS A 111 -14.675 1.566 -9.866 1.00 0.00 C ATOM 374 C LYS A 111 -15.665 2.728 -9.934 1.00 0.00 C ATOM 375 O LYS A 111 -15.598 3.513 -10.879 1.00 0.00 O ATOM 376 CB LYS A 111 -15.277 0.335 -10.549 1.00 0.00 C ATOM 377 CG LYS A 111 -14.388 -0.899 -10.694 1.00 0.00 C ATOM 378 CD LYS A 111 -15.163 -2.129 -11.165 1.00 0.00 C ATOM 379 CE LYS A 111 -14.458 -3.443 -10.836 1.00 0.00 C ATOM 380 NZ LYS A 111 -15.385 -4.566 -11.049 1.00 0.00 N ATOM 0 H LYS A 111 -14.341 0.330 -8.223 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.773 1.840 -10.413 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -16.168 0.044 -9.992 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -15.606 0.631 -11.545 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.588 -0.685 -11.403 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -13.916 -1.117 -9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -16.150 -2.128 -10.703 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -15.315 -2.065 -12.242 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -13.576 -3.562 -11.465 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -14.113 -3.434 -9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.860 -5.463 -11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -16.116 -4.558 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -15.836 -4.472 -11.982 1.00 0.00 H new ATOM 394 N PHE A 112 -16.583 2.876 -8.989 1.00 0.00 N ATOM 395 CA PHE A 112 -17.495 4.017 -8.895 1.00 0.00 C ATOM 396 C PHE A 112 -16.760 5.328 -8.625 1.00 0.00 C ATOM 397 O PHE A 112 -16.935 6.293 -9.368 1.00 0.00 O ATOM 398 CB PHE A 112 -18.592 3.725 -7.868 1.00 0.00 C ATOM 399 CG PHE A 112 -19.518 4.863 -7.490 1.00 0.00 C ATOM 400 CD1 PHE A 112 -20.483 5.264 -8.343 1.00 0.00 C ATOM 401 CD2 PHE A 112 -19.313 5.556 -6.349 1.00 0.00 C ATOM 402 CE1 PHE A 112 -21.238 6.345 -8.062 1.00 0.00 C ATOM 403 CE2 PHE A 112 -20.071 6.633 -6.060 1.00 0.00 C ATOM 404 CZ PHE A 112 -21.032 7.029 -6.919 1.00 0.00 C ATOM 0 H PHE A 112 -16.721 2.191 -8.246 1.00 0.00 H new ATOM 0 HA PHE A 112 -17.975 4.155 -9.864 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -19.203 2.908 -8.252 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -18.113 3.365 -6.958 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -20.652 4.715 -9.258 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -18.538 5.246 -5.664 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -22.006 6.662 -8.751 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -19.909 7.178 -5.142 1.00 0.00 H new ATOM 0 HZ PHE A 112 -21.637 7.894 -6.691 1.00 0.00 H new ATOM 414 N ILE A 113 -15.955 5.428 -7.580 1.00 0.00 N ATOM 415 CA ILE A 113 -15.211 6.638 -7.219 1.00 0.00 C ATOM 416 C ILE A 113 -14.007 7.018 -8.079 1.00 0.00 C ATOM 417 O ILE A 113 -13.486 8.123 -7.928 1.00 0.00 O ATOM 418 CB ILE A 113 -14.897 6.520 -5.723 1.00 0.00 C ATOM 419 CG1 ILE A 113 -15.075 7.861 -5.011 1.00 0.00 C ATOM 420 CG2 ILE A 113 -13.577 5.854 -5.344 1.00 0.00 C ATOM 421 CD1 ILE A 113 -15.095 7.861 -3.484 1.00 0.00 C ATOM 0 H ILE A 113 -15.792 4.652 -6.938 1.00 0.00 H new ATOM 0 HA ILE A 113 -15.848 7.495 -7.437 1.00 0.00 H new ATOM 0 HB ILE A 113 -15.642 5.810 -5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -14.271 8.521 -5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -16.009 8.303 -5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -13.478 5.834 -4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -13.560 4.834 -5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -12.749 6.417 -5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -15.228 8.880 -3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -15.918 7.240 -3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -14.153 7.462 -3.108 1.00 0.00 H new ATOM 433 N MET A 114 -13.568 6.137 -8.964 1.00 0.00 N ATOM 434 CA MET A 114 -12.434 6.277 -9.881 1.00 0.00 C ATOM 435 C MET A 114 -12.174 7.567 -10.650 1.00 0.00 C ATOM 436 O MET A 114 -11.029 7.912 -10.941 1.00 0.00 O ATOM 437 CB MET A 114 -12.477 5.066 -10.813 1.00 0.00 C ATOM 438 CG MET A 114 -13.334 4.997 -12.077 1.00 0.00 C ATOM 439 SD MET A 114 -13.375 3.321 -12.733 1.00 0.00 S ATOM 440 CE MET A 114 -11.873 3.305 -13.726 1.00 0.00 C ATOM 0 H MET A 114 -14.027 5.233 -9.073 1.00 0.00 H new ATOM 0 HA MET A 114 -11.573 6.333 -9.215 1.00 0.00 H new ATOM 0 HB2 MET A 114 -11.450 4.888 -11.130 1.00 0.00 H new ATOM 0 HB3 MET A 114 -12.772 4.217 -10.197 1.00 0.00 H new ATOM 0 HG2 MET A 114 -14.348 5.329 -11.853 1.00 0.00 H new ATOM 0 HG3 MET A 114 -12.935 5.677 -12.830 1.00 0.00 H new ATOM 0 HE1 MET A 114 -11.814 2.369 -14.282 1.00 0.00 H new ATOM 0 HE2 MET A 114 -11.890 4.142 -14.425 1.00 0.00 H new ATOM 0 HE3 MET A 114 -11.004 3.395 -13.074 1.00 0.00 H new ATOM 450 N GLN A 115 -13.256 8.249 -10.981 1.00 0.00 N ATOM 451 CA GLN A 115 -13.259 9.504 -11.737 1.00 0.00 C ATOM 452 C GLN A 115 -14.388 10.512 -11.532 1.00 0.00 C ATOM 453 O GLN A 115 -14.307 11.708 -11.811 1.00 0.00 O ATOM 454 CB GLN A 115 -13.424 9.201 -13.233 1.00 0.00 C ATOM 455 CG GLN A 115 -12.986 7.965 -14.019 1.00 0.00 C ATOM 456 CD GLN A 115 -11.483 7.756 -14.134 1.00 0.00 C ATOM 457 OE1 GLN A 115 -10.921 6.562 -14.056 1.00 0.00 O flip ATOM 458 NE2 GLN A 115 -10.744 8.720 -14.327 1.00 0.00 N flip ATOM 0 H GLN A 115 -14.194 7.939 -10.725 1.00 0.00 H new ATOM 0 HA GLN A 115 -12.326 9.939 -11.379 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -14.495 9.284 -13.418 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -12.947 10.039 -13.742 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.422 7.084 -13.548 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -13.404 8.029 -15.024 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -11.137 9.659 -14.394 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -9.738 8.581 -14.420 1.00 0.00 H new ATOM 467 N LYS A 116 -15.482 9.889 -11.132 1.00 0.00 N ATOM 468 CA LYS A 116 -16.859 10.374 -11.178 1.00 0.00 C ATOM 469 C LYS A 116 -17.843 10.141 -10.038 1.00 0.00 C ATOM 470 O LYS A 116 -17.584 9.493 -9.026 1.00 0.00 O ATOM 471 CB LYS A 116 -17.231 9.522 -12.399 1.00 0.00 C ATOM 472 CG LYS A 116 -17.155 7.990 -12.355 1.00 0.00 C ATOM 473 CD LYS A 116 -18.422 7.371 -11.771 1.00 0.00 C ATOM 474 CE LYS A 116 -18.543 5.850 -11.842 1.00 0.00 C ATOM 475 NZ LYS A 116 -18.942 5.381 -13.176 1.00 0.00 N ATOM 0 H LYS A 116 -15.431 8.952 -10.732 1.00 0.00 H new ATOM 0 HA LYS A 116 -16.916 11.462 -11.161 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -18.255 9.782 -12.668 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -16.593 9.848 -13.220 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -16.995 7.606 -13.362 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.295 7.687 -11.758 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -18.494 7.669 -10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.280 7.804 -12.286 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -17.588 5.399 -11.572 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.274 5.512 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -19.570 4.557 -13.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -19.443 6.143 -13.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -18.096 5.111 -13.716 1.00 0.00 H new ATOM 489 N VAL A 117 -19.027 10.655 -10.327 1.00 0.00 N ATOM 490 CA VAL A 117 -20.255 10.510 -9.543 1.00 0.00 C ATOM 491 C VAL A 117 -21.332 10.481 -10.625 1.00 0.00 C ATOM 492 O VAL A 117 -21.905 11.523 -10.943 1.00 0.00 O ATOM 493 CB VAL A 117 -20.378 11.542 -8.418 1.00 0.00 C ATOM 494 CG1 VAL A 117 -20.331 13.024 -8.791 1.00 0.00 C ATOM 495 CG2 VAL A 117 -21.589 11.276 -7.525 1.00 0.00 C ATOM 0 H VAL A 117 -19.171 11.219 -11.164 1.00 0.00 H new ATOM 0 HA VAL A 117 -20.318 9.608 -8.934 1.00 0.00 H new ATOM 0 HB VAL A 117 -19.445 11.376 -7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -20.430 13.629 -7.890 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -19.380 13.247 -9.275 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -21.149 13.253 -9.474 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -21.636 12.032 -6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -22.499 11.317 -8.124 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -21.497 10.289 -7.072 1.00 0.00 H new ATOM 505 N GLY A 118 -21.602 9.331 -11.226 1.00 0.00 N ATOM 506 CA GLY A 118 -22.582 9.183 -12.301 1.00 0.00 C ATOM 507 C GLY A 118 -22.162 8.216 -13.399 1.00 0.00 C ATOM 508 O GLY A 118 -22.209 7.003 -13.192 1.00 0.00 O ATOM 0 H GLY A 118 -21.139 8.456 -10.978 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -23.525 8.842 -11.873 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -22.768 10.161 -12.745 1.00 0.00 H new ATOM 512 N GLU A 119 -21.765 8.737 -14.548 1.00 0.00 N ATOM 513 CA GLU A 119 -21.358 7.968 -15.726 1.00 0.00 C ATOM 514 C GLU A 119 -19.974 7.328 -15.675 1.00 0.00 C ATOM 515 O GLU A 119 -19.140 7.688 -14.846 1.00 0.00 O ATOM 516 CB GLU A 119 -21.544 8.851 -16.962 1.00 0.00 C ATOM 517 CG GLU A 119 -22.987 9.057 -17.427 1.00 0.00 C ATOM 518 CD GLU A 119 -23.120 9.586 -18.846 1.00 0.00 C ATOM 519 OE1 GLU A 119 -23.138 8.766 -19.789 1.00 0.00 O ATOM 520 OE2 GLU A 119 -23.232 10.819 -19.024 1.00 0.00 O ATOM 0 H GLU A 119 -21.713 9.745 -14.698 1.00 0.00 H new ATOM 0 HA GLU A 119 -22.008 7.094 -15.765 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -21.107 9.828 -16.756 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -20.977 8.415 -17.784 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -23.518 8.108 -17.355 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -23.480 9.751 -16.746 1.00 0.00 H new ATOM 527 N GLU A 120 -19.695 6.341 -16.513 1.00 0.00 N ATOM 528 CA GLU A 120 -18.420 5.621 -16.541 1.00 0.00 C ATOM 529 C GLU A 120 -17.398 6.176 -17.531 1.00 0.00 C ATOM 530 O GLU A 120 -17.734 6.223 -18.714 1.00 0.00 O ATOM 531 CB GLU A 120 -18.685 4.131 -16.751 1.00 0.00 C ATOM 532 CG GLU A 120 -17.620 3.139 -16.284 1.00 0.00 C ATOM 533 CD GLU A 120 -17.431 3.024 -14.780 1.00 0.00 C ATOM 534 OE1 GLU A 120 -16.905 3.975 -14.163 1.00 0.00 O ATOM 535 OE2 GLU A 120 -17.883 2.021 -14.187 1.00 0.00 O ATOM 0 H GLU A 120 -20.360 6.007 -17.210 1.00 0.00 H new ATOM 0 HA GLU A 120 -17.946 5.773 -15.571 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -19.617 3.883 -16.244 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -18.849 3.968 -17.816 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -17.873 2.154 -16.675 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -16.667 3.423 -16.729 1.00 0.00 H new ATOM 542 N PRO A 121 -16.172 6.535 -17.170 1.00 0.00 N ATOM 543 CA PRO A 121 -15.202 7.151 -18.081 1.00 0.00 C ATOM 544 C PRO A 121 -13.838 6.494 -17.901 1.00 0.00 C ATOM 545 O PRO A 121 -12.877 7.112 -17.442 1.00 0.00 O ATOM 546 CB PRO A 121 -15.339 8.539 -17.452 1.00 0.00 C ATOM 547 CG PRO A 121 -15.781 8.331 -16.003 1.00 0.00 C ATOM 548 CD PRO A 121 -15.764 6.820 -15.793 1.00 0.00 C ATOM 0 HA PRO A 121 -15.337 7.098 -19.161 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -14.391 9.076 -17.493 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -16.069 9.139 -17.996 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -15.106 8.833 -15.310 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -16.776 8.741 -15.832 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -14.786 6.419 -15.527 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -16.468 6.468 -15.039 1.00 0.00 H new ATOM 556 N LEU A 122 -13.791 5.233 -18.294 1.00 0.00 N ATOM 557 CA LEU A 122 -12.724 4.348 -17.826 1.00 0.00 C ATOM 558 C LEU A 122 -11.701 3.594 -18.665 1.00 0.00 C ATOM 559 O LEU A 122 -11.825 3.353 -19.865 1.00 0.00 O ATOM 560 CB LEU A 122 -13.600 3.372 -17.034 1.00 0.00 C ATOM 561 CG LEU A 122 -14.203 2.062 -17.551 1.00 0.00 C ATOM 562 CD1 LEU A 122 -14.989 2.136 -18.859 1.00 0.00 C ATOM 563 CD2 LEU A 122 -13.250 0.868 -17.571 1.00 0.00 C ATOM 0 H LEU A 122 -14.464 4.799 -18.925 1.00 0.00 H new ATOM 0 HA LEU A 122 -11.957 4.991 -17.395 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -13.012 3.097 -16.159 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -14.445 3.961 -16.678 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.942 1.883 -16.770 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -15.363 1.145 -19.116 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -15.829 2.821 -18.741 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -14.337 2.495 -19.655 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -13.773 -0.009 -17.953 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -12.399 1.092 -18.215 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -12.897 0.668 -16.560 1.00 0.00 H new ATOM 575 N THR A 123 -10.716 3.178 -17.885 1.00 0.00 N ATOM 576 CA THR A 123 -9.614 2.294 -18.252 1.00 0.00 C ATOM 577 C THR A 123 -9.542 1.415 -17.010 1.00 0.00 C ATOM 578 O THR A 123 -9.329 1.850 -15.878 1.00 0.00 O ATOM 579 CB THR A 123 -8.238 2.909 -18.496 1.00 0.00 C ATOM 580 OG1 THR A 123 -7.909 3.893 -17.526 1.00 0.00 O ATOM 581 CG2 THR A 123 -8.158 3.677 -19.810 1.00 0.00 C ATOM 0 H THR A 123 -10.659 3.468 -16.909 1.00 0.00 H new ATOM 0 HA THR A 123 -9.820 1.834 -19.219 1.00 0.00 H new ATOM 0 HB THR A 123 -7.569 2.049 -18.475 1.00 0.00 H new ATOM 0 HG1 THR A 123 -7.021 4.259 -17.719 1.00 0.00 H new ATOM 0 HG21 THR A 123 -7.157 4.091 -19.929 1.00 0.00 H new ATOM 0 HG22 THR A 123 -8.372 3.003 -20.639 1.00 0.00 H new ATOM 0 HG23 THR A 123 -8.887 4.487 -19.803 1.00 0.00 H new ATOM 589 N ASP A 124 -9.725 0.129 -17.257 1.00 0.00 N ATOM 590 CA ASP A 124 -9.676 -0.906 -16.225 1.00 0.00 C ATOM 591 C ASP A 124 -8.327 -1.145 -15.558 1.00 0.00 C ATOM 592 O ASP A 124 -8.288 -1.369 -14.349 1.00 0.00 O ATOM 593 CB ASP A 124 -10.279 -2.179 -16.817 1.00 0.00 C ATOM 594 CG ASP A 124 -9.603 -2.883 -17.984 1.00 0.00 C ATOM 595 OD1 ASP A 124 -9.673 -2.357 -19.117 1.00 0.00 O ATOM 596 OD2 ASP A 124 -8.993 -3.954 -17.779 1.00 0.00 O ATOM 0 H ASP A 124 -9.915 -0.236 -18.191 1.00 0.00 H new ATOM 0 HA ASP A 124 -10.264 -0.543 -15.382 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -10.359 -2.904 -16.007 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -11.295 -1.938 -17.131 1.00 0.00 H new ATOM 601 N ALA A 125 -7.255 -1.055 -16.328 1.00 0.00 N ATOM 602 CA ALA A 125 -5.883 -1.214 -15.845 1.00 0.00 C ATOM 603 C ALA A 125 -5.506 -0.322 -14.669 1.00 0.00 C ATOM 604 O ALA A 125 -4.930 -0.849 -13.717 1.00 0.00 O ATOM 605 CB ALA A 125 -4.917 -1.073 -17.019 1.00 0.00 C ATOM 0 H ALA A 125 -7.310 -0.865 -17.329 1.00 0.00 H new ATOM 0 HA ALA A 125 -5.810 -2.218 -15.427 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -3.893 -1.191 -16.664 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.134 -1.840 -17.763 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.034 -0.087 -17.470 1.00 0.00 H new ATOM 611 N GLU A 126 -5.842 0.959 -14.666 1.00 0.00 N ATOM 612 CA GLU A 126 -5.575 1.842 -13.529 1.00 0.00 C ATOM 613 C GLU A 126 -6.266 1.429 -12.231 1.00 0.00 C ATOM 614 O GLU A 126 -5.609 1.274 -11.202 1.00 0.00 O ATOM 615 CB GLU A 126 -5.843 3.304 -13.894 1.00 0.00 C ATOM 616 CG GLU A 126 -7.184 3.738 -14.481 1.00 0.00 C ATOM 617 CD GLU A 126 -7.415 5.241 -14.487 1.00 0.00 C ATOM 618 OE1 GLU A 126 -7.822 5.779 -13.435 1.00 0.00 O ATOM 619 OE2 GLU A 126 -7.207 5.886 -15.537 1.00 0.00 O ATOM 0 H GLU A 126 -6.307 1.420 -15.448 1.00 0.00 H new ATOM 0 HA GLU A 126 -4.512 1.735 -13.312 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -5.686 3.892 -12.990 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -5.073 3.601 -14.606 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -7.255 3.369 -15.504 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -7.985 3.263 -13.914 1.00 0.00 H new ATOM 626 N VAL A 127 -7.563 1.170 -12.306 1.00 0.00 N ATOM 627 CA VAL A 127 -8.406 0.754 -11.184 1.00 0.00 C ATOM 628 C VAL A 127 -8.067 -0.639 -10.656 1.00 0.00 C ATOM 629 O VAL A 127 -7.940 -0.808 -9.443 1.00 0.00 O ATOM 630 CB VAL A 127 -9.848 1.080 -11.595 1.00 0.00 C ATOM 631 CG1 VAL A 127 -10.822 0.074 -12.206 1.00 0.00 C ATOM 632 CG2 VAL A 127 -10.609 1.770 -10.466 1.00 0.00 C ATOM 0 H VAL A 127 -8.081 1.245 -13.181 1.00 0.00 H new ATOM 0 HA VAL A 127 -8.217 1.308 -10.265 1.00 0.00 H new ATOM 0 HB VAL A 127 -9.568 1.678 -12.462 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -11.775 0.564 -12.403 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -10.411 -0.309 -13.140 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -10.975 -0.752 -11.511 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -11.626 1.986 -10.792 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -10.638 1.116 -9.594 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -10.106 2.701 -10.204 1.00 0.00 H new ATOM 642 N GLU A 128 -7.813 -1.605 -11.526 1.00 0.00 N ATOM 643 CA GLU A 128 -7.401 -2.965 -11.178 1.00 0.00 C ATOM 644 C GLU A 128 -6.025 -2.986 -10.519 1.00 0.00 C ATOM 645 O GLU A 128 -5.899 -3.571 -9.443 1.00 0.00 O ATOM 646 CB GLU A 128 -7.572 -3.805 -12.446 1.00 0.00 C ATOM 647 CG GLU A 128 -7.890 -5.293 -12.304 1.00 0.00 C ATOM 648 CD GLU A 128 -6.745 -6.241 -11.991 1.00 0.00 C ATOM 649 OE1 GLU A 128 -5.796 -6.348 -12.797 1.00 0.00 O ATOM 650 OE2 GLU A 128 -6.817 -6.922 -10.946 1.00 0.00 O ATOM 0 H GLU A 128 -7.890 -1.462 -12.533 1.00 0.00 H new ATOM 0 HA GLU A 128 -8.022 -3.413 -10.403 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -8.368 -3.352 -13.037 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -6.654 -3.717 -13.027 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -8.637 -5.401 -11.518 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -8.354 -5.625 -13.233 1.00 0.00 H new ATOM 657 N GLU A 129 -5.014 -2.329 -11.067 1.00 0.00 N ATOM 658 CA GLU A 129 -3.690 -2.208 -10.451 1.00 0.00 C ATOM 659 C GLU A 129 -3.731 -1.560 -9.070 1.00 0.00 C ATOM 660 O GLU A 129 -3.205 -2.158 -8.131 1.00 0.00 O ATOM 661 CB GLU A 129 -2.696 -1.523 -11.389 1.00 0.00 C ATOM 662 CG GLU A 129 -2.260 -2.284 -12.641 1.00 0.00 C ATOM 663 CD GLU A 129 -1.658 -3.670 -12.471 1.00 0.00 C ATOM 664 OE1 GLU A 129 -0.879 -3.914 -11.525 1.00 0.00 O ATOM 665 OE2 GLU A 129 -2.017 -4.564 -13.268 1.00 0.00 O ATOM 0 H GLU A 129 -5.086 -1.855 -11.967 1.00 0.00 H new ATOM 0 HA GLU A 129 -3.330 -3.223 -10.285 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -3.133 -0.576 -11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -1.802 -1.284 -10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.129 -2.377 -13.293 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -1.531 -1.668 -13.167 1.00 0.00 H new ATOM 672 N ALA A 130 -4.395 -0.425 -8.913 1.00 0.00 N ATOM 673 CA ALA A 130 -4.543 0.236 -7.617 1.00 0.00 C ATOM 674 C ALA A 130 -5.216 -0.613 -6.542 1.00 0.00 C ATOM 675 O ALA A 130 -4.635 -0.713 -5.461 1.00 0.00 O ATOM 676 CB ALA A 130 -5.216 1.585 -7.855 1.00 0.00 C ATOM 0 H ALA A 130 -4.850 0.069 -9.681 1.00 0.00 H new ATOM 0 HA ALA A 130 -3.553 0.394 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -5.340 2.103 -6.904 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -4.597 2.189 -8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -6.193 1.429 -8.313 1.00 0.00 H new ATOM 682 N MET A 131 -6.345 -1.264 -6.790 1.00 0.00 N ATOM 683 CA MET A 131 -6.947 -2.131 -5.774 1.00 0.00 C ATOM 684 C MET A 131 -6.154 -3.411 -5.529 1.00 0.00 C ATOM 685 O MET A 131 -6.185 -3.854 -4.382 1.00 0.00 O ATOM 686 CB MET A 131 -8.432 -2.392 -6.028 1.00 0.00 C ATOM 687 CG MET A 131 -9.311 -2.418 -4.779 1.00 0.00 C ATOM 688 SD MET A 131 -9.098 -3.937 -3.839 1.00 0.00 S ATOM 689 CE MET A 131 -10.456 -3.739 -2.675 1.00 0.00 C ATOM 0 H MET A 131 -6.859 -1.213 -7.670 1.00 0.00 H new ATOM 0 HA MET A 131 -6.893 -1.572 -4.840 1.00 0.00 H new ATOM 0 HB2 MET A 131 -8.809 -1.623 -6.702 1.00 0.00 H new ATOM 0 HB3 MET A 131 -8.534 -3.347 -6.544 1.00 0.00 H new ATOM 0 HG2 MET A 131 -9.069 -1.563 -4.147 1.00 0.00 H new ATOM 0 HG3 MET A 131 -10.357 -2.314 -5.069 1.00 0.00 H new ATOM 0 HE1 MET A 131 -10.235 -4.290 -1.761 1.00 0.00 H new ATOM 0 HE2 MET A 131 -10.583 -2.682 -2.440 1.00 0.00 H new ATOM 0 HE3 MET A 131 -11.374 -4.125 -3.118 1.00 0.00 H new ATOM 699 N LYS A 132 -5.468 -4.022 -6.483 1.00 0.00 N ATOM 700 CA LYS A 132 -4.569 -5.146 -6.206 1.00 0.00 C ATOM 701 C LYS A 132 -3.451 -4.720 -5.258 1.00 0.00 C ATOM 702 O LYS A 132 -3.191 -5.454 -4.306 1.00 0.00 O ATOM 703 CB LYS A 132 -3.913 -5.736 -7.453 1.00 0.00 C ATOM 704 CG LYS A 132 -4.760 -6.582 -8.402 1.00 0.00 C ATOM 705 CD LYS A 132 -3.986 -7.105 -9.612 1.00 0.00 C ATOM 706 CE LYS A 132 -3.491 -5.998 -10.543 1.00 0.00 C ATOM 707 NZ LYS A 132 -3.312 -6.449 -11.933 1.00 0.00 N ATOM 0 H LYS A 132 -5.514 -3.759 -7.467 1.00 0.00 H new ATOM 0 HA LYS A 132 -5.205 -5.911 -5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -3.498 -4.909 -8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -3.073 -6.349 -7.125 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -5.172 -7.428 -7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -5.604 -5.987 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -3.132 -7.685 -9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -4.625 -7.785 -10.176 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -4.201 -5.171 -10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -2.543 -5.613 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -2.477 -5.985 -12.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -3.178 -7.480 -11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -4.154 -6.200 -12.490 1.00 0.00 H new ATOM 721 N GLU A 133 -2.786 -3.593 -5.470 1.00 0.00 N ATOM 722 CA GLU A 133 -1.781 -3.066 -4.547 1.00 0.00 C ATOM 723 C GLU A 133 -2.309 -2.787 -3.142 1.00 0.00 C ATOM 724 O GLU A 133 -1.580 -3.047 -2.185 1.00 0.00 O ATOM 725 CB GLU A 133 -1.155 -1.797 -5.129 1.00 0.00 C ATOM 726 CG GLU A 133 -0.275 -1.954 -6.369 1.00 0.00 C ATOM 727 CD GLU A 133 0.305 -0.640 -6.868 1.00 0.00 C ATOM 728 OE1 GLU A 133 -0.368 0.052 -7.661 1.00 0.00 O ATOM 729 OE2 GLU A 133 1.438 -0.298 -6.466 1.00 0.00 O ATOM 0 H GLU A 133 -2.928 -3.010 -6.295 1.00 0.00 H new ATOM 0 HA GLU A 133 -1.031 -3.850 -4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -1.961 -1.105 -5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -0.557 -1.327 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 133 0.541 -2.640 -6.142 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -0.862 -2.410 -7.167 1.00 0.00 H new ATOM 736 N ALA A 134 -3.529 -2.291 -3.001 1.00 0.00 N ATOM 737 CA ALA A 134 -4.133 -1.994 -1.702 1.00 0.00 C ATOM 738 C ALA A 134 -4.817 -3.108 -0.915 1.00 0.00 C ATOM 739 O ALA A 134 -4.927 -2.915 0.295 1.00 0.00 O ATOM 740 CB ALA A 134 -4.995 -0.749 -1.901 1.00 0.00 C ATOM 0 H ALA A 134 -4.138 -2.079 -3.792 1.00 0.00 H new ATOM 0 HA ALA A 134 -3.307 -1.832 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -5.472 -0.482 -0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.369 0.077 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -5.761 -0.952 -2.650 1.00 0.00 H new ATOM 746 N ASP A 135 -5.277 -4.225 -1.459 1.00 0.00 N ATOM 747 CA ASP A 135 -5.867 -5.310 -0.672 1.00 0.00 C ATOM 748 C ASP A 135 -4.790 -6.297 -0.230 1.00 0.00 C ATOM 749 O ASP A 135 -4.154 -6.972 -1.040 1.00 0.00 O ATOM 750 CB ASP A 135 -7.002 -6.062 -1.373 1.00 0.00 C ATOM 751 CG ASP A 135 -7.638 -7.244 -0.650 1.00 0.00 C ATOM 752 OD1 ASP A 135 -7.683 -7.298 0.599 1.00 0.00 O ATOM 753 OD2 ASP A 135 -8.057 -8.201 -1.336 1.00 0.00 O ATOM 0 H ASP A 135 -5.254 -4.410 -2.462 1.00 0.00 H new ATOM 0 HA ASP A 135 -6.317 -4.823 0.193 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -7.791 -5.343 -1.594 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -6.622 -6.422 -2.329 1.00 0.00 H new ATOM 758 N GLU A 136 -4.612 -6.403 1.075 1.00 0.00 N ATOM 759 CA GLU A 136 -3.691 -7.353 1.701 1.00 0.00 C ATOM 760 C GLU A 136 -4.189 -8.787 1.850 1.00 0.00 C ATOM 761 O GLU A 136 -3.354 -9.691 1.890 1.00 0.00 O ATOM 762 CB GLU A 136 -3.196 -6.781 3.032 1.00 0.00 C ATOM 763 CG GLU A 136 -2.463 -5.441 2.949 1.00 0.00 C ATOM 764 CD GLU A 136 -1.360 -5.183 3.963 1.00 0.00 C ATOM 765 OE1 GLU A 136 -1.684 -4.936 5.145 1.00 0.00 O ATOM 766 OE2 GLU A 136 -0.170 -5.227 3.584 1.00 0.00 O ATOM 0 H GLU A 136 -5.111 -5.822 1.749 1.00 0.00 H new ATOM 0 HA GLU A 136 -2.866 -7.461 0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -4.052 -6.665 3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -2.530 -7.510 3.494 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -2.031 -5.355 1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -3.202 -4.646 3.046 1.00 0.00 H new ATOM 773 N ASP A 137 -5.482 -9.045 1.976 1.00 0.00 N ATOM 774 CA ASP A 137 -6.026 -10.381 2.237 1.00 0.00 C ATOM 775 C ASP A 137 -6.515 -11.230 1.067 1.00 0.00 C ATOM 776 O ASP A 137 -6.633 -12.444 1.234 1.00 0.00 O ATOM 777 CB ASP A 137 -7.097 -10.148 3.305 1.00 0.00 C ATOM 778 CG ASP A 137 -8.000 -11.302 3.718 1.00 0.00 C ATOM 779 OD1 ASP A 137 -8.976 -11.581 2.987 1.00 0.00 O ATOM 780 OD2 ASP A 137 -7.749 -11.934 4.767 1.00 0.00 O ATOM 0 H ASP A 137 -6.199 -8.324 1.899 1.00 0.00 H new ATOM 0 HA ASP A 137 -5.203 -11.024 2.550 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -6.593 -9.789 4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -7.738 -9.339 2.955 1.00 0.00 H new ATOM 785 N GLY A 138 -6.720 -10.697 -0.125 1.00 0.00 N ATOM 786 CA GLY A 138 -7.318 -11.430 -1.241 1.00 0.00 C ATOM 787 C GLY A 138 -8.842 -11.523 -1.236 1.00 0.00 C ATOM 788 O GLY A 138 -9.388 -12.145 -2.148 1.00 0.00 O ATOM 0 H GLY A 138 -6.475 -9.733 -0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.005 -10.956 -2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.911 -12.441 -1.246 1.00 0.00 H new ATOM 792 N ASN A 139 -9.532 -10.885 -0.304 1.00 0.00 N ATOM 793 CA ASN A 139 -10.994 -10.818 -0.229 1.00 0.00 C ATOM 794 C ASN A 139 -11.639 -9.766 -1.127 1.00 0.00 C ATOM 795 O ASN A 139 -12.765 -10.006 -1.561 1.00 0.00 O ATOM 796 CB ASN A 139 -11.490 -10.609 1.205 1.00 0.00 C ATOM 797 CG ASN A 139 -11.093 -9.356 1.979 1.00 0.00 C ATOM 798 OD1 ASN A 139 -10.136 -8.671 1.621 1.00 0.00 O ATOM 799 ND2 ASN A 139 -11.715 -8.947 3.070 1.00 0.00 N ATOM 0 H ASN A 139 -9.076 -10.377 0.454 1.00 0.00 H new ATOM 0 HA ASN A 139 -11.308 -11.794 -0.600 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -12.579 -10.641 1.178 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -11.160 -11.468 1.789 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -11.393 -8.111 3.558 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -12.518 -9.467 3.425 1.00 0.00 H new ATOM 806 N GLY A 140 -11.002 -8.639 -1.406 1.00 0.00 N ATOM 807 CA GLY A 140 -11.607 -7.561 -2.189 1.00 0.00 C ATOM 808 C GLY A 140 -12.225 -6.423 -1.383 1.00 0.00 C ATOM 809 O GLY A 140 -13.107 -5.746 -1.908 1.00 0.00 O ATOM 0 H GLY A 140 -10.050 -8.441 -1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -10.845 -7.143 -2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -12.379 -7.990 -2.828 1.00 0.00 H new ATOM 813 N VAL A 141 -11.810 -6.226 -0.142 1.00 0.00 N ATOM 814 CA VAL A 141 -12.271 -5.174 0.765 1.00 0.00 C ATOM 815 C VAL A 141 -11.047 -4.724 1.552 1.00 0.00 C ATOM 816 O VAL A 141 -10.109 -5.467 1.844 1.00 0.00 O ATOM 817 CB VAL A 141 -13.427 -5.497 1.717 1.00 0.00 C ATOM 818 CG1 VAL A 141 -14.395 -4.325 1.853 1.00 0.00 C ATOM 819 CG2 VAL A 141 -14.296 -6.699 1.351 1.00 0.00 C ATOM 0 H VAL A 141 -11.105 -6.825 0.288 1.00 0.00 H new ATOM 0 HA VAL A 141 -12.714 -4.403 0.135 1.00 0.00 H new ATOM 0 HB VAL A 141 -12.892 -5.726 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -15.200 -4.595 2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -13.863 -3.457 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -14.814 -4.084 0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -15.078 -6.824 2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -14.752 -6.535 0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -13.679 -7.597 1.317 1.00 0.00 H new ATOM 829 N ILE A 142 -11.107 -3.461 1.935 1.00 0.00 N ATOM 830 CA ILE A 142 -10.021 -2.779 2.634 1.00 0.00 C ATOM 831 C ILE A 142 -10.536 -1.824 3.703 1.00 0.00 C ATOM 832 O ILE A 142 -11.378 -0.971 3.432 1.00 0.00 O ATOM 833 CB ILE A 142 -9.154 -1.930 1.697 1.00 0.00 C ATOM 834 CG1 ILE A 142 -9.110 -2.233 0.198 1.00 0.00 C ATOM 835 CG2 ILE A 142 -7.727 -1.918 2.238 1.00 0.00 C ATOM 836 CD1 ILE A 142 -8.270 -1.255 -0.620 1.00 0.00 C ATOM 0 H ILE A 142 -11.920 -2.868 1.769 1.00 0.00 H new ATOM 0 HA ILE A 142 -9.436 -3.587 3.073 1.00 0.00 H new ATOM 0 HB ILE A 142 -9.668 -0.969 1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 142 -8.716 -3.239 0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 142 -10.128 -2.231 -0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 142 -7.095 -1.318 1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 142 -7.721 -1.490 3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 142 -7.344 -2.938 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 142 -8.294 -1.545 -1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 142 -8.675 -0.249 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 142 -7.240 -1.272 -0.263 1.00 0.00 H new ATOM 848 N ASP A 143 -9.955 -1.938 4.884 1.00 0.00 N ATOM 849 CA ASP A 143 -10.123 -1.014 6.004 1.00 0.00 C ATOM 850 C ASP A 143 -8.834 -0.198 6.050 1.00 0.00 C ATOM 851 O ASP A 143 -7.809 -0.555 5.468 1.00 0.00 O ATOM 852 CB ASP A 143 -10.483 -1.778 7.278 1.00 0.00 C ATOM 853 CG ASP A 143 -9.552 -2.819 7.883 1.00 0.00 C ATOM 854 OD1 ASP A 143 -8.340 -2.842 7.575 1.00 0.00 O ATOM 855 OD2 ASP A 143 -10.038 -3.602 8.726 1.00 0.00 O ATOM 0 H ASP A 143 -9.325 -2.709 5.104 1.00 0.00 H new ATOM 0 HA ASP A 143 -10.959 -0.324 5.892 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -10.665 -1.032 8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 143 -11.433 -2.278 7.087 1.00 0.00 H new ATOM 860 N ILE A 144 -8.806 0.930 6.743 1.00 0.00 N ATOM 861 CA ILE A 144 -7.606 1.766 6.819 1.00 0.00 C ATOM 862 C ILE A 144 -6.394 1.004 7.358 1.00 0.00 C ATOM 863 O ILE A 144 -5.372 1.210 6.706 1.00 0.00 O ATOM 864 CB ILE A 144 -7.744 3.070 7.618 1.00 0.00 C ATOM 865 CG1 ILE A 144 -8.981 3.926 7.334 1.00 0.00 C ATOM 866 CG2 ILE A 144 -6.518 3.989 7.633 1.00 0.00 C ATOM 867 CD1 ILE A 144 -9.652 4.547 8.557 1.00 0.00 C ATOM 0 H ILE A 144 -9.603 1.294 7.266 1.00 0.00 H new ATOM 0 HA ILE A 144 -7.457 2.045 5.776 1.00 0.00 H new ATOM 0 HB ILE A 144 -7.861 2.629 8.608 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -8.697 4.728 6.652 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -9.715 3.310 6.814 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -6.736 4.876 8.228 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -5.671 3.459 8.069 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -6.274 4.287 6.613 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -10.516 5.131 8.241 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -9.977 3.757 9.234 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -8.943 5.196 9.070 1.00 0.00 H new ATOM 879 N PRO A 145 -6.359 0.183 8.402 1.00 0.00 N ATOM 880 CA PRO A 145 -5.178 -0.563 8.840 1.00 0.00 C ATOM 881 C PRO A 145 -4.378 -1.339 7.799 1.00 0.00 C ATOM 882 O PRO A 145 -3.153 -1.364 7.915 1.00 0.00 O ATOM 883 CB PRO A 145 -5.652 -1.412 10.018 1.00 0.00 C ATOM 884 CG PRO A 145 -6.806 -0.599 10.596 1.00 0.00 C ATOM 885 CD PRO A 145 -7.463 -0.056 9.330 1.00 0.00 C ATOM 0 HA PRO A 145 -4.408 0.158 9.114 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -5.979 -2.401 9.695 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -4.859 -1.562 10.751 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -7.489 -1.215 11.180 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -6.457 0.199 11.251 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -8.177 -0.770 8.919 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -8.013 0.863 9.534 1.00 0.00 H new ATOM 893 N GLU A 146 -5.010 -1.948 6.809 1.00 0.00 N ATOM 894 CA GLU A 146 -4.336 -2.615 5.691 1.00 0.00 C ATOM 895 C GLU A 146 -3.517 -1.623 4.869 1.00 0.00 C ATOM 896 O GLU A 146 -2.295 -1.759 4.820 1.00 0.00 O ATOM 897 CB GLU A 146 -5.394 -3.305 4.830 1.00 0.00 C ATOM 898 CG GLU A 146 -5.964 -4.637 5.316 1.00 0.00 C ATOM 899 CD GLU A 146 -6.973 -5.212 4.334 1.00 0.00 C ATOM 900 OE1 GLU A 146 -6.598 -5.435 3.162 1.00 0.00 O ATOM 901 OE2 GLU A 146 -8.142 -5.430 4.719 1.00 0.00 O ATOM 0 H GLU A 146 -6.027 -1.997 6.753 1.00 0.00 H new ATOM 0 HA GLU A 146 -3.637 -3.357 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -6.226 -2.612 4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -4.965 -3.467 3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -5.151 -5.349 5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -6.441 -4.496 6.286 1.00 0.00 H new ATOM 908 N PHE A 147 -4.142 -0.611 4.287 1.00 0.00 N ATOM 909 CA PHE A 147 -3.513 0.472 3.528 1.00 0.00 C ATOM 910 C PHE A 147 -2.294 1.072 4.220 1.00 0.00 C ATOM 911 O PHE A 147 -1.224 1.147 3.616 1.00 0.00 O ATOM 912 CB PHE A 147 -4.602 1.480 3.152 1.00 0.00 C ATOM 913 CG PHE A 147 -4.215 2.891 2.757 1.00 0.00 C ATOM 914 CD1 PHE A 147 -4.019 3.803 3.734 1.00 0.00 C ATOM 915 CD2 PHE A 147 -4.085 3.267 1.468 1.00 0.00 C ATOM 916 CE1 PHE A 147 -3.677 5.071 3.429 1.00 0.00 C ATOM 917 CE2 PHE A 147 -3.765 4.540 1.160 1.00 0.00 C ATOM 918 CZ PHE A 147 -3.552 5.439 2.140 1.00 0.00 C ATOM 0 H PHE A 147 -5.156 -0.513 4.331 1.00 0.00 H new ATOM 0 HA PHE A 147 -3.081 0.077 2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -5.168 1.054 2.324 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -5.284 1.554 3.999 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -4.137 3.514 4.768 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -4.238 2.545 0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -3.504 5.789 4.217 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -3.679 4.839 0.126 1.00 0.00 H new ATOM 0 HZ PHE A 147 -3.281 6.455 1.892 1.00 0.00 H new ATOM 928 N MET A 148 -2.437 1.467 5.475 1.00 0.00 N ATOM 929 CA MET A 148 -1.316 2.004 6.245 1.00 0.00 C ATOM 930 C MET A 148 -0.200 0.993 6.476 1.00 0.00 C ATOM 931 O MET A 148 0.947 1.435 6.491 1.00 0.00 O ATOM 932 CB MET A 148 -1.733 2.725 7.525 1.00 0.00 C ATOM 933 CG MET A 148 -2.625 2.173 8.635 1.00 0.00 C ATOM 934 SD MET A 148 -2.039 2.757 10.236 1.00 0.00 S ATOM 935 CE MET A 148 -1.974 4.549 10.048 1.00 0.00 C ATOM 0 H MET A 148 -3.318 1.427 5.987 1.00 0.00 H new ATOM 0 HA MET A 148 -0.891 2.777 5.604 1.00 0.00 H new ATOM 0 HB2 MET A 148 -0.802 3.009 8.015 1.00 0.00 H new ATOM 0 HB3 MET A 148 -2.214 3.646 7.196 1.00 0.00 H new ATOM 0 HG2 MET A 148 -3.656 2.490 8.477 1.00 0.00 H new ATOM 0 HG3 MET A 148 -2.619 1.083 8.611 1.00 0.00 H new ATOM 0 HE1 MET A 148 -1.835 5.012 11.025 1.00 0.00 H new ATOM 0 HE2 MET A 148 -1.141 4.817 9.397 1.00 0.00 H new ATOM 0 HE3 MET A 148 -2.906 4.903 9.608 1.00 0.00 H new ATOM 945 N ASP A 149 -0.433 -0.297 6.654 1.00 0.00 N ATOM 946 CA ASP A 149 0.652 -1.277 6.730 1.00 0.00 C ATOM 947 C ASP A 149 1.375 -1.421 5.393 1.00 0.00 C ATOM 948 O ASP A 149 2.599 -1.288 5.426 1.00 0.00 O ATOM 949 CB ASP A 149 0.151 -2.584 7.344 1.00 0.00 C ATOM 950 CG ASP A 149 1.192 -3.252 8.232 1.00 0.00 C ATOM 951 OD1 ASP A 149 1.536 -2.655 9.276 1.00 0.00 O ATOM 952 OD2 ASP A 149 1.696 -4.343 7.894 1.00 0.00 O ATOM 0 H ASP A 149 -1.366 -0.697 6.750 1.00 0.00 H new ATOM 0 HA ASP A 149 1.422 -0.915 7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -0.747 -2.385 7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -0.134 -3.270 6.546 1.00 0.00 H new ATOM 957 N LEU A 150 0.697 -1.539 4.259 1.00 0.00 N ATOM 958 CA LEU A 150 1.382 -1.621 2.966 1.00 0.00 C ATOM 959 C LEU A 150 2.144 -0.353 2.587 1.00 0.00 C ATOM 960 O LEU A 150 3.144 -0.509 1.886 1.00 0.00 O ATOM 961 CB LEU A 150 0.568 -2.198 1.804 1.00 0.00 C ATOM 962 CG LEU A 150 -0.652 -1.711 1.015 1.00 0.00 C ATOM 963 CD1 LEU A 150 -2.000 -2.274 1.460 1.00 0.00 C ATOM 964 CD2 LEU A 150 -0.781 -0.263 0.551 1.00 0.00 C ATOM 0 H LEU A 150 -0.321 -1.580 4.203 1.00 0.00 H new ATOM 0 HA LEU A 150 2.134 -2.387 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 150 1.317 -2.372 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 150 0.258 -3.176 2.173 1.00 0.00 H new ATOM 0 HG LEU A 150 -0.337 -2.194 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -2.791 -1.862 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -1.990 -3.360 1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -2.182 -2.003 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -1.720 -0.136 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -0.768 0.399 1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 150 0.052 -0.016 -0.107 1.00 0.00 H new ATOM 976 N ILE A 151 1.804 0.847 3.031 1.00 0.00 N ATOM 977 CA ILE A 151 2.585 2.061 2.779 1.00 0.00 C ATOM 978 C ILE A 151 3.631 2.257 3.875 1.00 0.00 C ATOM 979 O ILE A 151 4.816 2.353 3.558 1.00 0.00 O ATOM 980 CB ILE A 151 1.724 3.314 2.585 1.00 0.00 C ATOM 981 CG1 ILE A 151 0.683 3.195 1.470 1.00 0.00 C ATOM 982 CG2 ILE A 151 2.539 4.581 2.325 1.00 0.00 C ATOM 983 CD1 ILE A 151 -0.489 4.164 1.602 1.00 0.00 C ATOM 0 H ILE A 151 0.965 1.014 3.586 1.00 0.00 H new ATOM 0 HA ILE A 151 3.096 1.915 1.828 1.00 0.00 H new ATOM 0 HB ILE A 151 1.210 3.397 3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 151 1.173 3.364 0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 151 0.297 2.176 1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 151 1.865 5.428 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 151 3.200 4.768 3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 151 3.134 4.452 1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -1.180 4.014 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.007 3.982 2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -0.118 5.189 1.584 1.00 0.00 H new ATOM 995 N LYS A 152 3.231 2.350 5.133 1.00 0.00 N ATOM 996 CA LYS A 152 4.076 2.623 6.295 1.00 0.00 C ATOM 997 C LYS A 152 4.944 1.521 6.893 1.00 0.00 C ATOM 998 O LYS A 152 5.648 1.898 7.829 1.00 0.00 O ATOM 999 CB LYS A 152 3.173 3.389 7.268 1.00 0.00 C ATOM 1000 CG LYS A 152 3.176 3.222 8.788 1.00 0.00 C ATOM 1001 CD LYS A 152 2.252 2.184 9.423 1.00 0.00 C ATOM 1002 CE LYS A 152 2.696 0.725 9.336 1.00 0.00 C ATOM 1003 NZ LYS A 152 1.720 -0.140 10.019 1.00 0.00 N ATOM 0 H LYS A 152 2.251 2.231 5.390 1.00 0.00 H new ATOM 0 HA LYS A 152 4.932 3.210 5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 152 3.364 4.446 7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 152 2.151 3.189 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 152 4.196 2.983 9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 152 2.932 4.190 9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 152 2.126 2.439 10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 152 1.271 2.270 8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 152 2.791 0.427 8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 152 3.679 0.608 9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 1.697 -1.071 9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 1.996 -0.256 11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 0.777 0.295 9.970 1.00 0.00 H new ATOM 1017 N LYS A 153 4.976 0.257 6.497 1.00 0.00 N ATOM 1018 CA LYS A 153 5.853 -0.762 7.084 1.00 0.00 C ATOM 1019 C LYS A 153 7.284 -0.368 7.441 1.00 0.00 C ATOM 1020 O LYS A 153 7.770 -0.784 8.492 1.00 0.00 O ATOM 1021 CB LYS A 153 5.833 -2.026 6.181 1.00 0.00 C ATOM 1022 CG LYS A 153 6.550 -3.245 6.811 1.00 0.00 C ATOM 1023 CD LYS A 153 6.609 -4.489 5.921 1.00 0.00 C ATOM 1024 CE LYS A 153 7.405 -5.588 6.639 1.00 0.00 C ATOM 1025 NZ LYS A 153 7.317 -6.840 5.867 1.00 0.00 N ATOM 0 H LYS A 153 4.386 -0.102 5.746 1.00 0.00 H new ATOM 0 HA LYS A 153 5.423 -0.945 8.069 1.00 0.00 H new ATOM 0 HB2 LYS A 153 4.798 -2.294 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 153 6.305 -1.789 5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 153 7.568 -2.954 7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 153 6.044 -3.505 7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 153 5.601 -4.840 5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 153 7.079 -4.247 4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 153 8.447 -5.287 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 153 7.012 -5.739 7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 7.856 -7.586 6.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 6.321 -7.129 5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 7.712 -6.690 4.917 1.00 0.00 H new ATOM 1039 N SER A 154 7.943 0.437 6.622 1.00 0.00 N ATOM 1040 CA SER A 154 9.278 0.979 6.894 1.00 0.00 C ATOM 1041 C SER A 154 9.359 2.090 7.941 1.00 0.00 C ATOM 1042 O SER A 154 10.463 2.504 8.291 1.00 0.00 O ATOM 1043 CB SER A 154 9.943 1.403 5.561 1.00 0.00 C ATOM 1044 OG SER A 154 11.049 0.568 5.200 1.00 0.00 O ATOM 0 H SER A 154 7.561 0.743 5.727 1.00 0.00 H new ATOM 0 HA SER A 154 9.831 0.164 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 154 9.199 1.376 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 154 10.285 2.435 5.643 1.00 0.00 H new ATOM 0 HG SER A 154 11.430 0.878 4.352 1.00 0.00 H new TER 1050 SER A 154 END