USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 528 hydrogens (0 hets) HEADER VIRAL PROTEIN 02-MAY-13 2M7Y TITLE THE MENGOVIRUS LEADER PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: LEADER PEPTIDE; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MENGO VIRUS; SOURCE 3 ORGANISM_TAXID: 12107; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_VECTOR: PET41B KEYWDS CARDIOVIRUS, VIRAL PROTEIN EXPDTA SOLUTION NMR AUTHOR C.C.CORNILESCU,F.W.PORTER,K.Q.ZHAO,V.DAVIS,A.C.PALMENBERG,J.L.MARKLEY REVDAT 1 23-OCT-13 2M7Y 0 JRNL AUTH C.C.CORNILESCU,F.W.PORTER,K.Q.ZHAO,V.DAVIS,A.C.PALMENBERG, JRNL AUTH 2 J.L.MARKLEY JRNL TITL FULL LENGTH MENGOVIRUS LEADER JRNL REF TO BE PUBLISHED JRNL REFN 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 2M7Y COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-MAY-13. REMARK 100 THE RCSB ID CODE IS RCSB103322. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 100 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.7-1 MM [U-13C; U-15N] PROTEIN, REMARK 210 93% H2O/7% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC; 2D 1H-13C HSQC; REMARK 210 3D HNCO; 3D HNCACB; 3D CBCA(CO) REMARK 210 NH; 3D C(CO)NH; 3D H(CCO)NH; 3D REMARK 210 HCCH-TOCSY; 3D 1H-15N NOESY; 3D REMARK 210 1H-13C NOESY; 2D-(HB)CB(CGCD)HD; REMARK 210 2D-(HB)CB(CGCDCE)HE REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 900 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR, NMRPIPE, PIPP, CYANA, X- REMARK 210 PLOR_NIH REMARK 210 METHOD USED : MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 THR A 3 -64.99 -95.31 REMARK 500 ALA A 6 -33.21 167.90 REMARK 500 THR A 7 -84.37 -39.40 REMARK 500 THR A 8 -69.42 -141.89 REMARK 500 HIS A 16 31.82 -87.69 REMARK 500 PRO A 24 -72.50 -75.07 REMARK 500 GLN A 30 60.28 87.15 REMARK 500 ASN A 33 47.64 177.52 REMARK 500 TYR A 36 47.56 35.38 REMARK 500 TYR A 40 -46.53 -134.45 REMARK 500 GLU A 42 163.14 168.18 REMARK 500 GLU A 43 25.67 -161.09 REMARK 500 TYR A 45 173.88 -46.37 REMARK 500 GLU A 47 -172.69 169.47 REMARK 500 GLU A 48 86.47 -7.33 REMARK 500 LEU A 49 -176.71 -64.10 REMARK 500 LEU A 50 74.65 -66.04 REMARK 500 ASP A 55 72.13 80.11 REMARK 500 ASP A 56 85.83 175.39 REMARK 500 VAL A 57 53.12 -109.49 REMARK 500 PHE A 58 109.58 -45.20 REMARK 500 LEU A 62 57.49 39.06 REMARK 500 ASP A 63 84.24 171.58 REMARK 500 MET A 64 -154.73 -145.11 REMARK 500 GLU A 65 36.62 -89.78 REMARK 500 VAL A 66 -30.03 166.25 REMARK 500 VAL A 67 48.00 -85.82 REMARK 500 GLU A 69 -32.54 171.11 REMARK 500 THR A 70 -94.88 -71.48 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 101 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 16 NE2 REMARK 620 2 CYS A 14 SG 83.1 REMARK 620 3 CYS A 23 SG 98.8 109.0 REMARK 620 4 CYS A 26 SG 159.2 92.0 101.9 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 101 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 19084 RELATED DB: BMRB DBREF 2M7Y A 5 71 UNP P12296 POLG_ENMGO 1 67 SEQADV 2M7Y GLY A 1 UNP P12296 EXPRESSION TAG SEQADV 2M7Y SER A 2 UNP P12296 EXPRESSION TAG SEQADV 2M7Y THR A 3 UNP P12296 EXPRESSION TAG SEQADV 2M7Y ALA A 4 UNP P12296 EXPRESSION TAG SEQRES 1 A 71 GLY SER THR ALA MET ALA THR THR MET GLU GLN GLU ILE SEQRES 2 A 71 CYS ALA HIS SER MET THR PHE GLU GLU CYS PRO LYS CYS SEQRES 3 A 71 SER ALA LEU GLN TYR ARG ASN GLY PHE TYR LEU LEU LYS SEQRES 4 A 71 TYR ASP GLU GLU TRP TYR PRO GLU GLU LEU LEU THR ASP SEQRES 5 A 71 GLY GLU ASP ASP VAL PHE ASP PRO ASP LEU ASP MET GLU SEQRES 6 A 71 VAL VAL PHE GLU THR GLN HET ZN A 101 1 HETNAM ZN ZINC ION FORMUL 2 ZN ZN 2+ HELIX 1 1 THR A 19 GLU A 22 5 4 HELIX 2 2 CYS A 23 LEU A 29 1 7 LINK NE2 HIS A 16 ZN ZN A 101 1555 1555 2.06 LINK SG CYS A 14 ZN ZN A 101 1555 1555 2.30 LINK SG CYS A 23 ZN ZN A 101 1555 1555 2.31 LINK SG CYS A 26 ZN ZN A 101 1555 1555 2.35 SITE *** AC1 5 CYS A 14 HIS A 16 PHE A 20 CYS A 23 SITE *** AC1 5 CYS A 26 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 NoAdj-H: A 16 HIS HE2 : A 16 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 8 THR OG1 : rot 180:sc= -0.265 USER MOD Set 1.2: A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 83:sc= -5.97! USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= -0.0254 (180deg=-0.367) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.178 F(o=-0.69,f=-0.18) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -1.05 F(o=-3.6!,f=-1.1) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= -0.237 (180deg=-1.06) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.325 0.000 0.000 1.00 11.00 N ATOM 2 CA GLY A 1 2.073 0.000 -1.245 1.00 43.05 C ATOM 3 C GLY A 1 1.184 0.416 -2.419 1.00 44.22 C ATOM 4 O GLY A 1 0.384 -0.379 -2.909 1.00 64.33 O ATOM 0 H1 GLY A 1 1.950 -0.285 0.781 1.00 11.00 H new ATOM 0 H2 GLY A 1 0.956 0.955 0.183 1.00 11.00 H new ATOM 0 H3 GLY A 1 0.532 -0.669 -0.071 1.00 11.00 H new ATOM 0 HA2 GLY A 1 2.919 0.683 -1.165 1.00 43.05 H new ATOM 0 HA3 GLY A 1 2.482 -0.994 -1.428 1.00 43.05 H new ATOM 8 N SER A 2 1.355 1.662 -2.836 1.00 53.32 N ATOM 9 CA SER A 2 0.578 2.194 -3.943 1.00 71.31 C ATOM 10 C SER A 2 -0.917 2.055 -3.647 1.00 41.45 C ATOM 11 O SER A 2 -1.618 1.299 -4.317 1.00 73.23 O ATOM 12 CB SER A 2 0.928 1.484 -5.252 1.00 71.15 C ATOM 13 OG SER A 2 2.285 1.049 -5.278 1.00 53.30 O ATOM 0 H SER A 2 2.020 2.319 -2.427 1.00 53.32 H new ATOM 0 HA SER A 2 0.823 3.250 -4.057 1.00 71.31 H new ATOM 0 HB2 SER A 2 0.270 0.626 -5.386 1.00 71.15 H new ATOM 0 HB3 SER A 2 0.747 2.158 -6.089 1.00 71.15 H new ATOM 0 HG SER A 2 2.468 0.599 -6.129 1.00 53.30 H new ATOM 19 N THR A 3 -1.360 2.798 -2.644 1.00 33.02 N ATOM 20 CA THR A 3 -2.759 2.768 -2.251 1.00 61.43 C ATOM 21 C THR A 3 -3.526 3.909 -2.922 1.00 60.22 C ATOM 22 O THR A 3 -4.413 3.669 -3.740 1.00 30.11 O ATOM 23 CB THR A 3 -2.822 2.809 -0.723 1.00 72.22 C ATOM 24 OG1 THR A 3 -3.107 1.463 -0.351 1.00 64.01 O ATOM 25 CG2 THR A 3 -4.026 3.600 -0.208 1.00 51.21 C ATOM 0 H THR A 3 -0.775 3.425 -2.091 1.00 33.02 H new ATOM 0 HA THR A 3 -3.244 1.851 -2.586 1.00 61.43 H new ATOM 0 HB THR A 3 -1.904 3.250 -0.334 1.00 72.22 H new ATOM 0 HG1 THR A 3 -3.164 1.398 0.625 1.00 64.01 H new ATOM 0 HG21 THR A 3 -4.023 3.598 0.882 1.00 51.21 H new ATOM 0 HG22 THR A 3 -3.968 4.627 -0.569 1.00 51.21 H new ATOM 0 HG23 THR A 3 -4.945 3.140 -0.569 1.00 51.21 H new ATOM 33 N ALA A 4 -3.156 5.126 -2.551 1.00 72.15 N ATOM 34 CA ALA A 4 -3.798 6.305 -3.107 1.00 74.11 C ATOM 35 C ALA A 4 -2.727 7.312 -3.531 1.00 32.21 C ATOM 36 O ALA A 4 -2.879 8.513 -3.314 1.00 3.04 O ATOM 37 CB ALA A 4 -4.773 6.887 -2.081 1.00 44.21 C ATOM 0 H ALA A 4 -2.420 5.321 -1.872 1.00 72.15 H new ATOM 0 HA ALA A 4 -4.375 6.045 -3.994 1.00 74.11 H new ATOM 0 HB1 ALA A 4 -5.255 7.771 -2.498 1.00 44.21 H new ATOM 0 HB2 ALA A 4 -5.531 6.143 -1.836 1.00 44.21 H new ATOM 0 HB3 ALA A 4 -4.229 7.162 -1.177 1.00 44.21 H new ATOM 43 N MET A 5 -1.668 6.785 -4.128 1.00 73.11 N ATOM 44 CA MET A 5 -0.572 7.623 -4.584 1.00 73.32 C ATOM 45 C MET A 5 -0.586 7.762 -6.108 1.00 11.12 C ATOM 46 O MET A 5 -1.186 6.945 -6.804 1.00 62.42 O ATOM 47 CB MET A 5 0.758 7.011 -4.139 1.00 74.34 C ATOM 48 CG MET A 5 0.703 6.590 -2.669 1.00 70.24 C ATOM 49 SD MET A 5 2.251 5.842 -2.191 1.00 24.04 S ATOM 50 CE MET A 5 2.703 6.907 -0.831 1.00 34.11 C ATOM 0 H MET A 5 -1.546 5.788 -4.306 1.00 73.11 H new ATOM 0 HA MET A 5 -0.690 8.614 -4.146 1.00 73.32 H new ATOM 0 HB2 MET A 5 0.990 6.146 -4.760 1.00 74.34 H new ATOM 0 HB3 MET A 5 1.561 7.733 -4.284 1.00 74.34 H new ATOM 0 HG2 MET A 5 0.499 7.457 -2.041 1.00 70.24 H new ATOM 0 HG3 MET A 5 -0.114 5.885 -2.514 1.00 70.24 H new ATOM 0 HE1 MET A 5 3.654 6.579 -0.412 1.00 34.11 H new ATOM 0 HE2 MET A 5 2.798 7.932 -1.188 1.00 34.11 H new ATOM 0 HE3 MET A 5 1.933 6.861 -0.061 1.00 34.11 H new ATOM 60 N ALA A 6 0.082 8.804 -6.581 1.00 20.03 N ATOM 61 CA ALA A 6 0.154 9.061 -8.009 1.00 1.10 C ATOM 62 C ALA A 6 0.717 10.465 -8.242 1.00 74.44 C ATOM 63 O ALA A 6 1.416 10.701 -9.226 1.00 43.20 O ATOM 64 CB ALA A 6 -1.231 8.877 -8.632 1.00 13.24 C ATOM 0 H ALA A 6 0.578 9.480 -6.000 1.00 20.03 H new ATOM 0 HA ALA A 6 0.825 8.352 -8.493 1.00 1.10 H new ATOM 0 HB1 ALA A 6 -1.177 9.070 -9.703 1.00 13.24 H new ATOM 0 HB2 ALA A 6 -1.573 7.856 -8.464 1.00 13.24 H new ATOM 0 HB3 ALA A 6 -1.932 9.574 -8.173 1.00 13.24 H new ATOM 70 N THR A 7 0.390 11.359 -7.321 1.00 52.23 N ATOM 71 CA THR A 7 0.854 12.733 -7.414 1.00 54.05 C ATOM 72 C THR A 7 2.300 12.775 -7.913 1.00 14.04 C ATOM 73 O THR A 7 2.544 12.946 -9.106 1.00 22.41 O ATOM 74 CB THR A 7 0.663 13.390 -6.046 1.00 50.21 C ATOM 75 OG1 THR A 7 1.719 14.344 -5.969 1.00 55.41 O ATOM 76 CG2 THR A 7 0.945 12.428 -4.890 1.00 41.41 C ATOM 0 H THR A 7 -0.191 11.159 -6.507 1.00 52.23 H new ATOM 0 HA THR A 7 0.275 13.298 -8.145 1.00 54.05 H new ATOM 0 HB THR A 7 -0.356 13.767 -5.964 1.00 50.21 H new ATOM 0 HG1 THR A 7 1.453 15.164 -6.435 1.00 55.41 H new ATOM 0 HG21 THR A 7 0.795 12.944 -3.942 1.00 41.41 H new ATOM 0 HG22 THR A 7 0.267 11.577 -4.951 1.00 41.41 H new ATOM 0 HG23 THR A 7 1.975 12.076 -4.952 1.00 41.41 H new ATOM 84 N THR A 8 3.220 12.617 -6.973 1.00 63.40 N ATOM 85 CA THR A 8 4.636 12.634 -7.302 1.00 15.35 C ATOM 86 C THR A 8 5.390 11.600 -6.464 1.00 64.02 C ATOM 87 O THR A 8 5.862 10.594 -6.992 1.00 5.04 O ATOM 88 CB THR A 8 5.148 14.063 -7.109 1.00 32.03 C ATOM 89 OG1 THR A 8 6.445 13.893 -6.544 1.00 1.51 O ATOM 90 CG2 THR A 8 4.370 14.824 -6.033 1.00 72.03 C ATOM 0 H THR A 8 3.013 12.477 -5.984 1.00 63.40 H new ATOM 0 HA THR A 8 4.805 12.350 -8.341 1.00 15.35 H new ATOM 0 HB THR A 8 5.083 14.603 -8.054 1.00 32.03 H new ATOM 0 HG1 THR A 8 6.851 14.771 -6.387 1.00 1.51 H new ATOM 0 HG21 THR A 8 4.774 15.832 -5.936 1.00 72.03 H new ATOM 0 HG22 THR A 8 3.319 14.880 -6.315 1.00 72.03 H new ATOM 0 HG23 THR A 8 4.463 14.303 -5.080 1.00 72.03 H new ATOM 98 N MET A 9 5.481 11.883 -5.173 1.00 13.01 N ATOM 99 CA MET A 9 6.170 10.990 -4.257 1.00 60.25 C ATOM 100 C MET A 9 5.398 9.681 -4.083 1.00 33.41 C ATOM 101 O MET A 9 4.175 9.690 -3.947 1.00 42.31 O ATOM 102 CB MET A 9 6.329 11.674 -2.898 1.00 55.43 C ATOM 103 CG MET A 9 7.193 12.932 -3.015 1.00 74.42 C ATOM 104 SD MET A 9 6.184 14.388 -2.798 1.00 52.12 S ATOM 105 CE MET A 9 7.321 15.641 -3.367 1.00 24.42 C ATOM 0 H MET A 9 5.089 12.719 -4.739 1.00 13.01 H new ATOM 0 HA MET A 9 7.150 10.759 -4.674 1.00 60.25 H new ATOM 0 HB2 MET A 9 5.348 11.938 -2.503 1.00 55.43 H new ATOM 0 HB3 MET A 9 6.783 10.981 -2.189 1.00 55.43 H new ATOM 0 HG2 MET A 9 7.983 12.912 -2.264 1.00 74.42 H new ATOM 0 HG3 MET A 9 7.680 12.959 -3.990 1.00 74.42 H new ATOM 0 HE1 MET A 9 6.847 16.620 -3.298 1.00 24.42 H new ATOM 0 HE2 MET A 9 8.218 15.627 -2.747 1.00 24.42 H new ATOM 0 HE3 MET A 9 7.593 15.442 -4.403 1.00 24.42 H new ATOM 115 N GLU A 10 6.143 8.585 -4.092 1.00 40.32 N ATOM 116 CA GLU A 10 5.544 7.271 -3.937 1.00 34.14 C ATOM 117 C GLU A 10 6.303 6.463 -2.882 1.00 72.34 C ATOM 118 O GLU A 10 6.223 5.235 -2.860 1.00 12.45 O ATOM 119 CB GLU A 10 5.501 6.526 -5.272 1.00 52.24 C ATOM 120 CG GLU A 10 4.058 6.247 -5.698 1.00 61.24 C ATOM 121 CD GLU A 10 3.950 4.901 -6.419 1.00 11.13 C ATOM 122 OE1 GLU A 10 3.202 4.782 -7.400 1.00 75.31 O ATOM 123 OE2 GLU A 10 4.679 3.958 -5.925 1.00 41.41 O ATOM 0 H GLU A 10 7.157 8.581 -4.204 1.00 40.32 H new ATOM 0 HA GLU A 10 4.516 7.400 -3.598 1.00 34.14 H new ATOM 0 HB2 GLU A 10 6.002 7.117 -6.039 1.00 52.24 H new ATOM 0 HB3 GLU A 10 6.047 5.586 -5.186 1.00 52.24 H new ATOM 0 HG2 GLU A 10 3.410 6.247 -4.822 1.00 61.24 H new ATOM 0 HG3 GLU A 10 3.708 7.044 -6.354 1.00 61.24 H new ATOM 131 N GLN A 11 7.022 7.184 -2.035 1.00 64.31 N ATOM 132 CA GLN A 11 7.795 6.549 -0.981 1.00 63.01 C ATOM 133 C GLN A 11 7.455 7.171 0.375 1.00 73.32 C ATOM 134 O GLN A 11 8.108 6.881 1.376 1.00 0.50 O ATOM 135 CB GLN A 11 9.295 6.645 -1.267 1.00 42.22 C ATOM 136 CG GLN A 11 9.820 5.348 -1.886 1.00 32.23 C ATOM 137 CD GLN A 11 11.265 5.083 -1.460 1.00 64.12 C ATOM 138 OE1 GLN A 11 11.553 4.212 -0.656 1.00 63.41 O ATOM 139 NE2 GLN A 11 12.156 5.881 -2.043 1.00 33.12 N ATOM 0 H GLN A 11 7.086 8.202 -2.057 1.00 64.31 H new ATOM 0 HA GLN A 11 7.531 5.492 -0.951 1.00 63.01 H new ATOM 0 HB2 GLN A 11 9.487 7.478 -1.943 1.00 42.22 H new ATOM 0 HB3 GLN A 11 9.832 6.854 -0.342 1.00 42.22 H new ATOM 0 HG2 GLN A 11 9.188 4.514 -1.581 1.00 32.23 H new ATOM 0 HG3 GLN A 11 9.763 5.410 -2.973 1.00 32.23 H new ATOM 0 HE21 GLN A 11 11.847 6.590 -2.708 1.00 33.12 H new ATOM 0 HE22 GLN A 11 13.148 5.783 -1.825 1.00 33.12 H new ATOM 148 N GLU A 12 6.432 8.013 0.363 1.00 3.44 N ATOM 149 CA GLU A 12 5.997 8.678 1.580 1.00 41.52 C ATOM 150 C GLU A 12 5.691 7.647 2.668 1.00 51.40 C ATOM 151 O GLU A 12 5.619 7.988 3.848 1.00 75.32 O ATOM 152 CB GLU A 12 4.783 9.571 1.313 1.00 63.33 C ATOM 153 CG GLU A 12 5.098 10.620 0.244 1.00 23.43 C ATOM 154 CD GLU A 12 5.243 12.010 0.867 1.00 73.13 C ATOM 155 OE1 GLU A 12 6.155 12.235 1.675 1.00 3.43 O ATOM 156 OE2 GLU A 12 4.365 12.873 0.482 1.00 40.42 O ATOM 0 H GLU A 12 5.892 8.250 -0.469 1.00 3.44 H new ATOM 0 HA GLU A 12 6.807 9.318 1.931 1.00 41.52 H new ATOM 0 HB2 GLU A 12 3.941 8.959 0.990 1.00 63.33 H new ATOM 0 HB3 GLU A 12 4.481 10.066 2.236 1.00 63.33 H new ATOM 0 HG2 GLU A 12 6.019 10.352 -0.274 1.00 23.43 H new ATOM 0 HG3 GLU A 12 4.304 10.633 -0.503 1.00 23.43 H new ATOM 164 N ILE A 13 5.519 6.408 2.233 1.00 63.15 N ATOM 165 CA ILE A 13 5.223 5.325 3.155 1.00 55.11 C ATOM 166 C ILE A 13 5.935 4.054 2.689 1.00 42.04 C ATOM 167 O ILE A 13 5.644 3.534 1.613 1.00 73.32 O ATOM 168 CB ILE A 13 3.710 5.158 3.316 1.00 3.14 C ATOM 169 CG1 ILE A 13 3.006 6.516 3.322 1.00 41.54 C ATOM 170 CG2 ILE A 13 3.379 4.336 4.564 1.00 45.23 C ATOM 171 CD1 ILE A 13 3.257 7.259 4.635 1.00 2.34 C ATOM 0 H ILE A 13 5.579 6.130 1.254 1.00 63.15 H new ATOM 0 HA ILE A 13 5.604 5.557 4.150 1.00 55.11 H new ATOM 0 HB ILE A 13 3.334 4.604 2.456 1.00 3.14 H new ATOM 0 HG12 ILE A 13 3.362 7.118 2.486 1.00 41.54 H new ATOM 0 HG13 ILE A 13 1.935 6.375 3.179 1.00 41.54 H new ATOM 0 HG21 ILE A 13 2.298 4.232 4.655 1.00 45.23 H new ATOM 0 HG22 ILE A 13 3.833 3.348 4.480 1.00 45.23 H new ATOM 0 HG23 ILE A 13 3.771 4.841 5.447 1.00 45.23 H new ATOM 0 HD11 ILE A 13 2.745 8.221 4.612 1.00 2.34 H new ATOM 0 HD12 ILE A 13 2.878 6.666 5.467 1.00 2.34 H new ATOM 0 HD13 ILE A 13 4.327 7.420 4.763 1.00 2.34 H new ATOM 183 N CYS A 14 6.856 3.591 3.521 1.00 32.33 N ATOM 184 CA CYS A 14 7.612 2.390 3.208 1.00 43.51 C ATOM 185 C CYS A 14 6.629 1.227 3.064 1.00 24.25 C ATOM 186 O CYS A 14 5.464 1.344 3.439 1.00 53.50 O ATOM 187 CB CYS A 14 8.684 2.106 4.262 1.00 30.22 C ATOM 188 SG CYS A 14 10.350 2.286 3.526 1.00 53.00 S ATOM 0 H CYS A 14 7.096 4.026 4.412 1.00 32.33 H new ATOM 0 HA CYS A 14 8.148 2.529 2.269 1.00 43.51 H new ATOM 0 HB2 CYS A 14 8.572 2.793 5.101 1.00 30.22 H new ATOM 0 HB3 CYS A 14 8.559 1.098 4.657 1.00 30.22 H new ATOM 193 N ALA A 15 7.136 0.130 2.521 1.00 21.45 N ATOM 194 CA ALA A 15 6.317 -1.054 2.324 1.00 23.40 C ATOM 195 C ALA A 15 5.974 -1.665 3.684 1.00 1.45 C ATOM 196 O ALA A 15 5.236 -2.645 3.760 1.00 34.34 O ATOM 197 CB ALA A 15 7.054 -2.038 1.413 1.00 73.52 C ATOM 0 H ALA A 15 8.103 0.036 2.211 1.00 21.45 H new ATOM 0 HA ALA A 15 5.379 -0.794 1.834 1.00 23.40 H new ATOM 0 HB1 ALA A 15 6.440 -2.926 1.265 1.00 73.52 H new ATOM 0 HB2 ALA A 15 7.248 -1.566 0.450 1.00 73.52 H new ATOM 0 HB3 ALA A 15 7.999 -2.323 1.875 1.00 73.52 H new ATOM 203 N HIS A 16 6.526 -1.059 4.725 1.00 5.33 N ATOM 204 CA HIS A 16 6.288 -1.530 6.079 1.00 60.12 C ATOM 205 C HIS A 16 5.026 -0.870 6.637 1.00 1.45 C ATOM 206 O HIS A 16 4.928 -0.627 7.839 1.00 1.04 O ATOM 207 CB HIS A 16 7.518 -1.299 6.959 1.00 13.43 C ATOM 208 CG HIS A 16 8.726 -0.794 6.207 1.00 73.13 C ATOM 209 ND1 HIS A 16 9.057 -1.236 4.938 1.00 70.33 N ATOM 210 CD2 HIS A 16 9.676 0.119 6.557 1.00 44.24 C ATOM 211 CE1 HIS A 16 10.160 -0.611 4.552 1.00 74.43 C ATOM 212 NE2 HIS A 16 10.542 0.228 5.557 1.00 63.15 N ATOM 0 H HIS A 16 7.138 -0.246 4.658 1.00 5.33 H new ATOM 0 HA HIS A 16 6.119 -2.607 6.069 1.00 60.12 H new ATOM 0 HB2 HIS A 16 7.264 -0.583 7.740 1.00 13.43 H new ATOM 0 HB3 HIS A 16 7.777 -2.234 7.456 1.00 13.43 H new ATOM 0 HD1 HIS A 16 8.540 -1.926 4.393 1.00 70.33 H new ATOM 0 HD2 HIS A 16 9.717 0.662 7.490 1.00 44.24 H new ATOM 0 HE1 HIS A 16 10.667 -0.743 3.608 1.00 74.43 H new ATOM 220 N SER A 17 4.092 -0.597 5.738 1.00 32.43 N ATOM 221 CA SER A 17 2.840 0.030 6.126 1.00 1.32 C ATOM 222 C SER A 17 3.110 1.172 7.109 1.00 35.50 C ATOM 223 O SER A 17 2.516 1.222 8.185 1.00 32.11 O ATOM 224 CB SER A 17 1.882 -0.989 6.746 1.00 52.30 C ATOM 225 OG SER A 17 0.564 -0.873 6.217 1.00 51.24 O ATOM 0 H SER A 17 4.177 -0.799 4.742 1.00 32.43 H new ATOM 0 HA SER A 17 2.367 0.433 5.230 1.00 1.32 H new ATOM 0 HB2 SER A 17 2.258 -1.996 6.566 1.00 52.30 H new ATOM 0 HB3 SER A 17 1.853 -0.848 7.826 1.00 52.30 H new ATOM 0 HG SER A 17 -0.017 -1.541 6.637 1.00 51.24 H new ATOM 231 N MET A 18 4.005 2.060 6.704 1.00 63.31 N ATOM 232 CA MET A 18 4.361 3.197 7.535 1.00 14.14 C ATOM 233 C MET A 18 5.328 4.130 6.804 1.00 22.12 C ATOM 234 O MET A 18 5.889 3.764 5.772 1.00 33.43 O ATOM 235 CB MET A 18 5.009 2.701 8.829 1.00 21.13 C ATOM 236 CG MET A 18 4.160 3.073 10.046 1.00 14.41 C ATOM 237 SD MET A 18 5.186 3.816 11.303 1.00 25.44 S ATOM 238 CE MET A 18 4.375 3.201 12.769 1.00 15.14 C ATOM 0 H MET A 18 4.495 2.015 5.810 1.00 63.31 H new ATOM 0 HA MET A 18 3.452 3.754 7.764 1.00 14.14 H new ATOM 0 HB2 MET A 18 5.134 1.619 8.786 1.00 21.13 H new ATOM 0 HB3 MET A 18 6.005 3.133 8.930 1.00 21.13 H new ATOM 0 HG2 MET A 18 3.372 3.766 9.752 1.00 14.41 H new ATOM 0 HG3 MET A 18 3.670 2.184 10.443 1.00 14.41 H new ATOM 0 HE1 MET A 18 4.892 3.573 13.654 1.00 15.14 H new ATOM 0 HE2 MET A 18 3.340 3.543 12.783 1.00 15.14 H new ATOM 0 HE3 MET A 18 4.397 2.111 12.767 1.00 15.14 H new ATOM 248 N THR A 19 5.495 5.317 7.368 1.00 55.44 N ATOM 249 CA THR A 19 6.385 6.305 6.782 1.00 14.52 C ATOM 250 C THR A 19 7.768 5.699 6.538 1.00 32.00 C ATOM 251 O THR A 19 8.272 4.940 7.365 1.00 54.22 O ATOM 252 CB THR A 19 6.410 7.525 7.706 1.00 62.12 C ATOM 253 OG1 THR A 19 5.410 8.387 7.171 1.00 75.13 O ATOM 254 CG2 THR A 19 7.704 8.331 7.576 1.00 64.20 C ATOM 0 H THR A 19 5.029 5.617 8.224 1.00 55.44 H new ATOM 0 HA THR A 19 6.029 6.627 5.803 1.00 14.52 H new ATOM 0 HB THR A 19 6.286 7.200 8.739 1.00 62.12 H new ATOM 0 HG1 THR A 19 5.358 9.203 7.711 1.00 75.13 H new ATOM 0 HG21 THR A 19 7.670 9.185 8.252 1.00 64.20 H new ATOM 0 HG22 THR A 19 8.554 7.698 7.832 1.00 64.20 H new ATOM 0 HG23 THR A 19 7.811 8.685 6.550 1.00 64.20 H new ATOM 262 N PHE A 20 8.343 6.056 5.399 1.00 12.41 N ATOM 263 CA PHE A 20 9.658 5.557 5.036 1.00 71.13 C ATOM 264 C PHE A 20 10.736 6.132 5.956 1.00 45.22 C ATOM 265 O PHE A 20 11.637 5.414 6.388 1.00 50.05 O ATOM 266 CB PHE A 20 9.930 6.015 3.602 1.00 40.43 C ATOM 267 CG PHE A 20 10.179 7.519 3.466 1.00 61.12 C ATOM 268 CD1 PHE A 20 9.130 8.372 3.320 1.00 32.31 C ATOM 269 CD2 PHE A 20 11.450 8.003 3.491 1.00 60.41 C ATOM 270 CE1 PHE A 20 9.361 9.767 3.194 1.00 11.01 C ATOM 271 CE2 PHE A 20 11.681 9.398 3.365 1.00 62.01 C ATOM 272 CZ PHE A 20 10.632 10.251 3.219 1.00 32.32 C ATOM 0 H PHE A 20 7.922 6.685 4.715 1.00 12.41 H new ATOM 0 HA PHE A 20 9.682 4.471 5.128 1.00 71.13 H new ATOM 0 HB2 PHE A 20 10.797 5.477 3.218 1.00 40.43 H new ATOM 0 HB3 PHE A 20 9.081 5.740 2.976 1.00 40.43 H new ATOM 0 HD1 PHE A 20 8.121 7.988 3.300 1.00 32.31 H new ATOM 0 HD2 PHE A 20 12.283 7.326 3.607 1.00 60.41 H new ATOM 0 HE1 PHE A 20 8.528 10.444 3.078 1.00 11.01 H new ATOM 0 HE2 PHE A 20 12.690 9.782 3.385 1.00 62.01 H new ATOM 0 HZ PHE A 20 10.808 11.312 3.123 1.00 32.32 H new ATOM 282 N GLU A 21 10.610 7.422 6.229 1.00 55.51 N ATOM 283 CA GLU A 21 11.562 8.102 7.090 1.00 42.41 C ATOM 284 C GLU A 21 11.271 7.785 8.558 1.00 4.01 C ATOM 285 O GLU A 21 11.845 8.401 9.455 1.00 34.14 O ATOM 286 CB GLU A 21 11.545 9.612 6.842 1.00 43.04 C ATOM 287 CG GLU A 21 12.511 10.333 7.784 1.00 44.45 C ATOM 288 CD GLU A 21 13.792 9.520 7.984 1.00 50.35 C ATOM 289 OE1 GLU A 21 14.420 9.101 7.000 1.00 3.50 O ATOM 290 OE2 GLU A 21 14.130 9.329 9.214 1.00 74.23 O ATOM 0 H GLU A 21 9.862 8.015 5.869 1.00 55.51 H new ATOM 0 HA GLU A 21 12.562 7.739 6.851 1.00 42.41 H new ATOM 0 HB2 GLU A 21 11.819 9.817 5.807 1.00 43.04 H new ATOM 0 HB3 GLU A 21 10.535 9.997 6.987 1.00 43.04 H new ATOM 0 HG2 GLU A 21 12.758 11.313 7.376 1.00 44.45 H new ATOM 0 HG3 GLU A 21 12.028 10.501 8.747 1.00 44.45 H new ATOM 298 N GLU A 22 10.381 6.824 8.758 1.00 41.24 N ATOM 299 CA GLU A 22 10.007 6.418 10.102 1.00 63.45 C ATOM 300 C GLU A 22 10.484 4.990 10.376 1.00 20.10 C ATOM 301 O GLU A 22 10.159 4.412 11.412 1.00 64.40 O ATOM 302 CB GLU A 22 8.497 6.541 10.312 1.00 51.33 C ATOM 303 CG GLU A 22 8.174 7.627 11.340 1.00 35.11 C ATOM 304 CD GLU A 22 8.960 8.908 11.051 1.00 35.52 C ATOM 305 OE1 GLU A 22 9.147 9.737 11.954 1.00 64.41 O ATOM 306 OE2 GLU A 22 9.383 9.026 9.838 1.00 33.43 O ATOM 0 H GLU A 22 9.908 6.315 8.012 1.00 41.24 H new ATOM 0 HA GLU A 22 10.495 7.086 10.812 1.00 63.45 H new ATOM 0 HB2 GLU A 22 8.012 6.776 9.364 1.00 51.33 H new ATOM 0 HB3 GLU A 22 8.094 5.586 10.648 1.00 51.33 H new ATOM 0 HG2 GLU A 22 7.105 7.841 11.325 1.00 35.11 H new ATOM 0 HG3 GLU A 22 8.413 7.268 12.341 1.00 35.11 H new ATOM 314 N CYS A 23 11.247 4.463 9.430 1.00 73.54 N ATOM 315 CA CYS A 23 11.771 3.113 9.556 1.00 3.54 C ATOM 316 C CYS A 23 13.234 3.206 9.997 1.00 53.15 C ATOM 317 O CYS A 23 13.829 4.282 9.961 1.00 23.35 O ATOM 318 CB CYS A 23 11.616 2.321 8.257 1.00 55.43 C ATOM 319 SG CYS A 23 10.359 3.114 7.187 1.00 25.15 S ATOM 0 H CYS A 23 11.515 4.946 8.573 1.00 73.54 H new ATOM 0 HA CYS A 23 11.199 2.567 10.306 1.00 3.54 H new ATOM 0 HB2 CYS A 23 12.572 2.272 7.735 1.00 55.43 H new ATOM 0 HB3 CYS A 23 11.322 1.295 8.480 1.00 55.43 H new ATOM 325 N PRO A 24 13.784 2.034 10.411 1.00 24.15 N ATOM 326 CA PRO A 24 15.166 1.973 10.858 1.00 73.41 C ATOM 327 C PRO A 24 16.129 2.045 9.671 1.00 1.15 C ATOM 328 O PRO A 24 16.789 3.062 9.465 1.00 43.23 O ATOM 329 CB PRO A 24 15.272 0.668 11.630 1.00 20.23 C ATOM 330 CG PRO A 24 14.081 -0.172 11.196 1.00 4.33 C ATOM 331 CD PRO A 24 13.109 0.741 10.466 1.00 21.45 C ATOM 0 HA PRO A 24 15.442 2.818 11.489 1.00 73.41 H new ATOM 0 HB2 PRO A 24 16.210 0.159 11.409 1.00 20.23 H new ATOM 0 HB3 PRO A 24 15.252 0.848 12.705 1.00 20.23 H new ATOM 0 HG2 PRO A 24 14.404 -0.985 10.545 1.00 4.33 H new ATOM 0 HG3 PRO A 24 13.600 -0.628 12.061 1.00 4.33 H new ATOM 0 HD2 PRO A 24 12.889 0.367 9.466 1.00 21.45 H new ATOM 0 HD3 PRO A 24 12.159 0.813 10.996 1.00 21.45 H new ATOM 339 N LYS A 25 16.179 0.953 8.923 1.00 21.12 N ATOM 340 CA LYS A 25 17.051 0.880 7.763 1.00 74.11 C ATOM 341 C LYS A 25 16.885 2.150 6.925 1.00 21.53 C ATOM 342 O LYS A 25 17.799 2.545 6.203 1.00 21.23 O ATOM 343 CB LYS A 25 16.795 -0.410 6.981 1.00 21.21 C ATOM 344 CG LYS A 25 18.085 -1.217 6.819 1.00 74.55 C ATOM 345 CD LYS A 25 17.778 -2.679 6.488 1.00 63.54 C ATOM 346 CE LYS A 25 17.184 -2.811 5.084 1.00 51.11 C ATOM 347 NZ LYS A 25 18.184 -2.433 4.060 1.00 13.22 N ATOM 0 H LYS A 25 15.630 0.111 9.097 1.00 21.12 H new ATOM 0 HA LYS A 25 18.095 0.836 8.073 1.00 74.11 H new ATOM 0 HB2 LYS A 25 16.048 -1.011 7.499 1.00 21.21 H new ATOM 0 HB3 LYS A 25 16.386 -0.170 6.000 1.00 21.21 H new ATOM 0 HG2 LYS A 25 18.694 -0.781 6.027 1.00 74.55 H new ATOM 0 HG3 LYS A 25 18.670 -1.163 7.737 1.00 74.55 H new ATOM 0 HD2 LYS A 25 18.691 -3.271 6.557 1.00 63.54 H new ATOM 0 HD3 LYS A 25 17.080 -3.083 7.221 1.00 63.54 H new ATOM 0 HE2 LYS A 25 16.854 -3.836 4.917 1.00 51.11 H new ATOM 0 HE3 LYS A 25 16.304 -2.174 4.994 1.00 51.11 H new ATOM 0 HZ1 LYS A 25 17.891 -2.807 3.135 1.00 13.22 H new ATOM 0 HZ2 LYS A 25 18.254 -1.397 4.009 1.00 13.22 H new ATOM 0 HZ3 LYS A 25 19.110 -2.830 4.316 1.00 13.22 H new ATOM 360 N CYS A 26 15.712 2.753 7.050 1.00 43.43 N ATOM 361 CA CYS A 26 15.415 3.970 6.313 1.00 2.11 C ATOM 362 C CYS A 26 16.282 5.097 6.878 1.00 14.43 C ATOM 363 O CYS A 26 16.866 5.874 6.124 1.00 14.11 O ATOM 364 CB CYS A 26 13.925 4.314 6.366 1.00 23.01 C ATOM 365 SG CYS A 26 13.083 3.678 4.871 1.00 34.35 S ATOM 0 H CYS A 26 14.956 2.422 7.650 1.00 43.43 H new ATOM 0 HA CYS A 26 15.650 3.826 5.258 1.00 2.11 H new ATOM 0 HB2 CYS A 26 13.475 3.881 7.259 1.00 23.01 H new ATOM 0 HB3 CYS A 26 13.795 5.394 6.435 1.00 23.01 H new ATOM 371 N SER A 27 16.337 5.151 8.201 1.00 45.30 N ATOM 372 CA SER A 27 17.123 6.171 8.876 1.00 73.31 C ATOM 373 C SER A 27 18.596 5.761 8.907 1.00 23.44 C ATOM 374 O SER A 27 19.472 6.595 9.131 1.00 31.04 O ATOM 375 CB SER A 27 16.608 6.411 10.297 1.00 42.44 C ATOM 376 OG SER A 27 17.456 5.822 11.278 1.00 2.05 O ATOM 0 H SER A 27 15.851 4.506 8.823 1.00 45.30 H new ATOM 0 HA SER A 27 17.024 7.103 8.320 1.00 73.31 H new ATOM 0 HB2 SER A 27 16.533 7.483 10.479 1.00 42.44 H new ATOM 0 HB3 SER A 27 15.603 6.000 10.393 1.00 42.44 H new ATOM 0 HG SER A 27 17.094 5.998 12.172 1.00 2.05 H new ATOM 382 N ALA A 28 18.825 4.476 8.680 1.00 70.53 N ATOM 383 CA ALA A 28 20.178 3.945 8.679 1.00 35.33 C ATOM 384 C ALA A 28 20.915 4.441 7.434 1.00 2.22 C ATOM 385 O ALA A 28 22.142 4.527 7.428 1.00 2.44 O ATOM 386 CB ALA A 28 20.127 2.417 8.757 1.00 52.53 C ATOM 0 H ALA A 28 18.096 3.787 8.495 1.00 70.53 H new ATOM 0 HA ALA A 28 20.729 4.298 9.551 1.00 35.33 H new ATOM 0 HB1 ALA A 28 21.142 2.019 8.756 1.00 52.53 H new ATOM 0 HB2 ALA A 28 19.620 2.116 9.674 1.00 52.53 H new ATOM 0 HB3 ALA A 28 19.583 2.027 7.897 1.00 52.53 H new ATOM 392 N LEU A 29 20.136 4.755 6.409 1.00 30.35 N ATOM 393 CA LEU A 29 20.700 5.240 5.162 1.00 50.25 C ATOM 394 C LEU A 29 21.517 6.505 5.434 1.00 32.10 C ATOM 395 O LEU A 29 22.337 6.907 4.611 1.00 45.51 O ATOM 396 CB LEU A 29 19.600 5.432 4.115 1.00 2.03 C ATOM 397 CG LEU A 29 19.640 4.481 2.918 1.00 65.43 C ATOM 398 CD1 LEU A 29 21.014 4.504 2.245 1.00 64.30 C ATOM 399 CD2 LEU A 29 19.227 3.066 3.327 1.00 33.34 C ATOM 0 H LEU A 29 19.119 4.683 6.417 1.00 30.35 H new ATOM 0 HA LEU A 29 21.384 4.503 4.741 1.00 50.25 H new ATOM 0 HB2 LEU A 29 18.634 5.323 4.608 1.00 2.03 H new ATOM 0 HB3 LEU A 29 19.655 6.455 3.743 1.00 2.03 H new ATOM 0 HG LEU A 29 18.915 4.828 2.182 1.00 65.43 H new ATOM 0 HD11 LEU A 29 21.015 3.819 1.397 1.00 64.30 H new ATOM 0 HD12 LEU A 29 21.232 5.514 1.896 1.00 64.30 H new ATOM 0 HD13 LEU A 29 21.775 4.196 2.962 1.00 64.30 H new ATOM 0 HD21 LEU A 29 19.264 2.410 2.457 1.00 33.34 H new ATOM 0 HD22 LEU A 29 19.910 2.694 4.091 1.00 33.34 H new ATOM 0 HD23 LEU A 29 18.212 3.084 3.725 1.00 33.34 H new ATOM 411 N GLN A 30 21.264 7.096 6.592 1.00 14.43 N ATOM 412 CA GLN A 30 21.965 8.307 6.983 1.00 2.15 C ATOM 413 C GLN A 30 21.241 9.540 6.439 1.00 33.12 C ATOM 414 O GLN A 30 21.811 10.310 5.668 1.00 25.32 O ATOM 415 CB GLN A 30 23.421 8.274 6.512 1.00 35.14 C ATOM 416 CG GLN A 30 24.307 9.138 7.411 1.00 45.21 C ATOM 417 CD GLN A 30 24.999 8.289 8.479 1.00 33.34 C ATOM 418 OE1 GLN A 30 26.307 8.142 8.291 1.00 12.31 O flip ATOM 419 NE2 GLN A 30 24.385 7.799 9.413 1.00 60.22 N flip ATOM 0 H GLN A 30 20.583 6.759 7.272 1.00 14.43 H new ATOM 0 HA GLN A 30 21.970 8.364 8.071 1.00 2.15 H new ATOM 0 HB2 GLN A 30 23.785 7.247 6.516 1.00 35.14 H new ATOM 0 HB3 GLN A 30 23.483 8.630 5.484 1.00 35.14 H new ATOM 0 HG2 GLN A 30 25.056 9.649 6.806 1.00 45.21 H new ATOM 0 HG3 GLN A 30 23.703 9.909 7.889 1.00 45.21 H new ATOM 0 HE21 GLN A 30 23.380 7.951 9.498 1.00 60.22 H new ATOM 0 HE22 GLN A 30 24.877 7.238 10.108 1.00 60.22 H new ATOM 428 N TYR A 31 19.994 9.689 6.862 1.00 31.30 N ATOM 429 CA TYR A 31 19.185 10.815 6.427 1.00 64.24 C ATOM 430 C TYR A 31 19.079 11.872 7.528 1.00 60.41 C ATOM 431 O TYR A 31 18.485 12.929 7.323 1.00 44.31 O ATOM 432 CB TYR A 31 17.792 10.249 6.143 1.00 44.11 C ATOM 433 CG TYR A 31 16.853 11.231 5.440 1.00 2.41 C ATOM 434 CD1 TYR A 31 17.224 11.802 4.240 1.00 45.41 C ATOM 435 CD2 TYR A 31 15.635 11.546 6.007 1.00 53.44 C ATOM 436 CE1 TYR A 31 16.340 12.727 3.578 1.00 25.15 C ATOM 437 CE2 TYR A 31 14.751 12.471 5.345 1.00 33.11 C ATOM 438 CZ TYR A 31 15.147 13.016 4.164 1.00 63.42 C ATOM 439 OH TYR A 31 14.312 13.889 3.539 1.00 24.21 O ATOM 0 H TYR A 31 19.524 9.048 7.502 1.00 31.30 H new ATOM 0 HA TYR A 31 19.629 11.291 5.553 1.00 64.24 H new ATOM 0 HB2 TYR A 31 17.893 9.355 5.528 1.00 44.11 H new ATOM 0 HB3 TYR A 31 17.338 9.939 7.084 1.00 44.11 H new ATOM 0 HD1 TYR A 31 18.178 11.555 3.797 1.00 45.41 H new ATOM 0 HD2 TYR A 31 15.345 11.099 6.946 1.00 53.44 H new ATOM 0 HE1 TYR A 31 16.618 13.181 2.638 1.00 25.15 H new ATOM 0 HE2 TYR A 31 13.795 12.726 5.777 1.00 33.11 H new ATOM 0 HH TYR A 31 13.497 14.000 4.071 1.00 24.21 H new ATOM 449 N ARG A 32 19.663 11.549 8.672 1.00 25.42 N ATOM 450 CA ARG A 32 19.642 12.457 9.806 1.00 11.01 C ATOM 451 C ARG A 32 20.993 13.160 9.949 1.00 42.23 C ATOM 452 O ARG A 32 21.976 12.756 9.329 1.00 52.12 O ATOM 453 CB ARG A 32 19.323 11.711 11.103 1.00 5.14 C ATOM 454 CG ARG A 32 17.978 10.989 11.005 1.00 64.44 C ATOM 455 CD ARG A 32 17.474 10.577 12.389 1.00 21.12 C ATOM 456 NE ARG A 32 16.057 10.973 12.550 1.00 3.33 N ATOM 457 CZ ARG A 32 15.322 10.721 13.654 1.00 53.41 C ATOM 458 NH1 ARG A 32 15.864 10.070 14.705 1.00 40.50 N ATOM 459 NH2 ARG A 32 14.064 11.121 13.690 1.00 42.21 N ATOM 0 H ARG A 32 20.154 10.671 8.838 1.00 25.42 H new ATOM 0 HA ARG A 32 18.862 13.196 9.624 1.00 11.01 H new ATOM 0 HB2 ARG A 32 20.112 10.990 11.315 1.00 5.14 H new ATOM 0 HB3 ARG A 32 19.302 12.414 11.935 1.00 5.14 H new ATOM 0 HG2 ARG A 32 17.246 11.640 10.527 1.00 64.44 H new ATOM 0 HG3 ARG A 32 18.080 10.106 10.374 1.00 64.44 H new ATOM 0 HD2 ARG A 32 17.576 9.499 12.516 1.00 21.12 H new ATOM 0 HD3 ARG A 32 18.082 11.048 13.162 1.00 21.12 H new ATOM 0 HE ARG A 32 15.608 11.467 11.779 1.00 3.33 H new ATOM 0 HH11 ARG A 32 16.836 9.764 14.669 1.00 40.50 H new ATOM 0 HH12 ARG A 32 15.301 9.884 15.535 1.00 40.50 H new ATOM 0 HH21 ARG A 32 13.662 11.612 12.892 1.00 42.21 H new ATOM 0 HH22 ARG A 32 13.494 10.939 14.516 1.00 42.21 H new ATOM 472 N ASN A 33 20.999 14.201 10.769 1.00 23.41 N ATOM 473 CA ASN A 33 22.214 14.964 11.001 1.00 72.21 C ATOM 474 C ASN A 33 21.905 16.134 11.937 1.00 31.33 C ATOM 475 O ASN A 33 22.296 17.268 11.669 1.00 44.42 O ATOM 476 CB ASN A 33 22.762 15.537 9.693 1.00 40.32 C ATOM 477 CG ASN A 33 21.871 16.668 9.174 1.00 64.11 C ATOM 478 OD1 ASN A 33 20.577 16.366 9.143 1.00 35.50 O flip ATOM 479 ND2 ASN A 33 22.330 17.744 8.825 1.00 73.34 N flip ATOM 0 H ASN A 33 20.182 14.534 11.281 1.00 23.41 H new ATOM 0 HA ASN A 33 22.954 14.295 11.440 1.00 72.21 H new ATOM 0 HB2 ASN A 33 23.774 15.910 9.851 1.00 40.32 H new ATOM 0 HB3 ASN A 33 22.826 14.747 8.945 1.00 40.32 H new ATOM 0 HD21 ASN A 33 23.335 17.910 8.875 1.00 73.34 H new ATOM 0 HD22 ASN A 33 21.708 18.477 8.484 1.00 73.34 H new ATOM 486 N GLY A 34 21.205 15.817 13.017 1.00 4.01 N ATOM 487 CA GLY A 34 20.840 16.828 13.995 1.00 75.23 C ATOM 488 C GLY A 34 22.069 17.610 14.462 1.00 61.54 C ATOM 489 O GLY A 34 21.992 18.815 14.692 1.00 50.44 O ATOM 0 H GLY A 34 20.881 14.875 13.236 1.00 4.01 H new ATOM 0 HA2 GLY A 34 20.112 17.513 13.560 1.00 75.23 H new ATOM 0 HA3 GLY A 34 20.360 16.354 14.851 1.00 75.23 H new ATOM 493 N PHE A 35 23.175 16.891 14.588 1.00 71.33 N ATOM 494 CA PHE A 35 24.419 17.502 15.023 1.00 22.10 C ATOM 495 C PHE A 35 25.466 17.469 13.908 1.00 70.23 C ATOM 496 O PHE A 35 26.635 17.772 14.140 1.00 42.14 O ATOM 497 CB PHE A 35 24.929 16.682 16.210 1.00 63.45 C ATOM 498 CG PHE A 35 25.842 17.461 17.159 1.00 53.24 C ATOM 499 CD1 PHE A 35 27.171 17.565 16.892 1.00 62.33 C ATOM 500 CD2 PHE A 35 25.323 18.051 18.269 1.00 21.21 C ATOM 501 CE1 PHE A 35 28.018 18.288 17.772 1.00 0.35 C ATOM 502 CE2 PHE A 35 26.170 18.774 19.150 1.00 51.41 C ATOM 503 CZ PHE A 35 27.499 18.878 18.883 1.00 64.10 C ATOM 0 H PHE A 35 23.235 15.891 14.396 1.00 71.33 H new ATOM 0 HA PHE A 35 24.247 18.544 15.292 1.00 22.10 H new ATOM 0 HB2 PHE A 35 24.074 16.306 16.772 1.00 63.45 H new ATOM 0 HB3 PHE A 35 25.470 15.814 15.833 1.00 63.45 H new ATOM 0 HD1 PHE A 35 27.582 17.097 16.010 1.00 62.33 H new ATOM 0 HD2 PHE A 35 24.267 17.970 18.480 1.00 21.21 H new ATOM 0 HE1 PHE A 35 29.074 18.370 17.560 1.00 0.35 H new ATOM 0 HE2 PHE A 35 25.758 19.241 20.032 1.00 51.41 H new ATOM 0 HZ PHE A 35 28.143 19.429 19.553 1.00 64.10 H new ATOM 513 N TYR A 36 25.008 17.098 12.721 1.00 22.40 N ATOM 514 CA TYR A 36 25.890 17.021 11.569 1.00 24.21 C ATOM 515 C TYR A 36 27.286 16.546 11.978 1.00 3.42 C ATOM 516 O TYR A 36 28.288 17.140 11.582 1.00 24.32 O ATOM 517 CB TYR A 36 25.990 18.445 11.018 1.00 31.25 C ATOM 518 CG TYR A 36 26.636 18.533 9.635 1.00 41.25 C ATOM 519 CD1 TYR A 36 26.241 17.670 8.632 1.00 4.32 C ATOM 520 CD2 TYR A 36 27.614 19.476 9.388 1.00 33.43 C ATOM 521 CE1 TYR A 36 26.850 17.753 7.330 1.00 54.44 C ATOM 522 CE2 TYR A 36 28.222 19.559 8.086 1.00 71.33 C ATOM 523 CZ TYR A 36 27.810 18.694 7.121 1.00 72.43 C ATOM 524 OH TYR A 36 28.384 18.772 5.890 1.00 3.14 O ATOM 0 H TYR A 36 24.037 16.847 12.532 1.00 22.40 H new ATOM 0 HA TYR A 36 25.501 16.315 10.835 1.00 24.21 H new ATOM 0 HB2 TYR A 36 24.990 18.875 10.969 1.00 31.25 H new ATOM 0 HB3 TYR A 36 26.565 19.054 11.716 1.00 31.25 H new ATOM 0 HD1 TYR A 36 25.475 16.933 8.824 1.00 4.32 H new ATOM 0 HD2 TYR A 36 27.923 20.152 10.172 1.00 33.43 H new ATOM 0 HE1 TYR A 36 26.551 17.083 6.537 1.00 54.44 H new ATOM 0 HE2 TYR A 36 28.988 20.292 7.880 1.00 71.33 H new ATOM 0 HH TYR A 36 29.051 19.490 5.885 1.00 3.14 H new ATOM 534 N LEU A 37 27.307 15.481 12.766 1.00 61.04 N ATOM 535 CA LEU A 37 28.563 14.920 13.233 1.00 44.04 C ATOM 536 C LEU A 37 28.697 13.484 12.722 1.00 40.13 C ATOM 537 O LEU A 37 29.468 12.696 13.268 1.00 50.32 O ATOM 538 CB LEU A 37 28.673 15.044 14.754 1.00 42.34 C ATOM 539 CG LEU A 37 29.652 16.100 15.271 1.00 24.25 C ATOM 540 CD1 LEU A 37 31.094 15.594 15.195 1.00 3.22 C ATOM 541 CD2 LEU A 37 29.470 17.427 14.532 1.00 62.55 C ATOM 0 H LEU A 37 26.474 14.992 13.093 1.00 61.04 H new ATOM 0 HA LEU A 37 29.405 15.483 12.829 1.00 44.04 H new ATOM 0 HB2 LEU A 37 27.684 15.268 15.153 1.00 42.34 H new ATOM 0 HB3 LEU A 37 28.968 14.075 15.157 1.00 42.34 H new ATOM 0 HG LEU A 37 29.430 16.285 16.322 1.00 24.25 H new ATOM 0 HD11 LEU A 37 31.770 16.363 15.568 1.00 3.22 H new ATOM 0 HD12 LEU A 37 31.197 14.695 15.803 1.00 3.22 H new ATOM 0 HD13 LEU A 37 31.344 15.363 14.160 1.00 3.22 H new ATOM 0 HD21 LEU A 37 30.178 18.159 14.919 1.00 62.55 H new ATOM 0 HD22 LEU A 37 29.648 17.278 13.467 1.00 62.55 H new ATOM 0 HD23 LEU A 37 28.453 17.791 14.682 1.00 62.55 H new ATOM 553 N LEU A 38 27.934 13.187 11.680 1.00 42.11 N ATOM 554 CA LEU A 38 27.958 11.860 11.089 1.00 32.23 C ATOM 555 C LEU A 38 27.286 10.870 12.043 1.00 25.23 C ATOM 556 O LEU A 38 27.216 9.676 11.756 1.00 23.20 O ATOM 557 CB LEU A 38 29.386 11.470 10.704 1.00 42.12 C ATOM 558 CG LEU A 38 29.692 9.971 10.690 1.00 71.04 C ATOM 559 CD1 LEU A 38 29.727 9.405 12.111 1.00 54.14 C ATOM 560 CD2 LEU A 38 28.703 9.218 9.797 1.00 43.31 C ATOM 0 H LEU A 38 27.295 13.843 11.230 1.00 42.11 H new ATOM 0 HA LEU A 38 27.388 11.846 10.160 1.00 32.23 H new ATOM 0 HB2 LEU A 38 29.597 11.873 9.713 1.00 42.12 H new ATOM 0 HB3 LEU A 38 30.073 11.954 11.398 1.00 42.12 H new ATOM 0 HG LEU A 38 30.685 9.829 10.263 1.00 71.04 H new ATOM 0 HD11 LEU A 38 29.946 8.338 12.072 1.00 54.14 H new ATOM 0 HD12 LEU A 38 30.500 9.914 12.686 1.00 54.14 H new ATOM 0 HD13 LEU A 38 28.759 9.559 12.588 1.00 54.14 H new ATOM 0 HD21 LEU A 38 28.943 8.155 9.805 1.00 43.31 H new ATOM 0 HD22 LEU A 38 27.690 9.364 10.172 1.00 43.31 H new ATOM 0 HD23 LEU A 38 28.771 9.598 8.778 1.00 43.31 H new ATOM 572 N LYS A 39 26.810 11.403 13.159 1.00 61.51 N ATOM 573 CA LYS A 39 26.147 10.581 14.157 1.00 71.31 C ATOM 574 C LYS A 39 25.271 11.469 15.043 1.00 43.11 C ATOM 575 O LYS A 39 25.235 12.686 14.865 1.00 74.31 O ATOM 576 CB LYS A 39 27.171 9.754 14.937 1.00 61.45 C ATOM 577 CG LYS A 39 27.607 10.480 16.211 1.00 41.15 C ATOM 578 CD LYS A 39 28.402 11.744 15.876 1.00 11.03 C ATOM 579 CE LYS A 39 28.388 12.727 17.049 1.00 75.23 C ATOM 580 NZ LYS A 39 28.256 12.001 18.332 1.00 63.01 N ATOM 0 H LYS A 39 26.870 12.394 13.394 1.00 61.51 H new ATOM 0 HA LYS A 39 25.487 9.858 13.677 1.00 71.31 H new ATOM 0 HB2 LYS A 39 26.741 8.786 15.195 1.00 61.45 H new ATOM 0 HB3 LYS A 39 28.041 9.560 14.309 1.00 61.45 H new ATOM 0 HG2 LYS A 39 26.730 10.744 16.802 1.00 41.15 H new ATOM 0 HG3 LYS A 39 28.216 9.815 16.823 1.00 41.15 H new ATOM 0 HD2 LYS A 39 29.430 11.477 15.632 1.00 11.03 H new ATOM 0 HD3 LYS A 39 27.978 12.221 14.992 1.00 11.03 H new ATOM 0 HE2 LYS A 39 29.306 13.315 17.050 1.00 75.23 H new ATOM 0 HE3 LYS A 39 27.561 13.428 16.934 1.00 75.23 H new ATOM 0 HZ1 LYS A 39 28.581 12.610 19.110 1.00 63.01 H new ATOM 0 HZ2 LYS A 39 27.260 11.745 18.485 1.00 63.01 H new ATOM 0 HZ3 LYS A 39 28.835 11.137 18.303 1.00 63.01 H new ATOM 593 N TYR A 40 24.588 10.827 15.978 1.00 34.45 N ATOM 594 CA TYR A 40 23.715 11.543 16.893 1.00 53.34 C ATOM 595 C TYR A 40 23.921 11.070 18.333 1.00 62.43 C ATOM 596 O TYR A 40 24.042 11.884 19.247 1.00 52.14 O ATOM 597 CB TYR A 40 22.286 11.211 16.459 1.00 74.21 C ATOM 598 CG TYR A 40 22.200 10.158 15.352 1.00 23.22 C ATOM 599 CD1 TYR A 40 22.259 10.542 14.028 1.00 43.20 C ATOM 600 CD2 TYR A 40 22.064 8.824 15.678 1.00 23.21 C ATOM 601 CE1 TYR A 40 22.179 9.551 12.986 1.00 11.23 C ATOM 602 CE2 TYR A 40 21.984 7.833 14.636 1.00 31.34 C ATOM 603 CZ TYR A 40 22.045 8.245 13.342 1.00 43.40 C ATOM 604 OH TYR A 40 21.969 7.309 12.358 1.00 4.42 O ATOM 0 H TYR A 40 24.621 9.818 16.122 1.00 34.45 H new ATOM 0 HA TYR A 40 23.924 12.612 16.863 1.00 53.34 H new ATOM 0 HB2 TYR A 40 21.727 10.859 17.326 1.00 74.21 H new ATOM 0 HB3 TYR A 40 21.800 12.124 16.116 1.00 74.21 H new ATOM 0 HD1 TYR A 40 22.365 11.586 13.773 1.00 43.20 H new ATOM 0 HD2 TYR A 40 22.018 8.523 16.714 1.00 23.21 H new ATOM 0 HE1 TYR A 40 22.224 9.838 11.946 1.00 11.23 H new ATOM 0 HE2 TYR A 40 21.878 6.786 14.877 1.00 31.34 H new ATOM 0 HH TYR A 40 21.876 6.420 12.759 1.00 4.42 H new ATOM 614 N ASP A 41 23.956 9.755 18.490 1.00 33.51 N ATOM 615 CA ASP A 41 24.145 9.163 19.803 1.00 25.34 C ATOM 616 C ASP A 41 24.428 7.667 19.648 1.00 33.01 C ATOM 617 O ASP A 41 24.074 7.067 18.634 1.00 23.01 O ATOM 618 CB ASP A 41 22.891 9.320 20.665 1.00 1.10 C ATOM 619 CG ASP A 41 22.881 10.552 21.573 1.00 75.41 C ATOM 620 OD1 ASP A 41 23.265 10.481 22.750 1.00 73.22 O ATOM 621 OD2 ASP A 41 22.449 11.634 21.019 1.00 61.32 O ATOM 0 H ASP A 41 23.857 9.083 17.729 1.00 33.51 H new ATOM 0 HA ASP A 41 24.979 9.673 20.285 1.00 25.34 H new ATOM 0 HB2 ASP A 41 22.021 9.363 20.010 1.00 1.10 H new ATOM 0 HB3 ASP A 41 22.780 8.430 21.284 1.00 1.10 H new ATOM 627 N GLU A 42 25.062 7.108 20.668 1.00 32.13 N ATOM 628 CA GLU A 42 25.396 5.694 20.658 1.00 75.22 C ATOM 629 C GLU A 42 26.366 5.369 21.795 1.00 45.12 C ATOM 630 O GLU A 42 26.991 6.267 22.358 1.00 35.14 O ATOM 631 CB GLU A 42 25.976 5.278 19.305 1.00 25.51 C ATOM 632 CG GLU A 42 26.886 6.370 18.740 1.00 63.15 C ATOM 633 CD GLU A 42 27.907 5.782 17.763 1.00 41.00 C ATOM 634 OE1 GLU A 42 27.654 5.744 16.550 1.00 73.12 O ATOM 635 OE2 GLU A 42 28.997 5.356 18.305 1.00 63.30 O ATOM 0 H GLU A 42 25.353 7.609 21.507 1.00 32.13 H new ATOM 0 HA GLU A 42 24.481 5.123 20.815 1.00 75.22 H new ATOM 0 HB2 GLU A 42 26.539 4.352 19.416 1.00 25.51 H new ATOM 0 HB3 GLU A 42 25.166 5.076 18.604 1.00 25.51 H new ATOM 0 HG2 GLU A 42 26.284 7.124 18.232 1.00 63.15 H new ATOM 0 HG3 GLU A 42 27.406 6.873 19.555 1.00 63.15 H new ATOM 643 N GLU A 43 26.464 4.083 22.098 1.00 34.01 N ATOM 644 CA GLU A 43 27.348 3.629 23.158 1.00 60.33 C ATOM 645 C GLU A 43 27.637 2.134 23.004 1.00 54.01 C ATOM 646 O GLU A 43 27.942 1.453 23.982 1.00 44.43 O ATOM 647 CB GLU A 43 26.756 3.934 24.535 1.00 75.21 C ATOM 648 CG GLU A 43 25.967 2.737 25.070 1.00 24.42 C ATOM 649 CD GLU A 43 24.804 3.196 25.952 1.00 62.23 C ATOM 650 OE1 GLU A 43 24.999 3.458 27.148 1.00 52.11 O ATOM 651 OE2 GLU A 43 23.665 3.277 25.352 1.00 11.42 O ATOM 0 H GLU A 43 25.946 3.341 21.628 1.00 34.01 H new ATOM 0 HA GLU A 43 28.290 4.172 23.076 1.00 60.33 H new ATOM 0 HB2 GLU A 43 27.556 4.187 25.231 1.00 75.21 H new ATOM 0 HB3 GLU A 43 26.103 4.804 24.469 1.00 75.21 H new ATOM 0 HG2 GLU A 43 25.585 2.147 24.237 1.00 24.42 H new ATOM 0 HG3 GLU A 43 26.629 2.088 25.643 1.00 24.42 H new ATOM 659 N TRP A 44 27.529 1.667 21.769 1.00 42.25 N ATOM 660 CA TRP A 44 27.775 0.266 21.474 1.00 32.31 C ATOM 661 C TRP A 44 28.612 0.191 20.196 1.00 73.25 C ATOM 662 O TRP A 44 28.097 0.406 19.099 1.00 2.12 O ATOM 663 CB TRP A 44 26.461 -0.512 21.375 1.00 21.22 C ATOM 664 CG TRP A 44 26.636 -2.032 21.379 1.00 21.21 C ATOM 665 CD1 TRP A 44 27.752 -2.734 21.622 1.00 13.41 C ATOM 666 CD2 TRP A 44 25.613 -3.016 21.117 1.00 42.01 C ATOM 667 NE1 TRP A 44 27.524 -4.092 21.536 1.00 52.00 N ATOM 668 CE2 TRP A 44 26.182 -4.269 21.219 1.00 21.11 C ATOM 669 CE3 TRP A 44 24.252 -2.852 20.804 1.00 64.52 C ATOM 670 CZ2 TRP A 44 25.464 -5.455 21.023 1.00 23.11 C ATOM 671 CZ3 TRP A 44 23.549 -4.047 20.611 1.00 71.41 C ATOM 672 CH2 TRP A 44 24.107 -5.317 20.710 1.00 12.41 C ATOM 0 H TRP A 44 27.274 2.235 20.961 1.00 42.25 H new ATOM 0 HA TRP A 44 28.333 -0.206 22.283 1.00 32.31 H new ATOM 0 HB2 TRP A 44 25.819 -0.228 22.209 1.00 21.22 H new ATOM 0 HB3 TRP A 44 25.945 -0.218 20.461 1.00 21.22 H new ATOM 0 HD1 TRP A 44 28.709 -2.292 21.856 1.00 13.41 H new ATOM 0 HE1 TRP A 44 28.213 -4.830 21.679 1.00 52.00 H new ATOM 0 HE3 TRP A 44 23.786 -1.881 20.719 1.00 64.52 H new ATOM 0 HZ2 TRP A 44 25.932 -6.424 21.109 1.00 23.11 H new ATOM 0 HZ3 TRP A 44 22.499 -3.978 20.368 1.00 71.41 H new ATOM 0 HH2 TRP A 44 23.496 -6.192 20.546 1.00 12.41 H new ATOM 683 N TYR A 45 29.888 -0.115 20.379 1.00 72.25 N ATOM 684 CA TYR A 45 30.801 -0.221 19.253 1.00 32.12 C ATOM 685 C TYR A 45 30.182 -1.043 18.121 1.00 40.14 C ATOM 686 O TYR A 45 29.100 -1.607 18.277 1.00 24.15 O ATOM 687 CB TYR A 45 32.037 -0.952 19.781 1.00 42.33 C ATOM 688 CG TYR A 45 33.242 -0.041 20.022 1.00 4.44 C ATOM 689 CD1 TYR A 45 33.078 1.161 20.681 1.00 21.34 C ATOM 690 CD2 TYR A 45 34.494 -0.420 19.581 1.00 31.34 C ATOM 691 CE1 TYR A 45 34.212 2.018 20.909 1.00 44.11 C ATOM 692 CE2 TYR A 45 35.628 0.437 19.809 1.00 42.10 C ATOM 693 CZ TYR A 45 35.431 1.614 20.461 1.00 4.14 C ATOM 694 OH TYR A 45 36.503 2.424 20.676 1.00 33.13 O ATOM 0 H TYR A 45 30.311 -0.293 21.290 1.00 72.25 H new ATOM 0 HA TYR A 45 31.037 0.766 18.855 1.00 32.12 H new ATOM 0 HB2 TYR A 45 31.780 -1.452 20.715 1.00 42.33 H new ATOM 0 HB3 TYR A 45 32.318 -1.729 19.070 1.00 42.33 H new ATOM 0 HD1 TYR A 45 32.099 1.458 21.026 1.00 21.34 H new ATOM 0 HD2 TYR A 45 34.623 -1.360 19.065 1.00 31.34 H new ATOM 0 HE1 TYR A 45 34.097 2.960 21.424 1.00 44.11 H new ATOM 0 HE2 TYR A 45 36.613 0.152 19.470 1.00 42.10 H new ATOM 0 HH TYR A 45 37.308 2.007 20.303 1.00 33.13 H new ATOM 704 N PRO A 46 30.914 -1.085 16.975 1.00 20.52 N ATOM 705 CA PRO A 46 30.449 -1.829 15.817 1.00 55.22 C ATOM 706 C PRO A 46 30.623 -3.335 16.025 1.00 0.51 C ATOM 707 O PRO A 46 31.570 -3.769 16.679 1.00 42.31 O ATOM 708 CB PRO A 46 31.264 -1.292 14.651 1.00 34.14 C ATOM 709 CG PRO A 46 32.472 -0.606 15.269 1.00 73.45 C ATOM 710 CD PRO A 46 32.199 -0.430 16.753 1.00 3.54 C ATOM 0 HA PRO A 46 29.382 -1.698 15.634 1.00 55.22 H new ATOM 0 HB2 PRO A 46 31.571 -2.098 13.985 1.00 34.14 H new ATOM 0 HB3 PRO A 46 30.679 -0.591 14.055 1.00 34.14 H new ATOM 0 HG2 PRO A 46 33.371 -1.203 15.114 1.00 73.45 H new ATOM 0 HG3 PRO A 46 32.646 0.360 14.796 1.00 73.45 H new ATOM 0 HD2 PRO A 46 32.984 -0.885 17.357 1.00 3.54 H new ATOM 0 HD3 PRO A 46 32.158 0.625 17.025 1.00 3.54 H new ATOM 718 N GLU A 47 29.694 -4.090 15.457 1.00 44.31 N ATOM 719 CA GLU A 47 29.734 -5.538 15.572 1.00 14.42 C ATOM 720 C GLU A 47 28.427 -6.146 15.060 1.00 34.43 C ATOM 721 O GLU A 47 27.583 -5.441 14.509 1.00 61.00 O ATOM 722 CB GLU A 47 30.010 -5.966 17.015 1.00 52.51 C ATOM 723 CG GLU A 47 29.450 -4.944 18.007 1.00 50.24 C ATOM 724 CD GLU A 47 28.809 -5.641 19.208 1.00 14.43 C ATOM 725 OE1 GLU A 47 27.841 -6.398 19.042 1.00 23.30 O ATOM 726 OE2 GLU A 47 29.351 -5.372 20.348 1.00 70.24 O ATOM 0 H GLU A 47 28.909 -3.726 14.916 1.00 44.31 H new ATOM 0 HA GLU A 47 30.552 -5.910 14.955 1.00 14.42 H new ATOM 0 HB2 GLU A 47 29.561 -6.942 17.201 1.00 52.51 H new ATOM 0 HB3 GLU A 47 31.084 -6.075 17.167 1.00 52.51 H new ATOM 0 HG2 GLU A 47 30.250 -4.286 18.348 1.00 50.24 H new ATOM 0 HG3 GLU A 47 28.711 -4.316 17.509 1.00 50.24 H new ATOM 734 N GLU A 48 28.300 -7.450 15.261 1.00 13.11 N ATOM 735 CA GLU A 48 27.110 -8.162 14.827 1.00 53.42 C ATOM 736 C GLU A 48 26.055 -7.174 14.323 1.00 32.33 C ATOM 737 O GLU A 48 25.185 -6.749 15.082 1.00 30.20 O ATOM 738 CB GLU A 48 26.551 -9.034 15.953 1.00 50.04 C ATOM 739 CG GLU A 48 27.484 -10.209 16.250 1.00 61.51 C ATOM 740 CD GLU A 48 27.719 -10.356 17.755 1.00 60.12 C ATOM 741 OE1 GLU A 48 28.848 -10.639 18.181 1.00 24.42 O ATOM 742 OE2 GLU A 48 26.677 -10.163 18.491 1.00 61.55 O ATOM 0 H GLU A 48 29.002 -8.032 15.719 1.00 13.11 H new ATOM 0 HA GLU A 48 27.385 -8.822 14.004 1.00 53.42 H new ATOM 0 HB2 GLU A 48 26.420 -8.433 16.853 1.00 50.04 H new ATOM 0 HB3 GLU A 48 25.566 -9.408 15.673 1.00 50.04 H new ATOM 0 HG2 GLU A 48 27.054 -11.129 15.854 1.00 61.51 H new ATOM 0 HG3 GLU A 48 28.437 -10.059 15.743 1.00 61.51 H new ATOM 750 N LEU A 49 26.167 -6.838 13.047 1.00 73.14 N ATOM 751 CA LEU A 49 25.233 -5.909 12.433 1.00 44.31 C ATOM 752 C LEU A 49 23.832 -6.522 12.439 1.00 14.21 C ATOM 753 O LEU A 49 23.629 -7.612 12.972 1.00 43.14 O ATOM 754 CB LEU A 49 25.720 -5.501 11.041 1.00 63.32 C ATOM 755 CG LEU A 49 25.226 -4.148 10.527 1.00 50.41 C ATOM 756 CD1 LEU A 49 26.396 -3.192 10.286 1.00 2.14 C ATOM 757 CD2 LEU A 49 24.359 -4.319 9.278 1.00 45.44 C ATOM 0 H LEU A 49 26.890 -7.192 12.421 1.00 73.14 H new ATOM 0 HA LEU A 49 25.180 -4.986 13.010 1.00 44.31 H new ATOM 0 HB2 LEU A 49 26.810 -5.488 11.049 1.00 63.32 H new ATOM 0 HB3 LEU A 49 25.415 -6.270 10.331 1.00 63.32 H new ATOM 0 HG LEU A 49 24.597 -3.700 11.296 1.00 50.41 H new ATOM 0 HD11 LEU A 49 26.017 -2.238 9.921 1.00 2.14 H new ATOM 0 HD12 LEU A 49 26.936 -3.035 11.220 1.00 2.14 H new ATOM 0 HD13 LEU A 49 27.070 -3.622 9.545 1.00 2.14 H new ATOM 0 HD21 LEU A 49 24.021 -3.342 8.933 1.00 45.44 H new ATOM 0 HD22 LEU A 49 24.943 -4.799 8.493 1.00 45.44 H new ATOM 0 HD23 LEU A 49 23.495 -4.938 9.517 1.00 45.44 H new ATOM 769 N LEU A 50 22.900 -5.794 11.841 1.00 73.31 N ATOM 770 CA LEU A 50 21.523 -6.253 11.771 1.00 52.12 C ATOM 771 C LEU A 50 21.451 -7.506 10.895 1.00 11.34 C ATOM 772 O LEU A 50 20.991 -7.446 9.756 1.00 1.31 O ATOM 773 CB LEU A 50 20.605 -5.122 11.303 1.00 74.14 C ATOM 774 CG LEU A 50 20.969 -4.471 9.967 1.00 65.32 C ATOM 775 CD1 LEU A 50 20.241 -5.154 8.807 1.00 12.44 C ATOM 776 CD2 LEU A 50 20.707 -2.964 10.001 1.00 22.43 C ATOM 0 H LEU A 50 23.071 -4.890 11.401 1.00 73.31 H new ATOM 0 HA LEU A 50 21.165 -6.535 12.761 1.00 52.12 H new ATOM 0 HB2 LEU A 50 19.590 -5.512 11.230 1.00 74.14 H new ATOM 0 HB3 LEU A 50 20.595 -4.348 12.071 1.00 74.14 H new ATOM 0 HG LEU A 50 22.038 -4.608 9.801 1.00 65.32 H new ATOM 0 HD11 LEU A 50 20.518 -4.672 7.869 1.00 12.44 H new ATOM 0 HD12 LEU A 50 20.522 -6.207 8.770 1.00 12.44 H new ATOM 0 HD13 LEU A 50 19.164 -5.071 8.954 1.00 12.44 H new ATOM 0 HD21 LEU A 50 20.974 -2.526 9.039 1.00 22.43 H new ATOM 0 HD22 LEU A 50 19.651 -2.783 10.201 1.00 22.43 H new ATOM 0 HD23 LEU A 50 21.309 -2.508 10.787 1.00 22.43 H new ATOM 788 N THR A 51 21.912 -8.611 11.461 1.00 24.31 N ATOM 789 CA THR A 51 21.906 -9.876 10.746 1.00 23.44 C ATOM 790 C THR A 51 22.783 -9.786 9.495 1.00 34.44 C ATOM 791 O THR A 51 22.686 -10.628 8.604 1.00 71.04 O ATOM 792 CB THR A 51 20.452 -10.242 10.444 1.00 14.33 C ATOM 793 OG1 THR A 51 19.778 -10.038 11.683 1.00 11.03 O ATOM 794 CG2 THR A 51 20.269 -11.734 10.162 1.00 62.31 C ATOM 0 H THR A 51 22.292 -8.657 12.406 1.00 24.31 H new ATOM 0 HA THR A 51 22.338 -10.674 11.350 1.00 23.44 H new ATOM 0 HB THR A 51 20.104 -9.666 9.587 1.00 14.33 H new ATOM 0 HG1 THR A 51 18.827 -10.251 11.577 1.00 11.03 H new ATOM 0 HG21 THR A 51 19.219 -11.939 9.954 1.00 62.31 H new ATOM 0 HG22 THR A 51 20.872 -12.018 9.299 1.00 62.31 H new ATOM 0 HG23 THR A 51 20.586 -12.310 11.031 1.00 62.31 H new ATOM 802 N ASP A 52 23.618 -8.758 9.470 1.00 71.32 N ATOM 803 CA ASP A 52 24.511 -8.547 8.343 1.00 73.50 C ATOM 804 C ASP A 52 25.956 -8.766 8.795 1.00 10.31 C ATOM 805 O ASP A 52 26.873 -8.771 7.975 1.00 74.21 O ATOM 806 CB ASP A 52 24.394 -7.119 7.807 1.00 35.22 C ATOM 807 CG ASP A 52 24.639 -6.970 6.304 1.00 23.05 C ATOM 808 OD1 ASP A 52 24.426 -5.894 5.726 1.00 20.11 O ATOM 809 OD2 ASP A 52 25.074 -8.032 5.715 1.00 2.01 O ATOM 0 H ASP A 52 23.695 -8.062 10.212 1.00 71.32 H new ATOM 0 HA ASP A 52 24.235 -9.250 7.557 1.00 73.50 H new ATOM 0 HB2 ASP A 52 23.398 -6.741 8.037 1.00 35.22 H new ATOM 0 HB3 ASP A 52 25.105 -6.488 8.340 1.00 35.22 H new ATOM 815 N GLY A 53 26.115 -8.940 10.099 1.00 75.31 N ATOM 816 CA GLY A 53 27.433 -9.158 10.670 1.00 73.41 C ATOM 817 C GLY A 53 28.485 -8.302 9.963 1.00 61.14 C ATOM 818 O GLY A 53 29.649 -8.691 9.873 1.00 53.13 O ATOM 0 H GLY A 53 25.352 -8.934 10.776 1.00 75.31 H new ATOM 0 HA2 GLY A 53 27.417 -8.917 11.733 1.00 73.41 H new ATOM 0 HA3 GLY A 53 27.700 -10.211 10.586 1.00 73.41 H new ATOM 822 N GLU A 54 28.038 -7.152 9.479 1.00 65.43 N ATOM 823 CA GLU A 54 28.927 -6.238 8.782 1.00 2.12 C ATOM 824 C GLU A 54 29.908 -5.598 9.767 1.00 62.12 C ATOM 825 O GLU A 54 30.867 -4.945 9.357 1.00 20.34 O ATOM 826 CB GLU A 54 28.133 -5.170 8.027 1.00 2.04 C ATOM 827 CG GLU A 54 28.872 -3.830 8.034 1.00 31.15 C ATOM 828 CD GLU A 54 28.103 -2.776 7.236 1.00 52.31 C ATOM 829 OE1 GLU A 54 27.451 -3.109 6.235 1.00 31.53 O ATOM 830 OE2 GLU A 54 28.198 -1.572 7.689 1.00 44.30 O ATOM 0 H GLU A 54 27.072 -6.833 9.556 1.00 65.43 H new ATOM 0 HA GLU A 54 29.498 -6.806 8.048 1.00 2.12 H new ATOM 0 HB2 GLU A 54 27.968 -5.493 6.999 1.00 2.04 H new ATOM 0 HB3 GLU A 54 27.151 -5.050 8.485 1.00 2.04 H new ATOM 0 HG2 GLU A 54 29.004 -3.489 9.061 1.00 31.15 H new ATOM 0 HG3 GLU A 54 29.868 -3.958 7.610 1.00 31.15 H new ATOM 838 N ASP A 55 29.634 -5.808 11.046 1.00 5.20 N ATOM 839 CA ASP A 55 30.481 -5.260 12.092 1.00 10.31 C ATOM 840 C ASP A 55 30.129 -3.786 12.308 1.00 72.55 C ATOM 841 O ASP A 55 30.896 -2.900 11.934 1.00 32.24 O ATOM 842 CB ASP A 55 31.959 -5.341 11.704 1.00 54.31 C ATOM 843 CG ASP A 55 32.934 -5.394 12.881 1.00 65.31 C ATOM 844 OD1 ASP A 55 34.021 -4.798 12.837 1.00 20.25 O ATOM 845 OD2 ASP A 55 32.535 -6.094 13.889 1.00 43.33 O ATOM 0 H ASP A 55 28.838 -6.350 11.382 1.00 5.20 H new ATOM 0 HA ASP A 55 30.314 -5.841 12.999 1.00 10.31 H new ATOM 0 HB2 ASP A 55 32.109 -6.227 11.087 1.00 54.31 H new ATOM 0 HB3 ASP A 55 32.205 -4.477 11.086 1.00 54.31 H new ATOM 851 N ASP A 56 28.968 -3.570 12.909 1.00 61.32 N ATOM 852 CA ASP A 56 28.505 -2.220 13.178 1.00 10.34 C ATOM 853 C ASP A 56 27.095 -2.277 13.770 1.00 70.25 C ATOM 854 O ASP A 56 26.108 -2.171 13.043 1.00 45.15 O ATOM 855 CB ASP A 56 28.446 -1.391 11.894 1.00 74.14 C ATOM 856 CG ASP A 56 29.487 -0.274 11.796 1.00 74.22 C ATOM 857 OD1 ASP A 56 29.314 0.812 12.369 1.00 21.32 O ATOM 858 OD2 ASP A 56 30.525 -0.558 11.085 1.00 3.32 O ATOM 0 H ASP A 56 28.334 -4.308 13.217 1.00 61.32 H new ATOM 0 HA ASP A 56 29.204 -1.757 13.874 1.00 10.34 H new ATOM 0 HB2 ASP A 56 28.571 -2.059 11.042 1.00 74.14 H new ATOM 0 HB3 ASP A 56 27.453 -0.950 11.810 1.00 74.14 H new ATOM 864 N VAL A 57 27.045 -2.445 15.083 1.00 72.12 N ATOM 865 CA VAL A 57 25.772 -2.518 15.780 1.00 50.11 C ATOM 866 C VAL A 57 25.579 -1.250 16.614 1.00 52.34 C ATOM 867 O VAL A 57 25.319 -1.325 17.814 1.00 41.04 O ATOM 868 CB VAL A 57 25.705 -3.798 16.615 1.00 61.32 C ATOM 869 CG1 VAL A 57 26.463 -3.633 17.934 1.00 50.13 C ATOM 870 CG2 VAL A 57 24.254 -4.215 16.865 1.00 43.25 C ATOM 0 H VAL A 57 27.865 -2.533 15.683 1.00 72.12 H new ATOM 0 HA VAL A 57 24.949 -2.567 15.067 1.00 50.11 H new ATOM 0 HB VAL A 57 26.189 -4.593 16.048 1.00 61.32 H new ATOM 0 HG11 VAL A 57 26.399 -4.557 18.508 1.00 50.13 H new ATOM 0 HG12 VAL A 57 27.509 -3.406 17.727 1.00 50.13 H new ATOM 0 HG13 VAL A 57 26.021 -2.818 18.508 1.00 50.13 H new ATOM 0 HG21 VAL A 57 24.235 -5.128 17.461 1.00 43.25 H new ATOM 0 HG22 VAL A 57 23.734 -3.421 17.401 1.00 43.25 H new ATOM 0 HG23 VAL A 57 23.757 -4.394 15.911 1.00 43.25 H new ATOM 880 N PHE A 58 25.713 -0.114 15.945 1.00 51.13 N ATOM 881 CA PHE A 58 25.556 1.169 16.609 1.00 63.21 C ATOM 882 C PHE A 58 24.322 1.171 17.514 1.00 65.32 C ATOM 883 O PHE A 58 23.192 1.162 17.028 1.00 23.44 O ATOM 884 CB PHE A 58 25.372 2.220 15.513 1.00 0.51 C ATOM 885 CG PHE A 58 24.257 1.893 14.518 1.00 12.50 C ATOM 886 CD1 PHE A 58 24.529 1.152 13.411 1.00 41.22 C ATOM 887 CD2 PHE A 58 22.993 2.344 14.741 1.00 50.12 C ATOM 888 CE1 PHE A 58 23.494 0.849 12.487 1.00 20.43 C ATOM 889 CE2 PHE A 58 21.958 2.041 13.817 1.00 31.53 C ATOM 890 CZ PHE A 58 22.230 1.299 12.710 1.00 2.21 C ATOM 0 H PHE A 58 25.929 -0.055 14.950 1.00 51.13 H new ATOM 0 HA PHE A 58 26.428 1.376 17.229 1.00 63.21 H new ATOM 0 HB2 PHE A 58 25.159 3.182 15.979 1.00 0.51 H new ATOM 0 HB3 PHE A 58 26.310 2.330 14.969 1.00 0.51 H new ATOM 0 HD1 PHE A 58 25.532 0.794 13.234 1.00 41.22 H new ATOM 0 HD2 PHE A 58 22.777 2.932 15.620 1.00 50.12 H new ATOM 0 HE1 PHE A 58 23.711 0.261 11.607 1.00 20.43 H new ATOM 0 HE2 PHE A 58 20.955 2.400 13.993 1.00 31.53 H new ATOM 0 HZ PHE A 58 21.442 1.067 12.008 1.00 2.21 H new ATOM 900 N ASP A 59 24.581 1.183 18.813 1.00 21.32 N ATOM 901 CA ASP A 59 23.506 1.186 19.790 1.00 33.12 C ATOM 902 C ASP A 59 22.649 2.439 19.596 1.00 63.34 C ATOM 903 O ASP A 59 23.169 3.553 19.575 1.00 1.30 O ATOM 904 CB ASP A 59 24.058 1.208 21.217 1.00 72.41 C ATOM 905 CG ASP A 59 23.360 2.185 22.165 1.00 23.55 C ATOM 906 OD1 ASP A 59 24.015 2.917 22.922 1.00 14.22 O ATOM 907 OD2 ASP A 59 22.072 2.175 22.107 1.00 54.33 O ATOM 0 H ASP A 59 25.520 1.191 19.212 1.00 21.32 H new ATOM 0 HA ASP A 59 22.917 0.281 19.645 1.00 33.12 H new ATOM 0 HB2 ASP A 59 23.984 0.204 21.635 1.00 72.41 H new ATOM 0 HB3 ASP A 59 25.118 1.459 21.177 1.00 72.41 H new ATOM 913 N PRO A 60 21.317 2.208 19.454 1.00 34.40 N ATOM 914 CA PRO A 60 20.383 3.304 19.262 1.00 41.43 C ATOM 915 C PRO A 60 20.148 4.060 20.571 1.00 2.31 C ATOM 916 O PRO A 60 19.009 4.206 21.012 1.00 2.11 O ATOM 917 CB PRO A 60 19.122 2.656 18.716 1.00 55.14 C ATOM 918 CG PRO A 60 19.230 1.179 19.058 1.00 11.24 C ATOM 919 CD PRO A 60 20.665 0.901 19.473 1.00 5.02 C ATOM 0 HA PRO A 60 20.758 4.059 18.571 1.00 41.43 H new ATOM 0 HB2 PRO A 60 18.231 3.096 19.164 1.00 55.14 H new ATOM 0 HB3 PRO A 60 19.043 2.803 17.639 1.00 55.14 H new ATOM 0 HG2 PRO A 60 18.543 0.923 19.864 1.00 11.24 H new ATOM 0 HG3 PRO A 60 18.956 0.567 18.199 1.00 11.24 H new ATOM 0 HD2 PRO A 60 20.710 0.450 20.465 1.00 5.02 H new ATOM 0 HD3 PRO A 60 21.149 0.207 18.785 1.00 5.02 H new ATOM 927 N ASP A 61 21.244 4.521 21.156 1.00 40.31 N ATOM 928 CA ASP A 61 21.172 5.259 22.406 1.00 74.51 C ATOM 929 C ASP A 61 20.663 6.675 22.129 1.00 61.30 C ATOM 930 O ASP A 61 20.950 7.247 21.078 1.00 33.34 O ATOM 931 CB ASP A 61 22.550 5.371 23.060 1.00 62.31 C ATOM 932 CG ASP A 61 23.000 6.798 23.380 1.00 33.55 C ATOM 933 OD1 ASP A 61 24.081 7.236 22.960 1.00 54.41 O ATOM 934 OD2 ASP A 61 22.177 7.478 24.105 1.00 44.54 O ATOM 0 H ASP A 61 22.187 4.398 20.787 1.00 40.31 H new ATOM 0 HA ASP A 61 20.498 4.724 23.075 1.00 74.51 H new ATOM 0 HB2 ASP A 61 22.545 4.792 23.983 1.00 62.31 H new ATOM 0 HB3 ASP A 61 23.287 4.913 22.400 1.00 62.31 H new ATOM 940 N LEU A 62 19.917 7.200 23.090 1.00 62.31 N ATOM 941 CA LEU A 62 19.366 8.538 22.963 1.00 41.13 C ATOM 942 C LEU A 62 18.909 8.762 21.520 1.00 72.31 C ATOM 943 O LEU A 62 19.363 9.694 20.858 1.00 22.23 O ATOM 944 CB LEU A 62 20.371 9.580 23.458 1.00 54.51 C ATOM 945 CG LEU A 62 20.126 11.019 22.998 1.00 42.11 C ATOM 946 CD1 LEU A 62 18.629 11.316 22.898 1.00 33.11 C ATOM 947 CD2 LEU A 62 20.849 12.016 23.907 1.00 74.42 C ATOM 0 H LEU A 62 19.681 6.723 23.960 1.00 62.31 H new ATOM 0 HA LEU A 62 18.487 8.650 23.597 1.00 41.13 H new ATOM 0 HB2 LEU A 62 20.375 9.563 24.548 1.00 54.51 H new ATOM 0 HB3 LEU A 62 21.367 9.280 23.131 1.00 54.51 H new ATOM 0 HG LEU A 62 20.544 11.133 21.998 1.00 42.11 H new ATOM 0 HD11 LEU A 62 18.483 12.345 22.569 1.00 33.11 H new ATOM 0 HD12 LEU A 62 18.171 10.637 22.179 1.00 33.11 H new ATOM 0 HD13 LEU A 62 18.165 11.178 23.874 1.00 33.11 H new ATOM 0 HD21 LEU A 62 20.658 13.031 23.558 1.00 74.42 H new ATOM 0 HD22 LEU A 62 20.483 11.909 24.928 1.00 74.42 H new ATOM 0 HD23 LEU A 62 21.921 11.819 23.883 1.00 74.42 H new ATOM 959 N ASP A 63 18.015 7.891 21.074 1.00 21.14 N ATOM 960 CA ASP A 63 17.491 7.982 19.722 1.00 23.41 C ATOM 961 C ASP A 63 16.650 6.739 19.421 1.00 2.53 C ATOM 962 O ASP A 63 17.145 5.778 18.835 1.00 75.22 O ATOM 963 CB ASP A 63 18.624 8.045 18.696 1.00 41.42 C ATOM 964 CG ASP A 63 18.879 9.431 18.100 1.00 43.23 C ATOM 965 OD1 ASP A 63 18.076 10.360 18.275 1.00 25.23 O ATOM 966 OD2 ASP A 63 19.971 9.540 17.420 1.00 34.13 O ATOM 0 H ASP A 63 17.640 7.119 21.625 1.00 21.14 H new ATOM 0 HA ASP A 63 16.890 8.889 19.653 1.00 23.41 H new ATOM 0 HB2 ASP A 63 19.542 7.694 19.168 1.00 41.42 H new ATOM 0 HB3 ASP A 63 18.398 7.353 17.885 1.00 41.42 H new ATOM 972 N MET A 64 15.393 6.800 19.836 1.00 5.15 N ATOM 973 CA MET A 64 14.479 5.692 19.619 1.00 41.13 C ATOM 974 C MET A 64 13.059 6.197 19.353 1.00 23.14 C ATOM 975 O MET A 64 12.873 7.322 18.892 1.00 74.31 O ATOM 976 CB MET A 64 14.476 4.783 20.849 1.00 23.13 C ATOM 977 CG MET A 64 14.343 3.313 20.445 1.00 43.32 C ATOM 978 SD MET A 64 15.956 2.551 20.375 1.00 33.15 S ATOM 979 CE MET A 64 15.712 1.206 21.524 1.00 44.12 C ATOM 0 H MET A 64 14.986 7.600 20.321 1.00 5.15 H new ATOM 0 HA MET A 64 14.816 5.134 18.745 1.00 41.13 H new ATOM 0 HB2 MET A 64 15.397 4.927 21.414 1.00 23.13 H new ATOM 0 HB3 MET A 64 13.652 5.059 21.507 1.00 23.13 H new ATOM 0 HG2 MET A 64 13.713 2.786 21.162 1.00 43.32 H new ATOM 0 HG3 MET A 64 13.853 3.237 19.474 1.00 43.32 H new ATOM 0 HE1 MET A 64 16.629 0.622 21.601 1.00 44.12 H new ATOM 0 HE2 MET A 64 15.453 1.607 22.504 1.00 44.12 H new ATOM 0 HE3 MET A 64 14.904 0.566 21.169 1.00 44.12 H new ATOM 989 N GLU A 65 12.095 5.341 19.657 1.00 72.44 N ATOM 990 CA GLU A 65 10.698 5.686 19.457 1.00 74.32 C ATOM 991 C GLU A 65 10.131 6.354 20.711 1.00 21.33 C ATOM 992 O GLU A 65 8.973 6.138 21.064 1.00 14.13 O ATOM 993 CB GLU A 65 9.877 4.452 19.075 1.00 64.04 C ATOM 994 CG GLU A 65 9.767 4.316 17.555 1.00 51.34 C ATOM 995 CD GLU A 65 8.450 4.905 17.046 1.00 54.41 C ATOM 996 OE1 GLU A 65 8.348 6.127 16.858 1.00 64.20 O ATOM 997 OE2 GLU A 65 7.510 4.045 16.844 1.00 53.22 O ATOM 0 H GLU A 65 12.254 4.409 20.040 1.00 72.44 H new ATOM 0 HA GLU A 65 10.634 6.394 18.631 1.00 74.32 H new ATOM 0 HB2 GLU A 65 10.342 3.558 19.491 1.00 64.04 H new ATOM 0 HB3 GLU A 65 8.880 4.525 19.510 1.00 64.04 H new ATOM 0 HG2 GLU A 65 10.605 4.825 17.079 1.00 51.34 H new ATOM 0 HG3 GLU A 65 9.832 3.265 17.275 1.00 51.34 H new ATOM 1005 N VAL A 66 10.974 7.151 21.350 1.00 3.14 N ATOM 1006 CA VAL A 66 10.572 7.852 22.558 1.00 62.00 C ATOM 1007 C VAL A 66 11.814 8.409 23.257 1.00 61.02 C ATOM 1008 O VAL A 66 11.745 9.438 23.927 1.00 54.45 O ATOM 1009 CB VAL A 66 9.749 6.923 23.453 1.00 71.04 C ATOM 1010 CG1 VAL A 66 10.261 5.484 23.367 1.00 61.20 C ATOM 1011 CG2 VAL A 66 9.744 7.418 24.900 1.00 2.21 C ATOM 0 H VAL A 66 11.934 7.327 21.054 1.00 3.14 H new ATOM 0 HA VAL A 66 9.930 8.698 22.312 1.00 62.00 H new ATOM 0 HB VAL A 66 8.721 6.935 23.092 1.00 71.04 H new ATOM 0 HG11 VAL A 66 9.659 4.844 24.012 1.00 61.20 H new ATOM 0 HG12 VAL A 66 10.188 5.133 22.338 1.00 61.20 H new ATOM 0 HG13 VAL A 66 11.302 5.448 23.689 1.00 61.20 H new ATOM 0 HG21 VAL A 66 9.152 6.740 25.515 1.00 2.21 H new ATOM 0 HG22 VAL A 66 10.766 7.451 25.277 1.00 2.21 H new ATOM 0 HG23 VAL A 66 9.310 8.417 24.941 1.00 2.21 H new ATOM 1021 N VAL A 67 12.921 7.704 23.077 1.00 44.02 N ATOM 1022 CA VAL A 67 14.177 8.115 23.682 1.00 51.24 C ATOM 1023 C VAL A 67 14.873 9.123 22.765 1.00 4.24 C ATOM 1024 O VAL A 67 16.064 8.994 22.486 1.00 63.10 O ATOM 1025 CB VAL A 67 15.039 6.888 23.984 1.00 34.35 C ATOM 1026 CG1 VAL A 67 16.458 7.299 24.382 1.00 33.41 C ATOM 1027 CG2 VAL A 67 14.395 6.020 25.068 1.00 61.12 C ATOM 0 H VAL A 67 12.975 6.851 22.521 1.00 44.02 H new ATOM 0 HA VAL A 67 13.997 8.612 24.635 1.00 51.24 H new ATOM 0 HB VAL A 67 15.106 6.293 23.073 1.00 34.35 H new ATOM 0 HG11 VAL A 67 17.050 6.408 24.591 1.00 33.41 H new ATOM 0 HG12 VAL A 67 16.918 7.856 23.566 1.00 33.41 H new ATOM 0 HG13 VAL A 67 16.419 7.926 25.273 1.00 33.41 H new ATOM 0 HG21 VAL A 67 15.027 5.154 25.264 1.00 61.12 H new ATOM 0 HG22 VAL A 67 14.284 6.603 25.982 1.00 61.12 H new ATOM 0 HG23 VAL A 67 13.415 5.684 24.730 1.00 61.12 H new ATOM 1037 N PHE A 68 14.101 10.105 22.323 1.00 21.21 N ATOM 1038 CA PHE A 68 14.629 11.134 21.444 1.00 1.32 C ATOM 1039 C PHE A 68 14.472 12.522 22.069 1.00 54.12 C ATOM 1040 O PHE A 68 14.248 13.503 21.362 1.00 42.44 O ATOM 1041 CB PHE A 68 13.817 11.076 20.149 1.00 42.03 C ATOM 1042 CG PHE A 68 14.202 12.145 19.124 1.00 1.45 C ATOM 1043 CD1 PHE A 68 15.492 12.256 18.709 1.00 4.33 C ATOM 1044 CD2 PHE A 68 13.254 12.985 18.629 1.00 12.20 C ATOM 1045 CE1 PHE A 68 15.850 13.249 17.759 1.00 73.24 C ATOM 1046 CE2 PHE A 68 13.611 13.978 17.678 1.00 21.44 C ATOM 1047 CZ PHE A 68 14.901 14.088 17.263 1.00 4.52 C ATOM 0 H PHE A 68 13.114 10.210 22.557 1.00 21.21 H new ATOM 0 HA PHE A 68 15.691 10.963 21.266 1.00 1.32 H new ATOM 0 HB2 PHE A 68 13.943 10.092 19.697 1.00 42.03 H new ATOM 0 HB3 PHE A 68 12.759 11.183 20.390 1.00 42.03 H new ATOM 0 HD1 PHE A 68 16.245 11.589 19.102 1.00 4.33 H new ATOM 0 HD2 PHE A 68 12.229 12.897 18.959 1.00 12.20 H new ATOM 0 HE1 PHE A 68 16.875 13.338 17.431 1.00 73.24 H new ATOM 0 HE2 PHE A 68 12.858 14.645 17.285 1.00 21.44 H new ATOM 0 HZ PHE A 68 15.173 14.842 16.539 1.00 4.52 H new ATOM 1057 N GLU A 69 14.594 12.560 23.388 1.00 62.25 N ATOM 1058 CA GLU A 69 14.468 13.811 24.115 1.00 2.04 C ATOM 1059 C GLU A 69 14.430 13.547 25.622 1.00 4.20 C ATOM 1060 O GLU A 69 14.909 14.361 26.411 1.00 54.14 O ATOM 1061 CB GLU A 69 13.229 14.586 23.663 1.00 0.02 C ATOM 1062 CG GLU A 69 13.604 15.991 23.189 1.00 42.43 C ATOM 1063 CD GLU A 69 14.067 16.860 24.360 1.00 1.20 C ATOM 1064 OE1 GLU A 69 13.626 16.651 25.500 1.00 71.43 O ATOM 1065 OE2 GLU A 69 14.917 17.781 24.053 1.00 23.44 O ATOM 0 H GLU A 69 14.779 11.744 23.972 1.00 62.25 H new ATOM 0 HA GLU A 69 15.341 14.426 23.895 1.00 2.04 H new ATOM 0 HB2 GLU A 69 12.733 14.047 22.856 1.00 0.02 H new ATOM 0 HB3 GLU A 69 12.518 14.654 24.486 1.00 0.02 H new ATOM 0 HG2 GLU A 69 14.396 15.928 22.443 1.00 42.43 H new ATOM 0 HG3 GLU A 69 12.746 16.456 22.704 1.00 42.43 H new ATOM 1073 N THR A 70 13.857 12.406 25.977 1.00 42.45 N ATOM 1074 CA THR A 70 13.751 12.025 27.375 1.00 53.24 C ATOM 1075 C THR A 70 15.124 11.642 27.929 1.00 61.52 C ATOM 1076 O THR A 70 15.886 12.505 28.361 1.00 65.13 O ATOM 1077 CB THR A 70 12.717 10.902 27.481 1.00 42.11 C ATOM 1078 OG1 THR A 70 11.464 11.579 27.444 1.00 32.01 O ATOM 1079 CG2 THR A 70 12.732 10.220 28.851 1.00 43.25 C ATOM 0 H THR A 70 13.461 11.733 25.320 1.00 42.45 H new ATOM 0 HA THR A 70 13.410 12.859 27.988 1.00 53.24 H new ATOM 0 HB THR A 70 12.905 10.161 26.704 1.00 42.11 H new ATOM 0 HG1 THR A 70 10.737 10.925 27.506 1.00 32.01 H new ATOM 0 HG21 THR A 70 11.980 9.431 28.873 1.00 43.25 H new ATOM 0 HG22 THR A 70 13.716 9.788 29.032 1.00 43.25 H new ATOM 0 HG23 THR A 70 12.510 10.954 29.625 1.00 43.25 H new ATOM 1087 N GLN A 71 15.398 10.346 27.899 1.00 60.44 N ATOM 1088 CA GLN A 71 16.666 9.837 28.393 1.00 43.04 C ATOM 1089 C GLN A 71 17.016 8.518 27.700 1.00 55.33 C ATOM 1090 O GLN A 71 16.184 7.615 27.621 1.00 24.05 O ATOM 1091 CB GLN A 71 16.634 9.666 29.913 1.00 72.14 C ATOM 1092 CG GLN A 71 17.584 8.553 30.360 1.00 51.14 C ATOM 1093 CD GLN A 71 16.857 7.208 30.433 1.00 5.41 C ATOM 1094 OE1 GLN A 71 15.659 7.109 30.228 1.00 11.23 O ATOM 1095 NE2 GLN A 71 17.648 6.183 30.736 1.00 32.50 N ATOM 0 H GLN A 71 14.763 9.633 27.540 1.00 60.44 H new ATOM 0 HA GLN A 71 17.443 10.565 28.159 1.00 43.04 H new ATOM 0 HB2 GLN A 71 16.914 10.603 30.394 1.00 72.14 H new ATOM 0 HB3 GLN A 71 15.619 9.434 30.235 1.00 72.14 H new ATOM 0 HG2 GLN A 71 18.419 8.482 29.664 1.00 51.14 H new ATOM 0 HG3 GLN A 71 18.003 8.798 31.336 1.00 51.14 H new ATOM 0 HE21 GLN A 71 18.644 6.337 30.895 1.00 32.50 H new ATOM 0 HE22 GLN A 71 17.259 5.243 30.809 1.00 32.50 H new TER 1104 GLN A 71 HETATM 1105 ZN ZN A 101 11.512 2.043 5.499 1.00 0.22 ZN CONECT 188 1105 CONECT 212 1105 CONECT 319 1105 CONECT 365 1105 CONECT 1105 188 212 319 365 END