USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) HEADER HYDROLASE(XYLAN DEGRADATION) 22-NOV-00 1HEH TITLE C-TERMINAL XYLAN BINDING DOMAIN FROM CELLULOMONAS FIMI TITLE 2 XYLANASE 11A COMPND MOL_ID: 1; COMPND 2 MOLECULE: ENDO-1,4-BETA-XYLANASE D; COMPND 3 CHAIN: C; COMPND 4 FRAGMENT: XYLAN BINDING DOMAIN 2; COMPND 5 SYNONYM: XYLANASE D, CBM2B-2, XBD2; COMPND 6 EC: 3.2.1.8; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; SOURCE 3 ORGANISM_TAXID: 1708; SOURCE 4 STRAIN: JM83; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) KEYWDS HYDROLASE(XYLAN DEGRADATION), HYDROLASE, XYLAN BINDING KEYWDS 2 DOMAIN, XYLANASE, BETA-SHEET EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR P.J.SIMPSON,X.HEFANG,D.N.BOLAM,P.WHITE,S.M.HANCOCK, AUTHOR 2 H.J.GILBERT,M.P.WILLIAMSON REVDAT 2 24-FEB-09 1HEH 1 VERSN REVDAT 1 10-MAY-01 1HEH 0 JRNL AUTH D.N.BOLAM,H.XIE,P.WHITE,P.J.SIMPSON,S.M.HANCOCK, JRNL AUTH 2 M.P.WILLIAMSON,H.J.GILBERT JRNL TITL EVIDENCE FOR SYNERGY BETWEEN FAMILY 2B JRNL TITL 2 CARBOHYDRATE BINDING MODULES IN CELLULOMONAS FIMI JRNL TITL 3 XYLANASE 11A JRNL REF BIOCHEMISTRY V. 40 2468 2001 JRNL REFN ISSN 0006-2960 JRNL PMID 11327868 JRNL DOI 10.1021/BI002564L REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: YASAP PROTOCOL. DETAILS IN THE JRNL REMARK 3 CITATION. REMARK 4 REMARK 4 1HEH COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 22-NOV-00. REMARK 100 THE PDBE ID CODE IS EBI-5577. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 5.0 REMARK 210 SAMPLE CONTENTS : SODIUM PHOSPHATE 50 MM, REMARK 210 SODIUM AZIDE 10 MM REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : TOCSY, DQF-COSY, NOESY, REMARK 210 E.COSY, HSQC, NOESY-HMQC, REMARK 210 TOCSY-HMQC, HNHA, HNHB REMARK 210 SPECTROMETER FIELD STRENGTH : 500; 600 REMARK 210 SPECTROMETER MODEL : DRX500; DRX600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : MSI FELIX 97.0 REMARK 210 METHOD USED : HYBRID DISTANCE GEOMETRY/ REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 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: MINIMISED AVERAGE FROM BEST 23 OUT OF 50. THE REMARK 210 STRUCTURE WAS DETERMINED USING HETERONUCLEAR NMR REMARK 210 SPECTROSCOPY ON A UNIFORMLY 15N-LABELLED SAMPLE OF XBD2 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 400 REMARK 400 COMPOUND REMARK 400 ENDOHYDROLYSIS OF 1,4-BETA-D-XYLOSIDIC LINKAGES IN XYLANS. REMARK 400 BELONGS TO CELLULASE FAMILY G (FAMILY 11 OF GLYCOSYL REMARK 400 HYDROLASES). 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 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 GLU C 568 161.58 -40.22 REMARK 500 SER C 583 46.92 -85.43 REMARK 500 VAL C 587 32.52 -160.03 REMARK 500 LEU C 592 -167.93 -65.02 REMARK 500 ALA C 604 168.23 162.94 REMARK 500 SER C 609 22.83 -156.93 REMARK 500 SER C 633 -148.57 -88.42 REMARK 500 SER C 634 -112.93 -171.50 REMARK 500 CYS C 641 69.62 -160.38 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG C 566 0.22 SIDE CHAIN REMARK 500 ARG C 573 0.14 SIDE CHAIN REMARK 500 ARG C 616 0.31 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1HEJ RELATED DB: PDB REMARK 900 C-TERMINAL XYLAN BINDING DOMAIN FROM CELLULOMONAS FIMI REMARK 900 XYLANASE 11A (5 STRUCTURES) REMARK 900 RELATED ID: 1E5B RELATED DB: PDB REMARK 900 INTERNAL XYLAN BINDING DOMAIN FROM C. FIMI XYN10A, R262G REMARK 900 MUTANT REMARK 900 RELATED ID: 1E5C RELATED DB: PDB REMARK 900 INTERNAL XYLAN BINDING DOMAIN FROM C. FIMI XYN10A, R262G REMARK 900 MUTANT REMARK 900 RELATED ID: 1XBD RELATED DB: PDB REMARK 900 INTERNAL XYLAN BINDING DOMAIN FROM CELLULOMONAS FIMI REMARK 900 XYLANASE D, NMR, 5 STRUCTURES REMARK 900 RELATED ID: 2XBD RELATED DB: PDB REMARK 900 INTERNAL XYLAN BINDING DOMAIN FROM CELLULOMONAS FIMI REMARK 900 XYLANASE D, NMR, MINIMIZED AVERAGE STRUCTURE DBREF 1HEH C 557 644 UNP P54865 XYND_CELFI 557 644 SEQRES 1 C 88 THR GLY SER CYS SER VAL SER ALA VAL ARG GLY GLU GLU SEQRES 2 C 88 TRP ALA ASP ARG PHE ASN VAL THR TYR SER VAL SER GLY SEQRES 3 C 88 SER SER SER TRP VAL VAL THR LEU GLY LEU ASN GLY GLY SEQRES 4 C 88 GLN SER VAL GLN SER SER TRP ASN ALA ALA LEU THR GLY SEQRES 5 C 88 SER SER GLY THR VAL THR ALA ARG PRO ASN GLY SER GLY SEQRES 6 C 88 ASN SER PHE GLY VAL THR PHE TYR LYS ASN GLY SER SER SEQRES 7 C 88 ALA THR PRO GLY ALA THR CYS ALA THR GLY SHEET 1 A 4 VAL C 562 GLU C 568 0 SHEET 2 A 4 ARG C 573 SER C 581 -1 N SER C 579 O SER C 563 SHEET 3 A 4 SER C 623 TYR C 629 -1 O PHE C 624 N TYR C 578 SHEET 4 A 4 VAL C 598 TRP C 602 -1 O TRP C 602 N GLY C 625 SHEET 1 B 4 GLY C 638 ALA C 642 0 SHEET 2 B 4 VAL C 587 LEU C 592 -1 N THR C 589 O THR C 640 SHEET 3 B 4 VAL C 613 ARG C 616 -1 O VAL C 613 N LEU C 590 SHEET 4 B 4 ALA C 605 GLY C 608 -1 O ALA C 605 N ARG C 616 SSBOND *** CYS C 560 CYS C 641 1555 1555 2.02 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 575 ASN : amide:sc= -3.29! C(o=-4!,f=-4.2!) USER MOD Set 1.2: C 599 GLN : amide:sc= -0.736 K(o=-4,f=-8.1!) USER MOD Set 1.3: C 600 SER OG : rot 180:sc=-0.00558 USER MOD Set 1.4: C 627 THR OG1 : rot 137:sc= 0.0156 USER MOD Set 2.1: C 593 ASN : amide:sc= -1.49 K(o=-5.3,f=-4.3) USER MOD Set 2.2: C 596 GLN : amide:sc= -1.61 K(o=-5.3,f=-8.1!) USER MOD Set 2.3: C 633 SER OG : rot 140:sc= -2.2! USER MOD Set 3.1: C 559 SER OG : rot 180:sc= -2.71! USER MOD Set 3.2: C 643 THR OG1 : rot 28:sc= 1.01 USER MOD Single : C 557 THR OG1 : rot 47:sc= 0.443 USER MOD Single : C 561 SER OG : rot 180:sc= 0 USER MOD Single : C 563 SER OG : rot -22:sc= 0.527 USER MOD Single : C 577 THR OG1 : rot 180:sc= 0 USER MOD Single : C 578 TYR OH : rot 10:sc= 0.165 USER MOD Single : C 579 SER OG : rot 180:sc= 0 USER MOD Single : C 581 SER OG : rot 180:sc= 0 USER MOD Single : C 583 SER OG : rot -164:sc= -0.159 USER MOD Single : C 584 SER OG : rot 180:sc= 0 USER MOD Single : C 585 SER OG : rot 180:sc= 0 USER MOD Single : C 589 THR OG1 : rot 180:sc= 0 USER MOD Single : C 597 SER OG : rot -47:sc= 0.529 USER MOD Single : C 601 SER OG : rot 60:sc= -6.44! USER MOD Single : C 603 ASN : amide:sc= -0.756 K(o=-0.76,f=-0.21) USER MOD Single : C 607 THR OG1 : rot 180:sc= 0 USER MOD Single : C 609 SER OG : rot 180:sc= -0.572 USER MOD Single : C 610 SER OG : rot 180:sc= -0.639 USER MOD Single : C 612 THR OG1 : rot 180:sc= 0 USER MOD Single : C 614 THR OG1 : rot 180:sc= 0 USER MOD Single : C 618 ASN : amide:sc= -1.43! C(o=-1.4!,f=-6.9!) USER MOD Single : C 620 SER OG : rot 69:sc= 1.04 USER MOD Single : C 622 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 623 SER OG : rot 180:sc= 0 USER MOD Single : C 629 TYR OH : rot 30:sc= -1.39! USER MOD Single : C 630 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.317) USER MOD Single : C 631 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : C 634 SER OG : rot 6:sc= 0.52 USER MOD Single : C 636 THR OG1 : rot 180:sc= 0.156 USER MOD Single : C 640 THR OG1 : rot 104:sc= 0.664 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 557 14.849 17.566 1.778 1.00 6.24 N ATOM 2 CA THR C 557 13.988 18.042 2.897 1.00 5.86 C ATOM 3 C THR C 557 12.544 18.169 2.411 1.00 5.10 C ATOM 4 O THR C 557 12.179 19.131 1.764 1.00 5.17 O ATOM 5 CB THR C 557 14.486 19.406 3.379 1.00 6.45 C ATOM 6 OG1 THR C 557 14.685 20.258 2.260 1.00 6.91 O ATOM 7 CG2 THR C 557 15.805 19.233 4.133 1.00 6.85 C ATOM 0 HA THR C 557 14.033 17.328 3.719 1.00 5.86 H new ATOM 0 HB THR C 557 13.746 19.849 4.046 1.00 6.45 H new ATOM 0 HG1 THR C 557 13.903 20.212 1.671 1.00 6.91 H new ATOM 0 HG21 THR C 557 16.158 20.205 4.476 1.00 6.85 H new ATOM 0 HG22 THR C 557 15.650 18.580 4.992 1.00 6.85 H new ATOM 0 HG23 THR C 557 16.548 18.790 3.470 1.00 6.85 H new ATOM 17 N GLY C 558 11.718 17.207 2.717 1.00 4.71 N ATOM 18 CA GLY C 558 10.298 17.274 2.272 1.00 4.32 C ATOM 19 C GLY C 558 9.749 15.859 2.084 1.00 3.80 C ATOM 20 O GLY C 558 8.969 15.599 1.190 1.00 4.16 O ATOM 0 H GLY C 558 11.965 16.377 3.256 1.00 4.71 H new ATOM 0 HA2 GLY C 558 9.701 17.811 3.009 1.00 4.32 H new ATOM 0 HA3 GLY C 558 10.226 17.830 1.337 1.00 4.32 H new ATOM 24 N SER C 559 10.148 14.940 2.921 1.00 3.29 N ATOM 25 CA SER C 559 9.645 13.544 2.788 1.00 2.87 C ATOM 26 C SER C 559 8.120 13.545 2.903 1.00 2.44 C ATOM 27 O SER C 559 7.530 14.462 3.439 1.00 2.51 O ATOM 28 CB SER C 559 10.239 12.680 3.900 1.00 3.06 C ATOM 29 OG SER C 559 11.399 13.316 4.421 1.00 3.49 O ATOM 0 H SER C 559 10.800 15.096 3.690 1.00 3.29 H new ATOM 0 HA SER C 559 9.939 13.140 1.819 1.00 2.87 H new ATOM 0 HB2 SER C 559 9.505 12.531 4.692 1.00 3.06 H new ATOM 0 HB3 SER C 559 10.494 11.694 3.513 1.00 3.06 H new ATOM 0 HG SER C 559 11.781 12.765 5.136 1.00 3.49 H new ATOM 35 N CYS C 560 7.474 12.527 2.404 1.00 2.15 N ATOM 36 CA CYS C 560 5.988 12.480 2.491 1.00 1.75 C ATOM 37 C CYS C 560 5.579 11.889 3.842 1.00 1.55 C ATOM 38 O CYS C 560 6.340 11.191 4.482 1.00 1.83 O ATOM 39 CB CYS C 560 5.436 11.630 1.333 1.00 1.85 C ATOM 40 SG CYS C 560 4.518 10.198 1.961 1.00 2.35 S ATOM 0 H CYS C 560 7.909 11.729 1.942 1.00 2.15 H new ATOM 0 HA CYS C 560 5.576 13.486 2.411 1.00 1.75 H new ATOM 0 HB2 CYS C 560 4.783 12.240 0.708 1.00 1.85 H new ATOM 0 HB3 CYS C 560 6.257 11.292 0.701 1.00 1.85 H new ATOM 45 N SER C 561 4.383 12.167 4.281 1.00 1.20 N ATOM 46 CA SER C 561 3.925 11.623 5.591 1.00 1.13 C ATOM 47 C SER C 561 3.077 10.375 5.348 1.00 0.90 C ATOM 48 O SER C 561 2.197 10.367 4.511 1.00 1.27 O ATOM 49 CB SER C 561 3.088 12.677 6.317 1.00 1.12 C ATOM 50 OG SER C 561 3.814 13.898 6.371 1.00 1.72 O ATOM 0 H SER C 561 3.703 12.747 3.790 1.00 1.20 H new ATOM 0 HA SER C 561 4.789 11.365 6.203 1.00 1.13 H new ATOM 0 HB2 SER C 561 2.141 12.826 5.798 1.00 1.12 H new ATOM 0 HB3 SER C 561 2.849 12.338 7.325 1.00 1.12 H new ATOM 0 HG SER C 561 3.279 14.576 6.834 1.00 1.72 H new ATOM 56 N VAL C 562 3.338 9.317 6.066 1.00 0.55 N ATOM 57 CA VAL C 562 2.545 8.074 5.858 1.00 0.51 C ATOM 58 C VAL C 562 2.371 7.332 7.184 1.00 0.60 C ATOM 59 O VAL C 562 2.949 7.685 8.193 1.00 1.13 O ATOM 60 CB VAL C 562 3.277 7.170 4.865 1.00 0.74 C ATOM 61 CG1 VAL C 562 3.806 8.012 3.705 1.00 1.34 C ATOM 62 CG2 VAL C 562 4.448 6.480 5.568 1.00 1.41 C ATOM 0 H VAL C 562 4.061 9.260 6.783 1.00 0.55 H new ATOM 0 HA VAL C 562 1.563 8.338 5.467 1.00 0.51 H new ATOM 0 HB VAL C 562 2.587 6.417 4.484 1.00 0.74 H new ATOM 0 HG11 VAL C 562 4.328 7.369 2.997 1.00 1.34 H new ATOM 0 HG12 VAL C 562 2.973 8.504 3.203 1.00 1.34 H new ATOM 0 HG13 VAL C 562 4.495 8.765 4.087 1.00 1.34 H new ATOM 0 HG21 VAL C 562 4.969 5.836 4.860 1.00 1.41 H new ATOM 0 HG22 VAL C 562 5.138 7.233 5.950 1.00 1.41 H new ATOM 0 HG23 VAL C 562 4.072 5.879 6.396 1.00 1.41 H new ATOM 72 N SER C 563 1.577 6.297 7.178 1.00 0.49 N ATOM 73 CA SER C 563 1.352 5.508 8.421 1.00 0.60 C ATOM 74 C SER C 563 0.816 4.128 8.036 1.00 0.53 C ATOM 75 O SER C 563 -0.014 4.002 7.159 1.00 0.69 O ATOM 76 CB SER C 563 0.332 6.226 9.305 1.00 0.92 C ATOM 77 OG SER C 563 0.776 7.554 9.550 1.00 1.44 O ATOM 0 H SER C 563 1.071 5.962 6.358 1.00 0.49 H new ATOM 0 HA SER C 563 2.288 5.403 8.970 1.00 0.60 H new ATOM 0 HB2 SER C 563 -0.643 6.240 8.818 1.00 0.92 H new ATOM 0 HB3 SER C 563 0.210 5.691 10.247 1.00 0.92 H new ATOM 0 HG SER C 563 1.745 7.605 9.416 1.00 1.44 H new ATOM 83 N ALA C 564 1.283 3.090 8.672 1.00 0.56 N ATOM 84 CA ALA C 564 0.791 1.728 8.320 1.00 0.61 C ATOM 85 C ALA C 564 0.005 1.138 9.492 1.00 0.59 C ATOM 86 O ALA C 564 0.463 1.122 10.618 1.00 0.78 O ATOM 87 CB ALA C 564 1.980 0.821 7.993 1.00 0.83 C ATOM 0 H ALA C 564 1.980 3.124 9.416 1.00 0.56 H new ATOM 0 HA ALA C 564 0.137 1.799 7.451 1.00 0.61 H new ATOM 0 HB1 ALA C 564 1.618 -0.175 7.736 1.00 0.83 H new ATOM 0 HB2 ALA C 564 2.533 1.235 7.150 1.00 0.83 H new ATOM 0 HB3 ALA C 564 2.637 0.755 8.860 1.00 0.83 H new ATOM 93 N VAL C 565 -1.176 0.648 9.231 1.00 0.53 N ATOM 94 CA VAL C 565 -2.000 0.050 10.320 1.00 0.56 C ATOM 95 C VAL C 565 -2.458 -1.341 9.891 1.00 0.48 C ATOM 96 O VAL C 565 -2.516 -1.643 8.717 1.00 0.43 O ATOM 97 CB VAL C 565 -3.231 0.919 10.565 1.00 0.62 C ATOM 98 CG1 VAL C 565 -3.731 0.708 11.995 1.00 0.76 C ATOM 99 CG2 VAL C 565 -2.860 2.388 10.365 1.00 0.67 C ATOM 0 H VAL C 565 -1.607 0.636 8.307 1.00 0.53 H new ATOM 0 HA VAL C 565 -1.407 -0.013 11.232 1.00 0.56 H new ATOM 0 HB VAL C 565 -4.018 0.642 9.864 1.00 0.62 H new ATOM 0 HG11 VAL C 565 -4.610 1.329 12.169 1.00 0.76 H new ATOM 0 HG12 VAL C 565 -3.993 -0.340 12.138 1.00 0.76 H new ATOM 0 HG13 VAL C 565 -2.946 0.985 12.699 1.00 0.76 H new ATOM 0 HG21 VAL C 565 -3.737 3.012 10.539 1.00 0.67 H new ATOM 0 HG22 VAL C 565 -2.073 2.664 11.067 1.00 0.67 H new ATOM 0 HG23 VAL C 565 -2.505 2.538 9.345 1.00 0.67 H new ATOM 109 N ARG C 566 -2.797 -2.186 10.827 1.00 0.51 N ATOM 110 CA ARG C 566 -3.265 -3.551 10.458 1.00 0.48 C ATOM 111 C ARG C 566 -4.698 -3.458 9.939 1.00 0.46 C ATOM 112 O ARG C 566 -5.613 -4.044 10.482 1.00 0.66 O ATOM 113 CB ARG C 566 -3.217 -4.463 11.686 1.00 0.54 C ATOM 114 CG ARG C 566 -2.001 -4.102 12.541 1.00 1.18 C ATOM 115 CD ARG C 566 -1.255 -5.379 12.933 1.00 1.80 C ATOM 116 NE ARG C 566 -1.674 -5.798 14.300 1.00 2.30 N ATOM 117 CZ ARG C 566 -0.783 -5.927 15.245 1.00 2.86 C ATOM 118 NH1 ARG C 566 0.139 -5.017 15.401 1.00 3.35 N ATOM 119 NH2 ARG C 566 -0.813 -6.966 16.034 1.00 3.46 N ATOM 0 H ARG C 566 -2.770 -1.990 11.828 1.00 0.51 H new ATOM 0 HA ARG C 566 -2.619 -3.966 9.684 1.00 0.48 H new ATOM 0 HB2 ARG C 566 -4.131 -4.353 12.270 1.00 0.54 H new ATOM 0 HB3 ARG C 566 -3.160 -5.506 11.376 1.00 0.54 H new ATOM 0 HG2 ARG C 566 -1.339 -3.437 11.987 1.00 1.18 H new ATOM 0 HG3 ARG C 566 -2.318 -3.565 13.435 1.00 1.18 H new ATOM 0 HD2 ARG C 566 -1.468 -6.172 12.216 1.00 1.80 H new ATOM 0 HD3 ARG C 566 -0.179 -5.207 12.907 1.00 1.80 H new ATOM 0 HE ARG C 566 -2.657 -5.984 14.497 1.00 2.30 H new ATOM 0 HH11 ARG C 566 0.163 -4.205 14.784 1.00 3.35 H new ATOM 0 HH12 ARG C 566 0.835 -5.118 16.140 1.00 3.35 H new ATOM 0 HH21 ARG C 566 -1.533 -7.678 15.912 1.00 3.46 H new ATOM 0 HH22 ARG C 566 -0.116 -7.066 16.772 1.00 3.46 H new ATOM 133 N GLY C 567 -4.887 -2.715 8.888 1.00 0.41 N ATOM 134 CA GLY C 567 -6.245 -2.553 8.302 1.00 0.42 C ATOM 135 C GLY C 567 -6.926 -3.919 8.193 1.00 0.44 C ATOM 136 O GLY C 567 -6.341 -4.941 8.492 1.00 0.66 O ATOM 0 H GLY C 567 -4.148 -2.206 8.403 1.00 0.41 H new ATOM 0 HA2 GLY C 567 -6.843 -1.886 8.924 1.00 0.42 H new ATOM 0 HA3 GLY C 567 -6.174 -2.092 7.317 1.00 0.42 H new ATOM 140 N GLU C 568 -8.162 -3.944 7.772 1.00 0.54 N ATOM 141 CA GLU C 568 -8.887 -5.241 7.647 1.00 0.64 C ATOM 142 C GLU C 568 -7.946 -6.309 7.084 1.00 0.58 C ATOM 143 O GLU C 568 -6.922 -6.005 6.506 1.00 0.58 O ATOM 144 CB GLU C 568 -10.082 -5.069 6.706 1.00 0.84 C ATOM 145 CG GLU C 568 -11.290 -4.568 7.501 1.00 1.00 C ATOM 146 CD GLU C 568 -12.576 -4.930 6.756 1.00 1.37 C ATOM 147 OE1 GLU C 568 -12.490 -5.235 5.578 1.00 1.93 O ATOM 148 OE2 GLU C 568 -13.626 -4.897 7.377 1.00 1.97 O ATOM 0 H GLU C 568 -8.702 -3.120 7.509 1.00 0.54 H new ATOM 0 HA GLU C 568 -9.238 -5.552 8.631 1.00 0.64 H new ATOM 0 HB2 GLU C 568 -9.836 -4.362 5.914 1.00 0.84 H new ATOM 0 HB3 GLU C 568 -10.318 -6.018 6.224 1.00 0.84 H new ATOM 0 HG2 GLU C 568 -11.295 -5.014 8.495 1.00 1.00 H new ATOM 0 HG3 GLU C 568 -11.227 -3.488 7.637 1.00 1.00 H new ATOM 155 N GLU C 569 -8.285 -7.558 7.250 1.00 0.77 N ATOM 156 CA GLU C 569 -7.410 -8.644 6.725 1.00 0.85 C ATOM 157 C GLU C 569 -8.220 -9.936 6.597 1.00 1.17 C ATOM 158 O GLU C 569 -9.421 -9.948 6.781 1.00 1.71 O ATOM 159 CB GLU C 569 -6.242 -8.868 7.687 1.00 0.99 C ATOM 160 CG GLU C 569 -6.764 -8.900 9.125 1.00 1.48 C ATOM 161 CD GLU C 569 -5.596 -9.115 10.089 1.00 1.92 C ATOM 162 OE1 GLU C 569 -5.188 -10.253 10.249 1.00 2.49 O ATOM 163 OE2 GLU C 569 -5.130 -8.138 10.651 1.00 2.36 O ATOM 0 H GLU C 569 -9.130 -7.873 7.726 1.00 0.77 H new ATOM 0 HA GLU C 569 -7.025 -8.358 5.746 1.00 0.85 H new ATOM 0 HB2 GLU C 569 -5.737 -9.805 7.451 1.00 0.99 H new ATOM 0 HB3 GLU C 569 -5.506 -8.072 7.574 1.00 0.99 H new ATOM 0 HG2 GLU C 569 -7.274 -7.966 9.358 1.00 1.48 H new ATOM 0 HG3 GLU C 569 -7.496 -9.700 9.240 1.00 1.48 H new ATOM 170 N TRP C 570 -7.572 -11.026 6.287 1.00 0.95 N ATOM 171 CA TRP C 570 -8.304 -12.317 6.151 1.00 1.25 C ATOM 172 C TRP C 570 -7.364 -13.473 6.502 1.00 1.42 C ATOM 173 O TRP C 570 -6.293 -13.273 7.039 1.00 1.89 O ATOM 174 CB TRP C 570 -8.797 -12.479 4.712 1.00 1.16 C ATOM 175 CG TRP C 570 -9.615 -11.288 4.327 1.00 1.18 C ATOM 176 CD1 TRP C 570 -10.936 -11.140 4.577 1.00 1.44 C ATOM 177 CD2 TRP C 570 -9.191 -10.080 3.632 1.00 1.00 C ATOM 178 NE1 TRP C 570 -11.350 -9.917 4.079 1.00 1.45 N ATOM 179 CE2 TRP C 570 -10.311 -9.227 3.487 1.00 1.20 C ATOM 180 CE3 TRP C 570 -7.956 -9.646 3.118 1.00 0.76 C ATOM 181 CZ2 TRP C 570 -10.209 -7.987 2.855 1.00 1.19 C ATOM 182 CZ3 TRP C 570 -7.850 -8.398 2.481 1.00 0.77 C ATOM 183 CH2 TRP C 570 -8.974 -7.571 2.350 1.00 1.00 C ATOM 0 H TRP C 570 -6.567 -11.078 6.122 1.00 0.95 H new ATOM 0 HA TRP C 570 -9.158 -12.323 6.828 1.00 1.25 H new ATOM 0 HB2 TRP C 570 -7.949 -12.585 4.036 1.00 1.16 H new ATOM 0 HB3 TRP C 570 -9.393 -13.387 4.621 1.00 1.16 H new ATOM 0 HD1 TRP C 570 -11.565 -11.858 5.082 1.00 1.44 H new ATOM 0 HE1 TRP C 570 -12.306 -9.568 4.142 1.00 1.45 H new ATOM 0 HE3 TRP C 570 -7.084 -10.276 3.213 1.00 0.76 H new ATOM 0 HZ2 TRP C 570 -11.078 -7.353 2.757 1.00 1.19 H new ATOM 0 HZ3 TRP C 570 -6.897 -8.074 2.090 1.00 0.77 H new ATOM 0 HH2 TRP C 570 -8.886 -6.613 1.859 1.00 1.00 H new ATOM 194 N ALA C 571 -7.757 -14.682 6.205 1.00 1.44 N ATOM 195 CA ALA C 571 -6.884 -15.847 6.524 1.00 1.57 C ATOM 196 C ALA C 571 -5.972 -16.143 5.333 1.00 1.22 C ATOM 197 O ALA C 571 -4.786 -16.359 5.486 1.00 1.30 O ATOM 198 CB ALA C 571 -7.755 -17.070 6.817 1.00 1.98 C ATOM 0 H ALA C 571 -8.643 -14.913 5.756 1.00 1.44 H new ATOM 0 HA ALA C 571 -6.275 -15.617 7.398 1.00 1.57 H new ATOM 0 HB1 ALA C 571 -7.118 -17.923 7.050 1.00 1.98 H new ATOM 0 HB2 ALA C 571 -8.405 -16.859 7.666 1.00 1.98 H new ATOM 0 HB3 ALA C 571 -8.364 -17.301 5.943 1.00 1.98 H new ATOM 204 N ASP C 572 -6.515 -16.157 4.146 1.00 1.03 N ATOM 205 CA ASP C 572 -5.677 -16.441 2.947 1.00 0.83 C ATOM 206 C ASP C 572 -4.968 -15.159 2.505 1.00 0.64 C ATOM 207 O ASP C 572 -3.925 -15.199 1.882 1.00 0.82 O ATOM 208 CB ASP C 572 -6.567 -16.950 1.811 1.00 0.96 C ATOM 209 CG ASP C 572 -7.194 -18.286 2.214 1.00 1.42 C ATOM 210 OD1 ASP C 572 -7.849 -18.324 3.242 1.00 2.16 O ATOM 211 OD2 ASP C 572 -7.009 -19.248 1.487 1.00 1.91 O ATOM 0 H ASP C 572 -7.502 -15.984 3.955 1.00 1.03 H new ATOM 0 HA ASP C 572 -4.935 -17.200 3.194 1.00 0.83 H new ATOM 0 HB2 ASP C 572 -7.347 -16.221 1.592 1.00 0.96 H new ATOM 0 HB3 ASP C 572 -5.980 -17.072 0.901 1.00 0.96 H new ATOM 216 N ARG C 573 -5.524 -14.022 2.822 1.00 0.54 N ATOM 217 CA ARG C 573 -4.880 -12.739 2.419 1.00 0.50 C ATOM 218 C ARG C 573 -5.103 -11.692 3.512 1.00 0.49 C ATOM 219 O ARG C 573 -6.042 -11.773 4.279 1.00 0.78 O ATOM 220 CB ARG C 573 -5.489 -12.240 1.104 1.00 0.71 C ATOM 221 CG ARG C 573 -6.577 -13.209 0.633 1.00 0.69 C ATOM 222 CD ARG C 573 -7.417 -12.542 -0.458 1.00 0.75 C ATOM 223 NE ARG C 573 -8.838 -12.469 -0.014 1.00 1.00 N ATOM 224 CZ ARG C 573 -9.788 -12.300 -0.893 1.00 1.25 C ATOM 225 NH1 ARG C 573 -9.537 -11.683 -2.015 1.00 2.01 N ATOM 226 NH2 ARG C 573 -10.989 -12.749 -0.649 1.00 1.81 N ATOM 0 H ARG C 573 -6.396 -13.925 3.342 1.00 0.54 H new ATOM 0 HA ARG C 573 -3.811 -12.903 2.280 1.00 0.50 H new ATOM 0 HB2 ARG C 573 -5.912 -11.245 1.243 1.00 0.71 H new ATOM 0 HB3 ARG C 573 -4.713 -12.153 0.344 1.00 0.71 H new ATOM 0 HG2 ARG C 573 -6.124 -14.123 0.250 1.00 0.69 H new ATOM 0 HG3 ARG C 573 -7.212 -13.495 1.472 1.00 0.69 H new ATOM 0 HD2 ARG C 573 -7.037 -11.541 -0.664 1.00 0.75 H new ATOM 0 HD3 ARG C 573 -7.343 -13.108 -1.386 1.00 0.75 H new ATOM 0 HE ARG C 573 -9.068 -12.551 0.976 1.00 1.00 H new ATOM 0 HH11 ARG C 573 -8.598 -11.333 -2.205 1.00 2.01 H new ATOM 0 HH12 ARG C 573 -10.280 -11.551 -2.702 1.00 2.01 H new ATOM 0 HH21 ARG C 573 -11.185 -13.232 0.228 1.00 1.81 H new ATOM 0 HH22 ARG C 573 -11.732 -12.617 -1.335 1.00 1.81 H new ATOM 240 N PHE C 574 -4.249 -10.709 3.589 1.00 0.63 N ATOM 241 CA PHE C 574 -4.415 -9.658 4.632 1.00 0.67 C ATOM 242 C PHE C 574 -4.475 -8.284 3.963 1.00 0.57 C ATOM 243 O PHE C 574 -4.024 -8.105 2.849 1.00 0.84 O ATOM 244 CB PHE C 574 -3.230 -9.706 5.599 1.00 1.15 C ATOM 245 CG PHE C 574 -1.965 -9.329 4.866 1.00 0.48 C ATOM 246 CD1 PHE C 574 -1.579 -7.986 4.781 1.00 1.17 C ATOM 247 CD2 PHE C 574 -1.179 -10.323 4.271 1.00 1.33 C ATOM 248 CE1 PHE C 574 -0.406 -7.637 4.102 1.00 1.47 C ATOM 249 CE2 PHE C 574 -0.005 -9.973 3.591 1.00 1.52 C ATOM 250 CZ PHE C 574 0.381 -8.631 3.507 1.00 1.26 C ATOM 0 H PHE C 574 -3.444 -10.588 2.975 1.00 0.63 H new ATOM 0 HA PHE C 574 -5.339 -9.834 5.183 1.00 0.67 H new ATOM 0 HB2 PHE C 574 -3.398 -9.022 6.431 1.00 1.15 H new ATOM 0 HB3 PHE C 574 -3.133 -10.706 6.023 1.00 1.15 H new ATOM 0 HD1 PHE C 574 -2.186 -7.219 5.239 1.00 1.17 H new ATOM 0 HD2 PHE C 574 -1.477 -11.359 4.336 1.00 1.33 H new ATOM 0 HE1 PHE C 574 -0.108 -6.601 4.037 1.00 1.47 H new ATOM 0 HE2 PHE C 574 0.602 -10.739 3.132 1.00 1.52 H new ATOM 0 HZ PHE C 574 1.286 -8.361 2.983 1.00 1.26 H new ATOM 260 N ASN C 575 -5.030 -7.310 4.632 1.00 0.48 N ATOM 261 CA ASN C 575 -5.118 -5.950 4.030 1.00 0.46 C ATOM 262 C ASN C 575 -4.498 -4.930 4.983 1.00 0.51 C ATOM 263 O ASN C 575 -4.139 -5.244 6.101 1.00 0.98 O ATOM 264 CB ASN C 575 -6.585 -5.588 3.795 1.00 0.42 C ATOM 265 CG ASN C 575 -6.696 -4.661 2.582 1.00 0.66 C ATOM 266 OD1 ASN C 575 -6.555 -3.461 2.706 1.00 1.02 O ATOM 267 ND2 ASN C 575 -6.944 -5.171 1.406 1.00 1.25 N ATOM 0 H ASN C 575 -5.426 -7.397 5.568 1.00 0.48 H new ATOM 0 HA ASN C 575 -4.582 -5.941 3.081 1.00 0.46 H new ATOM 0 HB2 ASN C 575 -7.171 -6.492 3.630 1.00 0.42 H new ATOM 0 HB3 ASN C 575 -6.996 -5.099 4.678 1.00 0.42 H new ATOM 0 HD21 ASN C 575 -7.019 -4.562 0.591 1.00 1.25 H new ATOM 0 HD22 ASN C 575 -7.062 -6.179 1.302 1.00 1.25 H new ATOM 274 N VAL C 576 -4.373 -3.708 4.549 1.00 0.32 N ATOM 275 CA VAL C 576 -3.782 -2.661 5.427 1.00 0.31 C ATOM 276 C VAL C 576 -4.397 -1.306 5.084 1.00 0.31 C ATOM 277 O VAL C 576 -4.877 -1.086 3.989 1.00 0.33 O ATOM 278 CB VAL C 576 -2.271 -2.596 5.207 1.00 0.37 C ATOM 279 CG1 VAL C 576 -1.595 -1.975 6.429 1.00 0.41 C ATOM 280 CG2 VAL C 576 -1.725 -4.008 4.993 1.00 0.41 C ATOM 0 H VAL C 576 -4.655 -3.388 3.622 1.00 0.32 H new ATOM 0 HA VAL C 576 -3.987 -2.907 6.469 1.00 0.31 H new ATOM 0 HB VAL C 576 -2.064 -1.984 4.329 1.00 0.37 H new ATOM 0 HG11 VAL C 576 -0.518 -1.931 6.266 1.00 0.41 H new ATOM 0 HG12 VAL C 576 -1.980 -0.967 6.585 1.00 0.41 H new ATOM 0 HG13 VAL C 576 -1.805 -2.583 7.309 1.00 0.41 H new ATOM 0 HG21 VAL C 576 -0.647 -3.961 4.836 1.00 0.41 H new ATOM 0 HG22 VAL C 576 -1.938 -4.617 5.871 1.00 0.41 H new ATOM 0 HG23 VAL C 576 -2.200 -4.453 4.119 1.00 0.41 H new ATOM 290 N THR C 577 -4.378 -0.398 6.013 1.00 0.33 N ATOM 291 CA THR C 577 -4.952 0.953 5.757 1.00 0.34 C ATOM 292 C THR C 577 -3.876 2.010 6.013 1.00 0.34 C ATOM 293 O THR C 577 -3.675 2.448 7.128 1.00 0.42 O ATOM 294 CB THR C 577 -6.137 1.192 6.696 1.00 0.38 C ATOM 295 OG1 THR C 577 -7.189 0.296 6.366 1.00 0.45 O ATOM 296 CG2 THR C 577 -6.626 2.633 6.549 1.00 0.47 C ATOM 0 H THR C 577 -3.988 -0.531 6.946 1.00 0.33 H new ATOM 0 HA THR C 577 -5.293 1.018 4.724 1.00 0.34 H new ATOM 0 HB THR C 577 -5.824 1.022 7.726 1.00 0.38 H new ATOM 0 HG1 THR C 577 -7.948 0.447 6.968 1.00 0.45 H new ATOM 0 HG21 THR C 577 -7.470 2.801 7.218 1.00 0.47 H new ATOM 0 HG22 THR C 577 -5.818 3.319 6.804 1.00 0.47 H new ATOM 0 HG23 THR C 577 -6.939 2.808 5.520 1.00 0.47 H new ATOM 304 N TYR C 578 -3.177 2.420 4.989 1.00 0.35 N ATOM 305 CA TYR C 578 -2.110 3.443 5.179 1.00 0.37 C ATOM 306 C TYR C 578 -2.739 4.835 5.259 1.00 0.34 C ATOM 307 O TYR C 578 -3.732 5.118 4.618 1.00 0.45 O ATOM 308 CB TYR C 578 -1.135 3.390 4.001 1.00 0.46 C ATOM 309 CG TYR C 578 -0.505 2.020 3.928 1.00 0.46 C ATOM 310 CD1 TYR C 578 0.443 1.632 4.883 1.00 1.25 C ATOM 311 CD2 TYR C 578 -0.869 1.137 2.904 1.00 1.33 C ATOM 312 CE1 TYR C 578 1.026 0.361 4.813 1.00 1.28 C ATOM 313 CE2 TYR C 578 -0.285 -0.133 2.834 1.00 1.36 C ATOM 314 CZ TYR C 578 0.663 -0.521 3.789 1.00 0.59 C ATOM 315 OH TYR C 578 1.238 -1.773 3.720 1.00 0.68 O ATOM 0 H TYR C 578 -3.299 2.091 4.031 1.00 0.35 H new ATOM 0 HA TYR C 578 -1.573 3.236 6.105 1.00 0.37 H new ATOM 0 HB2 TYR C 578 -1.659 3.610 3.071 1.00 0.46 H new ATOM 0 HB3 TYR C 578 -0.363 4.151 4.120 1.00 0.46 H new ATOM 0 HD1 TYR C 578 0.724 2.313 5.673 1.00 1.25 H new ATOM 0 HD2 TYR C 578 -1.601 1.436 2.168 1.00 1.33 H new ATOM 0 HE1 TYR C 578 1.756 0.061 5.550 1.00 1.28 H new ATOM 0 HE2 TYR C 578 -0.565 -0.814 2.044 1.00 1.36 H new ATOM 0 HH TYR C 578 1.750 -1.943 4.538 1.00 0.68 H new ATOM 325 N SER C 579 -2.167 5.709 6.044 1.00 0.39 N ATOM 326 CA SER C 579 -2.729 7.083 6.168 1.00 0.43 C ATOM 327 C SER C 579 -1.653 8.111 5.812 1.00 0.37 C ATOM 328 O SER C 579 -0.493 7.951 6.141 1.00 0.46 O ATOM 329 CB SER C 579 -3.199 7.314 7.604 1.00 0.57 C ATOM 330 OG SER C 579 -4.252 6.408 7.906 1.00 0.77 O ATOM 0 H SER C 579 -1.334 5.529 6.605 1.00 0.39 H new ATOM 0 HA SER C 579 -3.573 7.192 5.487 1.00 0.43 H new ATOM 0 HB2 SER C 579 -2.370 7.170 8.297 1.00 0.57 H new ATOM 0 HB3 SER C 579 -3.542 8.341 7.726 1.00 0.57 H new ATOM 0 HG SER C 579 -4.554 6.553 8.827 1.00 0.77 H new ATOM 336 N VAL C 580 -2.029 9.163 5.138 1.00 0.51 N ATOM 337 CA VAL C 580 -1.036 10.205 4.754 1.00 0.48 C ATOM 338 C VAL C 580 -1.416 11.534 5.408 1.00 0.52 C ATOM 339 O VAL C 580 -2.564 11.775 5.725 1.00 0.70 O ATOM 340 CB VAL C 580 -1.037 10.352 3.231 1.00 0.65 C ATOM 341 CG1 VAL C 580 -0.372 11.666 2.821 1.00 0.61 C ATOM 342 CG2 VAL C 580 -0.263 9.188 2.621 1.00 0.84 C ATOM 0 H VAL C 580 -2.986 9.346 4.836 1.00 0.51 H new ATOM 0 HA VAL C 580 -0.040 9.916 5.091 1.00 0.48 H new ATOM 0 HB VAL C 580 -2.067 10.352 2.874 1.00 0.65 H new ATOM 0 HG11 VAL C 580 -0.381 11.755 1.735 1.00 0.61 H new ATOM 0 HG12 VAL C 580 -0.918 12.502 3.258 1.00 0.61 H new ATOM 0 HG13 VAL C 580 0.658 11.679 3.178 1.00 0.61 H new ATOM 0 HG21 VAL C 580 -0.258 9.284 1.535 1.00 0.84 H new ATOM 0 HG22 VAL C 580 0.762 9.199 2.991 1.00 0.84 H new ATOM 0 HG23 VAL C 580 -0.739 8.248 2.900 1.00 0.84 H new ATOM 352 N SER C 581 -0.462 12.400 5.618 1.00 0.54 N ATOM 353 CA SER C 581 -0.775 13.709 6.257 1.00 0.67 C ATOM 354 C SER C 581 -0.835 14.798 5.186 1.00 0.91 C ATOM 355 O SER C 581 -1.890 15.310 4.865 1.00 1.32 O ATOM 356 CB SER C 581 0.314 14.053 7.274 1.00 1.08 C ATOM 357 OG SER C 581 -0.274 14.192 8.560 1.00 1.80 O ATOM 0 H SER C 581 0.518 12.258 5.375 1.00 0.54 H new ATOM 0 HA SER C 581 -1.738 13.645 6.764 1.00 0.67 H new ATOM 0 HB2 SER C 581 1.073 13.271 7.291 1.00 1.08 H new ATOM 0 HB3 SER C 581 0.816 14.978 6.989 1.00 1.08 H new ATOM 0 HG SER C 581 0.421 14.411 9.215 1.00 1.80 H new ATOM 363 N GLY C 582 0.288 15.157 4.628 1.00 1.33 N ATOM 364 CA GLY C 582 0.293 16.213 3.578 1.00 1.90 C ATOM 365 C GLY C 582 1.161 15.758 2.404 1.00 1.83 C ATOM 366 O GLY C 582 1.961 16.510 1.884 1.00 2.15 O ATOM 0 H GLY C 582 1.202 14.765 4.854 1.00 1.33 H new ATOM 0 HA2 GLY C 582 -0.724 16.408 3.238 1.00 1.90 H new ATOM 0 HA3 GLY C 582 0.677 17.147 3.988 1.00 1.90 H new ATOM 370 N SER C 583 1.010 14.532 1.980 1.00 1.78 N ATOM 371 CA SER C 583 1.829 14.036 0.840 1.00 2.36 C ATOM 372 C SER C 583 1.151 14.410 -0.478 1.00 1.93 C ATOM 373 O SER C 583 1.018 13.595 -1.369 1.00 2.51 O ATOM 374 CB SER C 583 1.964 12.516 0.930 1.00 3.30 C ATOM 375 OG SER C 583 2.535 12.169 2.185 1.00 4.03 O ATOM 0 H SER C 583 0.356 13.855 2.373 1.00 1.78 H new ATOM 0 HA SER C 583 2.819 14.491 0.881 1.00 2.36 H new ATOM 0 HB2 SER C 583 0.987 12.045 0.819 1.00 3.30 H new ATOM 0 HB3 SER C 583 2.590 12.146 0.118 1.00 3.30 H new ATOM 0 HG SER C 583 2.853 11.243 2.155 1.00 4.03 H new ATOM 381 N SER C 584 0.722 15.638 -0.611 1.00 1.57 N ATOM 382 CA SER C 584 0.057 16.060 -1.876 1.00 1.46 C ATOM 383 C SER C 584 0.797 15.439 -3.061 1.00 1.22 C ATOM 384 O SER C 584 0.200 15.047 -4.044 1.00 1.65 O ATOM 385 CB SER C 584 0.096 17.584 -1.991 1.00 1.72 C ATOM 386 OG SER C 584 -1.186 18.111 -1.675 1.00 2.22 O ATOM 0 H SER C 584 0.804 16.364 0.101 1.00 1.57 H new ATOM 0 HA SER C 584 -0.981 15.726 -1.874 1.00 1.46 H new ATOM 0 HB2 SER C 584 0.847 17.992 -1.314 1.00 1.72 H new ATOM 0 HB3 SER C 584 0.384 17.877 -3.001 1.00 1.72 H new ATOM 0 HG SER C 584 -1.165 19.088 -1.746 1.00 2.22 H new ATOM 392 N SER C 585 2.094 15.338 -2.968 1.00 1.08 N ATOM 393 CA SER C 585 2.878 14.733 -4.078 1.00 1.15 C ATOM 394 C SER C 585 3.133 13.259 -3.761 1.00 1.02 C ATOM 395 O SER C 585 4.084 12.914 -3.088 1.00 1.21 O ATOM 396 CB SER C 585 4.214 15.464 -4.219 1.00 1.68 C ATOM 397 OG SER C 585 4.332 15.977 -5.540 1.00 2.37 O ATOM 0 H SER C 585 2.645 15.650 -2.168 1.00 1.08 H new ATOM 0 HA SER C 585 2.322 14.819 -5.011 1.00 1.15 H new ATOM 0 HB2 SER C 585 4.276 16.276 -3.494 1.00 1.68 H new ATOM 0 HB3 SER C 585 5.038 14.783 -4.006 1.00 1.68 H new ATOM 0 HG SER C 585 5.187 16.448 -5.633 1.00 2.37 H new ATOM 403 N TRP C 586 2.286 12.386 -4.233 1.00 0.94 N ATOM 404 CA TRP C 586 2.475 10.936 -3.951 1.00 1.07 C ATOM 405 C TRP C 586 3.696 10.400 -4.697 1.00 0.88 C ATOM 406 O TRP C 586 3.803 10.510 -5.903 1.00 1.04 O ATOM 407 CB TRP C 586 1.234 10.159 -4.389 1.00 1.55 C ATOM 408 CG TRP C 586 0.296 10.022 -3.235 1.00 1.11 C ATOM 409 CD1 TRP C 586 -0.868 10.695 -3.083 1.00 1.03 C ATOM 410 CD2 TRP C 586 0.422 9.158 -2.071 1.00 0.78 C ATOM 411 NE1 TRP C 586 -1.459 10.293 -1.898 1.00 0.75 N ATOM 412 CE2 TRP C 586 -0.705 9.350 -1.244 1.00 0.66 C ATOM 413 CE3 TRP C 586 1.396 8.236 -1.658 1.00 0.73 C ATOM 414 CZ2 TRP C 586 -0.866 8.653 -0.053 1.00 0.76 C ATOM 415 CZ3 TRP C 586 1.240 7.529 -0.454 1.00 0.64 C ATOM 416 CH2 TRP C 586 0.110 7.737 0.346 1.00 0.79 C ATOM 0 H TRP C 586 1.471 12.615 -4.802 1.00 0.94 H new ATOM 0 HA TRP C 586 2.630 10.809 -2.880 1.00 1.07 H new ATOM 0 HB2 TRP C 586 0.741 10.676 -5.212 1.00 1.55 H new ATOM 0 HB3 TRP C 586 1.520 9.174 -4.757 1.00 1.55 H new ATOM 0 HD1 TRP C 586 -1.269 11.424 -3.772 1.00 1.03 H new ATOM 0 HE1 TRP C 586 -2.348 10.654 -1.552 1.00 0.75 H new ATOM 0 HE3 TRP C 586 2.271 8.069 -2.269 1.00 0.73 H new ATOM 0 HZ2 TRP C 586 -1.740 8.818 0.560 1.00 0.76 H new ATOM 0 HZ3 TRP C 586 1.995 6.822 -0.144 1.00 0.64 H new ATOM 0 HH2 TRP C 586 -0.007 7.190 1.270 1.00 0.79 H new ATOM 427 N VAL C 587 4.609 9.808 -3.980 1.00 0.81 N ATOM 428 CA VAL C 587 5.827 9.242 -4.621 1.00 0.72 C ATOM 429 C VAL C 587 6.444 8.211 -3.675 1.00 0.66 C ATOM 430 O VAL C 587 7.645 8.037 -3.626 1.00 0.74 O ATOM 431 CB VAL C 587 6.839 10.356 -4.890 1.00 0.83 C ATOM 432 CG1 VAL C 587 8.005 9.795 -5.706 1.00 1.51 C ATOM 433 CG2 VAL C 587 6.164 11.482 -5.678 1.00 1.58 C ATOM 0 H VAL C 587 4.563 9.691 -2.968 1.00 0.81 H new ATOM 0 HA VAL C 587 5.560 8.771 -5.567 1.00 0.72 H new ATOM 0 HB VAL C 587 7.209 10.747 -3.942 1.00 0.83 H new ATOM 0 HG11 VAL C 587 8.728 10.587 -5.899 1.00 1.51 H new ATOM 0 HG12 VAL C 587 8.487 8.992 -5.148 1.00 1.51 H new ATOM 0 HG13 VAL C 587 7.632 9.405 -6.653 1.00 1.51 H new ATOM 0 HG21 VAL C 587 6.886 12.276 -5.869 1.00 1.58 H new ATOM 0 HG22 VAL C 587 5.794 11.092 -6.626 1.00 1.58 H new ATOM 0 HG23 VAL C 587 5.330 11.881 -5.100 1.00 1.58 H new ATOM 443 N VAL C 588 5.627 7.529 -2.917 1.00 0.55 N ATOM 444 CA VAL C 588 6.164 6.514 -1.968 1.00 0.51 C ATOM 445 C VAL C 588 6.488 5.231 -2.713 1.00 0.50 C ATOM 446 O VAL C 588 6.007 4.989 -3.804 1.00 0.55 O ATOM 447 CB VAL C 588 5.117 6.176 -0.909 1.00 0.49 C ATOM 448 CG1 VAL C 588 3.777 5.926 -1.596 1.00 0.94 C ATOM 449 CG2 VAL C 588 5.542 4.901 -0.172 1.00 1.28 C ATOM 0 H VAL C 588 4.612 7.632 -2.915 1.00 0.55 H new ATOM 0 HA VAL C 588 7.058 6.927 -1.502 1.00 0.51 H new ATOM 0 HB VAL C 588 5.026 7.001 -0.203 1.00 0.49 H new ATOM 0 HG11 VAL C 588 3.023 5.684 -0.847 1.00 0.94 H new ATOM 0 HG12 VAL C 588 3.474 6.821 -2.139 1.00 0.94 H new ATOM 0 HG13 VAL C 588 3.875 5.094 -2.294 1.00 0.94 H new ATOM 0 HG21 VAL C 588 4.799 4.654 0.586 1.00 1.28 H new ATOM 0 HG22 VAL C 588 5.622 4.079 -0.883 1.00 1.28 H new ATOM 0 HG23 VAL C 588 6.508 5.062 0.306 1.00 1.28 H new ATOM 459 N THR C 589 7.277 4.394 -2.105 1.00 0.48 N ATOM 460 CA THR C 589 7.624 3.097 -2.739 1.00 0.52 C ATOM 461 C THR C 589 7.319 1.967 -1.754 1.00 0.51 C ATOM 462 O THR C 589 8.012 1.782 -0.773 1.00 0.70 O ATOM 463 CB THR C 589 9.112 3.080 -3.101 1.00 0.60 C ATOM 464 OG1 THR C 589 9.748 4.216 -2.532 1.00 1.02 O ATOM 465 CG2 THR C 589 9.271 3.111 -4.622 1.00 1.03 C ATOM 0 H THR C 589 7.699 4.554 -1.190 1.00 0.48 H new ATOM 0 HA THR C 589 7.038 2.962 -3.648 1.00 0.52 H new ATOM 0 HB THR C 589 9.571 2.172 -2.710 1.00 0.60 H new ATOM 0 HG1 THR C 589 10.701 4.206 -2.761 1.00 1.02 H new ATOM 0 HG21 THR C 589 10.331 3.099 -4.877 1.00 1.03 H new ATOM 0 HG22 THR C 589 8.783 2.239 -5.057 1.00 1.03 H new ATOM 0 HG23 THR C 589 8.813 4.018 -5.017 1.00 1.03 H new ATOM 473 N LEU C 590 6.281 1.214 -2.000 1.00 0.50 N ATOM 474 CA LEU C 590 5.929 0.104 -1.072 1.00 0.51 C ATOM 475 C LEU C 590 6.831 -1.099 -1.348 1.00 0.54 C ATOM 476 O LEU C 590 7.125 -1.420 -2.483 1.00 0.61 O ATOM 477 CB LEU C 590 4.468 -0.296 -1.288 1.00 0.59 C ATOM 478 CG LEU C 590 3.552 0.736 -0.629 1.00 0.60 C ATOM 479 CD1 LEU C 590 2.580 1.295 -1.669 1.00 0.98 C ATOM 480 CD2 LEU C 590 2.761 0.067 0.498 1.00 1.09 C ATOM 0 H LEU C 590 5.662 1.320 -2.804 1.00 0.50 H new ATOM 0 HA LEU C 590 6.069 0.434 -0.043 1.00 0.51 H new ATOM 0 HB2 LEU C 590 4.252 -0.361 -2.354 1.00 0.59 H new ATOM 0 HB3 LEU C 590 4.284 -1.284 -0.865 1.00 0.59 H new ATOM 0 HG LEU C 590 4.154 1.548 -0.221 1.00 0.60 H new ATOM 0 HD11 LEU C 590 1.927 2.031 -1.199 1.00 0.98 H new ATOM 0 HD12 LEU C 590 3.141 1.770 -2.474 1.00 0.98 H new ATOM 0 HD13 LEU C 590 1.977 0.484 -2.077 1.00 0.98 H new ATOM 0 HD21 LEU C 590 2.107 0.801 0.969 1.00 1.09 H new ATOM 0 HD22 LEU C 590 2.160 -0.745 0.088 1.00 1.09 H new ATOM 0 HD23 LEU C 590 3.452 -0.333 1.240 1.00 1.09 H new ATOM 492 N GLY C 591 7.276 -1.766 -0.318 1.00 0.56 N ATOM 493 CA GLY C 591 8.162 -2.947 -0.521 1.00 0.65 C ATOM 494 C GLY C 591 7.478 -4.203 0.020 1.00 0.68 C ATOM 495 O GLY C 591 7.378 -4.402 1.214 1.00 0.82 O ATOM 0 H GLY C 591 7.064 -1.544 0.655 1.00 0.56 H new ATOM 0 HA2 GLY C 591 8.383 -3.070 -1.581 1.00 0.65 H new ATOM 0 HA3 GLY C 591 9.114 -2.792 -0.013 1.00 0.65 H new ATOM 499 N LEU C 592 7.006 -5.054 -0.850 1.00 0.64 N ATOM 500 CA LEU C 592 6.333 -6.292 -0.396 1.00 0.72 C ATOM 501 C LEU C 592 7.337 -7.188 0.332 1.00 0.89 C ATOM 502 O LEU C 592 8.431 -6.772 0.660 1.00 1.14 O ATOM 503 CB LEU C 592 5.790 -7.020 -1.621 1.00 0.71 C ATOM 504 CG LEU C 592 4.896 -6.074 -2.425 1.00 0.66 C ATOM 505 CD1 LEU C 592 4.389 -6.792 -3.678 1.00 1.16 C ATOM 506 CD2 LEU C 592 3.703 -5.648 -1.566 1.00 1.33 C ATOM 0 H LEU C 592 7.061 -4.939 -1.862 1.00 0.64 H new ATOM 0 HA LEU C 592 5.520 -6.048 0.287 1.00 0.72 H new ATOM 0 HB2 LEU C 592 6.614 -7.373 -2.241 1.00 0.71 H new ATOM 0 HB3 LEU C 592 5.223 -7.899 -1.313 1.00 0.71 H new ATOM 0 HG LEU C 592 5.469 -5.194 -2.717 1.00 0.66 H new ATOM 0 HD11 LEU C 592 3.752 -6.118 -4.251 1.00 1.16 H new ATOM 0 HD12 LEU C 592 5.237 -7.098 -4.290 1.00 1.16 H new ATOM 0 HD13 LEU C 592 3.816 -7.672 -3.386 1.00 1.16 H new ATOM 0 HD21 LEU C 592 3.065 -4.974 -2.138 1.00 1.33 H new ATOM 0 HD22 LEU C 592 3.131 -6.529 -1.275 1.00 1.33 H new ATOM 0 HD23 LEU C 592 4.062 -5.137 -0.673 1.00 1.33 H new ATOM 518 N ASN C 593 6.976 -8.416 0.585 1.00 1.04 N ATOM 519 CA ASN C 593 7.910 -9.338 1.289 1.00 1.23 C ATOM 520 C ASN C 593 8.173 -10.564 0.413 1.00 1.69 C ATOM 521 O ASN C 593 7.897 -11.683 0.796 1.00 2.38 O ATOM 522 CB ASN C 593 7.288 -9.782 2.615 1.00 1.53 C ATOM 523 CG ASN C 593 7.687 -8.802 3.719 1.00 1.61 C ATOM 524 OD1 ASN C 593 8.810 -8.817 4.184 1.00 1.81 O ATOM 525 ND2 ASN C 593 6.809 -7.944 4.162 1.00 1.93 N ATOM 0 H ASN C 593 6.074 -8.821 0.334 1.00 1.04 H new ATOM 0 HA ASN C 593 8.850 -8.822 1.484 1.00 1.23 H new ATOM 0 HB2 ASN C 593 6.203 -9.822 2.524 1.00 1.53 H new ATOM 0 HB3 ASN C 593 7.624 -10.788 2.868 1.00 1.53 H new ATOM 0 HD21 ASN C 593 7.065 -7.286 4.898 1.00 1.93 H new ATOM 0 HD22 ASN C 593 5.867 -7.931 3.772 1.00 1.93 H new ATOM 532 N GLY C 594 8.705 -10.362 -0.762 1.00 1.81 N ATOM 533 CA GLY C 594 8.985 -11.516 -1.663 1.00 2.38 C ATOM 534 C GLY C 594 7.768 -12.442 -1.703 1.00 1.64 C ATOM 535 O GLY C 594 7.596 -13.294 -0.855 1.00 2.12 O ATOM 0 H GLY C 594 8.958 -9.448 -1.137 1.00 1.81 H new ATOM 0 HA2 GLY C 594 9.216 -11.159 -2.667 1.00 2.38 H new ATOM 0 HA3 GLY C 594 9.859 -12.063 -1.310 1.00 2.38 H new ATOM 539 N GLY C 595 6.921 -12.282 -2.684 1.00 1.04 N ATOM 540 CA GLY C 595 5.717 -13.155 -2.777 1.00 1.07 C ATOM 541 C GLY C 595 4.455 -12.305 -2.613 1.00 0.83 C ATOM 542 O GLY C 595 3.645 -12.200 -3.512 1.00 0.96 O ATOM 0 H GLY C 595 7.011 -11.585 -3.424 1.00 1.04 H new ATOM 0 HA2 GLY C 595 5.700 -13.668 -3.739 1.00 1.07 H new ATOM 0 HA3 GLY C 595 5.752 -13.925 -2.006 1.00 1.07 H new ATOM 546 N GLN C 596 4.282 -11.697 -1.472 1.00 0.63 N ATOM 547 CA GLN C 596 3.073 -10.855 -1.251 1.00 0.53 C ATOM 548 C GLN C 596 2.825 -9.987 -2.487 1.00 0.49 C ATOM 549 O GLN C 596 3.609 -9.118 -2.814 1.00 0.71 O ATOM 550 CB GLN C 596 3.293 -9.957 -0.032 1.00 0.69 C ATOM 551 CG GLN C 596 3.626 -10.822 1.185 1.00 0.73 C ATOM 552 CD GLN C 596 3.586 -9.961 2.449 1.00 0.84 C ATOM 553 OE1 GLN C 596 3.182 -10.421 3.499 1.00 1.55 O ATOM 554 NE2 GLN C 596 3.991 -8.722 2.393 1.00 1.29 N ATOM 0 H GLN C 596 4.926 -11.747 -0.683 1.00 0.63 H new ATOM 0 HA GLN C 596 2.209 -11.496 -1.078 1.00 0.53 H new ATOM 0 HB2 GLN C 596 4.104 -9.255 -0.226 1.00 0.69 H new ATOM 0 HB3 GLN C 596 2.399 -9.365 0.163 1.00 0.69 H new ATOM 0 HG2 GLN C 596 2.913 -11.642 1.268 1.00 0.73 H new ATOM 0 HG3 GLN C 596 4.613 -11.269 1.068 1.00 0.73 H new ATOM 0 HE21 GLN C 596 4.330 -8.336 1.512 1.00 1.29 H new ATOM 0 HE22 GLN C 596 3.969 -8.140 3.230 1.00 1.29 H new ATOM 563 N SER C 597 1.740 -10.214 -3.175 1.00 0.38 N ATOM 564 CA SER C 597 1.444 -9.401 -4.388 1.00 0.38 C ATOM 565 C SER C 597 0.205 -8.538 -4.136 1.00 0.34 C ATOM 566 O SER C 597 -0.580 -8.807 -3.248 1.00 0.36 O ATOM 567 CB SER C 597 1.185 -10.330 -5.575 1.00 0.47 C ATOM 568 OG SER C 597 1.471 -11.669 -5.193 1.00 1.11 O ATOM 0 H SER C 597 1.046 -10.927 -2.950 1.00 0.38 H new ATOM 0 HA SER C 597 2.296 -8.758 -4.609 1.00 0.38 H new ATOM 0 HB2 SER C 597 0.148 -10.245 -5.898 1.00 0.47 H new ATOM 0 HB3 SER C 597 1.807 -10.040 -6.421 1.00 0.47 H new ATOM 0 HG SER C 597 2.335 -11.700 -4.731 1.00 1.11 H new ATOM 574 N VAL C 598 0.025 -7.502 -4.909 1.00 0.36 N ATOM 575 CA VAL C 598 -1.161 -6.622 -4.712 1.00 0.35 C ATOM 576 C VAL C 598 -2.365 -7.213 -5.447 1.00 0.39 C ATOM 577 O VAL C 598 -2.258 -7.669 -6.568 1.00 0.59 O ATOM 578 CB VAL C 598 -0.859 -5.229 -5.268 1.00 0.41 C ATOM 579 CG1 VAL C 598 -2.103 -4.348 -5.146 1.00 0.42 C ATOM 580 CG2 VAL C 598 0.288 -4.601 -4.473 1.00 0.50 C ATOM 0 H VAL C 598 0.648 -7.227 -5.668 1.00 0.36 H new ATOM 0 HA VAL C 598 -1.386 -6.549 -3.648 1.00 0.35 H new ATOM 0 HB VAL C 598 -0.574 -5.312 -6.317 1.00 0.41 H new ATOM 0 HG11 VAL C 598 -1.887 -3.356 -5.542 1.00 0.42 H new ATOM 0 HG12 VAL C 598 -2.921 -4.794 -5.711 1.00 0.42 H new ATOM 0 HG13 VAL C 598 -2.389 -4.265 -4.097 1.00 0.42 H new ATOM 0 HG21 VAL C 598 0.504 -3.608 -4.868 1.00 0.50 H new ATOM 0 HG22 VAL C 598 0.002 -4.520 -3.424 1.00 0.50 H new ATOM 0 HG23 VAL C 598 1.176 -5.227 -4.559 1.00 0.50 H new ATOM 590 N GLN C 599 -3.513 -7.208 -4.825 1.00 0.34 N ATOM 591 CA GLN C 599 -4.723 -7.770 -5.490 1.00 0.42 C ATOM 592 C GLN C 599 -5.655 -6.628 -5.900 1.00 0.48 C ATOM 593 O GLN C 599 -6.201 -6.619 -6.985 1.00 0.62 O ATOM 594 CB GLN C 599 -5.453 -8.701 -4.519 1.00 0.49 C ATOM 595 CG GLN C 599 -6.654 -9.336 -5.224 1.00 0.62 C ATOM 596 CD GLN C 599 -7.919 -9.089 -4.401 1.00 1.44 C ATOM 597 OE1 GLN C 599 -7.844 -8.765 -3.232 1.00 2.30 O ATOM 598 NE2 GLN C 599 -9.087 -9.229 -4.965 1.00 1.98 N ATOM 0 H GLN C 599 -3.665 -6.839 -3.886 1.00 0.34 H new ATOM 0 HA GLN C 599 -4.424 -8.331 -6.375 1.00 0.42 H new ATOM 0 HB2 GLN C 599 -4.775 -9.477 -4.164 1.00 0.49 H new ATOM 0 HB3 GLN C 599 -5.785 -8.143 -3.644 1.00 0.49 H new ATOM 0 HG2 GLN C 599 -6.769 -8.913 -6.222 1.00 0.62 H new ATOM 0 HG3 GLN C 599 -6.492 -10.407 -5.348 1.00 0.62 H new ATOM 0 HE21 GLN C 599 -9.150 -9.501 -5.946 1.00 1.98 H new ATOM 0 HE22 GLN C 599 -9.937 -9.067 -4.425 1.00 1.98 H new ATOM 607 N SER C 600 -5.843 -5.664 -5.040 1.00 0.46 N ATOM 608 CA SER C 600 -6.741 -4.525 -5.382 1.00 0.54 C ATOM 609 C SER C 600 -6.498 -3.371 -4.407 1.00 0.43 C ATOM 610 O SER C 600 -5.973 -3.558 -3.328 1.00 0.40 O ATOM 611 CB SER C 600 -8.198 -4.978 -5.283 1.00 0.71 C ATOM 612 OG SER C 600 -8.293 -6.058 -4.363 1.00 1.09 O ATOM 0 H SER C 600 -5.414 -5.616 -4.116 1.00 0.46 H new ATOM 0 HA SER C 600 -6.532 -4.191 -6.398 1.00 0.54 H new ATOM 0 HB2 SER C 600 -8.827 -4.150 -4.956 1.00 0.71 H new ATOM 0 HB3 SER C 600 -8.562 -5.287 -6.263 1.00 0.71 H new ATOM 0 HG SER C 600 -9.226 -6.350 -4.296 1.00 1.09 H new ATOM 618 N SER C 601 -6.877 -2.179 -4.780 1.00 0.50 N ATOM 619 CA SER C 601 -6.667 -1.013 -3.875 1.00 0.43 C ATOM 620 C SER C 601 -7.792 0.003 -4.083 1.00 0.42 C ATOM 621 O SER C 601 -8.584 -0.113 -4.998 1.00 0.51 O ATOM 622 CB SER C 601 -5.323 -0.358 -4.192 1.00 0.51 C ATOM 623 OG SER C 601 -5.068 -0.461 -5.587 1.00 1.28 O ATOM 0 H SER C 601 -7.323 -1.962 -5.672 1.00 0.50 H new ATOM 0 HA SER C 601 -6.671 -1.351 -2.839 1.00 0.43 H new ATOM 0 HB2 SER C 601 -5.335 0.689 -3.889 1.00 0.51 H new ATOM 0 HB3 SER C 601 -4.527 -0.844 -3.628 1.00 0.51 H new ATOM 0 HG SER C 601 -5.781 -0.008 -6.084 1.00 1.28 H new ATOM 629 N TRP C 602 -7.869 0.998 -3.243 1.00 0.39 N ATOM 630 CA TRP C 602 -8.944 2.019 -3.396 1.00 0.39 C ATOM 631 C TRP C 602 -8.543 3.301 -2.663 1.00 0.38 C ATOM 632 O TRP C 602 -7.782 3.275 -1.715 1.00 0.40 O ATOM 633 CB TRP C 602 -10.248 1.480 -2.805 1.00 0.44 C ATOM 634 CG TRP C 602 -10.060 1.204 -1.348 1.00 0.54 C ATOM 635 CD1 TRP C 602 -10.173 2.124 -0.362 1.00 0.69 C ATOM 636 CD2 TRP C 602 -9.729 -0.056 -0.695 1.00 0.73 C ATOM 637 NE1 TRP C 602 -9.934 1.511 0.851 1.00 0.88 N ATOM 638 CE2 TRP C 602 -9.655 0.167 0.700 1.00 0.91 C ATOM 639 CE3 TRP C 602 -9.488 -1.356 -1.173 1.00 0.90 C ATOM 640 CZ2 TRP C 602 -9.353 -0.865 1.590 1.00 1.16 C ATOM 641 CZ3 TRP C 602 -9.184 -2.397 -0.280 1.00 1.17 C ATOM 642 CH2 TRP C 602 -9.116 -2.151 1.099 1.00 1.27 C ATOM 0 H TRP C 602 -7.235 1.148 -2.458 1.00 0.39 H new ATOM 0 HA TRP C 602 -9.087 2.237 -4.454 1.00 0.39 H new ATOM 0 HB2 TRP C 602 -11.051 2.203 -2.948 1.00 0.44 H new ATOM 0 HB3 TRP C 602 -10.545 0.568 -3.323 1.00 0.44 H new ATOM 0 HD1 TRP C 602 -10.411 3.168 -0.502 1.00 0.69 H new ATOM 0 HE1 TRP C 602 -9.960 1.992 1.750 1.00 0.88 H new ATOM 0 HE3 TRP C 602 -9.537 -1.556 -2.233 1.00 0.90 H new ATOM 0 HZ2 TRP C 602 -9.303 -0.670 2.651 1.00 1.16 H new ATOM 0 HZ3 TRP C 602 -9.002 -3.392 -0.658 1.00 1.17 H new ATOM 0 HH2 TRP C 602 -8.881 -2.955 1.781 1.00 1.27 H new ATOM 653 N ASN C 603 -9.053 4.423 -3.094 1.00 0.39 N ATOM 654 CA ASN C 603 -8.706 5.709 -2.425 1.00 0.41 C ATOM 655 C ASN C 603 -7.309 6.155 -2.861 1.00 0.45 C ATOM 656 O ASN C 603 -6.626 6.867 -2.153 1.00 0.61 O ATOM 657 CB ASN C 603 -8.730 5.519 -0.907 1.00 0.44 C ATOM 658 CG ASN C 603 -9.657 6.561 -0.277 1.00 0.70 C ATOM 659 OD1 ASN C 603 -10.315 6.289 0.708 1.00 1.26 O ATOM 660 ND2 ASN C 603 -9.737 7.750 -0.807 1.00 1.51 N ATOM 0 H ASN C 603 -9.696 4.504 -3.882 1.00 0.39 H new ATOM 0 HA ASN C 603 -9.433 6.470 -2.708 1.00 0.41 H new ATOM 0 HB2 ASN C 603 -9.074 4.514 -0.661 1.00 0.44 H new ATOM 0 HB3 ASN C 603 -7.723 5.619 -0.501 1.00 0.44 H new ATOM 0 HD21 ASN C 603 -10.352 8.452 -0.395 1.00 1.51 H new ATOM 0 HD22 ASN C 603 -9.185 7.978 -1.634 1.00 1.51 H new ATOM 667 N ALA C 604 -6.879 5.742 -4.022 1.00 0.48 N ATOM 668 CA ALA C 604 -5.526 6.144 -4.502 1.00 0.55 C ATOM 669 C ALA C 604 -5.094 5.221 -5.642 1.00 0.62 C ATOM 670 O ALA C 604 -5.703 4.199 -5.892 1.00 0.97 O ATOM 671 CB ALA C 604 -4.523 6.037 -3.353 1.00 0.90 C ATOM 0 H ALA C 604 -7.406 5.144 -4.659 1.00 0.48 H new ATOM 0 HA ALA C 604 -5.560 7.173 -4.860 1.00 0.55 H new ATOM 0 HB1 ALA C 604 -3.534 6.331 -3.705 1.00 0.90 H new ATOM 0 HB2 ALA C 604 -4.830 6.695 -2.540 1.00 0.90 H new ATOM 0 HB3 ALA C 604 -4.489 5.008 -2.994 1.00 0.90 H new ATOM 677 N ALA C 605 -4.045 5.570 -6.336 1.00 0.70 N ATOM 678 CA ALA C 605 -3.575 4.710 -7.459 1.00 1.08 C ATOM 679 C ALA C 605 -2.202 4.129 -7.115 1.00 0.92 C ATOM 680 O ALA C 605 -1.439 4.712 -6.371 1.00 0.98 O ATOM 681 CB ALA C 605 -3.470 5.549 -8.734 1.00 1.58 C ATOM 0 H ALA C 605 -3.494 6.413 -6.174 1.00 0.70 H new ATOM 0 HA ALA C 605 -4.284 3.897 -7.617 1.00 1.08 H new ATOM 0 HB1 ALA C 605 -3.126 4.921 -9.556 1.00 1.58 H new ATOM 0 HB2 ALA C 605 -4.448 5.963 -8.979 1.00 1.58 H new ATOM 0 HB3 ALA C 605 -2.761 6.362 -8.577 1.00 1.58 H new ATOM 687 N LEU C 606 -1.880 2.984 -7.650 1.00 0.91 N ATOM 688 CA LEU C 606 -0.556 2.369 -7.352 1.00 0.79 C ATOM 689 C LEU C 606 0.114 1.941 -8.659 1.00 0.71 C ATOM 690 O LEU C 606 -0.544 1.630 -9.632 1.00 0.84 O ATOM 691 CB LEU C 606 -0.746 1.144 -6.453 1.00 0.98 C ATOM 692 CG LEU C 606 -2.127 0.531 -6.706 1.00 1.52 C ATOM 693 CD1 LEU C 606 -2.126 -0.938 -6.272 1.00 2.33 C ATOM 694 CD2 LEU C 606 -3.182 1.297 -5.899 1.00 2.16 C ATOM 0 H LEU C 606 -2.476 2.448 -8.280 1.00 0.91 H new ATOM 0 HA LEU C 606 0.072 3.098 -6.841 1.00 0.79 H new ATOM 0 HB2 LEU C 606 0.032 0.408 -6.655 1.00 0.98 H new ATOM 0 HB3 LEU C 606 -0.650 1.430 -5.406 1.00 0.98 H new ATOM 0 HG LEU C 606 -2.360 0.596 -7.769 1.00 1.52 H new ATOM 0 HD11 LEU C 606 -3.110 -1.372 -6.453 1.00 2.33 H new ATOM 0 HD12 LEU C 606 -1.377 -1.486 -6.844 1.00 2.33 H new ATOM 0 HD13 LEU C 606 -1.891 -1.003 -5.210 1.00 2.33 H new ATOM 0 HD21 LEU C 606 -4.165 0.861 -6.079 1.00 2.16 H new ATOM 0 HD22 LEU C 606 -2.945 1.233 -4.837 1.00 2.16 H new ATOM 0 HD23 LEU C 606 -3.187 2.343 -6.207 1.00 2.16 H new ATOM 706 N THR C 607 1.418 1.922 -8.689 1.00 0.63 N ATOM 707 CA THR C 607 2.128 1.513 -9.932 1.00 0.69 C ATOM 708 C THR C 607 2.893 0.213 -9.674 1.00 0.65 C ATOM 709 O THR C 607 3.718 0.133 -8.787 1.00 0.69 O ATOM 710 CB THR C 607 3.110 2.612 -10.344 1.00 0.81 C ATOM 711 OG1 THR C 607 2.461 3.874 -10.273 1.00 0.99 O ATOM 712 CG2 THR C 607 3.589 2.361 -11.774 1.00 0.99 C ATOM 0 H THR C 607 2.022 2.172 -7.906 1.00 0.63 H new ATOM 0 HA THR C 607 1.404 1.357 -10.732 1.00 0.69 H new ATOM 0 HB THR C 607 3.967 2.606 -9.671 1.00 0.81 H new ATOM 0 HG1 THR C 607 3.089 4.580 -10.535 1.00 0.99 H new ATOM 0 HG21 THR C 607 4.288 3.144 -12.066 1.00 0.99 H new ATOM 0 HG22 THR C 607 4.086 1.393 -11.826 1.00 0.99 H new ATOM 0 HG23 THR C 607 2.734 2.367 -12.450 1.00 0.99 H new ATOM 720 N GLY C 608 2.623 -0.808 -10.442 1.00 0.77 N ATOM 721 CA GLY C 608 3.333 -2.103 -10.237 1.00 0.85 C ATOM 722 C GLY C 608 2.414 -3.077 -9.499 1.00 0.93 C ATOM 723 O GLY C 608 1.316 -2.733 -9.108 1.00 1.75 O ATOM 0 H GLY C 608 1.942 -0.801 -11.202 1.00 0.77 H new ATOM 0 HA2 GLY C 608 3.630 -2.523 -11.198 1.00 0.85 H new ATOM 0 HA3 GLY C 608 4.246 -1.943 -9.664 1.00 0.85 H new ATOM 727 N SER C 609 2.851 -4.292 -9.306 1.00 0.74 N ATOM 728 CA SER C 609 1.998 -5.284 -8.594 1.00 0.82 C ATOM 729 C SER C 609 2.879 -6.383 -7.994 1.00 0.85 C ATOM 730 O SER C 609 2.427 -7.480 -7.734 1.00 1.51 O ATOM 731 CB SER C 609 1.009 -5.906 -9.580 1.00 1.08 C ATOM 732 OG SER C 609 0.771 -4.994 -10.645 1.00 1.49 O ATOM 0 H SER C 609 3.760 -4.639 -9.610 1.00 0.74 H new ATOM 0 HA SER C 609 1.451 -4.783 -7.796 1.00 0.82 H new ATOM 0 HB2 SER C 609 1.407 -6.843 -9.970 1.00 1.08 H new ATOM 0 HB3 SER C 609 0.074 -6.144 -9.073 1.00 1.08 H new ATOM 0 HG SER C 609 0.138 -5.390 -11.280 1.00 1.49 H new ATOM 738 N SER C 610 4.133 -6.097 -7.771 1.00 0.71 N ATOM 739 CA SER C 610 5.038 -7.127 -7.187 1.00 0.69 C ATOM 740 C SER C 610 6.486 -6.636 -7.260 1.00 0.69 C ATOM 741 O SER C 610 7.077 -6.573 -8.320 1.00 1.01 O ATOM 742 CB SER C 610 4.902 -8.431 -7.973 1.00 0.75 C ATOM 743 OG SER C 610 4.503 -8.137 -9.305 1.00 1.42 O ATOM 0 H SER C 610 4.569 -5.196 -7.968 1.00 0.71 H new ATOM 0 HA SER C 610 4.765 -7.300 -6.146 1.00 0.69 H new ATOM 0 HB2 SER C 610 5.850 -8.968 -7.975 1.00 0.75 H new ATOM 0 HB3 SER C 610 4.168 -9.081 -7.497 1.00 0.75 H new ATOM 0 HG SER C 610 4.416 -8.971 -9.812 1.00 1.42 H new ATOM 749 N GLY C 611 7.061 -6.288 -6.142 1.00 0.65 N ATOM 750 CA GLY C 611 8.470 -5.802 -6.147 1.00 0.66 C ATOM 751 C GLY C 611 8.524 -4.386 -5.570 1.00 0.63 C ATOM 752 O GLY C 611 8.665 -4.195 -4.379 1.00 0.82 O ATOM 0 H GLY C 611 6.616 -6.319 -5.225 1.00 0.65 H new ATOM 0 HA2 GLY C 611 9.098 -6.470 -5.558 1.00 0.66 H new ATOM 0 HA3 GLY C 611 8.864 -5.807 -7.163 1.00 0.66 H new ATOM 756 N THR C 612 8.411 -3.390 -6.406 1.00 0.63 N ATOM 757 CA THR C 612 8.454 -1.988 -5.905 1.00 0.62 C ATOM 758 C THR C 612 7.324 -1.183 -6.550 1.00 0.59 C ATOM 759 O THR C 612 7.350 -0.894 -7.730 1.00 0.68 O ATOM 760 CB THR C 612 9.802 -1.359 -6.265 1.00 0.72 C ATOM 761 OG1 THR C 612 10.845 -2.081 -5.624 1.00 0.83 O ATOM 762 CG2 THR C 612 9.828 0.098 -5.800 1.00 0.80 C ATOM 0 H THR C 612 8.291 -3.487 -7.414 1.00 0.63 H new ATOM 0 HA THR C 612 8.330 -1.983 -4.822 1.00 0.62 H new ATOM 0 HB THR C 612 9.944 -1.396 -7.345 1.00 0.72 H new ATOM 0 HG1 THR C 612 11.709 -1.681 -5.854 1.00 0.83 H new ATOM 0 HG21 THR C 612 10.788 0.545 -6.057 1.00 0.80 H new ATOM 0 HG22 THR C 612 9.027 0.651 -6.291 1.00 0.80 H new ATOM 0 HG23 THR C 612 9.687 0.138 -4.720 1.00 0.80 H new ATOM 770 N VAL C 613 6.330 -0.822 -5.786 1.00 0.54 N ATOM 771 CA VAL C 613 5.199 -0.042 -6.347 1.00 0.58 C ATOM 772 C VAL C 613 5.245 1.386 -5.795 1.00 0.58 C ATOM 773 O VAL C 613 5.892 1.656 -4.803 1.00 0.78 O ATOM 774 CB VAL C 613 3.890 -0.724 -5.941 1.00 0.63 C ATOM 775 CG1 VAL C 613 2.790 0.320 -5.782 1.00 0.71 C ATOM 776 CG2 VAL C 613 3.483 -1.729 -7.022 1.00 0.78 C ATOM 0 H VAL C 613 6.255 -1.037 -4.792 1.00 0.54 H new ATOM 0 HA VAL C 613 5.267 0.000 -7.434 1.00 0.58 H new ATOM 0 HB VAL C 613 4.034 -1.242 -4.993 1.00 0.63 H new ATOM 0 HG11 VAL C 613 1.861 -0.171 -5.493 1.00 0.71 H new ATOM 0 HG12 VAL C 613 3.077 1.036 -5.012 1.00 0.71 H new ATOM 0 HG13 VAL C 613 2.645 0.843 -6.727 1.00 0.71 H new ATOM 0 HG21 VAL C 613 2.551 -2.215 -6.734 1.00 0.78 H new ATOM 0 HG22 VAL C 613 3.343 -1.208 -7.969 1.00 0.78 H new ATOM 0 HG23 VAL C 613 4.265 -2.480 -7.133 1.00 0.78 H new ATOM 786 N THR C 614 4.564 2.303 -6.427 1.00 0.53 N ATOM 787 CA THR C 614 4.573 3.709 -5.931 1.00 0.54 C ATOM 788 C THR C 614 3.148 4.266 -5.948 1.00 0.50 C ATOM 789 O THR C 614 2.346 3.918 -6.792 1.00 0.54 O ATOM 790 CB THR C 614 5.469 4.566 -6.830 1.00 0.60 C ATOM 791 OG1 THR C 614 6.805 4.090 -6.754 1.00 0.70 O ATOM 792 CG2 THR C 614 5.416 6.024 -6.368 1.00 0.75 C ATOM 0 H THR C 614 4.003 2.140 -7.263 1.00 0.53 H new ATOM 0 HA THR C 614 4.959 3.730 -4.912 1.00 0.54 H new ATOM 0 HB THR C 614 5.118 4.503 -7.860 1.00 0.60 H new ATOM 0 HG1 THR C 614 7.380 4.636 -7.330 1.00 0.70 H new ATOM 0 HG21 THR C 614 6.054 6.632 -7.009 1.00 0.75 H new ATOM 0 HG22 THR C 614 4.390 6.387 -6.428 1.00 0.75 H new ATOM 0 HG23 THR C 614 5.766 6.092 -5.338 1.00 0.75 H new ATOM 800 N ALA C 615 2.825 5.130 -5.023 1.00 0.55 N ATOM 801 CA ALA C 615 1.445 5.704 -4.996 1.00 0.55 C ATOM 802 C ALA C 615 1.352 6.861 -5.992 1.00 0.48 C ATOM 803 O ALA C 615 2.334 7.504 -6.305 1.00 0.62 O ATOM 804 CB ALA C 615 1.117 6.216 -3.590 1.00 0.76 C ATOM 0 H ALA C 615 3.451 5.462 -4.289 1.00 0.55 H new ATOM 0 HA ALA C 615 0.732 4.926 -5.270 1.00 0.55 H new ATOM 0 HB1 ALA C 615 0.110 6.632 -3.580 1.00 0.76 H new ATOM 0 HB2 ALA C 615 1.176 5.391 -2.880 1.00 0.76 H new ATOM 0 HB3 ALA C 615 1.832 6.989 -3.308 1.00 0.76 H new ATOM 810 N ARG C 616 0.177 7.132 -6.490 1.00 0.52 N ATOM 811 CA ARG C 616 0.016 8.247 -7.464 1.00 0.64 C ATOM 812 C ARG C 616 -1.271 9.013 -7.148 1.00 0.75 C ATOM 813 O ARG C 616 -2.210 8.452 -6.617 1.00 1.00 O ATOM 814 CB ARG C 616 -0.063 7.678 -8.882 1.00 0.80 C ATOM 815 CG ARG C 616 1.246 7.962 -9.621 1.00 1.09 C ATOM 816 CD ARG C 616 1.179 7.362 -11.027 1.00 1.49 C ATOM 817 NE ARG C 616 1.953 8.216 -11.970 1.00 1.90 N ATOM 818 CZ ARG C 616 1.580 8.316 -13.217 1.00 2.42 C ATOM 819 NH1 ARG C 616 2.160 7.589 -14.132 1.00 2.84 N ATOM 820 NH2 ARG C 616 0.626 9.143 -13.548 1.00 3.18 N ATOM 0 H ARG C 616 -0.680 6.628 -6.263 1.00 0.52 H new ATOM 0 HA ARG C 616 0.869 8.922 -7.392 1.00 0.64 H new ATOM 0 HB2 ARG C 616 -0.246 6.604 -8.844 1.00 0.80 H new ATOM 0 HB3 ARG C 616 -0.900 8.125 -9.418 1.00 0.80 H new ATOM 0 HG2 ARG C 616 1.416 9.037 -9.681 1.00 1.09 H new ATOM 0 HG3 ARG C 616 2.086 7.536 -9.072 1.00 1.09 H new ATOM 0 HD2 ARG C 616 1.583 6.350 -11.021 1.00 1.49 H new ATOM 0 HD3 ARG C 616 0.142 7.289 -11.354 1.00 1.49 H new ATOM 0 HE ARG C 616 2.775 8.723 -11.641 1.00 1.90 H new ATOM 0 HH11 ARG C 616 2.905 6.942 -13.873 1.00 2.84 H new ATOM 0 HH12 ARG C 616 1.868 7.667 -15.106 1.00 2.84 H new ATOM 0 HH21 ARG C 616 0.172 9.711 -12.832 1.00 3.18 H new ATOM 0 HH22 ARG C 616 0.334 9.221 -14.522 1.00 3.18 H new ATOM 834 N PRO C 617 -1.274 10.275 -7.488 1.00 0.78 N ATOM 835 CA PRO C 617 -2.430 11.158 -7.257 1.00 0.91 C ATOM 836 C PRO C 617 -3.515 10.903 -8.306 1.00 0.80 C ATOM 837 O PRO C 617 -3.239 10.475 -9.409 1.00 0.96 O ATOM 838 CB PRO C 617 -1.842 12.564 -7.408 1.00 1.22 C ATOM 839 CG PRO C 617 -0.558 12.410 -8.257 1.00 1.30 C ATOM 840 CD PRO C 617 -0.123 10.938 -8.135 1.00 0.98 C ATOM 0 HA PRO C 617 -2.904 11.001 -6.288 1.00 0.91 H new ATOM 0 HB2 PRO C 617 -2.552 13.232 -7.895 1.00 1.22 H new ATOM 0 HB3 PRO C 617 -1.614 12.997 -6.434 1.00 1.22 H new ATOM 0 HG2 PRO C 617 -0.748 12.673 -9.298 1.00 1.30 H new ATOM 0 HG3 PRO C 617 0.226 13.077 -7.898 1.00 1.30 H new ATOM 0 HD2 PRO C 617 0.090 10.503 -9.111 1.00 0.98 H new ATOM 0 HD3 PRO C 617 0.783 10.838 -7.537 1.00 0.98 H new ATOM 848 N ASN C 618 -4.749 11.164 -7.971 1.00 0.83 N ATOM 849 CA ASN C 618 -5.851 10.938 -8.948 1.00 0.99 C ATOM 850 C ASN C 618 -7.004 11.896 -8.645 1.00 0.98 C ATOM 851 O ASN C 618 -8.132 11.669 -9.034 1.00 1.37 O ATOM 852 CB ASN C 618 -6.345 9.494 -8.836 1.00 1.38 C ATOM 853 CG ASN C 618 -7.072 9.304 -7.503 1.00 1.98 C ATOM 854 OD1 ASN C 618 -7.130 10.210 -6.695 1.00 2.44 O ATOM 855 ND2 ASN C 618 -7.632 8.156 -7.238 1.00 2.66 N ATOM 0 H ASN C 618 -5.042 11.524 -7.063 1.00 0.83 H new ATOM 0 HA ASN C 618 -5.484 11.118 -9.958 1.00 0.99 H new ATOM 0 HB2 ASN C 618 -7.015 9.263 -9.664 1.00 1.38 H new ATOM 0 HB3 ASN C 618 -5.504 8.804 -8.905 1.00 1.38 H new ATOM 0 HD21 ASN C 618 -8.119 8.018 -6.352 1.00 2.66 H new ATOM 0 HD22 ASN C 618 -7.583 7.396 -7.917 1.00 2.66 H new ATOM 862 N GLY C 619 -6.729 12.968 -7.952 1.00 0.85 N ATOM 863 CA GLY C 619 -7.809 13.940 -7.623 1.00 1.01 C ATOM 864 C GLY C 619 -7.621 14.449 -6.193 1.00 1.12 C ATOM 865 O GLY C 619 -7.614 15.638 -5.942 1.00 1.87 O ATOM 0 H GLY C 619 -5.803 13.212 -7.600 1.00 0.85 H new ATOM 0 HA2 GLY C 619 -7.787 14.775 -8.323 1.00 1.01 H new ATOM 0 HA3 GLY C 619 -8.784 13.464 -7.725 1.00 1.01 H new ATOM 869 N SER C 620 -7.469 13.558 -5.252 1.00 1.15 N ATOM 870 CA SER C 620 -7.281 13.991 -3.839 1.00 1.48 C ATOM 871 C SER C 620 -7.521 12.802 -2.907 1.00 1.20 C ATOM 872 O SER C 620 -8.621 12.297 -2.799 1.00 1.56 O ATOM 873 CB SER C 620 -8.275 15.105 -3.510 1.00 2.05 C ATOM 874 OG SER C 620 -7.596 16.354 -3.507 1.00 2.61 O ATOM 0 H SER C 620 -7.467 12.549 -5.401 1.00 1.15 H new ATOM 0 HA SER C 620 -6.264 14.361 -3.704 1.00 1.48 H new ATOM 0 HB2 SER C 620 -9.081 15.118 -4.244 1.00 2.05 H new ATOM 0 HB3 SER C 620 -8.733 14.924 -2.537 1.00 2.05 H new ATOM 0 HG SER C 620 -7.330 16.584 -4.422 1.00 2.61 H new ATOM 880 N GLY C 621 -6.500 12.350 -2.231 1.00 1.04 N ATOM 881 CA GLY C 621 -6.671 11.194 -1.307 1.00 1.04 C ATOM 882 C GLY C 621 -5.384 10.985 -0.507 1.00 0.89 C ATOM 883 O GLY C 621 -4.299 10.965 -1.052 1.00 1.09 O ATOM 0 H GLY C 621 -5.555 12.731 -2.279 1.00 1.04 H new ATOM 0 HA2 GLY C 621 -7.506 11.376 -0.631 1.00 1.04 H new ATOM 0 HA3 GLY C 621 -6.910 10.294 -1.874 1.00 1.04 H new ATOM 887 N ASN C 622 -5.496 10.831 0.784 1.00 0.71 N ATOM 888 CA ASN C 622 -4.279 10.624 1.618 1.00 0.66 C ATOM 889 C ASN C 622 -4.365 9.265 2.317 1.00 0.66 C ATOM 890 O ASN C 622 -3.387 8.755 2.828 1.00 1.05 O ATOM 891 CB ASN C 622 -4.187 11.735 2.666 1.00 0.76 C ATOM 892 CG ASN C 622 -4.501 13.081 2.012 1.00 0.82 C ATOM 893 OD1 ASN C 622 -5.548 13.653 2.245 1.00 1.10 O ATOM 894 ND2 ASN C 622 -3.633 13.617 1.198 1.00 0.97 N ATOM 0 H ASN C 622 -6.378 10.840 1.297 1.00 0.71 H new ATOM 0 HA ASN C 622 -3.393 10.649 0.984 1.00 0.66 H new ATOM 0 HB2 ASN C 622 -4.887 11.542 3.479 1.00 0.76 H new ATOM 0 HB3 ASN C 622 -3.189 11.755 3.103 1.00 0.76 H new ATOM 0 HD21 ASN C 622 -3.833 14.515 0.758 1.00 0.97 H new ATOM 0 HD22 ASN C 622 -2.754 13.138 1.002 1.00 0.97 H new ATOM 901 N SER C 623 -5.527 8.673 2.341 1.00 0.60 N ATOM 902 CA SER C 623 -5.676 7.347 3.003 1.00 0.63 C ATOM 903 C SER C 623 -6.076 6.306 1.957 1.00 0.62 C ATOM 904 O SER C 623 -7.133 6.384 1.364 1.00 0.83 O ATOM 905 CB SER C 623 -6.760 7.432 4.079 1.00 0.71 C ATOM 906 OG SER C 623 -7.015 8.798 4.381 1.00 1.24 O ATOM 0 H SER C 623 -6.381 9.051 1.930 1.00 0.60 H new ATOM 0 HA SER C 623 -4.731 7.059 3.465 1.00 0.63 H new ATOM 0 HB2 SER C 623 -7.673 6.948 3.731 1.00 0.71 H new ATOM 0 HB3 SER C 623 -6.440 6.903 4.977 1.00 0.71 H new ATOM 0 HG SER C 623 -7.710 8.857 5.069 1.00 1.24 H new ATOM 912 N PHE C 624 -5.238 5.334 1.721 1.00 0.46 N ATOM 913 CA PHE C 624 -5.575 4.296 0.707 1.00 0.50 C ATOM 914 C PHE C 624 -5.322 2.905 1.289 1.00 0.41 C ATOM 915 O PHE C 624 -4.384 2.691 2.031 1.00 0.49 O ATOM 916 CB PHE C 624 -4.703 4.497 -0.534 1.00 0.68 C ATOM 917 CG PHE C 624 -3.280 4.103 -0.221 1.00 0.50 C ATOM 918 CD1 PHE C 624 -2.900 2.757 -0.273 1.00 1.28 C ATOM 919 CD2 PHE C 624 -2.339 5.083 0.119 1.00 1.28 C ATOM 920 CE1 PHE C 624 -1.580 2.390 0.015 1.00 1.38 C ATOM 921 CE2 PHE C 624 -1.018 4.716 0.407 1.00 1.46 C ATOM 922 CZ PHE C 624 -0.640 3.369 0.355 1.00 1.00 C ATOM 0 H PHE C 624 -4.338 5.214 2.185 1.00 0.46 H new ATOM 0 HA PHE C 624 -6.626 4.385 0.433 1.00 0.50 H new ATOM 0 HB2 PHE C 624 -5.084 3.897 -1.360 1.00 0.68 H new ATOM 0 HB3 PHE C 624 -4.741 5.539 -0.853 1.00 0.68 H new ATOM 0 HD1 PHE C 624 -3.625 2.001 -0.535 1.00 1.28 H new ATOM 0 HD2 PHE C 624 -2.632 6.122 0.159 1.00 1.28 H new ATOM 0 HE1 PHE C 624 -1.287 1.351 -0.025 1.00 1.38 H new ATOM 0 HE2 PHE C 624 -0.292 5.471 0.669 1.00 1.46 H new ATOM 0 HZ PHE C 624 0.378 3.085 0.578 1.00 1.00 H new ATOM 932 N GLY C 625 -6.152 1.955 0.953 1.00 0.37 N ATOM 933 CA GLY C 625 -5.961 0.575 1.481 1.00 0.39 C ATOM 934 C GLY C 625 -5.589 -0.360 0.330 1.00 0.36 C ATOM 935 O GLY C 625 -5.929 -0.119 -0.811 1.00 0.42 O ATOM 0 H GLY C 625 -6.955 2.076 0.335 1.00 0.37 H new ATOM 0 HA2 GLY C 625 -5.177 0.568 2.238 1.00 0.39 H new ATOM 0 HA3 GLY C 625 -6.874 0.229 1.965 1.00 0.39 H new ATOM 939 N VAL C 626 -4.892 -1.425 0.617 1.00 0.36 N ATOM 940 CA VAL C 626 -4.501 -2.368 -0.468 1.00 0.37 C ATOM 941 C VAL C 626 -4.506 -3.800 0.070 1.00 0.35 C ATOM 942 O VAL C 626 -4.288 -4.035 1.242 1.00 0.40 O ATOM 943 CB VAL C 626 -3.098 -2.017 -0.968 1.00 0.44 C ATOM 944 CG1 VAL C 626 -2.714 -2.959 -2.111 1.00 0.49 C ATOM 945 CG2 VAL C 626 -3.084 -0.572 -1.472 1.00 0.57 C ATOM 0 H VAL C 626 -4.577 -1.682 1.553 1.00 0.36 H new ATOM 0 HA VAL C 626 -5.212 -2.287 -1.290 1.00 0.37 H new ATOM 0 HB VAL C 626 -2.383 -2.125 -0.152 1.00 0.44 H new ATOM 0 HG11 VAL C 626 -1.715 -2.710 -2.468 1.00 0.49 H new ATOM 0 HG12 VAL C 626 -2.725 -3.989 -1.753 1.00 0.49 H new ATOM 0 HG13 VAL C 626 -3.428 -2.851 -2.927 1.00 0.49 H new ATOM 0 HG21 VAL C 626 -2.085 -0.321 -1.828 1.00 0.57 H new ATOM 0 HG22 VAL C 626 -3.798 -0.464 -2.288 1.00 0.57 H new ATOM 0 HG23 VAL C 626 -3.359 0.100 -0.659 1.00 0.57 H new ATOM 955 N THR C 627 -4.752 -4.759 -0.780 1.00 0.38 N ATOM 956 CA THR C 627 -4.770 -6.176 -0.320 1.00 0.39 C ATOM 957 C THR C 627 -3.363 -6.764 -0.437 1.00 0.41 C ATOM 958 O THR C 627 -2.471 -6.158 -0.997 1.00 0.72 O ATOM 959 CB THR C 627 -5.734 -6.984 -1.192 1.00 0.50 C ATOM 960 OG1 THR C 627 -6.937 -6.249 -1.371 1.00 0.69 O ATOM 961 CG2 THR C 627 -6.045 -8.318 -0.511 1.00 0.56 C ATOM 0 H THR C 627 -4.941 -4.622 -1.773 1.00 0.38 H new ATOM 0 HA THR C 627 -5.099 -6.218 0.718 1.00 0.39 H new ATOM 0 HB THR C 627 -5.275 -7.173 -2.163 1.00 0.50 H new ATOM 0 HG1 THR C 627 -7.224 -6.314 -2.306 1.00 0.69 H new ATOM 0 HG21 THR C 627 -6.732 -8.893 -1.133 1.00 0.56 H new ATOM 0 HG22 THR C 627 -5.122 -8.881 -0.374 1.00 0.56 H new ATOM 0 HG23 THR C 627 -6.504 -8.132 0.460 1.00 0.56 H new ATOM 969 N PHE C 628 -3.155 -7.940 0.088 1.00 0.37 N ATOM 970 CA PHE C 628 -1.805 -8.563 0.006 1.00 0.40 C ATOM 971 C PHE C 628 -1.928 -10.075 0.204 1.00 0.45 C ATOM 972 O PHE C 628 -2.248 -10.546 1.277 1.00 0.63 O ATOM 973 CB PHE C 628 -0.907 -7.981 1.098 1.00 0.45 C ATOM 974 CG PHE C 628 -0.604 -6.535 0.790 1.00 0.39 C ATOM 975 CD1 PHE C 628 0.349 -6.212 -0.183 1.00 1.22 C ATOM 976 CD2 PHE C 628 -1.275 -5.517 1.478 1.00 1.32 C ATOM 977 CE1 PHE C 628 0.632 -4.870 -0.467 1.00 1.25 C ATOM 978 CE2 PHE C 628 -0.993 -4.176 1.194 1.00 1.30 C ATOM 979 CZ PHE C 628 -0.039 -3.853 0.221 1.00 0.44 C ATOM 0 H PHE C 628 -3.862 -8.496 0.570 1.00 0.37 H new ATOM 0 HA PHE C 628 -1.370 -8.357 -0.972 1.00 0.40 H new ATOM 0 HB2 PHE C 628 -1.399 -8.061 2.068 1.00 0.45 H new ATOM 0 HB3 PHE C 628 0.020 -8.551 1.162 1.00 0.45 H new ATOM 0 HD1 PHE C 628 0.866 -6.997 -0.715 1.00 1.22 H new ATOM 0 HD2 PHE C 628 -2.011 -5.767 2.228 1.00 1.32 H new ATOM 0 HE1 PHE C 628 1.368 -4.620 -1.217 1.00 1.25 H new ATOM 0 HE2 PHE C 628 -1.511 -3.391 1.725 1.00 1.30 H new ATOM 0 HZ PHE C 628 0.179 -2.818 0.002 1.00 0.44 H new ATOM 989 N TYR C 629 -1.672 -10.840 -0.821 1.00 0.47 N ATOM 990 CA TYR C 629 -1.771 -12.320 -0.686 1.00 0.53 C ATOM 991 C TYR C 629 -0.631 -12.824 0.201 1.00 0.64 C ATOM 992 O TYR C 629 0.483 -12.345 0.125 1.00 0.81 O ATOM 993 CB TYR C 629 -1.668 -12.967 -2.069 1.00 0.58 C ATOM 994 CG TYR C 629 -2.990 -12.838 -2.786 1.00 0.55 C ATOM 995 CD1 TYR C 629 -4.098 -13.574 -2.348 1.00 1.35 C ATOM 996 CD2 TYR C 629 -3.109 -11.983 -3.888 1.00 1.32 C ATOM 997 CE1 TYR C 629 -5.325 -13.454 -3.013 1.00 1.41 C ATOM 998 CE2 TYR C 629 -4.335 -11.863 -4.553 1.00 1.33 C ATOM 999 CZ TYR C 629 -5.443 -12.599 -4.115 1.00 0.70 C ATOM 1000 OH TYR C 629 -6.652 -12.481 -4.770 1.00 0.84 O ATOM 0 H TYR C 629 -1.399 -10.505 -1.745 1.00 0.47 H new ATOM 0 HA TYR C 629 -2.728 -12.583 -0.235 1.00 0.53 H new ATOM 0 HB2 TYR C 629 -0.880 -12.487 -2.649 1.00 0.58 H new ATOM 0 HB3 TYR C 629 -1.397 -14.018 -1.971 1.00 0.58 H new ATOM 0 HD1 TYR C 629 -4.006 -14.234 -1.498 1.00 1.35 H new ATOM 0 HD2 TYR C 629 -2.254 -11.416 -4.225 1.00 1.32 H new ATOM 0 HE1 TYR C 629 -6.180 -14.021 -2.675 1.00 1.41 H new ATOM 0 HE2 TYR C 629 -4.426 -11.203 -5.403 1.00 1.33 H new ATOM 0 HH TYR C 629 -7.384 -12.632 -4.136 1.00 0.84 H new ATOM 1010 N LYS C 630 -0.898 -13.786 1.041 1.00 0.72 N ATOM 1011 CA LYS C 630 0.175 -14.316 1.929 1.00 0.86 C ATOM 1012 C LYS C 630 0.448 -15.780 1.580 1.00 0.91 C ATOM 1013 O LYS C 630 1.540 -16.141 1.189 1.00 1.50 O ATOM 1014 CB LYS C 630 -0.262 -14.212 3.395 1.00 1.53 C ATOM 1015 CG LYS C 630 -1.785 -14.076 3.477 1.00 1.96 C ATOM 1016 CD LYS C 630 -2.196 -13.809 4.927 1.00 2.78 C ATOM 1017 CE LYS C 630 -2.069 -15.097 5.742 1.00 3.45 C ATOM 1018 NZ LYS C 630 -0.815 -15.054 6.547 1.00 4.13 N ATOM 0 H LYS C 630 -1.811 -14.227 1.151 1.00 0.72 H new ATOM 0 HA LYS C 630 1.083 -13.730 1.784 1.00 0.86 H new ATOM 0 HB2 LYS C 630 0.063 -15.096 3.944 1.00 1.53 H new ATOM 0 HB3 LYS C 630 0.214 -13.352 3.865 1.00 1.53 H new ATOM 0 HG2 LYS C 630 -2.123 -13.262 2.836 1.00 1.96 H new ATOM 0 HG3 LYS C 630 -2.262 -14.986 3.114 1.00 1.96 H new ATOM 0 HD2 LYS C 630 -1.565 -13.031 5.357 1.00 2.78 H new ATOM 0 HD3 LYS C 630 -3.222 -13.444 4.963 1.00 2.78 H new ATOM 0 HE2 LYS C 630 -2.932 -15.211 6.399 1.00 3.45 H new ATOM 0 HE3 LYS C 630 -2.058 -15.961 5.077 1.00 3.45 H new ATOM 0 HZ1 LYS C 630 -0.420 -16.013 6.625 1.00 4.13 H new ATOM 0 HZ2 LYS C 630 -0.124 -14.432 6.081 1.00 4.13 H new ATOM 0 HZ3 LYS C 630 -1.025 -14.687 7.497 1.00 4.13 H new ATOM 1032 N ASN C 631 -0.536 -16.626 1.717 1.00 1.42 N ATOM 1033 CA ASN C 631 -0.330 -18.065 1.392 1.00 2.28 C ATOM 1034 C ASN C 631 1.018 -18.528 1.950 1.00 2.69 C ATOM 1035 O ASN C 631 1.650 -19.417 1.416 1.00 3.45 O ATOM 1036 CB ASN C 631 -0.344 -18.252 -0.127 1.00 2.71 C ATOM 1037 CG ASN C 631 -1.486 -17.433 -0.732 1.00 2.54 C ATOM 1038 OD1 ASN C 631 -2.588 -17.436 -0.220 1.00 2.60 O ATOM 1039 ND2 ASN C 631 -1.268 -16.728 -1.808 1.00 2.84 N ATOM 0 H ASN C 631 -1.473 -16.383 2.040 1.00 1.42 H new ATOM 0 HA ASN C 631 -1.130 -18.656 1.839 1.00 2.28 H new ATOM 0 HB2 ASN C 631 0.609 -17.936 -0.552 1.00 2.71 H new ATOM 0 HB3 ASN C 631 -0.469 -19.307 -0.373 1.00 2.71 H new ATOM 0 HD21 ASN C 631 -2.023 -16.179 -2.220 1.00 2.84 H new ATOM 0 HD22 ASN C 631 -0.343 -16.726 -2.237 1.00 2.84 H new ATOM 1046 N GLY C 632 1.461 -17.933 3.024 1.00 2.45 N ATOM 1047 CA GLY C 632 2.767 -18.341 3.616 1.00 2.93 C ATOM 1048 C GLY C 632 3.696 -17.129 3.710 1.00 2.48 C ATOM 1049 O GLY C 632 4.903 -17.257 3.656 1.00 3.03 O ATOM 0 H GLY C 632 0.976 -17.183 3.517 1.00 2.45 H new ATOM 0 HA2 GLY C 632 2.610 -18.768 4.607 1.00 2.93 H new ATOM 0 HA3 GLY C 632 3.227 -19.117 3.004 1.00 2.93 H new ATOM 1053 N SER C 633 3.148 -15.953 3.854 1.00 1.85 N ATOM 1054 CA SER C 633 4.006 -14.739 3.954 1.00 1.93 C ATOM 1055 C SER C 633 4.379 -14.502 5.419 1.00 1.59 C ATOM 1056 O SER C 633 4.508 -15.430 6.193 1.00 2.12 O ATOM 1057 CB SER C 633 3.243 -13.527 3.419 1.00 2.53 C ATOM 1058 OG SER C 633 2.223 -13.169 4.342 1.00 3.04 O ATOM 0 H SER C 633 2.144 -15.781 3.907 1.00 1.85 H new ATOM 0 HA SER C 633 4.912 -14.884 3.365 1.00 1.93 H new ATOM 0 HB2 SER C 633 3.925 -12.690 3.271 1.00 2.53 H new ATOM 0 HB3 SER C 633 2.806 -13.758 2.448 1.00 2.53 H new ATOM 0 HG SER C 633 2.177 -12.193 4.416 1.00 3.04 H new ATOM 1064 N SER C 634 4.553 -13.268 5.809 1.00 1.40 N ATOM 1065 CA SER C 634 4.917 -12.981 7.225 1.00 1.69 C ATOM 1066 C SER C 634 4.855 -11.471 7.477 1.00 1.31 C ATOM 1067 O SER C 634 3.799 -10.872 7.452 1.00 1.37 O ATOM 1068 CB SER C 634 6.331 -13.495 7.500 1.00 2.50 C ATOM 1069 OG SER C 634 6.309 -14.915 7.573 1.00 3.29 O ATOM 0 H SER C 634 4.459 -12.448 5.209 1.00 1.40 H new ATOM 0 HA SER C 634 4.215 -13.483 7.891 1.00 1.69 H new ATOM 0 HB2 SER C 634 7.008 -13.170 6.710 1.00 2.50 H new ATOM 0 HB3 SER C 634 6.707 -13.077 8.434 1.00 2.50 H new ATOM 0 HG SER C 634 5.416 -15.241 7.335 1.00 3.29 H new ATOM 1075 N ALA C 635 5.978 -10.850 7.724 1.00 1.22 N ATOM 1076 CA ALA C 635 5.980 -9.382 7.982 1.00 1.06 C ATOM 1077 C ALA C 635 5.061 -8.679 6.980 1.00 0.94 C ATOM 1078 O ALA C 635 5.094 -8.949 5.796 1.00 1.13 O ATOM 1079 CB ALA C 635 7.403 -8.841 7.834 1.00 1.35 C ATOM 0 H ALA C 635 6.894 -11.297 7.758 1.00 1.22 H new ATOM 0 HA ALA C 635 5.620 -9.194 8.994 1.00 1.06 H new ATOM 0 HB1 ALA C 635 7.406 -7.767 8.022 1.00 1.35 H new ATOM 0 HB2 ALA C 635 8.057 -9.337 8.551 1.00 1.35 H new ATOM 0 HB3 ALA C 635 7.762 -9.033 6.823 1.00 1.35 H new ATOM 1085 N THR C 636 4.240 -7.778 7.448 1.00 0.86 N ATOM 1086 CA THR C 636 3.322 -7.056 6.533 1.00 0.85 C ATOM 1087 C THR C 636 4.120 -6.046 5.703 1.00 0.83 C ATOM 1088 O THR C 636 5.255 -5.748 6.017 1.00 0.90 O ATOM 1089 CB THR C 636 2.264 -6.322 7.361 1.00 0.96 C ATOM 1090 OG1 THR C 636 2.443 -6.628 8.736 1.00 1.47 O ATOM 1091 CG2 THR C 636 0.868 -6.762 6.918 1.00 1.52 C ATOM 0 H THR C 636 4.168 -7.513 8.430 1.00 0.86 H new ATOM 0 HA THR C 636 2.834 -7.765 5.864 1.00 0.85 H new ATOM 0 HB THR C 636 2.369 -5.248 7.210 1.00 0.96 H new ATOM 0 HG1 THR C 636 1.767 -6.157 9.267 1.00 1.47 H new ATOM 0 HG21 THR C 636 0.117 -6.238 7.509 1.00 1.52 H new ATOM 0 HG22 THR C 636 0.730 -6.525 5.863 1.00 1.52 H new ATOM 0 HG23 THR C 636 0.761 -7.837 7.066 1.00 1.52 H new ATOM 1099 N PRO C 637 3.499 -5.552 4.665 1.00 0.81 N ATOM 1100 CA PRO C 637 4.119 -4.570 3.759 1.00 0.85 C ATOM 1101 C PRO C 637 4.083 -3.171 4.382 1.00 0.90 C ATOM 1102 O PRO C 637 3.468 -2.953 5.406 1.00 1.18 O ATOM 1103 CB PRO C 637 3.241 -4.633 2.507 1.00 0.90 C ATOM 1104 CG PRO C 637 1.874 -5.200 2.961 1.00 0.91 C ATOM 1105 CD PRO C 637 2.119 -5.927 4.297 1.00 0.85 C ATOM 0 HA PRO C 637 5.167 -4.782 3.549 1.00 0.85 H new ATOM 0 HB2 PRO C 637 3.124 -3.644 2.065 1.00 0.90 H new ATOM 0 HB3 PRO C 637 3.693 -5.270 1.747 1.00 0.90 H new ATOM 0 HG2 PRO C 637 1.144 -4.400 3.084 1.00 0.91 H new ATOM 0 HG3 PRO C 637 1.472 -5.886 2.215 1.00 0.91 H new ATOM 0 HD2 PRO C 637 1.405 -5.613 5.058 1.00 0.85 H new ATOM 0 HD3 PRO C 637 2.015 -7.007 4.188 1.00 0.85 H new ATOM 1113 N GLY C 638 4.739 -2.221 3.771 1.00 0.97 N ATOM 1114 CA GLY C 638 4.740 -0.840 4.330 1.00 1.07 C ATOM 1115 C GLY C 638 5.017 0.168 3.213 1.00 0.83 C ATOM 1116 O GLY C 638 5.602 -0.158 2.198 1.00 0.68 O ATOM 0 H GLY C 638 5.273 -2.342 2.910 1.00 0.97 H new ATOM 0 HA2 GLY C 638 3.779 -0.625 4.796 1.00 1.07 H new ATOM 0 HA3 GLY C 638 5.498 -0.753 5.108 1.00 1.07 H new ATOM 1120 N ALA C 639 4.601 1.394 3.392 1.00 0.86 N ATOM 1121 CA ALA C 639 4.840 2.425 2.344 1.00 0.69 C ATOM 1122 C ALA C 639 6.034 3.292 2.747 1.00 0.61 C ATOM 1123 O ALA C 639 6.158 3.709 3.882 1.00 0.76 O ATOM 1124 CB ALA C 639 3.598 3.304 2.197 1.00 0.79 C ATOM 0 H ALA C 639 4.106 1.725 4.220 1.00 0.86 H new ATOM 0 HA ALA C 639 5.050 1.934 1.394 1.00 0.69 H new ATOM 0 HB1 ALA C 639 3.775 4.058 1.430 1.00 0.79 H new ATOM 0 HB2 ALA C 639 2.747 2.686 1.910 1.00 0.79 H new ATOM 0 HB3 ALA C 639 3.386 3.795 3.146 1.00 0.79 H new ATOM 1130 N THR C 640 6.919 3.556 1.828 1.00 0.51 N ATOM 1131 CA THR C 640 8.115 4.384 2.156 1.00 0.53 C ATOM 1132 C THR C 640 7.866 5.856 1.818 1.00 0.48 C ATOM 1133 O THR C 640 7.169 6.191 0.884 1.00 0.42 O ATOM 1134 CB THR C 640 9.299 3.906 1.334 1.00 0.60 C ATOM 1135 OG1 THR C 640 9.166 2.517 1.068 1.00 0.68 O ATOM 1136 CG2 THR C 640 10.597 4.164 2.101 1.00 0.78 C ATOM 0 H THR C 640 6.867 3.234 0.862 1.00 0.51 H new ATOM 0 HA THR C 640 8.316 4.284 3.223 1.00 0.53 H new ATOM 0 HB THR C 640 9.326 4.451 0.391 1.00 0.60 H new ATOM 0 HG1 THR C 640 8.878 2.388 0.140 1.00 0.68 H new ATOM 0 HG21 THR C 640 11.444 3.820 1.508 1.00 0.78 H new ATOM 0 HG22 THR C 640 10.699 5.232 2.294 1.00 0.78 H new ATOM 0 HG23 THR C 640 10.574 3.624 3.048 1.00 0.78 H new ATOM 1144 N CYS C 641 8.468 6.733 2.563 1.00 0.64 N ATOM 1145 CA CYS C 641 8.309 8.193 2.302 1.00 0.73 C ATOM 1146 C CYS C 641 9.457 8.958 2.965 1.00 1.46 C ATOM 1147 O CYS C 641 9.265 9.673 3.929 1.00 2.04 O ATOM 1148 CB CYS C 641 6.969 8.679 2.864 1.00 0.81 C ATOM 1149 SG CYS C 641 5.709 8.610 1.568 1.00 1.49 S ATOM 0 H CYS C 641 9.072 6.502 3.352 1.00 0.64 H new ATOM 0 HA CYS C 641 8.329 8.371 1.227 1.00 0.73 H new ATOM 0 HB2 CYS C 641 6.671 8.059 3.709 1.00 0.81 H new ATOM 0 HB3 CYS C 641 7.067 9.699 3.236 1.00 0.81 H new ATOM 1154 N ALA C 642 10.650 8.813 2.455 1.00 1.90 N ATOM 1155 CA ALA C 642 11.811 9.531 3.053 1.00 2.61 C ATOM 1156 C ALA C 642 12.497 10.377 1.981 1.00 2.78 C ATOM 1157 O ALA C 642 12.218 10.253 0.805 1.00 2.94 O ATOM 1158 CB ALA C 642 12.814 8.515 3.601 1.00 3.67 C ATOM 0 H ALA C 642 10.871 8.228 1.649 1.00 1.90 H new ATOM 0 HA ALA C 642 11.458 10.173 3.860 1.00 2.61 H new ATOM 0 HB1 ALA C 642 13.663 9.041 4.038 1.00 3.67 H new ATOM 0 HB2 ALA C 642 12.333 7.904 4.365 1.00 3.67 H new ATOM 0 HB3 ALA C 642 13.162 7.874 2.791 1.00 3.67 H new ATOM 1164 N THR C 643 13.401 11.231 2.377 1.00 3.20 N ATOM 1165 CA THR C 643 14.111 12.074 1.378 1.00 3.70 C ATOM 1166 C THR C 643 15.600 11.734 1.392 1.00 4.51 C ATOM 1167 O THR C 643 16.326 12.105 2.292 1.00 4.79 O ATOM 1168 CB THR C 643 13.929 13.550 1.721 1.00 3.82 C ATOM 1169 OG1 THR C 643 14.611 13.842 2.933 1.00 4.09 O ATOM 1170 CG2 THR C 643 12.441 13.861 1.880 1.00 3.57 C ATOM 0 H THR C 643 13.677 11.380 3.348 1.00 3.20 H new ATOM 0 HA THR C 643 13.698 11.880 0.388 1.00 3.70 H new ATOM 0 HB THR C 643 14.340 14.162 0.918 1.00 3.82 H new ATOM 0 HG1 THR C 643 15.364 13.224 3.042 1.00 4.09 H new ATOM 0 HG21 THR C 643 12.314 14.915 2.125 1.00 3.57 H new ATOM 0 HG22 THR C 643 11.921 13.640 0.948 1.00 3.57 H new ATOM 0 HG23 THR C 643 12.025 13.250 2.681 1.00 3.57 H new ATOM 1178 N GLY C 644 16.056 11.031 0.397 1.00 5.16 N ATOM 1179 CA GLY C 644 17.499 10.661 0.340 1.00 6.16 C ATOM 1180 C GLY C 644 17.634 9.140 0.257 1.00 6.83 C ATOM 1181 O GLY C 644 17.103 8.568 -0.680 1.00 7.40 O ATOM 1182 OXT GLY C 644 18.268 8.573 1.132 1.00 7.04 O ATOM 0 H GLY C 644 15.492 10.694 -0.383 1.00 5.16 H new ATOM 0 HA2 GLY C 644 17.970 11.126 -0.526 1.00 6.16 H new ATOM 0 HA3 GLY C 644 18.016 11.035 1.224 1.00 6.16 H new TER 1186 GLY C 644 CONECT 40 1149 CONECT 1149 40 END