*HEADER    HYDROLASE(XYLAN DEGRADATION)            22-NOV-00   1HEJ
*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 STRAIN: JM83;
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSS
*KEYWDS    HYDROLASE, XYLAN BINDING DOMAIN, XYLANASE, BETA-SHEET
*EXPDTA    NMR, 5 STRUCTURES
*AUTHOR    P.J.SIMPSON,X.HEFANG,D.N.BOLAM,P.WHITE,S.M.HANCOCK,
*AUTHOR   2 H.J.GILBERT,M.P.WILLIAMSON




! NOE constraints for CBD
!
! Methylenes etc. treated using sum-averaging (ie. HB1 HB2 -> HB+)
! Contours corrected for summation and unused pairs commented (!)
!
!set message=off echo=off end
! These are the 'initial' set of constraints
! Final number after the ! is number of contours
 assign (resid 557 and name   hb )(resid 557 and name   ha )    4.08 2.18 0.00 !  5
! assign (resid 557 and name   hn )(resid 557 and name   ha )    4.08 2.18 0.00 !  5
 assign (resid 557 and name hg2+ )(resid 557 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 558 and name   hn )(resid 557 and name   ha )    4.08 2.18 0.00 !  5
 assign (resid 558 and name   hn )(resid 558 and name  ha+ )    3.04 1.14 0.00 !  8
 assign (resid 559 and name   hn )(resid 559 and name   ha )    4.08 2.18 0.00 !  5
 assign (resid 559 and name   hn )(resid 559 and name  hb+ )    3.70 1.80 0.00 !  6
 assign (resid 560 and name   ha )(resid 560 and name  hb+ )    2.50 0.60 0.00 ! 10
 assign (resid 560 and name   hn )(resid 559 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 560 and name   hn )(resid 560 and name  hb+ )    4.97 3.07 0.00 !  3
 assign (resid 560 and name   hn )(resid 641 and name  hb2 )    5.50 3.60 0.00 !  2
 assign (resid 560 and name   hn )(resid 559 and name  hb+ )    2.75 0.85 0.00 !  9
 assign (resid 561 and name   hn )(resid 560 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 561 and name   hn )(resid 560 and name  hb+ )    3.04 1.14 0.00 !  8
 assign (resid 562 and name   ha )(resid 562 and name   hb )    3.35 1.45 0.00 !  7
 assign (resid 562 and name   ha )(resid 580 and name   ha )    3.04 1.14 0.00 !  8
 assign (resid 562 and name   ha )(resid 562 and name hg++ )    3.70 1.80 0.00 !  6
 assign (resid 562 and name   hn )(resid 561 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 562 and name   hn )(resid 562 and name   hb )    4.97 3.07 0.00 !  3
 assign (resid 562 and name   hn )(resid 562 and name hg++ )    3.35 1.45 0.00 !  7
 assign (resid 562 and name hg++ )(resid 641 and name  hb1 )    2.50 0.60 0.00 ! 10
 assign (resid 563 and name   hn )(resid 563 and name   ha )    4.08 2.18 0.00 !  5
 assign (resid 563 and name   hn )(resid 579 and name   hn )    4.08 2.18 0.00 !  5
 assign (resid 563 and name   hn )(resid 563 and name  hb+ )    3.70 1.80 0.00 !  6
 assign (resid 564 and name   hn )(resid 563 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 565 and name   hn )(resid 577 and name   hn )    4.08 2.18 0.00 !  5
 !assign (resid 565 and name   hn )(resid 565 and name hg2+ )    3.70 1.80 0.00 !  6
 assign (resid 565 and name   hn )(resid 576 and name hg++ )    3.70 1.80 0.00 !  6
 assign (resid 565 and name hg2+ )(resid 565 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 565 and name hg1+ )(resid 565 and name   ha )    3.04 1.14 0.00 !  8
 assign (resid 566 and name   he )(resid 566 and name  hb+ )    4.51 2.61 0.00 !  4
 assign (resid 566 and name   he )(resid 566 and name  hd+ )    2.75 0.85 0.00 !  9
 assign (resid 566 and name   he )(resid 566 and name  hg+ )    5.50 3.60 0.00 !  2
 assign (resid 566 and name   hn )(resid 566 and name   ha )    4.08 2.18 0.00 !  5
 assign (resid 566 and name   hn )(resid 565 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 566 and name   hn )(resid 566 and name  hb+ )    3.70 1.80 0.00 !  6
 assign (resid 566 and name  hb+ )(resid 566 and name   ha )    4.08 2.18 0.00 !  5
 assign (resid 566 and name  hb+ )(resid 566 and name  hd+ )    4.51 2.61 0.00 !  4
 assign (resid 566 and name  hg+ )(resid 566 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 567 and name   hn )(resid 566 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 567 and name   hn )(resid 567 and name  ha+ )    3.04 1.14 0.00 !  8
 assign (resid 568 and name   ha )(resid 568 and name  hb1 )    2.75 0.85 0.00 !  9
 assign (resid 568 and name   ha )(resid 568 and name  hg+ )    3.70 1.80 0.00 !  6
 assign (resid 568 and name   hn )(resid 568 and name   ha )    3.35 1.45 0.00 !  7
 assign (resid 568 and name   hn )(resid 568 and name  hb2 )    3.04 1.14 0.00 !  8
 assign (resid 568 and name   hn )(resid 568 and name  hg+ )    4.97 3.07 0.00 !  3
 assign (resid 568 and name   hn )(resid 567 and name  ha+ )    2.50 0.60 0.00 ! 11
 assign (resid 568 and name   hn )(resid 575 and name  hb1 )    4.08 2.18 0.00 !  5
 assign (resid 569 and name   hn )(resid 568 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 569 and name  hb+ )(resid 569 and name   ha )    5.50 3.60 0.00 !  2
 assign (resid 570 and name   hd1 )(resid 570 and name   ha )   4.08 2.18 0.00 !  5
 assign (resid 570 and name   hd1 )(resid 570 and name  hb1 )   3.04 1.14 0.00 !  8
 assign (resid 570 and name   hh2 )(resid 575 and name hd2+ )   3.70 1.80 0.00 !  6
 assign (resid 570 and name   hn )(resid 570 and name  hb2 )    5.50 3.60 0.00 !  2
 assign (resid 570 and name   hn )(resid 570 and name  he3 )    3.70 1.80 0.00 !  6
 assign (resid 570 and name  he3 )(resid 569 and name   ha )    4.08 2.18 0.00 !  5
 assign (resid 570 and name  he3 )(resid 574 and name   ha )    3.04 1.14 0.00 !  8
 assign (resid 570 and name  hz3 )(resid 574 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 570 and name  hz3 )(resid 627 and name hg2+ )    4.51 2.61 0.00 !  4
 assign (resid 571 and name   hn )(resid 572 and name   hn )    4.51 2.61 0.00 !  4
 assign (resid 571 and name   hn )(resid 571 and name  hb+ )    2.50 0.60 0.00 ! 10
 assign (resid 571 and name   hn )(resid 570 and name  hb1 )    4.97 3.07 0.00 !  3
 assign (resid 572 and name   ha )(resid 572 and name  hb+ )    3.04 1.14 0.00 !  8
 assign (resid 572 and name   hn )(resid 572 and name   ha )    4.08 2.18 0.00 !  5
 assign (resid 572 and name   hn )(resid 573 and name   hn )    3.04 1.14 0.00 !  8
 assign (resid 572 and name   hn )(resid 571 and name  hb+ )    3.35 1.45 0.00 !  7
 assign (resid 572 and name   hn )(resid 572 and name  hb+ )    4.08 2.18 0.00 !  5
 assign (resid 573 and name   ha )(resid 629 and name   ha )    3.35 1.45 0.00 !  7
 assign (resid 573 and name   ha )(resid 627 and name hg2+ )    5.50 3.60 0.00 !  1
 assign (resid 573 and name   hn )(resid 572 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 573 and name   hn )(resid 573 and name   ha )    4.08 2.18 0.00 !  5
 assign (resid 574 and name   ha )(resid 569 and name   ha )    3.04 1.14 0.00 !  8
 assign (resid 574 and name   ha )(resid 569 and name  hb+ )    5.50 3.60 0.00 !  1
 assign (resid 574 and name   ha )(resid 574 and name  hb+ )    2.50 0.60 0.00 ! 10
 assign (resid 574 and name   hn )(resid 574 and name   ha )    3.70 1.80 0.00 !  6
 assign (resid 574 and name   hn )(resid 573 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 574 and name   hn )(resid 629 and name   ha )    5.50 3.60 0.00 !  2
 assign (resid 574 and name   hn )(resid 574 and name  hb+ )    5.50 3.60 0.00 !  2
 assign (resid 574 and name   hn )(resid 574 and name  hd+ )    3.70 1.80 0.00 !  6
 assign (resid 574 and name  hd+ )(resid 574 and name   ha )    4.97 3.07 0.00 !  3
 assign (resid 574 and name  hd+ )(resid 573 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 574 and name  hd+ )(resid 576 and name hg2+ )    2.75 0.85 0.00 !  9
 assign (resid 574 and name  he+ )(resid 637 and name  hd+ )    3.04 1.14 0.00 !  8
 assign (resid 574 and name  he+ )(resid 576 and name hg1+ )    5.50 3.60 0.00 !  2
 assign (resid 574 and name  he+ )(resid 576 and name hg2+ )    2.50 0.60 0.00 ! 10
 assign (resid 574 and name  hz )(resid 637 and name  hd+ )     2.75 0.85 0.00 !  9
 assign (resid 575 and name   ha )(resid 627 and name   ha )    3.04 1.14 0.00 !  8
 assign (resid 575 and name   ha )(resid 575 and name  hb2 )    4.08 2.18 0.00 !  5
 assign (resid 575 and name   ha )(resid 627 and name hg2+ )    5.50 3.60 0.00 !  2
 assign (resid 575 and name   hn )(resid 574 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 575 and name   hn )(resid 575 and name   ha )    5.50 3.60 0.00 !  2
 assign (resid 575 and name   hn )(resid 574 and name  hb+ )    2.75 0.85 0.00 !  9
 assign (resid 575 and name   hn )(resid 575 and name  hb1 )    3.70 1.80 0.00 !  6
 assign (resid 575 and name hd2+ )(resid 575 and name  hb1 )    3.35 1.45 0.00 !  7
 assign (resid 576 and name   hb )(resid 576 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 576 and name   hn )(resid 575 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 576 and name   hn )(resid 576 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 576 and name   hn )(resid 576 and name   hb )    4.08 2.18 0.00 !  5
 assign (resid 576 and name   hn )(resid 626 and name   hn )    4.08 2.18 0.00 !  5
 assign (resid 576 and name   hn )(resid 576 and name hg1+ )    5.50 3.60 0.00 !  1
 assign (resid 576 and name   hn )(resid 576 and name hg++ )    4.08 2.18 0.00 !  5
 assign (resid 576 and name hg1+ )(resid 566 and name   ha )    3.70 1.80 0.00 !  6
 assign (resid 576 and name hg2+ )(resid 566 and name   ha )    3.70 1.80 0.00 !  6
 assign (resid 576 and name hg1+ )(resid 576 and name   ha )    2.75 0.85 0.00 !  9
 assign (resid 576 and name hg2+ )(resid 576 and name   ha )    3.35 1.45 0.00 !  7
 assign (resid 577 and name   hn )(resid 577 and name   hb )    3.35 1.45 0.00 !  7
 assign (resid 577 and name   hn )(resid 576 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 577 and name   hn )(resid 577 and name hg2+ )    5.50 3.60 0.00 !  2
 assign (resid 577 and name   hn )(resid 576 and name hg1+ )    3.04 1.14 0.00 !  8
 assign (resid 577 and name   hn )(resid 576 and name hg2+ )    4.97 3.07 0.00 !  3
 assign (resid 578 and name   hh )(resid 628 and name   hz )    4.51 2.61 0.00 !  4
 assign (resid 578 and name   hh )(resid 637 and name   ha )    5.50 3.60 0.00 !  2
 assign (resid 578 and name   hh )(resid 564 and name  hb+ )    3.70 1.80 0.00 !  6
 assign (resid 578 and name   hh )(resid 628 and name  he+ )    4.08 2.18 0.00 !  5
 assign (resid 578 and name   hh )(resid 590 and name hd++ )    5.50 3.60 0.00 !  2
 assign (resid 578 and name   hh )(resid 637 and name  hd+ )    3.35 1.45 0.00 !  7
 assign (resid 578 and name   hh )(resid 637 and name  hg+ )    2.50 0.60 0.00 ! 10
 assign (resid 578 and name   hn )(resid 578 and name   ha )    4.08 2.18 0.00 !  5
 assign (resid 578 and name   hn )(resid 578 and name  hb2 )    3.70 1.80 0.00 !  6
 assign (resid 578 and name   hn )(resid 578 and name  hd+ )    4.08 2.18 0.00 !  5
 assign (resid 578 and name   hn )(resid 577 and name hg2+ )    3.35 1.45 0.00 !  7
 assign (resid 578 and name  hd+ )(resid 564 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 578 and name  hd+ )(resid 564 and name  hb+ )    2.50 0.60 0.00 ! 10
 assign (resid 578 and name  he+ )(resid 564 and name  hb+ )    2.75 0.85 0.00 !  9
 assign (resid 579 and name   ha )(resid 579 and name  hb+ )    3.70 1.80 0.00 !  6
 assign (resid 579 and name   hn )(resid 579 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 579 and name   hn )(resid 578 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 579 and name   hn )(resid 579 and name  hb+ )    3.70 1.80 0.00 !  6
 assign (resid 579 and name   hn )(resid 578 and name  hb1 )    4.97 3.07 0.00 !  3
 assign (resid 579 and name   hn )(resid 562 and name hg++ )    4.97 3.07 0.00 !  3
 assign (resid 580 and name   hn )(resid 623 and name   ha )    4.97 3.07 0.00 !  3
 assign (resid 580 and name   hn )(resid 580 and name   hb )    3.04 1.14 0.00 !  8
 assign (resid 580 and name   hn )(resid 580 and name hg2+ )    3.04 1.14 0.00 !  8
 assign (resid 580 and name   hn )(resid 580 and name hg1+ )    5.50 3.60 0.00 !  2
 assign (resid 580 and name hg2+ )(resid 579 and name   ha )    4.51 2.61 0.00 !  4
assign (resid 580 and name hg1+ )(resid 579 and name   ha )    5.50 3.60 0.00 !  1
 assign (resid 580 and name hg1+ )(resid 562 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 580 and name hg2+ )(resid 562 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 580 and name hg2+ )(resid 562 and name   hb )    3.70 1.80 0.00 !  6
 assign (resid 580 and name hg1+ )(resid 562 and name   hb )    5.50 3.60 0.00 !  2
 assign (resid 580 and name hg1+ )(resid 580 and name   ha )    3.04 1.14 0.00 !  8
 assign (resid 580 and name hg2+ )(resid 580 and name   ha )    3.04 1.14 0.00 !  8
 assign (resid 580 and name hg2+ )(resid 562 and name hg++ )    2.50 0.60 0.00 ! 11
 assign (resid 580 and name hg1+ )(resid 562 and name hg++ )    3.35 1.45 0.00 !  7
 assign (resid 581 and name   hn )(resid 561 and name   hn )    3.70 1.80 0.00 !  6
 assign (resid 581 and name   hn )(resid 581 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 581 and name   hn )(resid 562 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 581 and name   hn )(resid 580 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 581 and name   hn )(resid 581 and name  hb+ )    4.08 2.18 0.00 !  5
 assign (resid 581 and name   hn )(resid 562 and name hg++ )    4.51 2.61 0.00 !  4
 assign (resid 581 and name   hn )(resid 580 and name hg2+ )    5.50 3.60 0.00 !  2
 assign (resid 581 and name   hn )(resid 580 and name hg1+ )    3.35 1.45 0.00 !  7
 assign (resid 582 and name   hn )(resid 581 and name   ha )    4.08 2.18 0.00 !  5
 assign (resid 582 and name   hn )(resid 582 and name  ha+ )    5.50 3.60 0.00 !  2
 assign (resid 583 and name   hb+ )(resid 583 and name   ha )   4.97 3.07 0.00 !  3
 assign (resid 583 and name   hn )(resid 582 and name   ha+ )   4.51 2.61 0.00 !  4
 assign (resid 583 and name   hn )(resid 583 and name  hb+ )    3.35 1.45 0.00 !  7
 assign (resid 583 and name   hn )(resid 580 and name hg2+ )    4.08 2.18 0.00 !  5
 assign (resid 584 and name   ha )(resid 584 and name  hb+ )    2.75 0.85 0.00 !  9
 assign (resid 584 and name   hn )(resid 582 and name   hn )    5.50 3.60 0.00 !  2
 assign (resid 584 and name   hn )(resid 585 and name   hn )    5.50 3.60 0.00 !  2
 assign (resid 585 and name   hn )(resid 585 and name   ha )    3.70 1.80 0.00 !  6
 assign (resid 586 and name   hd1 )(resid 586 and name  hb+ )   3.70 1.80 0.00 !  6
 assign (resid 586 and name   hn )(resid 585 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 586 and name   hn )(resid 586 and name   ha )    4.08 2.18 0.00 !  5
 assign (resid 586 and name   hn )(resid 585 and name  hb+ )    4.51 2.61 0.00 !  4
 assign (resid 586 and name   hn )(resid 586 and name  hb+ )    4.51 2.61 0.00 !  4
 assign (resid 586 and name  he1 )(resid 622 and name   ha )    2.75 0.85 0.00 !  9
 assign (resid 586 and name  he1 )(resid 580 and name   hb )    4.97 3.07 0.00 !  3
 assign (resid 586 and name  he1 )(resid 615 and name  hb+ )    4.51 2.61 0.00 !  4
 assign (resid 586 and name  he1 )(resid 622 and name  hb1 )    4.97 3.07 0.00 !  3
 assign (resid 586 and name  he3 )(resid 586 and name  hb+ )    3.35 1.45 0.00 !  7
 assign (resid 586 and name  he1 )(resid 580 and name hg1+ )    3.70 1.80 0.00 !  6
 assign (resid 586 and name  hh2 )(resid 615 and name  hb+ )    4.97 3.07 0.00 !  3
 assign (resid 586 and name  hz3 )(resid 615 and name  hb+ )    2.75 0.85 0.00 !  9
 assign (resid 587 and name   hn )(resid 586 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 587 and name   hn )(resid 587 and name hg++ )    4.51 2.61 0.00 !  4
 assign (resid 588 and name   ha )(resid 588 and name hg++ )    3.70 1.80 0.00 !  6
 assign (resid 588 and name   hb )(resid 588 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 588 and name   hb )(resid 586 and name  hz3 )    5.50 3.60 0.00 !  2
 assign (resid 588 and name   hn )(resid 615 and name   hn )    4.08 2.18 0.00 !  5
 assign (resid 588 and name   hn )(resid 614 and name   ha )    5.50 3.60 0.00 !  1
 assign (resid 588 and name   hn )(resid 587 and name   ha )    3.35 1.45 0.00 !  7
 assign (resid 588 and name   hn )(resid 588 and name   ha )    4.97 3.07 0.00 !  3
 assign (resid 588 and name   hn )(resid 615 and name  hb+ )    4.97 3.07 0.00 !  3
 assign (resid 588 and name   hn )(resid 586 and name  he3 )    3.70 1.80 0.00 !  6
 assign (resid 588 and name   hn )(resid 586 and name  hz3 )    5.50 3.60 0.00 !  2
 assign (resid 588 and name hg++ )(resid 586 and name  hz3 )    3.35 1.45 0.00 !  7
 assign (resid 589 and name   hn )(resid 589 and name   hb )    4.08 2.18 0.00 !  5
 assign (resid 589 and name   hn )(resid 640 and name   hn )    3.70 1.80 0.00 !  6
 assign (resid 590 and name   ha )(resid 590 and name hd++ )    4.08 2.18 0.00 !  5
 assign (resid 590 and name   hn )(resid 590 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 590 and name   hn )(resid 590 and name   hg )    4.08 2.18 0.00 !  5
 assign (resid 590 and name   hn )(resid 589 and name   ha )    3.04 1.14 0.00 !  8
 assign (resid 590 and name   hn )(resid 614 and name   ha )    4.97 3.07 0.00 !  3
 assign (resid 590 and name   hn )(resid 613 and name   hn )    4.08 2.18 0.00 !  5
 assign (resid 590 and name   hn )(resid 590 and name  hb+ )    3.35 1.45 0.00 !  7
 assign (resid 590 and name   hn )(resid 590 and name hd++ )    4.51 2.61 0.00 !  4
 assign (resid 590 and name   hn )(resid 589 and name hg2+ )    3.70 1.80 0.00 !  6
 assign (resid 591 and name   hn )(resid 639 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 592 and name   ha )(resid 592 and name  hb1 )    3.35 1.45 0.00 !  7
 assign (resid 592 and name   ha )(resid 592 and name hd++ )    3.04 1.14 0.00 !  8
 assign (resid 592 and name   hn )(resid 592 and name   ha )    3.70 1.80 0.00 !  6
 assign (resid 592 and name   hn )(resid 612 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 592 and name   hn )(resid 591 and name  ha+ )    2.50 0.60 0.00 ! 11
 !assign (resid 592 and name   hn )(resid 592 and name  hb2 )    3.04 1.14 0.00 !  8
 assign (resid 592 and name   hn )(resid 592 and name hd++ )    3.04 1.14 0.00 !  8
 assign (resid 593 and name   hn )(resid 593 and name  hb2 )    4.08 2.18 0.00 !  5
 assign (resid 593 and name   hn )(resid 593 and name hd2+ )    4.08 2.18 0.00 !  5
 assign (resid 593 and name hd2+ )(resid 635 and name  hb+ )    3.04 1.14 0.00 !  8
 assign (resid 593 and name hd2+ )(resid 593 and name  hb2 )    3.04 1.14 0.00 !  8
 assign (resid 593 and name hd2+ )(resid 592 and name   ha )    5.50 3.60 0.00 !  2
 assign (resid 594 and name   hn )(resid 593 and name   ha )    3.04 1.14 0.00 !  8
 assign (resid 594 and name   hn )(resid 594 and name  ha+ )    3.35 1.45 0.00 !  7
! assign (resid 594 and name   hn )(resid 593 and name  hb1 )    5.50 3.60 0.00 !  2
 assign (resid 595 and name   hn )(resid 596 and name   hn )    4.08 2.18 0.00 !  5
! assign (resid 595 and name   hn )(resid 595 and name  ha+ )    3.35 1.45 0.00 !  7
 assign (resid 596 and name   hn )(resid 596 and name   ha )    3.35 1.45 0.00 !  7
 assign (resid 596 and name   hn )(resid 595 and name  ha+ )    4.51 2.61 0.00 !  4
 assign (resid 596 and name   hn )(resid 596 and name  hb2 )    3.04 1.14 0.00 !  8
 assign (resid 596 and name   hn )(resid 596 and name  hg+ )    2.75 0.85 0.00 !  9
 assign (resid 596 and name he2+ )(resid 596 and name   ha )    4.97 3.07 0.00 !  3
 assign (resid 596 and name he2+ )(resid 596 and name  hg+ )    3.35 1.45 0.00 !  7
 assign (resid 597 and name   ha )(resid 610 and name   ha )    3.35 1.45 0.00 !  7
 assign (resid 597 and name   ha )(resid 597 and name  hb+ )    2.50 0.60 0.00 ! 11
 assign (resid 597 and name   hn )(resid 597 and name   ha )    4.08 2.18 0.00 !  5
 assign (resid 597 and name   hn )(resid 597 and name  hb+ )    5.50 3.60 0.00 !  2
 assign (resid 597 and name   hn )(resid 629 and name  hb2 )    4.51 2.61 0.00 !  4
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 assign (resid 598 and name   hn )(resid 597 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 598 and name   hn )(resid 598 and name   hb )    2.75 0.85 0.00 !  9
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 assign (resid 598 and name hg2+ )(resid 598 and name   ha )    2.50 0.60 0.00 ! 10
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! assign (resid 599 and name he2+ )(resid 599 and name  hg+ )    4.97 3.07 0.00 !  3
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! assign (resid 603 and name   hn )(resid 602 and name  hb1 )    4.51 2.61 0.00 !  4
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! assign (resid 613 and name   hn )(resid 613 and name hg2+ )    3.70 1.80 0.00 !  6
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 assign (resid 642 and name   hn )(resid 641 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 642 and name   hn )(resid 642 and name  hb+ )    3.04 1.14 0.00 !  8
 assign (resid 643 and name   hb )(resid 643 and name   ha )    3.70 1.80 0.00 !  6
 assign (resid 643 and name   hn )(resid 642 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 643 and name   hn )(resid 644 and name   hn )    4.97 3.07 0.00 !  3
 assign (resid 643 and name   hn )(resid 643 and name   ha )    3.70 1.80 0.00 !  6
 assign (resid 643 and name   hn )(resid 643 and name   hb )    5.50 3.60 0.00 !  1
 assign (resid 643 and name   hn )(resid 642 and name  hb+ )    2.75 0.85 0.00 !  9
 assign (resid 643 and name   hn )(resid 643 and name hg2+ )    2.50 0.60 0.00 ! 10
 assign (resid 643 and name hg2+ )(resid 643 and name   ha )    2.75 0.85 0.00 !  9
 assign (resid 644 and name   hn )(resid 643 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 644 and name   hn )(resid 644 and name  ha+ )    2.50 0.60 0.00 ! 11
 assign (resid 561 and name   hn )(resid 561 and name  hb+ )    4.51 2.61 0.00 !  4
 assign (resid 561 and name   hn )(resid 561 and name   ha )    4.51 2.61 0.00 !  4
 assign (resid 562 and name   hn )(resid 561 and name  hb+ )    3.35 1.45 0.00 !  7
 assign (resid 564 and name   hn )(resid 564 and name  hb+ )    3.04 1.14 0.00 !  8
 assign (resid 565 and name   hn )(resid 564 and name   ha )    2.50 0.60 0.00 ! 10
 assign (resid 565 and name   hn )(resid 564 and name  hb+ )    4.51 2.61 0.00 !  4
! assign (resid 571 and name   hn )(resid 570 and name  hb+ )    4.97 3.07 0.00 !  3
! assign (resid 575 and name   hn )(resid 575 and name  hb+ )    3.70 1.80 0.00 !  6
 assign (resid 589 and name   hn )(resid 589 and name hg2+ )    4.51 2.61 0.00 !  4
 assign (resid 615 and name   hn )(resid 589 and name   ha )    5.50 3.60 0.00 !  2
 assign (resid 593 and name   hn )(resid 593 and name   ha )    3.70 1.80 0.00 !  6
 assign (resid 598 and name   hn )(resid 598 and name   ha )    4.97 3.07 0.00 !  3
 assign (resid 605 and name   hn )(resid 605 and name   ha )    5.50 3.60 0.00 !  2
 assign (resid 606 and name   hn )(resid 605 and name   ha )    2.75 0.85 0.00 !  9
 assign (resid 620 and name   hn )(resid 620 and name   ha )    4.97 3.07 0.00 !  3
 assign (resid 621 and name   hn )(resid 621 and name  ha+ )    3.35 1.45 0.00 !  7
 assign (resid 622 and name   hn )(resid 621 and name  ha+ )    4.08 2.18 0.00 !  5
 assign (resid 627 and name   hn )(resid 627 and name   hb )    4.51 2.61 0.00 !  4
! assign (resid 641 and name   hn )(resid 641 and name  hb1 )    4.51 2.61 0.00 !  4
!
! These constraints added 21 August 2000
 assign (resid 642 and name   hn )        (resid 643 and name   hn ) 5.50 3.60 0.00 !  4
 assign (resid 642 and name   hn )        (resid 641 and name   hn ) 6.00 3.60 0.00 !  3
 assign (resid 642 and name   hn )        (resid 641 and name  hb1 ) 5.50 3.60 0.00 !  4
 assign (resid 642 and name   hn )        (resid 641 and name  hb2 ) 5.50 3.60 0.00 !  4
 assign (resid 588 and name   hn )        (resid 588 and name   hb ) 3.35 1.45 0.00 !  7
 assign (resid 588 and name   hn )        (resid 588 and name hg++ ) 3.35 1.45 0.00 !  7
 assign (resid 599 and name   hn )        (resid 598 and name   hb ) 6.00 3.60 0.00 !  2
 assign (resid 599 and name   hn )        (resid 599 and name  hg+ ) 6.00 3.60 0.00 !  2
 assign (resid 566 and name   hn )        (resid 566 and name  hd+ ) 6.00 3.60 0.00 !  3
 assign (resid 566 and name   hn )        (resid 565 and name hg1+ ) 3.04 1.14 0.00 !  8
 assign (resid 566 and name   hn )        (resid 576 and name hg1+ ) 6.00 3.60 0.00 !  2
 assign (resid 586 and name  he1 )        (resid 586 and name  hz2 ) 2.75 0.85 0.00 !  9
 assign (resid 586 and name  he1 )        (resid 617 and name  hb+ ) 6.00 3.60 0.00 !  2
 assign (resid 606 and name   hn )        (resid 607 and name   hn ) 6.00 3.60 0.00 !  3
 assign (resid 606 and name   hn )        (resid 605 and name  hb+ ) 3.04 1.14 0.00 !  8
 assign (resid 580 and name   hn )        (resid 579 and name   hn ) 6.00 3.60 0.00 !  3
 assign (resid 580 and name   hn )        (resid 579 and name   ha ) 2.50 0.60 0.00 ! 11
 assign (resid 580 and name   hn )        (resid 580 and name   ha ) 4.51 2.61 0.00 !  5
 assign (resid 580 and name   hn )        (resid 579 and name  hb2 ) 6.00 3.60 0.00 !  3
 assign (resid 602 and name  he1 )        (resid 625 and name   hn ) 6.00 3.60 0.00 !  3
 assign (resid 602 and name  he1 )        (resid 602 and name  hz2 ) 3.04 1.14 0.00 !  8
 assign (resid 602 and name  he1 )        (resid 602 and name  hd1 ) 2.50 0.60 0.00 ! 10
 assign (resid 602 and name  he1 )        (resid 603 and name  hb+ ) 6.00 3.60 0.00 !  2
 assign (resid 613 and name   hn )        (resid 614 and name   hn ) 6.00 3.60 0.00 !  1
 assign (resid 613 and name   hn )        (resid 612 and name   hb ) 5.50 3.60 0.00 !  4
 assign (resid 613 and name   hn )        (resid 590 and name   hg ) 6.00 3.60 0.00 !  2
 assign (resid 613 and name   hn )        (resid 590 and name  hb1 ) 4.51 2.61 0.00 !  5
 assign (resid 578 and name   hn )        (resid 578 and name  he+ ) 6.00 3.60 0.00 !  1
 assign (resid 578 and name   hn )        (resid 577 and name   ha ) 3.04 1.14 0.00 !  8
 assign (resid 590 and name   hn )        (resid 614 and name   hn ) 6.00 3.60 0.00 !  1
 assign (resid 590 and name   hn )        (resid 612 and name   ha ) 6.00 3.60 0.00 !  1
 assign (resid 590 and name   hn )        (resid 591 and name   ha+ ) 6.00 3.60 0.00 !  1
 assign (resid 615 and name   hn )        (resid 614 and name   hn ) 6.00 3.60 0.00 !  2
 assign (resid 592 and name   hn )        (resid 593 and name   hn ) 6.00 3.60 0.00 !  1
 assign (resid 592 and name   hn )        (resid 592 and name  hb1 ) 3.35 1.45 0.00 !  7
 assign (resid 592 and name   hn )        (resid 613 and name hg2+ ) 6.00 3.60 0.00 !  2
 assign (resid 564 and name   hn )        (resid 563 and name  hb+ ) 3.04 1.14 0.00 !  8
 assign (resid 564 and name   hn )        (resid 565 and name hg2+ ) 5.50 3.60 0.00 !  4
 assign (resid 570 and name   hn )        (resid 573 and name   hn ) 6.00 3.60 0.00 !  3
 assign (resid 570 and name   hn )        (resid 574 and name   ha ) 5.50 3.60 0.00 !  4
 assign (resid 570 and name   hn )        (resid 574 and name  hb+ ) 6.00 3.60 0.00 !  3
 assign (resid 570 and name   hn )        (resid 569 and name  hb+ ) 3.70 1.80 0.00 !  6
 assign (resid 628 and name   hn )        (resid 574 and name  he+ ) 6.00 3.60 0.00 !  2
 assign (resid 628 and name   hn )        (resid 627 and name   hb ) 6.00 3.60 0.00 !  2
 assign (resid 635 and name   hn )        (resid 593 and name hd2+ ) 6.00 3.60 0.00 !  1
 assign (resid 589 and name   hn )        (resid 639 and name   ha ) 5.50 3.60 0.00 !  4
 assign (resid 589 and name   hn )        (resid 588 and name   ha ) 2.50 0.60 0.00 ! 11
 assign (resid 589 and name   hn )        (resid 641 and name   ha ) 4.51 2.61 0.00 !  5
 assign (resid 589 and name   hn )        (resid 640 and name   hb ) 6.00 3.60 0.00 !  1
 assign (resid 589 and name   hn )        (resid 640 and name hg2+ ) 6.00 3.60 0.00 !  2
 assign (resid 612 and name   hn )        (resid 611 and name   hn ) 5.50 3.60 0.00 !  4
 assign (resid 612 and name   hn )        (resid 592 and name hd++ ) 5.50 3.60 0.00 !  4
 assign (resid 563 and name   hn )        (resid 578 and name   ha ) 6.00 3.60 0.00 !  3
 assign (resid 563 and name   hn )        (resid 580 and name   ha ) 4.51 2.61 0.00 !  5
 assign (resid 563 and name   hn )        (resid 579 and name  hb2 ) 6.00 3.60 0.00 !  2
 assign (resid 563 and name   hn )        (resid 562 and name   hb ) 4.51 2.61 0.00 !  5
 assign (resid 563 and name   hn )        (resid 562 and name hg++ ) 2.75 0.85 0.00 !  9
 assign (resid 563 and name   hn )        (resid 580 and name hg2+ ) 6.00 3.60 0.00 !  2
 assign (resid 605 and name   hn )        (resid 604 and name   hn ) 6.00 3.60 0.00 !  2
 assign (resid 605 and name   hn )        (resid 615 and name   ha ) 6.00 3.60 0.00 !  3
 assign (resid 605 and name   hn )        (resid 618 and name  hb+ ) 6.00 3.60 0.00 !  2
 assign (resid 565 and name   hn )        (resid 566 and name   hn ) 6.00 3.60 0.00 !  2
 assign (resid 565 and name   hn )        (resid 578 and name   ha ) 6.00 3.60 0.00 !  3
 assign (resid 565 and name   hn )        (resid 576 and name   ha ) 6.00 3.60 0.00 !  2
 assign (resid 565 and name   hn )        (resid 565 and name   ha ) 3.70 1.80 0.00 !  6
 assign (resid 565 and name   hn )        (resid 577 and name   hb ) 5.50 3.60 0.00 !  4
 assign (resid 624 and name   hn )        (resid 623 and name   hn ) 6.00 3.60 0.00 !  2
 assign (resid 624 and name   hn )        (resid 624 and name  he+ ) 6.00 3.60 0.00 !  2
 assign (resid 624 and name   hn )        (resid 578 and name  hb2 ) 6.00 3.60 0.00 !  3
 assign (resid 571 and name   hn )        (resid 570 and name  hd1 ) 6.00 3.60 0.00 !  2
 assign (resid 627 and name   hn )        (resid 628 and name   hn ) 6.00 3.60 0.00 !  1
 assign (resid 627 and name   hn )        (resid 601 and name   ha ) 4.51 2.61 0.00 !  5
 assign (resid 627 and name   hn )        (resid 626 and name   hb ) 6.00 3.60 0.00 !  3
 assign (resid 627 and name   hn )        (resid 598 and name hg1+ ) 5.50 3.60 0.00 !  4
 assign (resid 639 and name   hn )        (resid 638 and name   hn ) 5.50 3.60 0.00 !  4
 assign (resid 639 and name   hn )        (resid 578 and name  he+ ) 6.00 3.60 0.00 !  2
 assign (resid 598 and name   hn )        (resid 599 and name   hn ) 6.00 3.60 0.00 !  2
 assign (resid 616 and name   hn )        (resid 604 and name   ha ) 6.00 3.60 0.00 !  2
 assign (resid 616 and name   hn )        (resid 616 and name  hd+ ) 6.00 3.60 0.00 !  1
 assign (resid 596 and name   hn )        (resid 592 and name  hb2 ) 6.00 3.60 0.00 !  2
 assign (resid 577 and name   hn )        (resid 576 and name   hb ) 3.35 1.45 0.00 !  7
 assign (resid 577 and name   hn )        (resid 567 and name  ha+ ) 2.50 0.60 0.00 ! 10
 assign (resid 577 and name   hn )        (resid 567 and name   hn ) 6.00 3.60 0.00 !  3
 assign (resid 629 and name   hn )        (resid 599 and name  hb2 ) 6.00 3.60 0.00 !  1
 assign (resid 576 and name   hn )        (resid 628 and name  he+ ) 6.00 3.60 0.00 !  3
 assign (resid 576 and name   hn )        (resid 628 and name  hd+ ) 6.00 3.60 0.00 !  1
 assign (resid 576 and name   hn )        (resid 627 and name   ha ) 5.50 3.60 0.00 !  4
 assign (resid 576 and name   hn )        (resid 575 and name  hb2 ) 4.51 2.61 0.00 !  5
 assign (resid 585 and name   hn )        (resid 586 and name   hn ) 6.00 3.60 0.00 !  3
 assign (resid 585 and name   hn )        (resid 584 and name   ha ) 4.51 2.61 0.00 !  5
 assign (resid 585 and name   hn )        (resid 585 and name  hb+ ) 3.04 1.14 0.00 !  8
 assign (resid 575 and name   hn )        (resid 570 and name   hn ) 6.00 3.60 0.00 !  2
 assign (resid 575 and name   hn )        (resid 570 and name  he3 ) 6.00 3.60 0.00 !  3
 assign (resid 575 and name   hn )        (resid 570 and name  hz3 ) 6.00 3.60 0.00 !  3
 assign (resid 569 and name   hn )        (resid 568 and name   hn ) 6.00 3.60 0.00 !  2
 assign (resid 569 and name   hn )        (resid 569 and name  hb+ ) 6.00 3.60 0.00 !  3
 assign (resid 569 and name   hn )        (resid 569 and name  hg+ ) 4.51 2.61 0.00 !  5
 assign (resid 569 and name   hn )        (resid 568 and name  hb1 ) 3.70 1.80 0.00 !  6
 assign (resid 573 and name   hn )        (resid 570 and name  he3 ) 6.00 3.60 0.00 !  2
 assign (resid 573 and name   hn )        (resid 573 and name  hb+ ) 3.35 1.45 0.00 !  7
 assign (resid 607 and name   hn )        (resid 616 and name   hn ) 6.00 3.60 0.00 !  2
 assign (resid 618 and name   hn )        (resid 605 and name   hn ) 6.00 3.60 0.00 !  2
 assign (resid 618 and name   hn )        (resid 617 and name  hb+ ) 3.70 1.80 0.00 !  6
 assign (resid 584 and name   hn )        (resid 584 and name   ha ) 5.50 3.60 0.00 !  4
 assign (resid 584 and name   hn )        (resid 583 and name   hn ) 6.00 3.60 0.00 !  1
 assign (resid 593 and name   hn )        (resid 596 and name   hn ) 6.00 3.60 0.00 !  2
 assign (resid 593 and name   hn )        (resid 637 and name   ha ) 6.00 3.60 0.00 !  2
 assign (resid 593 and name   hn )        (resid 592 and name   ha ) 2.75 0.85 0.00 !  9
 assign (resid 593 and name   hn )        (resid 596 and name  hg+ ) 6.00 3.60 0.00 !  1
 assign (resid 593 and name   hn )        (resid 593 and name  hb1 ) 4.51 2.61 0.00 !  5
 assign (resid 593 and name   hn )        (resid 596 and name  hb2 ) 4.51 2.61 0.00 !  5
 assign (resid 593 and name   hn )        (resid 592 and name  hb2 ) 4.51 2.61 0.00 !  5
 assign (resid 593 and name   hn )        (resid 592 and name hd++ ) 4.51 2.61 0.00 !  5
 assign (resid 586 and name   hn )        (resid 584 and name   ha ) 6.00 3.60 0.00 !  1
 assign (resid 586 and name   hn )        (resid 617 and name  hd+ ) 5.50 3.60 0.00 !  4
 assign (resid 586 and name   hn )        (resid 617 and name  hg+ ) 3.35 1.45 0.00 !  7
 assign (resid 586 and name   hn )        (resid 587 and name hg++ ) 6.00 3.60 0.00 !  1
 assign (resid 587 and name   hn )        (resid 586 and name   hn ) 6.00 3.60 0.00 !  2
 assign (resid 587 and name   hn )        (resid 588 and name   ha ) 6.00 3.60 0.00 !  1
 assign (resid 587 and name   hn )        (resid 586 and name  hb+ ) 3.35 1.45 0.00 !  7
 assign (resid 614 and name   hn )        (resid 607 and name   hb ) 5.50 3.60 0.00 !  4
 assign (resid 614 and name   hn )        (resid 613 and name   hb ) 5.50 3.60 0.00 !  4
 assign (resid 566 and name   he )        (resid 566 and name   ha ) 6.00 3.60 0.00 !  2
 assign (resid 626 and name   hn )        (resid 578 and name  he+ ) 6.00 3.60 0.00 !  2
 assign (resid 626 and name   hn )        (resid 578 and name  hd+ ) 6.00 3.60 0.00 !  2
 assign (resid 626 and name   hn )        (resid 575 and name   ha ) 6.00 3.60 0.00 !  2
 assign (resid 626 and name   hn )        (resid 576 and name   hb ) 6.00 3.60 0.00 !  1
 assign (resid 602 and name   hn )        (resid 603 and name   hn ) 6.00 3.60 0.00 !  1
 assign (resid 602 and name   hn )        (resid 624 and name  hd+ ) 6.00 3.60 0.00 !  1
 assign (resid 602 and name   hn )        (resid 602 and name  hb1 ) 6.00 3.60 0.00 !  3
 assign (resid 602 and name   hn )        (resid 624 and name  hb+ ) 6.00 3.60 0.00 !  1
 assign (resid 602 and name   hn )        (resid 625 and name  ha+ ) 6.00 3.60 0.00 !  2
 assign (resid 644 and name   hn )        (resid 643 and name   hb ) 3.70 1.80 0.00 !  6
 assign (resid 644 and name   hn )        (resid 643 and name hg2+ ) 5.50 3.60 0.00 !  4
 assign (resid 622 and name   hn )        (resid 623 and name  hb+ ) 4.51 2.61 0.00 !  5
 assign (resid 560 and name   hn )        (resid 560 and name   ha ) 3.35 1.45 0.00 !  7
 assign (resid 579 and name   hn )        (resid 562 and name   ha ) 6.00 3.60 0.00 !  3
 assign (resid 608 and name   hn )        (resid 607 and name   hn ) 6.00 3.60 0.00 !  3
 assign (resid 608 and name   hn )        (resid 609 and name   hn ) 6.00 3.60 0.00 !  3
 assign (resid 608 and name   hn )        (resid 613 and name hg1+ ) 6.00 3.60 0.00 !  3
 assign (resid 633 and name   hn )        (resid 631 and name   hn ) 6.00 3.60 0.00 !  1
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 assign (resid 633 and name   hn )        (resid 632 and name  ha+ ) 3.70 1.80 0.00 !  6
 assign (resid 633 and name   hn )        (resid 630 and name  hg+ ) 4.51 2.61 0.00 !  5
 assign (resid 620 and name   hn )        (resid 620 and name  hb+ ) 3.70 1.80 0.00 !  6
 assign (resid 620 and name   hn )        (resid 621 and name  ha+ ) 6.00 3.60 0.00 !  1
 assign (resid 574 and name   hn )        (resid 570 and name  he3 ) 6.00 3.60 0.00 !  1
 assign (resid 574 and name   hn )        (resid 570 and name  hz3 ) 6.00 3.60 0.00 !  1
 assign (resid 574 and name   hn )        (resid 628 and name  hd+ ) 6.00 3.60 0.00 !  1
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 assign (resid 574 and name   hn )        (resid 627 and name hg2+ ) 4.51 2.61 0.00 !  5
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 assign (resid 610 and name   hn )        (resid 598 and name   hn ) 6.00 3.60 0.00 !  1
 assign (resid 593 and name hd2+ )        (resid 596 and name he2+ ) 5.50 3.60 0.00 !  4
 assign (resid 593 and name hd2+ )        (resid 596 and name he2+ ) 5.50 3.60 0.00 !  4
 assign (resid 561 and name   hn )        (resid 562 and name hg++ ) 6.00 3.60 0.00 !  1
 assign (resid 567 and name   hn )        (resid 576 and name hg1+ ) 5.50 3.60 0.00 !  4
 assign (resid 567 and name   hn )        (resid 565 and name   hn ) 6.00 3.60 0.00 !  2
 assign (resid 567 and name   hn )        (resid 575 and name  hb1 ) 5.50 3.60 0.00 !  4
 assign (resid 595 and name   hn )        (resid 594 and name   hn ) 3.70 1.80 0.00 !  6
 assign (resid 631 and name   hn )        (resid 629 and name   ha ) 6.00 3.60 0.00 !  2
 assign (resid 631 and name   hn )        (resid 633 and name  hb+ ) 6.00 3.60 0.00 !  1
 assign (resid 631 and name   hn )        (resid 629 and name  hb1 ) 5.50 3.60 0.00 !  4
 assign (resid 631 and name   hn )        (resid 630 and name  hg+ ) 3.70 1.80 0.00 !  6
 assign (resid 604 and name   hn )        (resid 602 and name   hn ) 6.00 3.60 0.00 !  2
 assign (resid 604 and name   hn )        (resid 602 and name   ha ) 3.70 1.80 0.00 !  6
 assign (resid 604 and name   hn )        (resid 602 and name  hb2 ) 6.00 3.60 0.00 !  2
 assign (resid 604 and name   hn )        (resid 624 and name  hb+ ) 5.50 3.60 0.00 !  4
 assign (resid 604 and name   hn )        (resid 624 and name   ha ) 6.00 3.60 0.00 !  1
 assign (resid 622 and name hd2+ )        (resid 622 and name   hn ) 5.50 3.60 0.00 !  4
 assign (resid 623 and name   hn )        (resid 621 and name  ha+ ) 6.00 3.60 0.00 !  2
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 assign (resid 603 and name   hn )        (resid 604 and name   ha ) 6.00 3.60 0.00 !  1
 assign (resid 640 and name   hn )        (resid 641 and name   hn ) 6.00 3.60 0.00 !  2
 assign (resid 640 and name   hn )        (resid 639 and name   hn ) 4.51 2.61 0.00 !  5
 assign (resid 640 and name   hn )        (resid 590 and name   ha ) 4.51 2.61 0.00 !  5
 assign (resid 640 and name   hn )        (resid 589 and name   hb ) 5.50 3.60 0.00 !  4
 assign (resid 640 and name   hn )        (resid 639 and name  hb+ ) 3.04 1.14 0.00 !  8
 assign (resid 601 and name   hn )        (resid 602 and name   hn ) 6.00 3.60 0.00 !  2
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 assign (resid 601 and name   hn )        (resid 602 and name  he3 ) 6.00 3.60 0.00 !  2
 assign (resid 601 and name   hn )        (resid 601 and name  hb+ ) 4.51 2.61 0.00 !  5
 assign (resid 601 and name   hn )        (resid 626 and name hg++ ) 6.00 3.60 0.00 !  1
 assign (resid 631 and name hd2+ )        (resid 631 and name   ha ) 6.00 3.60 0.00 !  1
 assign (resid 631 and name hd2+ )        (resid 631 and name  hb2 ) 2.75 0.85 0.00 !  9
 assign (resid 611 and name   hn )        (resid 597 and name   ha ) 6.00 3.60 0.00 !  1
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 assign (resid 591 and name   hn )        (resid 590 and name   hn ) 6.00 3.60 0.00 !  1
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 assign (resid 591 and name   hn )        (resid 591 and name  ha+ ) 2.50 0.60 0.00 ! 10
 assign (resid 591 and name   hn )        (resid 590 and name  hb+ ) 3.35 1.45 0.00 !  7
 assign (resid 591 and name   hn )        (resid 592 and name hd++ ) 4.51 2.61 0.00 !  5
 assign (resid 591 and name   hn )        (resid 590 and name   hg ) 6.00 3.60 0.00 !  2
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 assign (resid 597 and name   hn )        (resid 596 and name   hn ) 6.00 3.60 0.00 !  1
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 assign (resid 583 and name   hn )        (resid 561 and name   hn ) 6.00 3.60 0.00 !  1
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 assign (resid 575 and name hd2+ )        (resid 570 and name  hz3 ) 4.51 2.61 0.00 !  5
 assign (resid 596 and name he2+ )        (resid 593 and name  hb2 ) 6.00 3.60 0.00 !  1
 assign (resid 596 and name he2+ )        (resid 637 and name  hd+ ) 6.00 3.60 0.00 !  1
 assign (resid 596 and name he2+ )        (resid 637 and name  hb+ ) 6.00 3.60 0.00 !  1
 assign (resid 596 and name he2+ )        (resid 635 and name  hb+ ) 6.00 3.60 0.00 !  1
 assign (resid 603 and name hd++ )        (resid 624 and name   ha ) 5.50 3.60 0.00 !  4
 assign (resid 572 and name   hn )        (resid 573 and name   ha ) 6.00 3.60 0.00 !  1
 assign (resid 572 and name   hn )        (resid 571 and name   ha ) 6.00 3.60 0.00 !  3
 assign (resid 572 and name   hn )        (resid 570 and name  hb2 ) 5.50 3.60 0.00 !  4
 assign (resid 618 and name hd++ )        (resid 618 and name   ha ) 5.50 3.60 0.00 !  4
 assign (resid 625 and name   hn )        (resid 602 and name  hd1 ) 6.00 3.60 0.00 !  3
 assign (resid 625 and name   hn )        (resid 624 and name  hd+ ) 4.51 2.61 0.00 !  5
 assign (resid 619 and name   hn )        (resid 617 and name   ha ) 5.50 3.60 0.00 !  4
 assign (resid 619 and name   hn )        (resid 617 and name  hb+ ) 3.70 1.80 0.00 !  6
 assign (resid 632 and name   hn )        (resid 631 and name  hb2 ) 6.00 3.60 0.00 !  2
 assign (resid 573 and name   he )        (resid 629 and name  he+ ) 6.00 3.60 0.00 !  2
 assign (resid 573 and name   he )        (resid 573 and name  hd+ ) 4.51 2.61 0.00 !  5
 assign (resid 573 and name   he )        (resid 573 and name  hb+ ) 6.00 3.60 0.00 !  3
 assign (resid 616 and name   he )        (resid 616 and name  hd+ ) 3.04 1.14 0.00 !  8
 assign (resid 616 and name   he )        (resid 616 and name  hg+ ) 4.51 2.61 0.00 !  5
 assign (resid 613 and name   hn )        (resid 613 and name hg1+ ) 3.35 1.45 0.00 !  7
! assign (resid 565 and name   hn )        (resid 565 and name hg1+ ) 3.04 1.14 0.00 !  8
 assign (resid 593 and name hd2+ )        (resid 593 and name  hb1 ) 4.51 2.61 0.00 !  5
 assign (resid 603 and name   hn )        (resid 602 and name  hb2 ) 3.70 1.80 0.00 !  6
 assign (resid 594 and name   hn )        (resid 593 and name  hb2 ) 6.00 3.60 0.00 !  3
 assign (resid 575 and name hd2+ )        (resid 575 and name  hb2 ) 3.70 1.80 0.00 !  6
 assign (resid 565 and name   hn )        (resid 565 and name hg2+ ) 3.70 1.80 0.00 !  6
 assign (resid 567 and name   hn )        (resid 576 and name hg2+ ) 6.00 3.60 0.00 !  3
 assign (resid 613 and name   hn )        (resid 613 and name hg2+ ) 3.70 1.80 0.00 !  6
! Another set of new constraints
 assign (resid 644 and name   hn )        (resid 642 and name  hb+ ) 4.08 2.18 0.00 !  5
 assign (resid 573 and name   hn )        (resid 570 and name  hb2 ) 4.51 2.61 0.00 !  4
 assign (resid 632 and name   hn )        (resid 630 and name  hg+ ) 5.50 3.60 0.00 !  2
 assign (resid 624 and name  hd+ )        (resid 623 and name   ha ) 5.50 3.60 0.00 !  2
 assign (resid 629 and name  he+ )        (resid 573 and name  hd+ ) 4.51 2.61 0.00 !  4
 assign (resid 570 and name  he3 )        (resid 573 and name  hg+ ) 3.70 1.80 0.00 !  6
 assign (resid 628 and name  he+ )        (resid 576 and name   hb ) 3.04 1.14 0.00 !  8
 assign (resid 561 and name   hn )        (resid 580 and name hg1+ ) 4.51 2.61 0.00 !  4
 assign (resid 574 and name   hz )        (resid 636 and name   ha ) 4.51 2.61 0.00 !  4
 assign (resid 628 and name  hd+ )        (resid 598 and name   ha ) 3.70 1.80 0.00 !  6
 assign (resid 595 and name   hn )        (resid 595 and name  ha+ ) 2.75 0.85 0.00 !  9
 assign (resid 597 and name   ha )        (resid 598 and name hg2+ ) 4.51 2.61 0.00 !  4
 assign (resid 586 and name  hz3 )        (resid 586 and name  he3 ) 2.75 0.85 0.00 !  9
 assign (resid 602 and name  he3 )        (resid 601 and name   ha ) 3.35 1.45 0.00 !  7
 assign (resid 574 and name  hd+ )        (resid 637 and name  hd+ ) 4.97 3.07 0.00 !  3
 assign (resid 624 and name  hd+ )        (resid 601 and name  hb+ ) 4.97 3.07 0.00 !  3
 assign (resid 586 and name  hz2 )        (resid 580 and name hg2+ ) 5.50 3.60 0.00 !  2
 assign (resid 629 and name  he+ )        (resid 599 and name  hb2 ) 4.97 3.07 0.00 !  3
 assign (resid 600 and name   hn )        (resid 598 and name hg1+ ) 3.35 1.45 0.00 !  7
 assign (resid 586 and name  he3 )        (resid 615 and name  hb+ ) 5.50 3.60 0.00 !  2
 assign (resid 626 and name   hb )        (resid 628 and name  he+ ) 4.08 2.18 0.00 !  5
 assign (resid 586 and name  he3 )        (resid 587 and name hg++ ) 5.50 3.60 0.00 !  2
 assign (resid 610 and name   hn )        (resid 592 and name hd++ ) 5.50 3.60 0.00 !  2
 assign (resid 597 and name   hn )        (resid 592 and name hd++ ) 5.50 3.60 0.00 !  2
 assign (resid 574 and name  hd+ )        (resid 636 and name hg2+ ) 5.50 3.60 0.00 !  2
 assign (resid 574 and name  he+ )        (resid 636 and name hg2+ ) 4.97 3.07 0.00 !  3
 assign (resid 570 and name  hz3 )        (resid 575 and name  hb2 ) 5.50 3.60 0.00 !  2
 assign (resid 629 and name  hd+ )        (resid 573 and name  hg+ ) 4.08 2.18 0.00 !  5
 assign (resid 586 and name  he3 )        (resid 588 and name   hb ) 4.51 2.61 0.00 !  4
 assign (resid 630 and name   hn )        (resid 630 and name  hg+ ) 3.35 1.45 0.00 !  7
 assign (resid 592 and name   hn )        (resid 592 and name   hg ) 5.50 3.60 0.00 !  2
 assign (resid 590 and name hd++ )        (resid 606 and name hd++ ) 4.97 3.07 0.00 !  3
 assign (resid 626 and name hg++ )        (resid 606 and name hd++ ) 4.97 3.07 0.00 !  3
 assign (resid 590 and name hd++ )        (resid 592 and name   hg ) 5.50 3.60 0.00 !  1
 assign (resid 580 and name hg2+ )        (resid 586 and name  hb+ ) 5.50 3.60 0.00 !  1
! assign (resid 626 and name hg++ )        (resid 627 and name   hb ) 2.50 0.60 0.00 ! 10
 assign (resid 617 and name  hg+ )        (resid 617 and name  hb+ ) 4.97 3.07 0.00 !  3
 assign (resid 599 and name  hb2 )        (resid 599 and name  hg+ ) 3.35 1.45 0.00 !  7
 assign (resid 565 and name hg1+ )        (resid 577 and name   hb ) 5.50 3.60 0.00 !  2
 assign (resid 577 and name hg2+ )        (resid 578 and name   ha ) 5.50 3.60 0.00 !  1
 assign (resid 577 and name hg2+ )        (resid 625 and name  ha+ ) 4.97 3.07 0.00 !  3
 assign (resid 577 and name hg2+ )        (resid 577 and name   ha ) 2.75 0.85 0.00 !  9
 assign (resid 576 and name hg1+ )        (resid 578 and name   ha ) 5.50 3.60 0.00 !  2
 assign (resid 576 and name hg1+ )        (resid 577 and name   ha ) 4.97 3.07 0.00 !  3
 assign (resid 617 and name  hg+ )        (resid 617 and name  hd+ ) 4.97 3.07 0.00 !  3
 assign (resid 587 and name hg++ )        (resid 614 and name hg2+ ) 2.50 0.60 0.00 ! 10
 assign (resid 592 and name   hg )        (resid 592 and name hd++ ) 2.50 0.60 0.00 ! 10
 assign (resid 596 and name  hb2 )        (resid 592 and name hd++ ) 4.08 2.18 0.00 !  5
 assign (resid 627 and name hg2+ )        (resid 573 and name  hb+ ) 3.70 1.80 0.00 !  6
 assign (resid 590 and name  hb1 )        (resid 592 and name   hg ) 5.50 3.60 0.00 !  2
 assign (resid 598 and name   hb )        (resid 598 and name hg2+ ) 2.50 0.60 0.00 ! 10
 assign (resid 564 and name  hb+ )        (resid 576 and name hg2+ ) 4.51 2.61 0.00 !  4
 assign (resid 590 and name   hg )        (resid 639 and name  hb+ ) 4.97 3.07 0.00 !  3
 assign (resid 588 and name   hb )        (resid 588 and name hg++ ) 2.50 0.60 0.00 ! 10
 assign (resid 589 and name hg2+ )        (resid 614 and name   ha ) 5.50 3.60 0.00 !  2
 assign (resid 640 and name   hb )        (resid 588 and name hg++ ) 2.50 0.60 0.00 ! 10
 assign (resid 588 and name hg++ )        (resid 589 and name   ha ) 3.04 1.14 0.00 !  8
 assign (resid 565 and name hg2+ )        (resid 563 and name  hb+ ) 4.97 3.07 0.00 !  3
 assign (resid 587 and name hg++ )        (resid 585 and name   ha ) 4.97 3.07 0.00 !  3
 assign (resid 567 and name  ha+ )        (resid 565 and name hg2+ ) 4.97 3.07 0.00 !  3
 assign (resid 610 and name   ha )        (resid 592 and name hd++ ) 2.50 0.60 0.00 ! 10
 assign (resid 609 and name   ha )        (resid 598 and name hg2+ ) 2.75 0.85 0.00 !  9
 assign (resid 577 and name hg2+ )        (resid 577 and name   hb ) 2.75 0.85 0.00 !  9
 assign (resid 590 and name  hb1 )        (resid 590 and name   ha ) 4.08 2.18 0.00 !  5
 assign (resid 624 and name  he+ )        (resid 578 and name  hb2 ) 5.50 3.60 0.00 !  1
 assign (resid 624 and name  he+ )        (resid 588 and name   hb ) 5.50 3.60 0.00 !  1
 assign (resid 573 and name   ha )        (resid 573 and name  hb+ ) 3.35 1.45 0.00 !  7
 assign (resid 573 and name   ha )        (resid 573 and name  hg+ ) 3.04 1.14 0.00 !  8
 assign (resid 622 and name   ha )        (resid 580 and name hg2+ ) 5.50 3.60 0.00 !  1
 assign (resid 597 and name   ha )        (resid 592 and name hd++ ) 2.75 0.85 0.00 !  9
 assign (resid 597 and name   ha )        (resid 598 and name   hb ) 5.50 3.60 0.00 !  1
 assign (resid 622 and name   ha )        (resid 580 and name   hb ) 5.50 3.60 0.00 !  1
 assign (resid 641 and name   ha )        (resid 641 and name  hb1 ) 5.50 3.60 0.00 !  2
 assign (resid 642 and name   ha )        (resid 642 and name  hb+ ) 2.50 0.60 0.00 ! 10
 assign (resid 597 and name   ha )        (resid 610 and name  hb+ ) 5.50 3.60 0.00 !  2
 assign (resid 603 and name  hb+ )        (resid 624 and name   ha ) 2.50 0.60 0.00 ! 10
 assign (resid 601 and name   ha )        (resid 601 and name  hb+ ) 3.70 1.80 0.00 !  6
 assign (resid 586 and name   ha )        (resid 586 and name  hb+ ) 3.35 1.45 0.00 !  7
 assign (resid 585 and name   ha )        (resid 585 and name  hb+ ) 3.04 1.14 0.00 !  8
! assign (resid 603 and name   ha )        (resid 604 and name   ha ) 2.75 0.85 0.00 !  9
 assign (resid 566 and name   ha )        (resid 566 and name  hd+ ) 4.51 2.61 0.00 !  4
 assign (resid 643 and name   hb )        (resid 643 and name hg2+ ) 2.50 0.60 0.00 ! 10
 assign (resid 557 and name   hb )        (resid 557 and name hg2+ ) 2.50 0.60 0.00 ! 10
 assign (resid 577 and name   hb )        (resid 576 and name hg1+ ) 5.50 3.60 0.00 !  1
 assign (resid 566 and name  hd+ )        (resid 576 and name hg1+ ) 5.50 3.60 0.00 !  1
 assign (resid 599 and name  hb2 )        (resid 627 and name   hb ) 5.50 3.60 0.00 !  2
 assign (resid 565 and name hg1+ )        (resid 567 and name  ha+ ) 5.50 3.60 0.00 !  2
 assign (resid 634 and name  hb+ )        (resid 635 and name  hb+ ) 4.08 2.18 0.00 !  5
 assign (resid 571 and name  hb+ )        (resid 570 and name  hb1 ) 5.50 3.60 0.00 !  2
 assign (resid 577 and name   hb )        (resid 565 and name   hb ) 4.08 2.18 0.00 !  5
 assign (resid 569 and name  hb+ )        (resid 574 and name  hb+ ) 3.35 1.45 0.00 !  7
 assign (resid 603 and name  hb+ )        (resid 624 and name  hb+ ) 4.51 2.61 0.00 !  4
!
! AMBIGUOUS NOES
! First set, added 29 August
assign  (resid 586 and name  he1 )
       ((resid 586 and name  hd1 ) or (resid 622 and name hd2+ ))    2.50 0.60 0.00   ! 10
 
assign  (resid 606 and name   hn )
       ((resid 606 and name   hg ) or (resid 606 and name  hb+ ))    2.50 0.60 0.00   ! 11
 
assign  (resid 570 and name  he1 )
       ((resid 570 and name  hz2 ) or (resid 570 and name  hd1 ))    2.50 0.60 0.00   ! 12
 
assign  (resid 590 and name   hn )
       ((resid 588 and name hg++ ) or (resid 613 and name hg1+ ))    5.50 3.60 0.00   ! 4
 
assign  (resid 592 and name   hn )
       ((resid 591 and name   hn ) or (resid 613 and name   hn ))    5.50 3.60 0.00   ! 4
 
assign  (resid 612 and name   hn )
       ((resid 613 and name hg2+ ) or (resid 598 and name hg1+ ))    6.00 3.60 0.00   ! 2
 
assign  (resid 560 and name  hb+ )
       ((resid 581 and name   hn ) or (resid 641 and name   hn ))    6.00 3.60 0.00   ! 3
 
assign ((resid 641 and name   hn ) or (resid 581 and name   hn ))
       ((resid 580 and name   hb ) or (resid 640 and name hg2+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 598 and name   hn )
       ((resid 609 and name   ha ) or (resid 610 and name   ha ))    3.70 1.80 0.00   ! 6
 
assign  (resid 616 and name   hn )
       ((resid 616 and name   ha ) or (resid 605 and name   ha ))    3.70 1.80 0.00   ! 6
 
assign  (resid 629 and name   hn )
       ((resid 630 and name   ha ) or (resid 596 and name   ha ))    6.00 3.60 0.00   ! 1
 
assign  (resid 576 and name   hn )
       ((resid 574 and name  hd+ ) or (resid 574 and name  he+ ))    6.00 3.60 0.00   ! 1
 
assign  (resid 630 and name   hn )
       ((resid 630 and name  hb+ ) or (resid 630 and name  hd+ ))    3.70 1.80 0.00   ! 6
 
assign  (resid 575 and name   hn )
       ((resid 575 and name hd2+ ) or (resid 569 and name   hn ))    6.00 3.60 0.00   ! 1
 
assign  (resid 569 and name   hn )
       ((resid 569 and name  hb+ ) or (resid 568 and name  hg+ ))    3.04 1.14 0.00   ! 8
 
assign  (resid 607 and name   hn )
       ((resid 608 and name  ha+ ) or (resid 614 and name   hb ))    6.00 3.60 0.00   ! 3
 
assign  (resid 607 and name   hn )
       ((resid 606 and name   hg ) or (resid 606 and name  hb+ ))    2.75 0.85 0.00   ! 9
 
assign  (resid 584 and name   hn )
       ((resid 582 and name  ha+ ) or (resid 583 and name   ha ))    3.70 1.80 0.00   ! 6
 
assign  (resid 584 and name   hn )
       ((resid 584 and name  hb+ ) or (resid 583 and name  hb+ ))    4.51 2.61 0.00   ! 5
 
assign  (resid 593 and name   hn )
       ((resid 592 and name  hb1 ) or (resid 637 and name  hb+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 587 and name   hn )
       ((resid 587 and name   hb ) or (resid 588 and name   hb ))    3.04 1.14 0.00   ! 8
 
assign  (resid 614 and name   hn )
       ((resid 606 and name   hg ) or (resid 606 and name  hb+ ))    6.00 3.60 0.00   ! 3
 
assign  (resid 560 and name   hn )
       ((resid 561 and name   ha ) or (resid 642 and name   ha ))    6.00 3.60 0.00   ! 3
 
assign  (resid 633 and name   hn )
       ((resid 630 and name  hb+ ) or (resid 630 and name  hd+ ))    5.50 3.60 0.00   ! 4
 
assign  (resid 574 and name   hn )
       ((resid 628 and name  hb1 ) or (resid 573 and name  hd+ ))    6.00 3.60 0.00   ! 2
 
assign  (resid 574 and name   hn )
       ((resid 628 and name  hb2 ) or (resid 573 and name  hg+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 610 and name   hn )
       ((resid 598 and name hg1+ ) or (resid 613 and name hg2+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 561 and name   hn )
       ((resid 560 and name   hn ) or (resid 582 and name   hn ))    5.50 3.60 0.00   ! 4
 
assign  (resid 567 and name   hn )
       ((resid 566 and name  hg+ ) or (resid 565 and name   hb ))    3.04 1.14 0.00   ! 8
 
assign  (resid 631 and name   hn )
       ((resid 630 and name  hb+ ) or (resid 630 and name  hd+ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 604 and name   hn )
       ((resid 603 and name  hb+ ) or (resid 601 and name  hb+ ))    6.00 3.60 0.00   ! 3
 
assign  (resid 640 and name   hn )
       ((resid 562 and name hg++ ) or (resid 588 and name hg++ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 582 and name   hn )
       ((resid 582 and name  ha+ ) or (resid 581 and name  hb+ ))    3.04 1.14 0.00   ! 8
 
assign  (resid 591 and name   hn )
       ((resid 589 and name   hb ) or (resid 592 and name   ha ))    6.00 3.60 0.00   ! 1
 
assign  (resid 600 and name   hn )
       ((resid 598 and name   ha ) or (resid 601 and name  hb+ ))    4.51 2.61 0.00   ! 5
 
assign  (resid 600 and name   hn )
       ((resid 598 and name hg2+ ) or (resid 627 and name hg2+ ))    4.51 2.61 0.00   ! 5
 
assign  (resid 596 and name he2+ )
       ((resid 592 and name   ha ) or (resid 633 and name  hb+ ))    6.00 3.60 0.00   ! 1
 
assign  (resid 625 and name   hn )
       ((resid 601 and name  hb+ ) or (resid 603 and name  hb+ ))    4.51 2.61 0.00   ! 5
 
assign  (resid 625 and name   hn )
       ((resid 626 and name hg++ ) or (resid 604 and name  hb+ ))    5.50 3.60 0.00   ! 4
 
assign  (resid 628 and name   hn )
       ((resid 628 and name  hb1 ) or (resid 573 and name  hd+ ))    5.50 3.60 0.00   ! 4
 
assign  (resid 579 and name   hn )
       ((resid 578 and name  hb2 ) or (resid 565 and name hg2+ ))    5.50 3.60 0.00   ! 4
 
assign  (resid 636 and name   hn )
       ((resid 636 and name   ha ) or (resid 636 and name   hb ))    2.50 0.60 0.00   ! 10
 
assign  (resid 630 and name   hn )
       ((resid 574 and name  hd+ ) or (resid 574 and name  he+ ))    6.00 3.60 0.00   ! 1
!
! Second set of ambiguous NOEs, added 7 Sept
assign  (resid 632 and name   hn )
       ((resid 630 and name  hb+ ) or (resid 630 and name  hd+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 641 and name  hb2 )
       ((resid 561 and name   hn ) or (resid 562 and name   hn ))    4.97 3.07 0.00   ! 3
 
assign  (resid 633 and name   hn )
       ((resid 632 and name  ha+ ) or (resid 633 and name  hb+ ))    3.70 1.80 0.00   ! 6
 
assign  (resid 628 and name   hz )
       ((resid 626 and name hg++ ) or (resid 637 and name hg++ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 628 and name  he+ )
       ((resid 626 and name hg++ ) or (resid 637 and name hg++ ))    3.04 1.14 0.00   ! 8
 
assign  (resid 628 and name  hd+ )
       ((resid 626 and name hg++ ) or (resid 637 and name hg++ ))    3.70 1.80 0.00   ! 6
 
assign  (resid 610 and name   hn )
       ((resid 610 and name   ha ) or (resid 609 and name   ha ))    3.04 1.14 0.00   ! 8
 
assign  (resid 588 and name   hn )
       ((resid 588 and name   hb ) or (resid 587 and name   hb ))    3.04 1.14 0.00   ! 8
 
assign  (resid 583 and name   hn )
       ((resid 583 and name   ha ) or (resid 582 and name  ha+ ))    3.70 1.80 0.00   ! 6
 
assign  (resid 628 and name  he+ )
       ((resid 598 and name hg1+ ) or (resid 613 and name hg2+ ))    5.50 3.60 0.00   ! 2
 
assign  (resid 628 and name  he+ )
       ((resid 626 and name hg++ ) or (resid 613 and name hg1+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 606 and name hd++ )
       ((resid 606 and name   hg ) or (resid 606 and name  hb+ ))    2.50 0.60 0.00   ! 10
 
assign  (resid 577 and name hg2+ )
       ((resid 579 and name  hb1 ) or (resid 623 and name  hb+ ))    4.08 2.18 0.00   ! 5
 
assign  (resid 639 and name  hb+ )
       ((resid 562 and name hg++ ) or (resid 588 and name hg++ ))    2.50 0.60 0.00   ! 10
 
assign  (resid 641 and name   ha )
       ((resid 562 and name hg++ ) or (resid 588 and name hg++ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 640 and name   ha )
       ((resid 562 and name hg++ ) or (resid 588 and name hg++ ))    3.35 1.45 0.00   ! 7
 
assign  (resid 564 and name   ha )
       ((resid 578 and name  hb2 ) or (resid 565 and name hg2+ ))    4.97 3.07 0.00   ! 3
 
assign  (resid 578 and name  hb2 )
       ((resid 578 and name  hd+ ) or (resid 624 and name   hz ))    2.75 0.85 0.00   ! 9
 
assign  (resid 630 and name   ha )
       ((resid 630 and name  hb+ ) or (resid 630 and name  hd+ ))    3.70 1.80 0.00   ! 6
 
assign  (resid 606 and name hd++ )
       ((resid 601 and name  hb+ ) or (resid 608 and name  ha+ ))    4.51 2.61 0.00   ! 4
 
assign ((resid 574 and name  he+ ) or (resid 570 and name  hh2 ))
       ((resid 637 and name  hg+ ) or (resid 568 and name  hb2 ))    4.08 2.18 0.00   ! 5
 
assign ((resid 596 and name  hg2 ) or (resid 560 and name  hb+ ))
       ((resid 592 and name hd++ ) or (resid 587 and name hg++ ))    5.50 3.60 0.00   ! 2
 
assign ((resid 565 and name hg1+ ) or (resid 587 and name hg++ ))
       ((resid 586 and name   ha ) or (resid 578 and name   ha ))    3.70 1.80 0.00   ! 6
 
assign ((resid 641 and name   ha ) or (resid 627 and name   ha ))
       ((resid 641 and name  hb2 ) or (resid 575 and name  hb2 ))    5.50 3.60 0.00   ! 2
 
assign ((resid 602 and name  hb1 ) or (resid 586 and name  hb+ ))
       ((resid 601 and name   ha ) or (resid 586 and name   ha ))    3.04 1.14 0.00   ! 8
 
assign ((resid 635 and name   ha ) or (resid 607 and name   hb ))
       ((resid 635 and name  hb+ ) or (resid 607 and name hg2+ ))    2.50 0.60 0.00   ! 10
 
assign ((resid 558 and name  ha1 ) or (resid 638 and name  ha+ ))
       ((resid 643 and name hg2+ ) or (resid 639 and name  hb+ ))    3.70 1.80 0.00   ! 6
!
! HYDROGEN BONDS
! H-bonds only included if temp_coeff, amex, NOE and
! phi dihedral data agreed!
! Added in late stages of calculation
!
assign (resid   563  and name HN   )(resid   579  and name O    )   2.3 0.5 0.2
assign (resid   563  and name N    )(resid   579  and name O    )   3.3 0.8 0.2
assign (resid   574  and name HN   )(resid   628  and name O    )   2.3 0.5 0.2
assign (resid   574  and name N    )(resid   628  and name O    )   3.3 0.8 0.2
assign (resid   576  and name HN   )(resid   626  and name O    )   2.3 0.5 0.2
assign (resid   576  and name N    )(resid   626  and name O    )   3.3 0.8 0.2
assign (resid   579  and name HN   )(resid   563  and name O    )   2.3 0.5 0.2
assign (resid   579  and name N    )(resid   563  and name O    )   3.3 0.8 0.2
assign (resid   589  and name HN   )(resid   640  and name O    )   2.3 0.5 0.2
assign (resid   589  and name N    )(resid   640  and name O    )   3.3 0.8 0.2
assign (resid   614  and name HN   )(resid   607  and name O    )   2.3 0.5 0.2
assign (resid   614  and name N    )(resid   607  and name O    )   3.3 0.8 0.2
assign (resid   615  and name HN   )(resid   588  and name O    )   2.3 0.5 0.2
assign (resid   615  and name N    )(resid   588  and name O    )   3.3 0.8 0.2
assign (resid   624  and name HN   )(resid   578  and name O    )   2.3 0.5 0.2
assign (resid   624  and name N    )(resid   578  and name O    )   3.3 0.8 0.2
assign (resid   626  and name HN   )(resid   576  and name O    )   2.3 0.5 0.2
assign (resid   626  and name N    )(resid   576  and name O    )   3.3 0.8 0.2
assign (resid   628  and name HN   )(resid   574  and name O    )   2.3 0.5 0.2
assign (resid   628  and name N    )(resid   574  and name O    )   3.3 0.8 0.2
assign (resid   640  and name HN   )(resid   589  and name O    )   2.3 0.5 0.2
assign (resid   640  and name N    )(resid   589  and name O    )   3.3 0.8 0.2
assign (resid   570  and name HN   )(resid   573  and name O    )   2.3 0.5 0.2
assign (resid   570  and name N    )(resid   573  and name O    )   3.3 0.8 0.2
assign (resid   575  and name HN   )(resid   568  and name O    )   2.3 0.5 0.2
assign (resid   575  and name N    )(resid   568  and name O    )   3.3 0.8 0.2
assign (resid   577  and name HN   )(resid   565  and name O    )   2.3 0.5 0.2
assign (resid   577  and name N    )(resid   565  and name O    )   3.3 0.8 0.2
assign (resid   580  and name HN   )(resid   622  and name O    )   2.3 0.5 0.2
assign (resid   580  and name N    )(resid   622  and name O    )   3.3 0.8 0.2
assign (resid   590  and name HN   )(resid   613  and name O    )   2.3 0.5 0.2
assign (resid   590  and name N    )(resid   613  and name O    )   3.3 0.8 0.2
assign (resid   578  and name HN   )(resid   624  and name O    )   2.3 0.5 0.2
assign (resid   578  and name N    )(resid   624  and name O    )   3.3 0.8 0.2
assign (resid   591  and name HN   )(resid   638  and name O    )   2.3 0.5 0.2
assign (resid   591  and name N    )(resid   638  and name O    )   3.3 0.8 0.2
assign (resid   602  and name HN   )(resid   625  and name O    )   2.3 0.5 0.2
assign (resid   602  and name N    )(resid   625  and name O    )   3.3 0.8 0.2
assign (resid   605  and name HN   )(resid   616  and name O    )   2.3 0.5 0.2
assign (resid   605  and name N    )(resid   616  and name O    )   3.3 0.8 0.2
assign (resid   607  and name HN   )(resid   614  and name O    )   2.3 0.5 0.2
assign (resid   607  and name N    )(resid   614  and name O    )   3.3 0.8 0.2
assign (resid   613  and name HN   )(resid   590  and name O    )   2.3 0.5 0.2
assign (resid   613  and name N    )(resid   590  and name O    )   3.3 0.8 0.2
assign (resid   625  and name HN   )(resid   602  and name O    )   2.3 0.5 0.2
assign (resid   625  and name N    )(resid   602  and name O    )   3.3 0.8 0.2
assign (resid   627  and name HN   )(resid   600  and name O    )   2.3 0.5 0.2
assign (resid   627  and name N    )(resid   600  and name O    )   3.3 0.8 0.2
assign (resid   629  and name HN   )(resid   597  and name O    )   2.3 0.5 0.2
assign (resid   629  and name N    )(resid   597  and name O    )   3.3 0.8 0.2
assign (resid   630  and name HN   )(resid   572  and name O    )   2.3 0.5 0.2
assign (resid   630  and name N    )(resid   572  and name O    )   3.3 0.8 0.2
!
! DIHEDRAL ANGLE CONSTRAINTS
!
!
restraints dihedral reset
!
!phi restraints first, then chi1
!
! RESIDUE  557 , J=  7.85676
!
!assign (resid  556  and name C)  (resid  557  and name N)
!       (resid  557  and name CA) (resid  557  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE  560 , J=  7.15804
!
assign (resid  559  and name C)  (resid  560  and name N)
       (resid  560  and name CA) (resid  560  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE  562 , J=  9.94787
!
assign (resid  561  and name C)  (resid  562  and name N)
       (resid  562  and name CA) (resid  562  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  563 , J=  10.6219
!
assign (resid  562  and name C)  (resid  563  and name N)
       (resid  563  and name CA) (resid  563  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  564 , J=  9.69617
!
assign (resid  563  and name C)  (resid  564  and name N)
       (resid  564  and name CA) (resid  564  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  565 , J=  10.519
!
assign (resid  564  and name C)  (resid  565  and name N)
       (resid  565  and name CA) (resid  565  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  566 , J=  5.01656  LEAVE OUT INITIALLY
!
assign (resid  565  and name C)  (resid  566  and name N)
       (resid  566  and name CA) (resid  566  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE  568 , J=  5.04607  LEAVE OUT INITIALLY
!
assign (resid  567  and name C)  (resid  568  and name N)
       (resid  568  and name CA) (resid  568  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE  569 , J=  9.87951
!
assign (resid  568  and name C)  (resid  569  and name N)
       (resid  569  and name CA) (resid  569  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  572 , J=  9.56549
!
assign (resid  571  and name C)  (resid  572  and name N)
       (resid  572  and name CA) (resid  572  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  573 , J=  8.70881
!
assign (resid  572  and name C)  (resid  573  and name N)
       (resid  573  and name CA) (resid  573  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE  574 , J=  7.29854
!
assign (resid  573  and name C)  (resid  574  and name N)
       (resid  574  and name CA) (resid  574  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE  575 , J=  8.89475
!
assign (resid  574  and name C)  (resid  575  and name N)
       (resid  575  and name CA) (resid  575  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE  576 , J=  9.5876
!
assign (resid  575  and name C)  (resid  576  and name N)
       (resid  576  and name CA) (resid  576  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  577 , J=  10.2307
!
assign (resid  576  and name C)  (resid  577  and name N)
       (resid  577  and name CA) (resid  577  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  578 , J=  9.44365
!
assign (resid  577  and name C)  (resid  578  and name N)
       (resid  578  and name CA) (resid  578  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  579 , J=  10.2636
!
assign (resid  578  and name C)  (resid  579  and name N)
       (resid  579  and name CA) (resid  579  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  580 , J=  8.53668
!
assign (resid  579  and name C)  (resid  580  and name N)
       (resid  580  and name CA) (resid  580  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE     g 582 , MANUAL CONSTRAINT
!
assign (resid  581  and name C)  (resid  582  and name N)
       (resid  582  and name CA) (resid  582  and name C)  1.0 -180.0 120.0 2
!
! RESIDUE  583 , J=  6.29406 
!
!residue  583  not included (averaging?)
!
! RESIDUE  585 , J=  10.3989
!
assign (resid  584  and name C)  (resid  585  and name N)
       (resid  585  and name CA) (resid  585  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  586 , J=  8.38696
!
assign (resid  585  and name C)  (resid  586  and name N)
       (resid  586  and name CA) (resid  586  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE  587 , J=  11.3355
!
assign (resid  586  and name C)  (resid  587  and name N)
       (resid  587  and name CA) (resid  587  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  588 , J=  9.95979
!
assign (resid  587  and name C)  (resid  588  and name N)
       (resid  588  and name CA) (resid  588  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  589 , J=  10.011
!
assign (resid  588  and name C)  (resid  589  and name N)
       (resid  589  and name CA) (resid  589  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  590 , J=  9.88762
!
assign (resid  589  and name C)  (resid  590  and name N)
       (resid  590  and name CA) (resid  590  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  592 , J=  6.84254
!
!residue  592  not included (averaging?)
!
! RESIDUE  593 , J=  8.82475  LEAVE OUT INITIALLY
!
assign (resid  592  and name C)  (resid  593  and name N)
       (resid  593  and name CA) (resid  593  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE  596 , J=  4.10     Max value (HA peak tiny)  LEAVE OUT INITIALLY
!
assign (resid  595  and name C)  (resid  596  and name N)
       (resid  596  and name CA) (resid  596  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE  597 , J=  8.57756
!
assign (resid  596  and name C)  (resid  597  and name N)
       (resid  597  and name CA) (resid  597  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE  598 , J=  6.70309
!
!residue  598  not included (averaging?)
!
! RESIDUE  599 , J=  9.74712
!
assign (resid  598  and name C)  (resid  599  and name N)
       (resid  599  and name CA) (resid  599  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  600 , J=  7.24953
!
assign (resid  599  and name C)  (resid  600  and name N)
       (resid  600  and name CA) (resid  600  and name C)  1.0 -120.0 60.0 2
!
! RESIDUE  602 , J=  8.49536
!
assign (resid  601  and name C)  (resid  602  and name N)
       (resid  602  and name CA) (resid  602  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE  603 , J=  7.09867
!MANUAL CONSTRAINT!
!POSITIVE PHI!
assign (resid  602  and name C)  (resid  603  and name N)
       (resid  603  and name CA) (resid  603  and name C)  1.0 60.0 60.0 2
!
! RESIDUE  604 , J=  6.40813
!
!residue  604  not included (averaging?)
!
! RESIDUE  605 , J=  10.0769
!
assign (resid  604  and name C)  (resid  605  and name N)
       (resid  605  and name CA) (resid  605  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  606 , J=  9.6661
!
assign (resid  605  and name C)  (resid  606  and name N)
       (resid  606  and name CA) (resid  606  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  607 , J=  9.86323
!
assign (resid  606  and name C)  (resid  607  and name N)
       (resid  607  and name CA) (resid  607  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  610 , J=  6.95946
!
!residue  610  not included (averaging?)
!
! RESIDUE  612 , J=  9.78486
!
assign (resid  611  and name C)  (resid  612  and name N)
       (resid  612  and name CA) (resid  612  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  613 , J=  9.96772
!
assign (resid  612  and name C)  (resid  613  and name N)
       (resid  613  and name CA) (resid  613  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  614 , J=  11.0418
!
assign (resid  613  and name C)  (resid  614  and name N)
       (resid  614  and name CA) (resid  614  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  615 , J=  9.88357
!
assign (resid  614  and name C)  (resid  615  and name N)
       (resid  615  and name CA) (resid  615  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  616 , J=  10.164
!
assign (resid  615  and name C)  (resid  616  and name N)
       (resid  616  and name CA) (resid  616  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  618 , J=  10.4475
!
assign (resid  617  and name C)  (resid  618  and name N)
       (resid  618  and name CA) (resid  618  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  622 , J=  8.38084
!
assign (resid  621  and name C)  (resid  622  and name N)
       (resid  622  and name CA) (resid  622  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE  623 , J=  9.84688
!
assign (resid  622  and name C)  (resid  623  and name N)
       (resid  623  and name CA) (resid  623  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE     g 625 , MANUAL CONSTRAINT
!
assign (resid  624  and name C)  (resid  625  and name N)
       (resid  625  and name CA) (resid  625  and name C)  1.0 -180.0 120.0 2
!
! RESIDUE  626 , J=  9.95582
!
assign (resid  625  and name C)  (resid  626  and name N)
       (resid  626  and name CA) (resid  626  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  627 , J=  10.4919
!
assign (resid  626  and name C)  (resid  627  and name N)
       (resid  627  and name CA) (resid  627  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  629 , J=  8.58336
!
assign (resid  628  and name C)  (resid  629  and name N)
       (resid  629  and name CA) (resid  629  and name C)  1.0 -120.0 50.0 2
!
! RESIDUE  630 , J=  5.848 
!
!residue  630  not included (averaging?)
!
! RESIDUE  631 , J=  6.65547
!
!residue  631  not included (averaging?)
!
! RESIDUE  633 , J=  9.56549
!
assign (resid  632  and name C)  (resid  633  and name N)
       (resid  633  and name CA) (resid  633  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  635 , J=  5.07533  LEAVE OUT INITIALLY
!
assign (resid  634  and name C)  (resid  635  and name N)
       (resid  635  and name CA) (resid  635  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE  636 , J=  4.10     Max value (HA peak tiny)  LEAVE OUT INITIALLY
!
assign (resid  635  and name C)  (resid  636  and name N)
       (resid  636  and name CA) (resid  636  and name C)  1.0 -55.0 35.0 2
!
! RESIDUE  639 , J=  8.99992
!
assign (resid  638  and name C)  (resid  639  and name N)
       (resid  639  and name CA) (resid  639  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  640 , J=  9.81807
!
assign (resid  639  and name C)  (resid  640  and name N)
       (resid  640  and name CA) (resid  640  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  641 , J=  9.78903  Approximate value (overlap)
!
assign (resid  640  and name C)  (resid  641  and name N)
       (resid  641  and name CA) (resid  641  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  642 , J=  9.51635
!
assign (resid  641  and name C)  (resid  642  and name N)
       (resid  642  and name CA) (resid  642  and name C)  1.0 -120.0 40.0 2
!
! RESIDUE  643 , J=  8.25644
!
assign (resid  642  and name C)  (resid  643  and name N)
       (resid  643  and name CA) (resid  643  and name C)  1.0 -120.0 50.0 2
!
!
! CBD chi1 dihedral ranges below
! 
! THESE HAVE BEEN AMENDED 28/7/97 TO REMOVE INCORRECT THREONINE CONSTRAINTS
! AND TO ADD A CONSTRAINT PREVIOUSLY UNUSED DUE TO THE THREONINE ROTAMER
! CONFUSION! (THREONINE 577)
! I have added some extra chi angles to this list and edited some of the ambiguities
! by use of data from the HNHB and ECOSY expts                 Suzy 1/9/00
assign (resid  565  and name N)  (resid  565  and name CA)
       (resid  565  and name CB) (resid  565  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  566  and name N)  (resid  566  and name CA)
       (resid  566  and name CB) (resid  566  and name CG)  1.0 0.0 90.0 2  
assign (resid  568  and name N)  (resid  568  and name CA)
       (resid  568  and name CB) (resid  568  and name CG)  1.0 -60.0 30.0 2  
assign (resid  569  and name N)  (resid  569  and name CA)
       (resid  569  and name CB) (resid  569  and name CG)  1.0 0.0 90.0 2  
assign (resid  570  and name N)  (resid  570  and name CA)
       (resid  570  and name CB) (resid  570  and name CG)  1.0 -60.0 30.0 2  
assign (resid  572  and name N)  (resid  572  and name CA)
       (resid  572  and name CB) (resid  572  and name CG)  1.0 0.0 90.0 2  
assign (resid  573  and name N)  (resid  573  and name CA)
       (resid  573  and name CB) (resid  573  and name CG)  1.0 0.0 90.0 2  
assign (resid  575  and name N)  (resid  575  and name CA)
       (resid  575  and name CB) (resid  575  and name CG)  1.0 180.0 30.0 2  
assign (resid  576  and name N)  (resid  576  and name CA)
       (resid  576  and name CB) (resid  576  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  577  and name N)  (resid  577  and name CA)
       (resid  577  and name CB) (resid  577  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  578  and name N)  (resid  578  and name CA)
       (resid  578  and name CB) (resid  578  and name CG)  1.0 -60.0 30.0 2  
assign (resid  579  and name N)  (resid  579  and name CA)
       (resid  579  and name CB) (resid  579  and name OG)  1.0 -60.0 30.0 2  
assign (resid  580  and name N)  (resid  580  and name CA)
       (resid  580  and name CB) (resid  580  and name CG1)  1.0 180.0 30.0 2  !VAL
!assign (resid  583  and name N)  (resid  583  and name CA)
!       (resid  583  and name CB) (resid  583  and name OG)  1.0 180.0 30.0 2  !SER
assign (resid  586  and name N)  (resid  586  and name CA)
       (resid  586  and name CB) (resid  586  and name CG)  1.0 0.0 90.0 2  
assign (resid  590  and name N)  (resid  590  and name CA)
       (resid  590  and name CB) (resid  590  and name CG)  1.0 -60.0 30.0 2  !LEU
! Note that resid 592 looks more like +60 in ECOSY in spite of all structures being
! -60.                    Suzy 1/9/00
assign (resid  592  and name N)  (resid  592  and name CA)
       (resid  592  and name CB) (resid  592  and name CG)  1.0 -60.0 30.0 2  !LEU
assign (resid  593  and name N)  (resid  593  and name CA)
       (resid  593  and name CB) (resid  593  and name CG)  1.0 -60.0 30.0 2  
assign (resid  596  and name N)  (resid  596  and name CA)
       (resid  596  and name CB) (resid  596  and name CG)  1.0 -60.0 30.0 2  
assign (resid  597  and name N)  (resid  597  and name CA)
       (resid  597  and name CB) (resid  597  and name OG)  1.0 0.0 90.0 2  !SER
assign (resid  598  and name N)  (resid  598  and name CA)
       (resid  598  and name CB) (resid  598  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  599  and name N)  (resid  599  and name CA)
       (resid  599  and name CB) (resid  599  and name CG)  1.0 180.0 30.0 2  
assign (resid  602  and name N)  (resid  602  and name CA)
       (resid  602  and name CB) (resid  602  and name CG)  1.0 60.0 30.0 2  
assign (resid  607  and name N)  (resid  607  and name CA)
       (resid  607  and name CB) (resid  607  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  609  and name N)  (resid  609  and name CA)
       (resid  609  and name CB) (resid  609  and name OG)  1.0 0.0 90.0 2  !SER
assign (resid  612  and name N)  (resid  612  and name CA)
       (resid  612  and name CB) (resid  612  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  613  and name N)  (resid  613  and name CA)
       (resid  613  and name CB) (resid  613  and name CG1)  1.0 180.0 30.0 2  !VAL
assign (resid  614  and name N)  (resid  614  and name CA)
       (resid  614  and name CB) (resid  614  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  618  and name N)  (resid  618  and name CA)
       (resid  618  and name CB) (resid  618  and name CG)  1.0 0.0 90.0 2  
assign (resid  622  and name N)  (resid  622  and name CA)
       (resid  622  and name CB) (resid  622  and name CG)  1.0 -60.0 30.0 2  
assign (resid  623  and name N)  (resid  623  and name CA)
       (resid  623  and name CB) (resid  623  and name OG)  1.0 0.0 90.0 2  
assign (resid  624  and name N)  (resid  624  and name CA)
       (resid  624  and name CB) (resid  624  and name CG)  1.0 0.0 90.0 2  
assign (resid  626  and name N)  (resid  626  and name CA)
       (resid  626  and name CB) (resid  626  and name CG1)  1.0 120.0 90.0 2  !VAL
assign (resid  627  and name N)  (resid  627  and name CA)
       (resid  627  and name CB) (resid  627  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  628  and name N)  (resid  628  and name CA)
       (resid  628  and name CB) (resid  628  and name CG)  1.0 -60.0 30.0 2  
assign (resid  629  and name N)  (resid  629  and name CA)
       (resid  629  and name CB) (resid  629  and name CG)  1.0 -60.0 30.0 2  
assign (resid  631  and name N)  (resid  631  and name CA)
       (resid  631  and name CB) (resid  631  and name CG)  1.0 -60.0 30.0 2  
assign (resid  633  and name N)  (resid  633  and name CA)
       (resid  633  and name CB) (resid  633  and name OG)  1.0 0.0 90.0 2  
!assign (resid  636  and name N)  (resid  636  and name CA)
!       (resid  636  and name CB) (resid  636  and name OG1)  1.0 60.0 30.0 2  !THR
assign (resid  640  and name N)  (resid  640  and name CA)
       (resid  640  and name CB) (resid  640  and name OG1)  1.0 -60.0 30.0 2  !THR
assign (resid  641  and name N)  (resid  641  and name CA)
       (resid  641  and name CB) (resid  641  and name SG)  1.0 -60.0 30.0 2  !CYS
assign (resid  643  and name N)  (resid  643  and name CA)
       (resid  643  and name CB) (resid  643  and name OG1)  1.0 60.0 30.0 2  !THR
end
!set message=on echo=on end
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR 557           H1       THR 557   2.771  17.032 -13.633
    2    H2   THR 557           H2       THR 557   3.732  15.982 -14.563
    3    H3   THR 557           H3       THR 557   2.716  15.357 -13.357
    4    HA   THR 557           HA       THR 557   4.998  15.363 -12.595
    5    HB   THR 557           HB       THR 557   5.073  18.326 -12.489
    6    HG1  THR 557           HG1      THR 557   6.028  18.110 -14.724
    7   1HG2  THR 557          1HG2      THR 557   6.915  16.004 -12.695
    8   2HG2  THR 557          2HG2      THR 557   7.458  17.509 -13.434
    9   3HG2  THR 557          3HG2      THR 557   7.052  17.466 -11.719
   10    H    GLY 558           H        GLY 558   3.220  14.686 -11.042
   11   1HA   GLY 558          1HA       GLY 558   1.736  16.317  -9.367
   12   2HA   GLY 558          2HA       GLY 558   3.353  16.356  -8.662
   13    H    SER 559           H        SER 559   4.284  13.843  -8.881
   14    HA   SER 559           HA       SER 559   2.220  11.896  -8.108
   15   1HB   SER 559          1HB       SER 559   3.978  10.274  -8.157
   16   2HB   SER 559          2HB       SER 559   4.280  11.353  -9.515
   17    HG   SER 559           HG       SER 559   5.799  12.438  -8.239
   18    H    CYS 560           H        CYS 560   2.730  10.541  -6.063
   19    HA   CYS 560           HA       CYS 560   3.059  12.449  -3.841
   20   1HB   CYS 560          1HB       CYS 560   1.507  11.138  -2.874
   21   2HB   CYS 560          2HB       CYS 560   1.524  10.087  -4.280
   22    H    SER 561           H        SER 561   4.482  11.855  -1.992
   23    HA   SER 561           HA       SER 561   6.976  10.550  -2.998
   24   1HB   SER 561          1HB       SER 561   7.986  11.793  -0.969
   25   2HB   SER 561          2HB       SER 561   7.530  12.759  -2.369
   26    HG   SER 561           HG       SER 561   5.929  13.615  -1.262
   27    H    VAL 562           H        VAL 562   7.207   8.514  -2.231
   28    HA   VAL 562           HA       VAL 562   6.840   7.971   0.619
   29    HB   VAL 562           HB       VAL 562   4.541   7.741  -0.041
   30   1HG1  VAL 562          1HG1      VAL 562   5.636   6.064  -2.317
   31   2HG1  VAL 562          2HG1      VAL 562   3.923   6.189  -1.918
   32   3HG1  VAL 562          3HG1      VAL 562   4.810   7.617  -2.449
   33   1HG2  VAL 562          1HG2      VAL 562   5.439   5.954   1.423
   34   2HG2  VAL 562          2HG2      VAL 562   4.150   5.349   0.382
   35   3HG2  VAL 562          3HG2      VAL 562   5.834   4.995  -0.004
   36    H    SER 563           H        SER 563   7.522   5.731   1.153
   37    HA   SER 563           HA       SER 563   8.967   4.304  -1.008
   38   1HB   SER 563          1HB       SER 563  10.809   4.150   1.008
   39   2HB   SER 563          2HB       SER 563  10.904   5.293  -0.329
   40    HG   SER 563           HG       SER 563  10.309   6.870   0.969
   41    H    ALA 564           H        ALA 564   9.029   2.077  -0.636
   42    HA   ALA 564           HA       ALA 564   7.546   1.160   1.779
   43   1HB   ALA 564          1HB       ALA 564   6.634   0.444  -0.392
   44   2HB   ALA 564          2HB       ALA 564   8.183  -0.289  -0.810
   45   3HB   ALA 564          3HB       ALA 564   7.226  -0.946   0.518
   46    H    VAL 565           H        VAL 565   8.731   0.304   3.405
   47    HA   VAL 565           HA       VAL 565  11.357  -0.967   2.723
   48    HB   VAL 565           HB       VAL 565  10.889   0.038   5.478
   49   1HG1  VAL 565          1HG1      VAL 565  13.056  -0.819   3.837
   50   2HG1  VAL 565          2HG1      VAL 565  13.351   0.862   4.281
   51   3HG1  VAL 565          3HG1      VAL 565  13.097  -0.352   5.536
   52   1HG2  VAL 565          1HG2      VAL 565  10.895   1.752   3.064
   53   2HG2  VAL 565          2HG2      VAL 565  10.171   2.031   4.651
   54   3HG2  VAL 565          3HG2      VAL 565  11.901   2.288   4.411
   55    H    ARG 566           H        ARG 566  11.839  -2.908   4.027
   56    HA   ARG 566           HA       ARG 566   9.605  -4.546   4.610
   57   1HB   ARG 566          1HB       ARG 566  11.127  -6.098   5.412
   58   2HB   ARG 566          2HB       ARG 566  12.255  -5.043   4.566
   59   1HG   ARG 566          1HG       ARG 566  12.742  -3.847   6.647
   60   2HG   ARG 566          2HG       ARG 566  11.549  -4.827   7.504
   61   1HD   ARG 566          1HD       ARG 566  13.705  -6.250   6.002
   62   2HD   ARG 566          2HD       ARG 566  14.141  -5.469   7.521
   63    HE   ARG 566           HE       ARG 566  12.422  -6.891   8.627
   64   1HH1  ARG 566          1HH1      ARG 566  10.795  -7.764   6.343
   65   2HH1  ARG 566          2HH1      ARG 566  11.407  -9.348   6.001
   66   1HH2  ARG 566          1HH2      ARG 566  14.343  -8.886   7.789
   67   2HH2  ARG 566          2HH2      ARG 566  13.416  -9.982   6.821
   68    H    GLY 567           H        GLY 567   8.406  -4.803   6.566
   69   1HA   GLY 567          1HA       GLY 567   7.306  -3.194   8.144
   70   2HA   GLY 567          2HA       GLY 567   8.928  -2.645   8.567
   71    H    GLU 568           H        GLU 568   6.733  -3.908  10.232
   72    HA   GLU 568           HA       GLU 568   8.480  -5.867  11.590
   73   1HB   GLU 568          1HB       GLU 568   5.931  -4.434  12.330
   74   2HB   GLU 568          2HB       GLU 568   6.514  -5.800  13.280
   75   1HG   GLU 568          1HG       GLU 568   8.739  -4.091  12.800
   76   2HG   GLU 568          2HG       GLU 568   7.406  -3.077  13.355
   77    H    GLU 569           H        GLU 569   8.288  -7.987  11.064
   78    HA   GLU 569           HA       GLU 569   5.648  -8.942  10.037
   79   1HB   GLU 569          1HB       GLU 569   6.872 -10.719   8.912
   80   2HB   GLU 569          2HB       GLU 569   7.613  -9.172   8.498
   81   1HG   GLU 569          1HG       GLU 569   8.864 -10.049  10.884
   82   2HG   GLU 569          2HG       GLU 569   8.813 -11.441   9.800
   83    H    TRP 570           H        TRP 570   5.495 -11.481  10.517
   84    HA   TRP 570           HA       TRP 570   6.352 -11.957  13.336
   85   1HB   TRP 570          1HB       TRP 570   3.589 -12.374  12.161
   86   2HB   TRP 570          2HB       TRP 570   4.098 -13.015  13.723
   87    HD1  TRP 570           HD1      TRP 570   4.797 -11.197  15.615
   88    HE1  TRP 570           HE1      TRP 570   3.958  -8.788  15.995
   89    HE3  TRP 570           HE3      TRP 570   2.723 -10.254  11.044
   90    HZ2  TRP 570           HZ2      TRP 570   2.588  -6.734  14.551
   91    HZ3  TRP 570           HZ3      TRP 570   1.659  -8.065  10.573
   92    HH2  TRP 570           HH2      TRP 570   1.589  -6.305  12.319
   93    H    ALA 571           H        ALA 571   4.184 -14.065  11.569
   94    HA   ALA 571           HA       ALA 571   6.455 -15.870  10.902
   95   1HB   ALA 571          1HB       ALA 571   4.560 -17.656  11.739
   96   2HB   ALA 571          2HB       ALA 571   4.308 -16.331  12.877
   97   3HB   ALA 571          3HB       ALA 571   5.896 -17.089  12.743
   98    H    ASP 572           H        ASP 572   2.917 -16.319  10.870
   99    HA   ASP 572           HA       ASP 572   3.049 -17.228   8.092
  100   1HB   ASP 572          1HB       ASP 572   0.858 -16.923  10.136
  101   2HB   ASP 572          2HB       ASP 572   0.461 -17.224   8.443
  102    H    ARG 573           H        ARG 573   2.618 -14.221   9.679
  103    HA   ARG 573           HA       ARG 573   1.789 -13.015   7.077
  104   1HB   ARG 573          1HB       ARG 573   0.803 -11.336   9.138
  105   2HB   ARG 573          2HB       ARG 573  -0.138 -12.273   7.980
  106   1HG   ARG 573          1HG       ARG 573   0.181 -14.265   9.563
  107   2HG   ARG 573          2HG       ARG 573   0.752 -13.094  10.751
  108   1HD   ARG 573          1HD       ARG 573  -1.518 -11.858   9.940
  109   2HD   ARG 573          2HD       ARG 573  -1.988 -13.540   9.700
  110    HE   ARG 573           HE       ARG 573  -0.848 -12.707  12.324
  111   1HH1  ARG 573          1HH1      ARG 573  -1.693 -15.280  12.708
  112   2HH1  ARG 573          2HH1      ARG 573  -3.398 -15.225  13.003
  113   1HH2  ARG 573          1HH2      ARG 573  -3.791 -12.041  11.688
  114   2HH2  ARG 573          2HH2      ARG 573  -4.587 -13.391  12.426
  115    H    PHE 574           H        PHE 574   2.538 -10.792   6.809
  116    HA   PHE 574           HA       PHE 574   4.673  -9.983   8.729
  117   1HB   PHE 574          1HB       PHE 574   6.141  -9.393   6.845
  118   2HB   PHE 574          2HB       PHE 574   5.730 -11.108   6.789
  119    HD1  PHE 574           HD1      PHE 574   4.889  -7.772   5.369
  120    HD2  PHE 574           HD2      PHE 574   4.506 -12.032   4.963
  121    HE1  PHE 574           HE1      PHE 574   3.931  -7.470   3.101
  122    HE2  PHE 574           HE2      PHE 574   3.548 -11.730   2.696
  123    HZ   PHE 574           HZ       PHE 574   3.260  -9.449   1.766
  124    H    ASN 575           H        ASN 575   5.046  -7.688   8.784
  125    HA   ASN 575           HA       ASN 575   2.919  -6.086   7.416
  126   1HB   ASN 575          1HB       ASN 575   2.935  -6.453  10.060
  127   2HB   ASN 575          2HB       ASN 575   4.117  -5.146   9.989
  128   2HD2  ASN 575          2HD2      ASN 575   0.952  -5.507  10.591
  129   1HD2  ASN 575          1HD2      ASN 575   0.324  -4.103   9.874
  130    H    VAL 576           H        VAL 576   3.746  -4.552   6.077
  131    HA   VAL 576           HA       VAL 576   6.637  -3.888   6.343
  132    HB   VAL 576           HB       VAL 576   5.001  -2.927   4.034
  133   1HG1  VAL 576          1HG1      VAL 576   7.808  -3.720   4.657
  134   2HG1  VAL 576          2HG1      VAL 576   7.244  -3.975   3.005
  135   3HG1  VAL 576          3HG1      VAL 576   7.209  -2.359   3.709
  136   1HG2  VAL 576          1HG2      VAL 576   5.830  -5.813   4.478
  137   2HG2  VAL 576          2HG2      VAL 576   4.186  -5.212   4.267
  138   3HG2  VAL 576          3HG2      VAL 576   5.325  -5.154   2.922
  139    H    THR 577           H        THR 577   7.270  -1.606   6.120
  140    HA   THR 577           HA       THR 577   5.132   0.238   7.117
  141    HB   THR 577           HB       THR 577   8.118   0.268   7.664
  142    HG1  THR 577           HG1      THR 577   6.692  -1.253   8.791
  143   1HG2  THR 577          1HG2      THR 577   7.041   2.535   7.425
  144   2HG2  THR 577          2HG2      THR 577   5.968   2.100   8.756
  145   3HG2  THR 577          3HG2      THR 577   7.708   2.216   9.027
  146    H    TYR 578           H        TYR 578   4.695   1.952   5.809
  147    HA   TYR 578           HA       TYR 578   6.681   2.579   3.658
  148   1HB   TYR 578          1HB       TYR 578   3.701   3.120   3.589
  149   2HB   TYR 578          2HB       TYR 578   4.840   3.232   2.248
  150    HD1  TYR 578           HD1      TYR 578   3.104   0.898   4.548
  151    HD2  TYR 578           HD2      TYR 578   5.581   1.275   1.057
  152    HE1  TYR 578           HE1      TYR 578   2.726  -1.497   4.020
  153    HE2  TYR 578           HE2      TYR 578   5.203  -1.119   0.531
  154    HH   TYR 578           HH       TYR 578   4.587  -3.216   1.853
  155    H    SER 579           H        SER 579   7.592   4.571   3.812
  156    HA   SER 579           HA       SER 579   6.396   6.524   5.702
  157   1HB   SER 579          1HB       SER 579   9.101   6.369   4.352
  158   2HB   SER 579          2HB       SER 579   8.591   7.737   5.335
  159    HG   SER 579           HG       SER 579   8.479   6.424   7.096
  160    H    VAL 580           H        VAL 580   5.681   8.554   5.026
  161    HA   VAL 580           HA       VAL 580   5.790   9.079   2.083
  162    HB   VAL 580           HB       VAL 580   3.460   9.407   3.992
  163   1HG1  VAL 580          1HG1      VAL 580   3.676  11.378   2.496
  164   2HG1  VAL 580          2HG1      VAL 580   3.691  10.294   1.102
  165   3HG1  VAL 580          3HG1      VAL 580   2.250  10.411   2.117
  166   1HG2  VAL 580          1HG2      VAL 580   4.247   7.518   1.872
  167   2HG2  VAL 580          2HG2      VAL 580   3.114   7.304   3.207
  168   3HG2  VAL 580          3HG2      VAL 580   2.595   8.121   1.732
  169    H    SER 581           H        SER 581   5.569  11.418   1.550
  170    HA   SER 581           HA       SER 581   6.726  13.098   3.736
  171   1HB   SER 581          1HB       SER 581   7.635  12.635   1.125
  172   2HB   SER 581          2HB       SER 581   6.910  14.239   1.066
  173    HG   SER 581           HG       SER 581   8.581  14.927   2.119
  174    H    GLY 582           H        GLY 582   4.137  12.807   1.406
  175   1HA   GLY 582          1HA       GLY 582   2.518  14.487   0.789
  176   2HA   GLY 582          2HA       GLY 582   3.164  15.531   2.055
  177    H    SER 583           H        SER 583   1.492  12.392   1.655
  178    HA   SER 583           HA       SER 583   0.066  11.265   3.169
  179   1HB   SER 583          1HB       SER 583   1.566  12.830   4.890
  180   2HB   SER 583          2HB       SER 583  -0.080  13.364   5.212
  181    HG   SER 583           HG       SER 583  -0.632  11.336   5.785
  182    H    SER 584           H        SER 584  -0.521  14.760   3.717
  183    HA   SER 584           HA       SER 584  -3.281  14.754   3.794
  184   1HB   SER 584          1HB       SER 584  -1.889  16.828   2.117
  185   2HB   SER 584          2HB       SER 584  -3.225  17.034   3.247
  186    HG   SER 584           HG       SER 584  -1.420  17.755   4.284
  187    H    SER 585           H        SER 585  -1.239  14.270   0.980
  188    HA   SER 585           HA       SER 585  -3.702  14.049  -0.700
  189   1HB   SER 585          1HB       SER 585  -2.151  15.686  -1.598
  190   2HB   SER 585          2HB       SER 585  -0.810  14.550  -1.466
  191    HG   SER 585           HG       SER 585  -1.808  14.737  -3.594
  192    H    TRP 586           H        TRP 586  -3.719  11.876   0.597
  193    HA   TRP 586           HA       TRP 586  -1.808   9.861  -0.283
  194   1HB   TRP 586          1HB       TRP 586  -4.198   9.923   1.481
  195   2HB   TRP 586          2HB       TRP 586  -3.805   8.374   0.737
  196    HD1  TRP 586           HD1      TRP 586  -2.763  10.657   3.500
  197    HE1  TRP 586           HE1      TRP 586  -0.669   9.711   4.658
  198    HE3  TRP 586           HE3      TRP 586  -1.469   6.999   0.188
  199    HZ2  TRP 586           HZ2      TRP 586   1.278   7.695   4.264
  200    HZ3  TRP 586           HZ3      TRP 586   0.517   5.574   0.610
  201    HH2  TRP 586           HH2      TRP 586   1.893   5.917   2.641
  202    H    VAL 587           H        VAL 587  -1.887   8.768  -2.128
  203    HA   VAL 587           HA       VAL 587  -4.411   7.923  -3.318
  204    HB   VAL 587           HB       VAL 587  -4.058  10.317  -4.112
  205   1HG1  VAL 587          1HG1      VAL 587  -1.557  10.065  -4.285
  206   2HG1  VAL 587          2HG1      VAL 587  -1.814   9.039  -5.698
  207   3HG1  VAL 587          3HG1      VAL 587  -2.311  10.731  -5.734
  208   1HG2  VAL 587          1HG2      VAL 587  -4.896   7.998  -5.463
  209   2HG2  VAL 587          2HG2      VAL 587  -5.268   9.666  -5.907
  210   3HG2  VAL 587          3HG2      VAL 587  -3.873   8.855  -6.618
  211    H    VAL 588           H        VAL 588  -1.936   6.758  -2.257
  212    HA   VAL 588           HA       VAL 588  -0.361   5.822  -4.533
  213    HB   VAL 588           HB       VAL 588   0.651   5.962  -2.278
  214   1HG1  VAL 588          1HG1      VAL 588  -1.540   3.960  -1.670
  215   2HG1  VAL 588          2HG1      VAL 588  -0.136   4.180  -0.624
  216   3HG1  VAL 588          3HG1      VAL 588  -1.256   5.516  -0.889
  217   1HG2  VAL 588          1HG2      VAL 588   0.719   3.725  -4.050
  218   2HG2  VAL 588          2HG2      VAL 588   1.960   4.217  -2.894
  219   3HG2  VAL 588          3HG2      VAL 588   0.706   3.077  -2.406
  220    H    THR 589           H        THR 589  -0.418   3.729  -5.396
  221    HA   THR 589           HA       THR 589  -2.903   2.213  -4.762
  222    HB   THR 589           HB       THR 589  -1.279   2.338  -7.321
  223    HG1  THR 589           HG1      THR 589  -2.670   4.022  -7.212
  224   1HG2  THR 589          1HG2      THR 589  -2.819   0.185  -6.289
  225   2HG2  THR 589          2HG2      THR 589  -3.756   0.919  -7.590
  226   3HG2  THR 589          3HG2      THR 589  -2.119   0.338  -7.899
  227    H    LEU 590           H        LEU 590  -2.445   0.486  -3.499
  228    HA   LEU 590           HA       LEU 590   0.260  -0.608  -3.358
  229   1HB   LEU 590          1HB       LEU 590  -2.351  -1.147  -1.980
  230   2HB   LEU 590          2HB       LEU 590  -1.064  -2.350  -1.881
  231    HG   LEU 590           HG       LEU 590  -1.073  -0.626  -0.013
  232   1HD1  LEU 590          1HD1      LEU 590   1.120  -1.573  -1.671
  233   2HD1  LEU 590          2HD1      LEU 590   1.518  -0.034  -0.907
  234   3HD1  LEU 590          3HD1      LEU 590   1.038  -1.412   0.083
  235   1HD2  LEU 590          1HD2      LEU 590  -1.562   1.200  -1.887
  236   2HD2  LEU 590          2HD2      LEU 590  -0.631   1.610  -0.446
  237   3HD2  LEU 590          3HD2      LEU 590   0.198   1.260  -1.962
  238    H    GLY 591           H        GLY 591   1.020  -2.235  -4.612
  239   1HA   GLY 591          1HA       GLY 591   0.692  -3.520  -6.690
  240   2HA   GLY 591          2HA       GLY 591  -0.975  -3.806  -6.190
  241    H    LEU 592           H        LEU 592  -1.355  -5.366  -4.490
  242    HA   LEU 592           HA       LEU 592   0.731  -6.797  -3.164
  243   1HB   LEU 592          1HB       LEU 592  -2.061  -7.790  -3.781
  244   2HB   LEU 592          2HB       LEU 592  -1.024  -8.260  -2.444
  245    HG   LEU 592           HG       LEU 592  -2.321  -5.567  -2.882
  246   1HD1  LEU 592          1HD1      LEU 592  -2.753  -7.909  -1.101
  247   2HD1  LEU 592          2HD1      LEU 592  -2.908  -6.321  -0.352
  248   3HD1  LEU 592          3HD1      LEU 592  -3.918  -6.746  -1.734
  249   1HD2  LEU 592          1HD2      LEU 592   0.085  -6.358  -1.364
  250   2HD2  LEU 592          2HD2      LEU 592  -0.432  -4.759  -1.895
  251   3HD2  LEU 592          3HD2      LEU 592  -1.104  -5.458  -0.422
  252    H    ASN 593           H        ASN 593   0.244  -9.477  -3.573
  253    HA   ASN 593           HA       ASN 593   1.106  -9.836  -6.414
  254   1HB   ASN 593          1HB       ASN 593   1.597 -11.919  -4.315
  255   2HB   ASN 593          2HB       ASN 593   2.560 -11.517  -5.737
  256   2HD2  ASN 593          2HD2      ASN 593   3.139 -11.571  -2.651
  257   1HD2  ASN 593          1HD2      ASN 593   3.921 -10.088  -2.388
  258    H    GLY 594           H        GLY 594  -1.654  -9.700  -5.772
  259   1HA   GLY 594          1HA       GLY 594  -2.771 -11.847  -7.115
  260   2HA   GLY 594          2HA       GLY 594  -3.653 -10.949  -5.880
  261    H    GLY 595           H        GLY 595  -3.016 -11.639  -3.549
  262   1HA   GLY 595          1HA       GLY 595  -1.919 -14.251  -3.085
  263   2HA   GLY 595          2HA       GLY 595  -3.681 -14.349  -3.142
  264    H    GLN 596           H        GLN 596  -1.515 -11.814  -1.849
  265    HA   GLN 596           HA       GLN 596  -2.242 -12.469   0.910
  266   1HB   GLN 596          1HB       GLN 596  -0.905  -9.909   0.053
  267   2HB   GLN 596          2HB       GLN 596  -0.685 -10.826   1.545
  268   1HG   GLN 596          1HG       GLN 596   1.081 -11.846   0.599
  269   2HG   GLN 596          2HG       GLN 596  -0.022 -12.590  -0.559
  270   2HE2  GLN 596          2HE2      GLN 596   1.264  -9.237  -0.110
  271   1HE2  GLN 596          1HE2      GLN 596   1.732  -9.049  -1.730
  272    H    SER 597           H        SER 597  -3.070 -10.582   2.326
  273    HA   SER 597           HA       SER 597  -4.877  -8.725   0.911
  274   1HB   SER 597          1HB       SER 597  -6.020 -10.577   3.007
  275   2HB   SER 597          2HB       SER 597  -6.891  -9.509   1.910
  276    HG   SER 597           HG       SER 597  -6.281 -10.826   0.204
  277    H    VAL 598           H        VAL 598  -5.475  -6.946   2.236
  278    HA   VAL 598           HA       VAL 598  -3.659  -6.354   4.399
  279    HB   VAL 598           HB       VAL 598  -6.219  -4.967   3.543
  280   1HG1  VAL 598          1HG1      VAL 598  -4.464  -4.576   5.809
  281   2HG1  VAL 598          2HG1      VAL 598  -4.401  -3.173   4.744
  282   3HG1  VAL 598          3HG1      VAL 598  -5.946  -3.716   5.396
  283   1HG2  VAL 598          1HG2      VAL 598  -3.403  -4.947   2.602
  284   2HG2  VAL 598          2HG2      VAL 598  -4.885  -4.569   1.724
  285   3HG2  VAL 598          3HG2      VAL 598  -4.158  -3.363   2.785
  286    H    GLN 599           H        GLN 599  -3.837  -7.316   6.366
  287    HA   GLN 599           HA       GLN 599  -6.472  -8.257   7.310
  288   1HB   GLN 599          1HB       GLN 599  -4.322  -9.602   7.551
  289   2HB   GLN 599          2HB       GLN 599  -3.821  -8.422   8.762
  290   1HG   GLN 599          1HG       GLN 599  -6.536  -9.307   9.264
  291   2HG   GLN 599          2HG       GLN 599  -5.435 -10.683   9.188
  292   2HE2  GLN 599          2HE2      GLN 599  -6.584  -9.963  11.675
  293   1HE2  GLN 599          1HE2      GLN 599  -5.374  -9.329  12.682
  294    H    SER 600           H        SER 600  -4.183  -5.678   7.918
  295    HA   SER 600           HA       SER 600  -6.148  -4.176   9.418
  296   1HB   SER 600          1HB       SER 600  -4.376  -5.936  10.891
  297   2HB   SER 600          2HB       SER 600  -4.086  -4.255  11.328
  298    HG   SER 600           HG       SER 600  -6.135  -5.846  11.990
  299    H    SER 601           H        SER 601  -5.110  -2.088  10.257
  300    HA   SER 601           HA       SER 601  -2.480  -1.379   9.231
  301   1HB   SER 601          1HB       SER 601  -3.052  -0.054   7.405
  302   2HB   SER 601          2HB       SER 601  -4.226  -1.356   7.246
  303    HG   SER 601           HG       SER 601  -4.558   1.289   8.078
  304    H    TRP 602           H        TRP 602  -2.010   0.958   9.706
  305    HA   TRP 602           HA       TRP 602  -3.924   2.358  11.443
  306   1HB   TRP 602          1HB       TRP 602  -2.278   2.484  13.336
  307   2HB   TRP 602          2HB       TRP 602  -2.914   0.861  13.068
  308    HD1  TRP 602           HD1      TRP 602   0.216   2.987  12.396
  309    HE1  TRP 602           HE1      TRP 602   2.215   1.414  12.054
  310    HE3  TRP 602           HE3      TRP 602  -2.190  -1.516  12.476
  311    HZ2  TRP 602           HZ2      TRP 602   2.738  -1.394  11.841
  312    HZ3  TRP 602           HZ3      TRP 602  -0.916  -3.624  12.201
  313    HH2  TRP 602           HH2      TRP 602   1.543  -3.569  11.884
  314    H    ASN 603           H        ASN 603  -3.154   4.549  11.960
  315    HA   ASN 603           HA       ASN 603  -1.916   6.512  11.535
  316   1HB   ASN 603          1HB       ASN 603  -0.020   4.450  11.180
  317   2HB   ASN 603          2HB       ASN 603   0.111   5.478   9.752
  318   2HD2  ASN 603          2HD2      ASN 603   0.220   5.555  13.328
  319   1HD2  ASN 603          1HD2      ASN 603   1.099   7.003  13.428
  320    H    ALA 604           H        ALA 604  -3.883   5.027   9.654
  321    HA   ALA 604           HA       ALA 604  -4.312   6.981   7.744
  322   1HB   ALA 604          1HB       ALA 604  -2.064   5.168   7.004
  323   2HB   ALA 604          2HB       ALA 604  -2.335   6.856   6.570
  324   3HB   ALA 604          3HB       ALA 604  -3.215   5.578   5.732
  325    H    ALA 605           H        ALA 605  -5.818   6.276   6.042
  326    HA   ALA 605           HA       ALA 605  -7.155   3.725   6.799
  327   1HB   ALA 605          1HB       ALA 605  -9.153   4.665   6.102
  328   2HB   ALA 605          2HB       ALA 605  -8.290   6.124   6.586
  329   3HB   ALA 605          3HB       ALA 605  -8.374   5.673   4.884
  330    H    LEU 606           H        LEU 606  -7.841   2.262   5.095
  331    HA   LEU 606           HA       LEU 606  -6.225   2.558   2.593
  332   1HB   LEU 606          1HB       LEU 606  -6.448   0.370   4.508
  333   2HB   LEU 606          2HB       LEU 606  -6.845  -0.150   2.869
  334    HG   LEU 606           HG       LEU 606  -4.738   0.770   2.030
  335   1HD1  LEU 606          1HD1      LEU 606  -4.773   2.575   3.930
  336   2HD1  LEU 606          2HD1      LEU 606  -3.893   1.361   4.861
  337   3HD1  LEU 606          3HD1      LEU 606  -3.216   1.976   3.352
  338   1HD2  LEU 606          1HD2      LEU 606  -4.827  -1.553   3.047
  339   2HD2  LEU 606          2HD2      LEU 606  -3.224  -0.815   3.057
  340   3HD2  LEU 606          3HD2      LEU 606  -4.186  -0.854   4.535
  341    H    THR 607           H        THR 607  -7.222   1.402   0.695
  342    HA   THR 607           HA       THR 607 -10.202   1.293   0.898
  343    HB   THR 607           HB       THR 607  -8.796   2.360  -1.548
  344    HG1  THR 607           HG1      THR 607  -9.073   4.415  -0.694
  345   1HG2  THR 607          1HG2      THR 607 -11.552   2.053  -0.551
  346   2HG2  THR 607          2HG2      THR 607 -11.205   3.634  -1.252
  347   3HG2  THR 607          3HG2      THR 607 -10.960   2.173  -2.208
  348    H    GLY 608           H        GLY 608 -10.217  -0.987   0.853
  349   1HA   GLY 608          1HA       GLY 608  -9.054  -2.235  -1.604
  350   2HA   GLY 608          2HA       GLY 608 -10.678  -2.639  -1.046
  351    H    SER 609           H        SER 609  -9.149  -4.786  -1.236
  352    HA   SER 609           HA       SER 609  -7.521  -5.285   1.128
  353   1HB   SER 609          1HB       SER 609 -10.339  -6.359   0.950
  354   2HB   SER 609          2HB       SER 609  -9.099  -7.147   1.923
  355    HG   SER 609           HG       SER 609  -8.798  -5.042   2.924
  356    H    SER 610           H        SER 610  -7.442  -5.582  -1.836
  357    HA   SER 610           HA       SER 610  -5.933  -7.880  -2.140
  358   1HB   SER 610          1HB       SER 610  -7.948  -9.237  -3.355
  359   2HB   SER 610          2HB       SER 610  -7.460  -9.519  -1.688
  360    HG   SER 610           HG       SER 610  -9.526  -7.814  -2.634
  361    H    GLY 611           H        GLY 611  -4.898  -6.923  -3.850
  362   1HA   GLY 611          1HA       GLY 611  -6.577  -6.243  -6.233
  363   2HA   GLY 611          2HA       GLY 611  -4.946  -6.905  -6.351
  364    H    THR 612           H        THR 612  -6.827  -4.041  -5.517
  365    HA   THR 612           HA       THR 612  -4.292  -2.452  -5.551
  366    HB   THR 612           HB       THR 612  -6.920  -1.869  -6.940
  367    HG1  THR 612           HG1      THR 612  -5.824  -2.543  -8.574
  368   1HG2  THR 612          1HG2      THR 612  -4.670  -0.069  -6.113
  369   2HG2  THR 612          2HG2      THR 612  -5.503   0.242  -7.637
  370   3HG2  THR 612          3HG2      THR 612  -6.405   0.246  -6.122
  371    H    VAL 613           H        VAL 613  -4.148  -1.888  -3.398
  372    HA   VAL 613           HA       VAL 613  -6.606  -0.840  -2.080
  373    HB   VAL 613           HB       VAL 613  -4.146  -2.255  -1.145
  374   1HG1  VAL 613          1HG1      VAL 613  -4.029  -0.115   0.060
  375   2HG1  VAL 613          2HG1      VAL 613  -5.699  -0.315   0.588
  376   3HG1  VAL 613          3HG1      VAL 613  -4.454  -1.432   1.152
  377   1HG2  VAL 613          1HG2      VAL 613  -7.104  -2.279  -0.538
  378   2HG2  VAL 613          2HG2      VAL 613  -6.120  -3.567  -1.235
  379   3HG2  VAL 613          3HG2      VAL 613  -5.946  -3.146   0.469
  380    H    THR 614           H        THR 614  -6.699   1.361  -2.354
  381    HA   THR 614           HA       THR 614  -4.176   2.891  -2.489
  382    HB   THR 614           HB       THR 614  -6.845   4.226  -2.631
  383    HG1  THR 614           HG1      THR 614  -7.293   3.389  -4.557
  384   1HG2  THR 614          1HG2      THR 614  -4.511   5.305  -2.896
  385   2HG2  THR 614          2HG2      THR 614  -4.466   4.501  -4.464
  386   3HG2  THR 614          3HG2      THR 614  -5.725   5.686  -4.119
  387    H    ALA 615           H        ALA 615  -3.611   4.503  -0.991
  388    HA   ALA 615           HA       ALA 615  -4.761   4.144   1.689
  389   1HB   ALA 615          1HB       ALA 615  -3.015   6.382   1.681
  390   2HB   ALA 615          2HB       ALA 615  -2.671   4.754   2.265
  391   3HB   ALA 615          3HB       ALA 615  -2.307   5.184   0.595
  392    H    ARG 616           H        ARG 616  -5.345   6.172   2.977
  393    HA   ARG 616           HA       ARG 616  -6.513   8.331   1.314
  394   1HB   ARG 616          1HB       ARG 616  -8.043   6.215   2.624
  395   2HB   ARG 616          2HB       ARG 616  -8.524   7.821   3.172
  396   1HG   ARG 616          1HG       ARG 616  -9.131   8.516   1.015
  397   2HG   ARG 616          2HG       ARG 616  -8.154   7.271   0.236
  398   1HD   ARG 616          1HD       ARG 616 -10.182   6.233   0.007
  399   2HD   ARG 616          2HD       ARG 616  -9.841   5.701   1.654
  400    HE   ARG 616           HE       ARG 616 -11.126   8.011   2.168
  401   1HH1  ARG 616          1HH1      ARG 616 -11.947   5.051   0.759
  402   2HH1  ARG 616          2HH1      ARG 616 -13.564   5.509   0.343
  403   1HH2  ARG 616          1HH2      ARG 616 -13.138   8.831   1.244
  404   2HH2  ARG 616          2HH2      ARG 616 -14.239   7.649   0.617
  405    HA   PRO 617           HA       PRO 617  -5.224  10.734   4.759
  406   1HB   PRO 617          1HB       PRO 617  -6.796  12.947   4.328
  407   2HB   PRO 617          2HB       PRO 617  -5.363  12.562   3.359
  408   1HG   PRO 617          1HG       PRO 617  -8.245  12.293   2.636
  409   2HG   PRO 617          2HG       PRO 617  -6.842  12.534   1.583
  410   1HD   PRO 617          1HD       PRO 617  -8.181  10.080   2.020
  411   2HD   PRO 617          2HD       PRO 617  -6.595  10.281   1.246
  412    H    ASN 618           H        ASN 618  -5.845  10.840   6.907
  413    HA   ASN 618           HA       ASN 618  -8.685  11.157   7.620
  414   1HB   ASN 618          1HB       ASN 618  -7.168   8.741   8.638
  415   2HB   ASN 618          2HB       ASN 618  -8.883   9.106   8.843
  416   2HD2  ASN 618          2HD2      ASN 618 -10.320   8.608   7.091
  417   1HD2  ASN 618          1HD2      ASN 618  -9.809   7.803   5.687
  418    H    GLY 619           H        GLY 619  -6.033  12.536   8.006
  419   1HA   GLY 619          1HA       GLY 619  -5.423  12.232  10.850
  420   2HA   GLY 619          2HA       GLY 619  -6.331  13.697  10.477
  421    H    SER 620           H        SER 620  -3.259  12.063  10.139
  422    HA   SER 620           HA       SER 620  -1.996  13.842   8.304
  423   1HB   SER 620          1HB       SER 620  -2.138  14.732  11.155
  424   2HB   SER 620          2HB       SER 620  -0.628  14.991  10.285
  425    HG   SER 620           HG       SER 620  -1.583  16.428   9.058
  426    H    GLY 621           H        GLY 621  -1.712  11.195   8.480
  427   1HA   GLY 621          1HA       GLY 621  -0.267   9.509   9.670
  428   2HA   GLY 621          2HA       GLY 621   0.925  10.799   9.840
  429    H    ASN 622           H        ASN 622   2.546  10.657   8.373
  430    HA   ASN 622           HA       ASN 622   1.921  10.027   5.560
  431   1HB   ASN 622          1HB       ASN 622   4.617  10.629   6.813
  432   2HB   ASN 622          2HB       ASN 622   4.201  10.696   5.100
  433   2HD2  ASN 622          2HD2      ASN 622   4.195  12.885   4.549
  434   1HD2  ASN 622          1HD2      ASN 622   3.408  14.102   5.431
  435    H    SER 623           H        SER 623   3.229   8.466   8.374
  436    HA   SER 623           HA       SER 623   4.167   6.187   6.690
  437   1HB   SER 623          1HB       SER 623   4.780   6.973   9.550
  438   2HB   SER 623          2HB       SER 623   5.268   5.433   8.847
  439    HG   SER 623           HG       SER 623   5.879   7.968   7.725
  440    H    PHE 624           H        PHE 624   2.800   4.479   6.575
  441    HA   PHE 624           HA       PHE 624   1.015   3.958   8.914
  442   1HB   PHE 624          1HB       PHE 624  -0.826   3.455   7.448
  443   2HB   PHE 624          2HB       PHE 624  -0.190   5.024   6.954
  444    HD1  PHE 624           HD1      PHE 624   1.694   4.965   5.111
  445    HD2  PHE 624           HD2      PHE 624  -1.093   1.779   5.843
  446    HE1  PHE 624           HE1      PHE 624   2.105   4.079   2.829
  447    HE2  PHE 624           HE2      PHE 624  -0.682   0.895   3.562
  448    HZ   PHE 624           HZ       PHE 624   0.918   2.044   2.057
  449    H    GLY 625           H        GLY 625   0.754   1.775   9.431
  450   1HA   GLY 625          1HA       GLY 625   1.950  -0.329   9.629
  451   2HA   GLY 625          2HA       GLY 625   2.593  -0.079   8.004
  452    H    VAL 626           H        VAL 626   1.824  -2.086   7.199
  453    HA   VAL 626           HA       VAL 626  -1.121  -2.515   7.281
  454    HB   VAL 626           HB       VAL 626   0.517  -2.639   4.732
  455   1HG1  VAL 626          1HG1      VAL 626  -1.450  -4.141   4.832
  456   2HG1  VAL 626          2HG1      VAL 626  -2.470  -2.765   5.251
  457   3HG1  VAL 626          3HG1      VAL 626  -1.696  -2.838   3.668
  458   1HG2  VAL 626          1HG2      VAL 626  -0.859  -0.418   6.096
  459   2HG2  VAL 626          2HG2      VAL 626   0.348  -0.372   4.812
  460   3HG2  VAL 626          3HG2      VAL 626  -1.349  -0.639   4.417
  461    H    THR 627           H        THR 627  -1.620  -4.649   7.570
  462    HA   THR 627           HA       THR 627   0.613  -6.571   7.723
  463    HB   THR 627           HB       THR 627  -2.339  -6.940   8.323
  464    HG1  THR 627           HG1      THR 627  -1.508  -6.805  10.507
  465   1HG2  THR 627          1HG2      THR 627   0.096  -8.670   8.584
  466   2HG2  THR 627          2HG2      THR 627  -1.200  -8.826   9.771
  467   3HG2  THR 627          3HG2      THR 627  -1.531  -9.105   8.062
  468    H    PHE 628           H        PHE 628   0.657  -8.532   6.489
  469    HA   PHE 628           HA       PHE 628  -1.239  -8.655   4.192
  470   1HB   PHE 628          1HB       PHE 628   1.781  -8.883   4.001
  471   2HB   PHE 628          2HB       PHE 628   0.651  -9.152   2.673
  472    HD1  PHE 628           HD1      PHE 628  -0.925  -7.239   2.018
  473    HD2  PHE 628           HD2      PHE 628   2.519  -6.699   4.529
  474    HE1  PHE 628           HE1      PHE 628  -0.962  -4.803   1.546
  475    HE2  PHE 628           HE2      PHE 628   2.481  -4.263   4.057
  476    HZ   PHE 628           HZ       PHE 628   0.741  -3.316   2.566
  477    H    TYR 629           H        TYR 629  -2.083 -10.673   4.058
  478    HA   TYR 629           HA       TYR 629  -1.085 -12.821   5.734
  479   1HB   TYR 629          1HB       TYR 629  -3.316 -12.471   3.775
  480   2HB   TYR 629          2HB       TYR 629  -2.810 -14.116   4.162
  481    HD1  TYR 629           HD1      TYR 629  -2.593 -14.731   6.671
  482    HD2  TYR 629           HD2      TYR 629  -4.735 -11.296   5.236
  483    HE1  TYR 629           HE1      TYR 629  -3.836 -14.612   8.814
  484    HE2  TYR 629           HE2      TYR 629  -5.978 -11.176   7.379
  485    HH   TYR 629           HH       TYR 629  -5.485 -13.615   9.927
  486    H    LYS 630           H        LYS 630   0.160 -14.587   5.131
  487    HA   LYS 630           HA       LYS 630   1.475 -14.394   2.481
  488   1HB   LYS 630          1HB       LYS 630   2.119 -16.310   4.735
  489   2HB   LYS 630          2HB       LYS 630   3.154 -15.854   3.381
  490   1HG   LYS 630          1HG       LYS 630   3.415 -13.622   4.215
  491   2HG   LYS 630          2HG       LYS 630   2.145 -13.856   5.417
  492   1HD   LYS 630          1HD       LYS 630   4.056 -14.168   6.714
  493   2HD   LYS 630          2HD       LYS 630   3.690 -15.827   6.237
  494   1HE   LYS 630          1HE       LYS 630   5.262 -14.637   4.166
  495   2HE   LYS 630          2HE       LYS 630   6.062 -14.329   5.707
  496   1HZ   LYS 630          1HZ       LYS 630   5.373 -16.863   6.035
  497   2HZ   LYS 630          2HZ       LYS 630   5.555 -16.851   4.349
  498   3HZ   LYS 630          3HZ       LYS 630   6.853 -16.393   5.344
  499    H    ASN 631           H        ASN 631   0.361 -17.157   4.475
  500    HA   ASN 631           HA       ASN 631  -0.490 -19.236   3.750
  501   1HB   ASN 631          1HB       ASN 631  -2.119 -17.465   1.909
  502   2HB   ASN 631          2HB       ASN 631  -2.582 -19.031   2.577
  503   2HD2  ASN 631          2HD2      ASN 631  -4.347 -16.997   3.110
  504   1HD2  ASN 631          1HD2      ASN 631  -4.211 -16.477   4.720
  505    H    GLY 632           H        GLY 632   1.875 -18.260   2.291
  506   1HA   GLY 632          1HA       GLY 632   1.360 -19.613  -0.329
  507   2HA   GLY 632          2HA       GLY 632   2.871 -19.785   0.566
  508    H    SER 633           H        SER 633   2.223 -16.707   1.161
  509    HA   SER 633           HA       SER 633   3.328 -15.705  -1.430
  510   1HB   SER 633          1HB       SER 633   2.172 -13.906   0.678
  511   2HB   SER 633          2HB       SER 633   2.248 -13.668  -1.065
  512    HG   SER 633           HG       SER 633   0.315 -14.477  -1.092
  513    H    SER 634           H        SER 634   5.492 -15.376  -1.318
  514    HA   SER 634           HA       SER 634   6.655 -14.565   1.314
  515   1HB   SER 634          1HB       SER 634   8.073 -15.816  -1.053
  516   2HB   SER 634          2HB       SER 634   8.752 -15.522   0.545
  517    HG   SER 634           HG       SER 634   7.138 -16.956   1.365
  518    H    ALA 635           H        ALA 635   5.730 -13.294  -1.606
  519    HA   ALA 635           HA       ALA 635   8.039 -11.484  -1.922
  520   1HB   ALA 635          1HB       ALA 635   5.442 -11.199  -3.411
  521   2HB   ALA 635          2HB       ALA 635   7.080 -10.841  -3.958
  522   3HB   ALA 635          3HB       ALA 635   6.545 -12.515  -3.814
  523    H    THR 636           H        THR 636   8.037  -9.338  -1.304
  524    HA   THR 636           HA       THR 636   5.868  -8.494   0.509
  525    HB   THR 636           HB       THR 636   8.298  -6.860  -0.218
  526    HG1  THR 636           HG1      THR 636   8.380  -8.573   1.963
  527   1HG2  THR 636          1HG2      THR 636   6.571  -7.150   2.253
  528   2HG2  THR 636          2HG2      THR 636   8.041  -6.178   2.184
  529   3HG2  THR 636          3HG2      THR 636   6.657  -5.755   1.177
  530    HA   PRO 637           HA       PRO 637   3.980  -6.020  -2.630
  531   1HB   PRO 637          1HB       PRO 637   2.387  -4.515  -0.969
  532   2HB   PRO 637          2HB       PRO 637   2.029  -6.193  -1.414
  533   1HG   PRO 637          1HG       PRO 637   3.080  -5.116   1.164
  534   2HG   PRO 637          2HG       PRO 637   2.127  -6.579   0.863
  535   1HD   PRO 637          1HD       PRO 637   4.912  -6.494   1.320
  536   2HD   PRO 637          2HD       PRO 637   4.008  -7.876   0.665
  537    H    GLY 638           H        GLY 638   3.652  -3.592  -3.094
  538   1HA   GLY 638          1HA       GLY 638   5.771  -2.045  -3.368
  539   2HA   GLY 638          2HA       GLY 638   5.587  -1.878  -1.623
  540    H    ALA 639           H        ALA 639   5.157   0.391  -1.866
  541    HA   ALA 639           HA       ALA 639   2.342   0.951  -2.615
  542   1HB   ALA 639          1HB       ALA 639   4.040   1.845  -0.534
  543   2HB   ALA 639          2HB       ALA 639   3.756   3.239  -1.575
  544   3HB   ALA 639          3HB       ALA 639   2.391   2.372  -0.872
  545    H    THR 640           H        THR 640   1.836   2.197  -4.361
  546    HA   THR 640           HA       THR 640   4.080   3.075  -6.099
  547    HB   THR 640           HB       THR 640   1.252   3.332  -6.906
  548    HG1  THR 640           HG1      THR 640   1.507   0.998  -7.527
  549   1HG2  THR 640          1HG2      THR 640   3.806   2.406  -8.233
  550   2HG2  THR 640          2HG2      THR 640   2.238   2.425  -9.040
  551   3HG2  THR 640          3HG2      THR 640   2.966   3.935  -8.493
  552    H    CYS 641           H        CYS 641   4.317   5.179  -6.755
  553    HA   CYS 641           HA       CYS 641   2.324   7.224  -6.190
  554   1HB   CYS 641          1HB       CYS 641   4.699   6.871  -4.429
  555   2HB   CYS 641          2HB       CYS 641   4.283   8.522  -4.885
  556    H    ALA 642           H        ALA 642   2.877   6.964  -8.614
  557    HA   ALA 642           HA       ALA 642   4.851   9.070  -9.295
  558   1HB   ALA 642          1HB       ALA 642   5.000   6.919 -11.230
  559   2HB   ALA 642          2HB       ALA 642   5.428   6.332  -9.623
  560   3HB   ALA 642          3HB       ALA 642   6.305   7.689 -10.327
  561    H    THR 643           H        THR 643   4.559   9.751 -11.625
  562    HA   THR 643           HA       THR 643   1.695   9.415 -12.398
  563    HB   THR 643           HB       THR 643   1.886  11.561 -13.533
  564    HG1  THR 643           HG1      THR 643   3.850  11.929 -14.196
  565   1HG2  THR 643          1HG2      THR 643   2.809  11.390 -10.674
  566   2HG2  THR 643          2HG2      THR 643   2.623  12.959 -11.459
  567   3HG2  THR 643          3HG2      THR 643   1.235  11.883 -11.301
  568    H    GLY 644           H        GLY 644   1.667   7.793 -13.876
  569   1HA   GLY 644          1HA       GLY 644   3.804   7.193 -15.694
  570   2HA   GLY 644          2HA       GLY 644   2.567   8.144 -16.517

  No H/Q in entry =         570
  Start of MODEL    2
    1    H1   THR 557           H1       THR 557  10.795   9.530  -9.684
    2    H2   THR 557           H2       THR 557  11.412   9.265 -11.246
    3    H3   THR 557           H3       THR 557  12.469   9.391  -9.922
    4    HA   THR 557           HA       THR 557  12.029  11.683  -9.645
    5    HB   THR 557           HB       THR 557  12.304  10.997 -12.589
    6    HG1  THR 557           HG1      THR 557  13.962  10.085 -11.500
    7   1HG2  THR 557          1HG2      THR 557  12.028  13.512 -11.270
    8   2HG2  THR 557          2HG2      THR 557  13.701  13.363 -11.809
    9   3HG2  THR 557          3HG2      THR 557  12.383  13.206 -12.970
   10    H    GLY 558           H        GLY 558  10.656  13.482  -9.977
   11   1HA   GLY 558          1HA       GLY 558   8.590  13.742 -11.858
   12   2HA   GLY 558          2HA       GLY 558   8.550  14.488 -10.260
   13    H    SER 559           H        SER 559   7.900  12.918  -8.449
   14    HA   SER 559           HA       SER 559   5.365  11.722  -9.114
   15   1HB   SER 559          1HB       SER 559   6.511   9.416  -8.109
   16   2HB   SER 559          2HB       SER 559   6.124   9.703  -9.803
   17    HG   SER 559           HG       SER 559   8.331   9.099  -9.433
   18    H    CYS 560           H        CYS 560   4.518  10.474  -7.108
   19    HA   CYS 560           HA       CYS 560   4.775  12.147  -4.822
   20   1HB   CYS 560          1HB       CYS 560   2.859  11.026  -4.430
   21   2HB   CYS 560          2HB       CYS 560   3.286   9.779  -5.590
   22    H    SER 561           H        SER 561   5.509  11.247  -2.611
   23    HA   SER 561           HA       SER 561   8.124   9.842  -3.001
   24   1HB   SER 561          1HB       SER 561   7.321  11.869  -0.891
   25   2HB   SER 561          2HB       SER 561   8.877  11.047  -0.963
   26    HG   SER 561           HG       SER 561   8.519  13.248  -2.025
   27    H    VAL 562           H        VAL 562   8.259   7.871  -2.030
   28    HA   VAL 562           HA       VAL 562   6.669   7.386   0.430
   29    HB   VAL 562           HB       VAL 562   5.647   5.398  -0.410
   30   1HG1  VAL 562          1HG1      VAL 562   4.944   7.816  -1.311
   31   2HG1  VAL 562          2HG1      VAL 562   5.382   7.087  -2.861
   32   3HG1  VAL 562          3HG1      VAL 562   4.129   6.351  -1.858
   33   1HG2  VAL 562          1HG2      VAL 562   7.671   4.656  -1.706
   34   2HG2  VAL 562          2HG2      VAL 562   6.160   4.448  -2.591
   35   3HG2  VAL 562          3HG2      VAL 562   7.225   5.801  -2.971
   36    H    SER 563           H        SER 563   7.233   5.028   1.200
   37    HA   SER 563           HA       SER 563   9.957   4.160   0.520
   38   1HB   SER 563          1HB       SER 563   9.306   5.058   3.343
   39   2HB   SER 563          2HB       SER 563  10.844   4.417   2.771
   40    HG   SER 563           HG       SER 563  10.880   6.686   2.830
   41    H    ALA 564           H        ALA 564  10.146   1.953   0.915
   42    HA   ALA 564           HA       ALA 564   7.878   0.713   2.421
   43   1HB   ALA 564          1HB       ALA 564   7.819   0.270  -0.030
   44   2HB   ALA 564          2HB       ALA 564   9.411  -0.480   0.092
   45   3HB   ALA 564          3HB       ALA 564   8.028  -1.203   0.917
   46    H    VAL 565           H        VAL 565   9.046   0.619   4.395
   47    HA   VAL 565           HA       VAL 565  11.673  -0.671   4.499
   48    HB   VAL 565           HB       VAL 565   9.901  -0.344   6.897
   49   1HG1  VAL 565          1HG1      VAL 565  12.850  -0.174   6.266
   50   2HG1  VAL 565          2HG1      VAL 565  12.198   0.458   7.777
   51   3HG1  VAL 565          3HG1      VAL 565  12.031  -1.255   7.393
   52   1HG2  VAL 565          1HG2      VAL 565  10.839   1.789   5.070
   53   2HG2  VAL 565          2HG2      VAL 565   9.532   1.820   6.253
   54   3HG2  VAL 565          3HG2      VAL 565  11.199   2.061   6.775
   55    H    ARG 566           H        ARG 566  12.028  -2.764   5.535
   56    HA   ARG 566           HA       ARG 566   9.860  -4.662   4.963
   57   1HB   ARG 566          1HB       ARG 566  12.707  -4.962   5.950
   58   2HB   ARG 566          2HB       ARG 566  11.600  -6.332   5.845
   59   1HG   ARG 566          1HG       ARG 566  11.322  -5.019   3.390
   60   2HG   ARG 566          2HG       ARG 566  13.055  -4.983   3.718
   61   1HD   ARG 566          1HD       ARG 566  11.395  -7.498   3.985
   62   2HD   ARG 566          2HD       ARG 566  12.218  -7.053   2.491
   63    HE   ARG 566           HE       ARG 566  13.517  -8.419   4.488
   64   1HH1  ARG 566          1HH1      ARG 566  14.671  -6.777   2.053
   65   2HH1  ARG 566          2HH1      ARG 566  15.955  -5.944   2.864
   66   1HH2  ARG 566          1HH2      ARG 566  14.782  -6.681   6.042
   67   2HH2  ARG 566          2HH2      ARG 566  16.018  -5.889   5.123
   68    H    GLY 567           H        GLY 567   8.617  -3.346   6.719
   69   1HA   GLY 567          1HA       GLY 567   7.515  -3.460   8.751
   70   2HA   GLY 567          2HA       GLY 567   9.138  -3.516   9.457
   71    H    GLU 568           H        GLU 568   8.041  -5.046  11.032
   72    HA   GLU 568           HA       GLU 568   8.819  -7.677  10.772
   73   1HB   GLU 568          1HB       GLU 568   6.417  -6.521  12.196
   74   2HB   GLU 568          2HB       GLU 568   6.848  -8.227  12.324
   75   1HG   GLU 568          1HG       GLU 568   8.428  -7.741  13.847
   76   2HG   GLU 568          2HG       GLU 568   9.211  -6.642  12.710
   77    H    GLU 569           H        GLU 569   7.762  -9.648  10.115
   78    HA   GLU 569           HA       GLU 569   5.206  -9.529   8.718
   79   1HB   GLU 569          1HB       GLU 569   7.265 -10.606   6.899
   80   2HB   GLU 569          2HB       GLU 569   5.861  -9.600   6.539
   81   1HG   GLU 569          1HG       GLU 569   7.017  -7.603   7.186
   82   2HG   GLU 569          2HG       GLU 569   8.348  -8.522   7.888
   83    H    TRP 570           H        TRP 570   4.536 -11.214  10.015
   84    HA   TRP 570           HA       TRP 570   6.025 -13.502  10.748
   85   1HB   TRP 570          1HB       TRP 570   3.038 -13.398  10.248
   86   2HB   TRP 570          2HB       TRP 570   3.894 -14.516  11.307
   87    HD1  TRP 570           HD1      TRP 570   4.648 -13.668  13.655
   88    HE1  TRP 570           HE1      TRP 570   4.124 -11.546  15.020
   89    HE3  TRP 570           HE3      TRP 570   2.544 -10.759  10.006
   90    HZ2  TRP 570           HZ2      TRP 570   2.967  -8.964  14.625
   91    HZ3  TRP 570           HZ3      TRP 570   1.738  -8.478  10.540
   92    HH2  TRP 570           HH2      TRP 570   1.948  -7.577  12.839
   93    H    ALA 571           H        ALA 571   5.538 -15.781   9.943
   94    HA   ALA 571           HA       ALA 571   6.108 -15.952   7.126
   95   1HB   ALA 571          1HB       ALA 571   5.722 -17.827   9.372
   96   2HB   ALA 571          2HB       ALA 571   5.243 -18.469   7.801
   97   3HB   ALA 571          3HB       ALA 571   6.887 -17.882   8.048
   98    H    ASP 572           H        ASP 572   3.170 -15.905   8.990
   99    HA   ASP 572           HA       ASP 572   1.620 -16.540   6.512
  100   1HB   ASP 572          1HB       ASP 572   0.577 -16.635   9.351
  101   2HB   ASP 572          2HB       ASP 572  -0.168 -17.314   7.903
  102    H    ARG 573           H        ARG 573   2.582 -14.041   8.542
  103    HA   ARG 573           HA       ARG 573   0.361 -12.329   7.519
  104   1HB   ARG 573          1HB       ARG 573   1.351 -12.618  10.344
  105   2HB   ARG 573          2HB       ARG 573   0.735 -11.060   9.794
  106   1HG   ARG 573          1HG       ARG 573  -1.185 -12.716   8.836
  107   2HG   ARG 573          2HG       ARG 573  -0.705 -13.584  10.293
  108   1HD   ARG 573          1HD       ARG 573  -0.823 -11.007  11.213
  109   2HD   ARG 573          2HD       ARG 573  -2.120 -11.010  10.019
  110    HE   ARG 573           HE       ARG 573  -3.356 -12.346  11.506
  111   1HH1  ARG 573          1HH1      ARG 573  -0.033 -12.249  12.371
  112   2HH1  ARG 573          2HH1      ARG 573  -0.182 -13.430  13.629
  113   1HH2  ARG 573          1HH2      ARG 573  -3.541 -14.039  13.021
  114   2HH2  ARG 573          2HH2      ARG 573  -2.168 -14.444  13.997
  115    H    PHE 574           H        PHE 574   1.002  -9.983   7.555
  116    HA   PHE 574           HA       PHE 574   3.951  -9.661   7.339
  117   1HB   PHE 574          1HB       PHE 574   1.978  -9.430   5.293
  118   2HB   PHE 574          2HB       PHE 574   2.638  -7.827   5.606
  119    HD1  PHE 574           HD1      PHE 574   3.618 -11.351   4.936
  120    HD2  PHE 574           HD2      PHE 574   4.744  -7.222   4.802
  121    HE1  PHE 574           HE1      PHE 574   5.668 -11.949   3.651
  122    HE2  PHE 574           HE2      PHE 574   6.786  -7.799   3.531
  123    HZ   PHE 574           HZ       PHE 574   7.246 -10.165   2.945
  124    H    ASN 575           H        ASN 575   4.646  -7.360   7.522
  125    HA   ASN 575           HA       ASN 575   2.768  -5.444   8.715
  126   1HB   ASN 575          1HB       ASN 575   3.853  -7.125  10.508
  127   2HB   ASN 575          2HB       ASN 575   5.170  -5.955  10.389
  128   2HD2  ASN 575          2HD2      ASN 575   1.618  -5.415  10.189
  129   1HD2  ASN 575          1HD2      ASN 575   1.563  -4.316  11.480
  130    H    VAL 576           H        VAL 576   3.786  -4.729   6.525
  131    HA   VAL 576           HA       VAL 576   6.553  -3.794   6.682
  132    HB   VAL 576           HB       VAL 576   4.555  -2.845   4.654
  133   1HG1  VAL 576          1HG1      VAL 576   6.943  -1.973   4.816
  134   2HG1  VAL 576          2HG1      VAL 576   7.458  -3.588   4.325
  135   3HG1  VAL 576          3HG1      VAL 576   6.457  -2.615   3.246
  136   1HG2  VAL 576          1HG2      VAL 576   5.998  -5.511   4.736
  137   2HG2  VAL 576          2HG2      VAL 576   4.250  -5.260   4.733
  138   3HG2  VAL 576          3HG2      VAL 576   5.200  -4.862   3.303
  139    H    THR 577           H        THR 577   7.181  -1.600   6.683
  140    HA   THR 577           HA       THR 577   5.168   0.237   7.917
  141    HB   THR 577           HB       THR 577   8.192   0.231   8.187
  142    HG1  THR 577           HG1      THR 577   7.840  -0.650  10.118
  143   1HG2  THR 577          1HG2      THR 577   6.350   2.343   8.476
  144   2HG2  THR 577          2HG2      THR 577   6.737   1.818  10.114
  145   3HG2  THR 577          3HG2      THR 577   8.028   2.312   9.020
  146    H    TYR 578           H        TYR 578   4.423   1.109   5.922
  147    HA   TYR 578           HA       TYR 578   6.384   2.229   4.034
  148   1HB   TYR 578          1HB       TYR 578   3.356   2.431   4.029
  149   2HB   TYR 578          2HB       TYR 578   4.433   2.808   2.684
  150    HD1  TYR 578           HD1      TYR 578   6.067   0.890   1.947
  151    HD2  TYR 578           HD2      TYR 578   2.475   0.267   4.218
  152    HE1  TYR 578           HE1      TYR 578   6.047  -1.492   1.260
  153    HE2  TYR 578           HE2      TYR 578   2.452  -2.115   3.527
  154    HH   TYR 578           HH       TYR 578   5.144  -3.594   1.928
  155    H    SER 579           H        SER 579   6.560   4.493   3.575
  156    HA   SER 579           HA       SER 579   5.254   6.317   5.535
  157   1HB   SER 579          1HB       SER 579   8.198   5.952   5.050
  158   2HB   SER 579          2HB       SER 579   7.578   7.527   5.538
  159    HG   SER 579           HG       SER 579   6.753   5.227   6.917
  160    H    VAL 580           H        VAL 580   4.483   8.131   4.562
  161    HA   VAL 580           HA       VAL 580   5.304   8.631   1.737
  162    HB   VAL 580           HB       VAL 580   2.761   9.015   3.282
  163   1HG1  VAL 580          1HG1      VAL 580   3.364  11.271   2.330
  164   2HG1  VAL 580          2HG1      VAL 580   3.387  10.528   0.729
  165   3HG1  VAL 580          3HG1      VAL 580   1.886  10.581   1.658
  166   1HG2  VAL 580          1HG2      VAL 580   3.537   8.009   0.536
  167   2HG2  VAL 580          2HG2      VAL 580   2.947   7.057   1.900
  168   3HG2  VAL 580          3HG2      VAL 580   1.865   8.177   1.071
  169    H    SER 581           H        SER 581   5.648  10.878   1.100
  170    HA   SER 581           HA       SER 581   5.832  12.919   3.197
  171   1HB   SER 581          1HB       SER 581   8.185  11.401   2.278
  172   2HB   SER 581          2HB       SER 581   8.378  13.150   2.197
  173    HG   SER 581           HG       SER 581   8.756  12.951   4.259
  174    H    GLY 582           H        GLY 582   4.189  13.369   1.284
  175   1HA   GLY 582          1HA       GLY 582   5.417  14.378  -1.172
  176   2HA   GLY 582          2HA       GLY 582   4.866  15.652  -0.083
  177    H    SER 583           H        SER 583   3.184  12.591  -0.174
  178    HA   SER 583           HA       SER 583   1.155  13.607  -2.060
  179   1HB   SER 583          1HB       SER 583   1.794  10.999  -0.789
  180   2HB   SER 583          2HB       SER 583   0.095  11.296  -1.148
  181    HG   SER 583           HG       SER 583   0.703  10.663  -3.073
  182    H    SER 584           H        SER 584   0.421  15.417  -0.719
  183    HA   SER 584           HA       SER 584  -0.465  15.392   1.905
  184   1HB   SER 584          1HB       SER 584  -2.476  16.825   0.759
  185   2HB   SER 584          2HB       SER 584  -0.862  17.470   1.043
  186    HG   SER 584           HG       SER 584  -2.123  16.814  -1.298
  187    H    SER 585           H        SER 585  -2.887  15.024  -0.692
  188    HA   SER 585           HA       SER 585  -4.577  13.436   1.096
  189   1HB   SER 585          1HB       SER 585  -5.444  15.082  -0.639
  190   2HB   SER 585          2HB       SER 585  -4.958  13.921  -1.871
  191    HG   SER 585           HG       SER 585  -6.951  13.260  -1.461
  192    H    TRP 586           H        TRP 586  -4.625  11.222   1.170
  193    HA   TRP 586           HA       TRP 586  -2.642   9.715  -0.273
  194   1HB   TRP 586          1HB       TRP 586  -4.753   9.105   1.710
  195   2HB   TRP 586          2HB       TRP 586  -4.261   7.772   0.664
  196    HD1  TRP 586           HD1      TRP 586  -3.029   9.969   3.491
  197    HE1  TRP 586           HE1      TRP 586  -0.724   9.106   4.268
  198    HE3  TRP 586           HE3      TRP 586  -2.043   6.570  -0.190
  199    HZ2  TRP 586           HZ2      TRP 586   1.253   7.243   3.463
  200    HZ3  TRP 586           HZ3      TRP 586   0.062   5.260  -0.159
  201    HH2  TRP 586           HH2      TRP 586   1.713   5.593   1.661
  202    H    VAL 587           H        VAL 587  -2.744   8.706  -2.132
  203    HA   VAL 587           HA       VAL 587  -5.231   7.727  -3.303
  204    HB   VAL 587           HB       VAL 587  -3.691   9.647  -5.032
  205   1HG1  VAL 587          1HG1      VAL 587  -6.002   7.994  -5.251
  206   2HG1  VAL 587          2HG1      VAL 587  -6.545   9.671  -5.328
  207   3HG1  VAL 587          3HG1      VAL 587  -5.332   9.084  -6.465
  208   1HG2  VAL 587          1HG2      VAL 587  -4.272  10.903  -2.962
  209   2HG2  VAL 587          2HG2      VAL 587  -5.188  11.474  -4.356
  210   3HG2  VAL 587          3HG2      VAL 587  -5.958  10.425  -3.166
  211    H    VAL 588           H        VAL 588  -2.614   6.815  -2.349
  212    HA   VAL 588           HA       VAL 588  -0.993   6.143  -4.674
  213    HB   VAL 588           HB       VAL 588  -0.929   5.596  -1.738
  214   1HG1  VAL 588          1HG1      VAL 588   0.596   3.924  -3.774
  215   2HG1  VAL 588          2HG1      VAL 588   0.887   3.923  -2.033
  216   3HG1  VAL 588          3HG1      VAL 588  -0.652   3.336  -2.675
  217   1HG2  VAL 588          1HG2      VAL 588   0.756   6.825  -3.855
  218   2HG2  VAL 588          2HG2      VAL 588   0.452   7.363  -2.204
  219   3HG2  VAL 588          3HG2      VAL 588   1.605   6.065  -2.509
  220    H    THR 589           H        THR 589  -0.489   3.865  -5.170
  221    HA   THR 589           HA       THR 589  -2.941   2.179  -4.984
  222    HB   THR 589           HB       THR 589  -1.391   1.037  -6.964
  223    HG1  THR 589           HG1      THR 589  -0.466   2.618  -8.104
  224   1HG2  THR 589          1HG2      THR 589  -3.511   3.186  -7.243
  225   2HG2  THR 589          2HG2      THR 589  -3.017   2.072  -8.518
  226   3HG2  THR 589          3HG2      THR 589  -3.809   1.457  -7.067
  227    H    LEU 590           H        LEU 590  -2.552  -0.158  -4.679
  228    HA   LEU 590           HA       LEU 590   0.061  -0.672  -3.310
  229   1HB   LEU 590          1HB       LEU 590  -2.752  -1.285  -2.511
  230   2HB   LEU 590          2HB       LEU 590  -1.506  -2.461  -2.094
  231    HG   LEU 590           HG       LEU 590  -0.258  -0.163  -1.363
  232   1HD1  LEU 590          1HD1      LEU 590  -2.749   0.784  -1.939
  233   2HD1  LEU 590          2HD1      LEU 590  -2.934   0.400  -0.228
  234   3HD1  LEU 590          3HD1      LEU 590  -1.673   1.518  -0.749
  235   1HD2  LEU 590          1HD2      LEU 590  -1.201  -2.422  -0.128
  236   2HD2  LEU 590          2HD2      LEU 590  -0.369  -1.111   0.707
  237   3HD2  LEU 590          3HD2      LEU 590  -2.131  -1.166   0.689
  238    H    GLY 591           H        GLY 591   1.180  -2.434  -4.040
  239   1HA   GLY 591          1HA       GLY 591   1.483  -3.836  -6.074
  240   2HA   GLY 591          2HA       GLY 591  -0.237  -4.217  -5.983
  241    H    LEU 592           H        LEU 592  -0.929  -5.461  -4.015
  242    HA   LEU 592           HA       LEU 592   0.862  -6.693  -2.216
  243   1HB   LEU 592          1HB       LEU 592  -1.631  -8.040  -3.249
  244   2HB   LEU 592          2HB       LEU 592  -0.942  -8.089  -1.635
  245    HG   LEU 592           HG       LEU 592  -2.418  -5.816  -2.951
  246   1HD1  LEU 592          1HD1      LEU 592  -2.705  -7.336  -0.345
  247   2HD1  LEU 592          2HD1      LEU 592  -3.668  -5.923  -0.779
  248   3HD1  LEU 592          3HD1      LEU 592  -3.791  -7.401  -1.733
  249   1HD2  LEU 592          1HD2      LEU 592  -0.630  -5.747  -0.498
  250   2HD2  LEU 592          2HD2      LEU 592  -0.422  -4.815  -1.981
  251   3HD2  LEU 592          3HD2      LEU 592  -1.786  -4.480  -0.914
  252    H    ASN 593           H        ASN 593   1.966  -8.684  -2.296
  253    HA   ASN 593           HA       ASN 593   2.253  -9.830  -5.040
  254   1HB   ASN 593          1HB       ASN 593   4.113  -9.775  -2.652
  255   2HB   ASN 593          2HB       ASN 593   4.404 -10.796  -4.061
  256   2HD2  ASN 593          2HD2      ASN 593   5.825  -8.256  -3.001
  257   1HD2  ASN 593          1HD2      ASN 593   5.897  -7.240  -4.358
  258    H    GLY 594           H        GLY 594   1.277 -11.768  -5.338
  259   1HA   GLY 594          1HA       GLY 594   1.345 -13.782  -3.181
  260   2HA   GLY 594          2HA       GLY 594   0.832 -14.065  -4.844
  261    H    GLY 595           H        GLY 595  -0.985 -11.762  -4.892
  262   1HA   GLY 595          1HA       GLY 595  -3.405 -12.950  -4.144
  263   2HA   GLY 595          2HA       GLY 595  -3.190 -11.204  -4.293
  264    H    GLN 596           H        GLN 596  -1.403 -10.707  -2.217
  265    HA   GLN 596           HA       GLN 596  -2.295 -11.965   0.252
  266   1HB   GLN 596          1HB       GLN 596  -0.679  -9.440  -0.222
  267   2HB   GLN 596          2HB       GLN 596  -0.902 -10.222   1.343
  268   1HG   GLN 596          1HG       GLN 596   0.247 -12.205   0.605
  269   2HG   GLN 596          2HG       GLN 596   0.279 -11.630  -1.062
  270   2HE2  GLN 596          2HE2      GLN 596   1.698 -11.133   2.159
  271   1HE2  GLN 596          1HE2      GLN 596   3.009 -10.197   1.624
  272    H    SER 597           H        SER 597  -3.426 -10.799   1.982
  273    HA   SER 597           HA       SER 597  -5.270  -8.707   0.895
  274   1HB   SER 597          1HB       SER 597  -5.979 -10.359   3.292
  275   2HB   SER 597          2HB       SER 597  -7.036  -9.634   2.085
  276    HG   SER 597           HG       SER 597  -6.409 -12.075   2.122
  277    H    VAL 598           H        VAL 598  -6.153  -7.266   2.725
  278    HA   VAL 598           HA       VAL 598  -3.844  -6.434   4.399
  279    HB   VAL 598           HB       VAL 598  -6.452  -5.008   3.789
  280   1HG1  VAL 598          1HG1      VAL 598  -4.181  -4.469   5.601
  281   2HG1  VAL 598          2HG1      VAL 598  -4.642  -3.113   4.571
  282   3HG1  VAL 598          3HG1      VAL 598  -5.831  -3.847   5.647
  283   1HG2  VAL 598          1HG2      VAL 598  -3.676  -4.877   2.604
  284   2HG2  VAL 598          2HG2      VAL 598  -5.213  -5.082   1.765
  285   3HG2  VAL 598          3HG2      VAL 598  -4.797  -3.523   2.477
  286    H    GLN 599           H        GLN 599  -3.833  -7.021   6.509
  287    HA   GLN 599           HA       GLN 599  -6.270  -8.133   7.724
  288   1HB   GLN 599          1HB       GLN 599  -4.016  -9.164   8.085
  289   2HB   GLN 599          2HB       GLN 599  -3.529  -7.707   8.953
  290   1HG   GLN 599          1HG       GLN 599  -5.958  -8.389  10.130
  291   2HG   GLN 599          2HG       GLN 599  -5.166  -9.945   9.870
  292   2HE2  GLN 599          2HE2      GLN 599  -5.389  -7.435  12.085
  293   1HE2  GLN 599          1HE2      GLN 599  -3.914  -7.662  12.894
  294    H    SER 600           H        SER 600  -3.998  -5.465   8.466
  295    HA   SER 600           HA       SER 600  -6.177  -3.748   9.324
  296   1HB   SER 600          1HB       SER 600  -4.565  -5.260  11.335
  297   2HB   SER 600          2HB       SER 600  -4.957  -3.580  11.694
  298    HG   SER 600           HG       SER 600  -6.982  -4.118  11.944
  299    H    SER 601           H        SER 601  -5.392  -1.584   9.822
  300    HA   SER 601           HA       SER 601  -2.490  -1.113   9.484
  301   1HB   SER 601          1HB       SER 601  -2.705   0.309   7.593
  302   2HB   SER 601          2HB       SER 601  -3.672  -1.109   7.197
  303    HG   SER 601           HG       SER 601  -4.429   1.493   7.675
  304    H    TRP 602           H        TRP 602  -1.880   1.063  10.154
  305    HA   TRP 602           HA       TRP 602  -4.034   2.596  11.531
  306   1HB   TRP 602          1HB       TRP 602  -2.721   2.810  13.542
  307   2HB   TRP 602          2HB       TRP 602  -2.806   1.091  13.156
  308    HD1  TRP 602           HD1      TRP 602  -0.409   4.064  13.117
  309    HE1  TRP 602           HE1      TRP 602   1.993   3.190  12.881
  310    HE3  TRP 602           HE3      TRP 602  -1.353  -0.886  12.289
  311    HZ2  TRP 602           HZ2      TRP 602   3.351   0.715  12.403
  312    HZ3  TRP 602           HZ3      TRP 602   0.516  -2.478  11.947
  313    HH2  TRP 602           HH2      TRP 602   2.864  -1.685  12.002
  314    H    ASN 603           H        ASN 603  -3.490   4.857  11.830
  315    HA   ASN 603           HA       ASN 603  -2.363   6.869  11.329
  316   1HB   ASN 603          1HB       ASN 603  -0.296   5.017  11.454
  317   2HB   ASN 603          2HB       ASN 603  -0.120   5.715   9.843
  318   2HD2  ASN 603          2HD2      ASN 603  -1.224   8.349  10.562
  319   1HD2  ASN 603          1HD2      ASN 603  -0.068   9.110  11.546
  320    H    ALA 604           H        ALA 604  -4.214   5.387   9.539
  321    HA   ALA 604           HA       ALA 604  -4.354   7.058   7.339
  322   1HB   ALA 604          1HB       ALA 604  -2.126   5.200   7.092
  323   2HB   ALA 604          2HB       ALA 604  -2.547   6.577   6.074
  324   3HB   ALA 604          3HB       ALA 604  -3.279   5.002   5.772
  325    H    ALA 605           H        ALA 605  -6.075   6.447   5.967
  326    HA   ALA 605           HA       ALA 605  -7.640   4.144   6.924
  327   1HB   ALA 605          1HB       ALA 605  -9.302   5.575   6.403
  328   2HB   ALA 605          2HB       ALA 605  -8.929   5.292   4.702
  329   3HB   ALA 605          3HB       ALA 605  -8.182   6.642   5.556
  330    H    LEU 606           H        LEU 606  -8.642   2.675   5.225
  331    HA   LEU 606           HA       LEU 606  -6.659   2.127   3.053
  332   1HB   LEU 606          1HB       LEU 606  -8.217   0.218   4.810
  333   2HB   LEU 606          2HB       LEU 606  -7.425  -0.293   3.319
  334    HG   LEU 606           HG       LEU 606  -6.110   0.929   5.764
  335   1HD1  LEU 606          1HD1      LEU 606  -5.993  -1.780   4.410
  336   2HD1  LEU 606          2HD1      LEU 606  -4.784  -1.250   5.578
  337   3HD1  LEU 606          3HD1      LEU 606  -6.469  -1.422   6.070
  338   1HD2  LEU 606          1HD2      LEU 606  -5.175   0.586   2.934
  339   2HD2  LEU 606          2HD2      LEU 606  -4.817   1.878   4.080
  340   3HD2  LEU 606          3HD2      LEU 606  -4.017   0.313   4.236
  341    H    THR 607           H        THR 607  -7.566   1.266   1.070
  342    HA   THR 607           HA       THR 607 -10.525   1.581   0.820
  343    HB   THR 607           HB       THR 607  -8.467   2.637  -1.145
  344    HG1  THR 607           HG1      THR 607  -9.261   4.653  -0.445
  345   1HG2  THR 607          1HG2      THR 607 -10.934   1.751  -1.764
  346   2HG2  THR 607          2HG2      THR 607 -11.343   3.387  -1.246
  347   3HG2  THR 607          3HG2      THR 607 -10.196   3.139  -2.563
  348    H    GLY 608           H        GLY 608 -10.244  -0.849   0.999
  349   1HA   GLY 608          1HA       GLY 608  -9.236  -2.060  -1.532
  350   2HA   GLY 608          2HA       GLY 608 -10.876  -2.420  -0.991
  351    H    SER 609           H        SER 609  -8.883  -4.423  -1.308
  352    HA   SER 609           HA       SER 609  -7.514  -5.079   1.112
  353   1HB   SER 609          1HB       SER 609  -9.088  -6.905   1.882
  354   2HB   SER 609          2HB       SER 609  -9.677  -5.269   2.157
  355    HG   SER 609           HG       SER 609 -10.509  -7.208   0.323
  356    H    SER 610           H        SER 610  -7.173  -5.263  -1.770
  357    HA   SER 610           HA       SER 610  -5.807  -7.662  -2.067
  358   1HB   SER 610          1HB       SER 610  -8.710  -8.029  -2.252
  359   2HB   SER 610          2HB       SER 610  -7.848  -8.628  -3.666
  360    HG   SER 610           HG       SER 610  -7.430 -10.275  -2.428
  361    H    GLY 611           H        GLY 611  -4.872  -7.794  -4.140
  362   1HA   GLY 611          1HA       GLY 611  -5.991  -6.504  -6.464
  363   2HA   GLY 611          2HA       GLY 611  -4.336  -7.095  -6.319
  364    H    THR 612           H        THR 612  -5.620  -4.450  -7.278
  365    HA   THR 612           HA       THR 612  -3.530  -2.734  -6.159
  366    HB   THR 612           HB       THR 612  -5.791  -1.787  -7.915
  367    HG1  THR 612           HG1      THR 612  -3.557  -3.382  -8.571
  368   1HG2  THR 612          1HG2      THR 612  -3.779  -0.406  -6.839
  369   2HG2  THR 612          2HG2      THR 612  -2.915  -1.053  -8.235
  370   3HG2  THR 612          3HG2      THR 612  -4.359  -0.067  -8.470
  371    H    VAL 613           H        VAL 613  -3.895  -2.020  -4.091
  372    HA   VAL 613           HA       VAL 613  -6.644  -1.141  -3.375
  373    HB   VAL 613           HB       VAL 613  -4.289  -2.210  -1.876
  374   1HG1  VAL 613          1HG1      VAL 613  -4.653   0.021  -0.867
  375   2HG1  VAL 613          2HG1      VAL 613  -6.349  -0.387  -0.605
  376   3HG1  VAL 613          3HG1      VAL 613  -5.084  -1.281   0.241
  377   1HG2  VAL 613          1HG2      VAL 613  -6.553  -3.356  -2.545
  378   2HG2  VAL 613          2HG2      VAL 613  -5.889  -3.632  -0.935
  379   3HG2  VAL 613          3HG2      VAL 613  -7.199  -2.471  -1.162
  380    H    THR 614           H        THR 614  -6.847   0.947  -2.245
  381    HA   THR 614           HA       THR 614  -4.625   2.825  -2.937
  382    HB   THR 614           HB       THR 614  -7.466   3.764  -2.729
  383    HG1  THR 614           HG1      THR 614  -6.503   3.017  -5.221
  384   1HG2  THR 614          1HG2      THR 614  -5.455   5.290  -2.986
  385   2HG2  THR 614          2HG2      THR 614  -5.215   4.580  -4.582
  386   3HG2  THR 614          3HG2      THR 614  -6.693   5.476  -4.228
  387    H    ALA 615           H        ALA 615  -3.976   4.235  -1.321
  388    HA   ALA 615           HA       ALA 615  -5.083   3.702   1.372
  389   1HB   ALA 615          1HB       ALA 615  -2.556   4.706   0.287
  390   2HB   ALA 615          2HB       ALA 615  -3.129   5.657   1.659
  391   3HB   ALA 615          3HB       ALA 615  -2.878   3.919   1.832
  392    H    ARG 616           H        ARG 616  -5.677   5.527   2.793
  393    HA   ARG 616           HA       ARG 616  -6.584   7.942   1.289
  394   1HB   ARG 616          1HB       ARG 616  -8.191   6.431   3.374
  395   2HB   ARG 616          2HB       ARG 616  -8.692   7.913   2.558
  396   1HG   ARG 616          1HG       ARG 616  -8.483   6.695   0.367
  397   2HG   ARG 616          2HG       ARG 616  -8.191   5.213   1.278
  398   1HD   ARG 616          1HD       ARG 616 -10.389   4.953   1.701
  399   2HD   ARG 616          2HD       ARG 616 -10.526   6.610   2.291
  400    HE   ARG 616           HE       ARG 616 -10.443   6.256  -0.644
  401   1HH1  ARG 616          1HH1      ARG 616 -11.511   8.559   1.198
  402   2HH1  ARG 616          2HH1      ARG 616 -13.206   8.431   0.865
  403   1HH2  ARG 616          1HH2      ARG 616 -12.946   5.313  -0.630
  404   2HH2  ARG 616          2HH2      ARG 616 -14.018   6.593  -0.170
  405    HA   PRO 617           HA       PRO 617  -4.784  10.112   4.656
  406   1HB   PRO 617          1HB       PRO 617  -6.174  12.473   4.419
  407   2HB   PRO 617          2HB       PRO 617  -4.873  11.987   3.317
  408   1HG   PRO 617          1HG       PRO 617  -7.820  12.005   2.851
  409   2HG   PRO 617          2HG       PRO 617  -6.498  12.150   1.681
  410   1HD   PRO 617          1HD       PRO 617  -8.018   9.816   2.180
  411   2HD   PRO 617          2HD       PRO 617  -6.493   9.894   1.273
  412    H    ASN 618           H        ASN 618  -5.214   9.955   6.828
  413    HA   ASN 618           HA       ASN 618  -8.074  10.134   7.696
  414   1HB   ASN 618          1HB       ASN 618  -7.572   8.559   9.456
  415   2HB   ASN 618          2HB       ASN 618  -6.965   7.873   7.948
  416   2HD2  ASN 618          2HD2      ASN 618  -6.056   7.902  11.015
  417   1HD2  ASN 618          1HD2      ASN 618  -4.379   8.124  10.877
  418    H    GLY 619           H        GLY 619  -5.600  12.079   7.523
  419   1HA   GLY 619          1HA       GLY 619  -6.341  13.736   9.715
  420   2HA   GLY 619          2HA       GLY 619  -4.857  13.916   8.778
  421    H    SER 620           H        SER 620  -3.106  12.256   9.362
  422    HA   SER 620           HA       SER 620  -2.827  12.234  12.290
  423   1HB   SER 620          1HB       SER 620  -2.845   9.670  10.671
  424   2HB   SER 620          2HB       SER 620  -2.307   9.791  12.343
  425    HG   SER 620           HG       SER 620  -4.420  10.615  12.827
  426    H    GLY 621           H        GLY 621  -1.477  11.258   9.144
  427   1HA   GLY 621          1HA       GLY 621   1.256  11.177  10.120
  428   2HA   GLY 621          2HA       GLY 621   0.897  12.694   9.294
  429    H    ASN 622           H        ASN 622   2.803  11.025   8.200
  430    HA   ASN 622           HA       ASN 622   1.392  10.035   5.761
  431   1HB   ASN 622          1HB       ASN 622   4.309  10.806   6.078
  432   2HB   ASN 622          2HB       ASN 622   3.477  10.430   4.569
  433   2HD2  ASN 622          2HD2      ASN 622   1.506  11.924   4.099
  434   1HD2  ASN 622          1HD2      ASN 622   1.664  13.558   4.532
  435    H    SER 623           H        SER 623   3.391   9.095   8.428
  436    HA   SER 623           HA       SER 623   4.319   6.613   7.176
  437   1HB   SER 623          1HB       SER 623   5.295   6.125   9.350
  438   2HB   SER 623          2HB       SER 623   5.623   7.809   8.951
  439    HG   SER 623           HG       SER 623   4.805   7.428  11.115
  440    H    PHE 624           H        PHE 624   3.047   4.839   6.993
  441    HA   PHE 624           HA       PHE 624   1.013   4.331   9.110
  442   1HB   PHE 624          1HB       PHE 624  -0.623   3.673   7.361
  443   2HB   PHE 624          2HB       PHE 624  -0.186   5.377   7.242
  444    HD1  PHE 624           HD1      PHE 624   2.006   5.814   5.739
  445    HD2  PHE 624           HD2      PHE 624  -0.621   2.434   5.391
  446    HE1  PHE 624           HE1      PHE 624   2.775   5.456   3.408
  447    HE2  PHE 624           HE2      PHE 624   0.147   2.077   3.060
  448    HZ   PHE 624           HZ       PHE 624   1.846   3.588   2.070
  449    H    GLY 625           H        GLY 625   0.733   2.140   9.572
  450   1HA   GLY 625          1HA       GLY 625   2.028   0.070   9.820
  451   2HA   GLY 625          2HA       GLY 625   2.629   0.305   8.177
  452    H    VAL 626           H        VAL 626   1.846  -1.567   7.204
  453    HA   VAL 626           HA       VAL 626  -1.075  -2.116   7.473
  454    HB   VAL 626           HB       VAL 626   0.520  -1.867   4.911
  455   1HG1  VAL 626          1HG1      VAL 626  -2.120  -3.195   5.504
  456   2HG1  VAL 626          2HG1      VAL 626  -1.805  -2.490   3.919
  457   3HG1  VAL 626          3HG1      VAL 626  -0.781  -3.792   4.523
  458   1HG2  VAL 626          1HG2      VAL 626  -1.228  -0.133   6.383
  459   2HG2  VAL 626          2HG2      VAL 626  -0.429   0.175   4.842
  460   3HG2  VAL 626          3HG2      VAL 626  -2.024  -0.577   4.874
  461    H    THR 627           H        THR 627  -1.515  -4.265   7.732
  462    HA   THR 627           HA       THR 627   0.779  -6.144   7.621
  463    HB   THR 627           HB       THR 627  -2.011  -6.410   8.780
  464    HG1  THR 627           HG1      THR 627  -1.071  -5.612  10.456
  465   1HG2  THR 627          1HG2      THR 627  -0.131  -8.426   7.975
  466   2HG2  THR 627          2HG2      THR 627  -0.253  -8.422   9.734
  467   3HG2  THR 627          3HG2      THR 627  -1.702  -8.634   8.750
  468    H    PHE 628           H        PHE 628   0.737  -8.005   6.300
  469    HA   PHE 628           HA       PHE 628  -1.536  -8.144   4.359
  470   1HB   PHE 628          1HB       PHE 628   1.400  -8.602   3.748
  471   2HB   PHE 628          2HB       PHE 628   0.071  -8.746   2.599
  472    HD1  PHE 628           HD1      PHE 628  -1.271  -6.724   1.980
  473    HD2  PHE 628           HD2      PHE 628   2.290  -6.465   4.366
  474    HE1  PHE 628           HE1      PHE 628  -1.138  -4.291   1.516
  475    HE2  PHE 628           HE2      PHE 628   2.423  -4.032   3.904
  476    HZ   PHE 628           HZ       PHE 628   0.710  -2.946   2.478
  477    H    TYR 629           H        TYR 629  -2.203 -10.238   3.795
  478    HA   TYR 629           HA       TYR 629  -1.160 -12.385   5.566
  479   1HB   TYR 629          1HB       TYR 629  -3.721 -11.897   4.098
  480   2HB   TYR 629          2HB       TYR 629  -3.251 -13.567   4.413
  481    HD1  TYR 629           HD1      TYR 629  -2.318 -13.969   6.902
  482    HD2  TYR 629           HD2      TYR 629  -4.986 -10.815   5.724
  483    HE1  TYR 629           HE1      TYR 629  -3.089 -13.746   9.248
  484    HE2  TYR 629           HE2      TYR 629  -5.758 -10.593   8.071
  485    HH   TYR 629           HH       TYR 629  -5.433 -12.804  10.328
  486    H    LYS 630           H        LYS 630  -0.086 -14.153   4.740
  487    HA   LYS 630           HA       LYS 630  -0.067 -14.534   1.788
  488   1HB   LYS 630          1HB       LYS 630   2.425 -14.895   1.916
  489   2HB   LYS 630          2HB       LYS 630   1.927 -13.228   2.208
  490   1HG   LYS 630          1HG       LYS 630   2.021 -13.652   4.656
  491   2HG   LYS 630          2HG       LYS 630   2.592 -15.289   4.331
  492   1HD   LYS 630          1HD       LYS 630   4.566 -14.388   3.174
  493   2HD   LYS 630          2HD       LYS 630   3.992 -12.745   3.458
  494   1HE   LYS 630          1HE       LYS 630   4.461 -12.825   5.726
  495   2HE   LYS 630          2HE       LYS 630   4.280 -14.577   5.808
  496   1HZ   LYS 630          1HZ       LYS 630   6.350 -14.300   4.120
  497   2HZ   LYS 630          2HZ       LYS 630   6.607 -12.993   5.176
  498   3HZ   LYS 630          3HZ       LYS 630   6.501 -14.570   5.790
  499    H    ASN 631           H        ASN 631   0.818 -15.819   4.984
  500    HA   ASN 631           HA       ASN 631   0.581 -18.015   5.801
  501   1HB   ASN 631          1HB       ASN 631  -0.442 -18.843   3.085
  502   2HB   ASN 631          2HB       ASN 631  -0.810 -19.549   4.659
  503   2HD2  ASN 631          2HD2      ASN 631  -2.564 -18.171   2.483
  504   1HD2  ASN 631          1HD2      ASN 631  -3.471 -17.042   3.368
  505    H    GLY 632           H        GLY 632   2.590 -16.962   3.427
  506   1HA   GLY 632          1HA       GLY 632   3.815 -19.580   2.811
  507   2HA   GLY 632          2HA       GLY 632   4.776 -18.481   3.799
  508    H    SER 633           H        SER 633   5.216 -16.307   2.835
  509    HA   SER 633           HA       SER 633   5.586 -16.570  -0.108
  510   1HB   SER 633          1HB       SER 633   4.415 -14.169   1.324
  511   2HB   SER 633          2HB       SER 633   4.952 -14.155  -0.354
  512    HG   SER 633           HG       SER 633   3.389 -15.644  -0.850
  513    H    SER 634           H        SER 634   7.460 -15.493  -0.882
  514    HA   SER 634           HA       SER 634   9.289 -14.539   1.281
  515   1HB   SER 634          1HB       SER 634   9.732 -16.591  -0.443
  516   2HB   SER 634          2HB       SER 634  10.410 -15.255  -1.369
  517    HG   SER 634           HG       SER 634  11.404 -14.747   0.837
  518    H    ALA 635           H        ALA 635   7.427 -13.481  -1.309
  519    HA   ALA 635           HA       ALA 635   9.276 -11.334  -2.132
  520   1HB   ALA 635          1HB       ALA 635   6.373 -11.616  -2.922
  521   2HB   ALA 635          2HB       ALA 635   7.664 -10.793  -3.796
  522   3HB   ALA 635          3HB       ALA 635   7.647 -12.554  -3.701
  523    H    THR 636           H        THR 636   9.174  -9.257  -1.357
  524    HA   THR 636           HA       THR 636   7.291  -8.740   0.856
  525    HB   THR 636           HB       THR 636   9.639  -7.173  -0.243
  526    HG1  THR 636           HG1      THR 636   9.192  -8.979   1.820
  527   1HG2  THR 636          1HG2      THR 636   7.764  -5.753   0.713
  528   2HG2  THR 636          2HG2      THR 636   8.035  -6.573   2.250
  529   3HG2  THR 636          3HG2      THR 636   9.317  -5.597   1.534
  530    HA   PRO 637           HA       PRO 637   4.647  -6.365  -1.788
  531   1HB   PRO 637          1HB       PRO 637   3.114  -5.254   0.206
  532   2HB   PRO 637          2HB       PRO 637   2.939  -6.932  -0.341
  533   1HG   PRO 637          1HG       PRO 637   4.151  -5.899   2.173
  534   2HG   PRO 637          2HG       PRO 637   3.437  -7.485   1.842
  535   1HD   PRO 637          1HD       PRO 637   6.213  -6.875   1.939
  536   2HD   PRO 637          2HD       PRO 637   5.485  -8.391   1.361
  537    H    GLY 638           H        GLY 638   3.920  -3.965  -1.941
  538   1HA   GLY 638          1HA       GLY 638   6.046  -2.209  -2.075
  539   2HA   GLY 638          2HA       GLY 638   5.467  -2.019  -0.423
  540    H    ALA 639           H        ALA 639   4.894   0.187  -0.993
  541    HA   ALA 639           HA       ALA 639   2.153   0.401  -2.002
  542   1HB   ALA 639          1HB       ALA 639   3.580   1.799  -0.130
  543   2HB   ALA 639          2HB       ALA 639   2.108   2.393  -0.899
  544   3HB   ALA 639          3HB       ALA 639   3.686   2.879  -1.521
  545    H    THR 640           H        THR 640   1.864   2.479  -3.502
  546    HA   THR 640           HA       THR 640   3.902   2.301  -5.679
  547    HB   THR 640           HB       THR 640   1.075   2.762  -6.386
  548    HG1  THR 640           HG1      THR 640   2.159   0.204  -5.815
  549   1HG2  THR 640          1HG2      THR 640   3.513   1.509  -7.605
  550   2HG2  THR 640          2HG2      THR 640   1.917   1.155  -8.264
  551   3HG2  THR 640          3HG2      THR 640   2.508   2.815  -8.231
  552    H    CYS 641           H        CYS 641   4.383   4.144  -6.694
  553    HA   CYS 641           HA       CYS 641   2.784   6.570  -6.544
  554   1HB   CYS 641          1HB       CYS 641   5.123   6.163  -4.753
  555   2HB   CYS 641          2HB       CYS 641   5.027   7.725  -5.559
  556    H    ALA 642           H        ALA 642   3.154   5.771  -8.872
  557    HA   ALA 642           HA       ALA 642   5.553   7.183  -9.942
  558   1HB   ALA 642          1HB       ALA 642   4.868   4.895 -11.580
  559   2HB   ALA 642          2HB       ALA 642   6.421   5.312 -10.852
  560   3HB   ALA 642          3HB       ALA 642   5.238   4.382  -9.932
  561    H    THR 643           H        THR 643   5.265   7.545 -12.377
  562    HA   THR 643           HA       THR 643   2.371   8.032 -12.950
  563    HB   THR 643           HB       THR 643   3.024   9.958 -14.251
  564    HG1  THR 643           HG1      THR 643   5.534   8.813 -13.916
  565   1HG2  THR 643          1HG2      THR 643   4.291   9.767 -11.519
  566   2HG2  THR 643          2HG2      THR 643   4.286  11.272 -12.438
  567   3HG2  THR 643          3HG2      THR 643   2.762  10.525 -11.961
  568    H    GLY 644           H        GLY 644   1.799   6.375 -14.269
  569   1HA   GLY 644          1HA       GLY 644   1.798   4.937 -16.126
  570   2HA   GLY 644          2HA       GLY 644   3.560   5.024 -16.080

  No H/Q in entry =         570
  Start of MODEL    3
    1    H1   THR 557           H1       THR 557  11.179  13.576 -15.561
    2    H2   THR 557           H2       THR 557  11.431  15.093 -14.844
    3    H3   THR 557           H3       THR 557  12.748  14.222 -15.470
    4    HA   THR 557           HA       THR 557  12.536  12.545 -13.798
    5    HB   THR 557           HB       THR 557  12.301  14.652 -11.878
    6    HG1  THR 557           HG1      THR 557  13.725  16.136 -12.884
    7   1HG2  THR 557          1HG2      THR 557  13.889  12.697 -11.938
    8   2HG2  THR 557          2HG2      THR 557  14.783  13.538 -13.206
    9   3HG2  THR 557          3HG2      THR 557  14.662  14.243 -11.595
   10    H    GLY 558           H        GLY 558  11.476  13.058 -11.206
   11   1HA   GLY 558          1HA       GLY 558   8.581  12.577 -11.759
   12   2HA   GLY 558          2HA       GLY 558   9.062  13.682 -10.470
   13    H    SER 559           H        SER 559   9.181  12.764  -8.482
   14    HA   SER 559           HA       SER 559   9.192   9.813  -8.279
   15   1HB   SER 559          1HB       SER 559  11.288  11.590  -7.002
   16   2HB   SER 559          2HB       SER 559  11.017   9.909  -6.551
   17    HG   SER 559           HG       SER 559  12.141  11.006  -8.844
   18    H    CYS 560           H        CYS 560   8.621   9.113  -6.053
   19    HA   CYS 560           HA       CYS 560   7.076  11.241  -4.624
   20   1HB   CYS 560          1HB       CYS 560   5.487   9.552  -3.974
   21   2HB   CYS 560          2HB       CYS 560   5.748   9.369  -5.708
   22    H    SER 561           H        SER 561   6.929  10.906  -2.235
   23    HA   SER 561           HA       SER 561   9.494   9.817  -1.215
   24   1HB   SER 561          1HB       SER 561   7.557  11.873  -0.293
   25   2HB   SER 561          2HB       SER 561   8.461  11.000   0.936
   26    HG   SER 561           HG       SER 561   9.510  12.459  -1.265
   27    H    VAL 562           H        VAL 562   7.331   8.226  -2.019
   28    HA   VAL 562           HA       VAL 562   6.224   7.093   0.490
   29    HB   VAL 562           HB       VAL 562   5.672   6.000  -2.258
   30   1HG1  VAL 562          1HG1      VAL 562   4.730   5.547   0.385
   31   2HG1  VAL 562          2HG1      VAL 562   3.409   6.286  -0.520
   32   3HG1  VAL 562          3HG1      VAL 562   4.160   4.804  -1.108
   33   1HG2  VAL 562          1HG2      VAL 562   5.192   8.711  -1.417
   34   2HG2  VAL 562          2HG2      VAL 562   4.753   7.942  -2.943
   35   3HG2  VAL 562          3HG2      VAL 562   3.649   7.871  -1.570
   36    H    SER 563           H        SER 563   7.387   5.505   1.462
   37    HA   SER 563           HA       SER 563   9.023   3.714  -0.291
   38   1HB   SER 563          1HB       SER 563   9.854   3.999   2.530
   39   2HB   SER 563          2HB       SER 563  10.836   3.940   1.069
   40    HG   SER 563           HG       SER 563  10.746   6.048   0.930
   41    H    ALA 564           H        ALA 564   9.442   1.546   0.805
   42    HA   ALA 564           HA       ALA 564   7.161   0.765   2.567
   43   1HB   ALA 564          1HB       ALA 564   6.707   0.103   0.200
   44   2HB   ALA 564          2HB       ALA 564   8.191  -0.849   0.214
   45   3HB   ALA 564          3HB       ALA 564   6.855  -1.285   1.279
   46    H    VAL 565           H        VAL 565   8.545   0.650   4.384
   47    HA   VAL 565           HA       VAL 565  11.037  -0.877   4.273
   48    HB   VAL 565           HB       VAL 565   9.637  -0.202   6.838
   49   1HG1  VAL 565          1HG1      VAL 565  12.509  -0.152   5.857
   50   2HG1  VAL 565          2HG1      VAL 565  12.005   0.341   7.473
   51   3HG1  VAL 565          3HG1      VAL 565  11.790  -1.330   6.955
   52   1HG2  VAL 565          1HG2      VAL 565  10.680   1.707   4.772
   53   2HG2  VAL 565          2HG2      VAL 565   9.297   1.881   5.853
   54   3HG2  VAL 565          3HG2      VAL 565  10.936   2.086   6.476
   55    H    ARG 566           H        ARG 566  11.363  -2.806   5.688
   56    HA   ARG 566           HA       ARG 566   9.110  -4.676   5.409
   57   1HB   ARG 566          1HB       ARG 566  11.935  -5.005   6.469
   58   2HB   ARG 566          2HB       ARG 566  10.764  -6.321   6.376
   59   1HG   ARG 566          1HG       ARG 566  10.629  -5.210   3.849
   60   2HG   ARG 566          2HG       ARG 566  12.344  -5.079   4.240
   61   1HD   ARG 566          1HD       ARG 566  12.656  -7.323   4.134
   62   2HD   ARG 566          2HD       ARG 566  11.158  -7.660   5.001
   63    HE   ARG 566           HE       ARG 566  10.147  -8.020   2.911
   64   1HH1  ARG 566          1HH1      ARG 566  10.526  -5.202   1.960
   65   2HH1  ARG 566          2HH1      ARG 566  11.482  -5.427   0.533
   66   1HH2  ARG 566          1HH2      ARG 566  12.414  -8.665   1.348
   67   2HH2  ARG 566          2HH2      ARG 566  12.550  -7.389   0.186
   68    H    GLY 567           H        GLY 567   8.055  -3.001   6.982
   69   1HA   GLY 567          1HA       GLY 567   6.857  -2.967   9.001
   70   2HA   GLY 567          2HA       GLY 567   8.466  -2.603   9.627
   71    H    GLU 568           H        GLU 568   7.848  -3.758  11.592
   72    HA   GLU 568           HA       GLU 568   8.907  -6.253  11.987
   73   1HB   GLU 568          1HB       GLU 568   6.602  -4.852  13.297
   74   2HB   GLU 568          2HB       GLU 568   6.979  -6.509  13.769
   75   1HG   GLU 568          1HG       GLU 568   9.340  -5.808  14.191
   76   2HG   GLU 568          2HG       GLU 568   8.876  -4.144  13.835
   77    H    GLU 569           H        GLU 569   7.921  -8.411  12.250
   78    HA   GLU 569           HA       GLU 569   5.427  -8.885  10.727
   79   1HB   GLU 569          1HB       GLU 569   7.782 -10.610  10.047
   80   2HB   GLU 569          2HB       GLU 569   6.362 -10.225   9.075
   81   1HG   GLU 569          1HG       GLU 569   8.055  -8.971   8.037
   82   2HG   GLU 569          2HG       GLU 569   7.293  -7.790   9.103
   83    H    TRP 570           H        TRP 570   5.623 -11.686  10.629
   84    HA   TRP 570           HA       TRP 570   6.201 -12.511  13.426
   85   1HB   TRP 570          1HB       TRP 570   3.530 -12.711  12.023
   86   2HB   TRP 570          2HB       TRP 570   3.950 -13.746  13.388
   87    HD1  TRP 570           HD1      TRP 570   4.398 -12.549  15.751
   88    HE1  TRP 570           HE1      TRP 570   3.549 -10.306  16.698
   89    HE3  TRP 570           HE3      TRP 570   2.862 -10.293  11.433
   90    HZ2  TRP 570           HZ2      TRP 570   2.374  -7.877  15.749
   91    HZ3  TRP 570           HZ3      TRP 570   1.882  -8.017  11.484
   92    HH2  TRP 570           HH2      TRP 570   1.637  -6.807  13.635
   93    H    ALA 571           H        ALA 571   4.226 -14.480  11.331
   94    HA   ALA 571           HA       ALA 571   6.616 -16.018  10.452
   95   1HB   ALA 571          1HB       ALA 571   4.902 -18.044  11.038
   96   2HB   ALA 571          2HB       ALA 571   4.482 -16.900  12.312
   97   3HB   ALA 571          3HB       ALA 571   6.143 -17.471  12.154
   98    H    ASP 572           H        ASP 572   3.091 -16.611  10.353
   99    HA   ASP 572           HA       ASP 572   3.257 -17.205   7.493
  100   1HB   ASP 572          1HB       ASP 572   0.867 -17.671   7.665
  101   2HB   ASP 572          2HB       ASP 572   1.695 -18.411   9.036
  102    H    ARG 573           H        ARG 573   2.066 -14.579   9.541
  103    HA   ARG 573           HA       ARG 573   1.484 -13.008   7.074
  104   1HB   ARG 573          1HB       ARG 573  -0.043 -11.692   8.352
  105   2HB   ARG 573          2HB       ARG 573  -0.374 -13.371   8.783
  106   1HG   ARG 573          1HG       ARG 573   0.994 -13.164  10.783
  107   2HG   ARG 573          2HG       ARG 573   1.443 -11.521  10.334
  108   1HD   ARG 573          1HD       ARG 573  -0.799 -10.727  10.636
  109   2HD   ARG 573          2HD       ARG 573  -1.431 -12.369  10.759
  110    HE   ARG 573           HE       ARG 573   0.518 -11.896  12.825
  111   1HH1  ARG 573          1HH1      ARG 573  -2.405 -13.066  12.799
  112   2HH1  ARG 573          2HH1      ARG 573  -3.137 -12.017  13.967
  113   1HH2  ARG 573          1HH2      ARG 573  -0.546  -9.714  13.916
  114   2HH2  ARG 573          2HH2      ARG 573  -2.085 -10.119  14.599
  115    H    PHE 574           H        PHE 574   2.355 -10.866   6.934
  116    HA   PHE 574           HA       PHE 574   4.451 -10.242   8.970
  117   1HB   PHE 574          1HB       PHE 574   5.990  -9.581   7.241
  118   2HB   PHE 574          2HB       PHE 574   5.400 -11.188   6.816
  119    HD1  PHE 574           HD1      PHE 574   3.240 -11.249   5.306
  120    HD2  PHE 574           HD2      PHE 574   5.874  -7.872   5.651
  121    HE1  PHE 574           HE1      PHE 574   2.397 -10.370   3.147
  122    HE2  PHE 574           HE2      PHE 574   5.031  -6.995   3.491
  123    HZ   PHE 574           HZ       PHE 574   3.292  -8.243   2.238
  124    H    ASN 575           H        ASN 575   4.888  -7.960   9.210
  125    HA   ASN 575           HA       ASN 575   2.605  -6.262   8.300
  126   1HB   ASN 575          1HB       ASN 575   3.351  -6.666  10.838
  127   2HB   ASN 575          2HB       ASN 575   4.474  -5.363  10.447
  128   2HD2  ASN 575          2HD2      ASN 575   2.843  -4.393  12.233
  129   1HD2  ASN 575          1HD2      ASN 575   1.525  -3.538  11.591
  130    H    VAL 576           H        VAL 576   3.327  -3.857   8.093
  131    HA   VAL 576           HA       VAL 576   6.099  -3.553   7.119
  132    HB   VAL 576           HB       VAL 576   3.879  -2.696   5.287
  133   1HG1  VAL 576          1HG1      VAL 576   6.254  -1.903   5.021
  134   2HG1  VAL 576          2HG1      VAL 576   6.720  -3.580   4.741
  135   3HG1  VAL 576          3HG1      VAL 576   5.623  -2.771   3.622
  136   1HG2  VAL 576          1HG2      VAL 576   3.646  -5.163   5.791
  137   2HG2  VAL 576          2HG2      VAL 576   4.001  -4.802   4.101
  138   3HG2  VAL 576          3HG2      VAL 576   5.282  -5.380   5.166
  139    H    THR 577           H        THR 577   6.646  -1.292   6.788
  140    HA   THR 577           HA       THR 577   4.715   0.613   8.040
  141    HB   THR 577           HB       THR 577   7.718   0.618   8.465
  142    HG1  THR 577           HG1      THR 577   7.375  -0.550  10.183
  143   1HG2  THR 577          1HG2      THR 577   5.786   2.624   8.769
  144   2HG2  THR 577          2HG2      THR 577   6.060   2.009  10.400
  145   3HG2  THR 577          3HG2      THR 577   7.413   2.620   9.449
  146    H    TYR 578           H        TYR 578   4.122   1.533   6.042
  147    HA   TYR 578           HA       TYR 578   6.157   2.370   4.119
  148   1HB   TYR 578          1HB       TYR 578   3.193   3.000   4.266
  149   2HB   TYR 578          2HB       TYR 578   4.241   3.338   2.889
  150    HD1  TYR 578           HD1      TYR 578   5.195   1.500   1.545
  151    HD2  TYR 578           HD2      TYR 578   2.473   0.740   4.780
  152    HE1  TYR 578           HE1      TYR 578   4.846  -0.810   0.710
  153    HE2  TYR 578           HE2      TYR 578   2.125  -1.569   3.945
  154    HH   TYR 578           HH       TYR 578   4.133  -3.016   1.656
  155    H    SER 579           H        SER 579   7.014   4.422   3.898
  156    HA   SER 579           HA       SER 579   6.049   6.482   5.844
  157   1HB   SER 579          1HB       SER 579   8.865   6.339   4.766
  158   2HB   SER 579          2HB       SER 579   8.278   7.212   6.179
  159    HG   SER 579           HG       SER 579   9.295   5.312   6.828
  160    H    VAL 580           H        VAL 580   5.169   8.206   4.840
  161    HA   VAL 580           HA       VAL 580   5.979   8.775   2.025
  162    HB   VAL 580           HB       VAL 580   3.421   9.090   3.560
  163   1HG1  VAL 580          1HG1      VAL 580   3.994  11.362   2.634
  164   2HG1  VAL 580          2HG1      VAL 580   4.033  10.637   1.027
  165   3HG1  VAL 580          3HG1      VAL 580   2.529  10.658   1.949
  166   1HG2  VAL 580          1HG2      VAL 580   4.309   8.023   0.884
  167   2HG2  VAL 580          2HG2      VAL 580   3.521   7.162   2.206
  168   3HG2  VAL 580          3HG2      VAL 580   2.606   8.317   1.237
  169    H    SER 581           H        SER 581   6.682  10.860   1.493
  170    HA   SER 581           HA       SER 581   6.537  13.020   3.475
  171   1HB   SER 581          1HB       SER 581   9.324  12.563   2.626
  172   2HB   SER 581          2HB       SER 581   8.692  13.033   4.200
  173    HG   SER 581           HG       SER 581   8.783  10.445   3.042
  174    H    GLY 582           H        GLY 582   5.352  13.163   1.106
  175   1HA   GLY 582          1HA       GLY 582   7.089  14.127  -1.021
  176   2HA   GLY 582          2HA       GLY 582   6.268  15.438  -0.171
  177    H    SER 583           H        SER 583   4.807  12.272  -0.545
  178    HA   SER 583           HA       SER 583   3.391  12.650  -2.963
  179   1HB   SER 583          1HB       SER 583   2.250  11.244  -0.543
  180   2HB   SER 583          2HB       SER 583   1.951  10.889  -2.243
  181    HG   SER 583           HG       SER 583   4.231  10.385  -2.373
  182    H    SER 584           H        SER 584   2.420  13.481   0.374
  183    HA   SER 584           HA       SER 584   0.977  15.198   1.100
  184   1HB   SER 584          1HB       SER 584   1.756  16.024  -1.516
  185   2HB   SER 584          2HB       SER 584   0.016  16.263  -1.381
  186    HG   SER 584           HG       SER 584   0.994  18.068  -0.552
  187    H    SER 585           H        SER 585  -0.565  14.622  -2.047
  188    HA   SER 585           HA       SER 585  -3.056  13.891  -0.702
  189   1HB   SER 585          1HB       SER 585  -2.392  14.971  -3.190
  190   2HB   SER 585          2HB       SER 585  -2.972  13.351  -3.565
  191    HG   SER 585           HG       SER 585  -4.798  13.877  -2.182
  192    H    TRP 586           H        TRP 586  -3.370  11.848   0.040
  193    HA   TRP 586           HA       TRP 586  -1.701   9.641  -0.772
  194   1HB   TRP 586          1HB       TRP 586  -4.043  10.004   1.019
  195   2HB   TRP 586          2HB       TRP 586  -3.757   8.376   0.403
  196    HD1  TRP 586           HD1      TRP 586  -2.680  10.651   3.086
  197    HE1  TRP 586           HE1      TRP 586  -0.559   9.733   4.236
  198    HE3  TRP 586           HE3      TRP 586  -1.311   7.061  -0.266
  199    HZ2  TRP 586           HZ2      TRP 586   1.429   7.762   3.814
  200    HZ3  TRP 586           HZ3      TRP 586   0.703   5.669   0.135
  201    HH2  TRP 586           HH2      TRP 586   2.075   6.013   2.169
  202    H    VAL 587           H        VAL 587  -1.875   8.509  -2.585
  203    HA   VAL 587           HA       VAL 587  -4.458   7.637  -3.607
  204    HB   VAL 587           HB       VAL 587  -4.240   9.940  -4.533
  205   1HG1  VAL 587          1HG1      VAL 587  -1.645   8.776  -5.489
  206   2HG1  VAL 587          2HG1      VAL 587  -2.443  10.021  -6.449
  207   3HG1  VAL 587          3HG1      VAL 587  -1.964  10.362  -4.786
  208   1HG2  VAL 587          1HG2      VAL 587  -5.000   7.627  -5.807
  209   2HG2  VAL 587          2HG2      VAL 587  -5.225   9.248  -6.468
  210   3HG2  VAL 587          3HG2      VAL 587  -3.823   8.290  -6.943
  211    H    VAL 588           H        VAL 588  -1.921   6.485  -2.643
  212    HA   VAL 588           HA       VAL 588  -0.518   5.440  -4.984
  213    HB   VAL 588           HB       VAL 588   0.752   5.623  -2.923
  214   1HG1  VAL 588          1HG1      VAL 588  -1.569   4.033  -1.827
  215   2HG1  VAL 588          2HG1      VAL 588  -0.013   4.070  -0.997
  216   3HG1  VAL 588          3HG1      VAL 588  -0.916   5.563  -1.243
  217   1HG2  VAL 588          1HG2      VAL 588   0.608   3.313  -4.452
  218   2HG2  VAL 588          2HG2      VAL 588   1.814   3.610  -3.194
  219   3HG2  VAL 588          3HG2      VAL 588   0.353   2.694  -2.816
  220    H    THR 589           H        THR 589  -0.610   3.305  -5.722
  221    HA   THR 589           HA       THR 589  -3.046   1.819  -4.866
  222    HB   THR 589           HB       THR 589  -2.396   0.692  -7.267
  223    HG1  THR 589           HG1      THR 589  -1.731   2.304  -8.629
  224   1HG2  THR 589          1HG2      THR 589  -4.538   1.916  -6.275
  225   2HG2  THR 589          2HG2      THR 589  -3.991   3.218  -7.331
  226   3HG2  THR 589          3HG2      THR 589  -4.372   1.634  -8.008
  227    H    LEU 590           H        LEU 590  -2.513   0.111  -3.615
  228    HA   LEU 590           HA       LEU 590   0.206  -0.973  -3.639
  229   1HB   LEU 590          1HB       LEU 590  -2.285  -1.478  -2.034
  230   2HB   LEU 590          2HB       LEU 590  -0.952  -2.631  -1.969
  231    HG   LEU 590           HG       LEU 590   0.531  -0.528  -1.549
  232   1HD1  LEU 590          1HD1      LEU 590  -2.261   0.480  -0.969
  233   2HD1  LEU 590          2HD1      LEU 590  -0.827   1.201  -0.239
  234   3HD1  LEU 590          3HD1      LEU 590  -1.031   1.224  -1.991
  235   1HD2  LEU 590          1HD2      LEU 590  -0.155  -2.388   0.084
  236   2HD2  LEU 590          2HD2      LEU 590   0.300  -0.845   0.806
  237   3HD2  LEU 590          3HD2      LEU 590  -1.402  -1.279   0.654
  238    H    GLY 591           H        GLY 591   0.858  -2.714  -4.812
  239   1HA   GLY 591          1HA       GLY 591   0.465  -4.149  -6.744
  240   2HA   GLY 591          2HA       GLY 591  -1.236  -4.241  -6.286
  241    H    LEU 592           H        LEU 592  -1.825  -5.660  -4.540
  242    HA   LEU 592           HA       LEU 592   0.172  -7.222  -3.134
  243   1HB   LEU 592          1HB       LEU 592  -2.806  -7.089  -3.265
  244   2HB   LEU 592          2HB       LEU 592  -2.083  -8.579  -2.670
  245    HG   LEU 592           HG       LEU 592  -0.812  -7.323  -0.989
  246   1HD1  LEU 592          1HD1      LEU 592  -0.572  -5.249  -2.359
  247   2HD1  LEU 592          2HD1      LEU 592  -2.274  -4.892  -2.065
  248   3HD1  LEU 592          3HD1      LEU 592  -1.133  -4.917  -0.721
  249   1HD2  LEU 592          1HD2      LEU 592  -3.787  -6.779  -1.124
  250   2HD2  LEU 592          2HD2      LEU 592  -2.960  -8.054  -0.228
  251   3HD2  LEU 592          3HD2      LEU 592  -2.814  -6.375   0.290
  252    H    ASN 593           H        ASN 593   1.203  -8.966  -3.983
  253    HA   ASN 593           HA       ASN 593  -0.101 -10.379  -6.273
  254   1HB   ASN 593          1HB       ASN 593   2.838 -10.428  -5.544
  255   2HB   ASN 593          2HB       ASN 593   2.094 -10.966  -7.050
  256   2HD2  ASN 593          2HD2      ASN 593   3.542  -8.272  -5.491
  257   1HD2  ASN 593          1HD2      ASN 593   3.121  -7.093  -6.636
  258    H    GLY 594           H        GLY 594  -0.426 -12.588  -6.108
  259   1HA   GLY 594          1HA       GLY 594   0.777 -14.029  -3.808
  260   2HA   GLY 594          2HA       GLY 594  -0.004 -14.786  -5.197
  261    H    GLY 595           H        GLY 595  -2.325 -12.949  -5.064
  262   1HA   GLY 595          1HA       GLY 595  -4.045 -14.490  -3.412
  263   2HA   GLY 595          2HA       GLY 595  -4.438 -12.891  -4.046
  264    H    GLN 596           H        GLN 596  -1.871 -11.932  -2.616
  265    HA   GLN 596           HA       GLN 596  -2.030 -12.280   0.163
  266   1HB   GLN 596          1HB       GLN 596  -1.440  -9.643  -1.208
  267   2HB   GLN 596          2HB       GLN 596  -0.862 -10.177   0.371
  268   1HG   GLN 596          1HG       GLN 596  -0.200 -12.133  -1.658
  269   2HG   GLN 596          2HG       GLN 596   0.419 -10.544  -2.109
  270   2HE2  GLN 596          2HE2      GLN 596   2.132  -9.640  -0.833
  271   1HE2  GLN 596          1HE2      GLN 596   2.877 -10.485   0.435
  272    H    SER 597           H        SER 597  -3.042 -10.938   1.824
  273    HA   SER 597           HA       SER 597  -5.363  -9.320   0.914
  274   1HB   SER 597          1HB       SER 597  -5.974 -11.016   3.231
  275   2HB   SER 597          2HB       SER 597  -6.945 -10.680   1.800
  276    HG   SER 597           HG       SER 597  -5.749 -12.892   2.316
  277    H    VAL 598           H        VAL 598  -6.095  -7.813   2.549
  278    HA   VAL 598           HA       VAL 598  -3.934  -6.961   4.333
  279    HB   VAL 598           HB       VAL 598  -6.729  -5.844   3.953
  280   1HG1  VAL 598          1HG1      VAL 598  -4.246  -4.695   5.265
  281   2HG1  VAL 598          2HG1      VAL 598  -5.744  -3.807   4.982
  282   3HG1  VAL 598          3HG1      VAL 598  -5.726  -5.178   6.092
  283   1HG2  VAL 598          1HG2      VAL 598  -4.851  -5.929   2.037
  284   2HG2  VAL 598          2HG2      VAL 598  -5.902  -4.528   2.248
  285   3HG2  VAL 598          3HG2      VAL 598  -4.268  -4.513   2.913
  286    H    GLN 599           H        GLN 599  -3.941  -7.107   6.576
  287    HA   GLN 599           HA       GLN 599  -6.143  -8.750   7.751
  288   1HB   GLN 599          1HB       GLN 599  -3.957  -9.825   7.914
  289   2HB   GLN 599          2HB       GLN 599  -3.270  -8.375   8.646
  290   1HG   GLN 599          1HG       GLN 599  -5.150  -8.670  10.428
  291   2HG   GLN 599          2HG       GLN 599  -5.240 -10.323   9.821
  292   2HE2  GLN 599          2HE2      GLN 599  -2.630  -7.989  10.740
  293   1HE2  GLN 599          1HE2      GLN 599  -1.706  -9.139  11.581
  294    H    SER 600           H        SER 600  -4.035  -5.943   8.351
  295    HA   SER 600           HA       SER 600  -6.157  -4.486   9.655
  296   1HB   SER 600          1HB       SER 600  -4.359  -4.539  11.795
  297   2HB   SER 600          2HB       SER 600  -5.942  -5.308  11.743
  298    HG   SER 600           HG       SER 600  -4.599  -6.964  12.119
  299    H    SER 601           H        SER 601  -5.378  -2.335  10.379
  300    HA   SER 601           HA       SER 601  -2.606  -1.598   9.795
  301   1HB   SER 601          1HB       SER 601  -4.609  -0.096   8.164
  302   2HB   SER 601          2HB       SER 601  -2.903  -0.397   7.843
  303    HG   SER 601           HG       SER 601  -4.563  -1.606   6.576
  304    H    TRP 602           H        TRP 602  -2.277   0.778  10.229
  305    HA   TRP 602           HA       TRP 602  -4.466   2.137  11.654
  306   1HB   TRP 602          1HB       TRP 602  -3.291   2.338  13.757
  307   2HB   TRP 602          2HB       TRP 602  -3.368   0.625  13.348
  308    HD1  TRP 602           HD1      TRP 602  -0.968   3.342  14.144
  309    HE1  TRP 602           HE1      TRP 602   1.445   2.522  13.838
  310    HE3  TRP 602           HE3      TRP 602  -1.838  -1.052  11.692
  311    HZ2  TRP 602           HZ2      TRP 602   2.838   0.292  12.702
  312    HZ3  TRP 602           HZ3      TRP 602   0.051  -2.504  11.010
  313    HH2  TRP 602           HH2      TRP 602   2.386  -1.837  11.512
  314    H    ASN 603           H        ASN 603  -3.619   4.346  12.464
  315    HA   ASN 603           HA       ASN 603  -2.395   6.329  12.088
  316   1HB   ASN 603          1HB       ASN 603  -0.506   4.363  11.652
  317   2HB   ASN 603          2HB       ASN 603  -0.521   5.227  10.114
  318   2HD2  ASN 603          2HD2      ASN 603   1.707   5.359  11.964
  319   1HD2  ASN 603          1HD2      ASN 603   1.816   6.957  12.525
  320    H    ALA 604           H        ALA 604  -4.377   4.812  10.137
  321    HA   ALA 604           HA       ALA 604  -5.028   6.908   8.442
  322   1HB   ALA 604          1HB       ALA 604  -2.605   5.497   7.555
  323   2HB   ALA 604          2HB       ALA 604  -3.231   7.071   7.064
  324   3HB   ALA 604          3HB       ALA 604  -3.853   5.601   6.314
  325    H    ALA 605           H        ALA 605  -6.219   6.060   6.370
  326    HA   ALA 605           HA       ALA 605  -7.394   3.380   7.006
  327   1HB   ALA 605          1HB       ALA 605  -8.847   5.491   7.395
  328   2HB   ALA 605          2HB       ALA 605  -8.911   5.599   5.636
  329   3HB   ALA 605          3HB       ALA 605  -9.551   4.174   6.455
  330    H    LEU 606           H        LEU 606  -7.633   1.973   5.264
  331    HA   LEU 606           HA       LEU 606  -6.631   2.993   2.637
  332   1HB   LEU 606          1HB       LEU 606  -6.350   0.319   4.005
  333   2HB   LEU 606          2HB       LEU 606  -6.147   0.477   2.259
  334    HG   LEU 606           HG       LEU 606  -4.531   2.437   2.862
  335   1HD1  LEU 606          1HD1      LEU 606  -5.275   2.278   5.326
  336   2HD1  LEU 606          2HD1      LEU 606  -4.270   0.830   5.413
  337   3HD1  LEU 606          3HD1      LEU 606  -3.541   2.389   5.025
  338   1HD2  LEU 606          1HD2      LEU 606  -4.000  -0.519   3.175
  339   2HD2  LEU 606          2HD2      LEU 606  -3.564   0.543   1.837
  340   3HD2  LEU 606          3HD2      LEU 606  -2.694   0.649   3.366
  341    H    THR 607           H        THR 607  -7.593   1.868   0.720
  342    HA   THR 607           HA       THR 607 -10.426   1.070   1.265
  343    HB   THR 607           HB       THR 607  -9.343   2.513  -1.175
  344    HG1  THR 607           HG1      THR 607  -9.411   4.040   0.322
  345   1HG2  THR 607          1HG2      THR 607 -12.159   1.811  -0.304
  346   2HG2  THR 607          2HG2      THR 607 -11.748   2.801  -1.705
  347   3HG2  THR 607          3HG2      THR 607 -11.286   1.099  -1.660
  348    H    GLY 608           H        GLY 608 -10.417  -1.134   1.018
  349   1HA   GLY 608          1HA       GLY 608  -8.935  -2.259  -1.321
  350   2HA   GLY 608          2HA       GLY 608 -10.604  -2.730  -1.002
  351    H    SER 609           H        SER 609 -10.111  -4.927  -0.588
  352    HA   SER 609           HA       SER 609  -8.538  -5.390   1.916
  353   1HB   SER 609          1HB       SER 609 -10.013  -7.515   2.025
  354   2HB   SER 609          2HB       SER 609 -10.769  -5.977   2.427
  355    HG   SER 609           HG       SER 609 -12.102  -6.959   0.974
  356    H    SER 610           H        SER 610  -8.545  -5.864  -1.402
  357    HA   SER 610           HA       SER 610  -6.237  -7.576  -1.327
  358   1HB   SER 610          1HB       SER 610  -7.984  -9.265  -0.773
  359   2HB   SER 610          2HB       SER 610  -8.808  -8.875  -2.279
  360    HG   SER 610           HG       SER 610  -7.511 -10.303  -3.107
  361    H    GLY 611           H        GLY 611  -5.128  -6.965  -3.117
  362   1HA   GLY 611          1HA       GLY 611  -6.701  -6.250  -5.560
  363   2HA   GLY 611          2HA       GLY 611  -5.070  -6.921  -5.605
  364    H    THR 612           H        THR 612  -6.665  -4.126  -6.091
  365    HA   THR 612           HA       THR 612  -4.239  -2.528  -5.555
  366    HB   THR 612           HB       THR 612  -6.827  -1.784  -6.953
  367    HG1  THR 612           HG1      THR 612  -5.928  -2.575  -8.673
  368   1HG2  THR 612          1HG2      THR 612  -4.149  -0.380  -6.747
  369   2HG2  THR 612          2HG2      THR 612  -5.453   0.108  -7.830
  370   3HG2  THR 612          3HG2      THR 612  -5.682   0.182  -6.083
  371    H    VAL 613           H        VAL 613  -4.140  -1.819  -3.455
  372    HA   VAL 613           HA       VAL 613  -6.644  -0.838  -2.187
  373    HB   VAL 613           HB       VAL 613  -4.076  -2.008  -1.208
  374   1HG1  VAL 613          1HG1      VAL 613  -5.732  -0.037   0.389
  375   2HG1  VAL 613          2HG1      VAL 613  -4.479  -1.082   1.062
  376   3HG1  VAL 613          3HG1      VAL 613  -4.054   0.166  -0.110
  377   1HG2  VAL 613          1HG2      VAL 613  -7.017  -2.204  -0.543
  378   2HG2  VAL 613          2HG2      VAL 613  -5.959  -3.456  -1.195
  379   3HG2  VAL 613          3HG2      VAL 613  -5.781  -2.935   0.481
  380    H    THR 614           H        THR 614  -6.932   1.343  -2.305
  381    HA   THR 614           HA       THR 614  -4.608   3.077  -2.845
  382    HB   THR 614           HB       THR 614  -7.473   3.970  -2.511
  383    HG1  THR 614           HG1      THR 614  -7.909   2.955  -4.275
  384   1HG2  THR 614          1HG2      THR 614  -4.989   5.243  -3.142
  385   2HG2  THR 614          2HG2      THR 614  -6.016   5.297  -4.576
  386   3HG2  THR 614          3HG2      THR 614  -6.595   5.967  -3.050
  387    H    ALA 615           H        ALA 615  -3.747   4.513  -1.359
  388    HA   ALA 615           HA       ALA 615  -4.517   4.132   1.444
  389   1HB   ALA 615          1HB       ALA 615  -2.770   6.272   1.434
  390   2HB   ALA 615          2HB       ALA 615  -2.291   4.577   1.548
  391   3HB   ALA 615          3HB       ALA 615  -2.293   5.386  -0.017
  392    H    ARG 616           H        ARG 616  -5.491   5.698   2.783
  393    HA   ARG 616           HA       ARG 616  -6.547   8.121   1.394
  394   1HB   ARG 616          1HB       ARG 616  -8.057   5.894   2.288
  395   2HB   ARG 616          2HB       ARG 616  -8.380   7.207   3.419
  396   1HG   ARG 616          1HG       ARG 616  -8.516   8.580   1.098
  397   2HG   ARG 616          2HG       ARG 616  -9.034   6.994   0.528
  398   1HD   ARG 616          1HD       ARG 616 -10.537   7.077   2.717
  399   2HD   ARG 616          2HD       ARG 616 -10.344   8.817   2.505
  400    HE   ARG 616           HE       ARG 616 -11.977   7.090   0.857
  401   1HH1  ARG 616          1HH1      ARG 616 -11.474  10.245   1.492
  402   2HH1  ARG 616          2HH1      ARG 616 -11.538  10.817  -0.142
  403   1HH2  ARG 616          1HH2      ARG 616 -11.395   7.645  -1.536
  404   2HH2  ARG 616          2HH2      ARG 616 -11.494   9.345  -1.857
  405    HA   PRO 617           HA       PRO 617  -4.978  10.118   5.004
  406   1HB   PRO 617          1HB       PRO 617  -6.215  12.543   4.624
  407   2HB   PRO 617          2HB       PRO 617  -4.799  12.013   3.700
  408   1HG   PRO 617          1HG       PRO 617  -7.648  12.176   2.836
  409   2HG   PRO 617          2HG       PRO 617  -6.172  12.272   1.861
  410   1HD   PRO 617          1HD       PRO 617  -7.853  10.008   2.106
  411   2HD   PRO 617          2HD       PRO 617  -6.219  10.028   1.411
  412    H    ASN 618           H        ASN 618  -5.743  10.889   7.086
  413    HA   ASN 618           HA       ASN 618  -8.672  10.853   7.544
  414   1HB   ASN 618          1HB       ASN 618  -8.567   9.220   9.296
  415   2HB   ASN 618          2HB       ASN 618  -7.715   8.517   7.919
  416   2HD2  ASN 618          2HD2      ASN 618  -7.415   8.558  11.129
  417   1HD2  ASN 618          1HD2      ASN 618  -5.731   8.670  11.305
  418    H    GLY 619           H        GLY 619  -6.600  12.931   7.573
  419   1HA   GLY 619          1HA       GLY 619  -6.870  13.747  10.435
  420   2HA   GLY 619          2HA       GLY 619  -6.823  14.880   9.084
  421    H    SER 620           H        SER 620  -4.686  14.287   7.642
  422    HA   SER 620           HA       SER 620  -2.356  14.600   7.605
  423   1HB   SER 620          1HB       SER 620  -3.220  15.703  10.125
  424   2HB   SER 620          2HB       SER 620  -1.674  14.888  10.338
  425    HG   SER 620           HG       SER 620  -1.208  16.088   8.222
  426    H    GLY 621           H        GLY 621  -1.097  12.835   7.281
  427   1HA   GLY 621          1HA       GLY 621  -1.504  10.383   8.776
  428   2HA   GLY 621          2HA       GLY 621   0.012  11.171   9.214
  429    H    ASN 622           H        ASN 622   1.732  11.071   7.761
  430    HA   ASN 622           HA       ASN 622   1.212   9.962   5.053
  431   1HB   ASN 622          1HB       ASN 622   3.781  11.076   6.221
  432   2HB   ASN 622          2HB       ASN 622   3.483  10.685   4.528
  433   2HD2  ASN 622          2HD2      ASN 622   1.932  12.068   3.338
  434   1HD2  ASN 622          1HD2      ASN 622   1.555  13.621   3.909
  435    H    SER 623           H        SER 623   1.862   8.767   8.063
  436    HA   SER 623           HA       SER 623   3.484   6.515   6.943
  437   1HB   SER 623          1HB       SER 623   3.485   7.859   9.625
  438   2HB   SER 623          2HB       SER 623   3.916   6.155   9.524
  439    HG   SER 623           HG       SER 623   5.684   7.707   9.278
  440    H    PHE 624           H        PHE 624   2.436   4.586   6.865
  441    HA   PHE 624           HA       PHE 624   0.279   4.047   8.834
  442   1HB   PHE 624          1HB       PHE 624  -1.324   3.435   7.164
  443   2HB   PHE 624          2HB       PHE 624  -0.698   5.012   6.683
  444    HD1  PHE 624           HD1      PHE 624  -0.438   1.356   6.061
  445    HD2  PHE 624           HD2      PHE 624   0.535   5.298   4.655
  446    HE1  PHE 624           HE1      PHE 624   0.302   0.401   3.896
  447    HE2  PHE 624           HE2      PHE 624   1.275   4.339   2.487
  448    HZ   PHE 624           HZ       PHE 624   1.158   1.892   2.110
  449    H    GLY 625           H        GLY 625   0.131   1.866   9.378
  450   1HA   GLY 625          1HA       GLY 625   1.609  -0.080   9.747
  451   2HA   GLY 625          2HA       GLY 625   2.155   0.092   8.079
  452    H    VAL 626           H        VAL 626   1.495  -1.924   7.303
  453    HA   VAL 626           HA       VAL 626  -1.350  -2.698   7.703
  454    HB   VAL 626           HB       VAL 626  -0.086  -2.799   4.963
  455   1HG1  VAL 626          1HG1      VAL 626  -2.892  -2.956   6.084
  456   2HG1  VAL 626          2HG1      VAL 626  -2.574  -2.709   4.367
  457   3HG1  VAL 626          3HG1      VAL 626  -2.023  -4.183   5.163
  458   1HG2  VAL 626          1HG2      VAL 626  -1.694  -0.553   6.219
  459   2HG2  VAL 626          2HG2      VAL 626  -0.047  -0.453   5.598
  460   3HG2  VAL 626          3HG2      VAL 626  -1.393  -0.703   4.488
  461    H    THR 627           H        THR 627  -1.721  -4.987   7.246
  462    HA   THR 627           HA       THR 627   0.810  -6.584   7.238
  463    HB   THR 627           HB       THR 627  -1.785  -7.144   8.707
  464    HG1  THR 627           HG1      THR 627  -0.325  -5.576   9.611
  465   1HG2  THR 627          1HG2      THR 627   0.275  -8.909   7.766
  466   2HG2  THR 627          2HG2      THR 627   0.331  -8.847   9.529
  467   3HG2  THR 627          3HG2      THR 627  -1.163  -9.302   8.709
  468    H    PHE 628           H        PHE 628   0.852  -8.365   5.861
  469    HA   PHE 628           HA       PHE 628  -1.653  -8.954   4.344
  470   1HB   PHE 628          1HB       PHE 628   1.094  -8.883   3.076
  471   2HB   PHE 628          2HB       PHE 628  -0.468  -8.997   2.266
  472    HD1  PHE 628           HD1      PHE 628   1.826  -6.766   4.114
  473    HD2  PHE 628           HD2      PHE 628  -1.873  -7.048   1.949
  474    HE1  PHE 628           HE1      PHE 628   1.704  -4.292   4.000
  475    HE2  PHE 628           HE2      PHE 628  -1.996  -4.574   1.835
  476    HZ   PHE 628           HZ       PHE 628  -0.207  -3.196   2.860
  477    H    TYR 629           H        TYR 629  -1.973 -11.140   3.916
  478    HA   TYR 629           HA       TYR 629  -0.215 -13.004   5.367
  479   1HB   TYR 629          1HB       TYR 629  -2.820 -13.369   3.863
  480   2HB   TYR 629          2HB       TYR 629  -1.948 -14.697   4.633
  481    HD1  TYR 629           HD1      TYR 629  -1.190 -14.182   7.151
  482    HD2  TYR 629           HD2      TYR 629  -4.463 -12.288   5.112
  483    HE1  TYR 629           HE1      TYR 629  -2.208 -13.589   9.333
  484    HE2  TYR 629           HE2      TYR 629  -5.479 -11.695   7.295
  485    HH   TYR 629           HH       TYR 629  -4.067 -12.821  10.345
  486    H    LYS 630           H        LYS 630   1.426 -14.068   4.372
  487    HA   LYS 630           HA       LYS 630   1.249 -14.445   1.410
  488   1HB   LYS 630          1HB       LYS 630   3.865 -14.338   1.624
  489   2HB   LYS 630          2HB       LYS 630   2.938 -12.837   1.579
  490   1HG   LYS 630          1HG       LYS 630   3.261 -12.406   3.827
  491   2HG   LYS 630          2HG       LYS 630   3.406 -14.115   4.241
  492   1HD   LYS 630          1HD       LYS 630   5.604 -13.203   4.462
  493   2HD   LYS 630          2HD       LYS 630   5.607 -14.104   2.944
  494   1HE   LYS 630          1HE       LYS 630   4.701 -11.420   2.447
  495   2HE   LYS 630          2HE       LYS 630   6.227 -11.362   3.326
  496   1HZ   LYS 630          1HZ       LYS 630   6.465 -13.370   1.430
  497   2HZ   LYS 630          2HZ       LYS 630   5.768 -12.045   0.628
  498   3HZ   LYS 630          3HZ       LYS 630   7.245 -11.861   1.441
  499    H    ASN 631           H        ASN 631   2.376 -15.703   4.514
  500    HA   ASN 631           HA       ASN 631   2.804 -17.917   5.169
  501   1HB   ASN 631          1HB       ASN 631   1.731 -18.727   2.455
  502   2HB   ASN 631          2HB       ASN 631   1.770 -19.691   3.932
  503   2HD2  ASN 631          2HD2      ASN 631  -0.646 -18.949   2.361
  504   1HD2  ASN 631          1HD2      ASN 631  -1.640 -18.067   3.416
  505    H    GLY 632           H        GLY 632   4.657 -16.240   3.421
  506   1HA   GLY 632          1HA       GLY 632   6.738 -18.218   3.146
  507   2HA   GLY 632          2HA       GLY 632   6.834 -16.546   2.590
  508    H    SER 633           H        SER 633   4.454 -16.738   0.897
  509    HA   SER 633           HA       SER 633   5.723 -18.127  -1.387
  510   1HB   SER 633          1HB       SER 633   3.149 -18.928  -0.101
  511   2HB   SER 633          2HB       SER 633   3.228 -18.964  -1.861
  512    HG   SER 633           HG       SER 633   5.394 -20.075  -1.288
  513    H    SER 634           H        SER 634   5.392 -15.343  -0.824
  514    HA   SER 634           HA       SER 634   3.919 -14.568  -3.241
  515   1HB   SER 634          1HB       SER 634   3.052 -13.646  -0.490
  516   2HB   SER 634          2HB       SER 634   2.567 -12.849  -1.983
  517    HG   SER 634           HG       SER 634   1.953 -15.430  -1.033
  518    H    ALA 635           H        ALA 635   4.309 -12.254  -3.756
  519    HA   ALA 635           HA       ALA 635   6.997 -11.451  -2.827
  520   1HB   ALA 635          1HB       ALA 635   5.241 -10.808  -5.146
  521   2HB   ALA 635          2HB       ALA 635   6.976 -11.117  -5.102
  522   3HB   ALA 635          3HB       ALA 635   6.349  -9.544  -4.613
  523    H    THR 636           H        THR 636   7.324  -9.065  -2.348
  524    HA   THR 636           HA       THR 636   5.445  -8.240  -0.288
  525    HB   THR 636           HB       THR 636   7.620  -6.484  -1.412
  526    HG1  THR 636           HG1      THR 636   9.095  -7.634  -0.202
  527   1HG2  THR 636          1HG2      THR 636   6.335  -6.936   1.283
  528   2HG2  THR 636          2HG2      THR 636   7.849  -6.048   1.106
  529   3HG2  THR 636          3HG2      THR 636   6.381  -5.452   0.333
  530    HA   PRO 637           HA       PRO 637   2.920  -5.774  -2.947
  531   1HB   PRO 637          1HB       PRO 637   1.624  -4.360  -0.976
  532   2HB   PRO 637          2HB       PRO 637   1.245  -6.041  -1.386
  533   1HG   PRO 637          1HG       PRO 637   2.728  -4.971   0.971
  534   2HG   PRO 637          2HG       PRO 637   1.790  -6.467   0.820
  535   1HD   PRO 637          1HD       PRO 637   4.607  -6.271   0.740
  536   2HD   PRO 637          2HD       PRO 637   3.647  -7.682   0.246
  537    H    GLY 638           H        GLY 638   4.433  -4.367  -3.966
  538   1HA   GLY 638          1HA       GLY 638   5.674  -2.397  -4.309
  539   2HA   GLY 638          2HA       GLY 638   5.742  -2.204  -2.556
  540    H    ALA 639           H        ALA 639   5.268   0.064  -2.753
  541    HA   ALA 639           HA       ALA 639   2.376   0.595  -3.219
  542   1HB   ALA 639          1HB       ALA 639   4.090   1.339  -1.152
  543   2HB   ALA 639          2HB       ALA 639   3.927   2.804  -2.121
  544   3HB   ALA 639          3HB       ALA 639   2.492   2.014  -1.471
  545    H    THR 640           H        THR 640   1.742   1.885  -4.879
  546    HA   THR 640           HA       THR 640   3.858   2.968  -6.662
  547    HB   THR 640           HB       THR 640   0.986   3.082  -7.345
  548    HG1  THR 640           HG1      THR 640   1.113   0.861  -7.978
  549   1HG2  THR 640          1HG2      THR 640   3.608   2.696  -8.734
  550   2HG2  THR 640          2HG2      THR 640   2.138   2.116  -9.516
  551   3HG2  THR 640          3HG2      THR 640   2.304   3.823  -9.105
  552    H    CYS 641           H        CYS 641   3.887   5.131  -7.298
  553    HA   CYS 641           HA       CYS 641   2.056   6.953  -5.789
  554   1HB   CYS 641          1HB       CYS 641   4.697   7.963  -6.760
  555   2HB   CYS 641          2HB       CYS 641   3.782   8.418  -5.324
  556    H    ALA 642           H        ALA 642   0.545   7.129  -7.496
  557    HA   ALA 642           HA       ALA 642   1.600   8.238 -10.063
  558   1HB   ALA 642          1HB       ALA 642  -0.363   6.254  -9.487
  559   2HB   ALA 642          2HB       ALA 642   0.127   6.866 -11.066
  560   3HB   ALA 642          3HB       ALA 642  -1.199   7.637 -10.194
  561    H    THR 643           H        THR 643   0.386  10.039 -11.016
  562    HA   THR 643           HA       THR 643  -0.958  11.697  -8.921
  563    HB   THR 643           HB       THR 643  -0.171  13.663 -10.094
  564    HG1  THR 643           HG1      THR 643   0.812  13.539 -12.020
  565   1HG2  THR 643          1HG2      THR 643   1.918  11.540  -9.593
  566   2HG2  THR 643          2HG2      THR 643   2.350  13.199 -10.006
  567   3HG2  THR 643          3HG2      THR 643   1.438  12.866  -8.534
  568    H    GLY 644           H        GLY 644  -3.104  11.421  -9.280
  569   1HA   GLY 644          1HA       GLY 644  -4.286  12.445 -11.718
  570   2HA   GLY 644          2HA       GLY 644  -5.168  11.705 -10.380

  No H/Q in entry =         570
  Start of MODEL    4
    1    H1   THR 557           H1       THR 557  -2.236  15.744 -10.245
    2    H2   THR 557           H2       THR 557  -2.739  15.813  -8.623
    3    H3   THR 557           H3       THR 557  -3.644  16.595  -9.831
    4    HA   THR 557           HA       THR 557  -2.245  18.353  -9.978
    5    HB   THR 557           HB       THR 557  -1.282  18.817  -7.674
    6    HG1  THR 557           HG1      THR 557  -2.314  17.041  -6.227
    7   1HG2  THR 557          1HG2      THR 557  -4.001  18.478  -8.519
    8   2HG2  THR 557          2HG2      THR 557  -3.876  18.025  -6.819
    9   3HG2  THR 557          3HG2      THR 557  -3.351  19.624  -7.347
   10    H    GLY 558           H        GLY 558  -0.444  15.590  -8.613
   11   1HA   GLY 558          1HA       GLY 558   2.172  16.493  -8.850
   12   2HA   GLY 558          2HA       GLY 558   1.736  16.000 -10.488
   13    H    SER 559           H        SER 559   3.698  14.764  -8.646
   14    HA   SER 559           HA       SER 559   2.470  12.040  -8.525
   15   1HB   SER 559          1HB       SER 559   4.612  11.120  -9.027
   16   2HB   SER 559          2HB       SER 559   4.414  12.472 -10.138
   17    HG   SER 559           HG       SER 559   6.459  12.255  -8.839
   18    H    CYS 560           H        CYS 560   3.313  10.645  -6.750
   19    HA   CYS 560           HA       CYS 560   3.918  12.298  -4.342
   20   1HB   CYS 560          1HB       CYS 560   2.011  11.253  -3.667
   21   2HB   CYS 560          2HB       CYS 560   2.173   9.959  -4.842
   22    H    SER 561           H        SER 561   5.264  11.128  -2.690
   23    HA   SER 561           HA       SER 561   7.285   9.330  -3.967
   24   1HB   SER 561          1HB       SER 561   8.853  10.702  -2.256
   25   2HB   SER 561          2HB       SER 561   8.614  11.204  -3.927
   26    HG   SER 561           HG       SER 561   8.222  12.922  -2.497
   27    H    VAL 562           H        VAL 562   7.700   7.541  -2.716
   28    HA   VAL 562           HA       VAL 562   7.374   7.693   0.210
   29    HB   VAL 562           HB       VAL 562   5.827   5.532  -1.171
   30   1HG1  VAL 562          1HG1      VAL 562   5.565   7.045   1.434
   31   2HG1  VAL 562          2HG1      VAL 562   4.432   5.810   0.888
   32   3HG1  VAL 562          3HG1      VAL 562   6.108   5.382   1.229
   33   1HG2  VAL 562          1HG2      VAL 562   5.087   7.626  -2.251
   34   2HG2  VAL 562          2HG2      VAL 562   3.831   6.980  -1.190
   35   3HG2  VAL 562          3HG2      VAL 562   4.816   8.343  -0.660
   36    H    SER 563           H        SER 563   8.181   5.745   1.279
   37    HA   SER 563           HA       SER 563   9.867   4.026  -0.497
   38   1HB   SER 563          1HB       SER 563  10.611   5.260   2.170
   39   2HB   SER 563          2HB       SER 563  11.559   4.015   1.362
   40    HG   SER 563           HG       SER 563  12.127   6.312   0.969
   41    H    ALA 564           H        ALA 564   9.776   1.837  -0.011
   42    HA   ALA 564           HA       ALA 564   7.846   1.064   2.106
   43   1HB   ALA 564          1HB       ALA 564   7.580   0.135  -0.192
   44   2HB   ALA 564          2HB       ALA 564   9.154  -0.645  -0.031
   45   3HB   ALA 564          3HB       ALA 564   7.821  -1.124   1.020
   46    H    VAL 565           H        VAL 565   8.508   0.146   3.985
   47    HA   VAL 565           HA       VAL 565  11.364  -0.736   4.172
   48    HB   VAL 565           HB       VAL 565   9.754   0.066   6.571
   49   1HG1  VAL 565          1HG1      VAL 565  12.479  -0.610   5.931
   50   2HG1  VAL 565          2HG1      VAL 565  12.425   1.037   6.561
   51   3HG1  VAL 565          3HG1      VAL 565  11.768  -0.294   7.514
   52   1HG2  VAL 565          1HG2      VAL 565  10.731   1.833   4.374
   53   2HG2  VAL 565          2HG2      VAL 565   9.371   2.059   5.475
   54   3HG2  VAL 565          3HG2      VAL 565  11.013   2.383   6.027
   55    H    ARG 566           H        ARG 566  11.696  -2.497   5.815
   56    HA   ARG 566           HA       ARG 566   9.587  -4.531   5.543
   57   1HB   ARG 566          1HB       ARG 566  12.393  -4.505   6.655
   58   2HB   ARG 566          2HB       ARG 566  11.313  -5.863   6.978
   59   1HG   ARG 566          1HG       ARG 566  11.178  -5.166   4.184
   60   2HG   ARG 566          2HG       ARG 566  12.861  -5.420   4.650
   61   1HD   ARG 566          1HD       ARG 566  11.461  -7.476   5.935
   62   2HD   ARG 566          2HD       ARG 566  10.727  -7.373   4.335
   63    HE   ARG 566           HE       ARG 566  13.227  -7.450   3.536
   64   1HH1  ARG 566          1HH1      ARG 566  14.456  -7.963   6.151
   65   2HH1  ARG 566          2HH1      ARG 566  14.478  -9.693   6.248
   66   1HH2  ARG 566          1HH2      ARG 566  12.144 -10.129   3.721
   67   2HH2  ARG 566          2HH2      ARG 566  13.170 -10.919   4.872
   68    H    GLY 567           H        GLY 567   8.291  -2.808   6.855
   69   1HA   GLY 567          1HA       GLY 567   6.952  -2.609   8.763
   70   2HA   GLY 567          2HA       GLY 567   8.497  -2.184   9.504
   71    H    GLU 568           H        GLU 568   7.414  -3.241  11.430
   72    HA   GLU 568           HA       GLU 568   8.555  -5.615  12.209
   73   1HB   GLU 568          1HB       GLU 568   5.925  -4.355  12.929
   74   2HB   GLU 568          2HB       GLU 568   6.354  -5.926  13.606
   75   1HG   GLU 568          1HG       GLU 568   8.670  -4.639  14.058
   76   2HG   GLU 568          2HG       GLU 568   7.578  -3.254  14.094
   77    H    GLU 569           H        GLU 569   7.551  -7.811  12.511
   78    HA   GLU 569           HA       GLU 569   5.460  -8.586  10.601
   79   1HB   GLU 569          1HB       GLU 569   6.873 -10.204   9.403
   80   2HB   GLU 569          2HB       GLU 569   7.501  -8.569   9.191
   81   1HG   GLU 569          1HG       GLU 569   9.409  -9.024  10.338
   82   2HG   GLU 569          2HG       GLU 569   8.559  -9.970  11.559
   83    H    TRP 570           H        TRP 570   5.996 -11.364  10.637
   84    HA   TRP 570           HA       TRP 570   6.390 -12.124  13.458
   85   1HB   TRP 570          1HB       TRP 570   3.749 -12.544  12.027
   86   2HB   TRP 570          2HB       TRP 570   4.179 -13.266  13.578
   87    HD1  TRP 570           HD1      TRP 570   4.430 -11.635  15.676
   88    HE1  TRP 570           HE1      TRP 570   3.484  -9.280  16.134
   89    HE3  TRP 570           HE3      TRP 570   3.095 -10.286  10.935
   90    HZ2  TRP 570           HZ2      TRP 570   2.316  -7.111  14.679
   91    HZ3  TRP 570           HZ3      TRP 570   2.069  -8.073  10.499
   92    HH2  TRP 570           HH2      TRP 570   1.679  -6.485  12.364
   93    H    ALA 571           H        ALA 571   4.440 -14.187  11.458
   94    HA   ALA 571           HA       ALA 571   6.839 -15.659  10.507
   95   1HB   ALA 571          1HB       ALA 571   5.287 -17.739  11.300
   96   2HB   ALA 571          2HB       ALA 571   4.877 -16.557  12.543
   97   3HB   ALA 571          3HB       ALA 571   6.557 -17.044  12.309
   98    H    ASP 572           H        ASP 572   3.320 -16.296  10.682
   99    HA   ASP 572           HA       ASP 572   3.308 -17.135   7.880
  100   1HB   ASP 572          1HB       ASP 572   0.811 -16.600   9.464
  101   2HB   ASP 572          2HB       ASP 572   1.122 -17.861   8.271
  102    H    ARG 573           H        ARG 573   2.870 -14.192   9.599
  103    HA   ARG 573           HA       ARG 573   1.970 -12.899   7.068
  104   1HB   ARG 573          1HB       ARG 573   0.928 -11.351   9.199
  105   2HB   ARG 573          2HB       ARG 573   0.019 -12.277   8.007
  106   1HG   ARG 573          1HG       ARG 573   0.285 -14.303   9.462
  107   2HG   ARG 573          2HG       ARG 573   1.039 -13.276  10.682
  108   1HD   ARG 573          1HD       ARG 573  -0.962 -11.991  10.968
  109   2HD   ARG 573          2HD       ARG 573  -1.704 -12.710   9.539
  110    HE   ARG 573           HE       ARG 573  -2.051 -14.752  10.796
  111   1HH1  ARG 573          1HH1      ARG 573   0.029 -15.178  12.629
  112   2HH1  ARG 573          2HH1      ARG 573  -0.538 -14.554  14.142
  113   1HH2  ARG 573          1HH2      ARG 573  -3.056 -12.646  12.714
  114   2HH2  ARG 573          2HH2      ARG 573  -2.285 -13.120  14.190
  115    H    PHE 574           H        PHE 574   2.911 -10.862   6.698
  116    HA   PHE 574           HA       PHE 574   4.932 -10.006   8.734
  117   1HB   PHE 574          1HB       PHE 574   6.319  -9.223   6.821
  118   2HB   PHE 574          2HB       PHE 574   6.046 -10.965   6.771
  119    HD1  PHE 574           HD1      PHE 574   4.928  -7.707   5.368
  120    HD2  PHE 574           HD2      PHE 574   4.837 -11.984   4.983
  121    HE1  PHE 574           HE1      PHE 574   3.895  -7.483   3.126
  122    HE2  PHE 574           HE2      PHE 574   3.803 -11.760   2.740
  123    HZ   PHE 574           HZ       PHE 574   3.332  -9.509   1.811
  124    H    ASN 575           H        ASN 575   5.236  -7.710   8.921
  125    HA   ASN 575           HA       ASN 575   2.966  -6.129   7.785
  126   1HB   ASN 575          1HB       ASN 575   3.400  -6.490  10.400
  127   2HB   ASN 575          2HB       ASN 575   4.510  -5.144  10.143
  128   2HD2  ASN 575          2HD2      ASN 575   1.099  -6.079  10.113
  129   1HD2  ASN 575          1HD2      ASN 575   0.485  -4.504   9.968
  130    H    VAL 576           H        VAL 576   3.452  -3.985   7.041
  131    HA   VAL 576           HA       VAL 576   6.365  -3.449   6.625
  132    HB   VAL 576           HB       VAL 576   4.281  -2.685   4.597
  133   1HG1  VAL 576          1HG1      VAL 576   6.685  -1.796   4.623
  134   2HG1  VAL 576          2HG1      VAL 576   7.174  -3.437   4.199
  135   3HG1  VAL 576          3HG1      VAL 576   6.127  -2.521   3.116
  136   1HG2  VAL 576          1HG2      VAL 576   4.167  -5.170   5.065
  137   2HG2  VAL 576          2HG2      VAL 576   4.639  -4.764   3.414
  138   3HG2  VAL 576          3HG2      VAL 576   5.862  -5.270   4.582
  139    H    THR 577           H        THR 577   6.857  -1.168   6.390
  140    HA   THR 577           HA       THR 577   4.733   0.645   7.449
  141    HB   THR 577           HB       THR 577   7.652   0.480   8.245
  142    HG1  THR 577           HG1      THR 577   5.228   0.402   9.715
  143   1HG2  THR 577          1HG2      THR 577   5.609   2.666   8.644
  144   2HG2  THR 577          2HG2      THR 577   6.988   2.469   9.727
  145   3HG2  THR 577          3HG2      THR 577   7.251   2.808   8.016
  146    H    TYR 578           H        TYR 578   4.265   1.824   5.623
  147    HA   TYR 578           HA       TYR 578   6.469   2.685   3.846
  148   1HB   TYR 578          1HB       TYR 578   3.491   3.218   3.618
  149   2HB   TYR 578          2HB       TYR 578   4.701   3.459   2.358
  150    HD1  TYR 578           HD1      TYR 578   6.042   1.418   1.564
  151    HD2  TYR 578           HD2      TYR 578   2.457   1.112   3.910
  152    HE1  TYR 578           HE1      TYR 578   5.783  -0.946   0.860
  153    HE2  TYR 578           HE2      TYR 578   2.197  -1.252   3.206
  154    HH   TYR 578           HH       TYR 578   4.579  -3.063   1.930
  155    H    SER 579           H        SER 579   7.009   4.883   3.523
  156    HA   SER 579           HA       SER 579   5.802   6.793   5.486
  157   1HB   SER 579          1HB       SER 579   8.651   7.065   4.589
  158   2HB   SER 579          2HB       SER 579   7.895   7.622   6.080
  159    HG   SER 579           HG       SER 579   9.303   5.675   6.161
  160    H    VAL 580           H        VAL 580   4.706   8.307   4.347
  161    HA   VAL 580           HA       VAL 580   5.421   8.887   1.552
  162    HB   VAL 580           HB       VAL 580   3.192   9.735   3.400
  163   1HG1  VAL 580          1HG1      VAL 580   3.905  11.738   2.114
  164   2HG1  VAL 580          2HG1      VAL 580   3.723  10.823   0.617
  165   3HG1  VAL 580          3HG1      VAL 580   2.312  11.169   1.617
  166   1HG2  VAL 580          1HG2      VAL 580   3.580   7.944   1.076
  167   2HG2  VAL 580          2HG2      VAL 580   2.425   7.831   2.404
  168   3HG2  VAL 580          3HG2      VAL 580   2.101   8.904   1.043
  169    H    SER 581           H        SER 581   5.749  11.154   0.845
  170    HA   SER 581           HA       SER 581   6.989  12.855   2.967
  171   1HB   SER 581          1HB       SER 581   8.651  13.547   1.167
  172   2HB   SER 581          2HB       SER 581   8.837  11.901   1.765
  173    HG   SER 581           HG       SER 581   8.853  11.786  -0.442
  174    H    GLY 582           H        GLY 582   4.542  13.545   2.590
  175   1HA   GLY 582          1HA       GLY 582   3.884  15.034   0.225
  176   2HA   GLY 582          2HA       GLY 582   4.509  16.126   1.463
  177    H    SER 583           H        SER 583   2.732  13.191   2.235
  178    HA   SER 583           HA       SER 583   0.606  12.881   3.167
  179   1HB   SER 583          1HB       SER 583   0.014  14.833   4.809
  180   2HB   SER 583          2HB       SER 583   1.411  13.816   5.153
  181    HG   SER 583           HG       SER 583   1.358  16.420   4.822
  182    H    SER 584           H        SER 584  -0.224  16.203   3.487
  183    HA   SER 584           HA       SER 584  -2.083  17.310   2.538
  184   1HB   SER 584          1HB       SER 584  -0.287  16.615   0.209
  185   2HB   SER 584          2HB       SER 584  -1.709  17.638   0.027
  186    HG   SER 584           HG       SER 584  -0.784  18.936   1.750
  187    H    SER 585           H        SER 585  -1.767  15.422  -0.381
  188    HA   SER 585           HA       SER 585  -4.068  13.709   0.386
  189   1HB   SER 585          1HB       SER 585  -4.009  15.427  -2.112
  190   2HB   SER 585          2HB       SER 585  -5.276  14.284  -1.672
  191    HG   SER 585           HG       SER 585  -6.103  15.938  -0.672
  192    H    TRP 586           H        TRP 586  -1.895  12.407   0.336
  193    HA   TRP 586           HA       TRP 586  -1.071  11.684  -2.399
  194   1HB   TRP 586          1HB       TRP 586   0.600  10.286  -1.353
  195   2HB   TRP 586          2HB       TRP 586   0.605  11.857  -0.552
  196    HD1  TRP 586           HD1      TRP 586  -0.415  11.995   1.907
  197    HE1  TRP 586           HE1      TRP 586  -0.803  10.192   3.699
  198    HE3  TRP 586           HE3      TRP 586  -0.043   7.781  -0.961
  199    HZ2  TRP 586           HZ2      TRP 586  -0.949   7.372   3.907
  200    HZ3  TRP 586           HZ3      TRP 586  -0.317   5.543   0.074
  201    HH2  TRP 586           HH2      TRP 586  -0.768   5.330   2.501
  202    H    VAL 587           H        VAL 587  -2.326  10.321  -3.469
  203    HA   VAL 587           HA       VAL 587  -3.737   8.159  -1.986
  204    HB   VAL 587           HB       VAL 587  -5.339   9.414  -3.161
  205   1HG1  VAL 587          1HG1      VAL 587  -3.214   9.621  -5.278
  206   2HG1  VAL 587          2HG1      VAL 587  -4.903   9.957  -5.657
  207   3HG1  VAL 587          3HG1      VAL 587  -4.067  10.916  -4.435
  208   1HG2  VAL 587          1HG2      VAL 587  -4.756   6.813  -4.034
  209   2HG2  VAL 587          2HG2      VAL 587  -6.276   7.678  -4.261
  210   3HG2  VAL 587          3HG2      VAL 587  -5.036   7.732  -5.513
  211    H    VAL 588           H        VAL 588  -2.105   6.593  -1.940
  212    HA   VAL 588           HA       VAL 588  -0.504   5.995  -4.300
  213    HB   VAL 588           HB       VAL 588  -0.792   4.745  -1.570
  214   1HG1  VAL 588          1HG1      VAL 588   0.777   3.669  -3.944
  215   2HG1  VAL 588          2HG1      VAL 588   1.012   3.141  -2.275
  216   3HG1  VAL 588          3HG1      VAL 588  -0.532   2.857  -3.085
  217   1HG2  VAL 588          1HG2      VAL 588   0.733   6.817  -2.502
  218   2HG2  VAL 588          2HG2      VAL 588   1.164   5.813  -1.118
  219   3HG2  VAL 588          3HG2      VAL 588   1.834   5.454  -2.708
  220    H    THR 589           H        THR 589  -0.422   3.876  -5.247
  221    HA   THR 589           HA       THR 589  -3.053   2.468  -5.256
  222    HB   THR 589           HB       THR 589  -1.686   1.890  -7.672
  223    HG1  THR 589           HG1      THR 589  -0.777   3.684  -8.223
  224   1HG2  THR 589          1HG2      THR 589  -4.229   2.498  -6.843
  225   2HG2  THR 589          2HG2      THR 589  -3.809   3.929  -7.785
  226   3HG2  THR 589          3HG2      THR 589  -3.740   2.331  -8.529
  227    H    LEU 590           H        LEU 590  -2.583   0.711  -3.964
  228    HA   LEU 590           HA       LEU 590   0.067  -0.504  -3.972
  229   1HB   LEU 590          1HB       LEU 590  -2.512  -0.959  -2.540
  230   2HB   LEU 590          2HB       LEU 590  -1.366  -2.299  -2.611
  231    HG   LEU 590           HG       LEU 590   0.111   0.063  -2.007
  232   1HD1  LEU 590          1HD1      LEU 590  -2.566  -0.088  -0.753
  233   2HD1  LEU 590          2HD1      LEU 590  -1.225   0.165   0.365
  234   3HD1  LEU 590          3HD1      LEU 590  -1.496   1.298  -0.959
  235   1HD2  LEU 590          1HD2      LEU 590  -0.540  -2.572  -0.781
  236   2HD2  LEU 590          2HD2      LEU 590   1.032  -1.848  -1.117
  237   3HD2  LEU 590          3HD2      LEU 590   0.112  -1.339   0.298
  238    H    GLY 591           H        GLY 591   0.721  -2.324  -5.050
  239   1HA   GLY 591          1HA       GLY 591   0.245  -3.336  -7.347
  240   2HA   GLY 591          2HA       GLY 591  -1.345  -3.736  -6.695
  241    H    LEU 592           H        LEU 592  -1.355  -5.235  -4.794
  242    HA   LEU 592           HA       LEU 592   0.944  -6.674  -3.948
  243   1HB   LEU 592          1HB       LEU 592  -1.790  -7.923  -4.023
  244   2HB   LEU 592          2HB       LEU 592  -0.549  -8.038  -2.787
  245    HG   LEU 592           HG       LEU 592  -2.416  -5.743  -3.341
  246   1HD1  LEU 592          1HD1      LEU 592  -2.275  -7.845  -1.440
  247   2HD1  LEU 592          2HD1      LEU 592  -1.887  -6.354  -0.581
  248   3HD1  LEU 592          3HD1      LEU 592  -3.406  -6.492  -1.466
  249   1HD2  LEU 592          1HD2      LEU 592   0.339  -5.709  -2.186
  250   2HD2  LEU 592          2HD2      LEU 592  -0.523  -4.447  -3.068
  251   3HD2  LEU 592          3HD2      LEU 592  -0.890  -4.744  -1.369
  252    H    ASN 593           H        ASN 593   0.430  -9.358  -4.290
  253    HA   ASN 593           HA       ASN 593   0.953  -9.676  -7.202
  254   1HB   ASN 593          1HB       ASN 593   1.381 -11.681  -4.969
  255   2HB   ASN 593          2HB       ASN 593   1.987 -11.793  -6.622
  256   2HD2  ASN 593          2HD2      ASN 593   3.734 -11.792  -4.309
  257   1HD2  ASN 593          1HD2      ASN 593   4.671 -10.377  -4.371
  258    H    GLY 594           H        GLY 594  -1.764  -9.346  -6.041
  259   1HA   GLY 594          1HA       GLY 594  -3.140 -11.325  -7.554
  260   2HA   GLY 594          2HA       GLY 594  -3.888 -10.298  -6.331
  261    H    GLY 595           H        GLY 595  -1.804 -11.428  -4.366
  262   1HA   GLY 595          1HA       GLY 595  -1.574 -13.929  -3.692
  263   2HA   GLY 595          2HA       GLY 595  -3.336 -13.922  -3.776
  264    H    GLN 596           H        GLN 596  -0.705 -11.998  -2.279
  265    HA   GLN 596           HA       GLN 596  -1.504 -12.403   0.394
  266   1HB   GLN 596          1HB       GLN 596  -0.258  -9.875  -0.725
  267   2HB   GLN 596          2HB       GLN 596  -0.167 -10.447   0.941
  268   1HG   GLN 596          1HG       GLN 596   1.540 -11.844   0.461
  269   2HG   GLN 596          2HG       GLN 596   0.703 -12.487  -0.953
  270   2HE2  GLN 596          2HE2      GLN 596   0.492 -10.336  -2.655
  271   1HE2  GLN 596          1HE2      GLN 596   2.023  -9.708  -3.032
  272    H    SER 597           H        SER 597  -2.514 -10.735   1.862
  273    HA   SER 597           HA       SER 597  -4.412  -8.897   0.529
  274   1HB   SER 597          1HB       SER 597  -6.281  -9.861   1.980
  275   2HB   SER 597          2HB       SER 597  -5.776 -10.856   0.618
  276    HG   SER 597           HG       SER 597  -5.180 -12.321   1.991
  277    H    VAL 598           H        VAL 598  -5.286  -7.316   2.028
  278    HA   VAL 598           HA       VAL 598  -3.462  -6.798   4.277
  279    HB   VAL 598           HB       VAL 598  -5.789  -5.242   3.113
  280   1HG1  VAL 598          1HG1      VAL 598  -4.068  -4.778   5.535
  281   2HG1  VAL 598          2HG1      VAL 598  -4.675  -3.403   4.614
  282   3HG1  VAL 598          3HG1      VAL 598  -5.805  -4.541   5.346
  283   1HG2  VAL 598          1HG2      VAL 598  -2.781  -4.828   3.092
  284   2HG2  VAL 598          2HG2      VAL 598  -3.776  -5.294   1.713
  285   3HG2  VAL 598          3HG2      VAL 598  -3.958  -3.694   2.430
  286    H    GLN 599           H        GLN 599  -4.001  -7.013   6.433
  287    HA   GLN 599           HA       GLN 599  -6.689  -8.185   7.002
  288   1HB   GLN 599          1HB       GLN 599  -4.778  -9.613   7.616
  289   2HB   GLN 599          2HB       GLN 599  -4.119  -8.313   8.611
  290   1HG   GLN 599          1HG       GLN 599  -6.939  -9.133   9.131
  291   2HG   GLN 599          2HG       GLN 599  -5.666 -10.239   9.649
  292   2HE2  GLN 599          2HE2      GLN 599  -7.516  -8.286  11.204
  293   1HE2  GLN 599          1HE2      GLN 599  -6.438  -7.413  12.181
  294    H    SER 600           H        SER 600  -4.333  -5.777   8.147
  295    HA   SER 600           HA       SER 600  -6.471  -4.033   9.055
  296   1HB   SER 600          1HB       SER 600  -5.726  -4.032  11.460
  297   2HB   SER 600          2HB       SER 600  -6.507  -5.529  10.961
  298    HG   SER 600           HG       SER 600  -3.702  -5.116  10.889
  299    H    SER 601           H        SER 601  -5.652  -1.930   9.592
  300    HA   SER 601           HA       SER 601  -2.712  -1.557   9.460
  301   1HB   SER 601          1HB       SER 601  -4.703  -0.351   7.528
  302   2HB   SER 601          2HB       SER 601  -3.095   0.322   7.778
  303    HG   SER 601           HG       SER 601  -3.853  -2.192   6.743
  304    H    TRP 602           H        TRP 602  -2.039   0.454  10.392
  305    HA   TRP 602           HA       TRP 602  -4.217   2.007  11.726
  306   1HB   TRP 602          1HB       TRP 602  -2.765   2.208  13.718
  307   2HB   TRP 602          2HB       TRP 602  -3.151   0.521  13.377
  308    HD1  TRP 602           HD1      TRP 602  -0.282   2.984  13.461
  309    HE1  TRP 602           HE1      TRP 602   1.926   1.735  13.071
  310    HE3  TRP 602           HE3      TRP 602  -2.092  -1.606  12.143
  311    HZ2  TRP 602           HZ2      TRP 602   2.822  -0.873  12.300
  312    HZ3  TRP 602           HZ3      TRP 602  -0.538  -3.455  11.587
  313    HH2  TRP 602           HH2      TRP 602   1.914  -3.094  11.664
  314    H    ASN 603           H        ASN 603  -3.602   4.245  12.209
  315    HA   ASN 603           HA       ASN 603  -2.444   6.263  11.805
  316   1HB   ASN 603          1HB       ASN 603  -0.423   4.306  11.647
  317   2HB   ASN 603          2HB       ASN 603  -0.259   5.273  10.181
  318   2HD2  ASN 603          2HD2      ASN 603  -0.778   7.825  10.868
  319   1HD2  ASN 603          1HD2      ASN 603   0.188   8.353  12.162
  320    H    ALA 604           H        ALA 604  -4.223   4.650   9.866
  321    HA   ALA 604           HA       ALA 604  -4.615   6.520   7.865
  322   1HB   ALA 604          1HB       ALA 604  -2.262   4.771   7.314
  323   2HB   ALA 604          2HB       ALA 604  -2.566   6.436   6.817
  324   3HB   ALA 604          3HB       ALA 604  -3.351   5.104   5.968
  325    H    ALA 605           H        ALA 605  -6.028   5.712   6.143
  326    HA   ALA 605           HA       ALA 605  -7.085   2.979   6.753
  327   1HB   ALA 605          1HB       ALA 605  -8.520   5.146   7.161
  328   2HB   ALA 605          2HB       ALA 605  -8.733   5.103   5.410
  329   3HB   ALA 605          3HB       ALA 605  -9.262   3.741   6.397
  330    H    LEU 606           H        LEU 606  -7.226   1.557   5.051
  331    HA   LEU 606           HA       LEU 606  -6.284   2.553   2.406
  332   1HB   LEU 606          1HB       LEU 606  -6.365  -0.197   3.665
  333   2HB   LEU 606          2HB       LEU 606  -6.023   0.047   1.952
  334    HG   LEU 606           HG       LEU 606  -3.943  -0.100   3.316
  335   1HD1  LEU 606          1HD1      LEU 606  -4.228   1.375   1.210
  336   2HD1  LEU 606          2HD1      LEU 606  -4.279   2.738   2.329
  337   3HD1  LEU 606          3HD1      LEU 606  -2.844   1.716   2.251
  338   1HD2  LEU 606          1HD2      LEU 606  -5.089   1.036   5.330
  339   2HD2  LEU 606          2HD2      LEU 606  -3.428   1.520   4.988
  340   3HD2  LEU 606          3HD2      LEU 606  -4.766   2.560   4.503
  341    H    THR 607           H        THR 607  -7.336   1.317   0.499
  342    HA   THR 607           HA       THR 607 -10.264   1.003   1.033
  343    HB   THR 607           HB       THR 607  -9.143   2.006  -1.583
  344    HG1  THR 607           HG1      THR 607 -10.137   3.696   0.431
  345   1HG2  THR 607          1HG2      THR 607 -11.595   1.148  -1.050
  346   2HG2  THR 607          2HG2      THR 607 -11.771   2.767  -0.375
  347   3HG2  THR 607          3HG2      THR 607 -11.336   2.562  -2.071
  348    H    GLY 608           H        GLY 608 -10.930  -1.032   0.569
  349   1HA   GLY 608          1HA       GLY 608  -9.680  -2.451  -1.731
  350   2HA   GLY 608          2HA       GLY 608 -11.234  -2.861  -1.003
  351    H    SER 609           H        SER 609  -7.891  -2.444   0.232
  352    HA   SER 609           HA       SER 609  -6.683  -3.777   1.745
  353   1HB   SER 609          1HB       SER 609  -9.208  -5.348   2.250
  354   2HB   SER 609          2HB       SER 609  -7.863  -5.052   3.349
  355    HG   SER 609           HG       SER 609  -9.083  -3.464   4.006
  356    H    SER 610           H        SER 610  -7.298  -4.517  -1.142
  357    HA   SER 610           HA       SER 610  -5.902  -7.037  -1.151
  358   1HB   SER 610          1HB       SER 610  -7.836  -8.293  -2.294
  359   2HB   SER 610          2HB       SER 610  -7.943  -8.091  -0.547
  360    HG   SER 610           HG       SER 610  -9.503  -6.637  -0.797
  361    H    GLY 611           H        GLY 611  -5.268  -7.617  -3.299
  362   1HA   GLY 611          1HA       GLY 611  -6.328  -6.610  -5.705
  363   2HA   GLY 611          2HA       GLY 611  -4.642  -7.087  -5.499
  364    H    THR 612           H        THR 612  -6.554  -4.534  -6.351
  365    HA   THR 612           HA       THR 612  -4.332  -2.639  -5.982
  366    HB   THR 612           HB       THR 612  -7.026  -2.352  -7.347
  367    HG1  THR 612           HG1      THR 612  -4.406  -2.952  -8.177
  368   1HG2  THR 612          1HG2      THR 612  -5.081  -0.384  -6.522
  369   2HG2  THR 612          2HG2      THR 612  -5.174  -0.441  -8.283
  370   3HG2  THR 612          3HG2      THR 612  -6.628  -0.139  -7.332
  371    H    VAL 613           H        VAL 613  -4.230  -1.731  -3.962
  372    HA   VAL 613           HA       VAL 613  -6.775  -0.977  -2.629
  373    HB   VAL 613           HB       VAL 613  -4.020  -1.697  -1.720
  374   1HG1  VAL 613          1HG1      VAL 613  -4.347   0.599  -0.845
  375   2HG1  VAL 613          2HG1      VAL 613  -5.861   0.084  -0.103
  376   3HG1  VAL 613          3HG1      VAL 613  -4.332  -0.606   0.442
  377   1HG2  VAL 613          1HG2      VAL 613  -6.810  -2.492  -1.299
  378   2HG2  VAL 613          2HG2      VAL 613  -5.332  -3.433  -1.097
  379   3HG2  VAL 613          3HG2      VAL 613  -5.891  -2.379   0.202
  380    H    THR 614           H        THR 614  -6.714   1.189  -1.487
  381    HA   THR 614           HA       THR 614  -5.008   3.157  -2.956
  382    HB   THR 614           HB       THR 614  -7.885   3.674  -2.177
  383    HG1  THR 614           HG1      THR 614  -8.318   2.357  -3.749
  384   1HG2  THR 614          1HG2      THR 614  -6.175   5.542  -2.641
  385   2HG2  THR 614          2HG2      THR 614  -6.221   4.995  -4.317
  386   3HG2  THR 614          3HG2      THR 614  -7.688   5.596  -3.544
  387    H    ALA 615           H        ALA 615  -4.343   4.959  -1.704
  388    HA   ALA 615           HA       ALA 615  -4.357   4.505   1.188
  389   1HB   ALA 615          1HB       ALA 615  -2.869   6.408   1.309
  390   2HB   ALA 615          2HB       ALA 615  -3.309   6.915  -0.322
  391   3HB   ALA 615          3HB       ALA 615  -2.382   5.434  -0.079
  392    H    ARG 616           H        ARG 616  -5.130   6.132   2.734
  393    HA   ARG 616           HA       ARG 616  -6.940   8.227   1.789
  394   1HB   ARG 616          1HB       ARG 616  -8.149   5.855   1.842
  395   2HB   ARG 616          2HB       ARG 616  -8.259   6.213   3.566
  396   1HG   ARG 616          1HG       ARG 616  -8.957   8.497   1.860
  397   2HG   ARG 616          2HG       ARG 616 -10.027   7.112   1.645
  398   1HD   ARG 616          1HD       ARG 616  -9.649   7.279   4.411
  399   2HD   ARG 616          2HD       ARG 616  -9.834   8.953   3.889
  400    HE   ARG 616           HE       ARG 616 -11.831   6.899   3.054
  401   1HH1  ARG 616          1HH1      ARG 616 -11.223  10.163   3.290
  402   2HH1  ARG 616          2HH1      ARG 616 -12.706  10.576   4.085
  403   1HH2  ARG 616          1HH2      ARG 616 -13.631   7.281   4.644
  404   2HH2  ARG 616          2HH2      ARG 616 -14.069   8.944   4.851
  405    HA   PRO 617           HA       PRO 617  -4.987   9.007   5.860
  406   1HB   PRO 617          1HB       PRO 617  -4.093  11.516   5.176
  407   2HB   PRO 617          2HB       PRO 617  -3.170  10.033   4.881
  408   1HG   PRO 617          1HG       PRO 617  -4.665  11.729   2.937
  409   2HG   PRO 617          2HG       PRO 617  -3.272  10.670   2.662
  410   1HD   PRO 617          1HD       PRO 617  -5.965  10.061   2.038
  411   2HD   PRO 617          2HD       PRO 617  -4.617   8.906   2.082
  412    H    ASN 618           H        ASN 618  -5.974  10.185   7.531
  413    HA   ASN 618           HA       ASN 618  -8.277  11.911   6.721
  414   1HB   ASN 618          1HB       ASN 618  -9.252  11.350   8.918
  415   2HB   ASN 618          2HB       ASN 618  -8.914   9.888   7.991
  416   2HD2  ASN 618          2HD2      ASN 618  -9.058   9.349  10.617
  417   1HD2  ASN 618          1HD2      ASN 618  -7.527   9.204  11.335
  418    H    GLY 619           H        GLY 619  -5.225  11.866   8.281
  419   1HA   GLY 619          1HA       GLY 619  -5.094  13.612  10.304
  420   2HA   GLY 619          2HA       GLY 619  -5.577  14.712   9.013
  421    H    SER 620           H        SER 620  -4.124  13.798   6.868
  422    HA   SER 620           HA       SER 620  -1.989  13.992   5.913
  423   1HB   SER 620          1HB       SER 620  -0.603  14.971   8.293
  424   2HB   SER 620          2HB       SER 620  -0.823  15.748   6.726
  425    HG   SER 620           HG       SER 620  -2.691  16.609   7.403
  426    H    GLY 621           H        GLY 621  -2.701  11.512   7.071
  427   1HA   GLY 621          1HA       GLY 621  -1.777   9.581   8.095
  428   2HA   GLY 621          2HA       GLY 621  -0.461  10.578   8.715
  429    H    ASN 622           H        ASN 622   1.486  10.209   7.770
  430    HA   ASN 622           HA       ASN 622   1.524   9.305   4.923
  431   1HB   ASN 622          1HB       ASN 622   3.595  10.678   6.654
  432   2HB   ASN 622          2HB       ASN 622   3.976   9.985   5.078
  433   2HD2  ASN 622          2HD2      ASN 622   4.429  12.572   4.953
  434   1HD2  ASN 622          1HD2      ASN 622   3.148  13.461   4.286
  435    H    SER 623           H        SER 623   2.922   8.646   8.132
  436    HA   SER 623           HA       SER 623   4.088   6.122   7.119
  437   1HB   SER 623          1HB       SER 623   4.135   7.225   9.940
  438   2HB   SER 623          2HB       SER 623   5.162   5.956   9.279
  439    HG   SER 623           HG       SER 623   6.441   7.559   8.810
  440    H    PHE 624           H        PHE 624   2.827   4.330   7.115
  441    HA   PHE 624           HA       PHE 624   1.006   3.876   9.417
  442   1HB   PHE 624          1HB       PHE 624  -0.803   3.156   7.843
  443   2HB   PHE 624          2HB       PHE 624  -0.437   4.878   7.731
  444    HD1  PHE 624           HD1      PHE 624   1.048   5.714   5.874
  445    HD2  PHE 624           HD2      PHE 624  -0.463   1.693   5.988
  446    HE1  PHE 624           HE1      PHE 624   1.569   5.449   3.464
  447    HE2  PHE 624           HE2      PHE 624   0.059   1.429   3.577
  448    HZ   PHE 624           HZ       PHE 624   1.075   3.307   2.316
  449    H    GLY 625           H        GLY 625   0.528   1.621   9.739
  450   1HA   GLY 625          1HA       GLY 625   1.852  -0.451   9.948
  451   2HA   GLY 625          2HA       GLY 625   2.436  -0.178   8.306
  452    H    VAL 626           H        VAL 626   1.613  -1.903   7.173
  453    HA   VAL 626           HA       VAL 626  -1.309  -2.466   7.474
  454    HB   VAL 626           HB       VAL 626   0.265  -2.546   4.883
  455   1HG1  VAL 626          1HG1      VAL 626  -2.532  -3.181   5.714
  456   2HG1  VAL 626          2HG1      VAL 626  -2.303  -2.409   4.145
  457   3HG1  VAL 626          3HG1      VAL 626  -1.522  -3.952   4.490
  458   1HG2  VAL 626          1HG2      VAL 626  -0.213  -0.245   6.059
  459   2HG2  VAL 626          2HG2      VAL 626  -0.574  -0.429   4.343
  460   3HG2  VAL 626          3HG2      VAL 626  -1.872  -0.533   5.533
  461    H    THR 627           H        THR 627  -1.798  -4.617   7.720
  462    HA   THR 627           HA       THR 627   0.419  -6.509   7.963
  463    HB   THR 627           HB       THR 627  -2.581  -6.866   8.235
  464    HG1  THR 627           HG1      THR 627  -2.241  -6.288  10.216
  465   1HG2  THR 627          1HG2      THR 627  -0.268  -8.757   8.696
  466   2HG2  THR 627          2HG2      THR 627  -1.858  -9.003   9.416
  467   3HG2  THR 627          3HG2      THR 627  -1.674  -9.003   7.663
  468    H    PHE 628           H        PHE 628   0.430  -8.590   6.778
  469    HA   PHE 628           HA       PHE 628  -1.097  -8.657   4.250
  470   1HB   PHE 628          1HB       PHE 628   1.922  -8.460   4.386
  471   2HB   PHE 628          2HB       PHE 628   1.056  -9.024   2.958
  472    HD1  PHE 628           HD1      PHE 628  -0.667  -7.495   1.881
  473    HD2  PHE 628           HD2      PHE 628   2.103  -6.141   4.872
  474    HE1  PHE 628           HE1      PHE 628  -1.076  -5.147   1.197
  475    HE2  PHE 628           HE2      PHE 628   1.694  -3.792   4.186
  476    HZ   PHE 628           HZ       PHE 628   0.105  -3.295   2.349
  477    H    TYR 629           H        TYR 629  -1.860 -10.715   4.217
  478    HA   TYR 629           HA       TYR 629  -0.671 -12.841   5.770
  479   1HB   TYR 629          1HB       TYR 629  -2.835 -12.740   3.666
  480   2HB   TYR 629          2HB       TYR 629  -2.291 -14.272   4.350
  481    HD1  TYR 629           HD1      TYR 629  -2.253 -14.466   6.937
  482    HD2  TYR 629           HD2      TYR 629  -4.432 -11.441   4.802
  483    HE1  TYR 629           HE1      TYR 629  -3.678 -14.084   8.931
  484    HE2  TYR 629           HE2      TYR 629  -5.856 -11.059   6.796
  485    HH   TYR 629           HH       TYR 629  -6.563 -12.504   8.852
  486    H    LYS 630           H        LYS 630   0.750 -14.448   5.106
  487    HA   LYS 630           HA       LYS 630   1.957 -14.060   2.423
  488   1HB   LYS 630          1HB       LYS 630   3.840 -14.265   3.660
  489   2HB   LYS 630          2HB       LYS 630   2.935 -14.828   5.060
  490   1HG   LYS 630          1HG       LYS 630   3.077 -17.089   4.385
  491   2HG   LYS 630          2HG       LYS 630   3.527 -16.659   2.734
  492   1HD   LYS 630          1HD       LYS 630   5.697 -16.789   3.312
  493   2HD   LYS 630          2HD       LYS 630   5.450 -15.473   4.461
  494   1HE   LYS 630          1HE       LYS 630   5.873 -16.956   6.107
  495   2HE   LYS 630          2HE       LYS 630   4.336 -17.722   5.708
  496   1HZ   LYS 630          1HZ       LYS 630   6.635 -18.385   4.037
  497   2HZ   LYS 630          2HZ       LYS 630   6.619 -19.020   5.613
  498   3HZ   LYS 630          3HZ       LYS 630   5.344 -19.365   4.549
  499    H    ASN 631           H        ASN 631   1.183 -16.897   4.488
  500    HA   ASN 631           HA       ASN 631   0.603 -19.085   3.805
  501   1HB   ASN 631          1HB       ASN 631  -1.273 -17.281   2.258
  502   2HB   ASN 631          2HB       ASN 631  -1.450 -19.035   2.294
  503   2HD2  ASN 631          2HD2      ASN 631  -0.848 -16.422   4.727
  504   1HD2  ASN 631          1HD2      ASN 631  -1.966 -17.022   5.855
  505    H    GLY 632           H        GLY 632   2.915 -18.539   2.540
  506   1HA   GLY 632          1HA       GLY 632   2.723 -20.061   0.098
  507   2HA   GLY 632          2HA       GLY 632   4.177 -19.255   0.692
  508    H    SER 633           H        SER 633   3.167 -16.602   0.795
  509    HA   SER 633           HA       SER 633   2.035 -15.924  -1.815
  510   1HB   SER 633          1HB       SER 633   2.198 -13.623  -1.061
  511   2HB   SER 633          2HB       SER 633   1.589 -14.600   0.271
  512    HG   SER 633           HG       SER 633   4.252 -13.710  -0.160
  513    H    SER 634           H        SER 634   3.736 -13.513  -2.122
  514    HA   SER 634           HA       SER 634   6.317 -14.771  -2.932
  515   1HB   SER 634          1HB       SER 634   5.282 -12.731  -4.790
  516   2HB   SER 634          2HB       SER 634   6.057 -14.274  -5.134
  517    HG   SER 634           HG       SER 634   4.120 -14.961  -5.539
  518    H    ALA 635           H        ALA 635   7.028 -12.218  -4.300
  519    HA   ALA 635           HA       ALA 635   8.422 -10.908  -2.264
  520   1HB   ALA 635          1HB       ALA 635   8.946 -10.398  -4.552
  521   2HB   ALA 635          2HB       ALA 635   8.386  -8.896  -3.817
  522   3HB   ALA 635          3HB       ALA 635   7.307  -9.822  -4.860
  523    H    THR 636           H        THR 636   7.914  -9.341  -0.761
  524    HA   THR 636           HA       THR 636   5.370  -9.025   0.265
  525    HB   THR 636           HB       THR 636   6.604  -6.524   0.663
  526    HG1  THR 636           HG1      THR 636   8.523  -8.570   0.905
  527   1HG2  THR 636          1HG2      THR 636   5.924  -8.930   2.127
  528   2HG2  THR 636          2HG2      THR 636   7.445  -8.255   2.709
  529   3HG2  THR 636          3HG2      THR 636   5.987  -7.263   2.696
  530    HA   PRO 637           HA       PRO 637   3.189  -6.178  -2.278
  531   1HB   PRO 637          1HB       PRO 637   2.086  -4.438  -0.457
  532   2HB   PRO 637          2HB       PRO 637   1.525  -6.104  -0.681
  533   1HG   PRO 637          1HG       PRO 637   3.151  -4.953   1.538
  534   2HG   PRO 637          2HG       PRO 637   2.070  -6.357   1.550
  535   1HD   PRO 637          1HD       PRO 637   4.897  -6.439   1.420
  536   2HD   PRO 637          2HD       PRO 637   3.797  -7.798   1.107
  537    H    GLY 638           H        GLY 638   2.922  -3.731  -2.800
  538   1HA   GLY 638          1HA       GLY 638   5.134  -2.442  -3.584
  539   2HA   GLY 638          2HA       GLY 638   5.191  -2.079  -1.860
  540    H    ALA 639           H        ALA 639   4.609   0.042  -1.727
  541    HA   ALA 639           HA       ALA 639   1.902   0.788  -2.658
  542   1HB   ALA 639          1HB       ALA 639   3.781   1.731  -0.596
  543   2HB   ALA 639          2HB       ALA 639   2.018   1.793  -0.624
  544   3HB   ALA 639          3HB       ALA 639   2.958   3.028  -1.462
  545    H    THR 640           H        THR 640   1.584   2.056  -4.423
  546    HA   THR 640           HA       THR 640   3.969   2.911  -5.940
  547    HB   THR 640           HB       THR 640   1.148   3.266  -6.824
  548    HG1  THR 640           HG1      THR 640   2.490   0.930  -7.482
  549   1HG2  THR 640          1HG2      THR 640   3.030   4.193  -8.165
  550   2HG2  THR 640          2HG2      THR 640   3.686   2.562  -8.313
  551   3HG2  THR 640          3HG2      THR 640   2.126   2.954  -9.036
  552    H    CYS 641           H        CYS 641   4.269   4.964  -6.714
  553    HA   CYS 641           HA       CYS 641   2.532   7.202  -6.066
  554   1HB   CYS 641          1HB       CYS 641   4.903   6.598  -4.384
  555   2HB   CYS 641          2HB       CYS 641   4.725   8.276  -4.881
  556    H    ALA 642           H        ALA 642   2.912   6.901  -8.504
  557    HA   ALA 642           HA       ALA 642   4.937   8.862  -9.335
  558   1HB   ALA 642          1HB       ALA 642   5.159   6.558 -11.082
  559   2HB   ALA 642          2HB       ALA 642   5.588   6.127  -9.425
  560   3HB   ALA 642          3HB       ALA 642   6.435   7.441 -10.242
  561    H    THR 643           H        THR 643   4.667   9.369 -11.703
  562    HA   THR 643           HA       THR 643   1.851   8.820 -12.545
  563    HB   THR 643           HB       THR 643   1.862  10.961 -13.673
  564    HG1  THR 643           HG1      THR 643   3.884  11.265 -14.360
  565   1HG2  THR 643          1HG2      THR 643   2.899  11.023 -10.835
  566   2HG2  THR 643          2HG2      THR 643   2.346  12.472 -11.675
  567   3HG2  THR 643          3HG2      THR 643   1.227  11.142 -11.378
  568    H    GLY 644           H        GLY 644   2.016   7.194 -14.006
  569   1HA   GLY 644          1HA       GLY 644   3.662   5.985 -15.556
  570   2HA   GLY 644          2HA       GLY 644   3.943   7.577 -16.261

  No H/Q in entry =         570
  Start of MODEL    5
    1    H1   THR 557           H1       THR 557   0.255  16.221 -12.635
    2    H2   THR 557           H2       THR 557   0.166  15.395 -14.114
    3    H3   THR 557           H3       THR 557  -0.275  14.608 -12.675
    4    HA   THR 557           HA       THR 557   1.842  13.781 -13.159
    5    HB   THR 557           HB       THR 557   3.640  15.813 -13.365
    6    HG1  THR 557           HG1      THR 557   2.749  17.421 -14.593
    7   1HG2  THR 557          1HG2      THR 557   2.257  13.984 -15.178
    8   2HG2  THR 557          2HG2      THR 557   2.827  15.440 -15.995
    9   3HG2  THR 557          3HG2      THR 557   3.965  14.421 -15.113
   10    H    GLY 558           H        GLY 558   0.557  14.226 -10.767
   11   1HA   GLY 558          1HA       GLY 558   0.961  15.327  -8.581
   12   2HA   GLY 558          2HA       GLY 558   2.660  15.463  -9.038
   13    H    SER 559           H        SER 559   4.004  13.838  -8.374
   14    HA   SER 559           HA       SER 559   2.921  11.136  -7.882
   15   1HB   SER 559          1HB       SER 559   5.712  11.616  -7.124
   16   2HB   SER 559          2HB       SER 559   5.041  10.426  -8.236
   17    HG   SER 559           HG       SER 559   6.266  12.735  -8.783
   18    H    CYS 560           H        CYS 560   3.681  10.048  -5.777
   19    HA   CYS 560           HA       CYS 560   3.448  12.005  -3.525
   20   1HB   CYS 560          1HB       CYS 560   2.540   9.747  -2.373
   21   2HB   CYS 560          2HB       CYS 560   1.475  10.873  -3.209
   22    H    SER 561           H        SER 561   4.960  11.810  -1.886
   23    HA   SER 561           HA       SER 561   7.262  10.091  -2.384
   24   1HB   SER 561          1HB       SER 561   6.532  11.946  -0.102
   25   2HB   SER 561          2HB       SER 561   8.031  11.021  -0.150
   26    HG   SER 561           HG       SER 561   8.454  12.046  -2.180
   27    H    VAL 562           H        VAL 562   7.317   7.984  -1.777
   28    HA   VAL 562           HA       VAL 562   5.912   7.217   0.732
   29    HB   VAL 562           HB       VAL 562   5.429   5.017  -0.768
   30   1HG1  VAL 562          1HG1      VAL 562   3.782   7.518  -0.391
   31   2HG1  VAL 562          2HG1      VAL 562   3.117   6.047  -1.104
   32   3HG1  VAL 562          3HG1      VAL 562   3.732   6.025   0.549
   33   1HG2  VAL 562          1HG2      VAL 562   6.339   6.139  -2.809
   34   2HG2  VAL 562          2HG2      VAL 562   4.640   5.697  -2.981
   35   3HG2  VAL 562          3HG2      VAL 562   5.087   7.373  -2.657
   36    H    SER 563           H        SER 563   6.473   4.801   1.195
   37    HA   SER 563           HA       SER 563   9.077   3.898   0.219
   38   1HB   SER 563          1HB       SER 563   8.761   5.219   2.896
   39   2HB   SER 563          2HB       SER 563   9.887   3.873   2.733
   40    HG   SER 563           HG       SER 563  10.750   6.036   2.308
   41    H    ALA 564           H        ALA 564   9.596   1.744   1.136
   42    HA   ALA 564           HA       ALA 564   7.357   0.496   2.645
   43   1HB   ALA 564          1HB       ALA 564   6.812  -0.018   0.354
   44   2HB   ALA 564          2HB       ALA 564   8.478  -0.484   0.008
   45   3HB   ALA 564          3HB       ALA 564   7.487  -1.481   1.073
   46    H    VAL 565           H        VAL 565   8.905   0.495   4.406
   47    HA   VAL 565           HA       VAL 565  11.426  -0.959   4.111
   48    HB   VAL 565           HB       VAL 565  10.159  -0.391   6.769
   49   1HG1  VAL 565          1HG1      VAL 565  12.916  -0.534   5.574
   50   2HG1  VAL 565          2HG1      VAL 565  12.656   0.389   7.055
   51   3HG1  VAL 565          3HG1      VAL 565  12.284  -1.336   7.013
   52   1HG2  VAL 565          1HG2      VAL 565  10.968   1.594   4.683
   53   2HG2  VAL 565          2HG2      VAL 565   9.720   1.720   5.924
   54   3HG2  VAL 565          3HG2      VAL 565  11.416   1.940   6.354
   55    H    ARG 566           H        ARG 566  11.854  -2.880   5.592
   56    HA   ARG 566           HA       ARG 566   9.668  -4.825   5.288
   57   1HB   ARG 566          1HB       ARG 566  12.573  -4.938   6.000
   58   2HB   ARG 566          2HB       ARG 566  11.538  -6.256   6.552
   59   1HG   ARG 566          1HG       ARG 566  11.595  -7.156   4.494
   60   2HG   ARG 566          2HG       ARG 566  10.846  -5.697   3.844
   61   1HD   ARG 566          1HD       ARG 566  13.668  -5.283   4.445
   62   2HD   ARG 566          2HD       ARG 566  13.430  -6.602   3.299
   63    HE   ARG 566           HE       ARG 566  12.554  -3.786   2.867
   64   1HH1  ARG 566          1HH1      ARG 566  11.040  -6.213   1.603
   65   2HH1  ARG 566          2HH1      ARG 566  11.737  -6.199   0.018
   66   1HH2  ARG 566          1HH2      ARG 566  14.355  -4.100   0.899
   67   2HH2  ARG 566          2HH2      ARG 566  13.614  -5.003  -0.381
   68    H    GLY 567           H        GLY 567   8.559  -3.190   6.871
   69   1HA   GLY 567          1HA       GLY 567   7.363  -3.185   8.886
   70   2HA   GLY 567          2HA       GLY 567   8.969  -2.833   9.533
   71    H    GLU 568           H        GLU 568   8.413  -4.048  11.469
   72    HA   GLU 568           HA       GLU 568   9.423  -6.613  11.682
   73   1HB   GLU 568          1HB       GLU 568   7.398  -5.082  13.257
   74   2HB   GLU 568          2HB       GLU 568   7.585  -6.801  13.608
   75   1HG   GLU 568          1HG       GLU 568   9.854  -6.553  14.212
   76   2HG   GLU 568          2HG       GLU 568   9.985  -4.986  13.414
   77    H    GLU 569           H        GLU 569   8.122  -8.670  12.216
   78    HA   GLU 569           HA       GLU 569   5.658  -8.902  10.567
   79   1HB   GLU 569          1HB       GLU 569   7.879 -10.942  10.358
   80   2HB   GLU 569          2HB       GLU 569   6.472 -10.749   9.312
   81   1HG   GLU 569          1HG       GLU 569   7.339  -8.603   8.500
   82   2HG   GLU 569          2HG       GLU 569   8.724  -8.736   9.583
   83    H    TRP 570           H        TRP 570   5.356 -11.683  10.824
   84    HA   TRP 570           HA       TRP 570   5.543 -12.203  13.745
   85   1HB   TRP 570          1HB       TRP 570   2.987 -12.377  12.120
   86   2HB   TRP 570          2HB       TRP 570   3.167 -12.933  13.784
   87    HD1  TRP 570           HD1      TRP 570   3.849 -11.004  15.618
   88    HE1  TRP 570           HE1      TRP 570   3.166  -8.518  15.701
   89    HE3  TRP 570           HE3      TRP 570   2.377 -10.333  10.774
   90    HZ2  TRP 570           HZ2      TRP 570   2.132  -6.512  13.943
   91    HZ3  TRP 570           HZ3      TRP 570   1.548  -8.128  10.006
   92    HH2  TRP 570           HH2      TRP 570   1.424  -6.219  11.582
   93    H    ALA 571           H        ALA 571   3.424 -14.161  11.814
   94    HA   ALA 571           HA       ALA 571   5.596 -16.096  11.232
   95   1HB   ALA 571          1HB       ALA 571   3.695 -17.795  12.164
   96   2HB   ALA 571          2HB       ALA 571   3.421 -16.412  13.224
   97   3HB   ALA 571          3HB       ALA 571   5.010 -17.175  13.164
   98    H    ASP 572           H        ASP 572   2.020 -16.236  11.257
   99    HA   ASP 572           HA       ASP 572   2.024 -17.371   8.561
  100   1HB   ASP 572          1HB       ASP 572  -0.349 -16.398  10.178
  101   2HB   ASP 572          2HB       ASP 572  -0.368 -17.543   8.836
  102    H    ARG 573           H        ARG 573   2.095 -14.233   9.846
  103    HA   ARG 573           HA       ARG 573   1.452 -13.129   7.168
  104   1HB   ARG 573          1HB       ARG 573   0.399 -11.287   9.075
  105   2HB   ARG 573          2HB       ARG 573  -0.475 -12.162   7.821
  106   1HG   ARG 573          1HG       ARG 573  -0.973 -13.972   9.288
  107   2HG   ARG 573          2HG       ARG 573   0.204 -13.426  10.482
  108   1HD   ARG 573          1HD       ARG 573  -2.029 -11.581   9.717
  109   2HD   ARG 573          2HD       ARG 573  -2.371 -12.916  10.817
  110    HE   ARG 573           HE       ARG 573  -0.093 -11.121  11.462
  111   1HH1  ARG 573          1HH1      ARG 573  -1.859 -13.282  13.028
  112   2HH1  ARG 573          2HH1      ARG 573  -2.575 -12.226  14.198
  113   1HH2  ARG 573          1HH2      ARG 573  -1.623  -9.325  12.553
  114   2HH2  ARG 573          2HH2      ARG 573  -2.442  -9.984  13.929
  115    H    PHE 574           H        PHE 574   2.617 -11.224   6.710
  116    HA   PHE 574           HA       PHE 574   4.663 -10.513   8.772
  117   1HB   PHE 574          1HB       PHE 574   6.100  -9.828   6.924
  118   2HB   PHE 574          2HB       PHE 574   5.534 -11.473   6.631
  119    HD1  PHE 574           HD1      PHE 574   3.785 -11.927   4.950
  120    HD2  PHE 574           HD2      PHE 574   5.348  -7.972   5.557
  121    HE1  PHE 574           HE1      PHE 574   2.793 -11.204   2.795
  122    HE2  PHE 574           HE2      PHE 574   4.354  -7.249   3.403
  123    HZ   PHE 574           HZ       PHE 574   3.077  -8.864   2.022
  124    H    ASN 575           H        ASN 575   5.282  -8.205   8.849
  125    HA   ASN 575           HA       ASN 575   2.995  -6.441   8.057
  126   1HB   ASN 575          1HB       ASN 575   3.717  -6.901  10.592
  127   2HB   ASN 575          2HB       ASN 575   4.886  -5.632  10.221
  128   2HD2  ASN 575          2HD2      ASN 575   3.236  -4.679  12.031
  129   1HD2  ASN 575          1HD2      ASN 575   1.971  -3.749  11.386
  130    H    VAL 576           H        VAL 576   3.753  -4.077   7.844
  131    HA   VAL 576           HA       VAL 576   6.549  -3.783   6.945
  132    HB   VAL 576           HB       VAL 576   4.365  -2.947   5.056
  133   1HG1  VAL 576          1HG1      VAL 576   6.748  -2.109   4.879
  134   2HG1  VAL 576          2HG1      VAL 576   7.227  -3.772   4.544
  135   3HG1  VAL 576          3HG1      VAL 576   6.138  -2.929   3.442
  136   1HG2  VAL 576          1HG2      VAL 576   4.174  -5.420   5.526
  137   2HG2  VAL 576          2HG2      VAL 576   4.588  -5.042   3.854
  138   3HG2  VAL 576          3HG2      VAL 576   5.840  -5.594   4.968
  139    H    THR 577           H        THR 577   7.104  -1.522   6.652
  140    HA   THR 577           HA       THR 577   5.157   0.343   7.944
  141    HB   THR 577           HB       THR 577   8.167   0.183   8.241
  142    HG1  THR 577           HG1      THR 577   7.320  -1.058   9.759
  143   1HG2  THR 577          1HG2      THR 577   6.454   2.487   8.298
  144   2HG2  THR 577          2HG2      THR 577   7.049   2.172   9.928
  145   3HG2  THR 577          3HG2      THR 577   8.188   2.400   8.600
  146    H    TYR 578           H        TYR 578   4.390   1.460   6.170
  147    HA   TYR 578           HA       TYR 578   6.263   2.289   4.045
  148   1HB   TYR 578          1HB       TYR 578   3.278   2.705   4.389
  149   2HB   TYR 578          2HB       TYR 578   4.202   3.220   2.978
  150    HD1  TYR 578           HD1      TYR 578   2.914   0.324   4.861
  151    HD2  TYR 578           HD2      TYR 578   5.106   1.598   1.393
  152    HE1  TYR 578           HE1      TYR 578   2.715  -1.953   3.898
  153    HE2  TYR 578           HE2      TYR 578   4.908  -0.677   0.432
  154    HH   TYR 578           HH       TYR 578   4.574  -3.055   1.391
  155    H    SER 579           H        SER 579   7.099   4.335   3.871
  156    HA   SER 579           HA       SER 579   6.146   6.349   5.869
  157   1HB   SER 579          1HB       SER 579   8.866   5.685   4.792
  158   2HB   SER 579          2HB       SER 579   8.532   7.330   5.324
  159    HG   SER 579           HG       SER 579   9.110   5.221   6.804
  160    H    VAL 580           H        VAL 580   5.820   8.484   5.147
  161    HA   VAL 580           HA       VAL 580   5.980   8.908   2.193
  162    HB   VAL 580           HB       VAL 580   3.724   9.537   4.105
  163   1HG1  VAL 580          1HG1      VAL 580   4.296  11.501   2.612
  164   2HG1  VAL 580          2HG1      VAL 580   3.950  10.461   1.231
  165   3HG1  VAL 580          3HG1      VAL 580   2.673  10.848   2.386
  166   1HG2  VAL 580          1HG2      VAL 580   4.235   7.688   1.852
  167   2HG2  VAL 580          2HG2      VAL 580   3.170   7.501   3.245
  168   3HG2  VAL 580          3HG2      VAL 580   2.649   8.462   1.860
  169    H    SER 581           H        SER 581   6.238  11.176   1.578
  170    HA   SER 581           HA       SER 581   7.585  12.743   3.729
  171   1HB   SER 581          1HB       SER 581   7.679  13.236   0.743
  172   2HB   SER 581          2HB       SER 581   8.735  13.922   1.972
  173    HG   SER 581           HG       SER 581   8.506  11.132   1.666
  174    H    GLY 582           H        GLY 582   4.830  12.763   3.883
  175   1HA   GLY 582          1HA       GLY 582   4.205  15.539   3.796
  176   2HA   GLY 582          2HA       GLY 582   3.017  14.247   3.988
  177    H    SER 583           H        SER 583   3.341  12.886   1.569
  178    HA   SER 583           HA       SER 583   3.552  14.266  -0.819
  179   1HB   SER 583          1HB       SER 583   1.417  12.777  -1.447
  180   2HB   SER 583          2HB       SER 583   3.005  12.059  -1.194
  181    HG   SER 583           HG       SER 583   0.977  12.375   0.774
  182    H    SER 584           H        SER 584   1.029  14.592   1.590
  183    HA   SER 584           HA       SER 584  -0.549  16.335   1.812
  184   1HB   SER 584          1HB       SER 584   1.275  17.599   0.390
  185   2HB   SER 584          2HB       SER 584   0.130  17.363  -0.927
  186    HG   SER 584           HG       SER 584  -0.397  19.273   0.058
  187    H    SER 585           H        SER 585  -0.452  13.928  -0.473
  188    HA   SER 585           HA       SER 585  -3.350  14.013  -0.830
  189   1HB   SER 585          1HB       SER 585  -1.563  14.207  -3.274
  190   2HB   SER 585          2HB       SER 585  -3.320  14.080  -3.272
  191    HG   SER 585           HG       SER 585  -1.860  16.262  -3.146
  192    H    TRP 586           H        TRP 586  -3.390  11.932   0.068
  193    HA   TRP 586           HA       TRP 586  -1.579   9.842  -0.741
  194   1HB   TRP 586          1HB       TRP 586  -4.023  10.029   0.936
  195   2HB   TRP 586          2HB       TRP 586  -3.636   8.440   0.275
  196    HD1  TRP 586           HD1      TRP 586  -2.684  10.780   3.003
  197    HE1  TRP 586           HE1      TRP 586  -0.619   9.861   4.254
  198    HE3  TRP 586           HE3      TRP 586  -1.252   7.081  -0.202
  199    HZ2  TRP 586           HZ2      TRP 586   1.351   7.850   3.953
  200    HZ3  TRP 586           HZ3      TRP 586   0.722   5.672   0.306
  201    HH2  TRP 586           HH2      TRP 586   2.030   6.052   2.378
  202    H    VAL 587           H        VAL 587  -1.618   8.680  -2.551
  203    HA   VAL 587           HA       VAL 587  -4.123   7.822  -3.778
  204    HB   VAL 587           HB       VAL 587  -2.260   9.562  -5.417
  205   1HG1  VAL 587          1HG1      VAL 587  -4.520   7.791  -5.970
  206   2HG1  VAL 587          2HG1      VAL 587  -4.781   9.422  -6.589
  207   3HG1  VAL 587          3HG1      VAL 587  -3.358   8.506  -7.089
  208   1HG2  VAL 587          1HG2      VAL 587  -4.937  10.214  -4.142
  209   2HG2  VAL 587          2HG2      VAL 587  -3.387  10.968  -3.767
  210   3HG2  VAL 587          3HG2      VAL 587  -4.132  11.222  -5.344
  211    H    VAL 588           H        VAL 588  -1.676   6.648  -2.614
  212    HA   VAL 588           HA       VAL 588  -0.098   5.596  -4.842
  213    HB   VAL 588           HB       VAL 588   0.954   5.779  -2.631
  214   1HG1  VAL 588          1HG1      VAL 588  -1.370   4.001  -1.863
  215   2HG1  VAL 588          2HG1      VAL 588   0.079   4.128  -0.863
  216   3HG1  VAL 588          3HG1      VAL 588  -0.913   5.554  -1.163
  217   1HG2  VAL 588          1HG2      VAL 588   0.937   3.478  -4.267
  218   2HG2  VAL 588          2HG2      VAL 588   2.142   3.886  -3.042
  219   3HG2  VAL 588          3HG2      VAL 588   0.764   2.868  -2.620
  220    H    THR 589           H        THR 589  -0.186   3.488  -5.635
  221    HA   THR 589           HA       THR 589  -2.692   2.024  -4.957
  222    HB   THR 589           HB       THR 589  -1.055   1.822  -7.505
  223    HG1  THR 589           HG1      THR 589  -2.056   3.578  -8.013
  224   1HG2  THR 589          1HG2      THR 589  -3.248   0.295  -6.365
  225   2HG2  THR 589          2HG2      THR 589  -3.697   0.997  -7.921
  226   3HG2  THR 589          3HG2      THR 589  -2.278  -0.044  -7.799
  227    H    LEU 590           H        LEU 590  -2.276   0.298  -3.676
  228    HA   LEU 590           HA       LEU 590   0.418  -0.817  -3.486
  229   1HB   LEU 590          1HB       LEU 590  -2.218  -1.338  -2.138
  230   2HB   LEU 590          2HB       LEU 590  -0.912  -2.514  -1.983
  231    HG   LEU 590           HG       LEU 590   0.251   0.037  -1.574
  232   1HD1  LEU 590          1HD1      LEU 590  -2.300   0.541  -1.140
  233   2HD1  LEU 590          2HD1      LEU 590  -2.004  -0.306   0.379
  234   3HD1  LEU 590          3HD1      LEU 590  -1.083   1.146  -0.016
  235   1HD2  LEU 590          1HD2      LEU 590   0.067  -2.532  -0.343
  236   2HD2  LEU 590          2HD2      LEU 590   1.252  -1.265  -0.031
  237   3HD2  LEU 590          3HD2      LEU 590  -0.243  -1.322   0.901
  238    H    GLY 591           H        GLY 591   1.175  -2.500  -4.668
  239   1HA   GLY 591          1HA       GLY 591   0.883  -3.831  -6.721
  240   2HA   GLY 591          2HA       GLY 591  -0.807  -4.064  -6.269
  241    H    LEU 592           H        LEU 592  -1.200  -5.401  -4.301
  242    HA   LEU 592           HA       LEU 592   0.878  -6.921  -3.061
  243   1HB   LEU 592          1HB       LEU 592  -1.913  -7.990  -3.272
  244   2HB   LEU 592          2HB       LEU 592  -0.822  -7.969  -1.895
  245    HG   LEU 592           HG       LEU 592  -2.489  -5.710  -2.981
  246   1HD1  LEU 592          1HD1      LEU 592  -3.205  -7.394  -1.133
  247   2HD1  LEU 592          2HD1      LEU 592  -2.061  -6.523  -0.111
  248   3HD1  LEU 592          3HD1      LEU 592  -3.430  -5.672  -0.825
  249   1HD2  LEU 592          1HD2      LEU 592   0.122  -5.614  -1.537
  250   2HD2  LEU 592          2HD2      LEU 592  -0.574  -4.459  -2.672
  251   3HD2  LEU 592          3HD2      LEU 592  -1.134  -4.499  -1.000
  252    H    ASN 593           H        ASN 593   0.322  -9.550  -3.191
  253    HA   ASN 593           HA       ASN 593   1.062 -10.216  -5.975
  254   1HB   ASN 593          1HB       ASN 593   0.910 -12.019  -3.541
  255   2HB   ASN 593          2HB       ASN 593   1.686 -12.392  -5.081
  256   2HD2  ASN 593          2HD2      ASN 593   3.655 -12.669  -3.548
  257   1HD2  ASN 593          1HD2      ASN 593   4.567 -11.280  -3.206
  258    H    GLY 594           H        GLY 594   0.080 -12.840  -6.116
  259   1HA   GLY 594          1HA       GLY 594  -1.888 -13.683  -7.196
  260   2HA   GLY 594          2HA       GLY 594  -2.780 -12.278  -6.611
  261    H    GLY 595           H        GLY 595  -2.982 -12.233  -4.111
  262   1HA   GLY 595          1HA       GLY 595  -3.015 -14.912  -2.870
  263   2HA   GLY 595          2HA       GLY 595  -4.585 -14.129  -3.067
  264    H    GLN 596           H        GLN 596  -1.666 -12.286  -2.449
  265    HA   GLN 596           HA       GLN 596  -1.811 -12.190   0.399
  266   1HB   GLN 596          1HB       GLN 596  -0.622 -10.416  -1.714
  267   2HB   GLN 596          2HB       GLN 596  -0.676  -9.855  -0.043
  268   1HG   GLN 596          1HG       GLN 596   0.336 -12.193   0.523
  269   2HG   GLN 596          2HG       GLN 596   0.774 -12.232  -1.186
  270   2HE2  GLN 596          2HE2      GLN 596   1.120  -9.232  -1.259
  271   1HE2  GLN 596          1HE2      GLN 596   2.594  -8.937  -0.471
  272    H    SER 597           H        SER 597  -3.124 -11.028   1.758
  273    HA   SER 597           HA       SER 597  -4.911  -8.975   0.520
  274   1HB   SER 597          1HB       SER 597  -6.430  -9.925   2.570
  275   2HB   SER 597          2HB       SER 597  -6.558 -10.504   0.912
  276    HG   SER 597           HG       SER 597  -6.259 -12.188   2.478
  277    H    VAL 598           H        VAL 598  -5.744  -7.399   2.158
  278    HA   VAL 598           HA       VAL 598  -3.582  -6.676   4.019
  279    HB   VAL 598           HB       VAL 598  -6.169  -5.313   3.227
  280   1HG1  VAL 598          1HG1      VAL 598  -3.996  -4.407   5.140
  281   2HG1  VAL 598          2HG1      VAL 598  -5.287  -3.374   4.528
  282   3HG1  VAL 598          3HG1      VAL 598  -5.675  -4.755   5.553
  283   1HG2  VAL 598          1HG2      VAL 598  -4.355  -5.325   1.542
  284   2HG2  VAL 598          2HG2      VAL 598  -4.625  -3.700   2.174
  285   3HG2  VAL 598          3HG2      VAL 598  -3.248  -4.647   2.736
  286    H    GLN 599           H        GLN 599  -3.620  -7.200   6.151
  287    HA   GLN 599           HA       GLN 599  -6.067  -8.437   7.257
  288   1HB   GLN 599          1HB       GLN 599  -3.997  -9.610   7.701
  289   2HB   GLN 599          2HB       GLN 599  -3.251  -8.145   8.340
  290   1HG   GLN 599          1HG       GLN 599  -5.806  -9.042   9.596
  291   2HG   GLN 599          2HG       GLN 599  -4.353  -9.979   9.950
  292   2HE2  GLN 599          2HE2      GLN 599  -5.735  -8.319  11.914
  293   1HE2  GLN 599          1HE2      GLN 599  -4.664  -7.082  12.370
  294    H    SER 600           H        SER 600  -3.891  -5.694   7.947
  295    HA   SER 600           HA       SER 600  -6.111  -4.161   9.045
  296   1HB   SER 600          1HB       SER 600  -5.430  -4.044  11.316
  297   2HB   SER 600          2HB       SER 600  -5.352  -5.758  10.918
  298    HG   SER 600           HG       SER 600  -3.451  -5.096  11.953
  299    H    SER 601           H        SER 601  -5.225  -1.997   9.918
  300    HA   SER 601           HA       SER 601  -2.532  -1.249   9.073
  301   1HB   SER 601          1HB       SER 601  -3.636   0.599   7.541
  302   2HB   SER 601          2HB       SER 601  -3.316  -1.008   6.895
  303    HG   SER 601           HG       SER 601  -5.690   0.262   7.397
  304    H    TRP 602           H        TRP 602  -2.181   1.144   9.503
  305    HA   TRP 602           HA       TRP 602  -4.213   2.495  11.126
  306   1HB   TRP 602          1HB       TRP 602  -2.973   2.547  13.188
  307   2HB   TRP 602          2HB       TRP 602  -3.077   0.856  12.695
  308    HD1  TRP 602           HD1      TRP 602  -0.622   3.782  12.882
  309    HE1  TRP 602           HE1      TRP 602   1.770   2.870  12.693
  310    HE3  TRP 602           HE3      TRP 602  -1.632  -1.108  11.815
  311    HZ2  TRP 602           HZ2      TRP 602   3.095   0.388  12.159
  312    HZ3  TRP 602           HZ3      TRP 602   0.216  -2.724  11.471
  313    HH2  TRP 602           HH2      TRP 602   2.575  -1.983  11.641
  314    H    ASN 603           H        ASN 603  -3.505   4.699  11.710
  315    HA   ASN 603           HA       ASN 603  -2.282   6.685  11.361
  316   1HB   ASN 603          1HB       ASN 603  -0.333   4.647  11.090
  317   2HB   ASN 603          2HB       ASN 603  -0.128   5.723   9.707
  318   2HD2  ASN 603          2HD2      ASN 603  -0.711   8.223  10.708
  319   1HD2  ASN 603          1HD2      ASN 603   0.324   8.614  11.996
  320    H    ALA 604           H        ALA 604  -4.153   5.255   9.395
  321    HA   ALA 604           HA       ALA 604  -4.431   7.199   7.445
  322   1HB   ALA 604          1HB       ALA 604  -2.315   5.180   6.720
  323   2HB   ALA 604          2HB       ALA 604  -3.288   5.947   5.464
  324   3HB   ALA 604          3HB       ALA 604  -2.282   6.933   6.526
  325    H    ALA 605           H        ALA 605  -5.626   6.331   5.435
  326    HA   ALA 605           HA       ALA 605  -7.183   3.914   6.252
  327   1HB   ALA 605          1HB       ALA 605  -8.989   5.216   5.919
  328   2HB   ALA 605          2HB       ALA 605  -8.558   5.310   4.212
  329   3HB   ALA 605          3HB       ALA 605  -7.973   6.535   5.338
  330    H    LEU 606           H        LEU 606  -8.174   2.795   4.210
  331    HA   LEU 606           HA       LEU 606  -6.429   2.931   1.835
  332   1HB   LEU 606          1HB       LEU 606  -5.781   0.592   1.929
  333   2HB   LEU 606          2HB       LEU 606  -5.287   1.369   3.433
  334    HG   LEU 606           HG       LEU 606  -7.780   0.581   4.133
  335   1HD1  LEU 606          1HD1      LEU 606  -8.029  -0.508   1.849
  336   2HD1  LEU 606          2HD1      LEU 606  -6.769  -1.642   2.335
  337   3HD1  LEU 606          3HD1      LEU 606  -8.294  -1.588   3.218
  338   1HD2  LEU 606          1HD2      LEU 606  -5.212  -1.038   4.203
  339   2HD2  LEU 606          2HD2      LEU 606  -5.799   0.075   5.439
  340   3HD2  LEU 606          3HD2      LEU 606  -6.648  -1.443   5.143
  341    H    THR 607           H        THR 607  -7.361   1.771   0.016
  342    HA   THR 607           HA       THR 607 -10.240   1.068   0.436
  343    HB   THR 607           HB       THR 607  -9.106   2.114  -2.159
  344    HG1  THR 607           HG1      THR 607 -10.013   4.148  -1.387
  345   1HG2  THR 607          1HG2      THR 607 -11.774   1.521  -0.994
  346   2HG2  THR 607          2HG2      THR 607 -11.662   2.959  -2.008
  347   3HG2  THR 607          3HG2      THR 607 -11.217   1.381  -2.661
  348    H    GLY 608           H        GLY 608 -10.331  -1.133   0.322
  349   1HA   GLY 608          1HA       GLY 608  -8.839  -2.450  -1.914
  350   2HA   GLY 608          2HA       GLY 608 -10.430  -2.982  -1.369
  351    H    SER 609           H        SER 609  -8.789  -4.999  -1.306
  352    HA   SER 609           HA       SER 609  -7.221  -5.103   1.181
  353   1HB   SER 609          1HB       SER 609  -9.385  -7.163   0.921
  354   2HB   SER 609          2HB       SER 609  -8.543  -6.608   2.365
  355    HG   SER 609           HG       SER 609  -9.740  -4.761   2.346
  356    H    SER 610           H        SER 610  -7.068  -5.590  -1.854
  357    HA   SER 610           HA       SER 610  -5.061  -7.491  -1.964
  358   1HB   SER 610          1HB       SER 610  -6.459  -9.494  -2.877
  359   2HB   SER 610          2HB       SER 610  -6.355  -9.268  -1.132
  360    HG   SER 610           HG       SER 610  -8.417  -8.886  -1.101
  361    H    GLY 611           H        GLY 611  -4.212  -6.864  -3.883
  362   1HA   GLY 611          1HA       GLY 611  -6.079  -6.559  -6.201
  363   2HA   GLY 611          2HA       GLY 611  -4.408  -7.102  -6.357
  364    H    THR 612           H        THR 612  -6.499  -4.354  -6.113
  365    HA   THR 612           HA       THR 612  -4.104  -2.561  -6.213
  366    HB   THR 612           HB       THR 612  -6.728  -2.295  -7.715
  367    HG1  THR 612           HG1      THR 612  -4.117  -2.544  -8.753
  368   1HG2  THR 612          1HG2      THR 612  -4.967  -0.290  -6.836
  369   2HG2  THR 612          2HG2      THR 612  -4.581  -0.535  -8.538
  370   3HG2  THR 612          3HG2      THR 612  -6.229  -0.129  -8.056
  371    H    VAL 613           H        VAL 613  -4.136  -1.734  -4.130
  372    HA   VAL 613           HA       VAL 613  -6.731  -0.686  -3.112
  373    HB   VAL 613           HB       VAL 613  -4.257  -1.800  -1.860
  374   1HG1  VAL 613          1HG1      VAL 613  -4.379   0.513  -0.970
  375   2HG1  VAL 613          2HG1      VAL 613  -6.033   0.204  -0.444
  376   3HG1  VAL 613          3HG1      VAL 613  -4.697  -0.699   0.271
  377   1HG2  VAL 613          1HG2      VAL 613  -6.516  -2.964  -2.124
  378   2HG2  VAL 613          2HG2      VAL 613  -5.841  -2.956  -0.494
  379   3HG2  VAL 613          3HG2      VAL 613  -7.132  -1.832  -0.920
  380    H    THR 614           H        THR 614  -6.514   1.440  -1.885
  381    HA   THR 614           HA       THR 614  -4.299   3.135  -2.916
  382    HB   THR 614           HB       THR 614  -7.181   4.049  -2.979
  383    HG1  THR 614           HG1      THR 614  -7.231   3.478  -5.079
  384   1HG2  THR 614          1HG2      THR 614  -4.568   5.252  -3.460
  385   2HG2  THR 614          2HG2      THR 614  -5.640   5.424  -4.850
  386   3HG2  THR 614          3HG2      THR 614  -6.139   6.029  -3.270
  387    H    ALA 615           H        ALA 615  -3.580   4.623  -1.407
  388    HA   ALA 615           HA       ALA 615  -4.689   4.395   1.300
  389   1HB   ALA 615          1HB       ALA 615  -2.860   6.551   1.222
  390   2HB   ALA 615          2HB       ALA 615  -2.553   4.912   1.795
  391   3HB   ALA 615          3HB       ALA 615  -2.226   5.332   0.115
  392    H    ARG 616           H        ARG 616  -5.986   5.878   2.335
  393    HA   ARG 616           HA       ARG 616  -6.842   8.239   0.716
  394   1HB   ARG 616          1HB       ARG 616  -8.530   6.378   1.325
  395   2HB   ARG 616          2HB       ARG 616  -8.428   7.006   2.969
  396   1HG   ARG 616          1HG       ARG 616  -9.116   9.226   2.194
  397   2HG   ARG 616          2HG       ARG 616  -9.154   8.650   0.527
  398   1HD   ARG 616          1HD       ARG 616 -11.414   8.705   1.638
  399   2HD   ARG 616          2HD       ARG 616 -10.955   7.115   1.029
  400    HE   ARG 616           HE       ARG 616 -10.122   7.343   3.755
  401   1HH1  ARG 616          1HH1      ARG 616 -12.512   6.205   1.645
  402   2HH1  ARG 616          2HH1      ARG 616 -13.649   5.804   2.890
  403   1HH2  ARG 616          1HH2      ARG 616 -11.762   7.214   5.435
  404   2HH2  ARG 616          2HH2      ARG 616 -13.225   6.376   5.035
  405    HA   PRO 617           HA       PRO 617  -5.150  10.677   3.997
  406   1HB   PRO 617          1HB       PRO 617  -6.276  13.071   3.248
  407   2HB   PRO 617          2HB       PRO 617  -4.880  12.348   2.431
  408   1HG   PRO 617          1HG       PRO 617  -7.716  12.501   1.519
  409   2HG   PRO 617          2HG       PRO 617  -6.232  12.395   0.557
  410   1HD   PRO 617          1HD       PRO 617  -8.004  10.261   1.103
  411   2HD   PRO 617          2HD       PRO 617  -6.360  10.111   0.445
  412    H    ASN 618           H        ASN 618  -5.861  11.224   6.062
  413    HA   ASN 618           HA       ASN 618  -8.823  11.347   6.469
  414   1HB   ASN 618          1HB       ASN 618  -6.680  10.443   8.418
  415   2HB   ASN 618          2HB       ASN 618  -8.418  10.450   8.720
  416   2HD2  ASN 618          2HD2      ASN 618  -9.699   9.187   6.867
  417   1HD2  ASN 618          1HD2      ASN 618  -9.014   7.706   6.401
  418    H    GLY 619           H        GLY 619  -5.922  13.098   6.645
  419   1HA   GLY 619          1HA       GLY 619  -7.101  15.001   8.624
  420   2HA   GLY 619          2HA       GLY 619  -6.477  15.581   7.080
  421    H    SER 620           H        SER 620  -4.582  13.007   7.996
  422    HA   SER 620           HA       SER 620  -2.202  14.405   8.325
  423   1HB   SER 620          1HB       SER 620  -3.893  14.513  10.729
  424   2HB   SER 620          2HB       SER 620  -2.266  13.918  11.038
  425    HG   SER 620           HG       SER 620  -3.069  16.414  10.595
  426    H    GLY 621           H        GLY 621  -0.692  12.831   8.072
  427   1HA   GLY 621          1HA       GLY 621  -1.440  10.040   8.702
  428   2HA   GLY 621          2HA       GLY 621   0.002  10.671   9.499
  429    H    ASN 622           H        ASN 622   1.881  10.360   8.403
  430    HA   ASN 622           HA       ASN 622   1.722  10.037   5.432
  431   1HB   ASN 622          1HB       ASN 622   3.967  11.096   7.174
  432   2HB   ASN 622          2HB       ASN 622   4.130  10.767   5.449
  433   2HD2  ASN 622          2HD2      ASN 622   1.655  11.709   4.475
  434   1HD2  ASN 622          1HD2      ASN 622   1.541  13.379   4.755
  435    H    SER 623           H        SER 623   2.593   8.569   8.421
  436    HA   SER 623           HA       SER 623   3.951   6.359   6.929
  437   1HB   SER 623          1HB       SER 623   4.253   7.139   9.847
  438   2HB   SER 623          2HB       SER 623   5.088   5.810   9.045
  439    HG   SER 623           HG       SER 623   5.216   8.449   8.051
  440    H    PHE 624           H        PHE 624   2.476   4.748   6.647
  441    HA   PHE 624           HA       PHE 624   0.710   4.088   8.971
  442   1HB   PHE 624          1HB       PHE 624  -1.061   3.518   7.463
  443   2HB   PHE 624          2HB       PHE 624  -0.452   5.086   6.932
  444    HD1  PHE 624           HD1      PHE 624   1.081   5.235   4.962
  445    HD2  PHE 624           HD2      PHE 624  -0.826   1.558   6.101
  446    HE1  PHE 624           HE1      PHE 624   1.584   4.279   2.726
  447    HE2  PHE 624           HE2      PHE 624  -0.321   0.604   3.868
  448    HZ   PHE 624           HZ       PHE 624   0.884   1.965   2.182
  449    H    GLY 625           H        GLY 625   0.540   1.902   9.498
  450   1HA   GLY 625          1HA       GLY 625   1.879  -0.125   9.749
  451   2HA   GLY 625          2HA       GLY 625   2.484   0.118   8.110
  452    H    VAL 626           H        VAL 626   1.799  -2.058   7.553
  453    HA   VAL 626           HA       VAL 626  -1.099  -2.628   7.667
  454    HB   VAL 626           HB       VAL 626   0.418  -2.495   5.042
  455   1HG1  VAL 626          1HG1      VAL 626  -1.303  -4.303   5.219
  456   2HG1  VAL 626          2HG1      VAL 626  -2.506  -3.073   5.605
  457   3HG1  VAL 626          3HG1      VAL 626  -1.719  -3.072   4.026
  458   1HG2  VAL 626          1HG2      VAL 626  -1.535  -0.669   6.420
  459   2HG2  VAL 626          2HG2      VAL 626  -0.069  -0.258   5.529
  460   3HG2  VAL 626          3HG2      VAL 626  -1.521  -0.756   4.659
  461    H    THR 627           H        THR 627  -1.508  -4.839   7.661
  462    HA   THR 627           HA       THR 627   0.907  -6.584   7.647
  463    HB   THR 627           HB       THR 627  -1.869  -6.958   8.803
  464    HG1  THR 627           HG1      THR 627  -0.352  -7.256  10.687
  465   1HG2  THR 627          1HG2      THR 627   0.451  -8.887   8.573
  466   2HG2  THR 627          2HG2      THR 627  -0.882  -9.108   9.707
  467   3HG2  THR 627          3HG2      THR 627  -1.192  -9.108   7.971
  468    H    PHE 628           H        PHE 628   0.523  -8.825   6.703
  469    HA   PHE 628           HA       PHE 628  -1.508  -8.852   4.537
  470   1HB   PHE 628          1HB       PHE 628   1.460  -9.300   4.090
  471   2HB   PHE 628          2HB       PHE 628   0.201  -9.544   2.880
  472    HD1  PHE 628           HD1      PHE 628  -1.130  -7.612   2.040
  473    HD2  PHE 628           HD2      PHE 628   2.212  -7.092   4.689
  474    HE1  PHE 628           HE1      PHE 628  -1.047  -5.201   1.464
  475    HE2  PHE 628           HE2      PHE 628   2.294  -4.681   4.114
  476    HZ   PHE 628           HZ       PHE 628   0.665  -3.735   2.501
  477    H    TYR 629           H        TYR 629  -2.493 -10.809   4.553
  478    HA   TYR 629           HA       TYR 629  -1.389 -12.985   6.173
  479   1HB   TYR 629          1HB       TYR 629  -3.947 -12.454   4.718
  480   2HB   TYR 629          2HB       TYR 629  -3.522 -14.133   5.049
  481    HD1  TYR 629           HD1      TYR 629  -2.676 -14.615   7.513
  482    HD2  TYR 629           HD2      TYR 629  -5.065 -11.236   6.364
  483    HE1  TYR 629           HE1      TYR 629  -3.420 -14.342   9.863
  484    HE2  TYR 629           HE2      TYR 629  -5.809 -10.963   8.714
  485    HH   TYR 629           HH       TYR 629  -4.562 -11.775  11.141
  486    H    LYS 630           H        LYS 630  -0.147 -14.621   5.382
  487    HA   LYS 630           HA       LYS 630  -0.489 -15.940   2.926
  488   1HB   LYS 630          1HB       LYS 630   0.589 -14.749   1.327
  489   2HB   LYS 630          2HB       LYS 630   0.462 -13.388   2.434
  490   1HG   LYS 630          1HG       LYS 630   2.754 -13.435   1.915
  491   2HG   LYS 630          2HG       LYS 630   2.682 -14.304   3.449
  492   1HD   LYS 630          1HD       LYS 630   3.882 -15.860   2.266
  493   2HD   LYS 630          2HD       LYS 630   2.270 -16.368   1.766
  494   1HE   LYS 630          1HE       LYS 630   3.129 -14.196   0.090
  495   2HE   LYS 630          2HE       LYS 630   4.376 -15.441   0.107
  496   1HZ   LYS 630          1HZ       LYS 630   1.603 -16.316  -0.153
  497   2HZ   LYS 630          2HZ       LYS 630   2.310 -15.561  -1.502
  498   3HZ   LYS 630          3HZ       LYS 630   3.012 -16.961  -0.843
  499    H    ASN 631           H        ASN 631   1.706 -14.880   5.447
  500    HA   ASN 631           HA       ASN 631   3.083 -16.253   6.794
  501   1HB   ASN 631          1HB       ASN 631   2.868 -18.461   4.756
  502   2HB   ASN 631          2HB       ASN 631   3.177 -18.585   6.488
  503   2HD2  ASN 631          2HD2      ASN 631   0.794 -19.216   4.309
  504   1HD2  ASN 631          1HD2      ASN 631  -0.574 -18.945   5.276
  505    H    GLY 632           H        GLY 632   4.012 -14.429   4.810
  506   1HA   GLY 632          1HA       GLY 632   6.730 -14.806   4.744
  507   2HA   GLY 632          2HA       GLY 632   5.887 -13.953   3.452
  508    H    SER 633           H        SER 633   5.569 -15.014   1.477
  509    HA   SER 633           HA       SER 633   7.270 -17.365   1.029
  510   1HB   SER 633          1HB       SER 633   4.260 -17.481   0.793
  511   2HB   SER 633          2HB       SER 633   5.304 -18.571  -0.113
  512    HG   SER 633           HG       SER 633   5.725 -19.619   1.666
  513    H    SER 634           H        SER 634   7.469 -14.734   0.061
  514    HA   SER 634           HA       SER 634   7.858 -15.077  -2.691
  515   1HB   SER 634          1HB       SER 634   5.112 -14.962  -2.156
  516   2HB   SER 634          2HB       SER 634   5.515 -13.346  -2.729
  517    HG   SER 634           HG       SER 634   5.196 -15.532  -4.155
  518    H    ALA 635           H        ALA 635   6.926 -12.420  -3.534
  519    HA   ALA 635           HA       ALA 635   9.001 -10.847  -2.139
  520   1HB   ALA 635          1HB       ALA 635   7.302 -10.242  -4.576
  521   2HB   ALA 635          2HB       ALA 635   8.992 -10.750  -4.572
  522   3HB   ALA 635          3HB       ALA 635   8.545  -9.168  -3.933
  523    H    THR 636           H        THR 636   8.526  -9.285  -0.666
  524    HA   THR 636           HA       THR 636   6.015  -9.007   0.530
  525    HB   THR 636           HB       THR 636   7.320  -6.497   0.774
  526    HG1  THR 636           HG1      THR 636   9.409  -7.050   1.063
  527   1HG2  THR 636          1HG2      THR 636   6.166  -8.256   2.421
  528   2HG2  THR 636          2HG2      THR 636   7.848  -8.707   2.703
  529   3HG2  THR 636          3HG2      THR 636   7.316  -7.054   3.007
  530    HA   PRO 637           HA       PRO 637   3.747  -6.189  -1.972
  531   1HB   PRO 637          1HB       PRO 637   2.782  -4.355  -0.165
  532   2HB   PRO 637          2HB       PRO 637   2.180  -6.017  -0.287
  533   1HG   PRO 637          1HG       PRO 637   3.942  -4.808   1.790
  534   2HG   PRO 637          2HG       PRO 637   2.851  -6.198   1.915
  535   1HD   PRO 637          1HD       PRO 637   5.669  -6.310   1.624
  536   2HD   PRO 637          2HD       PRO 637   4.541  -7.673   1.448
  537    H    GLY 638           H        GLY 638   3.504  -3.778  -2.607
  538   1HA   GLY 638          1HA       GLY 638   5.687  -2.553  -3.553
  539   2HA   GLY 638          2HA       GLY 638   5.833  -2.113  -1.853
  540    H    ALA 639           H        ALA 639   5.359   0.071  -1.960
  541    HA   ALA 639           HA       ALA 639   2.567   0.767  -2.667
  542   1HB   ALA 639          1HB       ALA 639   3.732   1.492  -0.487
  543   2HB   ALA 639          2HB       ALA 639   4.639   2.624  -1.491
  544   3HB   ALA 639          3HB       ALA 639   2.882   2.744  -1.393
  545    H    THR 640           H        THR 640   2.081   1.910  -4.483
  546    HA   THR 640           HA       THR 640   4.335   2.685  -6.256
  547    HB   THR 640           HB       THR 640   1.509   2.936  -7.075
  548    HG1  THR 640           HG1      THR 640   1.482   0.672  -7.498
  549   1HG2  THR 640          1HG2      THR 640   3.417   3.456  -8.585
  550   2HG2  THR 640          2HG2      THR 640   3.952   1.782  -8.439
  551   3HG2  THR 640          3HG2      THR 640   2.406   2.151  -9.205
  552    H    CYS 641           H        CYS 641   4.594   4.742  -7.016
  553    HA   CYS 641           HA       CYS 641   2.658   6.862  -6.536
  554   1HB   CYS 641          1HB       CYS 641   5.029   6.518  -4.768
  555   2HB   CYS 641          2HB       CYS 641   4.667   8.157  -5.300
  556    H    ALA 642           H        ALA 642   2.921   6.989  -8.856
  557    HA   ALA 642           HA       ALA 642   5.102   8.779  -9.644
  558   1HB   ALA 642          1HB       ALA 642   5.133   6.728 -11.627
  559   2HB   ALA 642          2HB       ALA 642   5.367   5.956 -10.057
  560   3HB   ALA 642          3HB       ALA 642   6.457   7.242 -10.577
  561    H    THR 643           H        THR 643   4.700   9.718 -11.764
  562    HA   THR 643           HA       THR 643   1.888   9.279 -12.681
  563    HB   THR 643           HB       THR 643   1.845  11.594 -13.386
  564    HG1  THR 643           HG1      THR 643   4.407  11.960 -12.288
  565   1HG2  THR 643          1HG2      THR 643   2.917  11.160 -10.593
  566   2HG2  THR 643          2HG2      THR 643   2.298  12.715 -11.147
  567   3HG2  THR 643          3HG2      THR 643   1.232  11.310 -11.089
  568    H    GLY 644           H        GLY 644   2.070   7.968 -14.431
  569   1HA   GLY 644          1HA       GLY 644   4.323   8.279 -16.308
  570   2HA   GLY 644          2HA       GLY 644   2.727   8.653 -16.957

  No H/Q in entry =         570