*HEADER    TRANSCRIPTION                           14-SEP-04   1XF7
*TITLE     HIGH RESOLUTION NMR STRUCTURE OF THE WILMS' TUMOR
*TITLE    2 SUPPRESSOR PROTEIN (WT1) FINGER 3
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: WILMS' TUMOR PROTEIN;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: ZINC FINGER 3;
*COMPND   5 SYNONYM: WT33; WILMS' TUMOR SUPPRESSOR PROTEIN;
*COMPND   6 ENGINEERED: YES;
*COMPND   7 MUTATION: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 OTHER_DETAILS: SYNTHESIZED BY SOLID-PHASE SYNTHESIS. THE
*SOURCE   4 SEQUENCE OCCURS NATURALLY HOMO SAPIENS (HUMAN). THE G28E
*SOURCE   5 AND T29K MUTATIONS IMPROVE SAMPLE BEHAVIOR WITHOUT
*SOURCE   6 AFFECTING THE STRUCTURE
*KEYWDS    ZINC FINGER
*EXPDTA    NMR, 40 STRUCTURES
*AUTHOR    M.J.LACHENMANN, J.E.LADBURY, J.DONG, K.HUANG, P.CAREY,
*AUTHOR   2 M.A.WEISS
*REVDAT   1   14-DEC-04 1XF7    0
                                                                                                  




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assign (resid  1 and name HA) (resid  2 and name HD2)  3.40  3.40  0.00
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assign (resid  1 and name HB2) (resid  2 and name HD1)  8.40  8.40  0.00
assign (resid  1 and name HB1) (resid  2 and name HD2)  8.40  8.40  0.00
assign (resid  1 and name HB2) (resid  2 and name HD2)  8.40  8.40  0.00
assign (resid  2 and name HA) (resid  3 and name HN)  3.40  3.40  0.00
assign (resid  2 and name HA) (resid  3 and name HD2)  4.30  4.30  0.00
assign (resid  2 and name HA) (resid  3 and name HE2)  5.00  5.00  0.00
assign (resid  2 and name HA) (resid 12 and name HN)  4.30  4.30  0.00
assign (resid  2 and name HA) (resid 13 and name HA)  4.30  4.30  0.00
assign (resid  2 and name HB1) (resid  3 and name HN)  4.30  4.30  0.00
assign (resid  2 and name HB2) (resid  3 and name HN)  4.30  4.30  0.00
assign (resid  2 and name HB1) (resid 12 and name HN)  6.00  6.00  0.00
assign (resid  2 and name HB2) (resid 12 and name HN)  6.00  6.00  0.00
assign (resid  2 and name HD1) (resid  3 and name HN)  6.70  6.70  0.00
assign (resid  2 and name HD2) (resid  3 and name HN)  6.70  6.70  0.00
assign (resid  3 and name HN) (resid 13 and name HA)  4.30  4.30  0.00
assign (resid  3 and name HN) (resid 11 and name HA)  5.00  5.00  0.00
assign (resid  3 and name HN) (resid 12 and name HN)  4.30  4.30  0.00
assign (resid  3 and name HN) (resid 12 and name HB1)  5.00  5.00  0.00
assign (resid  3 and name HA) (resid  4 and name HN)  3.40  3.40  0.00
assign (resid  3 and name HA) (resid 18 and name CD2)  6.10  6.10  0.00
assign (resid  3 and name HB1) (resid  4 and name HN)  6.00  6.00  0.00
assign (resid  3 and name HB2) (resid  4 and name HN)  6.00  6.00  0.00
assign (resid  3 and name HB1) (resid  4 and name HA)  5.00  5.00  0.00
assign (resid  3 and name HB2) (resid 12 and name HN)  4.30  4.30  0.00
assign (resid  3 and name HB1) (resid 12 and name HN)  4.30  4.30  0.00
assign (resid  3 and name HB1) (resid 12 and name HB1)  4.30  4.30  0.00
assign (resid  3 and name HB1) (resid 12 and name HB2)  5.00  5.00  0.00
assign (resid  3 and name HB2) (resid 18 and name HB1)  4.30  4.30  0.00
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assign (resid  3 and name HB1) (resid 18 and name HB1)  5.00  5.00  0.00
assign (resid  3 and name HB2) (resid 18 and name CD2)  5.40  5.40  0.00
assign (resid  3 and name HB2) (resid 18 and name CD1)  6.10  6.10  0.00
assign (resid  3 and name HB1) (resid 18 and name CD2)  6.10  6.10  0.00
assign (resid  3 and name HD1) (resid  4 and name HN)  4.30  4.30  0.00
assign (resid  3 and name HD2) (resid 12 and name HB1)  5.00  5.00  0.00
assign (resid  3 and name HD2) (resid 13 and name HA)  4.30  4.30  0.00
assign (resid  3 and name HD2) (resid 14 and name HA)  4.30  4.30  0.00
assign (resid  3 and name CG) (resid 15 and name HA)  7.10  7.10  0.00
assign (resid  3 and name CG) (resid 15 and name HB2)  7.10  7.10  0.00
assign (resid  3 and name HD1) (resid 15 and name HB1)  5.00  5.00  0.00
assign (resid  3 and name HD1) (resid 18 and name CD2)  5.40  5.40  0.00
assign (resid  3 and name HE2) (resid 14 and name HA)  3.40  3.40  0.00
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assign (resid  3 and name CZ) (resid 15 and name HA)  6.40  6.40  0.00
assign (resid  3 and name CZ) (resid 15 and name HB2)  6.40  6.40  0.00
assign (resid  3 and name HE1) (resid 15 and name HB1)  3.40  3.40  0.00
assign (resid  4 and name HN) (resid  5 and name HN)  5.00  5.00  0.00
assign (resid  4 and name HN) (resid 18 and name CD1)  6.10  6.10  0.00
assign (resid  4 and name HN) (resid 18 and name CD2)  5.40  5.40  0.00
assign (resid  4 and name HA) (resid  5 and name HN)  3.40  3.40  0.00
assign (resid  4 and name HA) (resid  5 and name HB1)  5.00  5.00  0.00
assign (resid  4 and name HA) (resid  5 and name HB2)  5.00  5.00  0.00
assign (resid  4 and name HA) (resid 11 and name HN)  5.00  5.00  0.00
assign (resid  4 and name HA) (resid 11 and name HA)  3.40  3.40  0.00
assign (resid  4 and name HA) (resid 11 and name HB1)  6.70  6.70  0.00
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assign (resid  4 and name HA) (resid 12 and name HN)  5.00  5.00  0.00
assign (resid  4 and name HA) (resid 12 and name HD2)  4.30  4.30  0.00
assign (resid  4 and name HA) (resid 12 and name CZ)  7.10  7.10  0.00
assign (resid  4 and name HA) (resid 18 and name CD1)  7.90  7.90  0.00
assign (resid  4 and name HA) (resid 18 and name CD2)  7.90  7.90  0.00
assign (resid  4 and name HB1) (resid  5 and name HN)  5.00  5.00  0.00
assign (resid  4 and name HB2) (resid  5 and name HN)  5.00  5.00  0.00
assign (resid  4 and name HB1) (resid  9 and name HA)  6.00  6.00  0.00
assign (resid  4 and name HB2) (resid  9 and name HA)  6.00  6.00  0.00
assign (resid  4 and name HB1) (resid  9 and name HB1)  8.40  8.40  0.00
assign (resid  4 and name HB2) (resid  9 and name HB1)  8.40  8.40  0.00
assign (resid  4 and name HB1) (resid  9 and name HB2)  8.40  8.40  0.00
assign (resid  4 and name HB2) (resid  9 and name HB2)  8.40  8.40  0.00
assign (resid  4 and name HB1) (resid 11 and name HA)  6.70  6.70  0.00
assign (resid  4 and name HB2) (resid 11 and name HA)  6.70  6.70  0.00
assign (resid  4 and name HG1) (resid  5 and name HN)  6.00  6.00  0.00
assign (resid  4 and name HG2) (resid  5 and name HN)  6.00  6.00  0.00
assign (resid  4 and name HG1) (resid  9 and name HN)  6.70  6.70  0.00
assign (resid  4 and name HG2) (resid  9 and name HN)  6.70  6.70  0.00
assign (resid  4 and name HG1) (resid  9 and name HA)  6.00  6.00  0.00
assign (resid  4 and name HG2) (resid  9 and name HA)  6.00  6.00  0.00
assign (resid  4 and name HE21) (resid  9 and name HA)  4.30  4.30  0.00
assign (resid  4 and name HE22) (resid  9 and name HG1)  5.10  5.10  0.00
assign (resid  4 and name HE22) (resid  9 and name HG2)  5.10  5.10  0.00
assign (resid  4 and name HE21) (resid  9 and name HG1)  6.00  6.00  0.00
assign (resid  4 and name HE21) (resid  9 and name HG2)  6.00  6.00  0.00
assign (resid  4 and name HE22) (resid 11 and name HB1)  6.70  6.70  0.00
assign (resid  4 and name HE22) (resid 11 and name HB2)  6.70  6.70  0.00
assign (resid  5 and name HN) (resid  6 and name HN)  5.00  5.00  0.00
assign (resid  5 and name HN) (resid  8 and name HN)  5.00  5.00  0.00
assign (resid  5 and name HN) (resid  9 and name HN)  5.00  5.00  0.00
assign (resid  5 and name HN) (resid  9 and name HA)  4.30  4.30  0.00
assign (resid  5 and name HN) (resid 10 and name HN)  4.30  4.30  0.00
assign (resid  5 and name HN) (resid 10 and name HB1)  6.70  6.70  0.00
assign (resid  5 and name HN) (resid 10 and name HB2)  6.70  6.70  0.00
assign (resid  5 and name HN) (resid 11 and name HA)  3.40  3.40  0.00
assign (resid  5 and name HN) (resid 11 and name HB1)  6.70  6.70  0.00
assign (resid  5 and name HN) (resid 11 and name HB2)  6.70  6.70  0.00
assign (resid  5 and name HN) (resid 12 and name HD2)  4.30  4.30  0.00
assign (resid  5 and name HN) (resid 12 and name HE2)  4.30  4.30  0.00
assign (resid  5 and name HN) (resid 18 and name CD1)  5.40  5.40  0.00
assign (resid  5 and name HN) (resid 21 and name HD2)  6.00  6.00  0.00
assign (resid  5 and name HA) (resid  6 and name HN)  3.40  3.40  0.00
assign (resid  5 and name HA) (resid  6 and name HB1)  6.00  6.00  0.00
assign (resid  5 and name HA) (resid  6 and name HB2)  6.00  6.00  0.00
assign (resid  5 and name HA) (resid  7 and name HN)  4.30  4.30  0.00
assign (resid  5 and name HA) (resid  8 and name HN)  5.00  5.00  0.00
assign (resid  5 and name HA) (resid  9 and name HN)  5.00  5.00  0.00
assign (resid  5 and name HA) (resid 12 and name HD2)  5.00  5.00  0.00
assign (resid  5 and name HA) (resid 12 and name HE2)  5.00  5.00  0.00
assign (resid  5 and name HA) (resid 18 and name HG)  4.30  4.30  0.00
assign (resid  5 and name HA) (resid 18 and name CD2)  6.10  6.10  0.00
assign (resid  5 and name HA) (resid 18 and name CD1)  4.50  4.50  0.00
assign (resid  5 and name HA) (resid 21 and name HD2)  4.30  4.30  0.00
assign (resid  5 and name HB1) (resid  6 and name HN)  5.00  5.00  0.00
assign (resid  5 and name HB1) (resid  7 and name HN)  5.00  5.00  0.00
assign (resid  5 and name HB1) (resid  8 and name HN)  5.00  5.00  0.00
assign (resid  5 and name HB1) (resid 10 and name HN)  5.00  5.00  0.00
assign (resid  5 and name HB1) (resid 12 and name HD2)  5.00  5.00  0.00
assign (resid  5 and name HB1) (resid 12 and name HE2)  5.00  5.00  0.00
assign (resid  5 and name HB1) (resid 12 and name HZ)  5.00  5.00  0.00
assign (resid  5 and name HB1) (resid 18 and name HG)  5.00  5.00  0.00
assign (resid  5 and name HB1) (resid 18 and name CD1)  5.40  5.40  0.00
assign (resid  5 and name HB1) (resid 21 and name HD2)  5.00  5.00  0.00
assign (resid  5 and name HB1) (resid 22 and name CG2)  6.10  6.10  0.00
assign (resid  5 and name HB2) (resid  6 and name HN)  5.00  5.00  0.00
assign (resid  5 and name HB2) (resid  7 and name HN)  5.00  5.00  0.00
assign (resid  5 and name HB2) (resid  8 and name HN)  4.30  4.30  0.00
assign (resid  5 and name HB2) (resid  9 and name HN)  3.40  3.40  0.00
assign (resid  5 and name HB2) (resid  9 and name HA)  5.00  5.00  0.00
assign (resid  5 and name HB2) (resid 10 and name HN)  4.30  4.30  0.00
assign (resid  5 and name HB2) (resid 10 and name HB1)  8.10  8.10  0.00
assign (resid  5 and name HB2) (resid 10 and name HG1)  8.10  8.10  0.00
assign (resid  5 and name HB2) (resid 10 and name HG2)  8.10  8.10  0.00
assign (resid  5 and name HB2) (resid 10 and name HB2)  5.00  5.00  0.00
assign (resid  5 and name HB2) (resid 12 and name HD2)  5.00  5.00  0.00
assign (resid  5 and name HB2) (resid 12 and name HE2)  5.00  5.00  0.00
assign (resid  5 and name HB2) (resid 12 and name HZ)  5.00  5.00  0.00
assign (resid  5 and name HB2) (resid 18 and name CD1)  6.10  6.10  0.00
assign (resid  5 and name HB2) (resid 21 and name HD2)  4.30  4.30  0.00
assign (resid  6 and name HN) (resid  7 and name HN)  3.40  3.40  0.00
assign (resid  6 and name HN) (resid  7 and name HA)  5.00  5.00  0.00
assign (resid  6 and name HN) (resid  7 and name HB)  5.00  5.00  0.00
assign (resid  6 and name HN) (resid  8 and name HN)  5.00  5.00  0.00
assign (resid  6 and name HN) (resid 18 and name CD1)  6.10  6.10  0.00
assign (resid  6 and name HA) (resid  7 and name HN)  4.30  4.30  0.00
assign (resid  6 and name HA) (resid  9 and name HE22)  3.40  3.40  0.00
assign (resid  6 and name HA) (resid  9 and name HE21)  4.30  4.30  0.00
assign (resid  6 and name HB1) (resid  7 and name HN)  6.00  6.00  0.00
assign (resid  6 and name HB2) (resid  7 and name HN)  6.00  6.00  0.00
assign (resid  7 and name HN) (resid  8 and name HN)  3.40  3.40  0.00
assign (resid  7 and name HN) (resid  8 and name HA)  5.00  5.00  0.00
assign (resid  7 and name HN) (resid  8 and name HB1)  6.70  6.70  0.00
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assign (resid  7 and name HN) (resid  9 and name HN)  4.30  4.30  0.00
assign (resid  7 and name HN) (resid  9 and name HA)  5.00  5.00  0.00
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assign (resid  7 and name HA) (resid  8 and name HN)  5.00  5.00  0.00
assign (resid  7 and name HB) (resid  8 and name HN)  3.40  3.40  0.00
assign (resid  7 and name HB) (resid  9 and name HN)  5.00  5.00  0.00
assign (resid  7 and name HB) (resid 21 and name HD2)  5.00  5.00  0.00
assign (resid  7 and name HB) (resid 22 and name HA)  5.00  5.00  0.00
assign (resid  7 and name HB) (resid 22 and name CG2)  6.10  6.10  0.00
assign (resid  7 and name HB) (resid 25 and name HD2)  5.00  5.00  0.00
assign (resid  7 and name HB) (resid 25 and name HE1)  5.00  5.00  0.00
assign (resid  7 and name CG2) (resid  8 and name HN)  6.10  6.10  0.00
assign (resid  7 and name CG2) (resid  8 and name HA)  6.10  6.10  0.00
assign (resid  7 and name CG2) (resid  8 and name HB2)  6.10  6.10  0.00
assign (resid  7 and name CG2) (resid  9 and name HN)  6.60  6.60  0.00
assign (resid  7 and name CG2) (resid 25 and name HD2)  6.10  6.10  0.00
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assign (resid  8 and name HN) (resid  9 and name HA)  4.30  4.30  0.00
assign (resid  8 and name HN) (resid  9 and name HG1)  6.70  6.70  0.00
assign (resid  8 and name HN) (resid  9 and name HG2)  6.70  6.70  0.00
assign (resid  8 and name HN) (resid 25 and name HD2)  5.00  5.00  0.00
assign (resid  8 and name HA) (resid  9 and name HN)  3.40  3.40  0.00
assign (resid  8 and name HA) (resid  9 and name HG1)  6.70  6.70  0.00
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assign (resid  8 and name HA) (resid  9 and name HE22)  5.00  5.00  0.00
assign (resid  8 and name HB1) (resid  9 and name HN)  4.30  4.30  0.00
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assign (resid  8 and name HB1) (resid 25 and name HE1)  4.30  4.30  0.00
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assign (resid  9 and name HN) (resid 10 and name HN)  4.30  4.30  0.00
assign (resid  9 and name HA) (resid 10 and name HN)  4.30  4.30  0.00
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assign (resid  9 and name HB1) (resid 10 and name HN)  6.70  6.70  0.00
assign (resid  9 and name HB2) (resid 10 and name HN)  6.70  6.70  0.00
assign (resid  9 and name HB1) (resid 10 and name HA)  6.70  6.70  0.00
assign (resid  9 and name HB2) (resid 10 and name HA)  6.70  6.70  0.00
assign (resid 10 and name HN) (resid 12 and name HE2)  5.00  5.00  0.00
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assign (resid 10 and name HG1) (resid 12 and name HD2)  8.10  8.10  0.00
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assign (resid 10 and name HG1) (resid 12 and name HE2)  6.50  6.50  0.00
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assign (resid 10 and name HB2) (resid 12 and name HZ)  4.30  4.30  0.00
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assign (resid 10 and name HG2) (resid 12 and name HZ)  6.70  6.70  0.00
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assign (resid 10 and name HG1) (resid 21 and name HD2)  8.10  8.10  0.00
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assign (resid 10 and name HB2) (resid 21 and name HE1)  4.30  4.30  0.00
assign (resid 10 and name HB1) (resid 21 and name HE1)  7.40  7.40  0.00
assign (resid 10 and name HG1) (resid 21 and name HE1)  6.00  6.00  0.00
assign (resid 10 and name HG2) (resid 21 and name HE1)  6.00  6.00  0.00
assign (resid 10 and name HD1) (resid 12 and name CG)  8.80  8.80  0.00
assign (resid 10 and name HD2) (resid 12 and name CG)  8.80  8.80  0.00
assign (resid 10 and name HD1) (resid 12 and name CZ)  8.80  8.80  0.00
assign (resid 10 and name HD2) (resid 12 and name CZ)  8.80  8.80  0.00
assign (resid 10 and name HD1) (resid 12 and name HZ)  5.10  5.10  0.00
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assign (resid 11 and name HA) (resid 12 and name HE2)  5.00  5.00  0.00
assign (resid 11 and name HB1) (resid 12 and name HN)  6.00  6.00  0.00
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assign (resid 12 and name HA) (resid 13 and name HN)  5.00  5.00  0.00
assign (resid 12 and name HB2) (resid 13 and name HN)  5.00  5.00  0.00
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assign (resid 12 and name HB2) (resid 18 and name HN)  5.00  5.00  0.00
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assign (resid 12 and name HD2) (resid 18 and name CD1)  4.50  4.50  0.00
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assign (resid 19 and name HN) (resid 20 and name HB) 20.00 16.60  0.00
assign (resid 19 and name HN) (resid 21 and name HN) 20.00 16.60  0.00
assign (resid 19 and name HN) (resid 22 and name HN) 20.00 16.60  0.00
assign (resid  2 and name HA) (resid  2 and name HB1)  3.40  1.60  0.00
assign (resid  2 and name HA) (resid  2 and name HB2)  3.40  1.60  0.00
assign (resid  2 and name HA) (resid  2 and name HG1)  6.00  4.20  0.00
assign (resid  2 and name HA) (resid  2 and name HG2)  6.00  4.20  0.00
assign (resid  2 and name HA) (resid  2 and name HD1) 20.00 16.60  0.00
assign (resid  2 and name HA) (resid  2 and name HD2) 20.00 16.60  0.00
assign (resid  3 and name HN) (resid  3 and name HB1)  3.40  1.60  0.00
assign (resid  3 and name HN) (resid  3 and name HB2)  4.30  2.50  0.00
assign (resid  3 and name HN) (resid  3 and name HD2)  3.40  1.60  0.00
assign (resid  3 and name HA) (resid  3 and name HB1)  3.40  1.60  0.00
assign (resid  3 and name HA) (resid  3 and name HB2)  3.40  1.60  0.00
assign (resid  3 and name HA) (resid  3 and name HD1)  3.40  1.60  0.00
assign (resid  3 and name HA) (resid  3 and name HE2) 20.00 17.30  0.00
assign (resid  3 and name HA) (resid  3 and name HE1) 20.00 17.30  0.00
assign (resid  3 and name HA) (resid  3 and name HZ) 20.00 17.30  0.00
assign (resid  3 and name HB2) (resid  3 and name HD1)  3.40  1.60  0.00
assign (resid  3 and name HB1) (resid  3 and name HD2)  3.40  1.60  0.00
assign (resid  3 and name HB1) (resid  3 and name HE2) 20.00 17.30  0.00
assign (resid  3 and name HB1) (resid  3 and name HE1) 20.00 17.30  0.00
assign (resid  3 and name HB2) (resid  3 and name HE2) 20.00 17.30  0.00
assign (resid  3 and name HB2) (resid  3 and name HE1) 20.00 17.30  0.00
assign (resid  3 and name HB1) (resid  3 and name HZ) 20.00 17.30  0.00
assign (resid  3 and name HB2) (resid  3 and name HZ) 20.00 17.30  0.00
assign (resid  4 and name HN) (resid  4 and name HB1)  3.40  1.60  0.00
assign (resid  4 and name HN) (resid  4 and name HB2)  3.40  1.60  0.00
assign (resid  4 and name HN) (resid  4 and name HG1) 20.00 17.30  0.00
assign (resid  4 and name HN) (resid  4 and name HG2) 20.00 17.30  0.00
assign (resid  4 and name HN) (resid  4 and name HE22) 20.00 16.60  0.00
assign (resid  4 and name HN) (resid  4 and name HE21) 20.00 16.60  0.00
assign (resid  4 and name HA) (resid  4 and name HB1)  3.40  1.60  0.00
assign (resid  4 and name HA) (resid  4 and name HB2)  3.40  1.60  0.00
assign (resid  4 and name HA) (resid  4 and name HE22)  5.00  3.20  0.00
assign (resid  4 and name HB1) (resid  4 and name HE22)  5.10  3.30  0.00
assign (resid  4 and name HB2) (resid  4 and name HE22)  5.10  3.30  0.00
assign (resid  4 and name HG1) (resid  4 and name HE22)  6.00  4.20  0.00
assign (resid  4 and name HG2) (resid  4 and name HE22)  6.00  4.20  0.00
assign (resid  5 and name HN) (resid  5 and name HA)  4.30  2.10  0.00
assign (resid  5 and name HN) (resid  5 and name HB1)  3.40  1.60  0.00
assign (resid  5 and name HN) (resid  5 and name HB2)  3.40  1.60  0.00
assign (resid  5 and name HA) (resid  5 and name HB1)  2.70  0.90  0.00
assign (resid  5 and name HA) (resid  5 and name HB2)  3.40  1.60  0.00
assign (resid  6 and name HN) (resid  6 and name HA)  3.40  1.20  0.00
assign (resid  6 and name HN) (resid  6 and name HB1)  5.10  3.30  0.00
assign (resid  6 and name HN) (resid  6 and name HB2)  5.10  3.30  0.00
assign (resid  6 and name HN) (resid  6 and name HG1)  6.00  4.20  0.00
assign (resid  6 and name HN) (resid  6 and name HG2)  6.00  4.20  0.00
assign (resid  6 and name HA) (resid  6 and name HB1)  4.40  2.60  0.00
assign (resid  6 and name HA) (resid  6 and name HB2)  4.40  2.60  0.00
assign (resid  6 and name HA) (resid  6 and name HG1)  6.00  4.20  0.00
assign (resid  6 and name HA) (resid  6 and name HG2)  6.00  4.20  0.00
assign (resid  7 and name HN) (resid  7 and name HA)  3.40  1.20  0.00
assign (resid  7 and name HN) (resid  7 and name HB)  3.40  1.60  0.00
assign (resid  7 and name HN) (resid  7 and name CG2)  5.30  3.50  0.00
assign (resid  8 and name HN) (resid  8 and name HA)  4.30  2.10  0.00
assign (resid  8 and name HN) (resid  8 and name HB1)  4.30  2.50  0.00
assign (resid  8 and name HN) (resid  8 and name HB2)  4.30  2.50  0.00
assign (resid  8 and name HA) (resid  8 and name HB1)  2.70  0.90  0.00
assign (resid  8 and name HA) (resid  8 and name HB2)  2.70  0.90  0.00
assign (resid  9 and name HN) (resid  9 and name HA)  2.70  0.50  0.00
assign (resid  9 and name HN) (resid  9 and name HB1)  9.10  7.30  0.00
assign (resid  9 and name HN) (resid  9 and name HB2)  9.10  7.30  0.00
assign (resid  9 and name HN) (resid  9 and name HG1)  9.10  7.30  0.00
assign (resid  9 and name HN) (resid  9 and name HG2)  9.10  7.30  0.00
assign (resid  9 and name HN) (resid  9 and name HE21) 20.00 16.60  0.00
assign (resid  9 and name HA) (resid  9 and name HB1)  8.60  6.80  0.00
assign (resid  9 and name HA) (resid  9 and name HB2)  8.60  6.80  0.00
assign (resid  9 and name HA) (resid  9 and name HG1)  8.60  6.80  0.00
assign (resid  9 and name HA) (resid  9 and name HG2)  8.60  6.80  0.00
assign (resid  9 and name HA) (resid  9 and name HE21) 20.00 16.60  0.00
assign (resid  9 and name HB1) (resid  9 and name HE22)  6.50  4.70  0.00
assign (resid  9 and name HB2) (resid  9 and name HE22)  6.50  4.70  0.00
assign (resid  9 and name HG1) (resid  9 and name HE22)  6.50  4.70  0.00
assign (resid  9 and name HG2) (resid  9 and name HE22)  6.50  4.70  0.00
assign (resid  9 and name HB1) (resid  9 and name HE21)  7.40  5.60  0.00
assign (resid  9 and name HB2) (resid  9 and name HE21)  7.40  5.60  0.00
assign (resid  9 and name HG1) (resid  9 and name HE21)  7.40  5.60  0.00
assign (resid  9 and name HG2) (resid  9 and name HE21)  7.40  5.60  0.00
assign (resid 10 and name HN) (resid 10 and name HD1) 20.00 17.30  0.00
assign (resid 10 and name HN) (resid 10 and name HD2) 20.00 17.30  0.00
assign (resid 10 and name HN) (resid 10 and name HE) 20.00 17.30  0.00
assign (resid 10 and name HA) (resid 10 and name HE) 20.00 16.60  0.00
assign (resid 10 and name HA) (resid 10 and name HB1)  6.50  4.70  0.00
assign (resid 10 and name HA) (resid 10 and name HB2)  3.40  1.60  0.00
assign (resid 10 and name HA) (resid 10 and name HG1)  6.00  4.20  0.00
assign (resid 10 and name HA) (resid 10 and name HG2)  6.00  4.20  0.00
assign (resid 10 and name HA) (resid 10 and name HD1) 20.00 17.30  0.00
assign (resid 10 and name HA) (resid 10 and name HD2) 20.00 17.30  0.00
assign (resid 10 and name HB2) (resid 10 and name HD1)  4.30  2.50  0.00
assign (resid 10 and name HB2) (resid 10 and name HD2)  4.30  2.50  0.00
assign (resid 10 and name HB2) (resid 10 and name HE) 20.00 16.60  0.00
assign (resid 10 and name HG1) (resid 10 and name HD1)  6.00  4.20  0.00
assign (resid 10 and name HG1) (resid 10 and name HD2)  6.00  4.20  0.00
assign (resid 10 and name HG2) (resid 10 and name HD1)  6.00  4.20  0.00
assign (resid 10 and name HG2) (resid 10 and name HD2)  6.00  4.20  0.00
assign (resid 10 and name HB1) (resid 10 and name HD1)  6.50  4.70  0.00
assign (resid 10 and name HB1) (resid 10 and name HD2)  6.50  4.70  0.00
assign (resid 11 and name HA) (resid 11 and name HD1) 20.00 17.30  0.00
assign (resid 11 and name HA) (resid 11 and name HD2) 20.00 17.30  0.00
assign (resid 12 and name HN) (resid 12 and name HB1)  3.40  1.60  0.00
assign (resid 12 and name HN) (resid 12 and name HB2) 20.00 17.30  0.00
assign (resid 12 and name HN) (resid 12 and name HZ) 20.00 16.60  0.00
assign (resid 12 and name HA) (resid 12 and name HB1)  3.40  1.60  0.00
assign (resid 12 and name HA) (resid 12 and name HB2)  3.40  1.60  0.00
assign (resid 12 and name HN) (resid 12 and name HD2)  3.40  1.60  0.00
assign (resid 12 and name HA) (resid 12 and name HD1)  4.30  2.50  0.00
assign (resid 12 and name HA) (resid 12 and name HE2) 20.00 16.60  0.00
assign (resid 12 and name HA) (resid 12 and name HE1) 20.00 16.60  0.00
assign (resid 12 and name HB1) (resid 12 and name HD2)  3.40  1.60  0.00
assign (resid 12 and name HB2) (resid 12 and name HD1)  3.40  1.60  0.00
assign (resid 12 and name HB1) (resid 12 and name HE2) 20.00 16.60  0.00
assign (resid 12 and name HB2) (resid 12 and name HE2) 20.00 16.60  0.00
assign (resid 12 and name HB1) (resid 12 and name HE1) 20.00 16.60  0.00
assign (resid 12 and name HB2) (resid 12 and name HE1) 20.00 16.60  0.00
assign (resid 12 and name HB1) (resid 12 and name HZ) 20.00 16.60  0.00
assign (resid 12 and name HB2) (resid 12 and name HZ) 20.00 16.60  0.00
assign (resid 13 and name HA) (resid 13 and name HB1)  3.40  1.60  0.00
assign (resid 13 and name HA) (resid 13 and name HB2)  3.40  1.60  0.00
assign (resid 14 and name HN) (resid 14 and name HA) 20.00 17.30  0.00
assign (resid 14 and name HN) (resid 14 and name HB1)  3.40  1.60  0.00
assign (resid 14 and name HN) (resid 14 and name HB2)  4.30  2.50  0.00
assign (resid 14 and name HN) (resid 14 and name HG1) 20.00 17.30  0.00
assign (resid 14 and name HN) (resid 14 and name HG2) 20.00 17.30  0.00
assign (resid 14 and name HA) (resid 14 and name HB1)  4.30  2.50  0.00
assign (resid 14 and name HA) (resid 14 and name HB2)  3.40  1.60  0.00
assign (resid 14 and name HA) (resid 14 and name HG1)  4.30  2.50  0.00
assign (resid 14 and name HA) (resid 14 and name HG2)  4.30  2.50  0.00
assign (resid 14 and name HA) (resid 14 and name HD1) 20.00 17.30  0.00
assign (resid 14 and name HA) (resid 14 and name HD2) 20.00 17.30  0.00
assign (resid 14 and name HB1) (resid 14 and name HD1)  6.00  4.20  0.00
assign (resid 14 and name HB1) (resid 14 and name HD2)  6.00  4.20  0.00
assign (resid 14 and name HG1) (resid 14 and name HD1)  6.00  4.20  0.00
assign (resid 14 and name HG2) (resid 14 and name HD1)  6.00  4.20  0.00
assign (resid 14 and name HG1) (resid 14 and name HD2)  6.00  4.20  0.00
assign (resid 14 and name HG2) (resid 14 and name HD2)  6.00  4.20  0.00
assign (resid 14 and name HE) (resid 14 and name HN) 20.00 16.60  0.00
assign (resid 14 and name HE) (resid 14 and name HA) 20.00 16.60  0.00
assign (resid 14 and name HE) (resid 14 and name HB2)  4.30  2.50  0.00
assign (resid 14 and name HE) (resid 14 and name HG1)  4.30  2.50  0.00
assign (resid 14 and name HE) (resid 14 and name HG2)  4.30  2.50  0.00
assign (resid 14 and name HE) (resid 14 and name HD1)  4.30  2.50  0.00
assign (resid 14 and name HE) (resid 14 and name HD2)  4.30  2.50  0.00
assign (resid 15 and name HN) (resid 15 and name HA)  3.40  1.20  0.00
assign (resid 15 and name HN) (resid 15 and name HB1)  4.30  2.50  0.00
assign (resid 15 and name HN) (resid 15 and name HB2)  3.40  1.60  0.00
assign (resid 16 and name HN) (resid 16 and name HA)  3.40  1.20  0.00
assign (resid 16 and name HN) (resid 16 and name HB1)  4.30  2.50  0.00
assign (resid 16 and name HN) (resid 16 and name HB2)  3.40  1.60  0.00
assign (resid 16 and name HA) (resid 16 and name HB1)  2.70  0.90  0.00
assign (resid 16 and name HA) (resid 16 and name HB2)  2.70  0.90  0.00
assign (resid 17 and name HN) (resid 17 and name HA)  4.30  2.10  0.00
assign (resid 17 and name HN) (resid 17 and name HB1)  5.10  3.30  0.00
assign (resid 17 and name HN) (resid 17 and name HB2)  5.10  3.30  0.00
assign (resid 17 and name HN) (resid 17 and name HE1) 20.00 17.30  0.00
assign (resid 17 and name HA) (resid 17 and name HB1)  5.10  3.30  0.00
assign (resid 17 and name HA) (resid 17 and name HB2)  5.10  3.30  0.00
assign (resid 17 and name HA) (resid 17 and name HD2)  2.70  0.90  0.00
assign (resid 17 and name HA) (resid 17 and name HE1) 20.00 17.30  0.00
assign (resid 17 and name HB1) (resid 17 and name HD2)  4.30  2.50  0.00
assign (resid 17 and name HB2) (resid 17 and name HD2)  4.30  2.50  0.00
assign (resid 17 and name HB1) (resid 17 and name HE1) 20.00 17.30  0.00
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assign (resid 18 and name HN) (resid 18 and name HA)  3.40  1.20  0.00
assign (resid 18 and name HN) (resid 18 and name HB1)  3.40  1.60  0.00
assign (resid 18 and name HN) (resid 18 and name HB2)  3.40  1.60  0.00
assign (resid 18 and name HA) (resid 18 and name HB1)  3.40  1.60  0.00
assign (resid 18 and name HA) (resid 18 and name HB2)  4.30  2.50  0.00
assign (resid 18 and name HA) (resid 18 and name HG)  4.30  2.50  0.00
assign (resid 18 and name HA) (resid 18 and name CD1)  5.40  3.70  0.00
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assign (resid 18 and name HB2) (resid 18 and name HG)  4.30  2.50  0.00
assign (resid 18 and name HB2) (resid 18 and name CD2)  6.10  4.40  0.00
assign (resid 19 and name HN) (resid 19 and name HB1)  5.10  3.30  0.00
assign (resid 19 and name HN) (resid 19 and name HB2)  5.10  3.30  0.00
assign (resid 19 and name HA) (resid 19 and name HB1)  5.10  3.30  0.00
assign (resid 19 and name HA) (resid 19 and name HB2)  5.10  3.30  0.00
assign (resid 19 and name HA) (resid 19 and name HG1)  6.00  4.20  0.00
assign (resid 19 and name HA) (resid 19 and name HG2)  6.00  4.20  0.00
assign (resid 19 and name HA) (resid 19 and name HD1)  6.00  4.20  0.00
assign (resid 19 and name HA) (resid 19 and name HD2)  6.00  4.20  0.00
assign (resid 19 and name HA) (resid 19 and name HE1) 20.00 16.60  0.00
assign (resid 19 and name HA) (resid 19 and name HE2) 20.00 16.60  0.00
assign (resid 20 and name HN) (resid 20 and name HA)  4.30  2.10  0.00
assign (resid 20 and name HN) (resid 20 and name HB)  3.40  1.60  0.00
assign (resid 20 and name HN) (resid 20 and name CG2)  6.00  4.20  0.00
assign (resid 21 and name HN) (resid 21 and name HA)  4.30  2.10  0.00
assign (resid 21 and name HN) (resid 21 and name HB1)  3.40  1.60  0.00
assign (resid 21 and name HN) (resid 21 and name HB2)  3.40  1.60  0.00
assign (resid 21 and name HN) (resid 21 and name HE1) 20.00 16.60  0.00
assign (resid 21 and name HA) (resid 21 and name HB1)  3.40  1.60  0.00
assign (resid 21 and name HA) (resid 21 and name HB2)  3.40  1.60  0.00
assign (resid 21 and name HA) (resid 21 and name HD2) 20.00 17.30  0.00
assign (resid 21 and name HA) (resid 21 and name HE1) 20.00 17.30  0.00
assign (resid 21 and name HB1) (resid 21 and name HD2)  5.00  3.20  0.00
assign (resid 21 and name HB2) (resid 21 and name HD2)  3.40  1.60  0.00
assign (resid 21 and name HB1) (resid 21 and name HE1) 20.00 17.30  0.00
assign (resid 21 and name HB2) (resid 21 and name HE1) 20.00 17.30  0.00
assign (resid 22 and name HN) (resid 22 and name HA)  3.40  1.20  0.00
assign (resid 22 and name HN) (resid 22 and name HB)  3.40  1.60  0.00
assign (resid 22 and name HN) (resid 22 and name OG1)  5.30  3.50  0.00
assign (resid 22 and name HN) (resid 22 and name CG2)  4.40  2.60  0.00
assign (resid 22 and name HA) (resid 22 and name HB)  3.40  1.60  0.00
assign (resid 23 and name HN) (resid 23 and name HE) 20.00 16.60  0.00
assign (resid 23 and name HA) (resid 23 and name HB1)  7.50  5.70  0.00
assign (resid 23 and name HA) (resid 23 and name HB2)  7.50  5.70  0.00
assign (resid 23 and name HA) (resid 23 and name HG1)  7.50  5.70  0.00
assign (resid 23 and name HA) (resid 23 and name HG2)  7.50  5.70  0.00
assign (resid 24 and name HN) (resid 24 and name HA)  3.40  1.20  0.00
assign (resid 24 and name HN) (resid 24 and name HB)  4.30  2.50  0.00
assign (resid 24 and name HN) (resid 24 and name CG2)  4.40  2.60  0.00
assign (resid 24 and name HA) (resid 24 and name CG2)  3.70  1.90  0.00
assign (resid 25 and name HN) (resid 25 and name HB1)  5.10  3.30  0.00
assign (resid 25 and name HN) (resid 25 and name HB2)  5.10  3.30  0.00
assign (resid 25 and name HN) (resid 25 and name HE1) 20.00 16.60  0.00
assign (resid 25 and name HA) (resid 25 and name HB1)  5.10  3.30  0.00
assign (resid 25 and name HA) (resid 25 and name HB2)  5.10  3.30  0.00
assign (resid 25 and name HA) (resid 25 and name HD2)  5.00  3.20  0.00
assign (resid 25 and name HA) (resid 25 and name HE1) 20.00 16.60  0.00
assign (resid 25 and name HB1) (resid 25 and name HD2)  5.10  3.30  0.00
assign (resid 25 and name HB2) (resid 25 and name HD2)  5.10  3.30  0.00
assign (resid 25 and name HB1) (resid 25 and name HE1) 20.00 16.60  0.00
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assign (resid 26 and name HN) (resid 26 and name HA)  6.50  4.30  0.00
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assign (resid 26 and name HN) (resid 26 and name CG2)  5.30  3.50  0.00
assign (resid 27 and name HN) (resid 27 and name HA1)  3.40  2.20  0.00
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assign (resid 28 and name HA) (resid 28 and name HB1)  3.40  1.60  0.00
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assign (resid 28 and name HA) (resid 28 and name HG1)  6.00  4.20  0.00
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assign (resid 5  and name C) (resid 6  and name N) (resid 6  and name CA) (resid 6  and name C)  1  -65.0 40.0 2
assign (resid 17 and name C) (resid 18 and name N) (resid 18 and name CA) (resid 18 and name C)  1  -65.0 40.0 2
assign (resid 18 and name C) (resid 19 and name N) (resid 19 and name CA) (resid 19 and name C)  1  -65.0 40.0 2
assign (resid 19 and name C) (resid 20 and name N) (resid 20 and name CA) (resid 20 and name C)  1  -65.0 40.0 2

assign (resid 2 and name C) (resid 3 and name N) (resid 3 and name CA) (resid 3 and name C)  1  -120.0 40.0 2
assign (resid 3 and name C) (resid 4 and name N) (resid 4 and name CA) (resid 4 and name C)  1  -120.0 40.0 2
assign (resid 6 and name C) (resid 7 and name N) (resid 7 and name CA) (resid 7 and name C)  1  -120.0 40.0 2
assign (resid 7 and name C) (resid 8 and name N) (resid 8 and name CA) (resid 8 and name C)  1  -120.0 40.0 2
assign (resid 10 and name C) (resid 11 and name N) (resid 11 and name CA) (resid 11 and name C)  1  -120.0 40.0 2
assign (resid 13 and name C) (resid 14 and name N) (resid 14 and name CA) (resid 14 and name C)  1  -120.0 40.0 2
assign (resid 23 and name C) (resid 24 and name N) (resid 24 and name CA) (resid 24 and name C)  1  -120.0 40.0 2

assign (resid 3 and name N) (resid 3 and name CA) (resid 3 and name CB) (resid 3 and name CG)  1  -60.0 40.0 2
assign (resid 4 and name N) (resid 4 and name CA) (resid 4 and name CB) (resid 4 and name CG)  1  +180.0 40.0 2
assign (resid 5 and name N) (resid 5 and name CA) (resid 5 and name CB) (resid 5 and name SG)  1  +180.0 40.0 2
assign (resid 7 and name N) (resid 7 and name CA) (resid 7 and name CB) (resid 7 and name CG2)  1  +180.0 40.0 2
assign (resid 8 and name N) (resid 8 and name CA) (resid 8 and name CB) (resid 8 and name SG)  1  +60.0 40.0 2
assign (resid 10 and name N) (resid 10 and name CA) (resid 10 and name CB) (resid 10 and name CG)  1  +180.0 40.0 2
assign (resid 12 and name N) (resid 12 and name CA) (resid 12 and name CB) (resid 12 and name CG)  1  -60.0 40.0 2
assign (resid 13 and name N) (resid 13 and name CA) (resid 13 and name CB) (resid 13 and name OG)  1  +60.0 40.0 2
assign (resid 14 and name N) (resid 14 and name CA) (resid 14 and name CB) (resid 14 and name CG)  1  -60.0 40.0 2
assign (resid 15 and name N) (resid 15 and name CA) (resid 15 and name CB) (resid 15 and name OG)  1  +60.0 40.0 2
assign (resid 16 and name N) (resid 16 and name CA) (resid 16 and name CB) (resid 16 and name CG)  1  +60.0 40.0 2
assign (resid 18 and name N) (resid 18 and name CA) (resid 18 and name CB) (resid 18 and name CG)  1  180.0 40.0 2
!assign (resid 20 and name N) (resid 20 and name CA) (resid 20 and name CB) (resid 20 and name CG2)  1  180.0 40.0 2
assign (resid 21 and name N) (resid 21 and name CA) (resid 21 and name CB) (resid 21 and name CG)  1  180.0 40.0 2
!assign (resid 22 and name N) (resid 22 and name CA) (resid 22 and name CB) (resid 22 and name CG2)  1  -60.0 40.0 2



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          1H        LYS   1  -7.096  11.629  -1.261
    2   2H    LYS   1          2H        LYS   1  -7.745  12.653  -2.450
    3   3H    LYS   1          3H        LYS   1  -6.241  13.009  -1.753
    4    HA   LYS   1           HA       LYS   1  -6.807  11.458  -4.025
    5   1HB   LYS   1          2HB       LYS   1  -4.162  11.942  -2.551
    6   2HB   LYS   1          1HB       LYS   1  -4.310  11.473  -4.231
    7   1HG   LYS   1          2HG       LYS   1  -5.269  14.094  -3.019
    8   2HG   LYS   1          1HG       LYS   1  -3.844  13.890  -4.015
    9   1HD   LYS   1          2HD       LYS   1  -5.340  13.095  -5.902
   10   2HD   LYS   1          1HD       LYS   1  -6.736  13.463  -4.904
   11   1HE   LYS   1          2HE       LYS   1  -4.638  15.480  -5.834
   12   2HE   LYS   1          1HE       LYS   1  -6.288  15.354  -6.413
   13   1HZ   LYS   1          1HZ       LYS   1  -6.362  15.565  -3.631
   14   2HZ   LYS   1          2HZ       LYS   1  -6.925  16.667  -4.795
   15   3HZ   LYS   1          3HZ       LYS   1  -5.329  16.775  -4.226
   16    HA   PRO   2           HA       PRO   2  -6.536   7.866  -1.021
   17   1HB   PRO   2          1HB       PRO   2  -8.950   6.751  -1.332
   18   2HB   PRO   2          2HB       PRO   2  -8.790   8.262  -0.427
   19   1HG   PRO   2          2HG       PRO   2  -9.516   7.943  -3.400
   20   2HG   PRO   2          1HG       PRO   2 -10.412   8.824  -2.160
   21   1HD   PRO   2          1HD       PRO   2  -8.618  10.120  -3.785
   22   2HD   PRO   2          2HD       PRO   2  -8.826  10.609  -2.089
   23    H    PHE   3           H        PHE   3  -5.909   5.922  -1.439
   24    HA   PHE   3           HA       PHE   3  -5.961   4.837  -4.232
   25   1HB   PHE   3          1HB       PHE   3  -3.716   4.888  -2.179
   26   2HB   PHE   3          2HB       PHE   3  -3.659   3.886  -3.618
   27    HD1  PHE   3           HD1      PHE   3  -3.433   4.915  -5.845
   28    HD2  PHE   3           HD2      PHE   3  -3.531   7.312  -2.326
   29    HE1  PHE   3           HE1      PHE   3  -2.587   6.832  -7.124
   30    HE2  PHE   3           HE2      PHE   3  -2.695   9.232  -3.614
   31    HZ   PHE   3           HZ       PHE   3  -2.224   8.996  -6.008
   32    H    GLN   4           H        GLN   4  -5.865   2.538  -4.348
   33    HA   GLN   4           HA       GLN   4  -6.635   1.062  -1.862
   34   1HB   GLN   4          1HB       GLN   4  -8.657   1.695  -3.285
   35   2HB   GLN   4          2HB       GLN   4  -7.964   0.765  -4.594
   36   1HG   GLN   4          2HG       GLN   4  -9.619  -0.630  -3.447
   37   2HG   GLN   4          1HG       GLN   4  -8.028  -1.294  -3.118
   38   1HE2  GLN   4          2HE2      GLN   4  -7.856  -1.884  -0.975
   39   2HE2  GLN   4          1HE2      GLN   4  -8.553  -1.065   0.337
   40    H    CYS   5           H        CYS   5  -5.853  -1.065  -1.781
   41    HA   CYS   5           HA       CYS   5  -3.714  -1.740  -3.730
   42   1HB   CYS   5          1HB       CYS   5  -3.251  -1.937  -1.338
   43   2HB   CYS   5          2HB       CYS   5  -4.605  -3.043  -1.142
   44    H    LYS   6           H        LYS   6  -4.052  -3.220  -5.242
   45    HA   LYS   6           HA       LYS   6  -6.718  -4.566  -5.361
   46   1HB   LYS   6          1HB       LYS   6  -5.542  -3.020  -7.256
   47   2HB   LYS   6          2HB       LYS   6  -4.727  -4.509  -7.637
   48   1HG   LYS   6          2HG       LYS   6  -6.534  -4.808  -9.009
   49   2HG   LYS   6          1HG       LYS   6  -7.242  -5.491  -7.562
   50   1HD   LYS   6          2HD       LYS   6  -7.579  -2.608  -8.499
   51   2HD   LYS   6          1HD       LYS   6  -8.754  -3.877  -8.731
   52   1HE   LYS   6          2HE       LYS   6  -9.541  -2.618  -6.861
   53   2HE   LYS   6          1HE       LYS   6  -8.867  -4.081  -6.171
   54   1HZ   LYS   6          1HZ       LYS   6  -6.833  -2.156  -6.339
   55   2HZ   LYS   6          2HZ       LYS   6  -7.532  -2.846  -4.956
   56   3HZ   LYS   6          3HZ       LYS   6  -8.192  -1.437  -5.626
   57    H    THR   7           H        THR   7  -4.669  -5.383  -3.618
   58    HA   THR   7           HA       THR   7  -4.122  -8.128  -4.647
   59    HB   THR   7           HB       THR   7  -2.256  -6.512  -2.821
   60    HG1  THR   7           HG1      THR   7  -1.343  -7.112  -5.269
   61   1HG2  THR   7          1HG2      THR   7  -1.879  -9.061  -4.508
   62   2HG2  THR   7          2HG2      THR   7  -2.067  -9.087  -2.761
   63   3HG2  THR   7          3HG2      THR   7  -0.658  -8.330  -3.485
   64    H    CYS   8           H        CYS   8  -4.702  -6.034  -1.796
   65    HA   CYS   8           HA       CYS   8  -5.770  -8.481  -0.406
   66   1HB   CYS   8          1HB       CYS   8  -5.029  -7.507   1.706
   67   2HB   CYS   8          2HB       CYS   8  -3.667  -7.729   0.601
   68    H    GLN   9           H        GLN   9  -5.906  -5.086  -0.769
   69    HA   GLN   9           HA       GLN   9  -7.805  -3.732  -1.200
   70   1HB   GLN   9          1HB       GLN   9  -9.429  -5.685   0.567
   71   2HB   GLN   9          2HB       GLN   9 -10.046  -4.239  -0.165
   72   1HG   GLN   9          2HG       GLN   9  -9.027  -6.658  -1.729
   73   2HG   GLN   9          1HG       GLN   9 -10.678  -6.090  -1.585
   74   1HE2  GLN   9          2HE2      GLN   9  -8.049  -6.003  -3.612
   75   2HE2  GLN   9          1HE2      GLN   9  -8.411  -4.586  -4.473
   76    H    ARG  10           H        ARG  10  -6.011  -2.881   0.064
   77    HA   ARG  10           HA       ARG  10  -6.903  -1.853   2.735
   78   1HB   ARG  10          1HB       ARG  10  -4.856  -3.470   2.552
   79   2HB   ARG  10          2HB       ARG  10  -4.034  -2.135   1.747
   80   1HG   ARG  10          2HG       ARG  10  -4.003  -0.805   3.688
   81   2HG   ARG  10          1HG       ARG  10  -5.289  -1.721   4.466
   82   1HD   ARG  10          2HD       ARG  10  -3.768  -3.750   4.494
   83   2HD   ARG  10          1HD       ARG  10  -2.491  -2.750   3.817
   84    HE   ARG  10           HE       ARG  10  -3.709  -2.018   6.438
   85   1HH1  ARG  10          1HH1      ARG  10  -1.571  -4.262   5.888
   86   2HH1  ARG  10          2HH1      ARG  10  -0.139  -3.447   6.423
   87   1HH2  ARG  10          2HH2      ARG  10  -1.731  -0.316   6.501
   88   2HH2  ARG  10          1HH2      ARG  10  -0.234  -1.150   6.773
   89    H    LYS  11           H        LYS  11  -6.457   0.505   2.943
   90    HA   LYS  11           HA       LYS  11  -6.132   1.738   0.230
   91   1HB   LYS  11          1HB       LYS  11  -7.473   3.615   1.009
   92   2HB   LYS  11          2HB       LYS  11  -8.351   2.132   1.309
   93   1HG   LYS  11          2HG       LYS  11  -7.746   2.154   3.683
   94   2HG   LYS  11          1HG       LYS  11  -6.683   3.528   3.461
   95   1HD   LYS  11          2HD       LYS  11  -9.683   3.610   2.969
   96   2HD   LYS  11          1HD       LYS  11  -8.902   4.153   4.442
   97   1HE   LYS  11          2HE       LYS  11  -7.560   5.810   3.057
   98   2HE   LYS  11          1HE       LYS  11  -8.497   5.330   1.650
   99   1HZ   LYS  11          1HZ       LYS  11 -10.274   5.894   3.726
  100   2HZ   LYS  11          2HZ       LYS  11 -10.070   6.707   2.251
  101   3HZ   LYS  11          3HZ       LYS  11  -9.169   7.176   3.610
  102    H    PHE  12           H        PHE  12  -5.255   3.873   0.153
  103    HA   PHE  12           HA       PHE  12  -3.308   4.613   2.268
  104   1HB   PHE  12          1HB       PHE  12  -2.555   4.080  -0.668
  105   2HB   PHE  12          2HB       PHE  12  -1.462   4.706   0.546
  106    HD1  PHE  12           HD1      PHE  12  -0.990   3.290   2.617
  107    HD2  PHE  12           HD2      PHE  12  -3.135   1.729  -0.718
  108    HE1  PHE  12           HE1      PHE  12  -0.671   1.014   3.471
  109    HE2  PHE  12           HE2      PHE  12  -2.807  -0.540   0.134
  110    HZ   PHE  12           HZ       PHE  12  -1.592  -0.900   2.233
  111    H    SER  13           H        SER  13  -2.171   6.686   1.474
  112    HA   SER  13           HA       SER  13  -4.285   8.578   0.541
  113   1HB   SER  13          2HB       SER  13  -2.916  10.283   1.822
  114   2HB   SER  13          1HB       SER  13  -3.526   8.996   2.839
  115    HG   SER  13           HG       SER  13  -1.222   8.211   1.685
  116    H    ARG  14           H        ARG  14  -1.089   7.418  -0.073
  117    HA   ARG  14           HA       ARG  14  -0.860   9.292  -2.409
  118   1HB   ARG  14          1HB       ARG  14   1.358   8.203  -0.641
  119   2HB   ARG  14          2HB       ARG  14   1.588   9.109  -2.130
  120   1HG   ARG  14          2HG       ARG  14   0.534  11.068  -1.245
  121   2HG   ARG  14          1HG       ARG  14  -0.031  10.212   0.176
  122   1HD   ARG  14          2HD       ARG  14   2.212   9.935   1.013
  123   2HD   ARG  14          1HD       ARG  14   2.938  10.541  -0.448
  124    HE   ARG  14           HE       ARG  14   1.961  12.763   0.114
  125   1HH1  ARG  14          2HH2      ARG  14  -0.190  11.948   1.932
  126   2HH1  ARG  14          1HH2      ARG  14   0.466  12.274   3.502
  127   1HH2  ARG  14          1HH1      ARG  14   3.758  12.460   2.319
  128   2HH2  ARG  14          2HH1      ARG  14   2.748  12.581   3.724
  129    H    SER  15           H        SER  15   0.476   8.461  -4.138
  130    HA   SER  15           HA       SER  15  -0.307   5.732  -4.849
  131   1HB   SER  15          2HB       SER  15   0.799   6.317  -7.040
  132   2HB   SER  15          1HB       SER  15  -0.261   7.613  -6.546
  133    HG   SER  15           HG       SER  15   2.411   7.665  -6.817
  134    H    ASP  16           H        ASP  16   2.505   7.501  -3.804
  135    HA   ASP  16           HA       ASP  16   4.434   5.398  -4.233
  136   1HB   ASP  16          1HB       ASP  16   5.822   6.863  -2.632
  137   2HB   ASP  16          2HB       ASP  16   5.245   7.696  -4.070
  138    H    HIS  17           H        HIS  17   2.215   6.384  -1.707
  139    HA   HIS  17           HA       HIS  17   3.264   4.680   0.338
  140   1HB   HIS  17          1HB       HIS  17   0.522   5.967  -0.124
  141   2HB   HIS  17          2HB       HIS  17   0.759   4.861   1.217
  142    HD1  HIS  17           HD1      HIS  17   0.151   7.532   2.194
  143    HD2  HIS  17           HD2      HIS  17   4.019   6.668   1.197
  144    HE1  HIS  17           HE1      HIS  17   1.550   9.136   3.388
  145    H    LEU  18           H        LEU  18   0.361   4.365  -1.683
  146    HA   LEU  18           HA       LEU  18  -0.410   1.778  -1.299
  147   1HB   LEU  18          1HB       LEU  18  -1.574   3.298  -2.832
  148   2HB   LEU  18          2HB       LEU  18  -0.204   3.300  -3.941
  149    HG   LEU  18           HG       LEU  18  -0.572   0.762  -4.192
  150   1HD1  LEU  18          1HD1      LEU  18  -3.183   1.382  -2.812
  151   2HD1  LEU  18          2HD1      LEU  18  -1.888   0.372  -2.167
  152   3HD1  LEU  18          3HD1      LEU  18  -2.727  -0.104  -3.621
  153   1HD2  LEU  18          1HD2      LEU  18  -1.321   2.391  -5.917
  154   2HD2  LEU  18          2HD2      LEU  18  -2.846   2.591  -5.069
  155   3HD2  LEU  18          3HD2      LEU  18  -2.434   1.043  -5.787
  156    H    LYS  19           H        LYS  19   1.981   2.736  -3.739
  157    HA   LYS  19           HA       LYS  19   2.773   0.241  -4.660
  158   1HB   LYS  19          1HB       LYS  19   3.390   2.552  -5.522
  159   2HB   LYS  19          2HB       LYS  19   4.557   2.677  -4.225
  160   1HG   LYS  19          2HG       LYS  19   5.780   0.707  -5.129
  161   2HG   LYS  19          1HG       LYS  19   4.565   0.523  -6.386
  162   1HD   LYS  19          2HD       LYS  19   5.073   2.869  -7.165
  163   2HD   LYS  19          1HD       LYS  19   6.344   2.961  -5.960
  164   1HE   LYS  19          2HE       LYS  19   7.517   1.053  -7.036
  165   2HE   LYS  19          1HE       LYS  19   6.237   0.944  -8.237
  166   1HZ   LYS  19          1HZ       LYS  19   7.113   3.594  -8.127
  167   2HZ   LYS  19          2HZ       LYS  19   7.242   2.489  -9.408
  168   3HZ   LYS  19          3HZ       LYS  19   8.480   2.596  -8.247
  169    H    THR  20           H        THR  20   4.641   2.090  -2.220
  170    HA   THR  20           HA       THR  20   6.462   0.207  -1.422
  171    HB   THR  20           HB       THR  20   4.929   2.159   0.420
  172    HG1  THR  20           HG1      THR  20   5.840   3.220  -1.189
  173   1HG2  THR  20          1HG2      THR  20   7.776   1.007   0.617
  174   2HG2  THR  20          2HG2      THR  20   6.468   0.476   1.660
  175   3HG2  THR  20          3HG2      THR  20   7.040   2.132   1.749
  176    H    HIS  21           H        HIS  21   3.172   0.461  -0.359
  177    HA   HIS  21           HA       HIS  21   3.239  -1.684   1.529
  178   1HB   HIS  21          1HB       HIS  21   1.417  -0.191   1.825
  179   2HB   HIS  21          2HB       HIS  21   0.984  -0.189   0.131
  180    HD1  HIS  21           HD1      HIS  21   0.725  -2.392   3.134
  181    HD2  HIS  21           HD2      HIS  21  -0.619  -2.338  -0.735
  182    HE1  HIS  21           HE1      HIS  21  -0.908  -4.240   2.929
  183    H    THR  22           H        THR  22   1.781  -1.634  -1.702
  184    HA   THR  22           HA       THR  22   0.952  -4.268  -1.864
  185    HB   THR  22           HB       THR  22   2.027  -2.746  -4.273
  186    HG1  THR  22           HG1      THR  22   0.184  -2.028  -2.481
  187   1HG2  THR  22          1HG2      THR  22  -0.395  -4.583  -3.904
  188   2HG2  THR  22          2HG2      THR  22   1.106  -5.113  -4.642
  189   3HG2  THR  22          3HG2      THR  22   0.138  -3.871  -5.418
  190    H    ARG  23           H        ARG  23   4.148  -2.942  -2.595
  191    HA   ARG  23           HA       ARG  23   5.074  -5.423  -3.669
  192   1HB   ARG  23          1HB       ARG  23   7.337  -4.464  -3.574
  193   2HB   ARG  23          2HB       ARG  23   6.202  -3.315  -4.237
  194   1HG   ARG  23          2HG       ARG  23   6.173  -1.979  -2.280
  195   2HG   ARG  23          1HG       ARG  23   6.888  -3.229  -1.280
  196   1HD   ARG  23          2HD       ARG  23   8.344  -1.889  -3.594
  197   2HD   ARG  23          1HD       ARG  23   8.510  -1.403  -1.910
  198    HE   ARG  23           HE       ARG  23   9.293  -3.768  -1.461
  199   1HH1  ARG  23          1HH1      ARG  23   8.700  -3.921  -4.682
  200   2HH1  ARG  23          2HH1      ARG  23  10.321  -4.313  -5.155
  201   1HH2  ARG  23          2HH2      ARG  23  11.677  -3.570  -2.035
  202   2HH2  ARG  23          1HH2      ARG  23  12.029  -4.091  -3.649
  203    H    THR  24           H        THR  24   3.932  -5.527  -0.902
  204    HA   THR  24           HA       THR  24   6.181  -6.876   0.531
  205    HB   THR  24           HB       THR  24   4.895  -4.828   1.702
  206    HG1  THR  24           HG1      THR  24   4.683  -6.893   3.406
  207   1HG2  THR  24          1HG2      THR  24   2.952  -7.152   2.309
  208   2HG2  THR  24          2HG2      THR  24   2.496  -5.842   1.240
  209   3HG2  THR  24          3HG2      THR  24   2.860  -5.516   2.929
  210    H    HIS  25           H        HIS  25   3.565  -7.272  -1.417
  211    HA   HIS  25           HA       HIS  25   2.490  -9.740  -0.256
  212   1HB   HIS  25          1HB       HIS  25   1.826  -8.167  -2.789
  213   2HB   HIS  25          2HB       HIS  25   1.020  -9.655  -2.346
  214    HD1  HIS  25           HD1      HIS  25   0.195  -9.264   0.417
  215    HD2  HIS  25           HD2      HIS  25   0.088  -6.087  -2.173
  216    HE1  HIS  25           HE1      HIS  25  -1.427  -7.664   1.356
  217    H    THR  26           H        THR  26   4.103  -8.591  -3.144
  218    HA   THR  26           HA       THR  26   5.063 -11.360  -3.749
  219    HB   THR  26           HB       THR  26   4.546  -9.058  -5.726
  220    HG1  THR  26           HG1      THR  26   3.090 -11.336  -5.895
  221   1HG2  THR  26          1HG2      THR  26   5.046 -12.058  -6.198
  222   2HG2  THR  26          2HG2      THR  26   6.281 -10.842  -6.466
  223   3HG2  THR  26          3HG2      THR  26   4.820 -10.835  -7.434
  224    H    GLY  27           H        GLY  27   5.790  -8.017  -3.637
  225   1HA   GLY  27          1HA       GLY  27   7.791  -6.775  -3.911
  226   2HA   GLY  27          2HA       GLY  27   8.260  -7.828  -2.588
  227    H    GLU  28           H        GLU  28   7.683  -8.752  -5.853
  228    HA   GLU  28           HA       GLU  28   9.351 -10.526  -6.668
  229   1HB   GLU  28          1HB       GLU  28   9.719  -8.220  -8.527
  230   2HB   GLU  28          2HB       GLU  28   9.073  -9.812  -8.798
  231   1HG   GLU  28          2HG       GLU  28   7.317  -8.171  -9.213
  232   2HG   GLU  28          1HG       GLU  28   6.895  -9.142  -7.816
  233    H    LYS  29           H        LYS  29  10.511  -7.285  -6.808
  234    HA   LYS  29           HA       LYS  29  13.336  -8.166  -6.346
  235   1HB   LYS  29          1HB       LYS  29  14.001  -6.301  -7.875
  236   2HB   LYS  29          2HB       LYS  29  12.995  -7.488  -8.681
  237   1HG   LYS  29          2HG       LYS  29  10.976  -5.975  -8.201
  238   2HG   LYS  29          1HG       LYS  29  12.108  -4.764  -7.625
  239   1HD   LYS  29          2HD       LYS  29  13.240  -4.751  -9.832
  240   2HD   LYS  29          1HD       LYS  29  12.120  -5.970 -10.420
  241   1HE   LYS  29          2HE       LYS  29  10.209  -4.392  -9.941
  242   2HE   LYS  29          1HE       LYS  29  11.382  -3.170  -9.468
  243   1HZ   LYS  29          1HZ       LYS  29  12.138  -4.191 -11.952
  244   2HZ   LYS  29          2HZ       LYS  29  11.611  -2.624 -11.567
  245   3HZ   LYS  29          3HZ       LYS  29  10.486  -3.812 -12.022
  Start of MODEL    2
    1   1H    LYS   1          1H        LYS   1  -6.612  12.285  -1.417
    2   2H    LYS   1          2H        LYS   1  -8.104  12.963  -1.860
    3   3H    LYS   1          3H        LYS   1  -6.788  13.035  -2.931
    4    HA   LYS   1           HA       LYS   1  -8.758  11.070  -2.711
    5   1HB   LYS   1          2HB       LYS   1  -6.190  11.131  -4.359
    6   2HB   LYS   1          1HB       LYS   1  -7.595  10.142  -4.710
    7   1HG   LYS   1          2HG       LYS   1  -8.981  12.138  -5.076
    8   2HG   LYS   1          1HG       LYS   1  -7.665  13.197  -4.599
    9   1HD   LYS   1          2HD       LYS   1  -6.303  12.259  -6.529
   10   2HD   LYS   1          1HD       LYS   1  -7.729  11.364  -7.027
   11   1HE   LYS   1          2HE       LYS   1  -8.992  13.484  -7.295
   12   2HE   LYS   1          1HE       LYS   1  -7.600  14.400  -6.733
   13   1HZ   LYS   1          1HZ       LYS   1  -6.788  12.721  -8.821
   14   2HZ   LYS   1          2HZ       LYS   1  -6.827  14.417  -8.770
   15   3HZ   LYS   1          3HZ       LYS   1  -8.181  13.553  -9.315
   16    HA   PRO   2           HA       PRO   2  -6.125   7.845  -0.833
   17   1HB   PRO   2          1HB       PRO   2  -7.933   6.042  -0.254
   18   2HB   PRO   2          2HB       PRO   2  -8.044   7.626   0.524
   19   1HG   PRO   2          2HG       PRO   2  -9.637   6.603  -1.870
   20   2HG   PRO   2          1HG       PRO   2 -10.214   7.506  -0.470
   21   1HD   PRO   2          1HD       PRO   2  -9.435   8.692  -2.972
   22   2HD   PRO   2          2HD       PRO   2  -9.648   9.563  -1.433
   23    H    PHE   3           H        PHE   3  -5.627   5.693  -1.307
   24    HA   PHE   3           HA       PHE   3  -5.955   4.842  -4.164
   25   1HB   PHE   3          1HB       PHE   3  -3.496   4.830  -2.353
   26   2HB   PHE   3          2HB       PHE   3  -3.559   3.904  -3.841
   27    HD1  PHE   3           HD1      PHE   3  -3.250   4.974  -5.959
   28    HD2  PHE   3           HD2      PHE   3  -3.742   7.355  -2.457
   29    HE1  PHE   3           HE1      PHE   3  -2.595   6.967  -7.222
   30    HE2  PHE   3           HE2      PHE   3  -3.094   9.354  -3.734
   31    HZ   PHE   3           HZ       PHE   3  -2.521   9.160  -6.117
   32    H    GLN   4           H        GLN   4  -5.717   2.454  -4.385
   33    HA   GLN   4           HA       GLN   4  -6.209   0.966  -1.851
   34   1HB   GLN   4          1HB       GLN   4  -8.439   1.449  -2.795
   35   2HB   GLN   4          2HB       GLN   4  -7.942   0.822  -4.354
   36   1HG   GLN   4          2HG       GLN   4  -7.695  -1.449  -3.434
   37   2HG   GLN   4          1HG       GLN   4  -7.992  -0.868  -1.801
   38   1HE2  GLN   4          2HE2      GLN   4  -9.977  -1.756  -1.260
   39   2HE2  GLN   4          1HE2      GLN   4 -11.377  -1.640  -2.212
   40    H    CYS   5           H        CYS   5  -5.746  -1.184  -1.899
   41    HA   CYS   5           HA       CYS   5  -3.737  -2.015  -3.930
   42   1HB   CYS   5          1HB       CYS   5  -3.062  -2.147  -1.601
   43   2HB   CYS   5          2HB       CYS   5  -4.494  -3.081  -1.187
   44    H    LYS   6           H        LYS   6  -4.232  -3.599  -5.340
   45    HA   LYS   6           HA       LYS   6  -6.968  -4.784  -5.267
   46   1HB   LYS   6          1HB       LYS   6  -4.899  -4.712  -7.498
   47   2HB   LYS   6          2HB       LYS   6  -6.546  -5.294  -7.653
   48   1HG   LYS   6          2HG       LYS   6  -7.415  -3.032  -7.110
   49   2HG   LYS   6          1HG       LYS   6  -5.773  -2.436  -6.935
   50   1HD   LYS   6          2HD       LYS   6  -5.298  -3.096  -9.312
   51   2HD   LYS   6          1HD       LYS   6  -6.964  -3.625  -9.477
   52   1HE   LYS   6          2HE       LYS   6  -7.760  -1.324  -9.018
   53   2HE   LYS   6          1HE       LYS   6  -6.103  -0.780  -8.784
   54   1HZ   LYS   6          1HZ       LYS   6  -6.269  -2.119 -11.238
   55   2HZ   LYS   6          2HZ       LYS   6  -5.927  -0.484 -10.940
   56   3HZ   LYS   6          3HZ       LYS   6  -7.533  -0.990 -11.159
   57    H    THR   7           H        THR   7  -5.028  -5.648  -3.465
   58    HA   THR   7           HA       THR   7  -4.667  -8.476  -4.322
   59    HB   THR   7           HB       THR   7  -2.612  -6.854  -2.704
   60    HG1  THR   7           HG1      THR   7  -1.852  -7.719  -5.119
   61   1HG2  THR   7          1HG2      THR   7  -2.505  -9.570  -4.166
   62   2HG2  THR   7          2HG2      THR   7  -2.604  -9.425  -2.419
   63   3HG2  THR   7          3HG2      THR   7  -1.187  -8.839  -3.278
   64    H    CYS   8           H        CYS   8  -4.922  -6.183  -1.613
   65    HA   CYS   8           HA       CYS   8  -6.130  -8.413   0.000
   66   1HB   CYS   8          1HB       CYS   8  -5.195  -7.347   1.998
   67   2HB   CYS   8          2HB       CYS   8  -3.915  -7.745   0.848
   68    H    GLN   9           H        GLN   9  -6.309  -5.182  -1.055
   69    HA   GLN   9           HA       GLN   9  -8.127  -3.758  -1.336
   70   1HB   GLN   9          1HB       GLN   9  -9.739  -5.577   0.578
   71   2HB   GLN   9          2HB       GLN   9 -10.359  -4.258  -0.368
   72   1HG   GLN   9          2HG       GLN   9  -9.152  -6.790  -1.549
   73   2HG   GLN   9          1HG       GLN   9 -10.852  -6.339  -1.544
   74   1HE2  GLN   9          2HE2      GLN   9  -8.090  -6.256  -3.442
   75   2HE2  GLN   9          1HE2      GLN   9  -8.550  -5.010  -4.500
   76    H    ARG  10           H        ARG  10  -6.124  -3.172   0.120
   77    HA   ARG  10           HA       ARG  10  -7.140  -1.899   2.642
   78   1HB   ARG  10          1HB       ARG  10  -5.173  -3.525   2.785
   79   2HB   ARG  10          2HB       ARG  10  -4.251  -2.417   1.771
   80   1HG   ARG  10          2HG       ARG  10  -4.500  -0.639   3.491
   81   2HG   ARG  10          1HG       ARG  10  -5.488  -1.715   4.472
   82   1HD   ARG  10          2HD       ARG  10  -3.569  -3.297   4.662
   83   2HD   ARG  10          1HD       ARG  10  -2.585  -2.233   3.666
   84    HE   ARG  10           HE       ARG  10  -3.692  -1.433   6.333
   85   1HH1  ARG  10          1HH1      ARG  10  -0.868  -2.551   5.707
   86   2HH1  ARG  10          2HH1      ARG  10   0.064  -1.090   5.763
   87   1HH2  ARG  10          2HH2      ARG  10  -2.776   0.961   5.609
   88   2HH2  ARG  10          1HH2      ARG  10  -1.047   0.948   5.712
   89    H    LYS  11           H        LYS  11  -6.501   0.389   2.847
   90    HA   LYS  11           HA       LYS  11  -6.008   1.584   0.155
   91   1HB   LYS  11          1HB       LYS  11  -7.748   2.627   2.429
   92   2HB   LYS  11          2HB       LYS  11  -7.390   3.532   0.965
   93   1HG   LYS  11          2HG       LYS  11  -8.406   1.686  -0.406
   94   2HG   LYS  11          1HG       LYS  11  -8.750   0.791   1.057
   95   1HD   LYS  11          2HD       LYS  11 -10.790   1.915   0.382
   96   2HD   LYS  11          1HD       LYS  11 -10.211   2.676   1.846
   97   1HE   LYS  11          2HE       LYS  11  -9.189   4.506   0.478
   98   2HE   LYS  11          1HE       LYS  11  -9.803   3.751  -0.985
   99   1HZ   LYS  11          1HZ       LYS  11 -11.904   4.026   0.846
  100   2HZ   LYS  11          2HZ       LYS  11 -11.703   4.770  -0.666
  101   3HZ   LYS  11          3HZ       LYS  11 -11.086   5.509   0.737
  102    H    PHE  12           H        PHE  12  -5.145   3.720   0.151
  103    HA   PHE  12           HA       PHE  12  -3.321   4.433   2.383
  104   1HB   PHE  12          1HB       PHE  12  -2.483   4.080  -0.554
  105   2HB   PHE  12          2HB       PHE  12  -1.424   4.602   0.742
  106    HD1  PHE  12           HD1      PHE  12  -0.855   3.040   2.601
  107    HD2  PHE  12           HD2      PHE  12  -3.252   1.744  -0.675
  108    HE1  PHE  12           HE1      PHE  12  -0.587   0.702   3.318
  109    HE2  PHE  12           HE2      PHE  12  -2.988  -0.579   0.043
  110    HZ   PHE  12           HZ       PHE  12  -1.662  -1.100   2.037
  111    H    SER  13           H        SER  13  -2.083   6.512   1.472
  112    HA   SER  13           HA       SER  13  -4.232   8.477   0.806
  113   1HB   SER  13          2HB       SER  13  -2.635  10.131   1.886
  114   2HB   SER  13          1HB       SER  13  -3.203   8.887   2.984
  115    HG   SER  13           HG       SER  13  -1.080   7.951   1.623
  116    H    ARG  14           H        ARG  14  -0.890   7.629   0.067
  117    HA   ARG  14           HA       ARG  14  -1.015   9.340  -2.397
  118   1HB   ARG  14          1HB       ARG  14   1.405   8.414  -0.790
  119   2HB   ARG  14          2HB       ARG  14   1.469   9.304  -2.304
  120   1HG   ARG  14          2HG       ARG  14   0.457  11.235  -1.422
  121   2HG   ARG  14          1HG       ARG  14   0.088  10.451   0.107
  122   1HD   ARG  14          2HD       ARG  14   2.273  10.653   0.873
  123   2HD   ARG  14          1HD       ARG  14   2.984  10.341  -0.688
  124    HE   ARG  14           HE       ARG  14   1.725  12.957   0.012
  125   1HH1  ARG  14          1HH1      ARG  14   3.546  11.290  -2.277
  126   2HH1  ARG  14          2HH1      ARG  14   4.747  12.521  -2.462
  127   1HH2  ARG  14          2HH2      ARG  14   3.563  14.420   0.217
  128   2HH2  ARG  14          1HH2      ARG  14   4.764  14.311  -1.025
  129    H    SER  15           H        SER  15   0.596   8.477  -4.062
  130    HA   SER  15           HA       SER  15  -0.243   5.727  -4.732
  131   1HB   SER  15          2HB       SER  15   0.758   6.284  -6.979
  132   2HB   SER  15          1HB       SER  15  -0.368   7.510  -6.448
  133    HG   SER  15           HG       SER  15   2.237   7.787  -6.932
  134    H    ASP  16           H        ASP  16   2.706   7.550  -4.011
  135    HA   ASP  16           HA       ASP  16   4.511   5.360  -4.534
  136   1HB   ASP  16          1HB       ASP  16   6.171   6.683  -3.257
  137   2HB   ASP  16          2HB       ASP  16   5.278   7.772  -4.317
  138    H    HIS  17           H        HIS  17   2.437   6.405  -1.922
  139    HA   HIS  17           HA       HIS  17   3.538   4.720   0.105
  140   1HB   HIS  17          1HB       HIS  17   0.711   5.888  -0.251
  141   2HB   HIS  17          2HB       HIS  17   1.165   4.936   1.148
  142    HD1  HIS  17           HD1      HIS  17   0.524   7.701   1.935
  143    HD2  HIS  17           HD2      HIS  17   4.285   6.837   0.595
  144    HE1  HIS  17           HE1      HIS  17   1.976   9.449   2.790
  145    H    LEU  18           H        LEU  18   0.623   4.322  -1.929
  146    HA   LEU  18           HA       LEU  18  -0.050   1.684  -1.398
  147   1HB   LEU  18          1HB       LEU  18  -1.334   3.140  -2.895
  148   2HB   LEU  18          2HB       LEU  18  -0.044   3.134  -4.097
  149    HG   LEU  18           HG       LEU  18  -0.412   0.544  -4.149
  150   1HD1  LEU  18          1HD1      LEU  18  -2.974   1.337  -2.767
  151   2HD1  LEU  18          2HD1      LEU  18  -1.691   0.349  -2.072
  152   3HD1  LEU  18          3HD1      LEU  18  -2.600  -0.239  -3.446
  153   1HD2  LEU  18          1HD2      LEU  18  -1.161   2.105  -5.965
  154   2HD2  LEU  18          2HD2      LEU  18  -2.660   2.403  -5.098
  155   3HD2  LEU  18          3HD2      LEU  18  -2.317   0.808  -5.735
  156    H    LYS  19           H        LYS  19   2.290   2.735  -3.900
  157    HA   LYS  19           HA       LYS  19   3.197   0.248  -4.802
  158   1HB   LYS  19          1HB       LYS  19   3.902   2.565  -5.633
  159   2HB   LYS  19          2HB       LYS  19   4.922   2.721  -4.229
  160   1HG   LYS  19          2HG       LYS  19   5.722   0.245  -5.357
  161   2HG   LYS  19          1HG       LYS  19   5.404   1.256  -6.748
  162   1HD   LYS  19          2HD       LYS  19   7.668   1.746  -6.266
  163   2HD   LYS  19          1HD       LYS  19   6.826   3.087  -5.524
  164   1HE   LYS  19          2HE       LYS  19   6.872   1.127  -3.474
  165   2HE   LYS  19          1HE       LYS  19   8.418   0.946  -4.268
  166   1HZ   LYS  19          1HZ       LYS  19   7.952   3.676  -3.939
  167   2HZ   LYS  19          2HZ       LYS  19   9.136   2.701  -3.209
  168   3HZ   LYS  19          3HZ       LYS  19   7.623   2.890  -2.467
  169    H    THR  20           H        THR  20   4.782   2.154  -2.213
  170    HA   THR  20           HA       THR  20   6.617   0.318  -1.294
  171    HB   THR  20           HB       THR  20   4.876   2.216   0.426
  172    HG1  THR  20           HG1      THR  20   5.910   3.260  -1.186
  173   1HG2  THR  20          1HG2      THR  20   7.745   1.193   0.844
  174   2HG2  THR  20          2HG2      THR  20   6.383   0.561   1.761
  175   3HG2  THR  20          3HG2      THR  20   6.841   2.247   1.921
  176    H    HIS  21           H        HIS  21   3.214   0.469  -0.495
  177    HA   HIS  21           HA       HIS  21   3.150  -1.764   1.298
  178   1HB   HIS  21          1HB       HIS  21   1.321  -0.213   1.397
  179   2HB   HIS  21          2HB       HIS  21   0.934  -0.380  -0.296
  180    HD1  HIS  21           HD1      HIS  21   0.733  -2.363   2.859
  181    HD2  HIS  21           HD2      HIS  21  -0.618  -2.578  -0.999
  182    HE1  HIS  21           HE1      HIS  21  -0.886  -4.230   2.785
  183    H    THR  22           H        THR  22   2.141  -1.735  -2.211
  184    HA   THR  22           HA       THR  22   1.361  -4.304  -2.555
  185    HB   THR  22           HB       THR  22   2.135  -3.981  -4.935
  186    HG1  THR  22           HG1      THR  22   3.969  -2.588  -3.766
  187   1HG2  THR  22          1HG2      THR  22   1.073  -1.375  -3.826
  188   2HG2  THR  22          2HG2      THR  22   0.067  -2.751  -4.225
  189   3HG2  THR  22          3HG2      THR  22   0.969  -1.929  -5.481
  190    H    ARG  23           H        ARG  23   4.558  -3.122  -2.026
  191    HA   ARG  23           HA       ARG  23   5.834  -5.612  -2.750
  192   1HB   ARG  23          1HB       ARG  23   6.747  -2.922  -1.748
  193   2HB   ARG  23          2HB       ARG  23   7.856  -4.255  -1.513
  194   1HG   ARG  23          2HG       ARG  23   8.317  -3.165  -3.663
  195   2HG   ARG  23          1HG       ARG  23   7.780  -4.812  -3.908
  196   1HD   ARG  23          2HD       ARG  23   5.422  -3.838  -4.297
  197   2HD   ARG  23          1HD       ARG  23   6.204  -2.258  -4.377
  198    HE   ARG  23           HE       ARG  23   7.530  -3.153  -6.294
  199   1HH1  ARG  23          1HH1      ARG  23   4.292  -3.780  -5.913
  200   2HH1  ARG  23          2HH1      ARG  23   4.192  -5.050  -7.088
  201   1HH2  ARG  23          2HH2      ARG  23   7.665  -5.226  -7.491
  202   2HH2  ARG  23          1HH2      ARG  23   6.149  -5.889  -7.998
  203    H    THR  24           H        THR  24   3.977  -6.141  -0.987
  204    HA   THR  24           HA       THR  24   5.332  -7.292   1.397
  205    HB   THR  24           HB       THR  24   3.064  -7.048   2.591
  206    HG1  THR  24           HG1      THR  24   2.449  -6.257   0.107
  207   1HG2  THR  24          1HG2      THR  24   4.274  -4.371   1.684
  208   2HG2  THR  24          2HG2      THR  24   4.840  -5.327   3.028
  209   3HG2  THR  24          3HG2      THR  24   3.241  -4.612   3.081
  210    H    HIS  25           H        HIS  25   3.180  -7.337  -1.259
  211    HA   HIS  25           HA       HIS  25   2.324 -10.155  -0.887
  212   1HB   HIS  25          1HB       HIS  25   1.516  -8.106  -3.011
  213   2HB   HIS  25          2HB       HIS  25   0.747  -9.652  -2.710
  214    HD1  HIS  25           HD1      HIS  25   0.116  -9.533   0.199
  215    HD2  HIS  25           HD2      HIS  25  -0.220  -6.188  -2.136
  216    HE1  HIS  25           HE1      HIS  25  -1.453  -8.019   1.362
  217    H    THR  26           H        THR  26   3.748  -7.841  -3.124
  218    HA   THR  26           HA       THR  26   5.183 -10.039  -4.568
  219    HB   THR  26           HB       THR  26   5.413  -8.294  -6.437
  220    HG1  THR  26           HG1      THR  26   4.369  -6.794  -4.333
  221   1HG2  THR  26          1HG2      THR  26   2.517  -8.369  -5.400
  222   2HG2  THR  26          2HG2      THR  26   3.225  -9.661  -6.360
  223   3HG2  THR  26          3HG2      THR  26   3.027  -8.059  -7.051
  224    H    GLY  27           H        GLY  27   5.881  -9.380  -2.120
  225   1HA   GLY  27          1HA       GLY  27   8.445  -7.839  -2.310
  226   2HA   GLY  27          2HA       GLY  27   7.430  -7.873  -0.857
  227    H    GLU  28           H        GLU  28   8.909 -10.069  -3.165
  228    HA   GLU  28           HA       GLU  28   9.368 -12.105  -1.040
  229   1HB   GLU  28          1HB       GLU  28   8.193 -12.809  -3.126
  230   2HB   GLU  28          2HB       GLU  28   9.547 -12.268  -4.089
  231   1HG   GLU  28          2HG       GLU  28   9.655 -14.507  -2.006
  232   2HG   GLU  28          1HG       GLU  28   9.526 -14.758  -3.734
  233    H    LYS  29           H        LYS  29  10.904 -10.618  -3.739
  234    HA   LYS  29           HA       LYS  29  13.245 -10.700  -4.333
  235   1HB   LYS  29          1HB       LYS  29  12.352  -8.439  -3.909
  236   2HB   LYS  29          2HB       LYS  29  12.725  -8.588  -2.213
  237   1HG   LYS  29          2HG       LYS  29  14.421  -7.209  -3.321
  238   2HG   LYS  29          1HG       LYS  29  15.151  -8.671  -2.715
  239   1HD   LYS  29          2HD       LYS  29  15.983  -8.139  -4.981
  240   2HD   LYS  29          1HD       LYS  29  15.132  -9.666  -4.993
  241   1HE   LYS  29          2HE       LYS  29  14.506  -8.254  -6.947
  242   2HE   LYS  29          1HE       LYS  29  13.105  -8.543  -5.935
  243   1HZ   LYS  29          1HZ       LYS  29  14.434  -6.233  -5.040
  244   2HZ   LYS  29          2HZ       LYS  29  12.870  -6.388  -5.685
  245   3HZ   LYS  29          3HZ       LYS  29  14.192  -6.114  -6.715
  Start of MODEL    3
    1   1H    LYS   1          1H        LYS   1  -6.544  10.839  -5.489
    2   2H    LYS   1          2H        LYS   1  -7.932  11.687  -5.977
    3   3H    LYS   1          3H        LYS   1  -7.296  10.460  -6.962
    4    HA   LYS   1           HA       LYS   1  -9.219  10.248  -4.954
    5   1HB   LYS   1          2HB       LYS   1  -7.735   8.119  -6.560
    6   2HB   LYS   1          1HB       LYS   1  -9.253   7.854  -5.734
    7   1HG   LYS   1          2HG       LYS   1 -10.387   9.484  -7.185
    8   2HG   LYS   1          1HG       LYS   1  -8.872   9.854  -8.000
    9   1HD   LYS   1          2HD       LYS   1  -8.667   7.446  -8.669
   10   2HD   LYS   1          1HD       LYS   1 -10.214   7.114  -7.912
   11   1HE   LYS   1          2HE       LYS   1  -9.802   9.070 -10.210
   12   2HE   LYS   1          1HE       LYS   1 -10.409   7.433 -10.379
   13   1HZ   LYS   1          1HZ       LYS   1 -11.901   8.718  -8.395
   14   2HZ   LYS   1          2HZ       LYS   1 -12.416   8.154  -9.912
   15   3HZ   LYS   1          3HZ       LYS   1 -11.835   9.742  -9.747
   16    HA   PRO   2           HA       PRO   2  -6.822   7.574  -1.901
   17   1HB   PRO   2          1HB       PRO   2  -9.115   5.698  -2.297
   18   2HB   PRO   2          2HB       PRO   2  -8.368   6.265  -0.800
   19   1HG   PRO   2          2HG       PRO   2 -10.759   7.273  -1.514
   20   2HG   PRO   2          1HG       PRO   2  -9.539   8.401  -0.915
   21   1HD   PRO   2          1HD       PRO   2 -10.216   7.745  -3.836
   22   2HD   PRO   2          2HD       PRO   2 -10.074   9.349  -3.074
   23    H    PHE   3           H        PHE   3  -5.814   5.647  -2.065
   24    HA   PHE   3           HA       PHE   3  -5.509   4.509  -4.832
   25   1HB   PHE   3          1HB       PHE   3  -3.521   4.875  -2.528
   26   2HB   PHE   3          2HB       PHE   3  -3.131   4.005  -3.997
   27    HD1  PHE   3           HD1      PHE   3  -2.937   5.201  -6.147
   28    HD2  PHE   3           HD2      PHE   3  -3.815   7.316  -2.555
   29    HE1  PHE   3           HE1      PHE   3  -2.427   7.317  -7.269
   30    HE2  PHE   3           HE2      PHE   3  -3.311   9.441  -3.687
   31    HZ   PHE   3           HZ       PHE   3  -2.620   9.445  -6.042
   32    H    GLN   4           H        GLN   4  -5.621   2.224  -4.858
   33    HA   GLN   4           HA       GLN   4  -6.250   0.933  -2.225
   34   1HB   GLN   4          1HB       GLN   4  -8.293   1.483  -3.593
   35   2HB   GLN   4          2HB       GLN   4  -7.670   0.472  -4.881
   36   1HG   GLN   4          2HG       GLN   4  -9.290  -0.833  -3.616
   37   2HG   GLN   4          1HG       GLN   4  -7.701  -1.486  -3.260
   38   1HE2  GLN   4          2HE2      GLN   4  -7.134  -1.595  -1.113
   39   2HE2  GLN   4          1HE2      GLN   4  -7.928  -0.800   0.156
   40    H    CYS   5           H        CYS   5  -5.809  -1.322  -2.052
   41    HA   CYS   5           HA       CYS   5  -3.649  -2.207  -3.905
   42   1HB   CYS   5          1HB       CYS   5  -2.955  -2.245  -1.631
   43   2HB   CYS   5          2HB       CYS   5  -4.445  -2.974  -1.057
   44    H    LYS   6           H        LYS   6  -4.089  -3.974  -5.189
   45    HA   LYS   6           HA       LYS   6  -6.866  -5.055  -5.131
   46   1HB   LYS   6          1HB       LYS   6  -4.719  -4.769  -7.252
   47   2HB   LYS   6          2HB       LYS   6  -6.001  -5.921  -7.502
   48   1HG   LYS   6          2HG       LYS   6  -6.524  -2.987  -6.833
   49   2HG   LYS   6          1HG       LYS   6  -6.367  -3.550  -8.481
   50   1HD   LYS   6          2HD       LYS   6  -8.453  -4.611  -6.494
   51   2HD   LYS   6          1HD       LYS   6  -8.763  -3.400  -7.714
   52   1HE   LYS   6          2HE       LYS   6  -7.803  -6.229  -8.372
   53   2HE   LYS   6          1HE       LYS   6  -9.463  -5.684  -8.465
   54   1HZ   LYS   6          1HZ       LYS   6  -7.917  -3.837  -9.846
   55   2HZ   LYS   6          2HZ       LYS   6  -9.057  -4.929 -10.466
   56   3HZ   LYS   6          3HZ       LYS   6  -7.423  -5.380 -10.353
   57    H    THR   7           H        THR   7  -5.150  -5.848  -3.195
   58    HA   THR   7           HA       THR   7  -4.869  -8.736  -3.810
   59    HB   THR   7           HB       THR   7  -2.757  -7.134  -2.233
   60    HG1  THR   7           HG1      THR   7  -3.245  -7.535  -4.881
   61   1HG2  THR   7          1HG2      THR   7  -2.832  -9.943  -3.528
   62   2HG2  THR   7          2HG2      THR   7  -3.017  -9.699  -1.797
   63   3HG2  THR   7          3HG2      THR   7  -1.506  -9.304  -2.592
   64    H    CYS   8           H        CYS   8  -4.868  -6.269  -1.250
   65    HA   CYS   8           HA       CYS   8  -6.401  -8.208   0.461
   66   1HB   CYS   8          1HB       CYS   8  -5.273  -7.287   2.407
   67   2HB   CYS   8          2HB       CYS   8  -4.063  -7.853   1.255
   68    H    GLN   9           H        GLN   9  -6.164  -5.186  -0.981
   69    HA   GLN   9           HA       GLN   9  -7.599  -3.417  -1.202
   70   1HB   GLN   9          1HB       GLN   9  -9.517  -5.236   0.369
   71   2HB   GLN   9          2HB       GLN   9  -9.952  -3.648  -0.207
   72   1HG   GLN   9          2HG       GLN   9 -10.657  -5.238  -1.889
   73   2HG   GLN   9          1HG       GLN   9  -9.302  -4.352  -2.544
   74   1HE2  GLN   9          2HE2      GLN   9  -7.805  -5.657  -3.566
   75   2HE2  GLN   9          1HE2      GLN   9  -7.527  -7.297  -3.225
   76    H    ARG  10           H        ARG  10  -5.798  -2.851   0.094
   77    HA   ARG  10           HA       ARG  10  -6.535  -1.576   2.689
   78   1HB   ARG  10          1HB       ARG  10  -4.627  -3.330   2.707
   79   2HB   ARG  10          2HB       ARG  10  -3.730  -2.270   1.626
   80   1HG   ARG  10          2HG       ARG  10  -3.687  -0.508   3.318
   81   2HG   ARG  10          1HG       ARG  10  -4.781  -1.404   4.360
   82   1HD   ARG  10          2HD       ARG  10  -3.008  -3.273   4.412
   83   2HD   ARG  10          1HD       ARG  10  -1.924  -2.147   3.600
   84    HE   ARG  10           HE       ARG  10  -3.158  -1.537   6.257
   85   1HH1  ARG  10          2HH2      ARG  10  -1.347   0.172   4.306
   86   2HH1  ARG  10          1HH2      ARG  10   0.123   0.178   5.222
   87   1HH2  ARG  10          1HH1      ARG  10  -0.968  -2.369   7.365
   88   2HH2  ARG  10          2HH1      ARG  10   0.338  -1.294   6.996
   89    H    LYS  11           H        LYS  11  -6.864   0.517   2.291
   90    HA   LYS  11           HA       LYS  11  -5.900   1.625  -0.270
   91   1HB   LYS  11          1HB       LYS  11  -7.409   3.537   0.180
   92   2HB   LYS  11          2HB       LYS  11  -8.267   2.032   0.225
   93   1HG   LYS  11          2HG       LYS  11  -7.342   3.581   2.688
   94   2HG   LYS  11          1HG       LYS  11  -8.942   3.677   2.011
   95   1HD   LYS  11          2HD       LYS  11  -7.699   1.360   3.520
   96   2HD   LYS  11          1HD       LYS  11  -9.188   2.211   3.815
   97   1HE   LYS  11          2HE       LYS  11  -8.746   0.256   1.530
   98   2HE   LYS  11          1HE       LYS  11  -9.786   0.045   2.922
   99   1HZ   LYS  11          1HZ       LYS  11 -10.484   2.445   1.675
  100   2HZ   LYS  11          2HZ       LYS  11 -11.400   1.018   1.813
  101   3HZ   LYS  11          3HZ       LYS  11 -10.350   1.234   0.490
  102    H    PHE  12           H        PHE  12  -5.157   3.847  -0.300
  103    HA   PHE  12           HA       PHE  12  -3.506   4.645   2.036
  104   1HB   PHE  12          1HB       PHE  12  -2.535   4.249  -0.846
  105   2HB   PHE  12          2HB       PHE  12  -1.571   4.928   0.450
  106    HD1  PHE  12           HD1      PHE  12  -0.939   3.550   2.392
  107    HD2  PHE  12           HD2      PHE  12  -3.034   1.773  -0.895
  108    HE1  PHE  12           HE1      PHE  12  -0.377   1.324   3.218
  109    HE2  PHE  12           HE2      PHE  12  -2.456  -0.457  -0.029
  110    HZ   PHE  12           HZ       PHE  12  -1.168  -0.679   2.007
  111    H    SER  13           H        SER  13  -2.483   6.792   1.525
  112    HA   SER  13           HA       SER  13  -4.602   8.660   0.604
  113   1HB   SER  13          2HB       SER  13  -3.184  10.366   1.833
  114   2HB   SER  13          1HB       SER  13  -3.684   9.051   2.881
  115    HG   SER  13           HG       SER  13  -1.199   9.732   2.121
  116    H    ARG  14           H        ARG  14  -1.260   7.776   0.180
  117    HA   ARG  14           HA       ARG  14  -1.056   9.450  -2.294
  118   1HB   ARG  14          1HB       ARG  14   1.180   8.274  -0.578
  119   2HB   ARG  14          2HB       ARG  14   1.391   9.284  -2.001
  120   1HG   ARG  14          2HG       ARG  14   0.254  11.151  -0.898
  121   2HG   ARG  14          1HG       ARG  14   0.093  10.190   0.565
  122   1HD   ARG  14          2HD       ARG  14   2.328  10.407   1.115
  123   2HD   ARG  14          1HD       ARG  14   2.858  10.185  -0.534
  124    HE   ARG  14           HE       ARG  14   1.784  12.767   0.516
  125   1HH1  ARG  14          2HH2      ARG  14   2.298  11.699  -2.427
  126   2HH1  ARG  14          1HH2      ARG  14   3.699  12.636  -2.829
  127   1HH2  ARG  14          1HH1      ARG  14   4.201  13.625   0.508
  128   2HH2  ARG  14          2HH1      ARG  14   4.826  13.745  -1.103
  129    H    SER  15           H        SER  15   0.741   8.385  -3.692
  130    HA   SER  15           HA       SER  15  -0.198   5.645  -4.368
  131   1HB   SER  15          2HB       SER  15   0.740   6.165  -6.631
  132   2HB   SER  15          1HB       SER  15  -0.291   7.469  -6.104
  133    HG   SER  15           HG       SER  15   2.318   7.568  -6.615
  134    H    ASP  16           H        ASP  16   2.462   7.451  -3.143
  135    HA   ASP  16           HA       ASP  16   4.442   5.294  -3.589
  136   1HB   ASP  16          1HB       ASP  16   5.985   6.995  -2.489
  137   2HB   ASP  16          2HB       ASP  16   5.192   7.611  -3.931
  138    H    HIS  17           H        HIS  17   2.068   5.081  -2.018
  139    HA   HIS  17           HA       HIS  17   3.085   4.133   0.594
  140   1HB   HIS  17          1HB       HIS  17   0.442   5.532  -0.160
  141   2HB   HIS  17          2HB       HIS  17   0.612   4.645   1.345
  142    HD1  HIS  17           HD1      HIS  17  -0.003   7.460   1.830
  143    HD2  HIS  17           HD2      HIS  17   3.895   6.384   1.219
  144    HE1  HIS  17           HE1      HIS  17   1.367   9.216   2.808
  145    H    LEU  18           H        LEU  18   0.915   3.959  -2.095
  146    HA   LEU  18           HA       LEU  18  -0.072   1.293  -1.517
  147   1HB   LEU  18          1HB       LEU  18  -1.419   2.868  -2.875
  148   2HB   LEU  18          2HB       LEU  18  -0.117   3.018  -4.047
  149    HG   LEU  18           HG       LEU  18  -0.359   0.513  -4.503
  150   1HD1  LEU  18          1HD1      LEU  18  -2.867   0.797  -2.831
  151   2HD1  LEU  18          2HD1      LEU  18  -1.445  -0.133  -2.385
  152   3HD1  LEU  18          3HD1      LEU  18  -2.383  -0.599  -3.784
  153   1HD2  LEU  18          1HD2      LEU  18  -1.398   2.258  -5.971
  154   2HD2  LEU  18          2HD2      LEU  18  -2.849   2.212  -4.977
  155   3HD2  LEU  18          3HD2      LEU  18  -2.370   0.799  -5.900
  156    H    LYS  19           H        LYS  19   2.221   2.699  -3.894
  157    HA   LYS  19           HA       LYS  19   3.170   0.164  -4.860
  158   1HB   LYS  19          1HB       LYS  19   4.474   2.909  -4.903
  159   2HB   LYS  19          2HB       LYS  19   5.013   1.547  -5.869
  160   1HG   LYS  19          2HG       LYS  19   2.753   1.462  -6.956
  161   2HG   LYS  19          1HG       LYS  19   2.278   2.892  -6.073
  162   1HD   LYS  19          2HD       LYS  19   4.583   2.727  -8.064
  163   2HD   LYS  19          1HD       LYS  19   3.012   3.419  -8.402
  164   1HE   LYS  19          2HE       LYS  19   4.419   5.291  -7.933
  165   2HE   LYS  19          1HE       LYS  19   3.500   5.081  -6.457
  166   1HZ   LYS  19          1HZ       LYS  19   5.809   3.486  -6.339
  167   2HZ   LYS  19          2HZ       LYS  19   5.369   4.798  -5.352
  168   3HZ   LYS  19          3HZ       LYS  19   6.250   5.064  -6.777
  169    H    THR  20           H        THR  20   3.752   1.904  -2.019
  170    HA   THR  20           HA       THR  20   6.372   0.619  -1.458
  171    HB   THR  20           HB       THR  20   4.783   2.714   0.148
  172    HG1  THR  20           HG1      THR  20   7.033   3.539  -0.999
  173   1HG2  THR  20          1HG2      THR  20   7.751   1.892   0.234
  174   2HG2  THR  20          2HG2      THR  20   6.604   1.419   1.478
  175   3HG2  THR  20          3HG2      THR  20   6.987   3.115   1.239
  176    H    HIS  21           H        HIS  21   3.135   0.102  -1.115
  177    HA   HIS  21           HA       HIS  21   3.272  -1.568   1.342
  178   1HB   HIS  21          1HB       HIS  21   1.306  -0.223   1.343
  179   2HB   HIS  21          2HB       HIS  21   0.999  -0.483  -0.367
  180    HD1  HIS  21           HD1      HIS  21   0.793  -2.332   2.881
  181    HD2  HIS  21           HD2      HIS  21  -0.542  -2.781  -0.970
  182    HE1  HIS  21           HE1      HIS  21  -0.787  -4.229   2.880
  183    H    THR  22           H        THR  22   2.090  -1.863  -1.981
  184    HA   THR  22           HA       THR  22   1.436  -4.465  -2.234
  185    HB   THR  22           HB       THR  22   2.200  -4.043  -4.690
  186    HG1  THR  22           HG1      THR  22   3.509  -2.452  -4.855
  187   1HG2  THR  22          1HG2      THR  22   0.441  -1.923  -3.351
  188   2HG2  THR  22          2HG2      THR  22  -0.132  -3.485  -3.900
  189   3HG2  THR  22          3HG2      THR  22   0.456  -2.312  -5.064
  190    H    ARG  23           H        ARG  23   4.610  -3.269  -1.778
  191    HA   ARG  23           HA       ARG  23   5.910  -5.550  -2.953
  192   1HB   ARG  23          1HB       ARG  23   8.000  -4.577  -1.981
  193   2HB   ARG  23          2HB       ARG  23   7.040  -3.331  -2.758
  194   1HG   ARG  23          2HG       ARG  23   6.127  -2.596  -0.618
  195   2HG   ARG  23          1HG       ARG  23   6.892  -3.915   0.242
  196   1HD   ARG  23          2HD       ARG  23   9.146  -2.981  -0.448
  197   2HD   ARG  23          1HD       ARG  23   8.295  -1.585  -1.115
  198    HE   ARG  23           HE       ARG  23   7.359  -1.210   1.170
  199   1HH1  ARG  23          1HH1      ARG  23   8.620  -3.983   1.931
  200   2HH1  ARG  23          2HH1      ARG  23   9.862  -3.454   3.017
  201   1HH2  ARG  23          2HH2      ARG  23   9.592  -0.108   2.018
  202   2HH2  ARG  23          1HH2      ARG  23  10.431  -1.211   3.055
  203    H    THR  24           H        THR  24   3.902  -6.020  -0.881
  204    HA   THR  24           HA       THR  24   5.413  -7.609   1.135
  205    HB   THR  24           HB       THR  24   3.981  -5.700   2.121
  206    HG1  THR  24           HG1      THR  24   3.928  -8.360   2.598
  207   1HG2  THR  24          1HG2      THR  24   1.654  -7.432   1.087
  208   2HG2  THR  24          2HG2      THR  24   2.060  -5.889   0.360
  209   3HG2  THR  24          3HG2      THR  24   1.509  -5.961   2.024
  210    H    HIS  25           H        HIS  25   3.182  -7.417  -1.409
  211    HA   HIS  25           HA       HIS  25   2.273 -10.241  -1.160
  212   1HB   HIS  25          1HB       HIS  25   1.304  -8.068  -3.053
  213   2HB   HIS  25          2HB       HIS  25   0.583  -9.644  -2.806
  214    HD1  HIS  25           HD1      HIS  25   0.121  -9.723   0.145
  215    HD2  HIS  25           HD2      HIS  25  -0.312  -6.257  -1.973
  216    HE1  HIS  25           HE1      HIS  25  -1.384  -8.276   1.478
  217    H    THR  26           H        THR  26   3.631  -7.846  -3.391
  218    HA   THR  26           HA       THR  26   4.712 -10.081  -5.065
  219    HB   THR  26           HB       THR  26   4.198  -7.153  -5.922
  220    HG1  THR  26           HG1      THR  26   2.204  -7.799  -5.959
  221   1HG2  THR  26          1HG2      THR  26   4.374  -9.785  -7.519
  222   2HG2  THR  26          2HG2      THR  26   5.729  -8.677  -7.398
  223   3HG2  THR  26          3HG2      THR  26   4.251  -8.168  -8.196
  224    H    GLY  27           H        GLY  27   5.863  -9.515  -2.774
  225   1HA   GLY  27          1HA       GLY  27   8.426  -8.148  -3.498
  226   2HA   GLY  27          2HA       GLY  27   7.692  -7.979  -1.903
  227    H    GLU  28           H        GLU  28   6.844 -10.410  -1.324
  228    HA   GLU  28           HA       GLU  28   9.256 -12.171  -1.368
  229   1HB   GLU  28          1HB       GLU  28   8.940 -10.986   0.794
  230   2HB   GLU  28          2HB       GLU  28   7.345 -11.692   0.944
  231   1HG   GLU  28          2HG       GLU  28   8.475 -14.000   0.887
  232   2HG   GLU  28          1HG       GLU  28  10.012 -13.164   0.885
  233    H    LYS  29           H        LYS  29   5.894 -12.244  -0.514
  234    HA   LYS  29           HA       LYS  29   5.546 -14.878  -1.924
  235   1HB   LYS  29          1HB       LYS  29   4.093 -13.955   0.598
  236   2HB   LYS  29          2HB       LYS  29   3.887 -15.500  -0.206
  237   1HG   LYS  29          2HG       LYS  29   6.348 -15.983   0.224
  238   2HG   LYS  29          1HG       LYS  29   6.438 -14.474   1.109
  239   1HD   LYS  29          2HD       LYS  29   6.147 -16.235   2.740
  240   2HD   LYS  29          1HD       LYS  29   4.676 -15.292   2.687
  241   1HE   LYS  29          2HE       LYS  29   4.178 -17.726   2.738
  242   2HE   LYS  29          1HE       LYS  29   3.592 -17.019   1.244
  243   1HZ   LYS  29          1HZ       LYS  29   6.250 -17.837   0.874
  244   2HZ   LYS  29          2HZ       LYS  29   4.842 -18.412   0.122
  245   3HZ   LYS  29          3HZ       LYS  29   5.381 -19.114   1.573
  Start of MODEL    4
    1   1H    LYS   1          1H        LYS   1  -8.660  11.194  -2.096
    2   2H    LYS   1          2H        LYS   1 -10.074  11.437  -3.003
    3   3H    LYS   1          3H        LYS   1  -8.703  12.396  -3.292
    4    HA   LYS   1           HA       LYS   1  -9.417   9.976  -4.480
    5   1HB   LYS   1          2HB       LYS   1  -8.384  11.902  -5.645
    6   2HB   LYS   1          1HB       LYS   1  -6.912  11.714  -4.721
    7   1HG   LYS   1          2HG       LYS   1  -6.612  10.715  -6.942
    8   2HG   LYS   1          1HG       LYS   1  -6.571   9.433  -5.756
    9   1HD   LYS   1          2HD       LYS   1  -8.931   8.848  -6.257
   10   2HD   LYS   1          1HD       LYS   1  -9.046  10.200  -7.370
   11   1HE   LYS   1          2HE       LYS   1  -8.652   8.220  -8.686
   12   2HE   LYS   1          1HE       LYS   1  -7.161   9.138  -8.713
   13   1HZ   LYS   1          1HZ       LYS   1  -7.114   7.344  -6.509
   14   2HZ   LYS   1          2HZ       LYS   1  -6.107   7.424  -7.869
   15   3HZ   LYS   1          3HZ       LYS   1  -7.543   6.525  -7.918
   16    HA   PRO   2           HA       PRO   2  -6.791   7.656  -1.424
   17   1HB   PRO   2          1HB       PRO   2  -8.355   5.428  -1.332
   18   2HB   PRO   2          2HB       PRO   2  -8.719   6.862  -0.363
   19   1HG   PRO   2          2HG       PRO   2  -9.825   6.175  -3.152
   20   2HG   PRO   2          1HG       PRO   2 -10.755   6.515  -1.688
   21   1HD   PRO   2          1HD       PRO   2 -10.286   8.504  -3.420
   22   2HD   PRO   2          2HD       PRO   2 -10.076   8.857  -1.689
   23    H    PHE   3           H        PHE   3  -5.866   5.577  -1.696
   24    HA   PHE   3           HA       PHE   3  -5.472   4.628  -4.496
   25   1HB   PHE   3          1HB       PHE   3  -3.437   5.457  -2.404
   26   2HB   PHE   3          2HB       PHE   3  -2.997   4.342  -3.686
   27    HD1  PHE   3           HD1      PHE   3  -3.067   5.053  -6.021
   28    HD2  PHE   3           HD2      PHE   3  -3.896   7.816  -2.900
   29    HE1  PHE   3           HE1      PHE   3  -2.756   6.916  -7.597
   30    HE2  PHE   3           HE2      PHE   3  -3.604   9.682  -4.463
   31    HZ   PHE   3           HZ       PHE   3  -3.040   9.240  -6.820
   32    H    GLN   4           H        GLN   4  -6.235   2.573  -4.418
   33    HA   GLN   4           HA       GLN   4  -5.791   1.058  -1.875
   34   1HB   GLN   4          1HB       GLN   4  -8.150   1.312  -2.395
   35   2HB   GLN   4          2HB       GLN   4  -7.908   0.736  -4.031
   36   1HG   GLN   4          2HG       GLN   4  -7.418  -1.534  -3.246
   37   2HG   GLN   4          1HG       GLN   4  -7.412  -1.016  -1.570
   38   1HE2  GLN   4          2HE2      GLN   4  -9.225  -1.858  -0.610
   39   2HE2  GLN   4          1HE2      GLN   4 -10.781  -1.850  -1.285
   40    H    CYS   5           H        CYS   5  -5.404  -1.046  -1.855
   41    HA   CYS   5           HA       CYS   5  -3.515  -2.092  -3.869
   42   1HB   CYS   5          1HB       CYS   5  -2.773  -2.034  -1.543
   43   2HB   CYS   5          2HB       CYS   5  -4.211  -2.919  -1.042
   44    H    LYS   6           H        LYS   6  -4.559  -3.241  -5.376
   45    HA   LYS   6           HA       LYS   6  -7.159  -4.501  -4.820
   46   1HB   LYS   6          1HB       LYS   6  -7.146  -4.919  -7.283
   47   2HB   LYS   6          2HB       LYS   6  -6.854  -3.243  -6.893
   48   1HG   LYS   6          2HG       LYS   6  -5.089  -3.404  -8.348
   49   2HG   LYS   6          1HG       LYS   6  -4.245  -4.123  -7.002
   50   1HD   LYS   6          2HD       LYS   6  -3.857  -5.546  -8.864
   51   2HD   LYS   6          1HD       LYS   6  -4.965  -6.429  -7.858
   52   1HE   LYS   6          2HE       LYS   6  -5.761  -6.614 -10.130
   53   2HE   LYS   6          1HE       LYS   6  -6.863  -5.495  -9.351
   54   1HZ   LYS   6          1HZ       LYS   6  -4.679  -4.056 -10.367
   55   2HZ   LYS   6          2HZ       LYS   6  -6.313  -3.967 -10.818
   56   3HZ   LYS   6          3HZ       LYS   6  -5.276  -5.071 -11.588
   57    H    THR   7           H        THR   7  -4.735  -5.398  -3.543
   58    HA   THR   7           HA       THR   7  -4.559  -8.196  -4.528
   59    HB   THR   7           HB       THR   7  -2.452  -6.653  -2.883
   60    HG1  THR   7           HG1      THR   7  -3.181  -6.636  -5.498
   61   1HG2  THR   7          1HG2      THR   7  -2.324  -9.193  -4.613
   62   2HG2  THR   7          2HG2      THR   7  -2.343  -9.234  -2.853
   63   3HG2  THR   7          3HG2      THR   7  -1.002  -8.486  -3.706
   64    H    CYS   8           H        CYS   8  -4.761  -6.083  -1.653
   65    HA   CYS   8           HA       CYS   8  -5.812  -8.458  -0.127
   66   1HB   CYS   8          1HB       CYS   8  -4.924  -7.469   1.907
   67   2HB   CYS   8          2HB       CYS   8  -3.627  -7.635   0.726
   68    H    GLN   9           H        GLN   9  -6.081  -5.116  -0.807
   69    HA   GLN   9           HA       GLN   9  -8.013  -3.813  -1.104
   70   1HB   GLN   9          1HB       GLN   9  -9.449  -5.629   0.944
   71   2HB   GLN   9          2HB       GLN   9 -10.159  -4.315   0.059
   72   1HG   GLN   9          2HG       GLN   9  -9.166  -6.934  -1.150
   73   2HG   GLN   9          1HG       GLN   9 -10.799  -6.311  -1.108
   74   1HE2  GLN   9          2HE2      GLN   9  -8.263  -6.717  -3.156
   75   2HE2  GLN   9          1HE2      GLN   9  -8.575  -5.458  -4.251
   76    H    ARG  10           H        ARG  10  -6.046  -2.981   0.053
   77    HA   ARG  10           HA       ARG  10  -6.823  -1.718   2.669
   78   1HB   ARG  10          1HB       ARG  10  -4.902  -3.270   2.872
   79   2HB   ARG  10          2HB       ARG  10  -4.065  -2.436   1.564
   80   1HG   ARG  10          2HG       ARG  10  -3.757  -0.460   2.899
   81   2HG   ARG  10          1HG       ARG  10  -4.901  -1.006   4.113
   82   1HD   ARG  10          2HD       ARG  10  -3.411  -2.891   4.730
   83   2HD   ARG  10          1HD       ARG  10  -2.293  -2.433   3.454
   84    HE   ARG  10           HE       ARG  10  -2.819  -0.377   5.504
   85   1HH1  ARG  10          1HH1      ARG  10  -0.348  -0.480   3.733
   86   2HH1  ARG  10          2HH1      ARG  10   0.834  -1.084   4.838
   87   1HH2  ARG  10          2HH2      ARG  10  -1.535  -2.205   7.134
   88   2HH2  ARG  10          1HH2      ARG  10   0.160  -2.072   6.791
   89    H    LYS  11           H        LYS  11  -6.521   0.553   2.731
   90    HA   LYS  11           HA       LYS  11  -6.029   1.756   0.038
   91   1HB   LYS  11          1HB       LYS  11  -7.469   3.649   0.814
   92   2HB   LYS  11          2HB       LYS  11  -8.317   2.118   0.763
   93   1HG   LYS  11          2HG       LYS  11  -8.066   1.834   3.188
   94   2HG   LYS  11          1HG       LYS  11  -7.082   3.286   3.295
   95   1HD   LYS  11          2HD       LYS  11  -8.999   4.641   2.470
   96   2HD   LYS  11          1HD       LYS  11  -9.979   3.190   2.355
   97   1HE   LYS  11          2HE       LYS  11  -9.754   2.824   4.799
   98   2HE   LYS  11          1HE       LYS  11  -8.708   4.232   4.930
   99   1HZ   LYS  11          1HZ       LYS  11 -11.030   4.999   3.593
  100   2HZ   LYS  11          2HZ       LYS  11 -10.476   5.483   5.123
  101   3HZ   LYS  11          3HZ       LYS  11 -11.495   4.131   4.980
  102    H    PHE  12           H        PHE  12  -5.229   3.881  -0.024
  103    HA   PHE  12           HA       PHE  12  -3.446   4.740   2.178
  104   1HB   PHE  12          1HB       PHE  12  -2.618   4.187  -0.730
  105   2HB   PHE  12          2HB       PHE  12  -1.572   4.908   0.474
  106    HD1  PHE  12           HD1      PHE  12  -0.996   3.593   2.551
  107    HD2  PHE  12           HD2      PHE  12  -3.084   1.767  -0.697
  108    HE1  PHE  12           HE1      PHE  12  -0.506   1.386   3.466
  109    HE2  PHE  12           HE2      PHE  12  -2.587  -0.453   0.244
  110    HZ   PHE  12           HZ       PHE  12  -1.312  -0.640   2.300
  111    H    SER  13           H        SER  13  -2.352   6.860   1.340
  112    HA   SER  13           HA       SER  13  -4.558   8.671   0.467
  113   1HB   SER  13          2HB       SER  13  -3.216  10.468   1.565
  114   2HB   SER  13          1HB       SER  13  -3.468   9.157   2.702
  115    HG   SER  13           HG       SER  13  -1.158  10.064   1.677
  116    H    ARG  14           H        ARG  14  -1.305   7.659  -0.160
  117    HA   ARG  14           HA       ARG  14  -1.261   9.238  -2.701
  118   1HB   ARG  14          1HB       ARG  14   1.055   8.398  -0.913
  119   2HB   ARG  14          2HB       ARG  14   1.186   9.283  -2.428
  120   1HG   ARG  14          2HG       ARG  14   0.069  11.193  -1.593
  121   2HG   ARG  14          1HG       ARG  14  -0.487  10.365  -0.154
  122   1HD   ARG  14          2HD       ARG  14   1.800  10.164   0.672
  123   2HD   ARG  14          1HD       ARG  14   2.457  10.862  -0.776
  124    HE   ARG  14           HE       ARG  14   1.185  12.956  -0.160
  125   1HH1  ARG  14          2HH2      ARG  14  -0.043  11.022   2.156
  126   2HH1  ARG  14          1HH2      ARG  14   0.604  11.883   3.502
  127   1HH2  ARG  14          1HH1      ARG  14   2.806  13.800   1.614
  128   2HH2  ARG  14          2HH1      ARG  14   2.234  13.448   3.210
  129    H    SER  15           H        SER  15   0.288   8.310  -4.287
  130    HA   SER  15           HA       SER  15  -0.456   5.509  -4.823
  131   1HB   SER  15          2HB       SER  15   0.508   5.977  -7.093
  132   2HB   SER  15          1HB       SER  15  -0.525   7.302  -6.613
  133    HG   SER  15           HG       SER  15   1.145   8.549  -6.643
  134    H    ASP  16           H        ASP  16   2.350   7.450  -4.017
  135    HA   ASP  16           HA       ASP  16   4.356   5.423  -4.371
  136   1HB   ASP  16          1HB       ASP  16   5.621   6.935  -2.607
  137   2HB   ASP  16          2HB       ASP  16   5.221   7.671  -4.154
  138    H    HIS  17           H        HIS  17   2.223   6.493  -1.790
  139    HA   HIS  17           HA       HIS  17   3.175   4.823   0.264
  140   1HB   HIS  17          1HB       HIS  17   0.369   5.886  -0.355
  141   2HB   HIS  17          2HB       HIS  17   0.654   4.901   1.066
  142    HD1  HIS  17           HD1      HIS  17  -0.192   7.459   1.929
  143    HD2  HIS  17           HD2      HIS  17   3.730   7.056   0.864
  144    HE1  HIS  17           HE1      HIS  17   1.016   9.304   2.998
  145    H    LEU  18           H        LEU  18   0.428   4.252  -1.897
  146    HA   LEU  18           HA       LEU  18  -0.195   1.636  -1.362
  147   1HB   LEU  18          1HB       LEU  18  -1.338   3.065  -3.044
  148   2HB   LEU  18          2HB       LEU  18   0.045   2.925  -4.122
  149    HG   LEU  18           HG       LEU  18  -0.332   0.415  -4.157
  150   1HD1  LEU  18          1HD1      LEU  18  -2.911   1.159  -2.751
  151   2HD1  LEU  18          2HD1      LEU  18  -1.607   0.210  -2.045
  152   3HD1  LEU  18          3HD1      LEU  18  -2.493  -0.410  -3.415
  153   1HD2  LEU  18          1HD2      LEU  18  -1.143   1.916  -5.968
  154   2HD2  LEU  18          2HD2      LEU  18  -2.634   2.199  -5.079
  155   3HD2  LEU  18          3HD2      LEU  18  -2.271   0.596  -5.707
  156    H    LYS  19           H        LYS  19   2.240   2.613  -3.774
  157    HA   LYS  19           HA       LYS  19   3.269   0.121  -4.472
  158   1HB   LYS  19          1HB       LYS  19   3.998   2.212  -5.570
  159   2HB   LYS  19          2HB       LYS  19   4.697   2.793  -4.080
  160   1HG   LYS  19          2HG       LYS  19   6.287   0.730  -4.208
  161   2HG   LYS  19          1HG       LYS  19   5.684   0.507  -5.832
  162   1HD   LYS  19          2HD       LYS  19   7.746   1.804  -5.961
  163   2HD   LYS  19          1HD       LYS  19   6.416   2.862  -6.378
  164   1HE   LYS  19          2HE       LYS  19   8.061   3.936  -4.797
  165   2HE   LYS  19          1HE       LYS  19   6.449   3.891  -4.118
  166   1HZ   LYS  19          1HZ       LYS  19   7.797   1.516  -3.453
  167   2HZ   LYS  19          2HZ       LYS  19   7.240   2.735  -2.413
  168   3HZ   LYS  19          3HZ       LYS  19   8.797   2.832  -3.078
  169    H    THR  20           H        THR  20   4.677   2.201  -1.965
  170    HA   THR  20           HA       THR  20   6.582   0.565  -0.886
  171    HB   THR  20           HB       THR  20   4.624   2.260   0.793
  172    HG1  THR  20           HG1      THR  20   6.902   3.436   0.055
  173   1HG2  THR  20          1HG2      THR  20   7.633   1.667   1.074
  174   2HG2  THR  20          2HG2      THR  20   6.414   0.868   2.053
  175   3HG2  THR  20          3HG2      THR  20   6.660   2.601   2.199
  176    H    HIS  21           H        HIS  21   3.209   0.509  -0.154
  177    HA   HIS  21           HA       HIS  21   3.243  -1.644   1.733
  178   1HB   HIS  21          1HB       HIS  21   1.350  -0.240   1.816
  179   2HB   HIS  21          2HB       HIS  21   1.034  -0.333   0.098
  180    HD1  HIS  21           HD1      HIS  21   0.744  -2.432   3.167
  181    HD2  HIS  21           HD2      HIS  21  -0.519  -2.541  -0.736
  182    HE1  HIS  21           HE1      HIS  21  -0.855  -4.305   2.986
  183    H    THR  22           H        THR  22   2.178  -1.770  -1.695
  184    HA   THR  22           HA       THR  22   1.459  -4.377  -1.933
  185    HB   THR  22           HB       THR  22   2.181  -4.068  -4.347
  186    HG1  THR  22           HG1      THR  22   3.570  -2.594  -4.715
  187   1HG2  THR  22          1HG2      THR  22   0.687  -1.714  -3.075
  188   2HG2  THR  22          2HG2      THR  22  -0.071  -3.209  -3.567
  189   3HG2  THR  22          3HG2      THR  22   0.624  -2.140  -4.773
  190    H    ARG  23           H        ARG  23   4.664  -3.208  -1.588
  191    HA   ARG  23           HA       ARG  23   6.159  -5.273  -2.683
  192   1HB   ARG  23          1HB       ARG  23   6.746  -3.735  -0.103
  193   2HB   ARG  23          2HB       ARG  23   7.953  -4.619  -1.022
  194   1HG   ARG  23          2HG       ARG  23   7.579  -3.173  -2.983
  195   2HG   ARG  23          1HG       ARG  23   6.304  -2.315  -2.141
  196   1HD   ARG  23          2HD       ARG  23   8.003  -1.599  -0.404
  197   2HD   ARG  23          1HD       ARG  23   9.252  -2.334  -1.409
  198    HE   ARG  23           HE       ARG  23   7.452  -0.160  -2.422
  199   1HH1  ARG  23          1HH1      ARG  23   9.420  -1.695  -4.177
  200   2HH1  ARG  23          2HH1      ARG  23  10.734  -0.568  -4.263
  201   1HH2  ARG  23          2HH2      ARG  23   9.550   1.300  -1.536
  202   2HH2  ARG  23          1HH2      ARG  23  10.812   1.180  -2.718
  203    H    THR  24           H        THR  24   4.130  -5.554   0.043
  204    HA   THR  24           HA       THR  24   5.520  -7.894   1.176
  205    HB   THR  24           HB       THR  24   4.344  -6.196   2.654
  206    HG1  THR  24           HG1      THR  24   4.222  -8.860   2.639
  207   1HG2  THR  24          1HG2      THR  24   1.808  -7.521   1.528
  208   2HG2  THR  24          2HG2      THR  24   2.280  -5.887   1.117
  209   3HG2  THR  24          3HG2      THR  24   1.866  -6.288   2.774
  210    H    HIS  25           H        HIS  25   3.505  -7.429  -1.381
  211    HA   HIS  25           HA       HIS  25   2.313 -10.162  -1.293
  212   1HB   HIS  25          1HB       HIS  25   1.465  -7.828  -3.046
  213   2HB   HIS  25          2HB       HIS  25   0.673  -9.383  -2.886
  214    HD1  HIS  25           HD1      HIS  25   0.354  -9.494   0.172
  215    HD2  HIS  25           HD2      HIS  25  -0.313  -6.119  -2.027
  216    HE1  HIS  25           HE1      HIS  25  -1.181  -8.082   1.511
  217    H    THR  26           H        THR  26   3.909  -7.717  -3.203
  218    HA   THR  26           HA       THR  26   4.729  -9.757  -5.234
  219    HB   THR  26           HB       THR  26   4.674  -6.689  -5.543
  220    HG1  THR  26           HG1      THR  26   2.615  -7.053  -5.739
  221   1HG2  THR  26          1HG2      THR  26   4.609  -8.971  -7.616
  222   2HG2  THR  26          2HG2      THR  26   6.062  -8.049  -7.276
  223   3HG2  THR  26          3HG2      THR  26   4.662  -7.250  -7.960
  224    H    GLY  27           H        GLY  27   5.992  -9.612  -2.774
  225   1HA   GLY  27          1HA       GLY  27   8.757  -8.654  -3.465
  226   2HA   GLY  27          2HA       GLY  27   8.111  -8.594  -1.825
  227    H    GLU  28           H        GLU  28   7.996 -11.059  -4.364
  228    HA   GLU  28           HA       GLU  28   9.110 -13.075  -2.487
  229   1HB   GLU  28          1HB       GLU  28   6.916 -13.047  -4.535
  230   2HB   GLU  28          2HB       GLU  28   7.782 -14.530  -4.316
  231   1HG   GLU  28          2HG       GLU  28   5.717 -14.373  -2.868
  232   2HG   GLU  28          1HG       GLU  28   7.168 -14.576  -1.910
  233    H    LYS  29           H        LYS  29   9.968 -14.978  -3.867
  234    HA   LYS  29           HA       LYS  29  11.809 -13.892  -5.971
  235   1HB   LYS  29          1HB       LYS  29  13.512 -15.445  -5.123
  236   2HB   LYS  29          2HB       LYS  29  12.932 -14.451  -3.803
  237   1HG   LYS  29          2HG       LYS  29  11.368 -16.319  -3.133
  238   2HG   LYS  29          1HG       LYS  29  12.064 -17.318  -4.397
  239   1HD   LYS  29          2HD       LYS  29  14.346 -16.935  -3.318
  240   2HD   LYS  29          1HD       LYS  29  13.515 -16.117  -2.009
  241   1HE   LYS  29          2HE       LYS  29  13.903 -18.434  -1.345
  242   2HE   LYS  29          1HE       LYS  29  12.178 -18.230  -1.602
  243   1HZ   LYS  29          1HZ       LYS  29  13.371 -18.949  -4.032
  244   2HZ   LYS  29          2HZ       LYS  29  12.246 -19.816  -3.102
  245   3HZ   LYS  29          3HZ       LYS  29  13.908 -20.024  -2.834
  Start of MODEL    5
    1   1H    LYS   1          1H        LYS   1  -5.700  11.652  -3.786
    2   2H    LYS   1          2H        LYS   1  -6.916  12.831  -3.922
    3   3H    LYS   1          3H        LYS   1  -6.323  12.061  -5.311
    4    HA   LYS   1           HA       LYS   1  -8.460  11.338  -3.698
    5   1HB   LYS   1          2HB       LYS   1  -8.704   9.529  -5.458
    6   2HB   LYS   1          1HB       LYS   1  -8.434  11.117  -6.141
    7   1HG   LYS   1          2HG       LYS   1  -6.010  10.592  -6.440
    8   2HG   LYS   1          1HG       LYS   1  -6.250   9.019  -5.704
    9   1HD   LYS   1          2HD       LYS   1  -7.758   8.332  -7.509
   10   2HD   LYS   1          1HD       LYS   1  -7.701   9.935  -8.220
   11   1HE   LYS   1          2HE       LYS   1  -5.263   8.133  -7.889
   12   2HE   LYS   1          1HE       LYS   1  -6.166   8.323  -9.383
   13   1HZ   LYS   1          1HZ       LYS   1  -5.558  10.869  -8.413
   14   2HZ   LYS   1          2HZ       LYS   1  -5.009  10.111  -9.828
   15   3HZ   LYS   1          3HZ       LYS   1  -4.135   9.943  -8.380
   16    HA   PRO   2           HA       PRO   2  -6.916   7.702  -1.402
   17   1HB   PRO   2          1HB       PRO   2  -9.393   6.275  -2.241
   18   2HB   PRO   2          2HB       PRO   2  -8.804   6.641  -0.622
   19   1HG   PRO   2          2HG       PRO   2 -10.910   8.019  -1.596
   20   2HG   PRO   2          1HG       PRO   2  -9.664   8.902  -0.704
   21   1HD   PRO   2          1HD       PRO   2  -9.890   8.581  -3.745
   22   2HD   PRO   2          2HD       PRO   2  -9.741  10.079  -2.793
   23    H    PHE   3           H        PHE   3  -5.983   5.830  -1.739
   24    HA   PHE   3           HA       PHE   3  -5.816   4.721  -4.524
   25   1HB   PHE   3          1HB       PHE   3  -3.656   5.079  -2.398
   26   2HB   PHE   3          2HB       PHE   3  -3.421   4.123  -3.848
   27    HD1  PHE   3           HD1      PHE   3  -3.347   5.232  -6.065
   28    HD2  PHE   3           HD2      PHE   3  -3.778   7.499  -2.484
   29    HE1  PHE   3           HE1      PHE   3  -2.770   7.271  -7.292
   30    HE2  PHE   3           HE2      PHE   3  -3.211   9.546  -3.715
   31    HZ   PHE   3           HZ       PHE   3  -2.711   9.439  -6.119
   32    H    GLN   4           H        GLN   4  -5.584   2.396  -4.548
   33    HA   GLN   4           HA       GLN   4  -5.991   1.059  -1.922
   34   1HB   GLN   4          1HB       GLN   4  -8.251   1.447  -2.806
   35   2HB   GLN   4          2HB       GLN   4  -7.797   0.761  -4.353
   36   1HG   GLN   4          2HG       GLN   4  -7.463  -1.475  -3.286
   37   2HG   GLN   4          1HG       GLN   4  -7.844  -0.787  -1.715
   38   1HE2  GLN   4          2HE2      GLN   4  -9.813  -1.717  -1.209
   39   2HE2  GLN   4          1HE2      GLN   4 -11.176  -1.695  -2.221
   40    H    CYS   5           H        CYS   5  -5.556  -1.068  -1.843
   41    HA   CYS   5           HA       CYS   5  -3.588  -2.057  -3.861
   42   1HB   CYS   5          1HB       CYS   5  -2.870  -2.087  -1.496
   43   2HB   CYS   5          2HB       CYS   5  -4.288  -3.029  -1.061
   44    H    LYS   6           H        LYS   6  -4.499  -3.280  -5.355
   45    HA   LYS   6           HA       LYS   6  -7.133  -4.549  -4.886
   46   1HB   LYS   6          1HB       LYS   6  -6.414  -3.099  -6.925
   47   2HB   LYS   6          2HB       LYS   6  -5.502  -4.498  -7.446
   48   1HG   LYS   6          2HG       LYS   6  -7.609  -5.845  -7.500
   49   2HG   LYS   6          1HG       LYS   6  -8.508  -4.437  -6.948
   50   1HD   LYS   6          2HD       LYS   6  -7.642  -3.178  -8.981
   51   2HD   LYS   6          1HD       LYS   6  -6.911  -4.668  -9.543
   52   1HE   LYS   6          2HE       LYS   6  -9.068  -4.383 -10.654
   53   2HE   LYS   6          1HE       LYS   6  -9.212  -5.730  -9.535
   54   1HZ   LYS   6          1HZ       LYS   6  -9.828  -3.365  -8.169
   55   2HZ   LYS   6          2HZ       LYS   6 -10.842  -4.680  -8.527
   56   3HZ   LYS   6          3HZ       LYS   6 -10.707  -3.388  -9.620
   57    H    THR   7           H        THR   7  -4.922  -5.473  -3.475
   58    HA   THR   7           HA       THR   7  -4.570  -8.233  -4.525
   59    HB   THR   7           HB       THR   7  -2.568  -6.675  -2.778
   60    HG1  THR   7           HG1      THR   7  -1.760  -7.354  -5.242
   61   1HG2  THR   7          1HG2      THR   7  -2.314  -9.281  -4.388
   62   2HG2  THR   7          2HG2      THR   7  -2.467  -9.234  -2.638
   63   3HG2  THR   7          3HG2      THR   7  -1.054  -8.546  -3.423
   64    H    CYS   8           H        CYS   8  -4.810  -6.099  -1.676
   65    HA   CYS   8           HA       CYS   8  -5.920  -8.443  -0.146
   66   1HB   CYS   8          1HB       CYS   8  -5.070  -7.384   1.890
   67   2HB   CYS   8          2HB       CYS   8  -3.761  -7.684   0.746
   68    H    GLN   9           H        GLN   9  -6.117  -5.096  -0.803
   69    HA   GLN   9           HA       GLN   9  -8.049  -3.768  -1.162
   70   1HB   GLN   9          1HB       GLN   9  -9.516  -5.562   0.886
   71   2HB   GLN   9          2HB       GLN   9 -10.204  -4.227   0.008
   72   1HG   GLN   9          2HG       GLN   9  -9.191  -6.798  -1.297
   73   2HG   GLN   9          1HG       GLN   9 -10.853  -6.286  -1.122
   74   1HE2  GLN   9          2HE2      GLN   9  -8.302  -6.319  -3.284
   75   2HE2  GLN   9          1HE2      GLN   9  -8.828  -5.073  -4.314
   76    H    ARG  10           H        ARG  10  -6.001  -3.049   0.057
   77    HA   ARG  10           HA       ARG  10  -6.753  -1.848   2.707
   78   1HB   ARG  10          1HB       ARG  10  -4.625  -3.252   2.656
   79   2HB   ARG  10          2HB       ARG  10  -3.989  -2.176   1.415
   80   1HG   ARG  10          2HG       ARG  10  -4.017  -0.288   2.953
   81   2HG   ARG  10          1HG       ARG  10  -4.887  -1.210   4.166
   82   1HD   ARG  10          2HD       ARG  10  -2.946  -2.716   4.444
   83   2HD   ARG  10          1HD       ARG  10  -2.084  -1.914   3.156
   84    HE   ARG  10           HE       ARG  10  -1.324  -0.963   5.296
   85   1HH1  ARG  10          2HH2      ARG  10  -4.072  -0.863   6.533
   86   2HH1  ARG  10          1HH2      ARG  10  -4.383   0.841   6.557
   87   1HH2  ARG  10          1HH1      ARG  10  -1.818   1.523   4.265
   88   2HH2  ARG  10          2HH1      ARG  10  -3.072   2.229   5.228
   89    H    LYS  11           H        LYS  11  -6.225   0.484   2.835
   90    HA   LYS  11           HA       LYS  11  -6.211   1.742   0.129
   91   1HB   LYS  11          1HB       LYS  11  -8.421   1.884   1.093
   92   2HB   LYS  11          2HB       LYS  11  -7.805   2.348   2.657
   93   1HG   LYS  11          2HG       LYS  11  -7.392   4.214   0.305
   94   2HG   LYS  11          1HG       LYS  11  -8.960   4.127   1.074
   95   1HD   LYS  11          2HD       LYS  11  -7.843   4.587   3.302
   96   2HD   LYS  11          1HD       LYS  11  -6.321   4.825   2.474
   97   1HE   LYS  11          2HE       LYS  11  -7.366   6.994   2.857
   98   2HE   LYS  11          1HE       LYS  11  -7.387   6.675   1.131
   99   1HZ   LYS  11          1HZ       LYS  11  -9.709   5.597   2.267
  100   2HZ   LYS  11          2HZ       LYS  11  -9.564   6.868   1.151
  101   3HZ   LYS  11          3HZ       LYS  11  -9.536   7.193   2.817
  102    H    PHE  12           H        PHE  12  -5.332   3.890   0.012
  103    HA   PHE  12           HA       PHE  12  -3.417   4.649   2.146
  104   1HB   PHE  12          1HB       PHE  12  -2.721   4.212  -0.804
  105   2HB   PHE  12          2HB       PHE  12  -1.637   4.922   0.373
  106    HD1  PHE  12           HD1      PHE  12  -0.747   3.573   2.232
  107    HD2  PHE  12           HD2      PHE  12  -3.305   1.814  -0.694
  108    HE1  PHE  12           HE1      PHE  12  -0.131   1.338   3.026
  109    HE2  PHE  12           HE2      PHE  12  -2.688  -0.424   0.119
  110    HZ   PHE  12           HZ       PHE  12  -1.105  -0.641   1.977
  111    H    SER  13           H        SER  13  -2.374   6.687   1.610
  112    HA   SER  13           HA       SER  13  -4.397   8.710   0.842
  113   1HB   SER  13          2HB       SER  13  -2.782  10.267   2.061
  114   2HB   SER  13          1HB       SER  13  -3.347   8.959   3.074
  115    HG   SER  13           HG       SER  13  -0.850   9.453   2.203
  116    H    ARG  14           H        ARG  14  -1.194   7.548   0.161
  117    HA   ARG  14           HA       ARG  14  -1.009   9.281  -2.270
  118   1HB   ARG  14          1HB       ARG  14   1.173   8.105  -0.510
  119   2HB   ARG  14          2HB       ARG  14   1.459   8.946  -2.028
  120   1HG   ARG  14          2HG       ARG  14   0.546  11.001  -1.180
  121   2HG   ARG  14          1HG       ARG  14  -0.044  10.214   0.276
  122   1HD   ARG  14          2HD       ARG  14   2.215   9.775   1.036
  123   2HD   ARG  14          1HD       ARG  14   2.920  10.364  -0.444
  124    HE   ARG  14           HE       ARG  14   2.039  12.616   0.146
  125   1HH1  ARG  14          2HH2      ARG  14   2.946  10.382   2.617
  126   2HH1  ARG  14          1HH2      ARG  14   2.593  11.493   3.889
  127   1HH2  ARG  14          1HH1      ARG  14   1.200  13.890   1.789
  128   2HH2  ARG  14          2HH1      ARG  14   1.568  13.482   3.432
  129    H    SER  15           H        SER  15   0.572   8.306  -3.829
  130    HA   SER  15           HA       SER  15  -0.382   5.593  -4.574
  131   1HB   SER  15          2HB       SER  15   0.469   6.226  -6.846
  132   2HB   SER  15          1HB       SER  15  -0.529   7.514  -6.220
  133    HG   SER  15           HG       SER  15   2.088   7.584  -6.791
  134    H    ASP  16           H        ASP  16   2.451   7.476  -3.756
  135    HA   ASP  16           HA       ASP  16   4.453   5.507  -4.348
  136   1HB   ASP  16          1HB       ASP  16   5.775   6.957  -2.584
  137   2HB   ASP  16          2HB       ASP  16   5.235   7.781  -4.041
  138    H    HIS  17           H        HIS  17   2.405   6.336  -1.660
  139    HA   HIS  17           HA       HIS  17   3.429   4.555   0.274
  140   1HB   HIS  17          1HB       HIS  17   0.678   5.801  -0.178
  141   2HB   HIS  17          2HB       HIS  17   0.912   4.673   1.142
  142    HD1  HIS  17           HD1      HIS  17   0.282   7.294   2.193
  143    HD2  HIS  17           HD2      HIS  17   4.156   6.530   1.134
  144    HE1  HIS  17           HE1      HIS  17   1.659   8.894   3.408
  145    H    LEU  18           H        LEU  18   0.613   4.213  -1.858
  146    HA   LEU  18           HA       LEU  18  -0.081   1.578  -1.454
  147   1HB   LEU  18          1HB       LEU  18  -1.264   3.144  -3.009
  148   2HB   LEU  18          2HB       LEU  18   0.064   3.010  -4.155
  149    HG   LEU  18           HG       LEU  18  -0.400   0.496  -4.260
  150   1HD1  LEU  18          1HD1      LEU  18  -2.914   1.277  -2.760
  151   2HD1  LEU  18          2HD1      LEU  18  -1.617   0.281  -2.112
  152   3HD1  LEU  18          3HD1      LEU  18  -2.560  -0.292  -3.464
  153   1HD2  LEU  18          1HD2      LEU  18  -1.245   2.071  -6.005
  154   2HD2  LEU  18          2HD2      LEU  18  -2.693   2.349  -5.052
  155   3HD2  LEU  18          3HD2      LEU  18  -2.374   0.761  -5.727
  156    H    LYS  19           H        LYS  19   2.318   2.653  -3.887
  157    HA   LYS  19           HA       LYS  19   3.184   0.138  -4.751
  158   1HB   LYS  19          1HB       LYS  19   3.933   2.274  -5.794
  159   2HB   LYS  19          2HB       LYS  19   4.848   2.688  -4.356
  160   1HG   LYS  19          2HG       LYS  19   6.285   0.645  -4.720
  161   2HG   LYS  19          1HG       LYS  19   5.370   0.285  -6.172
  162   1HD   LYS  19          2HD       LYS  19   6.075   2.405  -7.199
  163   2HD   LYS  19          1HD       LYS  19   6.909   2.880  -5.730
  164   1HE   LYS  19          2HE       LYS  19   7.615   0.432  -7.414
  165   2HE   LYS  19          1HE       LYS  19   8.494   1.953  -7.418
  166   1HZ   LYS  19          1HZ       LYS  19   8.219   1.116  -4.766
  167   2HZ   LYS  19          2HZ       LYS  19   9.634   1.268  -5.688
  168   3HZ   LYS  19          3HZ       LYS  19   8.781  -0.201  -5.681
  169    H    THR  20           H        THR  20   4.793   2.038  -2.180
  170    HA   THR  20           HA       THR  20   6.670   0.187  -1.356
  171    HB   THR  20           HB       THR  20   4.932   1.908   0.544
  172    HG1  THR  20           HG1      THR  20   7.349   2.860  -0.124
  173   1HG2  THR  20          1HG2      THR  20   7.852   0.958   0.766
  174   2HG2  THR  20          2HG2      THR  20   6.540   0.230   1.677
  175   3HG2  THR  20          3HG2      THR  20   6.979   1.903   1.965
  176    H    HIS  21           H        HIS  21   3.345   0.341  -0.420
  177    HA   HIS  21           HA       HIS  21   3.284  -1.897   1.331
  178   1HB   HIS  21          1HB       HIS  21   1.509  -0.313   1.478
  179   2HB   HIS  21          2HB       HIS  21   1.098  -0.438  -0.214
  180    HD1  HIS  21           HD1      HIS  21   0.797  -2.393   2.944
  181    HD2  HIS  21           HD2      HIS  21  -0.447  -2.646  -0.944
  182    HE1  HIS  21           HE1      HIS  21  -0.858  -4.231   2.854
  183    H    THR  22           H        THR  22   2.096  -1.818  -2.086
  184    HA   THR  22           HA       THR  22   1.266  -4.384  -2.416
  185    HB   THR  22           HB       THR  22   1.993  -4.020  -4.840
  186    HG1  THR  22           HG1      THR  22   3.588  -2.730  -5.058
  187   1HG2  THR  22          1HG2      THR  22   0.697  -1.567  -3.579
  188   2HG2  THR  22          2HG2      THR  22  -0.182  -3.001  -4.055
  189   3HG2  THR  22          3HG2      THR  22   0.617  -2.018  -5.268
  190    H    ARG  23           H        ARG  23   4.477  -3.188  -2.177
  191    HA   ARG  23           HA       ARG  23   5.737  -5.658  -2.985
  192   1HB   ARG  23          1HB       ARG  23   6.491  -2.909  -2.500
  193   2HB   ARG  23          2HB       ARG  23   7.542  -3.892  -1.515
  194   1HG   ARG  23          2HG       ARG  23   8.543  -3.495  -3.713
  195   2HG   ARG  23          1HG       ARG  23   8.210  -5.199  -3.500
  196   1HD   ARG  23          2HD       ARG  23   6.183  -5.023  -4.936
  197   2HD   ARG  23          1HD       ARG  23   6.390  -3.277  -5.031
  198    HE   ARG  23           HE       ARG  23   8.414  -3.627  -6.331
  199   1HH1  ARG  23          2HH2      ARG  23   6.035  -5.505  -7.286
  200   2HH1  ARG  23          1HH2      ARG  23   6.966  -6.876  -7.787
  201   1HH2  ARG  23          1HH1      ARG  23   9.872  -5.720  -6.196
  202   2HH2  ARG  23          2HH1      ARG  23   9.207  -7.000  -7.157
  203    H    THR  24           H        THR  24   3.906  -6.072  -1.014
  204    HA   THR  24           HA       THR  24   5.446  -7.143   1.292
  205    HB   THR  24           HB       THR  24   3.819  -5.188   1.939
  206    HG1  THR  24           HG1      THR  24   4.048  -7.739   2.840
  207   1HG2  THR  24          1HG2      THR  24   1.697  -7.334   1.334
  208   2HG2  THR  24          2HG2      THR  24   1.903  -5.941   0.293
  209   3HG2  THR  24          3HG2      THR  24   1.407  -5.724   1.961
  210    H    HIS  25           H        HIS  25   3.155  -7.376  -1.228
  211    HA   HIS  25           HA       HIS  25   2.413 -10.200  -0.702
  212   1HB   HIS  25          1HB       HIS  25   1.484  -8.311  -2.931
  213   2HB   HIS  25          2HB       HIS  25   0.757  -9.847  -2.497
  214    HD1  HIS  25           HD1      HIS  25   0.111  -9.578   0.358
  215    HD2  HIS  25           HD2      HIS  25  -0.172  -6.315  -2.096
  216    HE1  HIS  25           HE1      HIS  25  -1.433  -8.002   1.466
  217    H    THR  26           H        THR  26   3.740  -7.951  -3.050
  218    HA   THR  26           HA       THR  26   5.226 -10.142  -4.437
  219    HB   THR  26           HB       THR  26   4.378  -7.350  -5.480
  220    HG1  THR  26           HG1      THR  26   3.327  -9.523  -6.674
  221   1HG2  THR  26          1HG2      THR  26   5.431  -9.851  -6.939
  222   2HG2  THR  26          2HG2      THR  26   6.420  -8.436  -6.638
  223   3HG2  THR  26          3HG2      THR  26   5.026  -8.313  -7.690
  224    H    GLY  27           H        GLY  27   6.248  -9.661  -2.242
  225   1HA   GLY  27          1HA       GLY  27   8.382  -7.561  -2.414
  226   2HA   GLY  27          2HA       GLY  27   7.786  -8.288  -0.915
  227    H    GLU  28           H        GLU  28   9.198  -9.040  -3.963
  228    HA   GLU  28           HA       GLU  28  10.063 -11.204  -4.599
  229   1HB   GLU  28          1HB       GLU  28  12.351  -9.435  -3.686
  230   2HB   GLU  28          2HB       GLU  28  12.186 -10.440  -5.112
  231   1HG   GLU  28          2HG       GLU  28  10.606  -7.894  -4.620
  232   2HG   GLU  28          1HG       GLU  28  11.889  -8.114  -5.789
  233    H    LYS  29           H        LYS  29  10.751 -13.094  -4.122
  234    HA   LYS  29           HA       LYS  29  11.891 -13.651  -1.408
  235   1HB   LYS  29          1HB       LYS  29  10.650 -15.827  -3.085
  236   2HB   LYS  29          2HB       LYS  29  10.685 -15.654  -1.343
  237   1HG   LYS  29          2HG       LYS  29   8.931 -14.056  -3.259
  238   2HG   LYS  29          1HG       LYS  29   8.401 -15.359  -2.226
  239   1HD   LYS  29          2HD       LYS  29   8.812 -14.085  -0.209
  240   2HD   LYS  29          1HD       LYS  29   9.592 -12.791  -1.087
  241   1HE   LYS  29          2HE       LYS  29   6.674 -13.622  -1.402
  242   2HE   LYS  29          1HE       LYS  29   7.238 -12.190  -0.556
  243   1HZ   LYS  29          1HZ       LYS  29   8.365 -12.177  -3.111
  244   2HZ   LYS  29          2HZ       LYS  29   7.219 -11.112  -2.447
  245   3HZ   LYS  29          3HZ       LYS  29   6.708 -12.503  -3.276
  Start of MODEL    6
    1   1H    LYS   1          1H        LYS   1  -5.902  11.664  -4.483
    2   2H    LYS   1          2H        LYS   1  -7.352  12.513  -4.736
    3   3H    LYS   1          3H        LYS   1  -6.791  11.417  -5.907
    4    HA   LYS   1           HA       LYS   1  -8.488  10.956  -3.756
    5   1HB   LYS   1          2HB       LYS   1  -7.184   9.147  -5.834
    6   2HB   LYS   1          1HB       LYS   1  -8.447   8.579  -4.769
    7   1HG   LYS   1          2HG       LYS   1  -8.824  10.938  -6.642
    8   2HG   LYS   1          1HG       LYS   1  -9.212   9.285  -7.082
    9   1HD   LYS   1          2HD       LYS   1 -10.723   9.186  -5.019
   10   2HD   LYS   1          1HD       LYS   1 -10.457  10.910  -4.819
   11   1HE   LYS   1          2HE       LYS   1 -11.630   9.606  -7.314
   12   2HE   LYS   1          1HE       LYS   1 -12.560  10.440  -6.080
   13   1HZ   LYS   1          1HZ       LYS   1 -10.485  12.122  -6.900
   14   2HZ   LYS   1          2HZ       LYS   1 -12.159  12.326  -7.101
   15   3HZ   LYS   1          3HZ       LYS   1 -11.253  11.516  -8.288
   16    HA   PRO   2           HA       PRO   2  -5.882   7.999  -1.222
   17   1HB   PRO   2          1HB       PRO   2  -7.746   6.118  -0.782
   18   2HB   PRO   2          2HB       PRO   2  -7.732   7.625   0.143
   19   1HG   PRO   2          2HG       PRO   2  -9.360   6.986  -2.381
   20   2HG   PRO   2          1HG       PRO   2  -9.969   7.591  -0.834
   21   1HD   PRO   2          1HD       PRO   2  -9.464   9.335  -2.811
   22   2HD   PRO   2          2HD       PRO   2  -8.950   9.769  -1.166
   23    H    PHE   3           H        PHE   3  -5.459   5.688  -1.521
   24    HA   PHE   3           HA       PHE   3  -5.609   4.809  -4.382
   25   1HB   PHE   3          1HB       PHE   3  -3.255   4.959  -2.464
   26   2HB   PHE   3          2HB       PHE   3  -3.202   3.993  -3.918
   27    HD1  PHE   3           HD1      PHE   3  -3.318   5.123  -6.149
   28    HD2  PHE   3           HD2      PHE   3  -3.354   7.403  -2.549
   29    HE1  PHE   3           HE1      PHE   3  -2.878   7.161  -7.433
   30    HE2  PHE   3           HE2      PHE   3  -2.924   9.445  -3.838
   31    HZ   PHE   3           HZ       PHE   3  -2.694   9.329  -6.286
   32    H    GLN   4           H        GLN   4  -5.396   2.407  -4.630
   33    HA   GLN   4           HA       GLN   4  -5.998   0.956  -2.091
   34   1HB   GLN   4          1HB       GLN   4  -8.164   1.368  -3.114
   35   2HB   GLN   4          2HB       GLN   4  -7.601   0.787  -4.670
   36   1HG   GLN   4          2HG       GLN   4  -7.382  -1.494  -3.828
   37   2HG   GLN   4          1HG       GLN   4  -7.671  -0.992  -2.170
   38   1HE2  GLN   4          2HE2      GLN   4  -9.697  -1.668  -1.554
   39   2HE2  GLN   4          1HE2      GLN   4 -11.081  -1.650  -2.538
   40    H    CYS   5           H        CYS   5  -5.575  -1.139  -1.983
   41    HA   CYS   5           HA       CYS   5  -3.458  -2.193  -3.785
   42   1HB   CYS   5          1HB       CYS   5  -3.056  -2.187  -1.359
   43   2HB   CYS   5          2HB       CYS   5  -4.516  -3.138  -1.101
   44    H    LYS   6           H        LYS   6  -3.845  -3.792  -5.153
   45    HA   LYS   6           HA       LYS   6  -6.600  -4.922  -5.273
   46   1HB   LYS   6          1HB       LYS   6  -4.349  -4.926  -7.321
   47   2HB   LYS   6          2HB       LYS   6  -5.963  -5.528  -7.618
   48   1HG   LYS   6          2HG       LYS   6  -5.192  -2.637  -6.982
   49   2HG   LYS   6          1HG       LYS   6  -5.683  -3.244  -8.543
   50   1HD   LYS   6          2HD       LYS   6  -7.443  -3.059  -6.047
   51   2HD   LYS   6          1HD       LYS   6  -7.551  -2.062  -7.476
   52   1HE   LYS   6          2HE       LYS   6  -8.082  -5.064  -7.424
   53   2HE   LYS   6          1HE       LYS   6  -9.296  -3.803  -7.528
   54   1HZ   LYS   6          1HZ       LYS   6  -7.412  -3.340  -9.536
   55   2HZ   LYS   6          2HZ       LYS   6  -9.045  -3.773  -9.688
   56   3HZ   LYS   6          3HZ       LYS   6  -7.852  -4.978  -9.597
   57    H    THR   7           H        THR   7  -4.914  -5.721  -3.290
   58    HA   THR   7           HA       THR   7  -4.527  -8.596  -3.932
   59    HB   THR   7           HB       THR   7  -2.547  -6.931  -2.238
   60    HG1  THR   7           HG1      THR   7  -1.593  -8.001  -4.486
   61   1HG2  THR   7          1HG2      THR   7  -2.440  -9.752  -3.492
   62   2HG2  THR   7          2HG2      THR   7  -2.735  -9.483  -1.783
   63   3HG2  THR   7          3HG2      THR   7  -1.196  -9.041  -2.495
   64    H    CYS   8           H        CYS   8  -4.774  -6.115  -1.383
   65    HA   CYS   8           HA       CYS   8  -6.367  -8.096   0.221
   66   1HB   CYS   8          1HB       CYS   8  -5.412  -7.188   2.230
   67   2HB   CYS   8          2HB       CYS   8  -4.105  -7.715   1.164
   68    H    GLN   9           H        GLN   9  -6.611  -5.415  -1.527
   69    HA   GLN   9           HA       GLN   9  -8.079  -3.617  -1.644
   70   1HB   GLN   9          1HB       GLN   9  -9.831  -5.315   0.216
   71   2HB   GLN   9          2HB       GLN   9 -10.372  -4.068  -0.882
   72   1HG   GLN   9          2HG       GLN   9  -9.139  -6.739  -1.668
   73   2HG   GLN   9          1HG       GLN   9 -10.803  -6.240  -1.903
   74   1HE2  GLN   9          2HE2      GLN   9  -7.973  -6.623  -3.542
   75   2HE2  GLN   9          1HE2      GLN   9  -8.205  -5.486  -4.780
   76    H    ARG  10           H        ARG  10  -6.155  -3.099  -0.098
   77    HA   ARG  10           HA       ARG  10  -7.169  -1.855   2.430
   78   1HB   ARG  10          1HB       ARG  10  -5.210  -3.379   2.643
   79   2HB   ARG  10          2HB       ARG  10  -4.334  -2.440   1.435
   80   1HG   ARG  10          2HG       ARG  10  -4.256  -0.507   2.909
   81   2HG   ARG  10          1HG       ARG  10  -5.332  -1.279   4.063
   82   1HD   ARG  10          2HD       ARG  10  -3.695  -2.985   4.579
   83   2HD   ARG  10          1HD       ARG  10  -2.656  -2.490   3.254
   84    HE   ARG  10           HE       ARG  10  -2.304  -0.331   4.499
   85   1HH1  ARG  10          2HH2      ARG  10  -2.417  -3.365   5.989
   86   2HH1  ARG  10          1HH2      ARG  10  -2.282  -2.753   7.602
   87   1HH2  ARG  10          1HH1      ARG  10  -2.576   0.582   6.588
   88   2HH2  ARG  10          2HH1      ARG  10  -2.378  -0.470   7.951
   89    H    LYS  11           H        LYS  11  -6.652   0.449   2.631
   90    HA   LYS  11           HA       LYS  11  -6.237   1.692  -0.047
   91   1HB   LYS  11          1HB       LYS  11  -8.540   1.811   1.011
   92   2HB   LYS  11          2HB       LYS  11  -7.856   2.747   2.318
   93   1HG   LYS  11          2HG       LYS  11  -7.201   4.541   0.727
   94   2HG   LYS  11          1HG       LYS  11  -7.882   3.607  -0.597
   95   1HD   LYS  11          2HD       LYS  11  -9.522   4.492   1.800
   96   2HD   LYS  11          1HD       LYS  11  -9.446   5.400   0.308
   97   1HE   LYS  11          2HE       LYS  11 -10.287   3.367  -0.933
   98   2HE   LYS  11          1HE       LYS  11 -10.484   2.548   0.611
   99   1HZ   LYS  11          1HZ       LYS  11 -11.675   5.062   0.801
  100   2HZ   LYS  11          2HZ       LYS  11 -12.405   3.529   0.868
  101   3HZ   LYS  11          3HZ       LYS  11 -12.227   4.319  -0.625
  102    H    PHE  12           H        PHE  12  -5.193   3.841  -0.047
  103    HA   PHE  12           HA       PHE  12  -3.496   4.424   2.315
  104   1HB   PHE  12          1HB       PHE  12  -2.575   4.021  -0.581
  105   2HB   PHE  12          2HB       PHE  12  -1.540   4.645   0.686
  106    HD1  PHE  12           HD1      PHE  12  -1.032   3.223   2.692
  107    HD2  PHE  12           HD2      PHE  12  -3.191   1.660  -0.625
  108    HE1  PHE  12           HE1      PHE  12  -0.655   0.945   3.517
  109    HE2  PHE  12           HE2      PHE  12  -2.811  -0.626   0.203
  110    HZ   PHE  12           HZ       PHE  12  -1.545  -0.970   2.280
  111    H    SER  13           H        SER  13  -2.156   6.470   1.574
  112    HA   SER  13           HA       SER  13  -4.183   8.546   0.891
  113   1HB   SER  13          2HB       SER  13  -2.477  10.071   2.056
  114   2HB   SER  13          1HB       SER  13  -3.195   8.853   3.095
  115    HG   SER  13           HG       SER  13  -1.287   8.029   3.313
  116    H    ARG  14           H        ARG  14  -0.895   7.498   0.188
  117    HA   ARG  14           HA       ARG  14  -0.894   9.241  -2.257
  118   1HB   ARG  14          1HB       ARG  14   1.458   8.159  -0.650
  119   2HB   ARG  14          2HB       ARG  14   1.598   9.123  -2.104
  120   1HG   ARG  14          2HG       ARG  14   0.521  11.015  -1.111
  121   2HG   ARG  14          1HG       ARG  14   0.303  10.129   0.394
  122   1HD   ARG  14          2HD       ARG  14   2.594  10.096   0.881
  123   2HD   ARG  14          1HD       ARG  14   3.095  10.286  -0.786
  124    HE   ARG  14           HE       ARG  14   1.722  12.454   0.725
  125   1HH1  ARG  14          1HH1      ARG  14   4.817  11.741   0.488
  126   2HH1  ARG  14          2HH1      ARG  14   5.317  13.034  -0.552
  127   1HH2  ARG  14          2HH2      ARG  14   2.028  13.910  -1.375
  128   2HH2  ARG  14          1HH2      ARG  14   3.700  14.289  -1.631
  129    H    SER  15           H        SER  15   0.312   8.373  -4.068
  130    HA   SER  15           HA       SER  15  -0.503   5.621  -4.641
  131   1HB   SER  15          2HB       SER  15   0.370   6.133  -6.945
  132   2HB   SER  15          1HB       SER  15  -0.584   7.468  -6.369
  133    HG   SER  15           HG       SER  15   1.818   7.892  -5.411
  134    H    ASP  16           H        ASP  16   2.393   7.410  -3.872
  135    HA   ASP  16           HA       ASP  16   4.271   5.291  -4.418
  136   1HB   ASP  16          1HB       ASP  16   5.772   6.757  -2.893
  137   2HB   ASP  16          2HB       ASP  16   5.140   7.561  -4.327
  138    H    HIS  17           H        HIS  17   2.293   6.357  -1.714
  139    HA   HIS  17           HA       HIS  17   3.440   4.638   0.245
  140   1HB   HIS  17          1HB       HIS  17   0.685   5.953  -0.041
  141   2HB   HIS  17          2HB       HIS  17   1.002   4.870   1.303
  142    HD1  HIS  17           HD1      HIS  17   0.553   7.634   2.218
  143    HD2  HIS  17           HD2      HIS  17   4.294   6.535   1.001
  144    HE1  HIS  17           HE1      HIS  17   2.105   9.209   3.251
  145    H    LEU  18           H        LEU  18   0.463   4.294  -1.678
  146    HA   LEU  18           HA       LEU  18  -0.250   1.681  -1.176
  147   1HB   LEU  18          1HB       LEU  18  -1.543   3.091  -2.715
  148   2HB   LEU  18          2HB       LEU  18  -0.210   3.153  -3.857
  149    HG   LEU  18           HG       LEU  18  -0.424   0.595  -4.071
  150   1HD1  LEU  18          1HD1      LEU  18  -3.012   1.048  -2.598
  151   2HD1  LEU  18          2HD1      LEU  18  -1.613   0.186  -1.968
  152   3HD1  LEU  18          3HD1      LEU  18  -2.468  -0.440  -3.352
  153   1HD2  LEU  18          1HD2      LEU  18  -1.347   2.167  -5.777
  154   2HD2  LEU  18          2HD2      LEU  18  -2.857   2.249  -4.884
  155   3HD2  LEU  18          3HD2      LEU  18  -2.346   0.737  -5.604
  156    H    LYS  19           H        LYS  19   2.102   2.656  -3.703
  157    HA   LYS  19           HA       LYS  19   2.843   0.083  -4.498
  158   1HB   LYS  19          1HB       LYS  19   3.614   2.240  -5.607
  159   2HB   LYS  19          2HB       LYS  19   4.750   2.467  -4.290
  160   1HG   LYS  19          2HG       LYS  19   5.992   1.380  -6.045
  161   2HG   LYS  19          1HG       LYS  19   5.718   0.146  -4.840
  162   1HD   LYS  19          2HD       LYS  19   3.583  -0.483  -6.294
  163   2HD   LYS  19          1HD       LYS  19   4.323   0.522  -7.522
  164   1HE   LYS  19          2HE       LYS  19   5.093  -1.684  -7.985
  165   2HE   LYS  19          1HE       LYS  19   6.456  -0.933  -7.171
  166   1HZ   LYS  19          1HZ       LYS  19   4.669  -2.096  -5.287
  167   2HZ   LYS  19          2HZ       LYS  19   6.321  -2.431  -5.567
  168   3HZ   LYS  19          3HZ       LYS  19   5.112  -3.223  -6.456
  169    H    THR  20           H        THR  20   4.611   2.063  -2.081
  170    HA   THR  20           HA       THR  20   6.525   0.288  -1.255
  171    HB   THR  20           HB       THR  20   4.798   2.082   0.584
  172    HG1  THR  20           HG1      THR  20   5.671   3.214  -1.054
  173   1HG2  THR  20          1HG2      THR  20   7.745   1.216   0.821
  174   2HG2  THR  20          2HG2      THR  20   6.478   0.506   1.809
  175   3HG2  THR  20          3HG2      THR  20   6.853   2.214   1.959
  176    H    HIS  21           H        HIS  21   3.238   0.372  -0.215
  177    HA   HIS  21           HA       HIS  21   3.289  -1.860   1.551
  178   1HB   HIS  21          1HB       HIS  21   1.492  -0.312   1.794
  179   2HB   HIS  21          2HB       HIS  21   1.041  -0.391   0.106
  180    HD1  HIS  21           HD1      HIS  21   0.772  -2.398   3.230
  181    HD2  HIS  21           HD2      HIS  21  -0.516  -2.600  -0.655
  182    HE1  HIS  21           HE1      HIS  21  -0.885  -4.227   3.129
  183    H    THR  22           H        THR  22   1.957  -1.787  -1.816
  184    HA   THR  22           HA       THR  22   1.241  -4.439  -2.034
  185    HB   THR  22           HB       THR  22   1.526  -4.010  -4.513
  186    HG1  THR  22           HG1      THR  22   3.236  -2.274  -3.572
  187   1HG2  THR  22          1HG2      THR  22   0.228  -1.700  -2.987
  188   2HG2  THR  22          2HG2      THR  22  -0.563  -3.211  -3.382
  189   3HG2  THR  22          3HG2      THR  22  -0.075  -2.119  -4.663
  190    H    ARG  23           H        ARG  23   4.398  -3.022  -2.248
  191    HA   ARG  23           HA       ARG  23   5.567  -5.434  -3.375
  192   1HB   ARG  23          1HB       ARG  23   6.382  -3.010  -3.713
  193   2HB   ARG  23          2HB       ARG  23   7.034  -3.119  -2.087
  194   1HG   ARG  23          2HG       ARG  23   8.342  -5.182  -2.801
  195   2HG   ARG  23          1HG       ARG  23   7.722  -4.951  -4.420
  196   1HD   ARG  23          2HD       ARG  23   9.960  -4.069  -4.137
  197   2HD   ARG  23          1HD       ARG  23   8.856  -2.763  -4.567
  198    HE   ARG  23           HE       ARG  23   9.789  -3.285  -1.758
  199   1HH1  ARG  23          1HH1      ARG  23   7.566  -1.367  -2.008
  200   2HH1  ARG  23          2HH1      ARG  23   8.382   0.153  -2.158
  201   1HH2  ARG  23          2HH2      ARG  23  11.445  -1.318  -2.974
  202   2HH2  ARG  23          1HH2      ARG  23  10.621   0.184  -2.714
  203    H    THR  24           H        THR  24   4.176  -5.940  -1.165
  204    HA   THR  24           HA       THR  24   6.102  -7.041   0.812
  205    HB   THR  24           HB       THR  24   4.653  -4.986   1.750
  206    HG1  THR  24           HG1      THR  24   5.286  -6.049   3.429
  207   1HG2  THR  24          1HG2      THR  24   2.610  -7.291   2.015
  208   2HG2  THR  24          2HG2      THR  24   2.341  -5.984   0.886
  209   3HG2  THR  24          3HG2      THR  24   2.425  -5.652   2.607
  210    H    HIS  25           H        HIS  25   3.393  -7.225  -1.232
  211    HA   HIS  25           HA       HIS  25   2.609  -9.980  -0.432
  212   1HB   HIS  25          1HB       HIS  25   1.440  -8.141  -2.565
  213   2HB   HIS  25          2HB       HIS  25   0.810  -9.706  -2.107
  214    HD1  HIS  25           HD1      HIS  25   0.346  -9.435   0.830
  215    HD2  HIS  25           HD2      HIS  25  -0.246  -6.300  -1.720
  216    HE1  HIS  25           HE1      HIS  25  -1.243  -7.905   1.961
  217    H    THR  26           H        THR  26   3.570  -7.944  -3.121
  218    HA   THR  26           HA       THR  26   4.674 -10.300  -4.599
  219    HB   THR  26           HB       THR  26   4.309  -8.823  -6.679
  220    HG1  THR  26           HG1      THR  26   3.597  -7.093  -4.593
  221   1HG2  THR  26          1HG2      THR  26   1.784  -9.044  -4.943
  222   2HG2  THR  26          2HG2      THR  26   2.413 -10.365  -5.917
  223   3HG2  THR  26          3HG2      THR  26   1.831  -8.899  -6.690
  224    H    GLY  27           H        GLY  27   6.166  -9.553  -2.705
  225   1HA   GLY  27          1HA       GLY  27   8.299  -7.739  -3.787
  226   2HA   GLY  27          2HA       GLY  27   7.941  -7.912  -2.064
  227    H    GLU  28           H        GLU  28   7.628 -10.525  -1.726
  228    HA   GLU  28           HA       GLU  28  10.296 -11.642  -2.052
  229   1HB   GLU  28          1HB       GLU  28   9.664 -12.990  -0.244
  230   2HB   GLU  28          2HB       GLU  28   8.990 -11.442   0.141
  231   1HG   GLU  28          2HG       GLU  28   7.484 -13.890  -0.887
  232   2HG   GLU  28          1HG       GLU  28   7.350 -13.160   0.695
  233    H    LYS  29           H        LYS  29   7.268 -11.805  -3.516
  234    HA   LYS  29           HA       LYS  29   7.851 -14.449  -4.804
  235   1HB   LYS  29          1HB       LYS  29   5.737 -14.419  -3.469
  236   2HB   LYS  29          2HB       LYS  29   5.174 -13.036  -4.393
  237   1HG   LYS  29          2HG       LYS  29   5.230 -14.412  -6.476
  238   2HG   LYS  29          1HG       LYS  29   5.822 -15.785  -5.551
  239   1HD   LYS  29          2HD       LYS  29   3.755 -15.810  -4.210
  240   2HD   LYS  29          1HD       LYS  29   3.165 -14.375  -5.037
  241   1HE   LYS  29          2HE       LYS  29   3.242 -15.654  -7.214
  242   2HE   LYS  29          1HE       LYS  29   3.725 -17.085  -6.316
  243   1HZ   LYS  29          1HZ       LYS  29   1.471 -16.019  -5.073
  244   2HZ   LYS  29          2HZ       LYS  29   1.624 -17.490  -5.906
  245   3HZ   LYS  29          3HZ       LYS  29   1.159 -16.088  -6.740
  Start of MODEL    7
    1   1H    LYS   1          1H        LYS   1  -5.699  11.910  -2.542
    2   2H    LYS   1          2H        LYS   1  -7.080  12.877  -2.746
    3   3H    LYS   1          3H        LYS   1  -5.840  12.909  -3.904
    4    HA   LYS   1           HA       LYS   1  -8.096  11.264  -3.813
    5   1HB   LYS   1          2HB       LYS   1  -5.678  11.313  -5.678
    6   2HB   LYS   1          1HB       LYS   1  -7.199  10.512  -6.038
    7   1HG   LYS   1          2HG       LYS   1  -8.359  12.765  -5.734
    8   2HG   LYS   1          1HG       LYS   1  -6.775  13.503  -5.614
    9   1HD   LYS   1          2HD       LYS   1  -7.825  11.921  -8.002
   10   2HD   LYS   1          1HD       LYS   1  -7.701  13.663  -7.926
   11   1HE   LYS   1          2HE       LYS   1  -5.341  11.726  -7.837
   12   2HE   LYS   1          1HE       LYS   1  -5.804  12.745  -9.186
   13   1HZ   LYS   1          1HZ       LYS   1  -5.576  14.377  -6.940
   14   2HZ   LYS   1          2HZ       LYS   1  -4.613  14.360  -8.338
   15   3HZ   LYS   1          3HZ       LYS   1  -4.195  13.393  -7.003
   16    HA   PRO   2           HA       PRO   2  -5.924   8.017  -1.175
   17   1HB   PRO   2          1HB       PRO   2  -8.872   7.441  -1.520
   18   2HB   PRO   2          2HB       PRO   2  -7.806   6.996  -0.178
   19   1HG   PRO   2          2HG       PRO   2  -9.212   9.227   0.110
   20   2HG   PRO   2          1HG       PRO   2  -7.483   9.339   0.458
   21   1HD   PRO   2          1HD       PRO   2  -8.972  10.226  -2.053
   22   2HD   PRO   2          2HD       PRO   2  -7.633  11.046  -1.222
   23    H    PHE   3           H        PHE   3  -5.528   5.931  -1.496
   24    HA   PHE   3           HA       PHE   3  -5.918   4.860  -4.267
   25   1HB   PHE   3          1HB       PHE   3  -3.520   4.769  -2.415
   26   2HB   PHE   3          2HB       PHE   3  -3.629   3.795  -3.866
   27    HD1  PHE   3           HD1      PHE   3  -3.383   4.836  -6.064
   28    HD2  PHE   3           HD2      PHE   3  -3.457   7.247  -2.548
   29    HE1  PHE   3           HE1      PHE   3  -2.625   6.769  -7.367
   30    HE2  PHE   3           HE2      PHE   3  -2.704   9.178  -3.861
   31    HZ   PHE   3           HZ       PHE   3  -2.289   8.944  -6.271
   32    H    GLN   4           H        GLN   4  -5.947   2.556  -4.430
   33    HA   GLN   4           HA       GLN   4  -6.661   1.116  -1.906
   34   1HB   GLN   4          1HB       GLN   4  -8.702   1.830  -3.235
   35   2HB   GLN   4          2HB       GLN   4  -8.095   0.913  -4.593
   36   1HG   GLN   4          2HG       GLN   4  -9.791  -0.390  -3.465
   37   2HG   GLN   4          1HG       GLN   4  -8.239  -1.187  -3.315
   38   1HE2  GLN   4          2HE2      GLN   4  -8.046  -2.034  -1.328
   39   2HE2  GLN   4          1HE2      GLN   4  -8.568  -1.341   0.136
   40    H    CYS   5           H        CYS   5  -5.960  -1.050  -1.828
   41    HA   CYS   5           HA       CYS   5  -3.934  -1.787  -3.875
   42   1HB   CYS   5          1HB       CYS   5  -3.302  -1.997  -1.563
   43   2HB   CYS   5          2HB       CYS   5  -4.697  -3.014  -1.225
   44    H    LYS   6           H        LYS   6  -4.259  -3.438  -5.263
   45    HA   LYS   6           HA       LYS   6  -6.954  -4.735  -5.332
   46   1HB   LYS   6          1HB       LYS   6  -6.159  -3.315  -7.297
   47   2HB   LYS   6          2HB       LYS   6  -4.869  -4.470  -7.543
   48   1HG   LYS   6          2HG       LYS   6  -6.732  -6.283  -7.808
   49   2HG   LYS   6          1HG       LYS   6  -7.863  -4.954  -7.782
   50   1HD   LYS   6          2HD       LYS   6  -6.907  -3.975  -9.782
   51   2HD   LYS   6          1HD       LYS   6  -5.540  -5.077  -9.744
   52   1HE   LYS   6          2HE       LYS   6  -7.184  -5.840 -11.419
   53   2HE   LYS   6          1HE       LYS   6  -7.096  -7.001 -10.105
   54   1HZ   LYS   6          1HZ       LYS   6  -9.020  -5.082  -9.451
   55   2HZ   LYS   6          2HZ       LYS   6  -9.230  -6.739  -9.762
   56   3HZ   LYS   6          3HZ       LYS   6  -9.322  -5.617 -11.034
   57    H    THR   7           H        THR   7  -4.893  -5.511  -3.549
   58    HA   THR   7           HA       THR   7  -4.382  -8.287  -4.507
   59    HB   THR   7           HB       THR   7  -2.389  -6.623  -2.858
   60    HG1  THR   7           HG1      THR   7  -3.014  -6.687  -5.497
   61   1HG2  THR   7          1HG2      THR   7  -2.136  -9.210  -4.514
   62   2HG2  THR   7          2HG2      THR   7  -2.199  -9.203  -2.758
   63   3HG2  THR   7          3HG2      THR   7  -0.848  -8.462  -3.599
   64    H    CYS   8           H        CYS   8  -4.877  -6.070  -1.752
   65    HA   CYS   8           HA       CYS   8  -5.842  -8.468  -0.199
   66   1HB   CYS   8          1HB       CYS   8  -5.008  -7.389   1.831
   67   2HB   CYS   8          2HB       CYS   8  -3.695  -7.644   0.681
   68    H    GLN   9           H        GLN   9  -5.993  -5.124  -0.814
   69    HA   GLN   9           HA       GLN   9  -7.855  -3.766  -1.236
   70   1HB   GLN   9          1HB       GLN   9  -9.496  -5.506   0.696
   71   2HB   GLN   9          2HB       GLN   9 -10.082  -4.182  -0.263
   72   1HG   GLN   9          2HG       GLN   9  -9.113  -6.844  -1.392
   73   2HG   GLN   9          1HG       GLN   9 -10.738  -6.193  -1.416
   74   1HE2  GLN   9          2HE2      GLN   9  -8.080  -6.606  -3.323
   75   2HE2  GLN   9          1HE2      GLN   9  -8.338  -5.346  -4.432
   76    H    ARG  10           H        ARG  10  -5.956  -2.968   0.077
   77    HA   ARG  10           HA       ARG  10  -6.867  -1.878   2.721
   78   1HB   ARG  10          1HB       ARG  10  -4.751  -3.309   2.727
   79   2HB   ARG  10          2HB       ARG  10  -4.021  -2.162   1.606
   80   1HG   ARG  10          2HG       ARG  10  -4.147  -0.376   3.267
   81   2HG   ARG  10          1HG       ARG  10  -5.111  -1.374   4.342
   82   1HD   ARG  10          2HD       ARG  10  -3.230  -2.932   4.644
   83   2HD   ARG  10          1HD       ARG  10  -2.240  -2.022   3.514
   84    HE   ARG  10           HE       ARG  10  -3.233  -0.923   6.119
   85   1HH1  ARG  10          2HH2      ARG  10  -0.419  -2.093   5.062
   86   2HH1  ARG  10          1HH2      ARG  10   0.494  -0.623   5.139
   87   1HH2  ARG  10          1HH1      ARG  10  -2.350   1.370   5.572
   88   2HH2  ARG  10          2HH1      ARG  10  -0.622   1.380   5.433
   89    H    LYS  11           H        LYS  11  -6.289   0.471   2.947
   90    HA   LYS  11           HA       LYS  11  -6.268   1.768   0.256
   91   1HB   LYS  11          1HB       LYS  11  -8.393   1.938   1.528
   92   2HB   LYS  11          2HB       LYS  11  -7.561   2.682   2.876
   93   1HG   LYS  11          2HG       LYS  11  -6.982   4.653   1.442
   94   2HG   LYS  11          1HG       LYS  11  -7.841   3.921   0.104
   95   1HD   LYS  11          2HD       LYS  11  -9.086   4.722   2.771
   96   2HD   LYS  11          1HD       LYS  11  -9.257   5.595   1.266
   97   1HE   LYS  11          2HE       LYS  11 -10.275   2.757   1.794
   98   2HE   LYS  11          1HE       LYS  11 -11.244   4.205   1.618
   99   1HZ   LYS  11          1HZ       LYS  11  -9.620   4.092  -0.609
  100   2HZ   LYS  11          2HZ       LYS  11 -11.295   3.843  -0.533
  101   3HZ   LYS  11          3HZ       LYS  11 -10.220   2.527  -0.388
  102    H    PHE  12           H        PHE  12  -5.271   3.893   0.124
  103    HA   PHE  12           HA       PHE  12  -3.282   4.556   2.222
  104   1HB   PHE  12          1HB       PHE  12  -2.622   4.126  -0.746
  105   2HB   PHE  12          2HB       PHE  12  -1.490   4.686   0.466
  106    HD1  PHE  12           HD1      PHE  12  -0.911   3.188   2.406
  107    HD2  PHE  12           HD2      PHE  12  -3.297   1.790  -0.844
  108    HE1  PHE  12           HE1      PHE  12  -0.571   0.871   3.133
  109    HE2  PHE  12           HE2      PHE  12  -2.945  -0.524  -0.102
  110    HZ   PHE  12           HZ       PHE  12  -1.605  -0.967   1.886
  111    H    SER  13           H        SER  13  -2.071   6.580   1.380
  112    HA   SER  13           HA       SER  13  -4.147   8.592   0.638
  113   1HB   SER  13          2HB       SER  13  -2.592  10.200   1.828
  114   2HB   SER  13          1HB       SER  13  -3.195   8.929   2.876
  115    HG   SER  13           HG       SER  13  -1.056   7.986   1.592
  116    H    ARG  14           H        ARG  14  -0.818   7.582   0.028
  117    HA   ARG  14           HA       ARG  14  -0.768   9.339  -2.413
  118   1HB   ARG  14          1HB       ARG  14   1.642   8.060  -1.066
  119   2HB   ARG  14          2HB       ARG  14   1.629   9.270  -2.343
  120   1HG   ARG  14          2HG       ARG  14   0.650  10.916  -0.760
  121   2HG   ARG  14          1HG       ARG  14   0.722   9.732   0.521
  122   1HD   ARG  14          2HD       ARG  14   2.849  10.753   0.848
  123   2HD   ARG  14          1HD       ARG  14   3.270   9.474  -0.232
  124    HE   ARG  14           HE       ARG  14   4.209  11.547  -1.140
  125   1HH1  ARG  14          1HH1      ARG  14   1.970  13.419  -0.774
  126   2HH1  ARG  14          2HH1      ARG  14   1.298  13.526  -2.368
  127   1HH2  ARG  14          2HH2      ARG  14   2.913  10.613  -3.424
  128   2HH2  ARG  14          1HH2      ARG  14   1.847  11.888  -3.938
  129    H    SER  15           H        SER  15   0.635   8.349  -4.160
  130    HA   SER  15           HA       SER  15  -0.371   5.630  -4.717
  131   1HB   SER  15          2HB       SER  15   0.689   6.014  -6.980
  132   2HB   SER  15          1HB       SER  15  -0.366   7.337  -6.553
  133    HG   SER  15           HG       SER  15   1.971   7.864  -5.444
  134    H    ASP  16           H        ASP  16   2.677   7.330  -4.126
  135    HA   ASP  16           HA       ASP  16   4.430   5.114  -4.532
  136   1HB   ASP  16          1HB       ASP  16   6.009   6.531  -3.088
  137   2HB   ASP  16          2HB       ASP  16   5.333   7.402  -4.458
  138    H    HIS  17           H        HIS  17   2.366   6.213  -1.966
  139    HA   HIS  17           HA       HIS  17   3.449   4.575   0.096
  140   1HB   HIS  17          1HB       HIS  17   0.703   5.870  -0.322
  141   2HB   HIS  17          2HB       HIS  17   0.987   4.843   1.067
  142    HD1  HIS  17           HD1      HIS  17   0.424   7.602   1.874
  143    HD2  HIS  17           HD2      HIS  17   4.254   6.625   0.847
  144    HE1  HIS  17           HE1      HIS  17   1.862   9.272   2.901
  145    H    LEU  18           H        LEU  18   0.501   4.233  -1.875
  146    HA   LEU  18           HA       LEU  18  -0.254   1.644  -1.350
  147   1HB   LEU  18          1HB       LEU  18  -1.558   3.033  -2.864
  148   2HB   LEU  18          2HB       LEU  18  -0.243   3.121  -4.026
  149    HG   LEU  18           HG       LEU  18  -0.446   0.599  -4.340
  150   1HD1  LEU  18          1HD1      LEU  18  -2.968   0.874  -2.703
  151   2HD1  LEU  18          2HD1      LEU  18  -1.509   0.035  -2.187
  152   3HD1  LEU  18          3HD1      LEU  18  -2.410  -0.547  -3.564
  153   1HD2  LEU  18          1HD2      LEU  18  -1.520   2.196  -5.918
  154   2HD2  LEU  18          2HD2      LEU  18  -2.967   2.209  -4.927
  155   3HD2  LEU  18          3HD2      LEU  18  -2.474   0.736  -5.734
  156    H    LYS  19           H        LYS  19   2.224   2.573  -3.737
  157    HA   LYS  19           HA       LYS  19   2.841  -0.057  -4.617
  158   1HB   LYS  19          1HB       LYS  19   4.828   2.266  -4.323
  159   2HB   LYS  19          2HB       LYS  19   5.062   0.862  -5.341
  160   1HG   LYS  19          2HG       LYS  19   3.035   3.084  -5.713
  161   2HG   LYS  19          1HG       LYS  19   4.395   2.708  -6.727
  162   1HD   LYS  19          2HD       LYS  19   3.384   0.608  -7.461
  163   2HD   LYS  19          1HD       LYS  19   2.046   0.801  -6.343
  164   1HE   LYS  19          2HE       LYS  19   2.671   2.701  -8.630
  165   2HE   LYS  19          1HE       LYS  19   1.389   1.502  -8.617
  166   1HZ   LYS  19          1HZ       LYS  19   1.183   3.052  -6.288
  167   2HZ   LYS  19          2HZ       LYS  19   0.094   2.928  -7.584
  168   3HZ   LYS  19          3HZ       LYS  19   1.329   4.094  -7.617
  169    H    THR  20           H        THR  20   4.841   1.831  -2.353
  170    HA   THR  20           HA       THR  20   6.566  -0.010  -1.372
  171    HB   THR  20           HB       THR  20   4.943   1.964   0.351
  172    HG1  THR  20           HG1      THR  20   5.906   2.998  -1.271
  173   1HG2  THR  20          1HG2      THR  20   7.808   0.873   0.666
  174   2HG2  THR  20          2HG2      THR  20   6.472   0.317   1.661
  175   3HG2  THR  20          3HG2      THR  20   6.999   1.987   1.755
  176    H    HIS  21           H        HIS  21   3.270   0.364  -0.316
  177    HA   HIS  21           HA       HIS  21   3.146  -1.704   1.600
  178   1HB   HIS  21          1HB       HIS  21   1.282  -0.230   1.610
  179   2HB   HIS  21          2HB       HIS  21   1.058  -0.292  -0.125
  180    HD1  HIS  21           HD1      HIS  21   0.651  -2.520   2.854
  181    HD2  HIS  21           HD2      HIS  21  -0.666  -2.312  -1.030
  182    HE1  HIS  21           HE1      HIS  21  -1.018  -4.325   2.566
  183    H    THR  22           H        THR  22   1.945  -1.886  -1.733
  184    HA   THR  22           HA       THR  22   1.334  -4.590  -1.819
  185    HB   THR  22           HB       THR  22   2.314  -2.836  -4.118
  186    HG1  THR  22           HG1      THR  22   0.678  -1.892  -3.029
  187   1HG2  THR  22          1HG2      THR  22   0.303  -5.152  -4.099
  188   2HG2  THR  22          2HG2      THR  22   1.935  -5.325  -4.727
  189   3HG2  THR  22          3HG2      THR  22   0.811  -4.221  -5.492
  190    H    ARG  23           H        ARG  23   4.421  -3.215  -1.547
  191    HA   ARG  23           HA       ARG  23   5.763  -5.520  -2.788
  192   1HB   ARG  23          1HB       ARG  23   7.020  -3.155  -1.276
  193   2HB   ARG  23          2HB       ARG  23   7.877  -4.294  -2.283
  194   1HG   ARG  23          2HG       ARG  23   5.766  -2.348  -3.277
  195   2HG   ARG  23          1HG       ARG  23   7.486  -2.158  -3.472
  196   1HD   ARG  23          2HD       ARG  23   7.595  -4.132  -4.923
  197   2HD   ARG  23          1HD       ARG  23   5.896  -4.500  -4.631
  198    HE   ARG  23           HE       ARG  23   5.353  -2.315  -5.732
  199   1HH1  ARG  23          2HH2      ARG  23   6.953  -4.508  -7.370
  200   2HH1  ARG  23          1HH2      ARG  23   7.885  -3.459  -8.388
  201   1HH2  ARG  23          1HH1      ARG  23   7.138  -0.621  -6.472
  202   2HH2  ARG  23          2HH1      ARG  23   7.991  -1.200  -7.865
  203    H    THR  24           H        THR  24   4.053  -6.004  -0.831
  204    HA   THR  24           HA       THR  24   5.545  -7.198   1.445
  205    HB   THR  24           HB       THR  24   3.914  -5.261   2.162
  206    HG1  THR  24           HG1      THR  24   4.241  -7.805   2.964
  207   1HG2  THR  24          1HG2      THR  24   1.810  -7.401   1.441
  208   2HG2  THR  24          2HG2      THR  24   2.018  -5.962   0.464
  209   3HG2  THR  24          3HG2      THR  24   1.502  -5.823   2.138
  210    H    HIS  25           H        HIS  25   3.318  -7.219  -1.136
  211    HA   HIS  25           HA       HIS  25   2.420 -10.017  -0.810
  212   1HB   HIS  25          1HB       HIS  25   1.722  -7.986  -2.997
  213   2HB   HIS  25          2HB       HIS  25   0.941  -9.524  -2.718
  214    HD1  HIS  25           HD1      HIS  25   0.087  -9.367   0.105
  215    HD2  HIS  25           HD2      HIS  25  -0.054  -6.045  -2.286
  216    HE1  HIS  25           HE1      HIS  25  -1.575  -7.850   1.118
  217    H    THR  26           H        THR  26   3.797  -7.813  -3.178
  218    HA   THR  26           HA       THR  26   5.455  -9.997  -4.347
  219    HB   THR  26           HB       THR  26   5.105  -8.737  -6.577
  220    HG1  THR  26           HG1      THR  26   3.816  -7.115  -4.765
  221   1HG2  THR  26          1HG2      THR  26   2.512  -9.610  -5.175
  222   2HG2  THR  26          2HG2      THR  26   3.621 -10.726  -5.962
  223   3HG2  THR  26          3HG2      THR  26   2.769  -9.520  -6.910
  224    H    GLY  27           H        GLY  27   6.601  -8.831  -2.431
  225   1HA   GLY  27          1HA       GLY  27   8.463  -6.766  -3.564
  226   2HA   GLY  27          2HA       GLY  27   7.963  -6.775  -1.876
  227    H    GLU  28           H        GLU  28   7.957  -9.705  -1.787
  228    HA   GLU  28           HA       GLU  28  10.828 -10.236  -1.428
  229   1HB   GLU  28          1HB       GLU  28   8.626 -12.012  -0.355
  230   2HB   GLU  28          2HB       GLU  28  10.157 -11.539   0.314
  231   1HG   GLU  28          2HG       GLU  28   8.509 -10.532   1.736
  232   2HG   GLU  28          1HG       GLU  28   9.224  -9.238   0.796
  233    H    LYS  29           H        LYS  29   9.972 -10.144  -3.940
  234    HA   LYS  29           HA       LYS  29   9.658 -12.981  -4.842
  235   1HB   LYS  29          1HB       LYS  29   7.668 -11.645  -5.344
  236   2HB   LYS  29          2HB       LYS  29   8.628 -10.364  -6.038
  237   1HG   LYS  29          2HG       LYS  29   8.749 -13.146  -7.237
  238   2HG   LYS  29          1HG       LYS  29   7.394 -12.099  -7.608
  239   1HD   LYS  29          2HD       LYS  29   8.948 -10.348  -8.445
  240   2HD   LYS  29          1HD       LYS  29  10.330 -11.367  -8.107
  241   1HE   LYS  29          2HE       LYS  29   9.474 -13.079  -9.684
  242   2HE   LYS  29          1HE       LYS  29   8.073 -12.068 -10.021
  243   1HZ   LYS  29          1HZ       LYS  29  10.367 -10.512 -10.331
  244   2HZ   LYS  29          2HZ       LYS  29   9.248 -10.996 -11.510
  245   3HZ   LYS  29          3HZ       LYS  29  10.604 -11.965 -11.178
  Start of MODEL    8
    1   1H    LYS   1          1H        LYS   1  -7.077  11.650  -0.707
    2   2H    LYS   1          2H        LYS   1  -8.227  12.621  -1.500
    3   3H    LYS   1          3H        LYS   1  -6.614  13.139  -1.375
    4    HA   LYS   1           HA       LYS   1  -7.810  11.604  -3.396
    5   1HB   LYS   1          2HB       LYS   1  -4.863  12.335  -2.964
    6   2HB   LYS   1          1HB       LYS   1  -5.609  11.946  -4.495
    7   1HG   LYS   1          2HG       LYS   1  -6.237  14.386  -2.776
    8   2HG   LYS   1          1HG       LYS   1  -5.298  14.376  -4.253
    9   1HD   LYS   1          2HD       LYS   1  -7.293  13.612  -5.541
   10   2HD   LYS   1          1HD       LYS   1  -8.256  13.643  -4.072
   11   1HE   LYS   1          2HE       LYS   1  -7.806  16.072  -3.817
   12   2HE   LYS   1          1HE       LYS   1  -6.847  16.058  -5.292
   13   1HZ   LYS   1          1HZ       LYS   1  -9.329  14.866  -5.815
   14   2HZ   LYS   1          2HZ       LYS   1  -8.676  16.294  -6.457
   15   3HZ   LYS   1          3HZ       LYS   1  -9.596  16.346  -5.028
   16    HA   PRO   2           HA       PRO   2  -6.209   8.017  -0.888
   17   1HB   PRO   2          1HB       PRO   2  -8.397   6.463  -0.791
   18   2HB   PRO   2          2HB       PRO   2  -8.285   7.926   0.195
   19   1HG   PRO   2          2HG       PRO   2  -9.588   7.639  -2.570
   20   2HG   PRO   2          1HG       PRO   2 -10.327   8.266  -1.093
   21   1HD   PRO   2          1HD       PRO   2  -9.206   9.984  -2.909
   22   2HD   PRO   2          2HD       PRO   2  -9.047  10.310  -1.168
   23    H    PHE   3           H        PHE   3  -5.833   5.872  -1.352
   24    HA   PHE   3           HA       PHE   3  -6.001   4.984  -4.204
   25   1HB   PHE   3          1HB       PHE   3  -3.600   4.979  -2.334
   26   2HB   PHE   3          2HB       PHE   3  -3.632   4.102  -3.853
   27    HD1  PHE   3           HD1      PHE   3  -3.440   5.270  -5.966
   28    HD2  PHE   3           HD2      PHE   3  -3.661   7.471  -2.321
   29    HE1  PHE   3           HE1      PHE   3  -2.751   7.306  -7.150
   30    HE2  PHE   3           HE2      PHE   3  -2.977   9.504  -3.512
   31    HZ   PHE   3           HZ       PHE   3  -2.534   9.428  -5.927
   32    H    GLN   4           H        GLN   4  -5.714   2.572  -4.397
   33    HA   GLN   4           HA       GLN   4  -6.237   1.079  -1.873
   34   1HB   GLN   4          1HB       GLN   4  -8.481   1.498  -2.821
   35   2HB   GLN   4          2HB       GLN   4  -7.968   0.854  -4.375
   36   1HG   GLN   4          2HG       GLN   4  -7.623  -1.379  -3.437
   37   2HG   GLN   4          1HG       GLN   4  -7.994  -0.810  -1.815
   38   1HE2  GLN   4          2HE2      GLN   4 -10.020  -1.556  -1.294
   39   2HE2  GLN   4          1HE2      GLN   4 -11.362  -1.587  -2.335
   40    H    CYS   5           H        CYS   5  -5.746  -1.094  -1.914
   41    HA   CYS   5           HA       CYS   5  -3.773  -1.910  -3.975
   42   1HB   CYS   5          1HB       CYS   5  -3.007  -1.995  -1.700
   43   2HB   CYS   5          2HB       CYS   5  -4.408  -2.933  -1.199
   44    H    LYS   6           H        LYS   6  -4.367  -3.425  -5.407
   45    HA   LYS   6           HA       LYS   6  -7.040  -4.732  -5.139
   46   1HB   LYS   6          1HB       LYS   6  -6.849  -5.106  -7.571
   47   2HB   LYS   6          2HB       LYS   6  -6.574  -3.417  -7.193
   48   1HG   LYS   6          2HG       LYS   6  -4.081  -3.845  -7.276
   49   2HG   LYS   6          1HG       LYS   6  -4.400  -5.500  -7.760
   50   1HD   LYS   6          2HD       LYS   6  -5.678  -4.636  -9.760
   51   2HD   LYS   6          1HD       LYS   6  -5.197  -3.006  -9.305
   52   1HE   LYS   6          2HE       LYS   6  -3.261  -5.278  -9.943
   53   2HE   LYS   6          1HE       LYS   6  -3.648  -3.943 -11.018
   54   1HZ   LYS   6          1HZ       LYS   6  -2.921  -2.886  -8.539
   55   2HZ   LYS   6          2HZ       LYS   6  -2.122  -2.744 -10.031
   56   3HZ   LYS   6          3HZ       LYS   6  -1.749  -4.029  -8.985
   57    H    THR   7           H        THR   7  -4.808  -5.530  -3.608
   58    HA   THR   7           HA       THR   7  -4.392  -8.333  -4.558
   59    HB   THR   7           HB       THR   7  -2.438  -6.669  -2.861
   60    HG1  THR   7           HG1      THR   7  -1.909  -5.935  -4.747
   61   1HG2  THR   7          1HG2      THR   7  -2.136  -9.306  -4.423
   62   2HG2  THR   7          2HG2      THR   7  -2.252  -9.233  -2.672
   63   3HG2  THR   7          3HG2      THR   7  -0.876  -8.521  -3.497
   64    H    CYS   8           H        CYS   8  -4.846  -6.111  -1.818
   65    HA   CYS   8           HA       CYS   8  -5.907  -8.456  -0.271
   66   1HB   CYS   8          1HB       CYS   8  -5.038  -7.421   1.775
   67   2HB   CYS   8          2HB       CYS   8  -3.734  -7.715   0.621
   68    H    GLN   9           H        GLN   9  -6.056  -5.068  -0.804
   69    HA   GLN   9           HA       GLN   9  -8.037  -3.770  -1.205
   70   1HB   GLN   9          1HB       GLN   9  -9.440  -5.595   0.849
   71   2HB   GLN   9          2HB       GLN   9 -10.158  -4.210   0.091
   72   1HG   GLN   9          2HG       GLN   9  -9.185  -6.598  -1.525
   73   2HG   GLN   9          1HG       GLN   9 -10.845  -6.304  -1.050
   74   1HE2  GLN   9          2HE2      GLN   9  -8.570  -5.705  -3.487
   75   2HE2  GLN   9          1HE2      GLN   9  -9.378  -4.436  -4.273
   76    H    ARG  10           H        ARG  10  -5.952  -3.067   0.099
   77    HA   ARG  10           HA       ARG  10  -6.833  -1.762   2.658
   78   1HB   ARG  10          1HB       ARG  10  -4.841  -3.234   2.914
   79   2HB   ARG  10          2HB       ARG  10  -4.028  -2.393   1.598
   80   1HG   ARG  10          2HG       ARG  10  -3.964  -0.318   2.895
   81   2HG   ARG  10          1HG       ARG  10  -4.981  -1.018   4.143
   82   1HD   ARG  10          2HD       ARG  10  -3.202  -2.656   4.721
   83   2HD   ARG  10          1HD       ARG  10  -2.188  -2.020   3.444
   84    HE   ARG  10           HE       ARG  10  -1.995   0.073   4.658
   85   1HH1  ARG  10          1HH1      ARG  10  -2.066  -2.635   6.525
   86   2HH1  ARG  10          2HH1      ARG  10  -2.602  -1.865   7.981
   87   1HH2  ARG  10          2HH2      ARG  10  -3.355   1.147   6.378
   88   2HH2  ARG  10          1HH2      ARG  10  -3.349   0.316   7.899
   89    H    LYS  11           H        LYS  11  -6.521   0.510   2.767
   90    HA   LYS  11           HA       LYS  11  -6.072   1.729   0.074
   91   1HB   LYS  11          1HB       LYS  11  -7.628   2.961   2.415
   92   2HB   LYS  11          2HB       LYS  11  -7.457   3.655   0.824
   93   1HG   LYS  11          2HG       LYS  11  -9.547   2.718   0.608
   94   2HG   LYS  11          1HG       LYS  11  -8.572   1.386   0.015
   95   1HD   LYS  11          2HD       LYS  11  -8.651   0.336   2.310
   96   2HD   LYS  11          1HD       LYS  11  -9.586   1.705   2.887
   97   1HE   LYS  11          2HE       LYS  11 -11.130  -0.103   2.375
   98   2HE   LYS  11          1HE       LYS  11 -11.350   1.171   1.180
   99   1HZ   LYS  11          1HZ       LYS  11  -9.355  -0.553   0.259
  100   2HZ   LYS  11          2HZ       LYS  11 -10.894  -0.255  -0.395
  101   3HZ   LYS  11          3HZ       LYS  11 -10.682  -1.494   0.750
  102    H    PHE  12           H        PHE  12  -5.259   3.919   0.124
  103    HA   PHE  12           HA       PHE  12  -3.404   4.553   2.357
  104   1HB   PHE  12          1HB       PHE  12  -2.609   4.296  -0.600
  105   2HB   PHE  12          2HB       PHE  12  -1.546   4.861   0.671
  106    HD1  PHE  12           HD1      PHE  12  -0.895   3.334   2.539
  107    HD2  PHE  12           HD2      PHE  12  -3.215   1.903  -0.744
  108    HE1  PHE  12           HE1      PHE  12  -0.456   1.022   3.223
  109    HE2  PHE  12           HE2      PHE  12  -2.776  -0.405  -0.051
  110    HZ   PHE  12           HZ       PHE  12  -1.401  -0.842   1.931
  111    H    SER  13           H        SER  13  -2.273   6.656   1.738
  112    HA   SER  13           HA       SER  13  -4.385   8.660   1.112
  113   1HB   SER  13          2HB       SER  13  -2.800  10.206   2.379
  114   2HB   SER  13          1HB       SER  13  -3.375   8.861   3.347
  115    HG   SER  13           HG       SER  13  -1.395   8.160   3.435
  116    H    ARG  14           H        ARG  14  -1.073   7.740   0.403
  117    HA   ARG  14           HA       ARG  14  -1.074   9.574  -1.969
  118   1HB   ARG  14          1HB       ARG  14   1.261   8.457  -0.381
  119   2HB   ARG  14          2HB       ARG  14   1.424   9.479  -1.798
  120   1HG   ARG  14          2HG       ARG  14   0.261  11.293  -0.724
  121   2HG   ARG  14          1HG       ARG  14   0.164  10.364   0.773
  122   1HD   ARG  14          2HD       ARG  14   2.496  10.340   1.093
  123   2HD   ARG  14          1HD       ARG  14   2.873  10.579  -0.593
  124    HE   ARG  14           HE       ARG  14   3.299  12.628   0.613
  125   1HH1  ARG  14          2HH2      ARG  14   0.875  12.685   2.360
  126   2HH1  ARG  14          1HH2      ARG  14  -0.087  13.920   1.621
  127   1HH2  ARG  14          1HH1      ARG  14   1.758  13.818  -1.364
  128   2HH2  ARG  14          2HH1      ARG  14   0.431  14.584  -0.559
  129    H    SER  15           H        SER  15   0.516   8.721  -3.642
  130    HA   SER  15           HA       SER  15  -0.386   6.011  -4.417
  131   1HB   SER  15          2HB       SER  15   0.590   6.645  -6.658
  132   2HB   SER  15          1HB       SER  15  -0.517   7.855  -6.071
  133    HG   SER  15           HG       SER  15   1.837   8.403  -4.996
  134    H    ASP  16           H        ASP  16   2.583   7.738  -3.542
  135    HA   ASP  16           HA       ASP  16   4.387   5.615  -4.265
  136   1HB   ASP  16          1HB       ASP  16   6.003   6.778  -2.699
  137   2HB   ASP  16          2HB       ASP  16   5.256   7.918  -3.822
  138    H    HIS  17           H        HIS  17   2.323   6.368  -1.601
  139    HA   HIS  17           HA       HIS  17   3.307   4.520   0.310
  140   1HB   HIS  17          1HB       HIS  17   0.528   5.719  -0.157
  141   2HB   HIS  17          2HB       HIS  17   0.869   4.701   1.232
  142    HD1  HIS  17           HD1      HIS  17   0.193   7.353   2.150
  143    HD2  HIS  17           HD2      HIS  17   4.018   6.685   0.879
  144    HE1  HIS  17           HE1      HIS  17   1.565   9.101   3.148
  145    H    LEU  18           H        LEU  18   0.472   4.309  -1.819
  146    HA   LEU  18           HA       LEU  18  -0.207   1.649  -1.559
  147   1HB   LEU  18          1HB       LEU  18  -1.430   3.310  -2.981
  148   2HB   LEU  18          2HB       LEU  18  -0.124   3.262  -4.158
  149    HG   LEU  18           HG       LEU  18  -0.596   0.764  -4.440
  150   1HD1  LEU  18          1HD1      LEU  18  -3.071   1.408  -2.819
  151   2HD1  LEU  18          2HD1      LEU  18  -1.750   0.364  -2.299
  152   3HD1  LEU  18          3HD1      LEU  18  -2.732  -0.092  -3.668
  153   1HD2  LEU  18          1HD2      LEU  18  -1.459   2.484  -6.035
  154   2HD2  LEU  18          2HD2      LEU  18  -2.892   2.684  -5.043
  155   3HD2  LEU  18          3HD2      LEU  18  -2.596   1.160  -5.851
  156    H    LYS  19           H        LYS  19   2.191   2.935  -3.843
  157    HA   LYS  19           HA       LYS  19   3.061   0.527  -4.994
  158   1HB   LYS  19          1HB       LYS  19   3.679   2.843  -5.744
  159   2HB   LYS  19          2HB       LYS  19   4.654   3.050  -4.305
  160   1HG   LYS  19          2HG       LYS  19   6.132   1.160  -5.063
  161   2HG   LYS  19          1HG       LYS  19   5.177   1.050  -6.537
  162   1HD   LYS  19          2HD       LYS  19   5.718   3.437  -7.048
  163   2HD   LYS  19          1HD       LYS  19   6.663   3.538  -5.572
  164   1HE   LYS  19          2HE       LYS  19   8.169   3.136  -7.470
  165   2HE   LYS  19          1HE       LYS  19   8.149   1.703  -6.450
  166   1HZ   LYS  19          1HZ       LYS  19   6.078   1.472  -8.298
  167   2HZ   LYS  19          2HZ       LYS  19   7.475   0.522  -8.152
  168   3HZ   LYS  19          3HZ       LYS  19   7.487   1.901  -9.143
  169    H    THR  20           H        THR  20   4.691   2.194  -2.279
  170    HA   THR  20           HA       THR  20   6.556   0.252  -1.640
  171    HB   THR  20           HB       THR  20   4.966   1.976   0.378
  172    HG1  THR  20           HG1      THR  20   6.567   2.554  -1.673
  173   1HG2  THR  20          1HG2      THR  20   7.842   0.893   0.464
  174   2HG2  THR  20          2HG2      THR  20   6.538   0.249   1.446
  175   3HG2  THR  20          3HG2      THR  20   7.083   1.898   1.690
  176    H    HIS  21           H        HIS  21   3.240   0.425  -0.662
  177    HA   HIS  21           HA       HIS  21   3.171  -1.840   1.054
  178   1HB   HIS  21          1HB       HIS  21   1.407  -0.211   1.208
  179   2HB   HIS  21          2HB       HIS  21   0.977  -0.384  -0.479
  180    HD1  HIS  21           HD1      HIS  21   0.737  -2.281   2.728
  181    HD2  HIS  21           HD2      HIS  21  -0.568  -2.606  -1.141
  182    HE1  HIS  21           HE1      HIS  21  -0.892  -4.144   2.691
  183    H    THR  22           H        THR  22   1.941  -1.666  -2.323
  184    HA   THR  22           HA       THR  22   1.081  -4.211  -2.710
  185    HB   THR  22           HB       THR  22   1.811  -3.638  -5.193
  186    HG1  THR  22           HG1      THR  22   2.341  -1.217  -3.927
  187   1HG2  THR  22          1HG2      THR  22   0.199  -1.564  -3.622
  188   2HG2  THR  22          2HG2      THR  22  -0.481  -3.049  -4.263
  189   3HG2  THR  22          3HG2      THR  22   0.128  -1.819  -5.359
  190    H    ARG  23           H        ARG  23   4.429  -3.072  -2.863
  191    HA   ARG  23           HA       ARG  23   5.239  -5.733  -3.682
  192   1HB   ARG  23          1HB       ARG  23   7.600  -4.865  -3.472
  193   2HB   ARG  23          2HB       ARG  23   6.574  -3.912  -4.521
  194   1HG   ARG  23          2HG       ARG  23   6.326  -2.169  -2.878
  195   2HG   ARG  23          1HG       ARG  23   6.987  -3.173  -1.600
  196   1HD   ARG  23          2HD       ARG  23   8.608  -1.443  -2.513
  197   2HD   ARG  23          1HD       ARG  23   9.208  -3.096  -2.584
  198    HE   ARG  23           HE       ARG  23   8.015  -1.698  -4.958
  199   1HH1  ARG  23          1HH1      ARG  23   8.475  -4.560  -5.328
  200   2HH1  ARG  23          2HH1      ARG  23  10.095  -4.638  -5.939
  201   1HH2  ARG  23          2HH2      ARG  23  10.864  -1.390  -4.886
  202   2HH2  ARG  23          1HH2      ARG  23  11.481  -2.800  -5.682
  203    H    THR  24           H        THR  24   3.842  -5.769  -1.290
  204    HA   THR  24           HA       THR  24   5.834  -6.789   0.689
  205    HB   THR  24           HB       THR  24   4.390  -4.653   1.429
  206    HG1  THR  24           HG1      THR  24   5.100  -5.549   3.166
  207   1HG2  THR  24          1HG2      THR  24   2.343  -6.914   1.943
  208   2HG2  THR  24          2HG2      THR  24   2.083  -5.742   0.671
  209   3HG2  THR  24          3HG2      THR  24   2.165  -5.221   2.344
  210    H    HIS  25           H        HIS  25   3.525  -7.422  -1.555
  211    HA   HIS  25           HA       HIS  25   2.390  -9.851  -0.309
  212   1HB   HIS  25          1HB       HIS  25   1.824  -8.340  -2.909
  213   2HB   HIS  25          2HB       HIS  25   1.007  -9.828  -2.470
  214    HD1  HIS  25           HD1      HIS  25   0.271  -9.358   0.356
  215    HD2  HIS  25           HD2      HIS  25  -0.024  -6.296  -2.344
  216    HE1  HIS  25           HE1      HIS  25  -1.353  -7.759   1.289
  217    H    THR  26           H        THR  26   4.741  -8.677  -2.488
  218    HA   THR  26           HA       THR  26   5.476 -11.430  -3.374
  219    HB   THR  26           HB       THR  26   4.802  -9.966  -5.316
  220    HG1  THR  26           HG1      THR  26   7.475  -9.914  -5.704
  221   1HG2  THR  26          1HG2      THR  26   7.157  -8.175  -4.459
  222   2HG2  THR  26          2HG2      THR  26   5.468  -7.722  -4.288
  223   3HG2  THR  26          3HG2      THR  26   6.153  -7.973  -5.882
  224    H    GLY  27           H        GLY  27   6.588  -8.340  -2.298
  225   1HA   GLY  27          1HA       GLY  27   9.234  -9.509  -1.464
  226   2HA   GLY  27          2HA       GLY  27   9.016  -7.831  -1.946
  227    H    GLU  28           H        GLU  28   7.176  -9.927   0.171
  228    HA   GLU  28           HA       GLU  28   6.118  -8.499   2.088
  229   1HB   GLU  28          1HB       GLU  28   6.327 -11.011   2.064
  230   2HB   GLU  28          2HB       GLU  28   7.920 -10.863   2.773
  231   1HG   GLU  28          2HG       GLU  28   6.199 -11.317   4.518
  232   2HG   GLU  28          1HG       GLU  28   6.938  -9.753   4.782
  233    H    LYS  29           H        LYS  29   6.551  -6.795   3.145
  234    HA   LYS  29           HA       LYS  29   8.186  -5.036   3.707
  235   1HB   LYS  29          1HB       LYS  29   7.786  -4.994   6.148
  236   2HB   LYS  29          2HB       LYS  29   6.353  -5.461   5.258
  237   1HG   LYS  29          2HG       LYS  29   6.876  -7.885   5.763
  238   2HG   LYS  29          1HG       LYS  29   8.264  -7.372   6.691
  239   1HD   LYS  29          2HD       LYS  29   6.448  -7.810   8.237
  240   2HD   LYS  29          1HD       LYS  29   6.759  -6.090   8.225
  241   1HE   LYS  29          2HE       LYS  29   4.804  -5.728   6.707
  242   2HE   LYS  29          1HE       LYS  29   4.523  -7.461   6.664
  243   1HZ   LYS  29          1HZ       LYS  29   4.671  -6.677   9.335
  244   2HZ   LYS  29          2HZ       LYS  29   3.337  -7.277   8.475
  245   3HZ   LYS  29          3HZ       LYS  29   3.627  -5.608   8.529
  Start of MODEL    9
    1   1H    LYS   1          1H        LYS   1  -4.786  11.379  -1.288
    2   2H    LYS   1          2H        LYS   1  -5.591  12.779  -0.772
    3   3H    LYS   1          3H        LYS   1  -5.211  12.572  -2.412
    4    HA   LYS   1           HA       LYS   1  -7.537  11.836  -1.046
    5   1HB   LYS   1          2HB       LYS   1  -8.338  11.506  -3.370
    6   2HB   LYS   1          1HB       LYS   1  -7.207  12.817  -3.349
    7   1HG   LYS   1          2HG       LYS   1  -5.442  11.563  -4.320
    8   2HG   LYS   1          1HG       LYS   1  -6.242  10.030  -4.023
    9   1HD   LYS   1          2HD       LYS   1  -6.429  10.650  -6.399
   10   2HD   LYS   1          1HD       LYS   1  -8.007  10.569  -5.647
   11   1HE   LYS   1          2HE       LYS   1  -7.975  13.089  -5.398
   12   2HE   LYS   1          1HE       LYS   1  -6.432  13.115  -6.242
   13   1HZ   LYS   1          1HZ       LYS   1  -8.212  11.582  -7.741
   14   2HZ   LYS   1          2HZ       LYS   1  -7.528  13.088  -8.131
   15   3HZ   LYS   1          3HZ       LYS   1  -9.010  13.015  -7.303
   16    HA   PRO   2           HA       PRO   2  -7.035   7.544  -0.450
   17   1HB   PRO   2          1HB       PRO   2  -9.395   6.384  -0.855
   18   2HB   PRO   2          2HB       PRO   2  -9.272   7.765   0.241
   19   1HG   PRO   2          2HG       PRO   2 -10.190   7.726  -2.664
   20   2HG   PRO   2          1HG       PRO   2 -10.929   8.561  -1.300
   21   1HD   PRO   2          1HD       PRO   2  -9.130   9.717  -3.129
   22   2HD   PRO   2          2HD       PRO   2  -9.459  10.408  -1.518
   23    H    PHE   3           H        PHE   3  -5.982   6.003  -1.254
   24    HA   PHE   3           HA       PHE   3  -6.257   5.088  -4.104
   25   1HB   PHE   3          1HB       PHE   3  -3.792   5.334  -2.318
   26   2HB   PHE   3          2HB       PHE   3  -3.774   4.552  -3.889
   27    HD1  PHE   3           HD1      PHE   3  -4.185   5.914  -5.949
   28    HD2  PHE   3           HD2      PHE   3  -3.892   7.736  -2.113
   29    HE1  PHE   3           HE1      PHE   3  -3.863   8.092  -7.012
   30    HE2  PHE   3           HE2      PHE   3  -3.579   9.926  -3.177
   31    HZ   PHE   3           HZ       PHE   3  -3.568  10.113  -5.628
   32    H    GLN   4           H        GLN   4  -5.733   2.696  -4.315
   33    HA   GLN   4           HA       GLN   4  -5.774   1.267  -1.726
   34   1HB   GLN   4          1HB       GLN   4  -8.195   1.809  -2.600
   35   2HB   GLN   4          2HB       GLN   4  -7.882   0.568  -3.800
   36   1HG   GLN   4          2HG       GLN   4  -7.303  -1.017  -1.855
   37   2HG   GLN   4          1HG       GLN   4  -7.864   0.247  -0.771
   38   1HE2  GLN   4          2HE2      GLN   4  -8.753  -2.392  -2.563
   39   2HE2  GLN   4          1HE2      GLN   4 -10.448  -2.227  -2.505
   40    H    CYS   5           H        CYS   5  -5.472  -0.994  -1.850
   41    HA   CYS   5           HA       CYS   5  -3.615  -1.792  -3.999
   42   1HB   CYS   5          1HB       CYS   5  -2.911  -2.019  -1.729
   43   2HB   CYS   5          2HB       CYS   5  -4.342  -2.962  -1.329
   44    H    LYS   6           H        LYS   6  -4.040  -3.425  -5.321
   45    HA   LYS   6           HA       LYS   6  -6.819  -4.532  -5.386
   46   1HB   LYS   6          1HB       LYS   6  -5.870  -3.120  -7.318
   47   2HB   LYS   6          2HB       LYS   6  -4.743  -4.420  -7.606
   48   1HG   LYS   6          2HG       LYS   6  -6.979  -5.912  -7.735
   49   2HG   LYS   6          1HG       LYS   6  -7.763  -4.364  -7.916
   50   1HD   LYS   6          2HD       LYS   6  -7.321  -5.186 -10.159
   51   2HD   LYS   6          1HD       LYS   6  -6.217  -3.856  -9.871
   52   1HE   LYS   6          2HE       LYS   6  -5.049  -5.797 -10.904
   53   2HE   LYS   6          1HE       LYS   6  -4.392  -5.496  -9.309
   54   1HZ   LYS   6          1HZ       LYS   6  -6.615  -7.225  -9.133
   55   2HZ   LYS   6          2HZ       LYS   6  -5.011  -7.490  -8.664
   56   3HZ   LYS   6          3HZ       LYS   6  -5.505  -7.836 -10.260
   57    H    THR   7           H        THR   7  -4.685  -5.431  -3.674
   58    HA   THR   7           HA       THR   7  -4.373  -8.228  -4.661
   59    HB   THR   7           HB       THR   7  -2.300  -6.653  -3.013
   60    HG1  THR   7           HG1      THR   7  -1.761  -5.984  -4.925
   61   1HG2  THR   7          1HG2      THR   7  -2.196  -9.308  -4.582
   62   2HG2  THR   7          2HG2      THR   7  -2.262  -9.242  -2.832
   63   3HG2  THR   7          3HG2      THR   7  -0.866  -8.606  -3.688
   64    H    CYS   8           H        CYS   8  -4.733  -6.036  -1.884
   65    HA   CYS   8           HA       CYS   8  -5.786  -8.383  -0.333
   66   1HB   CYS   8          1HB       CYS   8  -4.967  -7.268   1.695
   67   2HB   CYS   8          2HB       CYS   8  -3.659  -7.635   0.572
   68    H    GLN   9           H        GLN   9  -5.934  -5.000  -0.882
   69    HA   GLN   9           HA       GLN   9  -7.877  -3.679  -1.261
   70   1HB   GLN   9          1HB       GLN   9  -9.368  -5.534   0.709
   71   2HB   GLN   9          2HB       GLN   9 -10.055  -4.178  -0.133
   72   1HG   GLN   9          2HG       GLN   9  -8.924  -6.622  -1.588
   73   2HG   GLN   9          1HG       GLN   9 -10.618  -6.320  -1.272
   74   1HE2  GLN   9          2HE2      GLN   9  -8.014  -5.665  -3.423
   75   2HE2  GLN   9          1HE2      GLN   9  -8.823  -4.543  -4.405
   76    H    ARG  10           H        ARG  10  -5.819  -3.030   0.117
   77    HA   ARG  10           HA       ARG  10  -6.746  -1.828   2.707
   78   1HB   ARG  10          1HB       ARG  10  -4.712  -3.275   2.966
   79   2HB   ARG  10          2HB       ARG  10  -3.903  -2.386   1.681
   80   1HG   ARG  10          2HG       ARG  10  -4.023  -0.303   3.044
   81   2HG   ARG  10          1HG       ARG  10  -4.910  -1.167   4.288
   82   1HD   ARG  10          2HD       ARG  10  -2.955  -2.595   4.749
   83   2HD   ARG  10          1HD       ARG  10  -2.065  -1.888   3.421
   84    HE   ARG  10           HE       ARG  10  -1.427  -0.786   5.561
   85   1HH1  ARG  10          2HH2      ARG  10  -4.438  -0.387   6.248
   86   2HH1  ARG  10          1HH2      ARG  10  -4.543   1.337   6.110
   87   1HH2  ARG  10          1HH1      ARG  10  -1.487   1.606   4.433
   88   2HH2  ARG  10          2HH1      ARG  10  -2.843   2.482   5.056
   89    H    LYS  11           H        LYS  11  -6.438   0.467   2.865
   90    HA   LYS  11           HA       LYS  11  -5.921   1.709   0.194
   91   1HB   LYS  11          1HB       LYS  11  -7.502   3.372   0.680
   92   2HB   LYS  11          2HB       LYS  11  -8.250   1.880   1.176
   93   1HG   LYS  11          2HG       LYS  11  -7.634   2.317   3.551
   94   2HG   LYS  11          1HG       LYS  11  -6.919   3.847   3.088
   95   1HD   LYS  11          2HD       LYS  11  -9.848   3.071   2.756
   96   2HD   LYS  11          1HD       LYS  11  -9.210   4.199   3.933
   97   1HE   LYS  11          2HE       LYS  11  -9.178   4.607   0.894
   98   2HE   LYS  11          1HE       LYS  11 -10.171   5.452   2.061
   99   1HZ   LYS  11          1HZ       LYS  11  -7.555   5.699   2.924
  100   2HZ   LYS  11          2HZ       LYS  11  -8.579   6.905   2.309
  101   3HZ   LYS  11          3HZ       LYS  11  -7.545   6.052   1.269
  102    H    PHE  12           H        PHE  12  -5.083   3.755   0.147
  103    HA   PHE  12           HA       PHE  12  -3.222   4.522   2.333
  104   1HB   PHE  12          1HB       PHE  12  -2.571   4.298  -0.655
  105   2HB   PHE  12          2HB       PHE  12  -1.449   4.795   0.598
  106    HD1  PHE  12           HD1      PHE  12  -0.780   3.184   2.392
  107    HD2  PHE  12           HD2      PHE  12  -3.263   1.918  -0.847
  108    HE1  PHE  12           HE1      PHE  12  -0.408   0.836   2.998
  109    HE2  PHE  12           HE2      PHE  12  -2.871  -0.429  -0.217
  110    HZ   PHE  12           HZ       PHE  12  -1.467  -0.949   1.692
  111    H    SER  13           H        SER  13  -2.146   6.635   1.651
  112    HA   SER  13           HA       SER  13  -4.305   8.608   1.115
  113   1HB   SER  13          2HB       SER  13  -2.750  10.187   2.335
  114   2HB   SER  13          1HB       SER  13  -3.229   8.809   3.309
  115    HG   SER  13           HG       SER  13  -1.203   8.252   3.349
  116    H    ARG  14           H        ARG  14  -1.133   7.622   0.074
  117    HA   ARG  14           HA       ARG  14  -1.188   9.678  -2.116
  118   1HB   ARG  14          1HB       ARG  14   1.262   8.258  -0.979
  119   2HB   ARG  14          2HB       ARG  14   1.232   9.600  -2.124
  120   1HG   ARG  14          2HG       ARG  14   0.251  11.080  -0.387
  121   2HG   ARG  14          1HG       ARG  14   0.300   9.775   0.775
  122   1HD   ARG  14          2HD       ARG  14   2.392  10.482   1.329
  123   2HD   ARG  14          1HD       ARG  14   2.938   9.849  -0.205
  124    HE   ARG  14           HE       ARG  14   1.980  12.665   0.106
  125   1HH1  ARG  14          1HH1      ARG  14   2.518  11.474  -2.613
  126   2HH1  ARG  14          2HH1      ARG  14   4.124  12.041  -2.933
  127   1HH2  ARG  14          2HH2      ARG  14   4.705  12.875   0.423
  128   2HH2  ARG  14          1HH2      ARG  14   5.398  12.851  -1.164
  129    H    SER  15           H        SER  15   0.316   8.740  -3.988
  130    HA   SER  15           HA       SER  15  -0.747   6.010  -4.633
  131   1HB   SER  15          2HB       SER  15  -0.698   6.753  -6.990
  132   2HB   SER  15          1HB       SER  15  -1.442   7.985  -6.004
  133    HG   SER  15           HG       SER  15   0.090   9.269  -6.525
  134    H    ASP  16           H        ASP  16   1.684   6.919  -3.206
  135    HA   ASP  16           HA       ASP  16   3.779   5.407  -4.717
  136   1HB   ASP  16          1HB       ASP  16   5.388   6.859  -3.259
  137   2HB   ASP  16          2HB       ASP  16   4.571   7.691  -4.575
  138    H    HIS  17           H        HIS  17   2.158   6.164  -1.727
  139    HA   HIS  17           HA       HIS  17   3.554   4.400   0.053
  140   1HB   HIS  17          1HB       HIS  17   0.640   5.372  -0.028
  141   2HB   HIS  17          2HB       HIS  17   1.256   4.398   1.295
  142    HD1  HIS  17           HD1      HIS  17   0.328   7.091   2.086
  143    HD2  HIS  17           HD2      HIS  17   4.182   6.573   0.839
  144    HE1  HIS  17           HE1      HIS  17   1.616   8.951   3.012
  145    H    LEU  18           H        LEU  18   0.622   4.107  -1.807
  146    HA   LEU  18           HA       LEU  18  -0.206   1.555  -1.551
  147   1HB   LEU  18          1HB       LEU  18  -1.222   3.223  -3.078
  148   2HB   LEU  18          2HB       LEU  18   0.141   3.067  -4.180
  149    HG   LEU  18           HG       LEU  18  -0.455   0.647  -4.518
  150   1HD1  LEU  18          1HD1      LEU  18  -2.890   1.285  -2.856
  151   2HD1  LEU  18          2HD1      LEU  18  -1.574   0.210  -2.384
  152   3HD1  LEU  18          3HD1      LEU  18  -2.567  -0.181  -3.767
  153   1HD2  LEU  18          1HD2      LEU  18  -1.338   2.438  -6.052
  154   2HD2  LEU  18          2HD2      LEU  18  -2.742   2.620  -5.013
  155   3HD2  LEU  18          3HD2      LEU  18  -2.480   1.118  -5.891
  156    H    LYS  19           H        LYS  19   2.347   2.439  -3.888
  157    HA   LYS  19           HA       LYS  19   2.981  -0.221  -4.697
  158   1HB   LYS  19          1HB       LYS  19   3.821   1.523  -6.088
  159   2HB   LYS  19          2HB       LYS  19   4.484   2.422  -4.744
  160   1HG   LYS  19          2HG       LYS  19   6.251   1.383  -6.133
  161   2HG   LYS  19          1HG       LYS  19   6.316   0.798  -4.490
  162   1HD   LYS  19          2HD       LYS  19   5.051  -1.286  -5.262
  163   2HD   LYS  19          1HD       LYS  19   5.153  -0.667  -6.901
  164   1HE   LYS  19          2HE       LYS  19   7.628  -0.687  -6.781
  165   2HE   LYS  19          1HE       LYS  19   7.563  -1.178  -5.094
  166   1HZ   LYS  19          1HZ       LYS  19   6.034  -2.977  -6.589
  167   2HZ   LYS  19          2HZ       LYS  19   7.467  -3.256  -5.726
  168   3HZ   LYS  19          3HZ       LYS  19   7.541  -2.788  -7.356
  169    H    THR  20           H        THR  20   4.746   1.880  -2.456
  170    HA   THR  20           HA       THR  20   6.647   0.177  -1.456
  171    HB   THR  20           HB       THR  20   5.010   2.213   0.212
  172    HG1  THR  20           HG1      THR  20   5.743   3.158  -1.615
  173   1HG2  THR  20          1HG2      THR  20   7.977   1.398   0.308
  174   2HG2  THR  20          2HG2      THR  20   6.807   0.815   1.482
  175   3HG2  THR  20          3HG2      THR  20   7.174   2.526   1.391
  176    H    HIS  21           H        HIS  21   3.319   0.167  -0.779
  177    HA   HIS  21           HA       HIS  21   3.408  -1.792   1.376
  178   1HB   HIS  21          1HB       HIS  21   1.566  -0.345   1.625
  179   2HB   HIS  21          2HB       HIS  21   1.230  -0.253  -0.089
  180    HD1  HIS  21           HD1      HIS  21   0.671  -2.468   2.828
  181    HD2  HIS  21           HD2      HIS  21  -0.369  -2.413  -1.149
  182    HE1  HIS  21           HE1      HIS  21  -1.012  -4.249   2.495
  183    H    THR  22           H        THR  22   2.046  -1.874  -1.899
  184    HA   THR  22           HA       THR  22   1.136  -4.437  -2.101
  185    HB   THR  22           HB       THR  22   2.682  -3.161  -4.387
  186    HG1  THR  22           HG1      THR  22   1.244  -1.617  -4.143
  187   1HG2  THR  22          1HG2      THR  22   0.090  -4.781  -4.299
  188   2HG2  THR  22          2HG2      THR  22   1.645  -5.458  -4.762
  189   3HG2  THR  22          3HG2      THR  22   0.905  -4.212  -5.747
  190    H    ARG  23           H        ARG  23   4.443  -3.377  -2.165
  191    HA   ARG  23           HA       ARG  23   5.413  -5.959  -3.003
  192   1HB   ARG  23          1HB       ARG  23   7.701  -5.026  -2.477
  193   2HB   ARG  23          2HB       ARG  23   6.763  -4.027  -3.564
  194   1HG   ARG  23          2HG       ARG  23   6.319  -2.392  -1.944
  195   2HG   ARG  23          1HG       ARG  23   6.649  -3.464  -0.595
  196   1HD   ARG  23          2HD       ARG  23   8.805  -2.641  -2.577
  197   2HD   ARG  23          1HD       ARG  23   8.478  -1.742  -1.098
  198    HE   ARG  23           HE       ARG  23   9.238  -4.652  -1.082
  199   1HH1  ARG  23          1HH1      ARG  23  11.442  -2.710  -0.822
  200   2HH1  ARG  23          2HH1      ARG  23  11.581  -2.508   0.892
  201   1HH2  ARG  23          2HH2      ARG  23   8.409  -3.885   1.497
  202   2HH2  ARG  23          1HH2      ARG  23   9.808  -3.195   2.250
  203    H    THR  24           H        THR  24   3.800  -6.254  -0.906
  204    HA   THR  24           HA       THR  24   5.389  -7.334   1.356
  205    HB   THR  24           HB       THR  24   3.793  -5.408   2.046
  206    HG1  THR  24           HG1      THR  24   2.533  -7.541   3.122
  207   1HG2  THR  24          1HG2      THR  24   1.610  -7.433   1.250
  208   2HG2  THR  24          2HG2      THR  24   1.920  -5.989   0.309
  209   3HG2  THR  24          3HG2      THR  24   1.352  -5.853   1.965
  210    H    HIS  25           H        HIS  25   3.145  -7.565  -1.189
  211    HA   HIS  25           HA       HIS  25   2.196 -10.301  -0.694
  212   1HB   HIS  25          1HB       HIS  25   1.752  -8.427  -3.086
  213   2HB   HIS  25          2HB       HIS  25   0.833  -9.873  -2.710
  214    HD1  HIS  25           HD1      HIS  25  -0.063  -9.488   0.024
  215    HD2  HIS  25           HD2      HIS  25   0.144  -6.236  -2.472
  216    HE1  HIS  25           HE1      HIS  25  -1.587  -7.801   0.963
  217    H    THR  26           H        THR  26   4.089  -8.312  -2.810
  218    HA   THR  26           HA       THR  26   5.593 -10.663  -3.905
  219    HB   THR  26           HB       THR  26   5.007  -7.936  -5.263
  220    HG1  THR  26           HG1      THR  26   3.636 -10.238  -4.977
  221   1HG2  THR  26          1HG2      THR  26   6.153 -10.559  -6.416
  222   2HG2  THR  26          2HG2      THR  26   7.153  -9.159  -6.078
  223   3HG2  THR  26          3HG2      THR  26   5.898  -9.060  -7.297
  224    H    GLY  27           H        GLY  27   6.217  -9.925  -1.601
  225   1HA   GLY  27          1HA       GLY  27   7.550  -8.268  -0.278
  226   2HA   GLY  27          2HA       GLY  27   8.450  -9.695  -0.694
  227    H    GLU  28           H        GLU  28   9.507  -9.516  -2.908
  228    HA   GLU  28           HA       GLU  28  11.172  -7.046  -2.957
  229   1HB   GLU  28          1HB       GLU  28  12.326  -9.267  -2.720
  230   2HB   GLU  28          2HB       GLU  28  11.611  -9.793  -4.231
  231   1HG   GLU  28          2HG       GLU  28  12.799  -7.873  -5.406
  232   2HG   GLU  28          1HG       GLU  28  13.540  -7.436  -3.879
  233    H    LYS  29           H        LYS  29   9.554  -5.908  -3.882
  234    HA   LYS  29           HA       LYS  29   9.006  -4.576  -5.760
  235   1HB   LYS  29          1HB       LYS  29   9.140  -7.123  -7.491
  236   2HB   LYS  29          2HB       LYS  29   8.871  -5.499  -8.056
  237   1HG   LYS  29          2HG       LYS  29  11.487  -6.453  -6.789
  238   2HG   LYS  29          1HG       LYS  29  11.196  -6.174  -8.483
  239   1HD   LYS  29          2HD       LYS  29  10.854  -3.772  -8.086
  240   2HD   LYS  29          1HD       LYS  29  10.992  -3.999  -6.350
  241   1HE   LYS  29          2HE       LYS  29  13.212  -4.615  -8.349
  242   2HE   LYS  29          1HE       LYS  29  13.134  -3.196  -7.318
  243   1HZ   LYS  29          1HZ       LYS  29  12.769  -5.440  -5.704
  244   2HZ   LYS  29          2HZ       LYS  29  14.068  -4.350  -5.716
  245   3HZ   LYS  29          3HZ       LYS  29  14.112  -5.734  -6.699
  Start of MODEL   10
    1   1H    LYS   1          1H        LYS   1  -9.566  11.217  -1.409
    2   2H    LYS   1          2H        LYS   1 -10.324  11.682  -2.856
    3   3H    LYS   1          3H        LYS   1  -9.318  12.777  -2.033
    4    HA   LYS   1           HA       LYS   1  -8.636  10.935  -4.024
    5   1HB   LYS   1          2HB       LYS   1  -7.792  13.265  -3.722
    6   2HB   LYS   1          1HB       LYS   1  -6.971  12.779  -2.261
    7   1HG   LYS   1          2HG       LYS   1  -5.796  10.981  -3.934
    8   2HG   LYS   1          1HG       LYS   1  -6.364  12.081  -5.160
    9   1HD   LYS   1          2HD       LYS   1  -4.066  12.655  -4.577
   10   2HD   LYS   1          1HD       LYS   1  -5.121  13.956  -4.062
   11   1HE   LYS   1          2HE       LYS   1  -5.047  13.187  -1.738
   12   2HE   LYS   1          1HE       LYS   1  -4.204  11.718  -2.195
   13   1HZ   LYS   1          1HZ       LYS   1  -2.762  13.913  -3.145
   14   2HZ   LYS   1          2HZ       LYS   1  -2.316  12.786  -1.952
   15   3HZ   LYS   1          3HZ       LYS   1  -3.144  14.202  -1.515
   16    HA   PRO   2           HA       PRO   2  -6.961   7.906  -0.985
   17   1HB   PRO   2          1HB       PRO   2  -8.812   6.073  -0.758
   18   2HB   PRO   2          2HB       PRO   2  -9.088   7.643   0.002
   19   1HG   PRO   2          2HG       PRO   2 -10.172   6.652  -2.696
   20   2HG   PRO   2          1HG       PRO   2 -11.049   7.470  -1.404
   21   1HD   PRO   2          1HD       PRO   2  -9.879   8.794  -3.651
   22   2HD   PRO   2          2HD       PRO   2 -10.368   9.578  -2.130
   23    H    PHE   3           H        PHE   3  -6.180   5.894  -1.417
   24    HA   PHE   3           HA       PHE   3  -6.092   5.011  -4.283
   25   1HB   PHE   3          1HB       PHE   3  -3.934   5.202  -2.145
   26   2HB   PHE   3          2HB       PHE   3  -3.709   4.204  -3.574
   27    HD1  PHE   3           HD1      PHE   3  -3.228   5.207  -5.698
   28    HD2  PHE   3           HD2      PHE   3  -4.274   7.693  -2.399
   29    HE1  PHE   3           HE1      PHE   3  -2.549   7.187  -6.974
   30    HE2  PHE   3           HE2      PHE   3  -3.594   9.675  -3.682
   31    HZ   PHE   3           HZ       PHE   3  -2.734   9.423  -5.972
   32    H    GLN   4           H        GLN   4  -5.823   2.658  -4.488
   33    HA   GLN   4           HA       GLN   4  -6.551   1.127  -2.029
   34   1HB   GLN   4          1HB       GLN   4  -8.590   1.766  -3.405
   35   2HB   GLN   4          2HB       GLN   4  -7.922   0.855  -4.738
   36   1HG   GLN   4          2HG       GLN   4  -9.590  -0.489  -3.599
   37   2HG   GLN   4          1HG       GLN   4  -8.010  -1.224  -3.386
   38   1HE2  GLN   4          2HE2      GLN   4  -7.694  -1.885  -1.337
   39   2HE2  GLN   4          1HE2      GLN   4  -8.311  -1.165   0.072
   40    H    CYS   5           H        CYS   5  -5.885  -1.016  -1.934
   41    HA   CYS   5           HA       CYS   5  -3.784  -1.814  -3.901
   42   1HB   CYS   5          1HB       CYS   5  -3.090  -1.944  -1.573
   43   2HB   CYS   5          2HB       CYS   5  -4.529  -2.857  -1.142
   44    H    LYS   6           H        LYS   6  -4.313  -3.471  -5.268
   45    HA   LYS   6           HA       LYS   6  -7.038  -4.679  -4.952
   46   1HB   LYS   6          1HB       LYS   6  -5.279  -4.401  -7.428
   47   2HB   LYS   6          2HB       LYS   6  -6.849  -5.162  -7.400
   48   1HG   LYS   6          2HG       LYS   6  -7.298  -2.963  -8.202
   49   2HG   LYS   6          1HG       LYS   6  -7.823  -2.954  -6.533
   50   1HD   LYS   6          2HD       LYS   6  -6.656  -0.888  -6.973
   51   2HD   LYS   6          1HD       LYS   6  -5.659  -1.802  -5.889
   52   1HE   LYS   6          2HE       LYS   6  -4.377  -2.619  -8.011
   53   2HE   LYS   6          1HE       LYS   6  -5.271  -1.365  -8.862
   54   1HZ   LYS   6          1HZ       LYS   6  -4.230  -0.275  -6.518
   55   2HZ   LYS   6          2HZ       LYS   6  -3.836   0.103  -8.132
   56   3HZ   LYS   6          3HZ       LYS   6  -2.982  -1.111  -7.306
   57    H    THR   7           H        THR   7  -4.789  -5.477  -3.473
   58    HA   THR   7           HA       THR   7  -4.431  -8.286  -4.419
   59    HB   THR   7           HB       THR   7  -2.417  -6.687  -2.723
   60    HG1  THR   7           HG1      THR   7  -1.952  -5.816  -4.579
   61   1HG2  THR   7          1HG2      THR   7  -2.186  -9.198  -4.495
   62   2HG2  THR   7          2HG2      THR   7  -2.301  -9.274  -2.746
   63   3HG2  THR   7          3HG2      THR   7  -0.904  -8.532  -3.507
   64    H    CYS   8           H        CYS   8  -4.769  -6.002  -1.700
   65    HA   CYS   8           HA       CYS   8  -5.964  -8.251  -0.111
   66   1HB   CYS   8          1HB       CYS   8  -4.879  -7.451   1.879
   67   2HB   CYS   8          2HB       CYS   8  -3.647  -7.693   0.644
   68    H    GLN   9           H        GLN   9  -6.264  -5.194  -1.374
   69    HA   GLN   9           HA       GLN   9  -7.931  -3.616  -1.338
   70   1HB   GLN   9          1HB       GLN   9  -9.421  -5.721   0.319
   71   2HB   GLN   9          2HB       GLN   9 -10.116  -4.206  -0.165
   72   1HG   GLN   9          2HG       GLN   9 -10.756  -5.953  -1.756
   73   2HG   GLN   9          1HG       GLN   9  -9.786  -4.731  -2.544
   74   1HE2  GLN   9          1HE2      GLN   9  -8.358  -5.677  -3.994
   75   2HE2  GLN   9          2HE2      GLN   9  -7.545  -7.147  -3.754
   76    H    ARG  10           H        ARG  10  -6.024  -2.870  -0.048
   77    HA   ARG  10           HA       ARG  10  -6.864  -1.815   2.635
   78   1HB   ARG  10          1HB       ARG  10  -4.779  -3.363   2.485
   79   2HB   ARG  10          2HB       ARG  10  -4.014  -2.081   1.549
   80   1HG   ARG  10          2HG       ARG  10  -4.302  -0.511   3.461
   81   2HG   ARG  10          1HG       ARG  10  -5.124  -1.768   4.373
   82   1HD   ARG  10          2HD       ARG  10  -3.066  -3.203   4.211
   83   2HD   ARG  10          1HD       ARG  10  -2.239  -1.881   3.400
   84    HE   ARG  10           HE       ARG  10  -2.604  -0.529   5.489
   85   1HH1  ARG  10          2HH2      ARG  10  -0.722  -2.954   5.748
   86   2HH1  ARG  10          1HH2      ARG  10  -1.197  -3.580   7.291
   87   1HH2  ARG  10          1HH1      ARG  10  -4.159  -1.705   7.345
   88   2HH2  ARG  10          2HH1      ARG  10  -3.196  -2.848   8.222
   89    H    LYS  11           H        LYS  11  -6.689   0.480   2.771
   90    HA   LYS  11           HA       LYS  11  -6.326   1.760   0.097
   91   1HB   LYS  11          1HB       LYS  11  -7.791   3.586   1.008
   92   2HB   LYS  11          2HB       LYS  11  -8.580   2.025   1.049
   93   1HG   LYS  11          2HG       LYS  11  -7.888   1.788   3.478
   94   2HG   LYS  11          1HG       LYS  11  -7.219   3.409   3.409
   95   1HD   LYS  11          2HD       LYS  11  -9.478   4.302   2.811
   96   2HD   LYS  11          1HD       LYS  11 -10.131   2.674   2.921
   97   1HE   LYS  11          2HE       LYS  11  -9.437   2.544   5.308
   98   2HE   LYS  11          1HE       LYS  11  -8.778   4.171   5.208
   99   1HZ   LYS  11          1HZ       LYS  11 -11.407   4.223   4.258
  100   2HZ   LYS  11          2HZ       LYS  11 -10.751   4.969   5.638
  101   3HZ   LYS  11          3HZ       LYS  11 -11.387   3.397   5.744
  102    H    PHE  12           H        PHE  12  -5.493   3.943   0.067
  103    HA   PHE  12           HA       PHE  12  -3.625   4.667   2.260
  104   1HB   PHE  12          1HB       PHE  12  -2.779   4.332  -0.678
  105   2HB   PHE  12          2HB       PHE  12  -1.745   4.893   0.619
  106    HD1  PHE  12           HD1      PHE  12  -1.144   3.351   2.498
  107    HD2  PHE  12           HD2      PHE  12  -3.379   1.971  -0.864
  108    HE1  PHE  12           HE1      PHE  12  -0.709   1.028   3.148
  109    HE2  PHE  12           HE2      PHE  12  -2.937  -0.361  -0.190
  110    HZ   PHE  12           HZ       PHE  12  -1.614  -0.814   1.801
  111    H    SER  13           H        SER  13  -2.455   6.744   1.495
  112    HA   SER  13           HA       SER  13  -4.562   8.710   0.748
  113   1HB   SER  13          2HB       SER  13  -3.025  10.355   1.907
  114   2HB   SER  13          1HB       SER  13  -3.498   9.046   2.971
  115    HG   SER  13           HG       SER  13  -1.046   9.655   2.027
  116    H    ARG  14           H        ARG  14  -1.310   7.634   0.048
  117    HA   ARG  14           HA       ARG  14  -1.290   9.273  -2.455
  118   1HB   ARG  14          1HB       ARG  14   1.062   8.427  -0.722
  119   2HB   ARG  14          2HB       ARG  14   1.197   9.319  -2.225
  120   1HG   ARG  14          2HG       ARG  14  -0.129  11.142  -1.368
  121   2HG   ARG  14          1HG       ARG  14  -0.213  10.362   0.208
  122   1HD   ARG  14          2HD       ARG  14   2.070  10.613   0.638
  123   2HD   ARG  14          1HD       ARG  14   2.542  10.652  -1.039
  124    HE   ARG  14           HE       ARG  14   2.697  12.918  -0.271
  125   1HH1  ARG  14          2HH2      ARG  14   0.616  13.020   1.803
  126   2HH1  ARG  14          1HH2      ARG  14  -0.629  13.970   1.061
  127   1HH2  ARG  14          1HH1      ARG  14   0.667  13.532  -2.161
  128   2HH2  ARG  14          2HH1      ARG  14  -0.605  14.259  -1.233
  129    H    SER  15           H        SER  15   0.599   8.313  -3.875
  130    HA   SER  15           HA       SER  15  -0.212   5.525  -4.506
  131   1HB   SER  15          2HB       SER  15   0.671   6.042  -6.777
  132   2HB   SER  15          1HB       SER  15  -0.404   7.319  -6.266
  133    HG   SER  15           HG       SER  15   1.960   7.914  -5.272
  134    H    ASP  16           H        ASP  16   2.635   7.514  -3.798
  135    HA   ASP  16           HA       ASP  16   4.607   5.506  -4.298
  136   1HB   ASP  16          1HB       ASP  16   6.106   6.898  -2.905
  137   2HB   ASP  16          2HB       ASP  16   5.116   7.986  -3.869
  138    H    HIS  17           H        HIS  17   2.367   6.229  -1.804
  139    HA   HIS  17           HA       HIS  17   3.374   4.553   0.259
  140   1HB   HIS  17          1HB       HIS  17   0.530   5.539  -0.348
  141   2HB   HIS  17          2HB       HIS  17   0.937   4.685   1.130
  142    HD1  HIS  17           HD1      HIS  17  -0.036   7.353   1.726
  143    HD2  HIS  17           HD2      HIS  17   3.887   6.910   0.693
  144    HE1  HIS  17           HE1      HIS  17   1.133   9.321   2.588
  145    H    LEU  18           H        LEU  18   0.485   4.108  -1.787
  146    HA   LEU  18           HA       LEU  18  -0.085   1.476  -1.480
  147   1HB   LEU  18          1HB       LEU  18  -1.350   2.959  -2.987
  148   2HB   LEU  18          2HB       LEU  18  -0.015   2.986  -4.135
  149    HG   LEU  18           HG       LEU  18  -0.277   0.473  -4.398
  150   1HD1  LEU  18          1HD1      LEU  18  -2.795   0.840  -2.758
  151   2HD1  LEU  18          2HD1      LEU  18  -1.353  -0.036  -2.254
  152   3HD1  LEU  18          3HD1      LEU  18  -2.277  -0.601  -3.621
  153   1HD2  LEU  18          1HD2      LEU  18  -1.333   2.035  -6.016
  154   2HD2  LEU  18          2HD2      LEU  18  -2.771   2.115  -5.009
  155   3HD2  LEU  18          3HD2      LEU  18  -2.322   0.603  -5.786
  156    H    LYS  19           H        LYS  19   2.375   2.640  -3.734
  157    HA   LYS  19           HA       LYS  19   3.253   0.222  -4.855
  158   1HB   LYS  19          1HB       LYS  19   3.970   2.429  -5.659
  159   2HB   LYS  19          2HB       LYS  19   4.754   2.763  -4.132
  160   1HG   LYS  19          2HG       LYS  19   6.410   0.954  -4.571
  161   2HG   LYS  19          1HG       LYS  19   5.599   0.563  -6.075
  162   1HD   LYS  19          2HD       LYS  19   7.531   1.974  -6.576
  163   2HD   LYS  19          1HD       LYS  19   6.081   2.903  -6.895
  164   1HE   LYS  19          2HE       LYS  19   7.663   4.311  -5.693
  165   2HE   LYS  19          1HE       LYS  19   6.343   3.987  -4.591
  166   1HZ   LYS  19          1HZ       LYS  19   8.313   1.967  -4.406
  167   2HZ   LYS  19          2HZ       LYS  19   7.725   2.988  -3.194
  168   3HZ   LYS  19          3HZ       LYS  19   9.013   3.496  -4.186
  169    H    THR  20           H        THR  20   4.957   1.953  -2.298
  170    HA   THR  20           HA       THR  20   6.716   0.014  -1.438
  171    HB   THR  20           HB       THR  20   5.277   2.171   0.251
  172    HG1  THR  20           HG1      THR  20   6.186   3.119  -1.422
  173   1HG2  THR  20          1HG2      THR  20   8.110   1.024   0.455
  174   2HG2  THR  20          2HG2      THR  20   6.836   0.584   1.585
  175   3HG2  THR  20          3HG2      THR  20   7.406   2.240   1.512
  176    H    HIS  21           H        HIS  21   3.372   0.390  -0.596
  177    HA   HIS  21           HA       HIS  21   3.233  -1.564   1.484
  178   1HB   HIS  21          1HB       HIS  21   1.370  -0.070   1.431
  179   2HB   HIS  21          2HB       HIS  21   1.137  -0.228  -0.294
  180    HD1  HIS  21           HD1      HIS  21   0.645  -2.214   2.837
  181    HD2  HIS  21           HD2      HIS  21  -0.480  -2.376  -1.104
  182    HE1  HIS  21           HE1      HIS  21  -1.000  -4.049   2.642
  183    H    THR  22           H        THR  22   2.073  -1.860  -1.878
  184    HA   THR  22           HA       THR  22   1.391  -4.555  -1.884
  185    HB   THR  22           HB       THR  22   2.577  -3.006  -4.235
  186    HG1  THR  22           HG1      THR  22   0.933  -1.904  -3.264
  187   1HG2  THR  22          1HG2      THR  22   0.431  -5.200  -4.168
  188   2HG2  THR  22          2HG2      THR  22   2.083  -5.521  -4.661
  189   3HG2  THR  22          3HG2      THR  22   1.084  -4.424  -5.596
  190    H    ARG  23           H        ARG  23   4.506  -3.175  -1.962
  191    HA   ARG  23           HA       ARG  23   6.024  -5.284  -3.041
  192   1HB   ARG  23          1HB       ARG  23   6.846  -2.998  -2.557
  193   2HB   ARG  23          2HB       ARG  23   6.704  -3.287  -0.850
  194   1HG   ARG  23          2HG       ARG  23   8.469  -5.246  -1.316
  195   2HG   ARG  23          1HG       ARG  23   8.725  -4.388  -2.817
  196   1HD   ARG  23          2HD       ARG  23  10.326  -3.519  -1.230
  197   2HD   ARG  23          1HD       ARG  23   9.111  -2.269  -1.423
  198    HE   ARG  23           HE       ARG  23   9.430  -2.564   0.979
  199   1HH1  ARG  23          2HH2      ARG  23   9.955  -5.446   1.158
  200   2HH1  ARG  23          1HH2      ARG  23   8.482  -6.062   1.827
  201   1HH2  ARG  23          1HH1      ARG  23   6.647  -3.204   1.019
  202   2HH2  ARG  23          2HH1      ARG  23   6.582  -4.764   1.766
  203    H    THR  24           H        THR  24   4.117  -5.357  -0.278
  204    HA   THR  24           HA       THR  24   5.690  -7.318   1.254
  205    HB   THR  24           HB       THR  24   4.326  -5.381   2.339
  206    HG1  THR  24           HG1      THR  24   4.401  -6.733   3.931
  207   1HG2  THR  24          1HG2      THR  24   2.003  -7.333   1.793
  208   2HG2  THR  24          2HG2      THR  24   2.151  -5.823   0.925
  209   3HG2  THR  24          3HG2      THR  24   1.902  -5.816   2.660
  210    H    HIS  25           H        HIS  25   3.692  -7.353  -1.319
  211    HA   HIS  25           HA       HIS  25   2.511 -10.046  -0.858
  212   1HB   HIS  25          1HB       HIS  25   1.808  -8.009  -3.022
  213   2HB   HIS  25          2HB       HIS  25   1.005  -9.532  -2.732
  214    HD1  HIS  25           HD1      HIS  25   0.202  -9.366   0.107
  215    HD2  HIS  25           HD2      HIS  25   0.079  -6.042  -2.286
  216    HE1  HIS  25           HE1      HIS  25  -1.422  -7.817   1.145
  217    H    THR  26           H        THR  26   4.088  -7.959  -3.162
  218    HA   THR  26           HA       THR  26   5.087 -10.294  -4.714
  219    HB   THR  26           HB       THR  26   3.640  -8.617  -5.944
  220    HG1  THR  26           HG1      THR  26   4.862  -9.277  -7.511
  221   1HG2  THR  26          1HG2      THR  26   6.109  -6.814  -5.642
  222   2HG2  THR  26          2HG2      THR  26   4.593  -6.507  -4.811
  223   3HG2  THR  26          3HG2      THR  26   4.662  -6.460  -6.565
  224    H    GLY  27           H        GLY  27   6.257  -7.565  -2.963
  225   1HA   GLY  27          1HA       GLY  27   9.030  -8.030  -3.967
  226   2HA   GLY  27          2HA       GLY  27   8.490  -6.611  -3.104
  227    H    GLU  28           H        GLU  28   8.564 -10.084  -2.505
  228    HA   GLU  28           HA       GLU  28   9.842  -9.591   0.170
  229   1HB   GLU  28          1HB       GLU  28   7.434 -10.485   0.181
  230   2HB   GLU  28          2HB       GLU  28   8.009 -11.906  -0.664
  231   1HG   GLU  28          2HG       GLU  28   9.599 -12.360   1.268
  232   2HG   GLU  28          1HG       GLU  28   8.934 -10.971   2.103
  233    H    LYS  29           H        LYS  29  11.330  -9.542  -1.957
  234    HA   LYS  29           HA       LYS  29  12.764 -12.158  -2.026
  235   1HB   LYS  29          1HB       LYS  29  11.369 -11.699  -4.083
  236   2HB   LYS  29          2HB       LYS  29  12.336 -10.272  -4.383
  237   1HG   LYS  29          2HG       LYS  29  14.374 -11.617  -4.617
  238   2HG   LYS  29          1HG       LYS  29  13.508 -13.078  -4.182
  239   1HD   LYS  29          2HD       LYS  29  12.831 -11.353  -6.609
  240   2HD   LYS  29          1HD       LYS  29  13.859 -12.765  -6.696
  241   1HE   LYS  29          2HE       LYS  29  10.918 -12.770  -5.830
  242   2HE   LYS  29          1HE       LYS  29  11.549 -13.344  -7.358
  243   1HZ   LYS  29          1HZ       LYS  29  12.985 -14.598  -5.329
  244   2HZ   LYS  29          2HZ       LYS  29  11.911 -15.284  -6.450
  245   3HZ   LYS  29          3HZ       LYS  29  11.334 -14.728  -4.952
  Start of MODEL   11
    1   1H    LYS   1          1H        LYS   1  -7.928  11.276  -1.102
    2   2H    LYS   1          2H        LYS   1  -9.435  11.841  -1.643
    3   3H    LYS   1          3H        LYS   1  -8.035  12.767  -1.905
    4    HA   LYS   1           HA       LYS   1  -9.166  10.788  -3.542
    5   1HB   LYS   1          2HB       LYS   1  -6.541  12.346  -3.781
    6   2HB   LYS   1          1HB       LYS   1  -7.369  11.575  -5.110
    7   1HG   LYS   1          2HG       LYS   1  -8.485  13.882  -3.438
    8   2HG   LYS   1          1HG       LYS   1  -7.796  14.036  -5.032
    9   1HD   LYS   1          2HD       LYS   1 -10.312  12.430  -4.383
   10   2HD   LYS   1          1HD       LYS   1 -10.282  14.030  -5.084
   11   1HE   LYS   1          2HE       LYS   1  -8.998  13.136  -7.052
   12   2HE   LYS   1          1HE       LYS   1  -9.126  11.517  -6.373
   13   1HZ   LYS   1          1HZ       LYS   1 -11.667  12.663  -6.394
   14   2HZ   LYS   1          2HZ       LYS   1 -11.097  11.325  -7.272
   15   3HZ   LYS   1          3HZ       LYS   1 -10.977  12.887  -7.928
   16    HA   PRO   2           HA       PRO   2  -6.147   8.005  -1.187
   17   1HB   PRO   2          1HB       PRO   2  -7.862   5.975  -0.651
   18   2HB   PRO   2          2HB       PRO   2  -7.786   7.440   0.334
   19   1HG   PRO   2          2HG       PRO   2  -9.663   6.862  -2.024
   20   2HG   PRO   2          1HG       PRO   2 -10.115   7.335  -0.382
   21   1HD   PRO   2          1HD       PRO   2  -9.915   9.233  -2.276
   22   2HD   PRO   2          2HD       PRO   2  -9.230   9.571  -0.670
   23    H    PHE   3           H        PHE   3  -5.677   5.742  -1.517
   24    HA   PHE   3           HA       PHE   3  -5.837   4.878  -4.384
   25   1HB   PHE   3          1HB       PHE   3  -3.532   4.851  -2.402
   26   2HB   PHE   3          2HB       PHE   3  -3.488   3.908  -3.879
   27    HD1  PHE   3           HD1      PHE   3  -2.946   4.960  -5.953
   28    HD2  PHE   3           HD2      PHE   3  -3.809   7.382  -2.552
   29    HE1  PHE   3           HE1      PHE   3  -2.185   6.948  -7.170
   30    HE2  PHE   3           HE2      PHE   3  -3.051   9.365  -3.774
   31    HZ   PHE   3           HZ       PHE   3  -2.239   9.153  -6.085
   32    H    GLN   4           H        GLN   4  -5.558   2.488  -4.586
   33    HA   GLN   4           HA       GLN   4  -6.384   0.986  -2.140
   34   1HB   GLN   4          1HB       GLN   4  -8.394   1.619  -3.560
   35   2HB   GLN   4          2HB       GLN   4  -7.690   0.702  -4.873
   36   1HG   GLN   4          2HG       GLN   4  -9.362  -0.672  -3.810
   37   2HG   GLN   4          1HG       GLN   4  -7.794  -1.363  -3.445
   38   1HE2  GLN   4          2HE2      GLN   4  -7.837  -2.098  -1.372
   39   2HE2  GLN   4          1HE2      GLN   4  -8.511  -1.290  -0.036
   40    H    CYS   5           H        CYS   5  -5.722  -1.149  -2.037
   41    HA   CYS   5           HA       CYS   5  -3.684  -2.007  -4.032
   42   1HB   CYS   5          1HB       CYS   5  -2.864  -1.970  -1.751
   43   2HB   CYS   5          2HB       CYS   5  -4.292  -2.825  -1.172
   44    H    LYS   6           H        LYS   6  -4.365  -3.695  -5.313
   45    HA   LYS   6           HA       LYS   6  -7.017  -4.943  -4.682
   46   1HB   LYS   6          1HB       LYS   6  -5.516  -4.666  -7.327
   47   2HB   LYS   6          2HB       LYS   6  -7.041  -5.510  -7.140
   48   1HG   LYS   6          2HG       LYS   6  -6.613  -2.543  -6.592
   49   2HG   LYS   6          1HG       LYS   6  -7.373  -3.229  -8.015
   50   1HD   LYS   6          2HD       LYS   6  -9.067  -4.349  -6.414
   51   2HD   LYS   6          1HD       LYS   6  -8.410  -3.318  -5.155
   52   1HE   LYS   6          2HE       LYS   6  -8.926  -1.303  -6.564
   53   2HE   LYS   6          1HE       LYS   6  -9.651  -2.360  -7.769
   54   1HZ   LYS   6          1HZ       LYS   6 -10.744  -2.948  -5.248
   55   2HZ   LYS   6          2HZ       LYS   6 -11.518  -2.361  -6.640
   56   3HZ   LYS   6          3HZ       LYS   6 -10.839  -1.285  -5.513
   57    H    THR   7           H        THR   7  -4.848  -5.712  -3.312
   58    HA   THR   7           HA       THR   7  -4.380  -8.509  -4.247
   59    HB   THR   7           HB       THR   7  -2.379  -6.750  -2.676
   60    HG1  THR   7           HG1      THR   7  -1.457  -7.600  -4.966
   61   1HG2  THR   7          1HG2      THR   7  -2.133  -9.502  -4.031
   62   2HG2  THR   7          2HG2      THR   7  -2.257  -9.297  -2.289
   63   3HG2  THR   7          3HG2      THR   7  -0.860  -8.681  -3.152
   64    H    CYS   8           H        CYS   8  -4.737  -6.166  -1.587
   65    HA   CYS   8           HA       CYS   8  -5.780  -8.423   0.118
   66   1HB   CYS   8          1HB       CYS   8  -4.939  -7.204   2.077
   67   2HB   CYS   8          2HB       CYS   8  -3.606  -7.538   0.968
   68    H    GLN   9           H        GLN   9  -6.008  -5.208  -0.957
   69    HA   GLN   9           HA       GLN   9  -7.912  -3.934  -1.370
   70   1HB   GLN   9          1HB       GLN   9  -9.179  -6.306  -0.810
   71   2HB   GLN   9          2HB       GLN   9  -9.674  -5.392   0.601
   72   1HG   GLN   9          2HG       GLN   9 -11.327  -5.014  -1.105
   73   2HG   GLN   9          1HG       GLN   9 -10.350  -3.559  -0.991
   74   1HE2  GLN   9          2HE2      GLN   9  -8.554  -6.039  -2.578
   75   2HE2  GLN   9          1HE2      GLN   9  -8.883  -5.557  -4.172
   76    H    ARG  10           H        ARG  10  -6.039  -3.090  -0.002
   77    HA   ARG  10           HA       ARG  10  -7.102  -1.810   2.496
   78   1HB   ARG  10          1HB       ARG  10  -5.020  -3.237   2.819
   79   2HB   ARG  10          2HB       ARG  10  -4.182  -2.211   1.660
   80   1HG   ARG  10          2HG       ARG  10  -4.589  -0.233   3.117
   81   2HG   ARG  10          1HG       ARG  10  -5.465  -1.232   4.257
   82   1HD   ARG  10          2HD       ARG  10  -3.337  -2.555   4.607
   83   2HD   ARG  10          1HD       ARG  10  -2.506  -1.423   3.548
   84    HE   ARG  10           HE       ARG  10  -3.864  -0.610   6.085
   85   1HH1  ARG  10          1HH2      ARG  10  -3.125   1.583   4.133
   86   2HH1  ARG  10          2HH2      ARG  10  -1.583   2.049   4.746
   87   1HH2  ARG  10          1HH1      ARG  10  -1.149  -0.854   6.632
   88   2HH2  ARG  10          2HH1      ARG  10  -0.426   0.647   6.166
   89    H    LYS  11           H        LYS  11  -6.626   0.494   2.635
   90    HA   LYS  11           HA       LYS  11  -6.143   1.657  -0.079
   91   1HB   LYS  11          1HB       LYS  11  -7.708   3.392   0.388
   92   2HB   LYS  11          2HB       LYS  11  -8.466   1.954   1.026
   93   1HG   LYS  11          2HG       LYS  11  -6.998   4.064   2.664
   94   2HG   LYS  11          1HG       LYS  11  -8.729   3.866   2.545
   95   1HD   LYS  11          2HD       LYS  11  -8.492   1.554   3.555
   96   2HD   LYS  11          1HD       LYS  11  -6.784   1.886   3.800
   97   1HE   LYS  11          2HE       LYS  11  -7.323   3.842   5.207
   98   2HE   LYS  11          1HE       LYS  11  -9.044   3.552   4.973
   99   1HZ   LYS  11          1HZ       LYS  11  -7.850   1.169   5.829
  100   2HZ   LYS  11          2HZ       LYS  11  -8.998   2.138   6.626
  101   3HZ   LYS  11          3HZ       LYS  11  -7.340   2.414   6.862
  102    H    PHE  12           H        PHE  12  -5.331   3.893  -0.025
  103    HA   PHE  12           HA       PHE  12  -3.478   4.485   2.215
  104   1HB   PHE  12          1HB       PHE  12  -2.638   4.225  -0.738
  105   2HB   PHE  12          2HB       PHE  12  -1.584   4.738   0.557
  106    HD1  PHE  12           HD1      PHE  12  -0.858   3.127   2.296
  107    HD2  PHE  12           HD2      PHE  12  -3.432   1.871  -0.863
  108    HE1  PHE  12           HE1      PHE  12  -0.486   0.779   2.909
  109    HE2  PHE  12           HE2      PHE  12  -3.056  -0.482  -0.219
  110    HZ   PHE  12           HZ       PHE  12  -1.598  -1.004   1.647
  111    H    SER  13           H        SER  13  -2.302   6.616   1.533
  112    HA   SER  13           HA       SER  13  -4.440   8.587   0.857
  113   1HB   SER  13          2HB       SER  13  -2.875  10.194   2.100
  114   2HB   SER  13          1HB       SER  13  -3.493   8.895   3.100
  115    HG   SER  13           HG       SER  13  -0.960   9.403   2.442
  116    H    ARG  14           H        ARG  14  -1.052   7.842   0.308
  117    HA   ARG  14           HA       ARG  14  -1.031   9.591  -2.126
  118   1HB   ARG  14          1HB       ARG  14   1.262   8.545  -0.409
  119   2HB   ARG  14          2HB       ARG  14   1.456   9.539  -1.842
  120   1HG   ARG  14          2HG       ARG  14   0.348  11.400  -0.913
  121   2HG   ARG  14          1HG       ARG  14  -0.078  10.499   0.536
  122   1HD   ARG  14          2HD       ARG  14   2.129  10.470   1.331
  123   2HD   ARG  14          1HD       ARG  14   2.847  10.585  -0.258
  124    HE   ARG  14           HE       ARG  14   1.366  12.855   0.988
  125   1HH1  ARG  14          1HH1      ARG  14   4.415  11.972   1.277
  126   2HH1  ARG  14          2HH1      ARG  14   5.153  13.219   0.324
  127   1HH2  ARG  14          2HH2      ARG  14   2.094  14.258  -1.034
  128   2HH2  ARG  14          1HH2      ARG  14   3.804  14.543  -1.017
  129    H    SER  15           H        SER  15   0.872   8.646  -3.606
  130    HA   SER  15           HA       SER  15  -0.058   5.944  -4.411
  131   1HB   SER  15          2HB       SER  15   1.148   6.463  -6.556
  132   2HB   SER  15          1HB       SER  15  -0.016   7.712  -6.172
  133    HG   SER  15           HG       SER  15   2.222   8.286  -4.857
  134    H    ASP  16           H        ASP  16   2.752   7.657  -3.222
  135    HA   ASP  16           HA       ASP  16   4.620   5.450  -3.690
  136   1HB   ASP  16          1HB       ASP  16   6.241   6.816  -2.501
  137   2HB   ASP  16          2HB       ASP  16   5.282   7.958  -3.428
  138    H    HIS  17           H        HIS  17   2.074   5.932  -1.720
  139    HA   HIS  17           HA       HIS  17   3.076   4.411   0.603
  140   1HB   HIS  17          1HB       HIS  17   0.484   5.928   0.028
  141   2HB   HIS  17          2HB       HIS  17   0.697   4.953   1.471
  142    HD1  HIS  17           HD1      HIS  17   0.279   7.666   2.284
  143    HD2  HIS  17           HD2      HIS  17   4.034   6.624   1.055
  144    HE1  HIS  17           HE1      HIS  17   1.795   9.315   3.232
  145    H    LEU  18           H        LEU  18   1.641   4.007  -2.353
  146    HA   LEU  18           HA       LEU  18   0.242   1.478  -1.656
  147   1HB   LEU  18          1HB       LEU  18  -1.098   3.187  -2.873
  148   2HB   LEU  18          2HB       LEU  18   0.100   3.207  -4.159
  149    HG   LEU  18           HG       LEU  18  -0.390   0.623  -4.343
  150   1HD1  LEU  18          1HD1      LEU  18  -2.889   1.497  -2.893
  151   2HD1  LEU  18          2HD1      LEU  18  -1.647   0.429  -2.242
  152   3HD1  LEU  18          3HD1      LEU  18  -2.595  -0.069  -3.630
  153   1HD2  LEU  18          1HD2      LEU  18  -1.021   2.280  -6.073
  154   2HD2  LEU  18          2HD2      LEU  18  -2.481   2.670  -5.184
  155   3HD2  LEU  18          3HD2      LEU  18  -2.276   1.071  -5.874
  156    H    LYS  19           H        LYS  19   2.389   2.805  -4.212
  157    HA   LYS  19           HA       LYS  19   3.046   0.218  -5.261
  158   1HB   LYS  19          1HB       LYS  19   4.811   1.384  -6.546
  159   2HB   LYS  19          2HB       LYS  19   3.313   2.289  -6.589
  160   1HG   LYS  19          2HG       LYS  19   4.189   3.764  -4.760
  161   2HG   LYS  19          1HG       LYS  19   5.691   2.867  -4.773
  162   1HD   LYS  19          2HD       LYS  19   6.143   3.494  -7.093
  163   2HD   LYS  19          1HD       LYS  19   4.578   4.268  -7.240
  164   1HE   LYS  19          2HE       LYS  19   6.406   5.922  -6.891
  165   2HE   LYS  19          1HE       LYS  19   5.243   5.988  -5.582
  166   1HZ   LYS  19          1HZ       LYS  19   7.236   4.105  -4.954
  167   2HZ   LYS  19          2HZ       LYS  19   6.863   5.564  -4.168
  168   3HZ   LYS  19          3HZ       LYS  19   7.977   5.551  -5.446
  169    H    THR  20           H        THR  20   3.914   1.403  -2.375
  170    HA   THR  20           HA       THR  20   6.545  -0.024  -2.249
  171    HB   THR  20           HB       THR  20   5.248   1.968  -0.278
  172    HG1  THR  20           HG1      THR  20   6.167   3.313  -1.508
  173   1HG2  THR  20          1HG2      THR  20   8.111   0.842  -0.406
  174   2HG2  THR  20          2HG2      THR  20   6.933   0.336   0.796
  175   3HG2  THR  20          3HG2      THR  20   7.503   1.993   0.771
  176    H    HIS  21           H        HIS  21   3.354   0.400  -0.939
  177    HA   HIS  21           HA       HIS  21   3.348  -1.546   1.119
  178   1HB   HIS  21          1HB       HIS  21   1.486  -0.041   1.069
  179   2HB   HIS  21          2HB       HIS  21   1.144  -0.356  -0.621
  180    HD1  HIS  21           HD1      HIS  21   0.850  -2.070   2.701
  181    HD2  HIS  21           HD2      HIS  21  -0.482  -2.554  -1.144
  182    HE1  HIS  21           HE1      HIS  21  -0.819  -3.899   2.750
  183    H    THR  22           H        THR  22   2.130  -1.820  -2.175
  184    HA   THR  22           HA       THR  22   1.220  -4.289  -2.471
  185    HB   THR  22           HB       THR  22   2.285  -4.008  -4.862
  186    HG1  THR  22           HG1      THR  22   2.816  -1.497  -3.752
  187   1HG2  THR  22          1HG2      THR  22   0.627  -1.709  -3.696
  188   2HG2  THR  22          2HG2      THR  22  -0.039  -3.211  -4.296
  189   3HG2  THR  22          3HG2      THR  22   0.777  -2.114  -5.397
  190    H    ARG  23           H        ARG  23   4.569  -3.348  -2.412
  191    HA   ARG  23           HA       ARG  23   5.532  -6.013  -2.962
  192   1HB   ARG  23          1HB       ARG  23   7.100  -3.663  -1.817
  193   2HB   ARG  23          2HB       ARG  23   7.766  -5.055  -2.662
  194   1HG   ARG  23          2HG       ARG  23   6.499  -4.349  -4.733
  195   2HG   ARG  23          1HG       ARG  23   5.952  -2.920  -3.870
  196   1HD   ARG  23          2HD       ARG  23   8.450  -2.381  -3.469
  197   2HD   ARG  23          1HD       ARG  23   8.788  -3.632  -4.666
  198    HE   ARG  23           HE       ARG  23   7.061  -1.264  -5.216
  199   1HH1  ARG  23          2HH2      ARG  23  10.085  -1.403  -5.849
  200   2HH1  ARG  23          1HH2      ARG  23  10.043  -1.750  -7.546
  201   1HH2  ARG  23          1HH1      ARG  23   6.661  -2.656  -7.491
  202   2HH2  ARG  23          2HH1      ARG  23   8.063  -2.473  -8.495
  203    H    THR  24           H        THR  24   3.812  -5.981  -0.829
  204    HA   THR  24           HA       THR  24   5.469  -6.885   1.422
  205    HB   THR  24           HB       THR  24   3.840  -4.896   2.015
  206    HG1  THR  24           HG1      THR  24   2.693  -6.871   3.404
  207   1HG2  THR  24          1HG2      THR  24   1.692  -7.060   1.570
  208   2HG2  THR  24          2HG2      THR  24   1.901  -5.732   0.445
  209   3HG2  THR  24          3HG2      THR  24   1.415  -5.412   2.102
  210    H    HIS  25           H        HIS  25   3.182  -7.380  -0.962
  211    HA   HIS  25           HA       HIS  25   2.395 -10.120  -0.199
  212   1HB   HIS  25          1HB       HIS  25   1.659  -8.377  -2.611
  213   2HB   HIS  25          2HB       HIS  25   0.854  -9.867  -2.144
  214    HD1  HIS  25           HD1      HIS  25   0.122  -9.376   0.681
  215    HD2  HIS  25           HD2      HIS  25  -0.035  -6.333  -2.051
  216    HE1  HIS  25           HE1      HIS  25  -1.447  -7.701   1.594
  217    H    THR  26           H        THR  26   4.097  -8.027  -2.233
  218    HA   THR  26           HA       THR  26   6.324  -8.330  -3.080
  219    HB   THR  26           HB       THR  26   5.234 -10.992  -4.103
  220    HG1  THR  26           HG1      THR  26   5.909 -11.691  -2.213
  221   1HG2  THR  26          1HG2      THR  26   8.150  -9.975  -3.942
  222   2HG2  THR  26          2HG2      THR  26   7.267 -10.044  -5.452
  223   3HG2  THR  26          3HG2      THR  26   7.651 -11.523  -4.598
  224    H    GLY  27           H        GLY  27   4.333  -6.983  -3.573
  225   1HA   GLY  27          1HA       GLY  27   2.793  -6.091  -5.214
  226   2HA   GLY  27          2HA       GLY  27   4.371  -5.496  -5.699
  227    H    GLU  28           H        GLU  28   2.948  -8.624  -5.913
  228    HA   GLU  28           HA       GLU  28   3.696  -9.108  -8.634
  229   1HB   GLU  28          1HB       GLU  28   2.679 -11.237  -8.242
  230   2HB   GLU  28          2HB       GLU  28   3.537 -10.805  -6.799
  231   1HG   GLU  28          2HG       GLU  28   0.501 -10.569  -7.205
  232   2HG   GLU  28          1HG       GLU  28   1.323 -11.780  -6.248
  233    H    LYS  29           H        LYS  29   2.306  -9.682 -10.305
  234    HA   LYS  29           HA       LYS  29  -0.380  -8.380 -10.343
  235   1HB   LYS  29          1HB       LYS  29   1.824  -8.227 -12.446
  236   2HB   LYS  29          2HB       LYS  29   0.201  -7.627 -12.710
  237   1HG   LYS  29          2HG       LYS  29   2.053  -6.652 -10.472
  238   2HG   LYS  29          1HG       LYS  29   1.902  -5.853 -12.015
  239   1HD   LYS  29          2HD       LYS  29  -0.501  -6.317 -10.181
  240   2HD   LYS  29          1HD       LYS  29   0.486  -4.879 -10.098
  241   1HE   LYS  29          2HE       LYS  29  -0.973  -5.801 -12.625
  242   2HE   LYS  29          1HE       LYS  29  -1.534  -4.549 -11.532
  243   1HZ   LYS  29          1HZ       LYS  29   1.117  -3.985 -12.190
  244   2HZ   LYS  29          2HZ       LYS  29  -0.282  -3.107 -12.581
  245   3HZ   LYS  29          3HZ       LYS  29   0.285  -4.314 -13.631
  Start of MODEL   12
    1   1H    LYS   1          1H        LYS   1  -6.267  12.013  -3.193
    2   2H    LYS   1          2H        LYS   1  -7.626  13.030  -3.220
    3   3H    LYS   1          3H        LYS   1  -7.136  12.229  -4.632
    4    HA   LYS   1           HA       LYS   1  -8.918  11.380  -2.678
    5   1HB   LYS   1          2HB       LYS   1  -7.975  10.605  -5.378
    6   2HB   LYS   1          1HB       LYS   1  -8.480   9.224  -4.442
    7   1HG   LYS   1          2HG       LYS   1 -10.314  10.136  -5.795
    8   2HG   LYS   1          1HG       LYS   1 -10.680  10.157  -4.084
    9   1HD   LYS   1          2HD       LYS   1 -10.280  12.565  -3.952
   10   2HD   LYS   1          1HD       LYS   1  -9.634  12.601  -5.583
   11   1HE   LYS   1          2HE       LYS   1 -12.018  13.384  -5.485
   12   2HE   LYS   1          1HE       LYS   1 -11.843  11.955  -6.490
   13   1HZ   LYS   1          1HZ       LYS   1 -12.309  11.136  -3.848
   14   2HZ   LYS   1          2HZ       LYS   1 -13.286  10.920  -5.219
   15   3HZ   LYS   1          3HZ       LYS   1 -13.467  12.311  -4.257
   16    HA   PRO   2           HA       PRO   2  -6.731   7.959  -0.506
   17   1HB   PRO   2          1HB       PRO   2  -9.385   6.643  -1.044
   18   2HB   PRO   2          2HB       PRO   2  -8.433   6.660   0.441
   19   1HG   PRO   2          2HG       PRO   2 -10.531   8.301   0.319
   20   2HG   PRO   2          1HG       PRO   2  -9.006   8.989   0.887
   21   1HD   PRO   2          1HD       PRO   2 -10.147   9.111  -1.970
   22   2HD   PRO   2          2HD       PRO   2  -9.560  10.447  -0.945
   23    H    PHE   3           H        PHE   3  -6.244   5.787  -0.939
   24    HA   PHE   3           HA       PHE   3  -6.188   5.021  -3.837
   25   1HB   PHE   3          1HB       PHE   3  -4.042   4.963  -1.700
   26   2HB   PHE   3          2HB       PHE   3  -3.869   4.041  -3.186
   27    HD1  PHE   3           HD1      PHE   3  -3.282   5.151  -5.241
   28    HD2  PHE   3           HD2      PHE   3  -4.233   7.486  -1.798
   29    HE1  PHE   3           HE1      PHE   3  -2.457   7.157  -6.372
   30    HE2  PHE   3           HE2      PHE   3  -3.411   9.495  -2.948
   31    HZ   PHE   3           HZ       PHE   3  -2.523   9.335  -5.229
   32    H    GLN   4           H        GLN   4  -5.868   2.672  -4.124
   33    HA   GLN   4           HA       GLN   4  -6.777   0.997  -1.838
   34   1HB   GLN   4          1HB       GLN   4  -8.790   1.704  -3.216
   35   2HB   GLN   4          2HB       GLN   4  -8.059   0.956  -4.617
   36   1HG   GLN   4          2HG       GLN   4  -9.677  -0.607  -3.681
   37   2HG   GLN   4          1HG       GLN   4  -8.077  -1.262  -3.389
   38   1HE2  GLN   4          2HE2      GLN   4  -7.710  -1.902  -1.299
   39   2HE2  GLN   4          1HE2      GLN   4  -8.551  -1.351   0.071
   40    H    CYS   5           H        CYS   5  -5.797  -1.013  -1.793
   41    HA   CYS   5           HA       CYS   5  -3.689  -1.561  -3.783
   42   1HB   CYS   5          1HB       CYS   5  -3.250  -1.911  -1.417
   43   2HB   CYS   5          2HB       CYS   5  -4.617  -3.010  -1.293
   44    H    LYS   6           H        LYS   6  -3.749  -3.202  -5.192
   45    HA   LYS   6           HA       LYS   6  -6.409  -4.462  -5.740
   46   1HB   LYS   6          1HB       LYS   6  -4.000  -4.037  -7.565
   47   2HB   LYS   6          2HB       LYS   6  -5.571  -4.634  -8.069
   48   1HG   LYS   6          2HG       LYS   6  -6.629  -2.484  -7.551
   49   2HG   LYS   6          1HG       LYS   6  -5.181  -1.896  -6.764
   50   1HD   LYS   6          2HD       LYS   6  -5.325  -0.897  -8.980
   51   2HD   LYS   6          1HD       LYS   6  -3.948  -1.973  -8.914
   52   1HE   LYS   6          2HE       LYS   6  -5.212  -2.246 -11.030
   53   2HE   LYS   6          1HE       LYS   6  -5.252  -3.735 -10.105
   54   1HZ   LYS   6          1HZ       LYS   6  -7.397  -2.107  -9.315
   55   2HZ   LYS   6          2HZ       LYS   6  -7.436  -3.627 -10.070
   56   3HZ   LYS   6          3HZ       LYS   6  -7.392  -2.211 -11.010
   57    H    THR   7           H        THR   7  -4.544  -5.349  -3.751
   58    HA   THR   7           HA       THR   7  -4.061  -8.112  -4.737
   59    HB   THR   7           HB       THR   7  -2.060  -6.444  -3.098
   60    HG1  THR   7           HG1      THR   7  -1.592  -5.925  -5.077
   61   1HG2  THR   7          1HG2      THR   7  -1.839  -9.232  -4.397
   62   2HG2  THR   7          2HG2      THR   7  -2.003  -9.022  -2.664
   63   3HG2  THR   7          3HG2      THR   7  -0.576  -8.424  -3.489
   64    H    CYS   8           H        CYS   8  -4.535  -5.981  -1.895
   65    HA   CYS   8           HA       CYS   8  -5.555  -8.419  -0.437
   66   1HB   CYS   8          1HB       CYS   8  -4.860  -7.375   1.642
   67   2HB   CYS   8          2HB       CYS   8  -3.486  -7.520   0.543
   68    H    GLN   9           H        GLN   9  -5.735  -5.030  -0.814
   69    HA   GLN   9           HA       GLN   9  -7.631  -3.712  -1.325
   70   1HB   GLN   9          1HB       GLN   9  -9.275  -5.691   0.385
   71   2HB   GLN   9          2HB       GLN   9  -9.899  -4.259  -0.371
   72   1HG   GLN   9          2HG       GLN   9  -8.668  -6.546  -1.966
   73   2HG   GLN   9          1HG       GLN   9 -10.381  -6.227  -1.787
   74   1HE2  GLN   9          2HE2      GLN   9  -7.943  -5.817  -3.938
   75   2HE2  GLN   9          1HE2      GLN   9  -8.458  -4.398  -4.713
   76    H    ARG  10           H        ARG  10  -5.856  -2.905   0.053
   77    HA   ARG  10           HA       ARG  10  -6.861  -1.887   2.686
   78   1HB   ARG  10          1HB       ARG  10  -4.775  -3.261   2.893
   79   2HB   ARG  10          2HB       ARG  10  -4.004  -2.280   1.648
   80   1HG   ARG  10          2HG       ARG  10  -4.069  -0.311   3.071
   81   2HG   ARG  10          1HG       ARG  10  -5.049  -1.134   4.272
   82   1HD   ARG  10          2HD       ARG  10  -3.191  -2.681   4.775
   83   2HD   ARG  10          1HD       ARG  10  -2.231  -1.986   3.485
   84    HE   ARG  10           HE       ARG  10  -2.212   0.153   4.744
   85   1HH1  ARG  10          2HH2      ARG  10  -1.730  -2.723   6.313
   86   2HH1  ARG  10          1HH2      ARG  10  -2.008  -2.121   7.913
   87   1HH2  ARG  10          1HH1      ARG  10  -3.215   0.962   6.773
   88   2HH2  ARG  10          2HH1      ARG  10  -2.870   0.015   8.181
   89    H    LYS  11           H        LYS  11  -6.323   0.460   2.957
   90    HA   LYS  11           HA       LYS  11  -6.182   1.771   0.271
   91   1HB   LYS  11          1HB       LYS  11  -7.376   3.043   2.802
   92   2HB   LYS  11          2HB       LYS  11  -7.446   3.667   1.192
   93   1HG   LYS  11          2HG       LYS  11  -9.603   2.808   1.594
   94   2HG   LYS  11          1HG       LYS  11  -8.830   1.724   0.473
   95   1HD   LYS  11          2HD       LYS  11 -10.135   0.510   2.181
   96   2HD   LYS  11          1HD       LYS  11  -8.464   0.050   2.287
   97   1HE   LYS  11          2HE       LYS  11  -9.741   2.188   4.057
   98   2HE   LYS  11          1HE       LYS  11  -9.637   0.503   4.525
   99   1HZ   LYS  11          1HZ       LYS  11  -7.093   1.351   3.725
  100   2HZ   LYS  11          2HZ       LYS  11  -7.623   0.848   5.254
  101   3HZ   LYS  11          3HZ       LYS  11  -7.716   2.486   4.815
  102    H    PHE  12           H        PHE  12  -5.269   3.952   0.287
  103    HA   PHE  12           HA       PHE  12  -3.223   4.437   2.389
  104   1HB   PHE  12          1HB       PHE  12  -2.621   4.145  -0.606
  105   2HB   PHE  12          2HB       PHE  12  -1.472   4.710   0.578
  106    HD1  PHE  12           HD1      PHE  12  -0.806   3.211   2.486
  107    HD2  PHE  12           HD2      PHE  12  -3.261   1.794  -0.703
  108    HE1  PHE  12           HE1      PHE  12  -0.388   0.892   3.175
  109    HE2  PHE  12           HE2      PHE  12  -2.835  -0.493  -0.026
  110    HZ   PHE  12           HZ       PHE  12  -1.406  -0.950   1.928
  111    H    SER  13           H        SER  13  -1.974   6.455   1.674
  112    HA   SER  13           HA       SER  13  -3.983   8.607   1.240
  113   1HB   SER  13          2HB       SER  13  -2.232  10.034   2.420
  114   2HB   SER  13          1HB       SER  13  -2.858   8.724   3.405
  115    HG   SER  13           HG       SER  13  -0.908   7.933   3.429
  116    H    ARG  14           H        ARG  14  -0.824   7.452   0.228
  117    HA   ARG  14           HA       ARG  14  -0.853   9.398  -2.054
  118   1HB   ARG  14          1HB       ARG  14   1.595   8.036  -0.867
  119   2HB   ARG  14          2HB       ARG  14   1.557   9.290  -2.090
  120   1HG   ARG  14          2HG       ARG  14   0.560  10.838  -0.385
  121   2HG   ARG  14          1HG       ARG  14   0.774   9.587   0.817
  122   1HD   ARG  14          2HD       ARG  14   2.865  10.660   1.077
  123   2HD   ARG  14          1HD       ARG  14   3.260   9.477  -0.125
  124    HE   ARG  14           HE       ARG  14   4.051  11.710  -0.853
  125   1HH1  ARG  14          1HH1      ARG  14   2.678  10.543  -3.111
  126   2HH1  ARG  14          2HH1      ARG  14   1.594  11.794  -3.641
  127   1HH2  ARG  14          2HH2      ARG  14   1.841  13.490  -0.575
  128   2HH2  ARG  14          1HH2      ARG  14   1.103  13.505  -2.142
  129    H    SER  15           H        SER  15   0.927   8.440  -3.642
  130    HA   SER  15           HA       SER  15  -0.206   5.901  -4.687
  131   1HB   SER  15          2HB       SER  15   0.878   6.652  -6.839
  132   2HB   SER  15          1HB       SER  15  -0.139   7.928  -6.202
  133    HG   SER  15           HG       SER  15   1.588   9.095  -6.006
  134    H    ASP  16           H        ASP  16   2.659   7.485  -3.552
  135    HA   ASP  16           HA       ASP  16   4.463   5.198  -4.031
  136   1HB   ASP  16          1HB       ASP  16   6.167   6.694  -2.924
  137   2HB   ASP  16          2HB       ASP  16   5.392   7.481  -4.291
  138    H    HIS  17           H        HIS  17   2.060   5.589  -2.101
  139    HA   HIS  17           HA       HIS  17   3.233   4.381   0.354
  140   1HB   HIS  17          1HB       HIS  17   0.759   6.130  -0.069
  141   2HB   HIS  17          2HB       HIS  17   0.953   5.154   1.373
  142    HD1  HIS  17           HD1      HIS  17   0.882   7.759   2.308
  143    HD2  HIS  17           HD2      HIS  17   4.410   6.602   0.625
  144    HE1  HIS  17           HE1      HIS  17   2.585   9.299   3.138
  145    H    LEU  18           H        LEU  18   1.280   4.133  -2.374
  146    HA   LEU  18           HA       LEU  18  -0.292   1.801  -1.473
  147   1HB   LEU  18          1HB       LEU  18  -1.496   3.460  -2.789
  148   2HB   LEU  18          2HB       LEU  18  -0.242   3.459  -4.027
  149    HG   LEU  18           HG       LEU  18  -0.815   0.975  -4.424
  150   1HD1  LEU  18          1HD1      LEU  18  -3.205   1.627  -2.741
  151   2HD1  LEU  18          2HD1      LEU  18  -1.920   0.491  -2.324
  152   3HD1  LEU  18          3HD1      LEU  18  -2.940   0.197  -3.713
  153   1HD2  LEU  18          1HD2      LEU  18  -1.607   2.802  -5.925
  154   2HD2  LEU  18          2HD2      LEU  18  -3.022   3.021  -4.915
  155   3HD2  LEU  18          3HD2      LEU  18  -2.801   1.521  -5.798
  156    H    LYS  19           H        LYS  19   1.872   2.637  -4.203
  157    HA   LYS  19           HA       LYS  19   2.284   0.046  -5.203
  158   1HB   LYS  19          1HB       LYS  19   2.967   2.057  -6.336
  159   2HB   LYS  19          2HB       LYS  19   4.123   2.478  -5.087
  160   1HG   LYS  19          2HG       LYS  19   5.359   0.302  -5.666
  161   2HG   LYS  19          1HG       LYS  19   4.268   0.118  -7.023
  162   1HD   LYS  19          2HD       LYS  19   6.181   2.447  -6.551
  163   2HD   LYS  19          1HD       LYS  19   6.409   1.171  -7.724
  164   1HE   LYS  19          2HE       LYS  19   5.544   3.032  -8.976
  165   2HE   LYS  19          1HE       LYS  19   4.174   1.952  -8.789
  166   1HZ   LYS  19          1HZ       LYS  19   4.268   3.691  -6.584
  167   2HZ   LYS  19          2HZ       LYS  19   3.079   3.557  -7.787
  168   3HZ   LYS  19          3HZ       LYS  19   4.398   4.604  -8.006
  169    H    THR  20           H        THR  20   4.503   1.846  -3.167
  170    HA   THR  20           HA       THR  20   6.351  -0.002  -2.414
  171    HB   THR  20           HB       THR  20   5.014   2.098  -0.576
  172    HG1  THR  20           HG1      THR  20   7.390   2.680  -1.685
  173   1HG2  THR  20          1HG2      THR  20   7.859   0.930  -0.528
  174   2HG2  THR  20          2HG2      THR  20   6.630   0.502   0.653
  175   3HG2  THR  20          3HG2      THR  20   7.221   2.151   0.564
  176    H    HIS  21           H        HIS  21   3.196   0.356  -1.015
  177    HA   HIS  21           HA       HIS  21   3.460  -1.718   0.960
  178   1HB   HIS  21          1HB       HIS  21   1.730  -0.196   1.455
  179   2HB   HIS  21          2HB       HIS  21   1.112  -0.165  -0.183
  180    HD1  HIS  21           HD1      HIS  21   0.939  -2.291   2.886
  181    HD2  HIS  21           HD2      HIS  21  -0.521  -2.327  -0.939
  182    HE1  HIS  21           HE1      HIS  21  -0.776  -4.076   2.799
  183    H    THR  22           H        THR  22   1.603  -1.692  -2.061
  184    HA   THR  22           HA       THR  22   0.629  -4.256  -2.139
  185    HB   THR  22           HB       THR  22   1.755  -2.907  -4.609
  186    HG1  THR  22           HG1      THR  22   0.403  -1.390  -3.933
  187   1HG2  THR  22          1HG2      THR  22  -0.742  -4.604  -4.118
  188   2HG2  THR  22          2HG2      THR  22   0.720  -5.229  -4.863
  189   3HG2  THR  22          3HG2      THR  22  -0.211  -3.981  -5.674
  190    H    ARG  23           H        ARG  23   3.760  -3.089  -3.061
  191    HA   ARG  23           HA       ARG  23   4.708  -5.721  -3.825
  192   1HB   ARG  23          1HB       ARG  23   5.328  -3.640  -5.039
  193   2HB   ARG  23          2HB       ARG  23   6.153  -3.052  -3.609
  194   1HG   ARG  23          2HG       ARG  23   7.825  -4.843  -3.764
  195   2HG   ARG  23          1HG       ARG  23   6.896  -5.674  -4.994
  196   1HD   ARG  23          2HD       ARG  23   8.821  -4.416  -5.863
  197   2HD   ARG  23          1HD       ARG  23   7.317  -3.835  -6.576
  198    HE   ARG  23           HE       ARG  23   7.422  -1.937  -4.918
  199   1HH1  ARG  23          2HH2      ARG  23   9.917  -3.655  -3.841
  200   2HH1  ARG  23          1HH2      ARG  23  11.165  -2.492  -4.145
  201   1HH2  ARG  23          1HH1      ARG  23   9.083  -0.479  -6.123
  202   2HH2  ARG  23          2HH1      ARG  23  10.683  -0.649  -5.470
  203    H    THR  24           H        THR  24   3.911  -5.963  -1.492
  204    HA   THR  24           HA       THR  24   6.222  -6.534   0.278
  205    HB   THR  24           HB       THR  24   4.789  -4.419   1.151
  206    HG1  THR  24           HG1      THR  24   5.889  -6.607   2.262
  207   1HG2  THR  24          1HG2      THR  24   3.039  -6.758   2.169
  208   2HG2  THR  24          2HG2      THR  24   2.451  -5.699   0.910
  209   3HG2  THR  24          3HG2      THR  24   2.817  -5.053   2.498
  210    H    HIS  25           H        HIS  25   3.278  -7.238  -1.234
  211    HA   HIS  25           HA       HIS  25   2.392  -9.509   0.268
  212   1HB   HIS  25          1HB       HIS  25   1.815  -8.455  -2.552
  213   2HB   HIS  25          2HB       HIS  25   1.002  -9.860  -1.883
  214    HD1  HIS  25           HD1      HIS  25   0.122  -9.093   0.727
  215    HD2  HIS  25           HD2      HIS  25   0.138  -6.241  -2.225
  216    HE1  HIS  25           HE1      HIS  25  -1.471  -7.352   1.436
  217    H    THR  26           H        THR  26   4.335  -8.857  -2.503
  218    HA   THR  26           HA       THR  26   5.150 -11.701  -2.713
  219    HB   THR  26           HB       THR  26   5.580  -9.435  -4.785
  220    HG1  THR  26           HG1      THR  26   3.794 -11.278  -5.476
  221   1HG2  THR  26          1HG2      THR  26   5.535 -12.500  -5.081
  222   2HG2  THR  26          2HG2      THR  26   7.026 -11.581  -4.994
  223   3HG2  THR  26          3HG2      THR  26   5.919 -11.330  -6.335
  224    H    GLY  27           H        GLY  27   6.243  -8.431  -2.771
  225   1HA   GLY  27          1HA       GLY  27   8.046  -7.568  -1.361
  226   2HA   GLY  27          2HA       GLY  27   8.755  -9.182  -1.322
  227    H    GLU  28           H        GLU  28   8.999 -10.000  -3.682
  228    HA   GLU  28           HA       GLU  28  10.605  -7.981  -5.194
  229   1HB   GLU  28          1HB       GLU  28  12.027  -9.698  -4.202
  230   2HB   GLU  28          2HB       GLU  28  10.989 -10.975  -4.792
  231   1HG   GLU  28          2HG       GLU  28  12.980 -10.874  -6.201
  232   2HG   GLU  28          1HG       GLU  28  11.612 -10.356  -7.154
  233    H    LYS  29           H        LYS  29  10.008  -7.575  -7.164
  234    HA   LYS  29           HA       LYS  29   8.224  -9.455  -8.662
  235   1HB   LYS  29          1HB       LYS  29   7.960  -6.429  -8.373
  236   2HB   LYS  29          2HB       LYS  29   7.039  -7.390  -9.517
  237   1HG   LYS  29          2HG       LYS  29   6.091  -8.739  -7.667
  238   2HG   LYS  29          1HG       LYS  29   7.011  -7.815  -6.492
  239   1HD   LYS  29          2HD       LYS  29   5.811  -5.753  -7.096
  240   2HD   LYS  29          1HD       LYS  29   4.963  -6.591  -8.381
  241   1HE   LYS  29          2HE       LYS  29   4.761  -7.338  -5.432
  242   2HE   LYS  29          1HE       LYS  29   3.568  -6.378  -6.292
  243   1HZ   LYS  29          1HZ       LYS  29   4.080  -8.692  -7.777
  244   2HZ   LYS  29          2HZ       LYS  29   2.640  -8.214  -7.019
  245   3HZ   LYS  29          3HZ       LYS  29   3.769  -9.151  -6.173
  Start of MODEL   13
    1   1H    LYS   1          1H        LYS   1  -6.155  10.867  -0.781
    2   2H    LYS   1          2H        LYS   1  -6.930  12.345  -1.103
    3   3H    LYS   1          3H        LYS   1  -5.236  12.256  -1.097
    4    HA   LYS   1           HA       LYS   1  -7.013  11.859  -3.240
    5   1HB   LYS   1          2HB       LYS   1  -3.984  11.411  -3.133
    6   2HB   LYS   1          1HB       LYS   1  -4.926  11.835  -4.545
    7   1HG   LYS   1          2HG       LYS   1  -4.410  13.605  -2.116
    8   2HG   LYS   1          1HG       LYS   1  -3.716  13.788  -3.709
    9   1HD   LYS   1          2HD       LYS   1  -5.946  14.238  -4.686
   10   2HD   LYS   1          1HD       LYS   1  -6.696  14.041  -3.111
   11   1HE   LYS   1          2HE       LYS   1  -4.598  16.149  -3.768
   12   2HE   LYS   1          1HE       LYS   1  -6.324  16.442  -3.628
   13   1HZ   LYS   1          1HZ       LYS   1  -5.481  15.087  -1.335
   14   2HZ   LYS   1          2HZ       LYS   1  -6.082  16.669  -1.471
   15   3HZ   LYS   1          3HZ       LYS   1  -4.415  16.377  -1.604
   16    HA   PRO   2           HA       PRO   2  -6.536   7.696  -1.192
   17   1HB   PRO   2          1HB       PRO   2  -9.030   6.610  -1.819
   18   2HB   PRO   2          2HB       PRO   2  -8.736   7.686  -0.453
   19   1HG   PRO   2          2HG       PRO   2  -9.660   8.449  -3.278
   20   2HG   PRO   2          1HG       PRO   2 -10.419   8.878  -1.740
   21   1HD   PRO   2          1HD       PRO   2  -8.777  10.646  -2.893
   22   2HD   PRO   2          2HD       PRO   2  -8.573  10.376  -1.147
   23    H    PHE   3           H        PHE   3  -5.820   5.888  -1.699
   24    HA   PHE   3           HA       PHE   3  -5.900   4.798  -4.484
   25   1HB   PHE   3          1HB       PHE   3  -3.533   5.070  -2.576
   26   2HB   PHE   3          2HB       PHE   3  -3.500   3.999  -3.968
   27    HD1  PHE   3           HD1      PHE   3  -3.365   4.945  -6.248
   28    HD2  PHE   3           HD2      PHE   3  -3.553   7.475  -2.833
   29    HE1  PHE   3           HE1      PHE   3  -2.676   6.862  -7.625
   30    HE2  PHE   3           HE2      PHE   3  -2.879   9.382  -4.198
   31    HZ   PHE   3           HZ       PHE   3  -2.440   9.090  -6.605
   32    H    GLN   4           H        GLN   4  -5.567   2.432  -4.509
   33    HA   GLN   4           HA       GLN   4  -5.907   1.079  -1.893
   34   1HB   GLN   4          1HB       GLN   4  -8.229   1.435  -2.696
   35   2HB   GLN   4          2HB       GLN   4  -7.821   0.722  -4.246
   36   1HG   GLN   4          2HG       GLN   4  -7.481  -1.472  -3.266
   37   2HG   GLN   4          1HG       GLN   4  -7.613  -0.847  -1.633
   38   1HE2  GLN   4          2HE2      GLN   4  -9.588  -1.317  -0.750
   39   2HE2  GLN   4          1HE2      GLN   4 -11.053  -1.416  -1.603
   40    H    CYS   5           H        CYS   5  -5.511  -1.088  -1.891
   41    HA   CYS   5           HA       CYS   5  -3.648  -2.071  -3.990
   42   1HB   CYS   5          1HB       CYS   5  -2.685  -2.046  -1.774
   43   2HB   CYS   5          2HB       CYS   5  -4.100  -2.839  -1.095
   44    H    LYS   6           H        LYS   6  -4.958  -3.184  -5.432
   45    HA   LYS   6           HA       LYS   6  -7.407  -4.531  -4.485
   46   1HB   LYS   6          1HB       LYS   6  -7.800  -4.912  -6.933
   47   2HB   LYS   6          2HB       LYS   6  -7.545  -3.240  -6.531
   48   1HG   LYS   6          2HG       LYS   6  -6.315  -3.522  -8.525
   49   2HG   LYS   6          1HG       LYS   6  -5.098  -3.499  -7.281
   50   1HD   LYS   6          2HD       LYS   6  -4.597  -5.218  -8.940
   51   2HD   LYS   6          1HD       LYS   6  -4.901  -5.997  -7.420
   52   1HE   LYS   6          2HE       LYS   6  -7.291  -6.466  -8.231
   53   2HE   LYS   6          1HE       LYS   6  -6.874  -5.686  -9.751
   54   1HZ   LYS   6          1HZ       LYS   6  -4.926  -7.605  -9.185
   55   2HZ   LYS   6          2HZ       LYS   6  -6.062  -7.583 -10.446
   56   3HZ   LYS   6          3HZ       LYS   6  -6.452  -8.321  -8.968
   57    H    THR   7           H        THR   7  -4.908  -5.414  -3.565
   58    HA   THR   7           HA       THR   7  -4.718  -8.156  -4.680
   59    HB   THR   7           HB       THR   7  -2.581  -6.642  -3.025
   60    HG1  THR   7           HG1      THR   7  -2.066  -7.117  -5.625
   61   1HG2  THR   7          1HG2      THR   7  -2.432  -9.067  -4.915
   62   2HG2  THR   7          2HG2      THR   7  -2.441  -9.237  -3.169
   63   3HG2  THR   7          3HG2      THR   7  -1.110  -8.412  -3.965
   64    H    CYS   8           H        CYS   8  -4.847  -6.127  -1.770
   65    HA   CYS   8           HA       CYS   8  -5.827  -8.532  -0.242
   66   1HB   CYS   8          1HB       CYS   8  -4.825  -7.602   1.759
   67   2HB   CYS   8          2HB       CYS   8  -3.588  -7.742   0.511
   68    H    GLN   9           H        GLN   9  -6.144  -5.221  -1.004
   69    HA   GLN   9           HA       GLN   9  -8.026  -3.876  -1.168
   70   1HB   GLN   9          1HB       GLN   9  -9.450  -5.902   0.689
   71   2HB   GLN   9          2HB       GLN   9 -10.132  -4.423   0.110
   72   1HG   GLN   9          2HG       GLN   9 -10.858  -6.236  -1.351
   73   2HG   GLN   9          1HG       GLN   9  -9.897  -5.076  -2.240
   74   1HE2  GLN   9          2HE2      GLN   9  -8.005  -5.827  -3.271
   75   2HE2  GLN   9          1HE2      GLN   9  -7.476  -7.440  -3.202
   76    H    ARG  10           H        ARG  10  -6.084  -3.030   0.001
   77    HA   ARG  10           HA       ARG  10  -6.903  -1.844   2.638
   78   1HB   ARG  10          1HB       ARG  10  -4.853  -3.424   2.660
   79   2HB   ARG  10          2HB       ARG  10  -4.048  -2.244   1.635
   80   1HG   ARG  10          2HG       ARG  10  -4.246  -0.518   3.336
   81   2HG   ARG  10          1HG       ARG  10  -5.288  -1.527   4.325
   82   1HD   ARG  10          2HD       ARG  10  -3.335  -3.193   4.485
   83   2HD   ARG  10          1HD       ARG  10  -2.331  -1.961   3.727
   84    HE   ARG  10           HE       ARG  10  -3.802  -1.481   6.286
   85   1HH1  ARG  10          2HH2      ARG  10  -2.362   0.712   4.731
   86   2HH1  ARG  10          1HH2      ARG  10  -0.871   0.810   5.603
   87   1HH2  ARG  10          1HH1      ARG  10  -1.376  -2.262   7.210
   88   2HH2  ARG  10          2HH1      ARG  10  -0.296  -0.918   7.047
   89    H    LYS  11           H        LYS  11  -6.442   0.445   2.779
   90    HA   LYS  11           HA       LYS  11  -5.992   1.675   0.093
   91   1HB   LYS  11          1HB       LYS  11  -7.359   3.650   1.231
   92   2HB   LYS  11          2HB       LYS  11  -8.172   2.280   0.518
   93   1HG   LYS  11          2HG       LYS  11  -9.181   2.812   2.667
   94   2HG   LYS  11          1HG       LYS  11  -8.444   1.229   2.726
   95   1HD   LYS  11          2HD       LYS  11  -6.495   2.173   3.962
   96   2HD   LYS  11          1HD       LYS  11  -7.182   3.784   3.830
   97   1HE   LYS  11          2HE       LYS  11  -7.690   2.801   6.043
   98   2HE   LYS  11          1HE       LYS  11  -9.179   2.986   5.131
   99   1HZ   LYS  11          1HZ       LYS  11  -8.069   0.485   4.532
  100   2HZ   LYS  11          2HZ       LYS  11  -9.533   0.838   5.317
  101   3HZ   LYS  11          3HZ       LYS  11  -8.105   0.665   6.219
  102    H    PHE  12           H        PHE  12  -5.175   3.758   0.008
  103    HA   PHE  12           HA       PHE  12  -3.369   4.642   2.188
  104   1HB   PHE  12          1HB       PHE  12  -2.533   4.160  -0.733
  105   2HB   PHE  12          2HB       PHE  12  -1.493   4.786   0.530
  106    HD1  PHE  12           HD1      PHE  12  -0.924   3.372   2.502
  107    HD2  PHE  12           HD2      PHE  12  -3.150   1.757  -0.770
  108    HE1  PHE  12           HE1      PHE  12  -0.533   1.106   3.336
  109    HE2  PHE  12           HE2      PHE  12  -2.753  -0.508   0.084
  110    HZ   PHE  12           HZ       PHE  12  -1.458  -0.829   2.137
  111    H    SER  13           H        SER  13  -2.324   6.766   1.415
  112    HA   SER  13           HA       SER  13  -4.526   8.546   0.475
  113   1HB   SER  13          2HB       SER  13  -3.180  10.339   1.638
  114   2HB   SER  13          1HB       SER  13  -3.641   9.039   2.722
  115    HG   SER  13           HG       SER  13  -1.594   8.655   2.973
  116    H    ARG  14           H        ARG  14  -1.221   7.620  -0.120
  117    HA   ARG  14           HA       ARG  14  -1.156   9.375  -2.560
  118   1HB   ARG  14          1HB       ARG  14   1.284   8.224  -1.169
  119   2HB   ARG  14          2HB       ARG  14   1.191   9.480  -2.407
  120   1HG   ARG  14          2HG       ARG  14   0.160  11.018  -0.815
  121   2HG   ARG  14          1HG       ARG  14   0.215   9.809   0.453
  122   1HD   ARG  14          2HD       ARG  14   2.280  11.005   0.806
  123   2HD   ARG  14          1HD       ARG  14   2.756   9.615  -0.124
  124    HE   ARG  14           HE       ARG  14   2.777  10.970  -2.154
  125   1HH1  ARG  14          2HH2      ARG  14   1.047  13.160  -0.937
  126   2HH1  ARG  14          1HH2      ARG  14   2.201  14.426  -0.701
  127   1HH2  ARG  14          1HH1      ARG  14   4.937  12.274  -1.099
  128   2HH2  ARG  14          2HH1      ARG  14   4.460  13.911  -0.799
  129    H    SER  15           H        SER  15   0.502   8.454  -4.161
  130    HA   SER  15           HA       SER  15  -0.363   5.701  -4.838
  131   1HB   SER  15          2HB       SER  15   0.655   6.237  -7.078
  132   2HB   SER  15          1HB       SER  15  -0.412   7.519  -6.580
  133    HG   SER  15           HG       SER  15   2.229   7.640  -6.979
  134    H    ASP  16           H        ASP  16   2.506   7.575  -3.999
  135    HA   ASP  16           HA       ASP  16   4.416   5.462  -4.423
  136   1HB   ASP  16          1HB       ASP  16   5.890   6.878  -2.863
  137   2HB   ASP  16          2HB       ASP  16   5.226   7.809  -4.198
  138    H    HIS  17           H        HIS  17   2.407   6.630  -1.784
  139    HA   HIS  17           HA       HIS  17   3.299   4.925   0.260
  140   1HB   HIS  17          1HB       HIS  17   0.556   6.152  -0.347
  141   2HB   HIS  17          2HB       HIS  17   0.771   5.149   1.075
  142    HD1  HIS  17           HD1      HIS  17   0.123   7.908   1.846
  143    HD2  HIS  17           HD2      HIS  17   4.010   6.997   0.985
  144    HE1  HIS  17           HE1      HIS  17   1.489   9.605   2.918
  145    H    LEU  18           H        LEU  18   0.527   4.412  -1.919
  146    HA   LEU  18           HA       LEU  18  -0.151   1.784  -1.333
  147   1HB   LEU  18          1HB       LEU  18  -1.351   3.203  -2.971
  148   2HB   LEU  18          2HB       LEU  18   0.024   3.139  -4.067
  149    HG   LEU  18           HG       LEU  18  -0.293   0.615  -4.178
  150   1HD1  LEU  18          1HD1      LEU  18  -2.888   1.224  -2.765
  151   2HD1  LEU  18          2HD1      LEU  18  -1.547   0.291  -2.112
  152   3HD1  LEU  18          3HD1      LEU  18  -2.428  -0.306  -3.497
  153   1HD2  LEU  18          1HD2      LEU  18  -1.133   2.174  -5.949
  154   2HD2  LEU  18          2HD2      LEU  18  -2.644   2.361  -5.077
  155   3HD2  LEU  18          3HD2      LEU  18  -2.209   0.802  -5.752
  156    H    LYS  19           H        LYS  19   2.322   2.785  -3.714
  157    HA   LYS  19           HA       LYS  19   3.267   0.234  -4.419
  158   1HB   LYS  19          1HB       LYS  19   4.084   2.982  -4.787
  159   2HB   LYS  19          2HB       LYS  19   5.508   2.133  -4.229
  160   1HG   LYS  19          2HG       LYS  19   5.264   0.467  -6.028
  161   2HG   LYS  19          1HG       LYS  19   3.760   1.201  -6.553
  162   1HD   LYS  19          2HD       LYS  19   4.987   3.326  -7.061
  163   2HD   LYS  19          1HD       LYS  19   6.489   2.568  -6.559
  164   1HE   LYS  19          2HE       LYS  19   6.213   0.857  -8.363
  165   2HE   LYS  19          1HE       LYS  19   4.717   1.630  -8.867
  166   1HZ   LYS  19          1HZ       LYS  19   6.714   3.579  -8.719
  167   2HZ   LYS  19          2HZ       LYS  19   5.875   3.017 -10.083
  168   3HZ   LYS  19          3HZ       LYS  19   7.318   2.260  -9.607
  169    H    THR  20           H        THR  20   4.609   2.328  -1.849
  170    HA   THR  20           HA       THR  20   6.515   0.657  -0.741
  171    HB   THR  20           HB       THR  20   4.516   2.315   0.927
  172    HG1  THR  20           HG1      THR  20   6.785   3.546   0.380
  173   1HG2  THR  20          1HG2      THR  20   7.503   1.700   1.313
  174   2HG2  THR  20          2HG2      THR  20   6.241   0.862   2.201
  175   3HG2  THR  20          3HG2      THR  20   6.472   2.588   2.428
  176    H    HIS  21           H        HIS  21   3.131   0.610  -0.123
  177    HA   HIS  21           HA       HIS  21   3.094  -1.597   1.684
  178   1HB   HIS  21          1HB       HIS  21   1.181  -0.220   1.693
  179   2HB   HIS  21          2HB       HIS  21   0.943  -0.297  -0.038
  180    HD1  HIS  21           HD1      HIS  21   0.622  -2.463   2.975
  181    HD2  HIS  21           HD2      HIS  21  -0.559  -2.510  -0.957
  182    HE1  HIS  21           HE1      HIS  21  -0.920  -4.378   2.719
  183    H    THR  22           H        THR  22   2.175  -1.683  -1.803
  184    HA   THR  22           HA       THR  22   1.521  -4.296  -2.121
  185    HB   THR  22           HB       THR  22   2.363  -3.998  -4.457
  186    HG1  THR  22           HG1      THR  22   3.891  -2.260  -3.273
  187   1HG2  THR  22          1HG2      THR  22   0.882  -1.568  -3.342
  188   2HG2  THR  22          2HG2      THR  22   0.110  -3.065  -3.814
  189   3HG2  THR  22          3HG2      THR  22   0.888  -2.060  -5.023
  190    H    ARG  23           H        ARG  23   4.712  -2.995  -1.867
  191    HA   ARG  23           HA       ARG  23   6.339  -4.947  -2.779
  192   1HB   ARG  23          1HB       ARG  23   6.641  -3.394  -0.184
  193   2HB   ARG  23          2HB       ARG  23   7.944  -4.342  -0.879
  194   1HG   ARG  23          2HG       ARG  23   7.865  -2.997  -2.964
  195   2HG   ARG  23          1HG       ARG  23   6.540  -2.051  -2.323
  196   1HD   ARG  23          2HD       ARG  23   8.000  -1.248  -0.464
  197   2HD   ARG  23          1HD       ARG  23   9.326  -2.215  -1.091
  198    HE   ARG  23           HE       ARG  23   9.303  -0.789  -3.128
  199   1HH1  ARG  23          2HH2      ARG  23   9.724   0.820  -0.479
  200   2HH1  ARG  23          1HH2      ARG  23   8.754   2.213  -0.831
  201   1HH2  ARG  23          1HH1      ARG  23   7.170   0.755  -3.561
  202   2HH2  ARG  23          2HH1      ARG  23   7.301   2.176  -2.577
  203    H    THR  24           H        THR  24   4.273  -5.421  -0.018
  204    HA   THR  24           HA       THR  24   5.736  -7.859   0.857
  205    HB   THR  24           HB       THR  24   4.899  -6.123   2.471
  206    HG1  THR  24           HG1      THR  24   4.698  -8.838   2.556
  207   1HG2  THR  24          1HG2      THR  24   2.155  -7.405   1.902
  208   2HG2  THR  24          2HG2      THR  24   2.583  -5.765   1.457
  209   3HG2  THR  24          3HG2      THR  24   2.503  -6.224   3.148
  210    H    HIS  25           H        HIS  25   4.062  -7.541  -1.568
  211    HA   HIS  25           HA       HIS  25   2.402 -10.026  -1.350
  212   1HB   HIS  25          1HB       HIS  25   1.905  -7.589  -3.145
  213   2HB   HIS  25          2HB       HIS  25   1.038  -9.109  -3.267
  214    HD1  HIS  25           HD1      HIS  25   0.462  -9.499  -0.234
  215    HD2  HIS  25           HD2      HIS  25  -0.120  -5.981  -2.222
  216    HE1  HIS  25           HE1      HIS  25  -1.225  -8.233   1.064
  217    H    THR  26           H        THR  26   4.318  -7.849  -3.239
  218    HA   THR  26           HA       THR  26   4.911  -9.636  -5.452
  219    HB   THR  26           HB       THR  26   6.449  -7.107  -4.543
  220    HG1  THR  26           HG1      THR  26   3.953  -7.482  -5.410
  221   1HG2  THR  26          1HG2      THR  26   6.036  -8.370  -7.321
  222   2HG2  THR  26          2HG2      THR  26   7.518  -8.551  -6.398
  223   3HG2  THR  26          3HG2      THR  26   7.025  -6.961  -6.959
  224    H    GLY  27           H        GLY  27   6.488  -8.408  -2.650
  225   1HA   GLY  27          1HA       GLY  27   8.466 -10.651  -2.617
  226   2HA   GLY  27          2HA       GLY  27   8.703  -9.076  -1.803
  227    H    GLU  28           H        GLU  28   5.992 -11.110  -2.233
  228    HA   GLU  28           HA       GLU  28   4.257 -11.035  -0.423
  229   1HB   GLU  28          1HB       GLU  28   4.563 -12.882  -2.079
  230   2HB   GLU  28          2HB       GLU  28   5.625 -13.700  -0.963
  231   1HG   GLU  28          2HG       GLU  28   3.285 -14.573  -0.820
  232   2HG   GLU  28          1HG       GLU  28   3.763 -13.850   0.707
  233    H    LYS  29           H        LYS  29   6.151 -13.634   0.748
  234    HA   LYS  29           HA       LYS  29   6.528 -12.372   3.411
  235   1HB   LYS  29          1HB       LYS  29   5.585 -14.457   4.447
  236   2HB   LYS  29          2HB       LYS  29   4.410 -13.588   3.482
  237   1HG   LYS  29          2HG       LYS  29   5.213 -15.233   1.525
  238   2HG   LYS  29          1HG       LYS  29   5.822 -16.192   2.852
  239   1HD   LYS  29          2HD       LYS  29   3.590 -16.315   3.871
  240   2HD   LYS  29          1HD       LYS  29   2.942 -15.223   2.660
  241   1HE   LYS  29          2HE       LYS  29   3.520 -16.892   0.873
  242   2HE   LYS  29          1HE       LYS  29   4.064 -18.006   2.120
  243   1HZ   LYS  29          1HZ       LYS  29   1.515 -17.080   2.806
  244   2HZ   LYS  29          2HZ       LYS  29   1.996 -18.655   2.398
  245   3HZ   LYS  29          3HZ       LYS  29   1.476 -17.588   1.185
  Start of MODEL   14
    1   1H    LYS   1          1H        LYS   1  -8.568  11.663  -1.112
    2   2H    LYS   1          2H        LYS   1  -9.789  11.931  -2.260
    3   3H    LYS   1          3H        LYS   1  -8.432  12.947  -2.217
    4    HA   LYS   1           HA       LYS   1  -8.815  10.597  -3.667
    5   1HB   LYS   1          2HB       LYS   1  -6.490  11.238  -4.527
    6   2HB   LYS   1          1HB       LYS   1  -7.711  12.476  -4.638
    7   1HG   LYS   1          2HG       LYS   1  -6.839  13.736  -2.804
    8   2HG   LYS   1          1HG       LYS   1  -5.857  12.410  -2.223
    9   1HD   LYS   1          2HD       LYS   1  -5.415  13.658  -4.968
   10   2HD   LYS   1          1HD       LYS   1  -4.663  14.316  -3.527
   11   1HE   LYS   1          2HE       LYS   1  -4.363  11.396  -4.382
   12   2HE   LYS   1          1HE       LYS   1  -3.197  12.656  -4.759
   13   1HZ   LYS   1          1HZ       LYS   1  -3.768  12.830  -2.044
   14   2HZ   LYS   1          2HZ       LYS   1  -2.313  12.373  -2.785
   15   3HZ   LYS   1          3HZ       LYS   1  -3.461  11.201  -2.365
   16    HA   PRO   2           HA       PRO   2  -6.462   7.940  -0.672
   17   1HB   PRO   2          1HB       PRO   2  -8.934   6.293  -0.782
   18   2HB   PRO   2          2HB       PRO   2  -7.986   6.794   0.620
   19   1HG   PRO   2          2HG       PRO   2 -10.404   7.921   0.177
   20   2HG   PRO   2          1HG       PRO   2  -9.071   8.941   0.733
   21   1HD   PRO   2          1HD       PRO   2  -9.978   8.490  -2.170
   22   2HD   PRO   2          2HD       PRO   2  -9.791  10.033  -1.310
   23    H    PHE   3           H        PHE   3  -5.957   5.744  -1.152
   24    HA   PHE   3           HA       PHE   3  -6.225   4.971  -4.037
   25   1HB   PHE   3          1HB       PHE   3  -3.800   4.953  -2.193
   26   2HB   PHE   3          2HB       PHE   3  -3.837   4.013  -3.676
   27    HD1  PHE   3           HD1      PHE   3  -3.528   5.070  -5.796
   28    HD2  PHE   3           HD2      PHE   3  -4.115   7.479  -2.331
   29    HE1  PHE   3           HE1      PHE   3  -2.931   7.062  -7.082
   30    HE2  PHE   3           HE2      PHE   3  -3.529   9.479  -3.626
   31    HZ   PHE   3           HZ       PHE   3  -2.938   9.278  -6.005
   32    H    GLN   4           H        GLN   4  -5.964   2.625  -4.366
   33    HA   GLN   4           HA       GLN   4  -6.677   1.000  -1.957
   34   1HB   GLN   4          1HB       GLN   4  -8.752   1.430  -3.166
   35   2HB   GLN   4          2HB       GLN   4  -8.031   0.996  -4.690
   36   1HG   GLN   4          2HG       GLN   4  -9.412  -0.824  -4.067
   37   2HG   GLN   4          1HG       GLN   4  -7.766  -1.375  -3.896
   38   1HE2  GLN   4          1HE2      GLN   4 -10.704  -1.380  -2.374
   39   2HE2  GLN   4          2HE2      GLN   4 -10.175  -1.592  -0.778
   40    H    CYS   5           H        CYS   5  -6.014  -1.101  -1.939
   41    HA   CYS   5           HA       CYS   5  -3.780  -1.819  -3.795
   42   1HB   CYS   5          1HB       CYS   5  -3.293  -1.949  -1.394
   43   2HB   CYS   5          2HB       CYS   5  -4.670  -3.006  -1.141
   44    H    LYS   6           H        LYS   6  -4.281  -3.243  -5.371
   45    HA   LYS   6           HA       LYS   6  -6.907  -4.649  -5.252
   46   1HB   LYS   6          1HB       LYS   6  -4.949  -4.244  -7.561
   47   2HB   LYS   6          2HB       LYS   6  -6.506  -5.037  -7.695
   48   1HG   LYS   6          2HG       LYS   6  -6.059  -2.114  -6.973
   49   2HG   LYS   6          1HG       LYS   6  -6.678  -2.731  -8.489
   50   1HD   LYS   6          2HD       LYS   6  -8.583  -3.830  -7.083
   51   2HD   LYS   6          1HD       LYS   6  -8.022  -2.834  -5.752
   52   1HE   LYS   6          2HE       LYS   6  -9.847  -1.681  -6.883
   53   2HE   LYS   6          1HE       LYS   6  -8.357  -0.784  -7.161
   54   1HZ   LYS   6          1HZ       LYS   6  -8.618  -2.723  -9.157
   55   2HZ   LYS   6          2HZ       LYS   6  -8.639  -1.033  -9.315
   56   3HZ   LYS   6          3HZ       LYS   6 -10.086  -1.880  -9.042
   57    H    THR   7           H        THR   7  -4.942  -5.426  -3.561
   58    HA   THR   7           HA       THR   7  -4.380  -8.184  -4.507
   59    HB   THR   7           HB       THR   7  -2.470  -6.505  -2.761
   60    HG1  THR   7           HG1      THR   7  -2.964  -6.586  -5.435
   61   1HG2  THR   7          1HG2      THR   7  -2.150  -9.100  -4.384
   62   2HG2  THR   7          2HG2      THR   7  -2.298  -9.071  -2.634
   63   3HG2  THR   7          3HG2      THR   7  -0.907  -8.343  -3.417
   64    H    CYS   8           H        CYS   8  -4.696  -5.958  -1.748
   65    HA   CYS   8           HA       CYS   8  -6.098  -8.133  -0.238
   66   1HB   CYS   8          1HB       CYS   8  -5.048  -7.449   1.782
   67   2HB   CYS   8          2HB       CYS   8  -3.768  -7.742   0.597
   68    H    GLN   9           H        GLN   9  -6.627  -5.344  -1.669
   69    HA   GLN   9           HA       GLN   9  -8.116  -3.576  -1.463
   70   1HB   GLN   9          1HB       GLN   9  -9.593  -5.642   0.240
   71   2HB   GLN   9          2HB       GLN   9 -10.320  -4.195  -0.425
   72   1HG   GLN   9          2HG       GLN   9  -9.040  -6.407  -2.080
   73   2HG   GLN   9          1HG       GLN   9 -10.766  -6.186  -1.876
   74   1HE2  GLN   9          2HE2      GLN   9  -8.237  -5.498  -3.931
   75   2HE2  GLN   9          1HE2      GLN   9  -8.906  -4.168  -4.750
   76    H    ARG  10           H        ARG  10  -6.162  -2.976  -0.092
   77    HA   ARG  10           HA       ARG  10  -7.060  -1.904   2.563
   78   1HB   ARG  10          1HB       ARG  10  -5.142  -3.577   2.637
   79   2HB   ARG  10          2HB       ARG  10  -4.223  -2.509   1.582
   80   1HG   ARG  10          2HG       ARG  10  -4.362  -0.714   3.313
   81   2HG   ARG  10          1HG       ARG  10  -5.292  -1.790   4.349
   82   1HD   ARG  10          2HD       ARG  10  -3.396  -3.396   4.389
   83   2HD   ARG  10          1HD       ARG  10  -2.461  -2.331   3.351
   84    HE   ARG  10           HE       ARG  10  -2.666  -0.614   5.223
   85   1HH1  ARG  10          2HH2      ARG  10  -0.819  -2.957   5.776
   86   2HH1  ARG  10          1HH2      ARG  10  -1.262  -3.377   7.394
   87   1HH2  ARG  10          1HH1      ARG  10  -4.251  -1.544   7.256
   88   2HH2  ARG  10          2HH1      ARG  10  -3.261  -2.553   8.257
   89    H    LYS  11           H        LYS  11  -6.842   0.365   2.718
   90    HA   LYS  11           HA       LYS  11  -6.123   1.646   0.130
   91   1HB   LYS  11          1HB       LYS  11  -7.533   3.551   0.858
   92   2HB   LYS  11          2HB       LYS  11  -8.417   2.042   0.885
   93   1HG   LYS  11          2HG       LYS  11  -8.198   1.878   3.318
   94   2HG   LYS  11          1HG       LYS  11  -7.131   3.272   3.359
   95   1HD   LYS  11          2HD       LYS  11  -8.945   4.719   2.484
   96   2HD   LYS  11          1HD       LYS  11 -10.021   3.342   2.355
   97   1HE   LYS  11          2HE       LYS  11 -10.487   4.626   4.420
   98   2HE   LYS  11          1HE       LYS  11  -9.882   3.033   4.845
   99   1HZ   LYS  11          1HZ       LYS  11  -7.710   4.774   4.527
  100   2HZ   LYS  11          2HZ       LYS  11  -8.240   3.982   5.933
  101   3HZ   LYS  11          3HZ       LYS  11  -8.848   5.519   5.540
  102    H    PHE  12           H        PHE  12  -5.334   3.825   0.189
  103    HA   PHE  12           HA       PHE  12  -3.504   4.512   2.417
  104   1HB   PHE  12          1HB       PHE  12  -2.662   4.140  -0.510
  105   2HB   PHE  12          2HB       PHE  12  -1.609   4.746   0.754
  106    HD1  PHE  12           HD1      PHE  12  -0.990   3.261   2.671
  107    HD2  PHE  12           HD2      PHE  12  -3.287   1.770  -0.596
  108    HE1  PHE  12           HE1      PHE  12  -0.576   0.944   3.412
  109    HE2  PHE  12           HE2      PHE  12  -2.861  -0.526   0.148
  110    HZ   PHE  12           HZ       PHE  12  -1.519  -0.930   2.152
  111    H    SER  13           H        SER  13  -2.231   6.582   1.420
  112    HA   SER  13           HA       SER  13  -4.371   8.576   0.835
  113   1HB   SER  13          2HB       SER  13  -2.705  10.200   1.870
  114   2HB   SER  13          1HB       SER  13  -3.217   8.934   2.972
  115    HG   SER  13           HG       SER  13  -0.760   9.402   1.988
  116    H    ARG  14           H        ARG  14  -1.125   7.554  -0.078
  117    HA   ARG  14           HA       ARG  14  -1.333   9.197  -2.586
  118   1HB   ARG  14          1HB       ARG  14   1.207   8.309  -1.164
  119   2HB   ARG  14          2HB       ARG  14   1.122   9.259  -2.640
  120   1HG   ARG  14          2HG       ARG  14   0.017  11.092  -1.440
  121   2HG   ARG  14          1HG       ARG  14   0.067  10.176   0.055
  122   1HD   ARG  14          2HD       ARG  14   2.212  10.967   0.408
  123   2HD   ARG  14          1HD       ARG  14   2.726  10.089  -1.000
  124    HE   ARG  14           HE       ARG  14   1.700  12.887  -1.164
  125   1HH1  ARG  14          2HH2      ARG  14   4.660  11.831  -1.008
  126   2HH1  ARG  14          1HH2      ARG  14   5.130  12.068  -2.660
  127   1HH2  ARG  14          1HH1      ARG  14   1.849  12.539  -3.765
  128   2HH2  ARG  14          2HH1      ARG  14   3.513  12.473  -4.244
  129    H    SER  15           H        SER  15   0.329   8.258  -4.192
  130    HA   SER  15           HA       SER  15  -0.463   5.444  -4.717
  131   1HB   SER  15          2HB       SER  15   0.333   5.973  -7.051
  132   2HB   SER  15          1HB       SER  15  -0.776   7.192  -6.479
  133    HG   SER  15           HG       SER  15   1.589   7.911  -5.582
  134    H    ASP  16           H        ASP  16   2.276   7.522  -4.064
  135    HA   ASP  16           HA       ASP  16   4.293   5.475  -4.520
  136   1HB   ASP  16          1HB       ASP  16   5.809   7.244  -3.463
  137   2HB   ASP  16          2HB       ASP  16   4.880   7.839  -4.832
  138    H    HIS  17           H        HIS  17   1.961   5.917  -2.285
  139    HA   HIS  17           HA       HIS  17   3.429   4.830   0.042
  140   1HB   HIS  17          1HB       HIS  17   0.579   5.926  -0.350
  141   2HB   HIS  17          2HB       HIS  17   1.055   5.106   1.120
  142    HD1  HIS  17           HD1      HIS  17   0.384   7.874   1.703
  143    HD2  HIS  17           HD2      HIS  17   4.145   7.061   0.344
  144    HE1  HIS  17           HE1      HIS  17   1.781   9.740   2.384
  145    H    LEU  18           H        LEU  18   0.516   4.296  -1.956
  146    HA   LEU  18           HA       LEU  18  -0.128   1.697  -1.269
  147   1HB   LEU  18          1HB       LEU  18  -1.454   3.040  -2.886
  148   2HB   LEU  18          2HB       LEU  18  -0.142   2.963  -4.057
  149    HG   LEU  18           HG       LEU  18  -0.410   0.451  -4.138
  150   1HD1  LEU  18          1HD1      LEU  18  -2.858   0.912  -2.420
  151   2HD1  LEU  18          2HD1      LEU  18  -1.381   0.123  -1.873
  152   3HD1  LEU  18          3HD1      LEU  18  -2.337  -0.600  -3.137
  153   1HD2  LEU  18          1HD2      LEU  18  -1.614   1.902  -5.785
  154   2HD2  LEU  18          2HD2      LEU  18  -2.972   2.026  -4.671
  155   3HD2  LEU  18          3HD2      LEU  18  -2.549   0.476  -5.379
  156    H    LYS  19           H        LYS  19   2.214   2.703  -3.759
  157    HA   LYS  19           HA       LYS  19   3.161   0.201  -4.594
  158   1HB   LYS  19          1HB       LYS  19   3.821   2.287  -5.674
  159   2HB   LYS  19          2HB       LYS  19   4.597   2.861  -4.218
  160   1HG   LYS  19          2HG       LYS  19   6.164   0.756  -4.456
  161   2HG   LYS  19          1HG       LYS  19   5.459   0.553  -6.041
  162   1HD   LYS  19          2HD       LYS  19   7.540   1.779  -6.276
  163   2HD   LYS  19          1HD       LYS  19   6.231   2.889  -6.621
  164   1HE   LYS  19          2HE       LYS  19   7.939   3.940  -5.146
  165   2HE   LYS  19          1HE       LYS  19   6.416   3.833  -4.292
  166   1HZ   LYS  19          1HZ       LYS  19   7.869   1.461  -3.874
  167   2HZ   LYS  19          2HZ       LYS  19   7.425   2.636  -2.731
  168   3HZ   LYS  19          3HZ       LYS  19   8.886   2.783  -3.571
  169    H    THR  20           H        THR  20   4.811   2.256  -2.185
  170    HA   THR  20           HA       THR  20   6.681   0.512  -1.210
  171    HB   THR  20           HB       THR  20   4.946   2.528   0.373
  172    HG1  THR  20           HG1      THR  20   6.081   3.659  -1.038
  173   1HG2  THR  20          1HG2      THR  20   7.779   1.458   0.933
  174   2HG2  THR  20          2HG2      THR  20   6.387   0.944   1.871
  175   3HG2  THR  20          3HG2      THR  20   6.893   2.624   1.902
  176    H    HIS  21           H        HIS  21   3.326   0.596  -0.303
  177    HA   HIS  21           HA       HIS  21   3.347  -1.494   1.627
  178   1HB   HIS  21          1HB       HIS  21   1.431  -0.115   1.690
  179   2HB   HIS  21          2HB       HIS  21   1.151  -0.177  -0.030
  180    HD1  HIS  21           HD1      HIS  21   0.917  -2.415   2.946
  181    HD2  HIS  21           HD2      HIS  21  -0.554  -2.270  -0.886
  182    HE1  HIS  21           HE1      HIS  21  -0.719  -4.253   2.742
  183    H    THR  22           H        THR  22   2.182  -1.692  -1.773
  184    HA   THR  22           HA       THR  22   1.565  -4.333  -1.958
  185    HB   THR  22           HB       THR  22   2.200  -4.010  -4.410
  186    HG1  THR  22           HG1      THR  22   3.495  -2.463  -4.808
  187   1HG2  THR  22          1HG2      THR  22   0.573  -1.752  -3.126
  188   2HG2  THR  22          2HG2      THR  22  -0.077  -3.324  -3.537
  189   3HG2  THR  22          3HG2      THR  22   0.470  -2.243  -4.805
  190    H    ARG  23           H        ARG  23   4.728  -2.946  -2.081
  191    HA   ARG  23           HA       ARG  23   6.276  -4.910  -3.130
  192   1HB   ARG  23          1HB       ARG  23   6.906  -3.416  -0.550
  193   2HB   ARG  23          2HB       ARG  23   8.103  -4.259  -1.502
  194   1HG   ARG  23          2HG       ARG  23   6.517  -1.806  -2.353
  195   2HG   ARG  23          1HG       ARG  23   8.223  -1.883  -2.006
  196   1HD   ARG  23          2HD       ARG  23   8.471  -3.524  -3.946
  197   2HD   ARG  23          1HD       ARG  23   6.797  -3.163  -4.362
  198    HE   ARG  23           HE       ARG  23   7.501  -0.761  -4.600
  199   1HH1  ARG  23          1HH1      ARG  23  10.240  -2.425  -3.739
  200   2HH1  ARG  23          2HH1      ARG  23  11.208  -1.921  -5.083
  201   1HH2  ARG  23          2HH2      ARG  23   8.497  -0.472  -6.755
  202   2HH2  ARG  23          1HH2      ARG  23  10.200  -0.790  -6.826
  203    H    THR  24           H        THR  24   4.539  -5.289  -0.141
  204    HA   THR  24           HA       THR  24   6.071  -7.682   0.680
  205    HB   THR  24           HB       THR  24   5.347  -5.871   2.278
  206    HG1  THR  24           HG1      THR  24   5.216  -8.553   2.456
  207   1HG2  THR  24          1HG2      THR  24   2.607  -7.252   2.029
  208   2HG2  THR  24          2HG2      THR  24   2.926  -5.635   1.439
  209   3HG2  THR  24          3HG2      THR  24   3.028  -5.976   3.156
  210    H    HIS  25           H        HIS  25   3.872  -7.419  -1.521
  211    HA   HIS  25           HA       HIS  25   2.317  -9.897  -0.873
  212   1HB   HIS  25          1HB       HIS  25   1.861  -7.730  -2.986
  213   2HB   HIS  25          2HB       HIS  25   0.958  -9.228  -2.916
  214    HD1  HIS  25           HD1      HIS  25   0.430  -9.235   0.141
  215    HD2  HIS  25           HD2      HIS  25  -0.117  -5.962  -2.247
  216    HE1  HIS  25           HE1      HIS  25  -1.203  -7.784   1.302
  217    H    THR  26           H        THR  26   4.321  -8.188  -3.088
  218    HA   THR  26           HA       THR  26   4.689 -10.451  -4.917
  219    HB   THR  26           HB       THR  26   6.317  -8.789  -6.060
  220    HG1  THR  26           HG1      THR  26   5.915  -7.644  -3.618
  221   1HG2  THR  26          1HG2      THR  26   3.575  -7.616  -5.314
  222   2HG2  THR  26          2HG2      THR  26   3.828  -8.759  -6.622
  223   3HG2  THR  26          3HG2      THR  26   4.546  -7.159  -6.705
  224    H    GLY  27           H        GLY  27   6.727  -8.547  -2.842
  225   1HA   GLY  27          1HA       GLY  27   8.305  -9.464  -1.243
  226   2HA   GLY  27          2HA       GLY  27   8.371 -10.949  -2.183
  227    H    GLU  28           H        GLU  28   8.778  -9.991  -4.662
  228    HA   GLU  28           HA       GLU  28  11.533  -8.898  -4.527
  229   1HB   GLU  28          1HB       GLU  28  11.303 -11.177  -5.448
  230   2HB   GLU  28          2HB       GLU  28  10.134 -10.608  -6.613
  231   1HG   GLU  28          2HG       GLU  28  12.274 -10.884  -7.738
  232   2HG   GLU  28          1HG       GLU  28  11.920  -9.174  -7.674
  233    H    LYS  29           H        LYS  29   8.559  -8.647  -6.265
  234    HA   LYS  29           HA       LYS  29   9.450  -6.042  -7.480
  235   1HB   LYS  29          1HB       LYS  29   7.231  -7.896  -8.421
  236   2HB   LYS  29          2HB       LYS  29   7.766  -6.435  -9.233
  237   1HG   LYS  29          2HG       LYS  29  10.069  -7.468  -9.475
  238   2HG   LYS  29          1HG       LYS  29   9.425  -8.966  -8.830
  239   1HD   LYS  29          2HD       LYS  29   8.401  -7.545 -11.329
  240   2HD   LYS  29          1HD       LYS  29   9.473  -8.930 -11.334
  241   1HE   LYS  29          2HE       LYS  29   7.719 -10.321 -10.256
  242   2HE   LYS  29          1HE       LYS  29   6.632  -8.939 -10.207
  243   1HZ   LYS  29          1HZ       LYS  29   7.600  -9.195 -12.807
  244   2HZ   LYS  29          2HZ       LYS  29   6.011  -9.377 -12.242
  245   3HZ   LYS  29          3HZ       LYS  29   7.052 -10.718 -12.295
  Start of MODEL   15
    1   1H    LYS   1          1H        LYS   1  -7.596  11.654  -2.531
    2   2H    LYS   1          2H        LYS   1  -8.581  12.159  -3.819
    3   3H    LYS   1          3H        LYS   1  -7.012  12.787  -3.654
    4    HA   LYS   1           HA       LYS   1  -7.863  10.517  -5.051
    5   1HB   LYS   1          2HB       LYS   1  -5.433  10.496  -5.752
    6   2HB   LYS   1          1HB       LYS   1  -6.240  12.034  -5.942
    7   1HG   LYS   1          2HG       LYS   1  -5.143  12.949  -3.959
    8   2HG   LYS   1          1HG       LYS   1  -4.485  11.394  -3.519
    9   1HD   LYS   1          2HD       LYS   1  -2.716  12.699  -4.529
   10   2HD   LYS   1          1HD       LYS   1  -3.116  11.395  -5.619
   11   1HE   LYS   1          2HE       LYS   1  -4.249  14.210  -5.939
   12   2HE   LYS   1          1HE       LYS   1  -2.779  13.665  -6.727
   13   1HZ   LYS   1          1HZ       LYS   1  -4.741  11.761  -7.225
   14   2HZ   LYS   1          2HZ       LYS   1  -3.996  12.822  -8.319
   15   3HZ   LYS   1          3HZ       LYS   1  -5.424  13.287  -7.523
   16    HA   PRO   2           HA       PRO   2  -6.714   7.753  -1.438
   17   1HB   PRO   2          1HB       PRO   2  -8.966   6.210  -1.659
   18   2HB   PRO   2          2HB       PRO   2  -8.937   7.681  -0.681
   19   1HG   PRO   2          2HG       PRO   2  -9.851   7.403  -3.597
   20   2HG   PRO   2          1HG       PRO   2 -10.752   8.092  -2.240
   21   1HD   PRO   2          1HD       PRO   2  -9.396   9.751  -3.850
   22   2HD   PRO   2          2HD       PRO   2  -9.276  10.024  -2.097
   23    H    PHE   3           H        PHE   3  -5.798   5.855  -1.795
   24    HA   PHE   3           HA       PHE   3  -5.749   4.713  -4.575
   25   1HB   PHE   3          1HB       PHE   3  -3.533   5.057  -2.505
   26   2HB   PHE   3          2HB       PHE   3  -3.345   4.044  -3.919
   27    HD1  PHE   3           HD1      PHE   3  -3.375   5.078  -6.198
   28    HD2  PHE   3           HD2      PHE   3  -3.484   7.463  -2.673
   29    HE1  PHE   3           HE1      PHE   3  -2.748   7.049  -7.511
   30    HE2  PHE   3           HE2      PHE   3  -2.871   9.438  -3.994
   31    HZ   PHE   3           HZ       PHE   3  -2.506   9.240  -6.415
   32    H    GLN   4           H        GLN   4  -5.525   2.331  -4.593
   33    HA   GLN   4           HA       GLN   4  -5.956   1.043  -1.949
   34   1HB   GLN   4          1HB       GLN   4  -8.230   1.471  -2.875
   35   2HB   GLN   4          2HB       GLN   4  -7.797   0.633  -4.355
   36   1HG   GLN   4          2HG       GLN   4  -7.496  -1.480  -3.115
   37   2HG   GLN   4          1HG       GLN   4  -7.768  -0.670  -1.583
   38   1HE2  GLN   4          2HE2      GLN   4  -9.784  -1.113  -0.818
   39   2HE2  GLN   4          1HE2      GLN   4 -11.179  -1.324  -1.761
   40    H    CYS   5           H        CYS   5  -5.566  -1.130  -1.862
   41    HA   CYS   5           HA       CYS   5  -3.530  -2.096  -3.791
   42   1HB   CYS   5          1HB       CYS   5  -3.019  -2.183  -1.428
   43   2HB   CYS   5          2HB       CYS   5  -4.477  -3.113  -1.104
   44    H    LYS   6           H        LYS   6  -3.827  -3.819  -5.041
   45    HA   LYS   6           HA       LYS   6  -6.590  -4.907  -5.321
   46   1HB   LYS   6          1HB       LYS   6  -5.987  -5.469  -7.589
   47   2HB   LYS   6          2HB       LYS   6  -5.427  -3.840  -7.304
   48   1HG   LYS   6          2HG       LYS   6  -3.581  -6.283  -7.154
   49   2HG   LYS   6          1HG       LYS   6  -3.804  -5.315  -8.585
   50   1HD   LYS   6          2HD       LYS   6  -3.003  -3.295  -7.195
   51   2HD   LYS   6          1HD       LYS   6  -2.553  -4.456  -5.949
   52   1HE   LYS   6          2HE       LYS   6  -1.532  -4.705  -8.781
   53   2HE   LYS   6          1HE       LYS   6  -0.668  -3.859  -7.515
   54   1HZ   LYS   6          1HZ       LYS   6  -1.405  -6.355  -6.480
   55   2HZ   LYS   6          2HZ       LYS   6   0.138  -5.775  -6.857
   56   3HZ   LYS   6          3HZ       LYS   6  -0.757  -6.603  -8.033
   57    H    THR   7           H        THR   7  -4.687  -5.692  -3.283
   58    HA   THR   7           HA       THR   7  -4.567  -8.608  -3.892
   59    HB   THR   7           HB       THR   7  -2.401  -6.993  -2.396
   60    HG1  THR   7           HG1      THR   7  -1.875  -6.597  -4.391
   61   1HG2  THR   7          1HG2      THR   7  -2.542  -9.842  -3.610
   62   2HG2  THR   7          2HG2      THR   7  -2.640  -9.551  -1.882
   63   3HG2  THR   7          3HG2      THR   7  -1.168  -9.188  -2.757
   64    H    CYS   8           H        CYS   8  -4.693  -6.121  -1.341
   65    HA   CYS   8           HA       CYS   8  -6.170  -8.138   0.335
   66   1HB   CYS   8          1HB       CYS   8  -5.130  -7.128   2.312
   67   2HB   CYS   8          2HB       CYS   8  -3.903  -7.761   1.214
   68    H    GLN   9           H        GLN   9  -6.387  -5.387  -1.380
   69    HA   GLN   9           HA       GLN   9  -7.862  -3.619  -1.504
   70   1HB   GLN   9          1HB       GLN   9  -9.574  -5.567   0.127
   71   2HB   GLN   9          2HB       GLN   9 -10.178  -4.126  -0.653
   72   1HG   GLN   9          2HG       GLN   9 -10.647  -5.957  -2.149
   73   2HG   GLN   9          1HG       GLN   9  -9.359  -5.026  -2.876
   74   1HE2  GLN   9          2HE2      GLN   9  -7.918  -6.444  -3.872
   75   2HE2  GLN   9          1HE2      GLN   9  -7.446  -7.954  -3.259
   76    H    ARG  10           H        ARG  10  -6.073  -2.931  -0.046
   77    HA   ARG  10           HA       ARG  10  -7.089  -1.766   2.521
   78   1HB   ARG  10          1HB       ARG  10  -5.077  -3.317   2.642
   79   2HB   ARG  10          2HB       ARG  10  -4.226  -2.215   1.563
   80   1HG   ARG  10          2HG       ARG  10  -4.373  -0.418   3.212
   81   2HG   ARG  10          1HG       ARG  10  -5.354  -1.416   4.275
   82   1HD   ARG  10          2HD       ARG  10  -3.483  -3.084   4.375
   83   2HD   ARG  10          1HD       ARG  10  -2.488  -2.012   3.412
   84    HE   ARG  10           HE       ARG  10  -2.793  -0.319   5.291
   85   1HH1  ARG  10          1HH1      ARG  10  -0.971  -2.630   5.936
   86   2HH1  ARG  10          2HH1      ARG  10  -1.543  -3.121   7.497
   87   1HH2  ARG  10          2HH2      ARG  10  -4.553  -1.355   7.161
   88   2HH2  ARG  10          1HH2      ARG  10  -3.626  -2.379   8.208
   89    H    LYS  11           H        LYS  11  -6.736   0.551   2.688
   90    HA   LYS  11           HA       LYS  11  -6.249   1.758   0.000
   91   1HB   LYS  11          1HB       LYS  11  -7.741   3.611   0.733
   92   2HB   LYS  11          2HB       LYS  11  -8.543   2.068   0.930
   93   1HG   LYS  11          2HG       LYS  11  -7.799   2.086   3.388
   94   2HG   LYS  11          1HG       LYS  11  -7.190   3.707   3.133
   95   1HD   LYS  11          2HD       LYS  11  -9.352   3.976   4.108
   96   2HD   LYS  11          1HD       LYS  11  -9.549   4.383   2.416
   97   1HE   LYS  11          2HE       LYS  11 -10.455   2.087   1.968
   98   2HE   LYS  11          1HE       LYS  11 -10.224   1.674   3.660
   99   1HZ   LYS  11          1HZ       LYS  11 -11.665   4.060   3.532
  100   2HZ   LYS  11          2HZ       LYS  11 -12.169   2.545   4.107
  101   3HZ   LYS  11          3HZ       LYS  11 -12.394   2.948   2.474
  102    H    PHE  12           H        PHE  12  -5.300   3.870  -0.069
  103    HA   PHE  12           HA       PHE  12  -3.504   4.613   2.173
  104   1HB   PHE  12          1HB       PHE  12  -2.645   4.148  -0.739
  105   2HB   PHE  12          2HB       PHE  12  -1.605   4.766   0.529
  106    HD1  PHE  12           HD1      PHE  12  -1.071   3.335   2.515
  107    HD2  PHE  12           HD2      PHE  12  -3.261   1.755  -0.792
  108    HE1  PHE  12           HE1      PHE  12  -0.681   1.057   3.328
  109    HE2  PHE  12           HE2      PHE  12  -2.867  -0.514   0.028
  110    HZ   PHE  12           HZ       PHE  12  -1.579  -0.859   2.083
  111    H    SER  13           H        SER  13  -2.357   6.687   1.529
  112    HA   SER  13           HA       SER  13  -4.428   8.637   0.670
  113   1HB   SER  13          2HB       SER  13  -2.847  10.279   1.842
  114   2HB   SER  13          1HB       SER  13  -3.494   9.032   2.890
  115    HG   SER  13           HG       SER  13  -0.955   9.482   2.273
  116    H    ARG  14           H        ARG  14  -1.093   7.713   0.078
  117    HA   ARG  14           HA       ARG  14  -1.045   9.387  -2.413
  118   1HB   ARG  14          1HB       ARG  14   1.218   8.414  -0.634
  119   2HB   ARG  14          2HB       ARG  14   1.454   9.178  -2.202
  120   1HG   ARG  14          2HG       ARG  14   0.453  11.248  -1.442
  121   2HG   ARG  14          1HG       ARG  14  -0.007  10.519   0.088
  122   1HD   ARG  14          2HD       ARG  14   2.221  10.371   0.844
  123   2HD   ARG  14          1HD       ARG  14   2.932  10.513  -0.744
  124    HE   ARG  14           HE       ARG  14   2.116  12.936  -0.679
  125   1HH1  ARG  14          1HH1      ARG  14   3.843  11.440   1.697
  126   2HH1  ARG  14          2HH1      ARG  14   3.570  12.619   2.938
  127   1HH2  ARG  14          2HH2      ARG  14   1.157  14.324   1.044
  128   2HH2  ARG  14          1HH2      ARG  14   2.005  14.294   2.552
  129    H    SER  15           H        SER  15   0.340   8.484  -4.132
  130    HA   SER  15           HA       SER  15  -0.444   5.701  -4.673
  131   1HB   SER  15          2HB       SER  15   0.531   6.161  -6.952
  132   2HB   SER  15          1HB       SER  15  -0.492   7.481  -6.470
  133    HG   SER  15           HG       SER  15   1.839   8.008  -5.403
  134    H    ASP  16           H        ASP  16   2.427   7.582  -3.904
  135    HA   ASP  16           HA       ASP  16   4.364   5.512  -4.300
  136   1HB   ASP  16          1HB       ASP  16   5.732   7.011  -2.680
  137   2HB   ASP  16          2HB       ASP  16   5.177   7.797  -4.155
  138    H    HIS  17           H        HIS  17   2.158   6.419  -1.786
  139    HA   HIS  17           HA       HIS  17   3.295   4.798   0.268
  140   1HB   HIS  17          1HB       HIS  17   0.545   6.051  -0.198
  141   2HB   HIS  17          2HB       HIS  17   0.775   4.996   1.180
  142    HD1  HIS  17           HD1      HIS  17   0.239   7.774   2.024
  143    HD2  HIS  17           HD2      HIS  17   4.068   6.728   1.054
  144    HE1  HIS  17           HE1      HIS  17   1.693   9.397   3.106
  145    H    LEU  18           H        LEU  18   0.410   4.319  -1.773
  146    HA   LEU  18           HA       LEU  18  -0.216   1.681  -1.294
  147   1HB   LEU  18          1HB       LEU  18  -1.500   3.096  -2.832
  148   2HB   LEU  18          2HB       LEU  18  -0.159   3.154  -3.969
  149    HG   LEU  18           HG       LEU  18  -0.377   0.627  -4.227
  150   1HD1  LEU  18          1HD1      LEU  18  -2.924   1.001  -2.673
  151   2HD1  LEU  18          2HD1      LEU  18  -1.503   0.123  -2.117
  152   3HD1  LEU  18          3HD1      LEU  18  -2.398  -0.449  -3.507
  153   1HD2  LEU  18          1HD2      LEU  18  -1.397   2.252  -5.860
  154   2HD2  LEU  18          2HD2      LEU  18  -2.863   2.279  -4.895
  155   3HD2  LEU  18          3HD2      LEU  18  -2.371   0.800  -5.697
  156    H    LYS  19           H        LYS  19   2.151   2.760  -3.713
  157    HA   LYS  19           HA       LYS  19   3.072   0.309  -4.652
  158   1HB   LYS  19          1HB       LYS  19   4.690   2.853  -4.091
  159   2HB   LYS  19          2HB       LYS  19   5.266   1.550  -5.103
  160   1HG   LYS  19          2HG       LYS  19   2.648   2.927  -5.744
  161   2HG   LYS  19          1HG       LYS  19   4.164   3.664  -6.217
  162   1HD   LYS  19          2HD       LYS  19   4.703   1.548  -7.486
  163   2HD   LYS  19          1HD       LYS  19   3.143   0.894  -7.010
  164   1HE   LYS  19          2HE       LYS  19   1.996   2.812  -8.123
  165   2HE   LYS  19          1HE       LYS  19   3.558   3.456  -8.616
  166   1HZ   LYS  19          1HZ       LYS  19   3.457   0.790  -9.409
  167   2HZ   LYS  19          2HZ       LYS  19   3.476   2.184 -10.382
  168   3HZ   LYS  19          3HZ       LYS  19   1.995   1.519  -9.876
  169    H    THR  20           H        THR  20   4.749   2.168  -2.171
  170    HA   THR  20           HA       THR  20   6.604   0.346  -1.300
  171    HB   THR  20           HB       THR  20   4.967   2.256   0.476
  172    HG1  THR  20           HG1      THR  20   5.842   3.364  -1.153
  173   1HG2  THR  20          1HG2      THR  20   7.876   1.280   0.660
  174   2HG2  THR  20          2HG2      THR  20   6.602   0.662   1.701
  175   3HG2  THR  20          3HG2      THR  20   7.062   2.352   1.791
  176    H    HIS  21           H        HIS  21   3.277   0.569  -0.292
  177    HA   HIS  21           HA       HIS  21   3.260  -1.454   1.681
  178   1HB   HIS  21          1HB       HIS  21   1.335  -0.103   1.659
  179   2HB   HIS  21          2HB       HIS  21   1.070  -0.249  -0.061
  180    HD1  HIS  21           HD1      HIS  21   0.644  -2.191   3.072
  181    HD2  HIS  21           HD2      HIS  21  -0.358  -2.610  -0.890
  182    HE1  HIS  21           HE1      HIS  21  -0.886  -4.124   2.912
  183    H    THR  22           H        THR  22   2.089  -1.807  -1.618
  184    HA   THR  22           HA       THR  22   1.409  -4.451  -1.706
  185    HB   THR  22           HB       THR  22   2.853  -3.147  -4.010
  186    HG1  THR  22           HG1      THR  22   1.363  -1.650  -3.745
  187   1HG2  THR  22          1HG2      THR  22   0.306  -4.860  -3.880
  188   2HG2  THR  22          2HG2      THR  22   1.872  -5.518  -4.329
  189   3HG2  THR  22          3HG2      THR  22   1.103  -4.311  -5.342
  190    H    ARG  23           H        ARG  23   4.618  -3.247  -1.488
  191    HA   ARG  23           HA       ARG  23   6.137  -5.208  -2.664
  192   1HB   ARG  23          1HB       ARG  23   7.967  -4.539  -1.251
  193   2HB   ARG  23          2HB       ARG  23   6.966  -3.119  -1.454
  194   1HG   ARG  23          2HG       ARG  23   5.866  -3.642   0.789
  195   2HG   ARG  23          1HG       ARG  23   6.996  -4.963   0.977
  196   1HD   ARG  23          2HD       ARG  23   8.912  -3.489   0.918
  197   2HD   ARG  23          1HD       ARG  23   7.903  -2.084   0.589
  198    HE   ARG  23           HE       ARG  23   7.818  -3.663   3.135
  199   1HH1  ARG  23          2HH2      ARG  23   9.270  -1.139   3.208
  200   2HH1  ARG  23          1HH2      ARG  23   8.075   0.014   3.700
  201   1HH2  ARG  23          1HH1      ARG  23   5.415  -2.132   2.901
  202   2HH2  ARG  23          2HH1      ARG  23   5.823  -0.567   3.524
  203    H    THR  24           H        THR  24   4.251  -5.559   0.187
  204    HA   THR  24           HA       THR  24   5.590  -7.986   1.158
  205    HB   THR  24           HB       THR  24   4.473  -6.295   2.674
  206    HG1  THR  24           HG1      THR  24   3.003  -8.439   3.298
  207   1HG2  THR  24          1HG2      THR  24   1.887  -7.600   1.616
  208   2HG2  THR  24          2HG2      THR  24   2.351  -5.951   1.242
  209   3HG2  THR  24          3HG2      THR  24   1.989  -6.410   2.899
  210    H    HIS  25           H        HIS  25   3.887  -7.544  -1.433
  211    HA   HIS  25           HA       HIS  25   2.515 -10.196  -1.420
  212   1HB   HIS  25          1HB       HIS  25   1.749  -7.811  -3.135
  213   2HB   HIS  25          2HB       HIS  25   0.939  -9.353  -3.039
  214    HD1  HIS  25           HD1      HIS  25   0.305  -9.595  -0.124
  215    HD2  HIS  25           HD2      HIS  25   0.137  -6.004  -2.070
  216    HE1  HIS  25           HE1      HIS  25  -1.243  -8.184   1.183
  217    H    THR  26           H        THR  26   3.883  -7.709  -3.396
  218    HA   THR  26           HA       THR  26   4.713  -9.650  -5.477
  219    HB   THR  26           HB       THR  26   4.637  -6.588  -5.680
  220    HG1  THR  26           HG1      THR  26   2.699  -8.462  -5.521
  221   1HG2  THR  26          1HG2      THR  26   4.459  -8.815  -7.795
  222   2HG2  THR  26          2HG2      THR  26   5.920  -7.880  -7.514
  223   3HG2  THR  26          3HG2      THR  26   4.473  -7.086  -8.109
  224    H    GLY  27           H        GLY  27   6.053  -7.388  -3.246
  225   1HA   GLY  27          1HA       GLY  27   8.791  -7.785  -4.386
  226   2HA   GLY  27          2HA       GLY  27   8.346  -6.567  -3.205
  227    H    GLU  28           H        GLU  28   7.452  -9.906  -3.003
  228    HA   GLU  28           HA       GLU  28   9.409 -10.433  -0.816
  229   1HB   GLU  28          1HB       GLU  28   7.083  -9.823   0.091
  230   2HB   GLU  28          2HB       GLU  28   6.435 -11.210  -0.753
  231   1HG   GLU  28          2HG       GLU  28   8.597 -11.314   1.413
  232   2HG   GLU  28          1HG       GLU  28   6.908 -11.703   1.658
  233    H    LYS  29           H        LYS  29   6.851 -11.820  -2.674
  234    HA   LYS  29           HA       LYS  29   8.546 -14.169  -3.452
  235   1HB   LYS  29          1HB       LYS  29   6.359 -15.381  -3.740
  236   2HB   LYS  29          2HB       LYS  29   6.661 -14.905  -2.088
  237   1HG   LYS  29          2HG       LYS  29   5.169 -12.938  -2.360
  238   2HG   LYS  29          1HG       LYS  29   4.922 -13.326  -4.054
  239   1HD   LYS  29          2HD       LYS  29   3.963 -15.562  -3.330
  240   2HD   LYS  29          1HD       LYS  29   4.096 -15.029  -1.663
  241   1HE   LYS  29          2HE       LYS  29   2.470 -13.608  -3.817
  242   2HE   LYS  29          1HE       LYS  29   1.800 -14.656  -2.577
  243   1HZ   LYS  29          1HZ       LYS  29   3.423 -12.745  -1.333
  244   2HZ   LYS  29          2HZ       LYS  29   1.742 -12.955  -1.213
  245   3HZ   LYS  29          3HZ       LYS  29   2.387 -11.944  -2.414
  Start of MODEL   16
    1   1H    LYS   1          1H        LYS   1  -7.893  11.425  -1.167
    2   2H    LYS   1          2H        LYS   1  -9.183  11.941  -2.140
    3   3H    LYS   1          3H        LYS   1  -7.748  12.846  -2.082
    4    HA   LYS   1           HA       LYS   1  -8.439  10.768  -3.813
    5   1HB   LYS   1          2HB       LYS   1  -7.146  12.875  -4.359
    6   2HB   LYS   1          1HB       LYS   1  -5.810  12.277  -3.415
    7   1HG   LYS   1          2HG       LYS   1  -5.441  11.877  -5.827
    8   2HG   LYS   1          1HG       LYS   1  -5.467  10.377  -4.939
    9   1HD   LYS   1          2HD       LYS   1  -6.689  10.051  -6.980
   10   2HD   LYS   1          1HD       LYS   1  -7.856  10.002  -5.689
   11   1HE   LYS   1          2HE       LYS   1  -7.293  12.492  -7.365
   12   2HE   LYS   1          1HE       LYS   1  -8.580  11.354  -7.719
   13   1HZ   LYS   1          1HZ       LYS   1  -8.795  12.098  -5.036
   14   2HZ   LYS   1          2HZ       LYS   1  -9.865  12.404  -6.313
   15   3HZ   LYS   1          3HZ       LYS   1  -8.619  13.504  -5.966
   16    HA   PRO   2           HA       PRO   2  -6.269   7.764  -1.043
   17   1HB   PRO   2          1HB       PRO   2  -8.227   5.926  -0.867
   18   2HB   PRO   2          2HB       PRO   2  -8.270   7.388   0.133
   19   1HG   PRO   2          2HG       PRO   2  -9.642   6.929  -2.581
   20   2HG   PRO   2          1HG       PRO   2 -10.396   7.463  -1.073
   21   1HD   PRO   2          1HD       PRO   2  -9.601   9.274  -2.935
   22   2HD   PRO   2          2HD       PRO   2  -9.395   9.643  -1.211
   23    H    PHE   3           H        PHE   3  -5.654   5.703  -1.512
   24    HA   PHE   3           HA       PHE   3  -5.748   4.814  -4.373
   25   1HB   PHE   3          1HB       PHE   3  -3.417   5.032  -2.425
   26   2HB   PHE   3          2HB       PHE   3  -3.328   4.048  -3.875
   27    HD1  PHE   3           HD1      PHE   3  -2.891   5.053  -5.983
   28    HD2  PHE   3           HD2      PHE   3  -3.917   7.542  -2.682
   29    HE1  PHE   3           HE1      PHE   3  -2.310   7.034  -7.298
   30    HE2  PHE   3           HE2      PHE   3  -3.335   9.530  -4.012
   31    HZ   PHE   3           HZ       PHE   3  -2.535   9.283  -6.315
   32    H    GLN   4           H        GLN   4  -5.554   2.421  -4.560
   33    HA   GLN   4           HA       GLN   4  -5.968   1.000  -1.966
   34   1HB   GLN   4          1HB       GLN   4  -8.203   1.447  -2.943
   35   2HB   GLN   4          2HB       GLN   4  -7.721   0.651  -4.431
   36   1HG   GLN   4          2HG       GLN   4  -7.406  -1.500  -3.205
   37   2HG   GLN   4          1HG       GLN   4  -7.792  -0.713  -1.683
   38   1HE2  GLN   4          2HE2      GLN   4  -9.886  -1.115  -1.067
   39   2HE2  GLN   4          1HE2      GLN   4 -11.192  -1.358  -2.122
   40    H    CYS   5           H        CYS   5  -5.490  -1.119  -1.894
   41    HA   CYS   5           HA       CYS   5  -3.536  -2.124  -3.879
   42   1HB   CYS   5          1HB       CYS   5  -2.747  -2.008  -1.608
   43   2HB   CYS   5          2HB       CYS   5  -4.167  -2.860  -1.015
   44    H    LYS   6           H        LYS   6  -4.620  -3.269  -5.372
   45    HA   LYS   6           HA       LYS   6  -7.085  -4.754  -4.718
   46   1HB   LYS   6          1HB       LYS   6  -7.307  -5.071  -7.128
   47   2HB   LYS   6          2HB       LYS   6  -6.897  -3.406  -6.863
   48   1HG   LYS   6          2HG       LYS   6  -5.031  -5.614  -7.913
   49   2HG   LYS   6          1HG       LYS   6  -5.672  -4.261  -8.792
   50   1HD   LYS   6          2HD       LYS   6  -3.632  -4.030  -6.540
   51   2HD   LYS   6          1HD       LYS   6  -3.313  -3.917  -8.244
   52   1HE   LYS   6          2HE       LYS   6  -4.656  -1.930  -8.520
   53   2HE   LYS   6          1HE       LYS   6  -5.246  -2.020  -6.865
   54   1HZ   LYS   6          1HZ       LYS   6  -2.948  -0.775  -7.802
   55   2HZ   LYS   6          2HZ       LYS   6  -2.467  -2.026  -6.756
   56   3HZ   LYS   6          3HZ       LYS   6  -3.584  -0.856  -6.229
   57    H    THR   7           H        THR   7  -4.806  -5.531  -3.420
   58    HA   THR   7           HA       THR   7  -4.292  -8.237  -4.524
   59    HB   THR   7           HB       THR   7  -2.346  -6.623  -2.766
   60    HG1  THR   7           HG1      THR   7  -1.615  -7.053  -5.317
   61   1HG2  THR   7          1HG2      THR   7  -1.982  -9.045  -4.624
   62   2HG2  THR   7          2HG2      THR   7  -2.072  -9.180  -2.874
   63   3HG2  THR   7          3HG2      THR   7  -0.739  -8.316  -3.625
   64    H    CYS   8           H        CYS   8  -4.762  -6.143  -1.685
   65    HA   CYS   8           HA       CYS   8  -5.738  -8.546  -0.172
   66   1HB   CYS   8          1HB       CYS   8  -4.817  -7.595   1.873
   67   2HB   CYS   8          2HB       CYS   8  -3.516  -7.709   0.681
   68    H    GLN   9           H        GLN   9  -5.937  -5.242  -0.934
   69    HA   GLN   9           HA       GLN   9  -7.842  -3.931  -1.251
   70   1HB   GLN   9          1HB       GLN   9  -9.186  -6.228  -0.867
   71   2HB   GLN   9          2HB       GLN   9  -9.439  -5.598   0.751
   72   1HG   GLN   9          2HG       GLN   9 -11.279  -4.850  -0.492
   73   2HG   GLN   9          1HG       GLN   9 -10.200  -3.464  -0.365
   74   1HE2  GLN   9          2HE2      GLN   9  -8.746  -5.474  -2.647
   75   2HE2  GLN   9          1HE2      GLN   9  -9.463  -4.838  -4.051
   76    H    ARG  10           H        ARG  10  -5.915  -3.119   0.037
   77    HA   ARG  10           HA       ARG  10  -6.888  -1.906   2.612
   78   1HB   ARG  10          1HB       ARG  10  -4.841  -3.465   2.774
   79   2HB   ARG  10          2HB       ARG  10  -3.990  -2.332   1.731
   80   1HG   ARG  10          2HG       ARG  10  -4.234  -0.554   3.393
   81   2HG   ARG  10          1HG       ARG  10  -5.294  -1.556   4.376
   82   1HD   ARG  10          2HD       ARG  10  -3.378  -3.186   4.677
   83   2HD   ARG  10          1HD       ARG  10  -2.338  -2.111   3.772
   84    HE   ARG  10           HE       ARG  10  -2.067  -1.659   6.187
   85   1HH1  ARG  10          2HH2      ARG  10  -4.890  -1.729   7.031
   86   2HH1  ARG  10          1HH2      ARG  10  -5.279  -0.051   7.218
   87   1HH2  ARG  10          1HH1      ARG  10  -2.498   0.998   5.348
   88   2HH2  ARG  10          2HH1      ARG  10  -3.884   1.528   6.244
   89    H    LYS  11           H        LYS  11  -6.333   0.397   2.801
   90    HA   LYS  11           HA       LYS  11  -5.898   1.637   0.115
   91   1HB   LYS  11          1HB       LYS  11  -7.324   3.533   0.941
   92   2HB   LYS  11          2HB       LYS  11  -8.176   2.013   0.789
   93   1HG   LYS  11          2HG       LYS  11  -7.937   1.620   3.240
   94   2HG   LYS  11          1HG       LYS  11  -7.041   3.122   3.395
   95   1HD   LYS  11          2HD       LYS  11  -8.978   4.425   2.664
   96   2HD   LYS  11          1HD       LYS  11  -9.887   2.970   2.296
   97   1HE   LYS  11          2HE       LYS  11  -8.901   3.716   5.082
   98   2HE   LYS  11          1HE       LYS  11 -10.540   3.962   4.497
   99   1HZ   LYS  11          1HZ       LYS  11  -9.811   1.306   3.991
  100   2HZ   LYS  11          2HZ       LYS  11 -11.010   1.898   5.036
  101   3HZ   LYS  11          3HZ       LYS  11  -9.430   1.662   5.609
  102    H    PHE  12           H        PHE  12  -5.076   3.750   0.053
  103    HA   PHE  12           HA       PHE  12  -3.309   4.603   2.290
  104   1HB   PHE  12          1HB       PHE  12  -2.388   4.179  -0.621
  105   2HB   PHE  12          2HB       PHE  12  -1.385   4.745   0.700
  106    HD1  PHE  12           HD1      PHE  12  -1.021   3.281   2.699
  107    HD2  PHE  12           HD2      PHE  12  -3.003   1.787  -0.773
  108    HE1  PHE  12           HE1      PHE  12  -0.767   0.988   3.533
  109    HE2  PHE  12           HE2      PHE  12  -2.744  -0.501   0.062
  110    HZ   PHE  12           HZ       PHE  12  -1.639  -0.891   2.224
  111    H    SER  13           H        SER  13  -2.121   6.715   1.342
  112    HA   SER  13           HA       SER  13  -4.335   8.566   0.589
  113   1HB   SER  13          2HB       SER  13  -2.803  10.318   1.623
  114   2HB   SER  13          1HB       SER  13  -3.322   9.088   2.755
  115    HG   SER  13           HG       SER  13  -1.327   8.487   2.922
  116    H    ARG  14           H        ARG  14  -1.015   7.693  -0.204
  117    HA   ARG  14           HA       ARG  14  -1.199   9.308  -2.727
  118   1HB   ARG  14          1HB       ARG  14   1.264   8.594  -1.080
  119   2HB   ARG  14          2HB       ARG  14   1.298   9.388  -2.650
  120   1HG   ARG  14          2HG       ARG  14   0.120  11.315  -1.821
  121   2HG   ARG  14          1HG       ARG  14  -0.135  10.552  -0.257
  122   1HD   ARG  14          2HD       ARG  14   2.179  10.629   0.299
  123   2HD   ARG  14          1HD       ARG  14   2.693  10.943  -1.338
  124    HE   ARG  14           HE       ARG  14   1.626  13.219  -1.071
  125   1HH1  ARG  14          1HH1      ARG  14   3.867  12.530   0.985
  126   2HH1  ARG  14          2HH1      ARG  14   3.209  13.270   2.405
  127   1HH2  ARG  14          2HH2      ARG  14   0.019  13.601   0.978
  128   2HH2  ARG  14          1HH2      ARG  14   0.958  13.895   2.403
  129    H    SER  15           H        SER  15   0.703   8.379  -4.222
  130    HA   SER  15           HA       SER  15  -0.096   5.584  -4.807
  131   1HB   SER  15          2HB       SER  15   0.957   6.030  -7.042
  132   2HB   SER  15          1HB       SER  15  -0.156   7.315  -6.634
  133    HG   SER  15           HG       SER  15   2.493   7.460  -6.990
  134    H    ASP  16           H        ASP  16   2.687   7.542  -3.890
  135    HA   ASP  16           HA       ASP  16   4.613   5.364  -4.171
  136   1HB   ASP  16          1HB       ASP  16   6.211   6.915  -3.142
  137   2HB   ASP  16          2HB       ASP  16   5.243   7.848  -4.269
  138    H    HIS  17           H        HIS  17   2.061   5.759  -2.258
  139    HA   HIS  17           HA       HIS  17   3.247   4.654   0.214
  140   1HB   HIS  17          1HB       HIS  17   0.495   5.891  -0.379
  141   2HB   HIS  17          2HB       HIS  17   0.886   5.093   1.137
  142    HD1  HIS  17           HD1      HIS  17   0.302   7.763   1.818
  143    HD2  HIS  17           HD2      HIS  17   3.984   7.082   0.204
  144    HE1  HIS  17           HE1      HIS  17   1.688   9.656   2.465
  145    H    LEU  18           H        LEU  18   0.842   4.259  -2.300
  146    HA   LEU  18           HA       LEU  18  -0.168   1.702  -1.501
  147   1HB   LEU  18          1HB       LEU  18  -1.395   3.149  -3.091
  148   2HB   LEU  18          2HB       LEU  18  -0.070   3.046  -4.246
  149    HG   LEU  18           HG       LEU  18  -0.477   0.525  -4.351
  150   1HD1  LEU  18          1HD1      LEU  18  -2.956   1.159  -2.765
  151   2HD1  LEU  18          2HD1      LEU  18  -1.579   0.213  -2.208
  152   3HD1  LEU  18          3HD1      LEU  18  -2.540  -0.365  -3.540
  153   1HD2  LEU  18          1HD2      LEU  18  -1.427   2.116  -6.065
  154   2HD2  LEU  18          2HD2      LEU  18  -2.872   2.290  -5.075
  155   3HD2  LEU  18          3HD2      LEU  18  -2.480   0.742  -5.793
  156    H    LYS  19           H        LYS  19   2.288   2.628  -3.922
  157    HA   LYS  19           HA       LYS  19   3.028   0.036  -4.777
  158   1HB   LYS  19          1HB       LYS  19   3.795   2.111  -5.892
  159   2HB   LYS  19          2HB       LYS  19   4.688   2.581  -4.463
  160   1HG   LYS  19          2HG       LYS  19   6.278   0.766  -4.749
  161   2HG   LYS  19          1HG       LYS  19   5.302   0.026  -6.008
  162   1HD   LYS  19          2HD       LYS  19   5.721   1.869  -7.534
  163   2HD   LYS  19          1HD       LYS  19   6.436   2.849  -6.274
  164   1HE   LYS  19          2HE       LYS  19   8.177   1.881  -7.732
  165   2HE   LYS  19          1HE       LYS  19   8.336   1.212  -6.117
  166   1HZ   LYS  19          1HZ       LYS  19   6.575  -0.398  -7.609
  167   2HZ   LYS  19          2HZ       LYS  19   8.088  -0.794  -6.949
  168   3HZ   LYS  19          3HZ       LYS  19   7.988  -0.143  -8.512
  169    H    THR  20           H        THR  20   4.764   2.059  -2.437
  170    HA   THR  20           HA       THR  20   6.519   0.283  -1.323
  171    HB   THR  20           HB       THR  20   4.895   2.476   0.141
  172    HG1  THR  20           HG1      THR  20   6.199   3.593  -1.018
  173   1HG2  THR  20          1HG2      THR  20   7.623   1.261   0.892
  174   2HG2  THR  20          2HG2      THR  20   6.153   0.906   1.786
  175   3HG2  THR  20          3HG2      THR  20   6.784   2.539   1.753
  176    H    HIS  21           H        HIS  21   3.113   0.478  -0.567
  177    HA   HIS  21           HA       HIS  21   3.184  -1.453   1.560
  178   1HB   HIS  21          1HB       HIS  21   1.311  -0.001   1.650
  179   2HB   HIS  21          2HB       HIS  21   0.942  -0.186  -0.054
  180    HD1  HIS  21           HD1      HIS  21   0.704  -2.142   3.145
  181    HD2  HIS  21           HD2      HIS  21  -0.570  -2.447  -0.734
  182    HE1  HIS  21           HE1      HIS  21  -0.849  -4.062   3.061
  183    H    THR  22           H        THR  22   1.914  -1.746  -1.757
  184    HA   THR  22           HA       THR  22   1.123  -4.427  -1.687
  185    HB   THR  22           HB       THR  22   2.442  -3.111  -4.083
  186    HG1  THR  22           HG1      THR  22   0.873  -1.787  -3.137
  187   1HG2  THR  22          1HG2      THR  22   0.074  -5.062  -3.865
  188   2HG2  THR  22          2HG2      THR  22   1.682  -5.555  -4.375
  189   3HG2  THR  22          3HG2      THR  22   0.752  -4.440  -5.358
  190    H    ARG  23           H        ARG  23   4.255  -3.165  -1.728
  191    HA   ARG  23           HA       ARG  23   5.903  -5.133  -2.725
  192   1HB   ARG  23          1HB       ARG  23   6.559  -2.884  -1.796
  193   2HB   ARG  23          2HB       ARG  23   6.332  -3.522  -0.179
  194   1HG   ARG  23          2HG       ARG  23   8.106  -5.236  -0.605
  195   2HG   ARG  23          1HG       ARG  23   8.344  -4.561  -2.209
  196   1HD   ARG  23          2HD       ARG  23   8.737  -3.025   0.383
  197   2HD   ARG  23          1HD       ARG  23  10.023  -3.716  -0.600
  198    HE   ARG  23           HE       ARG  23   8.180  -1.532  -1.519
  199   1HH1  ARG  23          1HH1      ARG  23  11.389  -2.563  -0.979
  200   2HH1  ARG  23          2HH1      ARG  23  12.036  -1.718  -2.342
  201   1HH2  ARG  23          2HH2      ARG  23   8.907  -0.725  -3.514
  202   2HH2  ARG  23          1HH2      ARG  23  10.615  -0.666  -3.798
  203    H    THR  24           H        THR  24   4.014  -5.259   0.194
  204    HA   THR  24           HA       THR  24   5.398  -7.537   1.393
  205    HB   THR  24           HB       THR  24   3.493  -7.465   3.051
  206    HG1  THR  24           HG1      THR  24   2.583  -5.342   1.425
  207   1HG2  THR  24          1HG2      THR  24   4.386  -4.611   2.299
  208   2HG2  THR  24          2HG2      THR  24   5.338  -5.687   3.308
  209   3HG2  THR  24          3HG2      THR  24   3.763  -5.136   3.850
  210    H    HIS  25           H        HIS  25   3.655  -7.430  -1.259
  211    HA   HIS  25           HA       HIS  25   2.414 -10.125  -0.935
  212   1HB   HIS  25          1HB       HIS  25   1.545  -7.989  -2.935
  213   2HB   HIS  25          2HB       HIS  25   0.786  -9.530  -2.624
  214    HD1  HIS  25           HD1      HIS  25   0.229  -9.459   0.296
  215    HD2  HIS  25           HD2      HIS  25  -0.041  -6.081  -1.999
  216    HE1  HIS  25           HE1      HIS  25  -1.278  -7.925   1.509
  217    H    THR  26           H        THR  26   3.551  -7.809  -3.264
  218    HA   THR  26           HA       THR  26   5.078  -9.926  -4.730
  219    HB   THR  26           HB       THR  26   3.494  -7.620  -6.044
  220    HG1  THR  26           HG1      THR  26   2.831 -10.048  -5.022
  221   1HG2  THR  26          1HG2      THR  26   4.630 -10.238  -7.204
  222   2HG2  THR  26          2HG2      THR  26   5.407  -8.681  -7.443
  223   3HG2  THR  26          3HG2      THR  26   3.810  -8.969  -8.099
  224    H    GLY  27           H        GLY  27   6.481  -8.722  -2.930
  225   1HA   GLY  27          1HA       GLY  27   8.075  -6.597  -4.341
  226   2HA   GLY  27          2HA       GLY  27   7.850  -6.612  -2.595
  227    H    GLU  28           H        GLU  28   8.675  -8.941  -5.069
  228    HA   GLU  28           HA       GLU  28  11.067  -9.832  -3.497
  229   1HB   GLU  28          1HB       GLU  28   9.116 -11.494  -3.720
  230   2HB   GLU  28          2HB       GLU  28   9.357 -11.462  -5.450
  231   1HG   GLU  28          2HG       GLU  28  10.841 -13.180  -5.145
  232   2HG   GLU  28          1HG       GLU  28  11.947 -11.985  -4.500
  233    H    LYS  29           H        LYS  29  11.596  -7.769  -4.813
  234    HA   LYS  29           HA       LYS  29  12.589  -8.486  -7.547
  235   1HB   LYS  29          1HB       LYS  29  10.955  -6.568  -7.389
  236   2HB   LYS  29          2HB       LYS  29  12.079  -5.736  -6.331
  237   1HG   LYS  29          2HG       LYS  29  13.792  -5.733  -8.169
  238   2HG   LYS  29          1HG       LYS  29  12.648  -6.567  -9.212
  239   1HD   LYS  29          2HD       LYS  29  11.073  -4.664  -9.057
  240   2HD   LYS  29          1HD       LYS  29  12.153  -3.830  -7.953
  241   1HE   LYS  29          2HE       LYS  29  13.916  -3.805  -9.763
  242   2HE   LYS  29          1HE       LYS  29  12.751  -4.558 -10.848
  243   1HZ   LYS  29          1HZ       LYS  29  11.522  -2.353  -9.673
  244   2HZ   LYS  29          2HZ       LYS  29  11.959  -2.583 -11.299
  245   3HZ   LYS  29          3HZ       LYS  29  13.051  -1.857 -10.219
  Start of MODEL   17
    1   1H    LYS   1          1H        LYS   1  -8.243  11.940  -1.879
    2   2H    LYS   1          2H        LYS   1  -9.204  12.216  -3.250
    3   3H    LYS   1          3H        LYS   1  -7.692  12.974  -3.104
    4    HA   LYS   1           HA       LYS   1  -8.308  10.500  -4.255
    5   1HB   LYS   1          2HB       LYS   1  -5.710  12.029  -3.788
    6   2HB   LYS   1          1HB       LYS   1  -5.781  10.545  -4.704
    7   1HG   LYS   1          2HG       LYS   1  -5.865  12.291  -6.315
    8   2HG   LYS   1          1HG       LYS   1  -7.463  11.593  -6.247
    9   1HD   LYS   1          2HD       LYS   1  -7.598  14.039  -6.390
   10   2HD   LYS   1          1HD       LYS   1  -8.284  13.506  -4.879
   11   1HE   LYS   1          2HE       LYS   1  -6.806  15.496  -4.597
   12   2HE   LYS   1          1HE       LYS   1  -6.150  14.137  -3.702
   13   1HZ   LYS   1          1HZ       LYS   1  -5.169  14.086  -6.335
   14   2HZ   LYS   1          2HZ       LYS   1  -4.312  14.274  -4.882
   15   3HZ   LYS   1          3HZ       LYS   1  -4.930  15.636  -5.688
   16    HA   PRO   2           HA       PRO   2  -6.908   7.887  -0.747
   17   1HB   PRO   2          1HB       PRO   2  -9.458   6.477  -1.229
   18   2HB   PRO   2          2HB       PRO   2  -8.820   7.114   0.286
   19   1HG   PRO   2          2HG       PRO   2 -10.973   8.308  -0.903
   20   2HG   PRO   2          1HG       PRO   2  -9.767   9.283  -0.057
   21   1HD   PRO   2          1HD       PRO   2  -9.917   8.688  -3.063
   22   2HD   PRO   2          2HD       PRO   2  -9.782  10.271  -2.249
   23    H    PHE   3           H        PHE   3  -6.029   5.997  -1.239
   24    HA   PHE   3           HA       PHE   3  -6.241   4.938  -4.040
   25   1HB   PHE   3          1HB       PHE   3  -3.868   5.282  -2.183
   26   2HB   PHE   3          2HB       PHE   3  -3.797   4.190  -3.559
   27    HD1  PHE   3           HD1      PHE   3  -3.252   5.029  -5.676
   28    HD2  PHE   3           HD2      PHE   3  -4.456   7.761  -2.640
   29    HE1  PHE   3           HE1      PHE   3  -2.626   6.903  -7.121
   30    HE2  PHE   3           HE2      PHE   3  -3.833   9.641  -4.087
   31    HZ   PHE   3           HZ       PHE   3  -2.920   9.218  -6.333
   32    H    GLN   4           H        GLN   4  -5.929   2.618  -4.172
   33    HA   GLN   4           HA       GLN   4  -6.188   1.151  -1.598
   34   1HB   GLN   4          1HB       GLN   4  -8.495   1.587  -2.480
   35   2HB   GLN   4          2HB       GLN   4  -8.059   0.786  -3.980
   36   1HG   GLN   4          2HG       GLN   4  -7.621  -1.332  -2.718
   37   2HG   GLN   4          1HG       GLN   4  -8.046  -0.526  -1.217
   38   1HE2  GLN   4          2HE2      GLN   4 -10.082  -1.166  -0.603
   39   2HE2  GLN   4          1HE2      GLN   4 -11.386  -1.429  -1.657
   40    H    CYS   5           H        CYS   5  -5.662  -1.037  -1.721
   41    HA   CYS   5           HA       CYS   5  -3.691  -1.664  -3.855
   42   1HB   CYS   5          1HB       CYS   5  -3.040  -2.023  -1.517
   43   2HB   CYS   5          2HB       CYS   5  -4.436  -3.064  -1.263
   44    H    LYS   6           H        LYS   6  -3.913  -3.306  -5.258
   45    HA   LYS   6           HA       LYS   6  -6.640  -4.514  -5.487
   46   1HB   LYS   6          1HB       LYS   6  -4.411  -4.044  -7.510
   47   2HB   LYS   6          2HB       LYS   6  -5.914  -4.818  -7.934
   48   1HG   LYS   6          2HG       LYS   6  -5.533  -1.958  -6.894
   49   2HG   LYS   6          1HG       LYS   6  -5.932  -2.400  -8.534
   50   1HD   LYS   6          2HD       LYS   6  -7.758  -2.862  -6.129
   51   2HD   LYS   6          1HD       LYS   6  -7.897  -1.548  -7.263
   52   1HE   LYS   6          2HE       LYS   6  -9.502  -3.210  -7.944
   53   2HE   LYS   6          1HE       LYS   6  -8.206  -3.260  -9.124
   54   1HZ   LYS   6          1HZ       LYS   6  -7.616  -5.041  -7.036
   55   2HZ   LYS   6          2HZ       LYS   6  -7.911  -5.372  -8.677
   56   3HZ   LYS   6          3HZ       LYS   6  -9.197  -5.329  -7.569
   57    H    THR   7           H        THR   7  -4.819  -5.437  -3.653
   58    HA   THR   7           HA       THR   7  -4.392  -8.216  -4.621
   59    HB   THR   7           HB       THR   7  -2.353  -6.695  -2.893
   60    HG1  THR   7           HG1      THR   7  -1.609  -7.438  -5.373
   61   1HG2  THR   7          1HG2      THR   7  -2.213  -9.297  -4.540
   62   2HG2  THR   7          2HG2      THR   7  -2.362  -9.291  -2.788
   63   3HG2  THR   7          3HG2      THR   7  -0.920  -8.638  -3.558
   64    H    CYS   8           H        CYS   8  -4.641  -6.031  -1.828
   65    HA   CYS   8           HA       CYS   8  -5.800  -8.316  -0.255
   66   1HB   CYS   8          1HB       CYS   8  -4.932  -7.238   1.748
   67   2HB   CYS   8          2HB       CYS   8  -3.625  -7.517   0.594
   68    H    GLN   9           H        GLN   9  -5.842  -4.966  -0.913
   69    HA   GLN   9           HA       GLN   9  -7.623  -3.503  -1.316
   70   1HB   GLN   9          1HB       GLN   9  -9.408  -5.557   0.169
   71   2HB   GLN   9          2HB       GLN   9  -9.927  -3.976  -0.305
   72   1HG   GLN   9          2HG       GLN   9 -10.571  -5.579  -2.032
   73   2HG   GLN   9          1HG       GLN   9  -9.448  -4.395  -2.669
   74   1HE2  GLN   9          2HE2      GLN   9  -7.408  -5.136  -3.431
   75   2HE2  GLN   9          1HE2      GLN   9  -7.004  -6.783  -3.531
   76    H    ARG  10           H        ARG  10  -5.774  -2.954   0.193
   77    HA   ARG  10           HA       ARG  10  -6.796  -1.907   2.818
   78   1HB   ARG  10          1HB       ARG  10  -4.638  -3.267   2.946
   79   2HB   ARG  10          2HB       ARG  10  -3.908  -2.184   1.771
   80   1HG   ARG  10          2HG       ARG  10  -4.245  -0.262   3.328
   81   2HG   ARG  10          1HG       ARG  10  -5.004  -1.331   4.496
   82   1HD   ARG  10          2HD       ARG  10  -2.865  -2.572   4.717
   83   2HD   ARG  10          1HD       ARG  10  -2.123  -1.513   3.512
   84    HE   ARG  10           HE       ARG  10  -3.202  -0.535   6.130
   85   1HH1  ARG  10          1HH1      ARG  10  -2.598   1.591   4.116
   86   2HH1  ARG  10          2HH1      ARG  10  -0.970   1.985   4.519
   87   1HH2  ARG  10          2HH2      ARG  10  -0.399  -0.933   6.334
   88   2HH2  ARG  10          1HH2      ARG  10   0.304   0.541   5.756
   89    H    LYS  11           H        LYS  11  -6.265   0.437   3.090
   90    HA   LYS  11           HA       LYS  11  -6.163   1.721   0.405
   91   1HB   LYS  11          1HB       LYS  11  -7.330   3.683   1.658
   92   2HB   LYS  11          2HB       LYS  11  -8.269   2.244   1.367
   93   1HG   LYS  11          2HG       LYS  11  -8.667   3.071   3.643
   94   2HG   LYS  11          1HG       LYS  11  -7.907   1.497   3.714
   95   1HD   LYS  11          2HD       LYS  11  -5.749   2.508   4.260
   96   2HD   LYS  11          1HD       LYS  11  -6.376   4.129   3.992
   97   1HE   LYS  11          2HE       LYS  11  -7.946   3.727   5.938
   98   2HE   LYS  11          1HE       LYS  11  -7.226   2.132   6.140
   99   1HZ   LYS  11          1HZ       LYS  11  -5.158   3.996   6.015
  100   2HZ   LYS  11          2HZ       LYS  11  -5.638   3.033   7.327
  101   3HZ   LYS  11          3HZ       LYS  11  -6.310   4.579   7.116
  102    H    PHE  12           H        PHE  12  -5.403   3.950   0.381
  103    HA   PHE  12           HA       PHE  12  -3.220   4.637   2.242
  104   1HB   PHE  12          1HB       PHE  12  -2.842   4.223  -0.791
  105   2HB   PHE  12          2HB       PHE  12  -1.620   4.861   0.289
  106    HD1  PHE  12           HD1      PHE  12  -0.622   3.409   2.045
  107    HD2  PHE  12           HD2      PHE  12  -3.486   1.831  -0.706
  108    HE1  PHE  12           HE1      PHE  12  -0.052   1.128   2.732
  109    HE2  PHE  12           HE2      PHE  12  -2.896  -0.441  -0.005
  110    HZ   PHE  12           HZ       PHE  12  -1.208  -0.780   1.723
  111    H    SER  13           H        SER  13  -2.270   6.791   1.371
  112    HA   SER  13           HA       SER  13  -4.581   8.598   0.799
  113   1HB   SER  13          2HB       SER  13  -3.145  10.360   1.839
  114   2HB   SER  13          1HB       SER  13  -3.322   9.009   2.942
  115    HG   SER  13           HG       SER  13  -1.239   8.739   2.783
  116    H    ARG  14           H        ARG  14  -1.395   7.648  -0.100
  117    HA   ARG  14           HA       ARG  14  -1.523   9.279  -2.604
  118   1HB   ARG  14          1HB       ARG  14   0.850   8.471  -0.892
  119   2HB   ARG  14          2HB       ARG  14   0.954   9.324  -2.427
  120   1HG   ARG  14          2HG       ARG  14   0.104  11.284  -1.648
  121   2HG   ARG  14          1HG       ARG  14  -0.845  10.552  -0.373
  122   1HD   ARG  14          2HD       ARG  14   1.099  10.105   0.936
  123   2HD   ARG  14          1HD       ARG  14   2.209  10.656  -0.305
  124    HE   ARG  14           HE       ARG  14   1.051  12.915  -0.031
  125   1HH1  ARG  14          1HH1      ARG  14  -0.469  10.931   2.204
  126   2HH1  ARG  14          2HH1      ARG  14  -0.107  11.930   3.561
  127   1HH2  ARG  14          2HH2      ARG  14   2.127  13.966   1.847
  128   2HH2  ARG  14          1HH2      ARG  14   1.372  13.657   3.375
  129    H    SER  15           H        SER  15   0.358   8.333  -4.044
  130    HA   SER  15           HA       SER  15  -0.486   5.583  -4.776
  131   1HB   SER  15          2HB       SER  15   0.716   6.159  -6.951
  132   2HB   SER  15          1HB       SER  15  -0.576   7.270  -6.582
  133    HG   SER  15           HG       SER  15   1.562   8.107  -5.255
  134    H    ASP  16           H        ASP  16   2.298   7.486  -3.797
  135    HA   ASP  16           HA       ASP  16   4.244   5.386  -4.244
  136   1HB   ASP  16          1HB       ASP  16   5.713   6.805  -2.722
  137   2HB   ASP  16          2HB       ASP  16   5.027   7.733  -4.053
  138    H    HIS  17           H        HIS  17   2.124   6.457  -1.691
  139    HA   HIS  17           HA       HIS  17   3.099   4.748   0.380
  140   1HB   HIS  17          1HB       HIS  17   0.421   6.133  -0.117
  141   2HB   HIS  17          2HB       HIS  17   0.628   5.110   1.288
  142    HD1  HIS  17           HD1      HIS  17   0.130   7.762   2.190
  143    HD2  HIS  17           HD2      HIS  17   3.932   6.881   1.002
  144    HE1  HIS  17           HE1      HIS  17   1.584   9.422   3.240
  145    H    LEU  18           H        LEU  18   1.445   4.049  -2.434
  146    HA   LEU  18           HA       LEU  18   0.311   1.505  -1.415
  147   1HB   LEU  18          1HB       LEU  18  -1.172   2.941  -2.754
  148   2HB   LEU  18          2HB       LEU  18   0.001   2.978  -4.064
  149    HG   LEU  18           HG       LEU  18  -0.254   0.437  -4.227
  150   1HD1  LEU  18          1HD1      LEU  18  -2.629   0.904  -2.429
  151   2HD1  LEU  18          2HD1      LEU  18  -1.157   0.048  -1.975
  152   3HD1  LEU  18          3HD1      LEU  18  -2.179  -0.586  -3.236
  153   1HD2  LEU  18          1HD2      LEU  18  -1.408   2.019  -5.786
  154   2HD2  LEU  18          2HD2      LEU  18  -2.743   2.155  -4.650
  155   3HD2  LEU  18          3HD2      LEU  18  -2.418   0.625  -5.446
  156    H    LYS  19           H        LYS  19   2.383   2.690  -4.077
  157    HA   LYS  19           HA       LYS  19   3.177   0.140  -5.000
  158   1HB   LYS  19          1HB       LYS  19   4.352   2.933  -5.163
  159   2HB   LYS  19          2HB       LYS  19   5.377   1.609  -5.668
  160   1HG   LYS  19          2HG       LYS  19   4.185   2.417  -7.623
  161   2HG   LYS  19          1HG       LYS  19   3.588   0.819  -7.239
  162   1HD   LYS  19          2HD       LYS  19   1.640   2.062  -5.973
  163   2HD   LYS  19          1HD       LYS  19   2.212   3.502  -6.792
  164   1HE   LYS  19          2HE       LYS  19   1.276   0.929  -8.139
  165   2HE   LYS  19          1HE       LYS  19   0.381   2.439  -8.062
  166   1HZ   LYS  19          1HZ       LYS  19   2.278   1.643  -9.932
  167   2HZ   LYS  19          2HZ       LYS  19   2.913   2.982  -9.104
  168   3HZ   LYS  19          3HZ       LYS  19   1.402   3.096  -9.871
  169    H    THR  20           H        THR  20   4.399   1.962  -2.296
  170    HA   THR  20           HA       THR  20   6.692   0.237  -1.840
  171    HB   THR  20           HB       THR  20   5.242   2.177   0.076
  172    HG1  THR  20           HG1      THR  20   5.883   3.325  -1.557
  173   1HG2  THR  20          1HG2      THR  20   8.178   1.272  -0.069
  174   2HG2  THR  20          2HG2      THR  20   7.049   0.608   1.104
  175   3HG2  THR  20          3HG2      THR  20   7.469   2.312   1.157
  176    H    HIS  21           H        HIS  21   3.406   0.547  -0.667
  177    HA   HIS  21           HA       HIS  21   3.396  -1.450   1.333
  178   1HB   HIS  21          1HB       HIS  21   1.491  -0.087   1.274
  179   2HB   HIS  21          2HB       HIS  21   1.225  -0.292  -0.440
  180    HD1  HIS  21           HD1      HIS  21   0.927  -2.311   2.717
  181    HD2  HIS  21           HD2      HIS  21  -0.413  -2.412  -1.151
  182    HE1  HIS  21           HE1      HIS  21  -0.722  -4.152   2.583
  183    H    THR  22           H        THR  22   2.280  -1.853  -1.985
  184    HA   THR  22           HA       THR  22   1.536  -4.436  -2.183
  185    HB   THR  22           HB       THR  22   2.380  -4.087  -4.650
  186    HG1  THR  22           HG1      THR  22   2.854  -1.542  -3.587
  187   1HG2  THR  22          1HG2      THR  22   0.706  -1.851  -3.367
  188   2HG2  THR  22          2HG2      THR  22   0.054  -3.392  -3.892
  189   3HG2  THR  22          3HG2      THR  22   0.720  -2.278  -5.071
  190    H    ARG  23           H        ARG  23   4.752  -3.329  -1.780
  191    HA   ARG  23           HA       ARG  23   6.028  -5.654  -2.810
  192   1HB   ARG  23          1HB       ARG  23   7.064  -3.628  -0.776
  193   2HB   ARG  23          2HB       ARG  23   8.063  -4.790  -1.623
  194   1HG   ARG  23          2HG       ARG  23   7.528  -3.754  -3.797
  195   2HG   ARG  23          1HG       ARG  23   6.438  -2.620  -3.016
  196   1HD   ARG  23          2HD       ARG  23   8.350  -1.743  -1.667
  197   2HD   ARG  23          1HD       ARG  23   9.436  -2.857  -2.490
  198    HE   ARG  23           HE       ARG  23   8.872  -1.642  -4.620
  199   1HH1  ARG  23          2HH2      ARG  23  10.135  -0.002  -2.237
  200   2HH1  ARG  23          1HH2      ARG  23   9.340   1.518  -2.484
  201   1HH2  ARG  23          1HH1      ARG  23   7.001   0.183  -4.707
  202   2HH2  ARG  23          2HH1      ARG  23   7.517   1.613  -3.877
  203    H    THR  24           H        THR  24   3.934  -5.678  -0.442
  204    HA   THR  24           HA       THR  24   5.416  -7.472   1.421
  205    HB   THR  24           HB       THR  24   4.222  -5.401   2.390
  206    HG1  THR  24           HG1      THR  24   4.138  -7.999   3.063
  207   1HG2  THR  24          1HG2      THR  24   1.713  -7.065   1.748
  208   2HG2  THR  24          2HG2      THR  24   2.103  -5.600   0.870
  209   3HG2  THR  24          3HG2      THR  24   1.753  -5.525   2.587
  210    H    HIS  25           H        HIS  25   3.518  -7.577  -1.260
  211    HA   HIS  25           HA       HIS  25   2.138 -10.120  -0.518
  212   1HB   HIS  25          1HB       HIS  25   1.671  -8.242  -2.881
  213   2HB   HIS  25          2HB       HIS  25   0.778  -9.720  -2.568
  214    HD1  HIS  25           HD1      HIS  25   0.076  -9.384   0.343
  215    HD2  HIS  25           HD2      HIS  25  -0.078  -6.247  -2.270
  216    HE1  HIS  25           HE1      HIS  25  -1.473  -7.736   1.328
  217    H    THR  26           H        THR  26   3.837  -8.509  -3.152
  218    HA   THR  26           HA       THR  26   5.121 -11.128  -3.862
  219    HB   THR  26           HB       THR  26   4.249  -8.958  -5.895
  220    HG1  THR  26           HG1      THR  26   2.914 -10.906  -4.559
  221   1HG2  THR  26          1HG2      THR  26   4.981 -11.935  -6.222
  222   2HG2  THR  26          2HG2      THR  26   6.094 -10.651  -6.637
  223   3HG2  THR  26          3HG2      THR  26   4.590 -10.814  -7.515
  224    H    GLY  27           H        GLY  27   6.168  -9.541  -2.050
  225   1HA   GLY  27          1HA       GLY  27   8.631  -8.528  -3.344
  226   2HA   GLY  27          2HA       GLY  27   7.795  -7.454  -2.244
  227    H    GLU  28           H        GLU  28   6.971  -9.410  -0.355
  228    HA   GLU  28           HA       GLU  28   9.555 -10.086   0.923
  229   1HB   GLU  28          1HB       GLU  28   6.827  -9.298   1.883
  230   2HB   GLU  28          2HB       GLU  28   7.651 -10.488   2.853
  231   1HG   GLU  28          2HG       GLU  28   8.259  -8.324   3.756
  232   2HG   GLU  28          1HG       GLU  28   9.677  -8.892   2.902
  233    H    LYS  29           H        LYS  29   6.361 -11.359   0.586
  234    HA   LYS  29           HA       LYS  29   5.873 -13.711   1.317
  235   1HB   LYS  29          1HB       LYS  29   5.458 -14.627  -1.067
  236   2HB   LYS  29          2HB       LYS  29   4.681 -13.138  -0.601
  237   1HG   LYS  29          2HG       LYS  29   5.613 -12.983  -2.875
  238   2HG   LYS  29          1HG       LYS  29   6.382 -11.821  -1.818
  239   1HD   LYS  29          2HD       LYS  29   8.362 -13.280  -1.610
  240   2HD   LYS  29          1HD       LYS  29   7.583 -14.523  -2.575
  241   1HE   LYS  29          2HE       LYS  29   7.495 -12.930  -4.499
  242   2HE   LYS  29          1HE       LYS  29   8.285 -11.702  -3.518
  243   1HZ   LYS  29          1HZ       LYS  29   9.772 -14.067  -3.362
  244   2HZ   LYS  29          2HZ       LYS  29  10.219 -12.573  -4.033
  245   3HZ   LYS  29          3HZ       LYS  29   9.453 -13.744  -4.996
  Start of MODEL   18
    1   1H    LYS   1          1H        LYS   1  -6.493  11.681  -2.002
    2   2H    LYS   1          2H        LYS   1  -7.782  12.584  -2.638
    3   3H    LYS   1          3H        LYS   1  -6.198  12.872  -3.176
    4    HA   LYS   1           HA       LYS   1  -8.094  11.080  -4.200
    5   1HB   LYS   1          2HB       LYS   1  -5.169  11.646  -4.895
    6   2HB   LYS   1          1HB       LYS   1  -6.265  10.744  -5.922
    7   1HG   LYS   1          2HG       LYS   1  -7.785  12.736  -6.031
    8   2HG   LYS   1          1HG       LYS   1  -6.651  13.641  -5.043
    9   1HD   LYS   1          2HD       LYS   1  -4.882  13.342  -6.771
   10   2HD   LYS   1          1HD       LYS   1  -5.997  12.419  -7.762
   11   1HE   LYS   1          2HE       LYS   1  -6.438  15.320  -6.923
   12   2HE   LYS   1          1HE       LYS   1  -5.836  14.807  -8.491
   13   1HZ   LYS   1          1HZ       LYS   1  -8.163  13.371  -7.962
   14   2HZ   LYS   1          2HZ       LYS   1  -7.893  14.542  -9.159
   15   3HZ   LYS   1          3HZ       LYS   1  -8.482  15.006  -7.636
   16    HA   PRO   2           HA       PRO   2  -6.368   7.793  -1.301
   17   1HB   PRO   2          1HB       PRO   2  -9.210   6.989  -1.912
   18   2HB   PRO   2          2HB       PRO   2  -8.274   6.785  -0.425
   19   1HG   PRO   2          2HG       PRO   2  -9.975   8.829  -0.511
   20   2HG   PRO   2          1HG       PRO   2  -8.333   9.181   0.046
   21   1HD   PRO   2          1HD       PRO   2  -9.483   9.584  -2.769
   22   2HD   PRO   2          2HD       PRO   2  -8.568  10.738  -1.773
   23    H    PHE   3           H        PHE   3  -5.914   5.744  -1.636
   24    HA   PHE   3           HA       PHE   3  -6.109   4.612  -4.400
   25   1HB   PHE   3          1HB       PHE   3  -3.721   4.799  -2.521
   26   2HB   PHE   3          2HB       PHE   3  -3.757   3.630  -3.828
   27    HD1  PHE   3           HD1      PHE   3  -3.353   4.334  -6.098
   28    HD2  PHE   3           HD2      PHE   3  -3.851   7.243  -3.031
   29    HE1  PHE   3           HE1      PHE   3  -2.579   6.088  -7.634
   30    HE2  PHE   3           HE2      PHE   3  -3.088   8.996  -4.574
   31    HZ   PHE   3           HZ       PHE   3  -2.454   8.423  -6.875
   32    H    GLN   4           H        GLN   4  -6.161   2.341  -4.442
   33    HA   GLN   4           HA       GLN   4  -6.696   0.988  -1.832
   34   1HB   GLN   4          1HB       GLN   4  -8.853   1.503  -3.049
   35   2HB   GLN   4          2HB       GLN   4  -8.263   0.610  -4.438
   36   1HG   GLN   4          2HG       GLN   4  -9.672  -0.906  -3.322
   37   2HG   GLN   4          1HG       GLN   4  -8.047  -1.442  -2.930
   38   1HE2  GLN   4          2HE2      GLN   4  -7.787  -1.894  -0.755
   39   2HE2  GLN   4          1HE2      GLN   4  -8.664  -1.177   0.509
   40    H    CYS   5           H        CYS   5  -5.813  -0.985  -1.648
   41    HA   CYS   5           HA       CYS   5  -3.924  -1.888  -3.753
   42   1HB   CYS   5          1HB       CYS   5  -3.160  -1.869  -1.433
   43   2HB   CYS   5          2HB       CYS   5  -4.471  -2.932  -0.962
   44    H    LYS   6           H        LYS   6  -5.188  -2.906  -5.311
   45    HA   LYS   6           HA       LYS   6  -7.532  -4.512  -4.478
   46   1HB   LYS   6          1HB       LYS   6  -7.915  -4.687  -6.951
   47   2HB   LYS   6          2HB       LYS   6  -7.853  -3.039  -6.369
   48   1HG   LYS   6          2HG       LYS   6  -5.491  -2.832  -7.177
   49   2HG   LYS   6          1HG       LYS   6  -5.560  -4.480  -7.783
   50   1HD   LYS   6          2HD       LYS   6  -7.377  -3.900  -9.312
   51   2HD   LYS   6          1HD       LYS   6  -7.503  -2.285  -8.633
   52   1HE   LYS   6          2HE       LYS   6  -5.164  -1.814  -9.400
   53   2HE   LYS   6          1HE       LYS   6  -5.101  -3.417 -10.123
   54   1HZ   LYS   6          1HZ       LYS   6  -7.439  -2.152 -10.982
   55   2HZ   LYS   6          2HZ       LYS   6  -6.087  -2.614 -11.901
   56   3HZ   LYS   6          3HZ       LYS   6  -6.150  -1.069 -11.195
   57    H    THR   7           H        THR   7  -5.174  -5.322  -3.528
   58    HA   THR   7           HA       THR   7  -4.650  -7.901  -4.875
   59    HB   THR   7           HB       THR   7  -2.614  -6.323  -3.175
   60    HG1  THR   7           HG1      THR   7  -3.542  -5.954  -5.678
   61   1HG2  THR   7          1HG2      THR   7  -2.300  -8.547  -5.274
   62   2HG2  THR   7          2HG2      THR   7  -2.214  -8.843  -3.546
   63   3HG2  THR   7          3HG2      THR   7  -1.010  -7.829  -4.327
   64    H    CYS   8           H        CYS   8  -4.844  -5.982  -1.876
   65    HA   CYS   8           HA       CYS   8  -5.639  -8.485  -0.406
   66   1HB   CYS   8          1HB       CYS   8  -4.573  -7.668   1.578
   67   2HB   CYS   8          2HB       CYS   8  -3.401  -7.551   0.266
   68    H    GLN   9           H        GLN   9  -5.974  -5.118  -0.837
   69    HA   GLN   9           HA       GLN   9  -7.899  -3.786  -0.920
   70   1HB   GLN   9          1HB       GLN   9  -9.267  -5.946   0.786
   71   2HB   GLN   9          2HB       GLN   9  -9.965  -4.418   0.393
   72   1HG   GLN   9          2HG       GLN   9 -10.748  -6.021  -1.240
   73   2HG   GLN   9          1HG       GLN   9  -9.749  -4.823  -2.032
   74   1HE2  GLN   9          2HE2      GLN   9  -7.734  -5.529  -2.967
   75   2HE2  GLN   9          1HE2      GLN   9  -7.362  -7.176  -3.145
   76    H    ARG  10           H        ARG  10  -6.062  -2.878   0.158
   77    HA   ARG  10           HA       ARG  10  -6.713  -1.896   2.913
   78   1HB   ARG  10          1HB       ARG  10  -4.640  -3.334   2.830
   79   2HB   ARG  10          2HB       ARG  10  -3.976  -2.262   1.600
   80   1HG   ARG  10          2HG       ARG  10  -3.919  -0.395   3.170
   81   2HG   ARG  10          1HG       ARG  10  -4.805  -1.313   4.373
   82   1HD   ARG  10          2HD       ARG  10  -2.965  -2.865   4.665
   83   2HD   ARG  10          1HD       ARG  10  -2.078  -2.179   3.319
   84    HE   ARG  10           HE       ARG  10  -1.942  -0.051   4.672
   85   1HH1  ARG  10          1HH1      ARG  10  -3.852  -1.752   6.630
   86   2HH1  ARG  10          2HH1      ARG  10  -2.783  -1.837   7.991
   87   1HH2  ARG  10          2HH2      ARG  10  -0.023  -0.710   6.150
   88   2HH2  ARG  10          1HH2      ARG  10  -0.558  -1.241   7.712
   89    H    LYS  11           H        LYS  11  -6.303   0.461   3.102
   90    HA   LYS  11           HA       LYS  11  -6.315   1.764   0.405
   91   1HB   LYS  11          1HB       LYS  11  -7.546   2.688   3.033
   92   2HB   LYS  11          2HB       LYS  11  -7.559   3.644   1.565
   93   1HG   LYS  11          2HG       LYS  11  -8.822   1.931   0.392
   94   2HG   LYS  11          1HG       LYS  11  -8.743   0.846   1.770
   95   1HD   LYS  11          2HD       LYS  11  -9.982   2.627   3.121
   96   2HD   LYS  11          1HD       LYS  11 -10.152   3.553   1.640
   97   1HE   LYS  11          2HE       LYS  11 -12.185   2.216   2.065
   98   2HE   LYS  11          1HE       LYS  11 -11.403   1.660   0.595
   99   1HZ   LYS  11          1HZ       LYS  11 -10.333   0.264   2.780
  100   2HZ   LYS  11          2HZ       LYS  11 -11.233  -0.339   1.474
  101   3HZ   LYS  11          3HZ       LYS  11 -12.026   0.199   2.876
  102    H    PHE  12           H        PHE  12  -5.396   3.792   0.155
  103    HA   PHE  12           HA       PHE  12  -3.369   4.700   2.115
  104   1HB   PHE  12          1HB       PHE  12  -2.803   4.007  -0.825
  105   2HB   PHE  12          2HB       PHE  12  -1.644   4.756   0.253
  106    HD1  PHE  12           HD1      PHE  12  -0.943   3.500   2.364
  107    HD2  PHE  12           HD2      PHE  12  -3.230   1.657  -0.728
  108    HE1  PHE  12           HE1      PHE  12  -0.391   1.285   3.268
  109    HE2  PHE  12           HE2      PHE  12  -2.683  -0.553   0.187
  110    HZ   PHE  12           HZ       PHE  12  -1.258  -0.730   2.183
  111    H    SER  13           H        SER  13  -2.311   6.732   1.005
  112    HA   SER  13           HA       SER  13  -4.563   8.507   0.158
  113   1HB   SER  13          2HB       SER  13  -3.112  10.338   1.146
  114   2HB   SER  13          1HB       SER  13  -3.551   9.121   2.327
  115    HG   SER  13           HG       SER  13  -1.515   8.639   2.486
  116    H    ARG  14           H        ARG  14  -1.259   7.609  -0.450
  117    HA   ARG  14           HA       ARG  14  -1.314   9.025  -3.085
  118   1HB   ARG  14          1HB       ARG  14   0.990   8.487  -1.190
  119   2HB   ARG  14          2HB       ARG  14   1.196   9.036  -2.845
  120   1HG   ARG  14          2HG       ARG  14   0.071  11.100  -2.436
  121   2HG   ARG  14          1HG       ARG  14  -0.484  10.571  -0.855
  122   1HD   ARG  14          2HD       ARG  14   1.748  10.599   0.042
  123   2HD   ARG  14          1HD       ARG  14   2.497  10.781  -1.529
  124    HE   ARG  14           HE       ARG  14   1.448  13.080  -1.584
  125   1HH1  ARG  14          2HH2      ARG  14   3.499  12.792   0.647
  126   2HH1  ARG  14          1HH2      ARG  14   2.668  13.539   1.969
  127   1HH2  ARG  14          1HH1      ARG  14  -0.439  13.398   0.364
  128   2HH2  ARG  14          2HH1      ARG  14   0.382  13.898   1.806
  129    H    SER  15           H        SER  15   0.491   8.123  -4.473
  130    HA   SER  15           HA       SER  15  -0.075   5.249  -4.921
  131   1HB   SER  15          2HB       SER  15   0.811   5.722  -7.212
  132   2HB   SER  15          1HB       SER  15  -0.360   6.942  -6.783
  133    HG   SER  15           HG       SER  15   2.238   7.265  -7.274
  134    H    ASP  16           H        ASP  16   2.437   7.499  -4.035
  135    HA   ASP  16           HA       ASP  16   4.614   5.544  -4.278
  136   1HB   ASP  16          1HB       ASP  16   5.997   7.405  -3.233
  137   2HB   ASP  16          2HB       ASP  16   5.152   7.928  -4.681
  138    H    HIS  17           H        HIS  17   2.133   5.513  -2.461
  139    HA   HIS  17           HA       HIS  17   3.433   4.794   0.110
  140   1HB   HIS  17          1HB       HIS  17   0.610   5.807  -0.586
  141   2HB   HIS  17          2HB       HIS  17   0.951   5.039   0.956
  142    HD1  HIS  17           HD1      HIS  17   0.178   7.726   1.531
  143    HD2  HIS  17           HD2      HIS  17   4.013   7.132   0.239
  144    HE1  HIS  17           HE1      HIS  17   1.454   9.677   2.236
  145    H    LEU  18           H        LEU  18   0.706   4.154  -2.063
  146    HA   LEU  18           HA       LEU  18   0.101   1.524  -1.390
  147   1HB   LEU  18          1HB       LEU  18  -1.138   2.907  -3.088
  148   2HB   LEU  18          2HB       LEU  18   0.206   2.733  -4.212
  149    HG   LEU  18           HG       LEU  18  -0.174   0.196  -4.099
  150   1HD1  LEU  18          1HD1      LEU  18  -2.734   1.019  -2.699
  151   2HD1  LEU  18          2HD1      LEU  18  -1.402   0.140  -1.952
  152   3HD1  LEU  18          3HD1      LEU  18  -2.316  -0.595  -3.249
  153   1HD2  LEU  18          1HD2      LEU  18  -1.047   1.592  -5.973
  154   2HD2  LEU  18          2HD2      LEU  18  -2.514   1.908  -5.061
  155   3HD2  LEU  18          3HD2      LEU  18  -2.144   0.276  -5.598
  156    H    LYS  19           H        LYS  19   2.622   2.695  -3.641
  157    HA   LYS  19           HA       LYS  19   3.705   0.241  -4.457
  158   1HB   LYS  19          1HB       LYS  19   4.459   2.496  -5.307
  159   2HB   LYS  19          2HB       LYS  19   5.179   2.847  -3.749
  160   1HG   LYS  19          2HG       LYS  19   6.603   0.655  -4.173
  161   2HG   LYS  19          1HG       LYS  19   6.081   0.826  -5.838
  162   1HD   LYS  19          2HD       LYS  19   7.541   2.944  -4.205
  163   2HD   LYS  19          1HD       LYS  19   8.279   1.919  -5.418
  164   1HE   LYS  19          2HE       LYS  19   6.832   2.930  -7.170
  165   2HE   LYS  19          1HE       LYS  19   6.071   3.954  -5.961
  166   1HZ   LYS  19          1HZ       LYS  19   8.433   4.402  -7.352
  167   2HZ   LYS  19          2HZ       LYS  19   8.839   4.211  -5.715
  168   3HZ   LYS  19          3HZ       LYS  19   7.700   5.381  -6.170
  169    H    THR  20           H        THR  20   5.053   2.201  -1.809
  170    HA   THR  20           HA       THR  20   6.807   0.424  -0.681
  171    HB   THR  20           HB       THR  20   4.837   2.232   0.885
  172    HG1  THR  20           HG1      THR  20   7.330   3.115   0.499
  173   1HG2  THR  20          1HG2      THR  20   7.693   1.300   1.578
  174   2HG2  THR  20          2HG2      THR  20   6.264   0.621   2.345
  175   3HG2  THR  20          3HG2      THR  20   6.663   2.314   2.577
  176    H    HIS  21           H        HIS  21   3.383   0.481  -0.122
  177    HA   HIS  21           HA       HIS  21   3.211  -1.697   1.708
  178   1HB   HIS  21          1HB       HIS  21   1.346  -0.243   1.634
  179   2HB   HIS  21          2HB       HIS  21   1.161  -0.350  -0.104
  180    HD1  HIS  21           HD1      HIS  21   0.890  -2.601   2.877
  181    HD2  HIS  21           HD2      HIS  21  -0.587  -2.383  -0.953
  182    HE1  HIS  21           HE1      HIS  21  -0.729  -4.448   2.644
  183    H    THR  22           H        THR  22   2.432  -1.797  -1.784
  184    HA   THR  22           HA       THR  22   1.705  -4.400  -2.091
  185    HB   THR  22           HB       THR  22   2.581  -3.960  -4.508
  186    HG1  THR  22           HG1      THR  22   2.983  -1.410  -3.532
  187   1HG2  THR  22          1HG2      THR  22   0.871  -1.775  -3.217
  188   2HG2  THR  22          2HG2      THR  22   0.240  -3.298  -3.799
  189   3HG2  THR  22          3HG2      THR  22   0.937  -2.154  -4.928
  190    H    ARG  23           H        ARG  23   4.878  -3.386  -1.246
  191    HA   ARG  23           HA       ARG  23   6.160  -5.643  -2.480
  192   1HB   ARG  23          1HB       ARG  23   7.050  -3.645  -0.369
  193   2HB   ARG  23          2HB       ARG  23   8.067  -5.017  -0.736
  194   1HG   ARG  23          2HG       ARG  23   8.835  -3.157  -2.055
  195   2HG   ARG  23          1HG       ARG  23   8.126  -4.338  -3.135
  196   1HD   ARG  23          2HD       ARG  23   6.038  -2.994  -3.255
  197   2HD   ARG  23          1HD       ARG  23   6.737  -1.857  -2.093
  198    HE   ARG  23           HE       ARG  23   8.428  -1.270  -3.777
  199   1HH1  ARG  23          1HH1      ARG  23   5.251  -1.980  -4.834
  200   2HH1  ARG  23          2HH1      ARG  23   5.704  -2.006  -6.493
  201   1HH2  ARG  23          2HH2      ARG  23   9.113  -1.822  -5.920
  202   2HH2  ARG  23          1HH2      ARG  23   7.872  -1.923  -7.124
  203    H    THR  24           H        THR  24   3.873  -6.077  -0.644
  204    HA   THR  24           HA       THR  24   4.980  -8.051   1.294
  205    HB   THR  24           HB       THR  24   2.671  -7.741   2.431
  206    HG1  THR  24           HG1      THR  24   2.397  -6.345   0.132
  207   1HG2  THR  24          1HG2      THR  24   4.249  -5.128   2.074
  208   2HG2  THR  24          2HG2      THR  24   4.668  -6.373   3.230
  209   3HG2  THR  24          3HG2      THR  24   3.150  -5.509   3.392
  210    H    HIS  25           H        HIS  25   3.312  -7.491  -1.554
  211    HA   HIS  25           HA       HIS  25   2.078 -10.204  -1.672
  212   1HB   HIS  25          1HB       HIS  25   1.524  -7.782  -3.458
  213   2HB   HIS  25          2HB       HIS  25   0.608  -9.279  -3.403
  214    HD1  HIS  25           HD1      HIS  25   0.185  -9.451  -0.367
  215    HD2  HIS  25           HD2      HIS  25  -0.304  -5.967  -2.457
  216    HE1  HIS  25           HE1      HIS  25  -1.312  -8.032   0.985
  217    H    THR  26           H        THR  26   3.910  -7.713  -3.321
  218    HA   THR  26           HA       THR  26   5.175  -9.722  -5.132
  219    HB   THR  26           HB       THR  26   4.862  -6.675  -5.544
  220    HG1  THR  26           HG1      THR  26   2.945  -7.258  -6.107
  221   1HG2  THR  26          1HG2      THR  26   5.450  -8.971  -7.511
  222   2HG2  THR  26          2HG2      THR  26   6.706  -7.892  -6.926
  223   3HG2  THR  26          3HG2      THR  26   5.391  -7.259  -7.902
  224    H    GLY  27           H        GLY  27   6.193  -9.937  -2.882
  225   1HA   GLY  27          1HA       GLY  27   8.601  -8.161  -2.631
  226   2HA   GLY  27          2HA       GLY  27   7.864  -9.043  -1.290
  227    H    GLU  28           H        GLU  28   8.818  -9.844  -4.581
  228    HA   GLU  28           HA       GLU  28  10.398 -12.188  -3.575
  229   1HB   GLU  28          1HB       GLU  28   8.287 -12.738  -4.866
  230   2HB   GLU  28          2HB       GLU  28   8.946 -11.866  -6.237
  231   1HG   GLU  28          2HG       GLU  28  10.837 -13.448  -6.390
  232   2HG   GLU  28          1HG       GLU  28  10.292 -14.279  -4.939
  233    H    LYS  29           H        LYS  29  12.290 -12.676  -4.767
  234    HA   LYS  29           HA       LYS  29  13.437 -10.424  -6.369
  235   1HB   LYS  29          1HB       LYS  29  14.839 -12.129  -4.263
  236   2HB   LYS  29          2HB       LYS  29  15.644 -10.921  -5.221
  237   1HG   LYS  29          2HG       LYS  29  13.381 -10.429  -3.224
  238   2HG   LYS  29          1HG       LYS  29  15.064 -10.085  -2.939
  239   1HD   LYS  29          2HD       LYS  29  13.330  -8.673  -5.027
  240   2HD   LYS  29          1HD       LYS  29  13.774  -8.036  -3.467
  241   1HE   LYS  29          2HE       LYS  29  15.283  -7.030  -5.032
  242   2HE   LYS  29          1HE       LYS  29  16.220  -8.238  -4.170
  243   1HZ   LYS  29          1HZ       LYS  29  15.046  -9.446  -6.406
  244   2HZ   LYS  29          2HZ       LYS  29  16.691  -9.192  -6.071
  245   3HZ   LYS  29          3HZ       LYS  29  15.799  -8.012  -6.904
  Start of MODEL   19
    1   1H    LYS   1          1H        LYS   1  -7.671  11.627  -2.408
    2   2H    LYS   1          2H        LYS   1  -9.218  11.955  -3.028
    3   3H    LYS   1          3H        LYS   1  -7.844  12.614  -3.780
    4    HA   LYS   1           HA       LYS   1  -9.121  10.178  -4.282
    5   1HB   LYS   1          2HB       LYS   1  -6.608  11.522  -5.375
    6   2HB   LYS   1          1HB       LYS   1  -7.341  10.117  -6.121
    7   1HG   LYS   1          2HG       LYS   1  -8.875  12.706  -5.620
    8   2HG   LYS   1          1HG       LYS   1  -8.015  12.393  -7.109
    9   1HD   LYS   1          2HD       LYS   1  -9.400  10.387  -7.534
   10   2HD   LYS   1          1HD       LYS   1 -10.228  10.577  -6.003
   11   1HE   LYS   1          2HE       LYS   1 -11.608  11.486  -7.831
   12   2HE   LYS   1          1HE       LYS   1 -11.130  12.774  -6.740
   13   1HZ   LYS   1          1HZ       LYS   1  -9.169  12.509  -8.727
   14   2HZ   LYS   1          2HZ       LYS   1 -10.205  13.819  -8.417
   15   3HZ   LYS   1          3HZ       LYS   1 -10.688  12.585  -9.476
   16    HA   PRO   2           HA       PRO   2  -6.359   7.768  -1.339
   17   1HB   PRO   2          1HB       PRO   2  -9.065   6.470  -1.603
   18   2HB   PRO   2          2HB       PRO   2  -7.918   6.434  -0.258
   19   1HG   PRO   2          2HG       PRO   2  -9.912   8.180  -0.075
   20   2HG   PRO   2          1HG       PRO   2  -8.283   8.795   0.244
   21   1HD   PRO   2          1HD       PRO   2  -9.897   9.015  -2.351
   22   2HD   PRO   2          2HD       PRO   2  -8.981  10.281  -1.501
   23    H    PHE   3           H        PHE   3  -5.705   5.723  -1.632
   24    HA   PHE   3           HA       PHE   3  -5.852   4.626  -4.419
   25   1HB   PHE   3          1HB       PHE   3  -3.504   4.840  -2.473
   26   2HB   PHE   3          2HB       PHE   3  -3.440   3.868  -3.933
   27    HD1  PHE   3           HD1      PHE   3  -3.139   4.917  -6.090
   28    HD2  PHE   3           HD2      PHE   3  -3.810   7.334  -2.640
   29    HE1  PHE   3           HE1      PHE   3  -2.539   6.922  -7.369
   30    HE2  PHE   3           HE2      PHE   3  -3.217   9.332  -3.929
   31    HZ   PHE   3           HZ       PHE   3  -2.585   9.132  -6.294
   32    H    GLN   4           H        GLN   4  -5.770   2.288  -4.506
   33    HA   GLN   4           HA       GLN   4  -6.139   0.933  -1.870
   34   1HB   GLN   4          1HB       GLN   4  -8.403   1.417  -2.882
   35   2HB   GLN   4          2HB       GLN   4  -7.939   0.497  -4.303
   36   1HG   GLN   4          2HG       GLN   4  -7.642  -1.552  -2.899
   37   2HG   GLN   4          1HG       GLN   4  -8.051  -0.637  -1.460
   38   1HE2  GLN   4          2HE2      GLN   4 -10.134  -1.110  -0.838
   39   2HE2  GLN   4          1HE2      GLN   4 -11.434  -1.388  -1.891
   40    H    CYS   5           H        CYS   5  -5.641  -1.235  -1.845
   41    HA   CYS   5           HA       CYS   5  -3.639  -2.048  -3.866
   42   1HB   CYS   5          1HB       CYS   5  -3.002  -2.196  -1.575
   43   2HB   CYS   5          2HB       CYS   5  -4.457  -3.093  -1.148
   44    H    LYS   6           H        LYS   6  -3.817  -3.910  -5.064
   45    HA   LYS   6           HA       LYS   6  -6.579  -5.038  -5.346
   46   1HB   LYS   6          1HB       LYS   6  -5.812  -5.655  -7.657
   47   2HB   LYS   6          2HB       LYS   6  -5.709  -3.932  -7.363
   48   1HG   LYS   6          2HG       LYS   6  -3.281  -4.120  -6.914
   49   2HG   LYS   6          1HG       LYS   6  -3.351  -5.864  -7.120
   50   1HD   LYS   6          2HD       LYS   6  -4.146  -5.524  -9.476
   51   2HD   LYS   6          1HD       LYS   6  -4.000  -3.789  -9.259
   52   1HE   LYS   6          2HE       LYS   6  -1.696  -5.772  -9.002
   53   2HE   LYS   6          1HE       LYS   6  -1.992  -4.742 -10.392
   54   1HZ   LYS   6          1HZ       LYS   6  -1.994  -3.135  -8.105
   55   2HZ   LYS   6          2HZ       LYS   6  -0.897  -3.138  -9.401
   56   3HZ   LYS   6          3HZ       LYS   6  -0.618  -4.129  -8.049
   57    H    THR   7           H        THR   7  -4.856  -5.816  -3.299
   58    HA   THR   7           HA       THR   7  -4.504  -8.702  -3.939
   59    HB   THR   7           HB       THR   7  -2.512  -7.028  -2.283
   60    HG1  THR   7           HG1      THR   7  -2.868  -7.503  -4.926
   61   1HG2  THR   7          1HG2      THR   7  -2.482  -9.910  -3.423
   62   2HG2  THR   7          2HG2      THR   7  -2.717  -9.564  -1.719
   63   3HG2  THR   7          3HG2      THR   7  -1.190  -9.201  -2.489
   64    H    CYS   8           H        CYS   8  -4.780  -6.238  -1.388
   65    HA   CYS   8           HA       CYS   8  -6.216  -8.289   0.273
   66   1HB   CYS   8          1HB       CYS   8  -5.291  -7.150   2.246
   67   2HB   CYS   8          2HB       CYS   8  -4.006  -7.717   1.179
   68    H    GLN   9           H        GLN   9  -6.122  -5.166  -1.057
   69    HA   GLN   9           HA       GLN   9  -7.751  -3.576  -1.463
   70   1HB   GLN   9          1HB       GLN   9  -9.660  -5.518   0.020
   71   2HB   GLN   9          2HB       GLN   9 -10.133  -4.016  -0.709
   72   1HG   GLN   9          2HG       GLN   9 -10.579  -5.828  -2.280
   73   2HG   GLN   9          1HG       GLN   9  -9.357  -4.763  -2.935
   74   1HE2  GLN   9          2HE2      GLN   9  -7.539  -5.810  -3.746
   75   2HE2  GLN   9          1HE2      GLN   9  -7.091  -7.406  -3.377
   76    H    ARG  10           H        ARG  10  -6.012  -3.021   0.128
   77    HA   ARG  10           HA       ARG  10  -7.137  -1.803   2.620
   78   1HB   ARG  10          1HB       ARG  10  -5.100  -3.424   2.731
   79   2HB   ARG  10          2HB       ARG  10  -4.196  -2.198   1.849
   80   1HG   ARG  10          2HG       ARG  10  -4.590  -0.579   3.680
   81   2HG   ARG  10          1HG       ARG  10  -5.588  -1.752   4.525
   82   1HD   ARG  10          2HD       ARG  10  -3.556  -3.314   4.532
   83   2HD   ARG  10          1HD       ARG  10  -2.608  -1.950   3.939
   84    HE   ARG  10           HE       ARG  10  -3.251  -0.731   6.027
   85   1HH1  ARG  10          1HH1      ARG  10  -1.462  -2.971   6.748
   86   2HH1  ARG  10          2HH1      ARG  10  -2.320  -3.761   8.028
   87   1HH2  ARG  10          2HH2      ARG  10  -5.350  -2.184   7.218
   88   2HH2  ARG  10          1HH2      ARG  10  -4.593  -3.302   8.302
   89    H    LYS  11           H        LYS  11  -6.614   0.537   2.790
   90    HA   LYS  11           HA       LYS  11  -6.024   1.649   0.084
   91   1HB   LYS  11          1HB       LYS  11  -7.400   3.619   0.741
   92   2HB   LYS  11          2HB       LYS  11  -8.317   2.139   0.764
   93   1HG   LYS  11          2HG       LYS  11  -8.261   1.957   3.157
   94   2HG   LYS  11          1HG       LYS  11  -7.045   3.200   3.321
   95   1HD   LYS  11          2HD       LYS  11  -9.624   4.000   1.983
   96   2HD   LYS  11          1HD       LYS  11  -9.698   3.677   3.701
   97   1HE   LYS  11          2HE       LYS  11  -9.256   6.071   3.340
   98   2HE   LYS  11          1HE       LYS  11  -7.844   5.339   4.073
   99   1HZ   LYS  11          1HZ       LYS  11  -7.616   5.187   1.275
  100   2HZ   LYS  11          2HZ       LYS  11  -6.633   6.011   2.382
  101   3HZ   LYS  11          3HZ       LYS  11  -7.997   6.774   1.717
  102    H    PHE  12           H        PHE  12  -5.154   3.797   0.025
  103    HA   PHE  12           HA       PHE  12  -3.366   4.553   2.268
  104   1HB   PHE  12          1HB       PHE  12  -2.485   4.102  -0.651
  105   2HB   PHE  12          2HB       PHE  12  -1.435   4.615   0.654
  106    HD1  PHE  12           HD1      PHE  12  -1.046   3.079   2.615
  107    HD2  PHE  12           HD2      PHE  12  -3.232   1.761  -0.801
  108    HE1  PHE  12           HE1      PHE  12  -0.860   0.759   3.378
  109    HE2  PHE  12           HE2      PHE  12  -3.032  -0.553  -0.043
  110    HZ   PHE  12           HZ       PHE  12  -1.858  -1.055   2.056
  111    H    SER  13           H        SER  13  -2.250   6.707   1.508
  112    HA   SER  13           HA       SER  13  -4.463   8.486   0.615
  113   1HB   SER  13          2HB       SER  13  -3.100  10.277   1.743
  114   2HB   SER  13          1HB       SER  13  -3.547   8.980   2.835
  115    HG   SER  13           HG       SER  13  -1.298   8.298   1.529
  116    H    ARG  14           H        ARG  14  -1.112   7.665  -0.074
  117    HA   ARG  14           HA       ARG  14  -1.251   9.386  -2.537
  118   1HB   ARG  14          1HB       ARG  14   1.323   8.466  -1.210
  119   2HB   ARG  14          2HB       ARG  14   1.085   9.718  -2.435
  120   1HG   ARG  14          2HG       ARG  14  -0.015  11.171  -0.830
  121   2HG   ARG  14          1HG       ARG  14   0.139   9.975   0.440
  122   1HD   ARG  14          2HD       ARG  14   2.126  11.176   0.844
  123   2HD   ARG  14          1HD       ARG  14   2.738  10.058  -0.341
  124    HE   ARG  14           HE       ARG  14   1.797  12.795  -1.082
  125   1HH1  ARG  14          2HH2      ARG  14   4.692  11.584  -0.539
  126   2HH1  ARG  14          1HH2      ARG  14   5.290  11.592  -2.165
  127   1HH2  ARG  14          1HH1      ARG  14   2.110  12.151  -3.531
  128   2HH2  ARG  14          2HH1      ARG  14   3.785  11.918  -3.910
  129    H    SER  15           H        SER  15   0.511   8.492  -4.136
  130    HA   SER  15           HA       SER  15  -0.270   5.692  -4.704
  131   1HB   SER  15          2HB       SER  15   0.764   6.140  -6.939
  132   2HB   SER  15          1HB       SER  15  -0.333   7.435  -6.527
  133    HG   SER  15           HG       SER  15   1.287   8.741  -6.523
  134    H    ASP  16           H        ASP  16   2.584   7.673  -4.024
  135    HA   ASP  16           HA       ASP  16   4.543   5.612  -4.291
  136   1HB   ASP  16          1HB       ASP  16   5.974   7.151  -2.850
  137   2HB   ASP  16          2HB       ASP  16   5.224   8.002  -4.194
  138    H    HIS  17           H        HIS  17   2.124   6.397  -1.970
  139    HA   HIS  17           HA       HIS  17   3.294   4.894   0.195
  140   1HB   HIS  17          1HB       HIS  17   0.428   5.923  -0.276
  141   2HB   HIS  17          2HB       HIS  17   0.878   5.028   1.158
  142    HD1  HIS  17           HD1      HIS  17   0.088   7.657   1.977
  143    HD2  HIS  17           HD2      HIS  17   3.879   7.201   0.542
  144    HE1  HIS  17           HE1      HIS  17   1.382   9.546   2.821
  145    H    LEU  18           H        LEU  18   0.475   4.350  -1.938
  146    HA   LEU  18           HA       LEU  18  -0.158   1.707  -1.416
  147   1HB   LEU  18          1HB       LEU  18  -1.366   3.131  -3.023
  148   2HB   LEU  18          2HB       LEU  18  -0.005   3.076  -4.142
  149    HG   LEU  18           HG       LEU  18  -0.342   0.511  -4.174
  150   1HD1  LEU  18          1HD1      LEU  18  -2.976   1.241  -2.881
  151   2HD1  LEU  18          2HD1      LEU  18  -1.679   0.318  -2.131
  152   3HD1  LEU  18          3HD1      LEU  18  -2.519  -0.325  -3.527
  153   1HD2  LEU  18          1HD2      LEU  18  -1.070   2.024  -6.026
  154   2HD2  LEU  18          2HD2      LEU  18  -2.596   2.309  -5.208
  155   3HD2  LEU  18          3HD2      LEU  18  -2.213   0.710  -5.813
  156    H    LYS  19           H        LYS  19   2.360   2.798  -3.669
  157    HA   LYS  19           HA       LYS  19   3.320   0.288  -4.528
  158   1HB   LYS  19          1HB       LYS  19   4.880   2.877  -4.038
  159   2HB   LYS  19          2HB       LYS  19   5.466   1.537  -5.010
  160   1HG   LYS  19          2HG       LYS  19   3.643   1.803  -6.597
  161   2HG   LYS  19          1HG       LYS  19   2.863   3.021  -5.622
  162   1HD   LYS  19          2HD       LYS  19   5.124   4.342  -5.869
  163   2HD   LYS  19          1HD       LYS  19   5.478   3.204  -7.154
  164   1HE   LYS  19          2HE       LYS  19   3.034   5.020  -7.039
  165   2HE   LYS  19          1HE       LYS  19   4.424   5.236  -8.089
  166   1HZ   LYS  19          1HZ       LYS  19   3.467   2.632  -8.425
  167   2HZ   LYS  19          2HZ       LYS  19   3.508   3.904  -9.548
  168   3HZ   LYS  19          3HZ       LYS  19   2.154   3.702  -8.541
  169    H    THR  20           H        THR  20   4.736   2.290  -1.903
  170    HA   THR  20           HA       THR  20   6.561   0.468  -0.924
  171    HB   THR  20           HB       THR  20   4.757   2.409   0.685
  172    HG1  THR  20           HG1      THR  20   5.907   3.497  -0.776
  173   1HG2  THR  20          1HG2      THR  20   7.550   1.307   1.354
  174   2HG2  THR  20          2HG2      THR  20   6.093   0.768   2.173
  175   3HG2  THR  20          3HG2      THR  20   6.615   2.432   2.327
  176    H    HIS  21           H        HIS  21   3.174   0.613  -0.214
  177    HA   HIS  21           HA       HIS  21   3.049  -1.506   1.679
  178   1HB   HIS  21          1HB       HIS  21   1.160  -0.049   1.546
  179   2HB   HIS  21          2HB       HIS  21   0.946  -0.304  -0.171
  180    HD1  HIS  21           HD1      HIS  21   0.535  -2.178   3.031
  181    HD2  HIS  21           HD2      HIS  21  -0.534  -2.572  -0.912
  182    HE1  HIS  21           HE1      HIS  21  -1.025  -4.099   2.896
  183    H    THR  22           H        THR  22   2.032  -1.664  -1.731
  184    HA   THR  22           HA       THR  22   1.398  -4.290  -2.018
  185    HB   THR  22           HB       THR  22   2.292  -3.907  -4.411
  186    HG1  THR  22           HG1      THR  22   2.603  -1.374  -3.268
  187   1HG2  THR  22          1HG2      THR  22   0.385  -1.800  -3.233
  188   2HG2  THR  22          2HG2      THR  22  -0.121  -3.401  -3.749
  189   3HG2  THR  22          3HG2      THR  22   0.481  -2.250  -4.930
  190    H    ARG  23           H        ARG  23   4.548  -2.940  -1.866
  191    HA   ARG  23           HA       ARG  23   6.178  -4.848  -2.888
  192   1HB   ARG  23          1HB       ARG  23   6.755  -2.630  -1.643
  193   2HB   ARG  23          2HB       ARG  23   6.705  -3.568  -0.171
  194   1HG   ARG  23          2HG       ARG  23   8.997  -3.493  -0.709
  195   2HG   ARG  23          1HG       ARG  23   8.518  -5.086  -1.238
  196   1HD   ARG  23          2HD       ARG  23   8.705  -2.668  -3.103
  197   2HD   ARG  23          1HD       ARG  23   9.965  -3.871  -2.913
  198    HE   ARG  23           HE       ARG  23   8.377  -5.564  -3.801
  199   1HH1  ARG  23          1HH1      ARG  23   6.892  -2.489  -3.798
  200   2HH1  ARG  23          2HH1      ARG  23   6.225  -2.670  -5.387
  201   1HH2  ARG  23          2HH2      ARG  23   7.889  -5.692  -5.929
  202   2HH2  ARG  23          1HH2      ARG  23   6.809  -4.540  -6.661
  203    H    THR  24           H        THR  24   4.337  -5.232   0.014
  204    HA   THR  24           HA       THR  24   5.781  -7.637   0.907
  205    HB   THR  24           HB       THR  24   4.812  -5.890   2.474
  206    HG1  THR  24           HG1      THR  24   4.750  -8.576   2.544
  207   1HG2  THR  24          1HG2      THR  24   2.167  -7.334   1.832
  208   2HG2  THR  24          2HG2      THR  24   2.500  -5.680   1.356
  209   3HG2  THR  24          3HG2      THR  24   2.401  -6.101   3.056
  210    H    HIS  25           H        HIS  25   3.877  -7.313  -1.522
  211    HA   HIS  25           HA       HIS  25   2.433  -9.921  -1.236
  212   1HB   HIS  25          1HB       HIS  25   1.724  -7.531  -2.991
  213   2HB   HIS  25          2HB       HIS  25   0.907  -9.076  -3.019
  214    HD1  HIS  25           HD1      HIS  25   0.462  -9.405   0.047
  215    HD2  HIS  25           HD2      HIS  25  -0.192  -5.938  -2.000
  216    HE1  HIS  25           HE1      HIS  25  -1.184  -8.107   1.380
  217    H    THR  26           H        THR  26   3.978  -7.667  -3.386
  218    HA   THR  26           HA       THR  26   4.334  -9.279  -5.681
  219    HB   THR  26           HB       THR  26   6.233  -7.046  -4.724
  220    HG1  THR  26           HG1      THR  26   3.647  -7.060  -5.345
  221   1HG2  THR  26          1HG2      THR  26   5.449  -8.052  -7.532
  222   2HG2  THR  26          2HG2      THR  26   6.985  -8.431  -6.775
  223   3HG2  THR  26          3HG2      THR  26   6.596  -6.773  -7.194
  224    H    GLY  27           H        GLY  27   6.461  -8.679  -3.047
  225   1HA   GLY  27          1HA       GLY  27   8.590  -9.541  -2.558
  226   2HA   GLY  27          2HA       GLY  27   7.562 -10.934  -2.247
  227    H    GLU  28           H        GLU  28   8.632  -9.396  -5.197
  228    HA   GLU  28           HA       GLU  28   8.961 -10.499  -7.235
  229   1HB   GLU  28          1HB       GLU  28  11.569 -10.259  -5.687
  230   2HB   GLU  28          2HB       GLU  28  11.300 -10.219  -7.413
  231   1HG   GLU  28          2HG       GLU  28  11.594  -7.932  -6.712
  232   2HG   GLU  28          1HG       GLU  28   9.953  -8.184  -7.265
  233    H    LYS  29           H        LYS  29   7.888 -12.569  -6.484
  234    HA   LYS  29           HA       LYS  29   9.832 -14.848  -6.621
  235   1HB   LYS  29          1HB       LYS  29   8.371 -14.747  -4.558
  236   2HB   LYS  29          2HB       LYS  29   6.958 -14.843  -5.582
  237   1HG   LYS  29          2HG       LYS  29   7.386 -17.077  -4.767
  238   2HG   LYS  29          1HG       LYS  29   7.842 -17.078  -6.459
  239   1HD   LYS  29          2HD       LYS  29  10.246 -16.765  -5.811
  240   2HD   LYS  29          1HD       LYS  29   9.776 -16.739  -4.121
  241   1HE   LYS  29          2HE       LYS  29   8.878 -19.064  -4.352
  242   2HE   LYS  29          1HE       LYS  29   9.367 -19.071  -6.042
  243   1HZ   LYS  29          1HZ       LYS  29  11.562 -18.280  -4.514
  244   2HZ   LYS  29          2HZ       LYS  29  11.360 -19.698  -5.426
  245   3HZ   LYS  29          3HZ       LYS  29  10.899 -19.666  -3.792
  Start of MODEL   20
    1   1H    LYS   1          1H        LYS   1  -4.889  11.840  -2.681
    2   2H    LYS   1          2H        LYS   1  -5.954  13.135  -2.933
    3   3H    LYS   1          3H        LYS   1  -5.297  12.293  -4.255
    4    HA   LYS   1           HA       LYS   1  -7.645  11.790  -2.811
    5   1HB   LYS   1          2HB       LYS   1  -6.307  10.308  -5.127
    6   2HB   LYS   1          1HB       LYS   1  -7.961  10.048  -4.629
    7   1HG   LYS   1          2HG       LYS   1  -8.298  11.534  -6.385
    8   2HG   LYS   1          1HG       LYS   1  -8.205  12.663  -5.053
    9   1HD   LYS   1          2HD       LYS   1  -5.850  13.190  -5.592
   10   2HD   LYS   1          1HD       LYS   1  -5.820  11.929  -6.813
   11   1HE   LYS   1          2HE       LYS   1  -6.144  14.099  -7.904
   12   2HE   LYS   1          1HE       LYS   1  -7.647  13.205  -8.034
   13   1HZ   LYS   1          1HZ       LYS   1  -7.681  14.640  -5.632
   14   2HZ   LYS   1          2HZ       LYS   1  -8.673  14.831  -6.997
   15   3HZ   LYS   1          3HZ       LYS   1  -7.219  15.695  -6.879
   16    HA   PRO   2           HA       PRO   2  -6.376   7.853  -0.795
   17   1HB   PRO   2          1HB       PRO   2  -9.054   6.719  -1.326
   18   2HB   PRO   2          2HB       PRO   2  -8.316   7.154   0.216
   19   1HG   PRO   2          2HG       PRO   2 -10.381   8.618  -0.781
   20   2HG   PRO   2          1HG       PRO   2  -9.063   9.418   0.081
   21   1HD   PRO   2          1HD       PRO   2  -9.342   9.067  -2.955
   22   2HD   PRO   2          2HD       PRO   2  -9.080  10.573  -2.036
   23    H    PHE   3           H        PHE   3  -5.843   5.858  -1.313
   24    HA   PHE   3           HA       PHE   3  -6.149   4.902  -4.130
   25   1HB   PHE   3          1HB       PHE   3  -3.639   5.142  -2.411
   26   2HB   PHE   3          2HB       PHE   3  -3.698   4.094  -3.814
   27    HD1  PHE   3           HD1      PHE   3  -3.968   5.046  -6.075
   28    HD2  PHE   3           HD2      PHE   3  -3.700   7.596  -2.671
   29    HE1  PHE   3           HE1      PHE   3  -3.575   6.967  -7.545
   30    HE2  PHE   3           HE2      PHE   3  -3.318   9.519  -4.147
   31    HZ   PHE   3           HZ       PHE   3  -3.257   9.209  -6.585
   32    H    GLN   4           H        GLN   4  -5.798   2.540  -4.303
   33    HA   GLN   4           HA       GLN   4  -6.175   1.070  -1.743
   34   1HB   GLN   4          1HB       GLN   4  -8.438   1.499  -2.688
   35   2HB   GLN   4          2HB       GLN   4  -7.951   0.782  -4.209
   36   1HG   GLN   4          2HG       GLN   4  -7.635  -1.420  -3.114
   37   2HG   GLN   4          1HG       GLN   4  -8.017  -0.735  -1.543
   38   1HE2  GLN   4          2HE2      GLN   4 -10.144  -1.029  -0.945
   39   2HE2  GLN   4          1HE2      GLN   4 -11.441  -1.253  -2.017
   40    H    CYS   5           H        CYS   5  -5.731  -1.128  -1.829
   41    HA   CYS   5           HA       CYS   5  -3.667  -1.887  -3.846
   42   1HB   CYS   5          1HB       CYS   5  -3.061  -2.084  -1.488
   43   2HB   CYS   5          2HB       CYS   5  -4.471  -3.083  -1.174
   44    H    LYS   6           H        LYS   6  -4.074  -3.481  -5.273
   45    HA   LYS   6           HA       LYS   6  -6.815  -4.674  -5.310
   46   1HB   LYS   6          1HB       LYS   6  -6.302  -5.104  -7.725
   47   2HB   LYS   6          2HB       LYS   6  -6.159  -3.407  -7.324
   48   1HG   LYS   6          2HG       LYS   6  -3.655  -3.708  -7.094
   49   2HG   LYS   6          1HG       LYS   6  -3.838  -5.378  -7.590
   50   1HD   LYS   6          2HD       LYS   6  -4.853  -4.615  -9.751
   51   2HD   LYS   6          1HD       LYS   6  -4.637  -2.948  -9.251
   52   1HE   LYS   6          2HE       LYS   6  -2.781  -3.613 -10.727
   53   2HE   LYS   6          1HE       LYS   6  -2.159  -3.331  -9.108
   54   1HZ   LYS   6          1HZ       LYS   6  -2.956  -6.008  -9.296
   55   2HZ   LYS   6          2HZ       LYS   6  -1.394  -5.378  -9.079
   56   3HZ   LYS   6          3HZ       LYS   6  -1.992  -5.646 -10.646
   57    H    THR   7           H        THR   7  -4.875  -5.556  -3.520
   58    HA   THR   7           HA       THR   7  -4.521  -8.378  -4.394
   59    HB   THR   7           HB       THR   7  -2.465  -6.753  -2.774
   60    HG1  THR   7           HG1      THR   7  -1.928  -6.166  -4.723
   61   1HG2  THR   7          1HG2      THR   7  -2.351  -9.469  -4.212
   62   2HG2  THR   7          2HG2      THR   7  -2.453  -9.321  -2.463
   63   3HG2  THR   7          3HG2      THR   7  -1.041  -8.727  -3.320
   64    H    CYS   8           H        CYS   8  -4.744  -6.102  -1.666
   65    HA   CYS   8           HA       CYS   8  -5.958  -8.323  -0.045
   66   1HB   CYS   8          1HB       CYS   8  -5.078  -7.228   1.943
   67   2HB   CYS   8          2HB       CYS   8  -3.767  -7.578   0.812
   68    H    GLN   9           H        GLN   9  -6.150  -5.116  -1.184
   69    HA   GLN   9           HA       GLN   9  -7.923  -3.655  -1.469
   70   1HB   GLN   9          1HB       GLN   9  -9.614  -5.762   0.056
   71   2HB   GLN   9          2HB       GLN   9 -10.219  -4.256  -0.564
   72   1HG   GLN   9          2HG       GLN   9 -10.676  -5.980  -2.204
   73   2HG   GLN   9          1HG       GLN   9  -9.515  -4.850  -2.867
   74   1HE2  GLN   9          2HE2      GLN   9  -7.639  -5.762  -3.740
   75   2HE2  GLN   9          1HE2      GLN   9  -7.147  -7.368  -3.491
   76    H    ARG  10           H        ARG  10  -6.118  -3.031   0.034
   77    HA   ARG  10           HA       ARG  10  -7.212  -1.936   2.598
   78   1HB   ARG  10          1HB       ARG  10  -5.239  -3.543   2.727
   79   2HB   ARG  10          2HB       ARG  10  -4.305  -2.407   1.753
   80   1HG   ARG  10          2HG       ARG  10  -4.473  -0.709   3.481
   81   2HG   ARG  10          1HG       ARG  10  -5.589  -1.698   4.411
   82   1HD   ARG  10          2HD       ARG  10  -3.704  -3.473   4.542
   83   2HD   ARG  10          1HD       ARG  10  -2.640  -2.292   3.803
   84    HE   ARG  10           HE       ARG  10  -2.473  -2.170   6.288
   85   1HH1  ARG  10          2HH2      ARG  10  -5.355  -2.138   6.934
   86   2HH1  ARG  10          1HH2      ARG  10  -5.657  -0.462   7.252
   87   1HH2  ARG  10          1HH1      ARG  10  -2.697   0.576   5.686
   88   2HH2  ARG  10          2HH1      ARG  10  -4.112   1.111   6.528
   89    H    LYS  11           H        LYS  11  -6.557   0.401   2.898
   90    HA   LYS  11           HA       LYS  11  -6.074   1.654   0.223
   91   1HB   LYS  11          1HB       LYS  11  -7.746   2.655   2.550
   92   2HB   LYS  11          2HB       LYS  11  -7.442   3.608   1.104
   93   1HG   LYS  11          2HG       LYS  11  -8.387   1.654  -0.259
   94   2HG   LYS  11          1HG       LYS  11  -8.876   0.915   1.247
   95   1HD   LYS  11          2HD       LYS  11  -9.824   3.633   0.260
   96   2HD   LYS  11          1HD       LYS  11 -10.729   2.144   0.136
   97   1HE   LYS  11          2HE       LYS  11 -11.600   3.258   2.071
   98   2HE   LYS  11          1HE       LYS  11 -10.593   1.964   2.694
   99   1HZ   LYS  11          1HZ       LYS  11  -8.998   4.238   2.336
  100   2HZ   LYS  11          2HZ       LYS  11  -9.410   3.444   3.779
  101   3HZ   LYS  11          3HZ       LYS  11 -10.395   4.691   3.182
  102    H    PHE  12           H        PHE  12  -5.203   3.770   0.216
  103    HA   PHE  12           HA       PHE  12  -3.347   4.471   2.422
  104   1HB   PHE  12          1HB       PHE  12  -2.537   4.075  -0.510
  105   2HB   PHE  12          2HB       PHE  12  -1.461   4.588   0.778
  106    HD1  PHE  12           HD1      PHE  12  -0.862   2.994   2.615
  107    HD2  PHE  12           HD2      PHE  12  -3.360   1.768  -0.610
  108    HE1  PHE  12           HE1      PHE  12  -0.596   0.646   3.285
  109    HE2  PHE  12           HE2      PHE  12  -3.085  -0.569   0.057
  110    HZ   PHE  12           HZ       PHE  12  -1.712  -1.129   2.014
  111    H    SER  13           H        SER  13  -2.148   6.575   1.532
  112    HA   SER  13           HA       SER  13  -4.327   8.442   0.707
  113   1HB   SER  13          2HB       SER  13  -2.879  10.182   1.873
  114   2HB   SER  13          1HB       SER  13  -3.467   8.919   2.941
  115    HG   SER  13           HG       SER  13  -1.204   8.113   1.709
  116    H    ARG  14           H        ARG  14  -1.175   7.281  -0.167
  117    HA   ARG  14           HA       ARG  14  -1.160   9.190  -2.486
  118   1HB   ARG  14          1HB       ARG  14   1.299   8.062  -1.101
  119   2HB   ARG  14          2HB       ARG  14   1.238   9.308  -2.344
  120   1HG   ARG  14          2HG       ARG  14  -0.081  10.742  -0.722
  121   2HG   ARG  14          1HG       ARG  14   0.179   9.517   0.501
  122   1HD   ARG  14          2HD       ARG  14   1.995  10.957   0.928
  123   2HD   ARG  14          1HD       ARG  14   2.737   9.814  -0.156
  124    HE   ARG  14           HE       ARG  14   1.626  12.422  -1.106
  125   1HH1  ARG  14          1HH1      ARG  14   4.483  10.817  -0.479
  126   2HH1  ARG  14          2HH1      ARG  14   5.208  11.122  -2.023
  127   1HH2  ARG  14          2HH2      ARG  14   2.248  12.418  -3.378
  128   2HH2  ARG  14          1HH2      ARG  14   3.911  12.049  -3.701
  129    H    SER  15           H        SER  15   0.238   8.338  -4.298
  130    HA   SER  15           HA       SER  15  -0.513   5.497  -4.812
  131   1HB   SER  15          2HB       SER  15  -0.280   6.084  -7.195
  132   2HB   SER  15          1HB       SER  15  -1.122   7.395  -6.402
  133    HG   SER  15           HG       SER  15   1.252   7.468  -7.596
  134    H    ASP  16           H        ASP  16   1.790   6.732  -3.292
  135    HA   ASP  16           HA       ASP  16   4.038   5.119  -4.408
  136   1HB   ASP  16          1HB       ASP  16   5.491   6.869  -3.152
  137   2HB   ASP  16          2HB       ASP  16   4.691   7.454  -4.609
  138    H    HIS  17           H        HIS  17   2.047   6.144  -1.751
  139    HA   HIS  17           HA       HIS  17   3.462   4.746   0.374
  140   1HB   HIS  17          1HB       HIS  17   0.537   5.660   0.037
  141   2HB   HIS  17          2HB       HIS  17   1.059   4.796   1.468
  142    HD1  HIS  17           HD1      HIS  17   0.113   7.400   2.179
  143    HD2  HIS  17           HD2      HIS  17   3.962   7.083   0.858
  144    HE1  HIS  17           HE1      HIS  17   1.294   9.380   3.005
  145    H    LEU  18           H        LEU  18   0.697   4.201  -1.719
  146    HA   LEU  18           HA       LEU  18   0.166   1.499  -1.164
  147   1HB   LEU  18          1HB       LEU  18  -1.357   2.961  -2.467
  148   2HB   LEU  18          2HB       LEU  18  -0.153   3.100  -3.744
  149    HG   LEU  18           HG       LEU  18  -0.337   0.547  -4.031
  150   1HD1  LEU  18          1HD1      LEU  18  -2.798   0.889  -2.335
  151   2HD1  LEU  18          2HD1      LEU  18  -1.332   0.043  -1.844
  152   3HD1  LEU  18          3HD1      LEU  18  -2.286  -0.556  -3.180
  153   1HD2  LEU  18          1HD2      LEU  18  -1.470   2.186  -5.561
  154   2HD2  LEU  18          2HD2      LEU  18  -2.859   2.200  -4.482
  155   3HD2  LEU  18          3HD2      LEU  18  -2.430   0.735  -5.350
  156    H    LYS  19           H        LYS  19   2.311   2.950  -3.601
  157    HA   LYS  19           HA       LYS  19   3.211   0.464  -4.718
  158   1HB   LYS  19          1HB       LYS  19   3.412   2.968  -5.611
  159   2HB   LYS  19          2HB       LYS  19   4.891   3.020  -4.678
  160   1HG   LYS  19          2HG       LYS  19   5.658   0.938  -5.985
  161   2HG   LYS  19          1HG       LYS  19   4.249   1.141  -6.997
  162   1HD   LYS  19          2HD       LYS  19   6.662   2.960  -6.723
  163   2HD   LYS  19          1HD       LYS  19   6.056   2.176  -8.163
  164   1HE   LYS  19          2HE       LYS  19   4.832   4.563  -6.731
  165   2HE   LYS  19          1HE       LYS  19   5.480   4.504  -8.359
  166   1HZ   LYS  19          1HZ       LYS  19   3.472   2.567  -8.149
  167   2HZ   LYS  19          2HZ       LYS  19   3.491   3.985  -9.091
  168   3HZ   LYS  19          3HZ       LYS  19   2.912   4.033  -7.488
  169    H    THR  20           H        THR  20   3.930   1.702  -1.759
  170    HA   THR  20           HA       THR  20   6.567   0.299  -1.589
  171    HB   THR  20           HB       THR  20   5.121   2.229   0.372
  172    HG1  THR  20           HG1      THR  20   5.963   3.270  -1.294
  173   1HG2  THR  20          1HG2      THR  20   7.979   1.073   0.470
  174   2HG2  THR  20          2HG2      THR  20   6.697   0.514   1.530
  175   3HG2  THR  20          3HG2      THR  20   7.253   2.174   1.630
  176    H    HIS  21           H        HIS  21   3.334   0.534  -0.354
  177    HA   HIS  21           HA       HIS  21   3.250  -1.534   1.543
  178   1HB   HIS  21          1HB       HIS  21   1.348  -0.082   1.417
  179   2HB   HIS  21          2HB       HIS  21   1.127  -0.344  -0.299
  180    HD1  HIS  21           HD1      HIS  21   0.763  -2.251   2.904
  181    HD2  HIS  21           HD2      HIS  21  -0.469  -2.512  -0.995
  182    HE1  HIS  21           HE1      HIS  21  -0.851  -4.122   2.796
  183    H    THR  22           H        THR  22   2.263  -1.743  -1.843
  184    HA   THR  22           HA       THR  22   1.556  -4.309  -2.217
  185    HB   THR  22           HB       THR  22   2.546  -3.827  -4.606
  186    HG1  THR  22           HG1      THR  22   2.829  -1.311  -3.452
  187   1HG2  THR  22          1HG2      THR  22   0.716  -1.746  -3.306
  188   2HG2  THR  22          2HG2      THR  22   0.162  -3.276  -3.955
  189   3HG2  THR  22          3HG2      THR  22   0.847  -2.069  -5.028
  190    H    ARG  23           H        ARG  23   4.736  -3.180  -1.608
  191    HA   ARG  23           HA       ARG  23   5.985  -5.595  -2.607
  192   1HB   ARG  23          1HB       ARG  23   7.129  -3.356  -0.867
  193   2HB   ARG  23          2HB       ARG  23   8.093  -4.595  -1.651
  194   1HG   ARG  23          2HG       ARG  23   7.271  -3.844  -3.873
  195   2HG   ARG  23          1HG       ARG  23   6.308  -2.593  -3.105
  196   1HD   ARG  23          2HD       ARG  23   8.440  -1.630  -2.130
  197   2HD   ARG  23          1HD       ARG  23   9.348  -2.810  -3.072
  198    HE   ARG  23           HE       ARG  23   7.492  -0.812  -4.284
  199   1HH1  ARG  23          1HH1      ARG  23  10.325  -0.004  -4.116
  200   2HH1  ARG  23          2HH1      ARG  23  10.998  -0.535  -5.621
  201   1HH2  ARG  23          2HH2      ARG  23   8.292  -2.689  -6.265
  202   2HH2  ARG  23          1HH2      ARG  23   9.808  -2.117  -6.878
  203    H    THR  24           H        THR  24   3.952  -5.948  -0.713
  204    HA   THR  24           HA       THR  24   5.298  -7.363   1.527
  205    HB   THR  24           HB       THR  24   3.900  -5.260   2.258
  206    HG1  THR  24           HG1      THR  24   3.817  -6.531   3.910
  207   1HG2  THR  24          1HG2      THR  24   1.568  -7.138   1.526
  208   2HG2  THR  24          2HG2      THR  24   1.931  -5.707   0.583
  209   3HG2  THR  24          3HG2      THR  24   1.444  -5.552   2.263
  210    H    HIS  25           H        HIS  25   3.487  -7.427  -1.278
  211    HA   HIS  25           HA       HIS  25   2.257 -10.084  -0.721
  212   1HB   HIS  25          1HB       HIS  25   1.600  -8.078  -2.907
  213   2HB   HIS  25          2HB       HIS  25   0.794  -9.611  -2.636
  214    HD1  HIS  25           HD1      HIS  25   0.078  -9.488   0.257
  215    HD2  HIS  25           HD2      HIS  25  -0.104  -6.154  -2.105
  216    HE1  HIS  25           HE1      HIS  25  -1.499  -7.940   1.364
  217    H    THR  26           H        THR  26   3.712  -8.223  -3.369
  218    HA   THR  26           HA       THR  26   4.964 -10.752  -4.399
  219    HB   THR  26           HB       THR  26   3.950  -8.344  -6.050
  220    HG1  THR  26           HG1      THR  26   2.786 -10.743  -6.418
  221   1HG2  THR  26          1HG2      THR  26   4.790 -11.189  -6.919
  222   2HG2  THR  26          2HG2      THR  26   5.830  -9.797  -7.162
  223   3HG2  THR  26          3HG2      THR  26   4.283  -9.884  -7.979
  224    H    GLY  27           H        GLY  27   6.222  -9.536  -2.520
  225   1HA   GLY  27          1HA       GLY  27   8.530  -8.102  -3.799
  226   2HA   GLY  27          2HA       GLY  27   7.929  -7.685  -2.184
  227    H    GLU  28           H        GLU  28   8.583 -10.670  -3.960
  228    HA   GLU  28           HA       GLU  28  10.219 -11.687  -1.677
  229   1HB   GLU  28          1HB       GLU  28   8.001 -12.776  -1.853
  230   2HB   GLU  28          2HB       GLU  28   8.373 -13.269  -3.492
  231   1HG   GLU  28          2HG       GLU  28  10.367 -14.577  -2.556
  232   2HG   GLU  28          1HG       GLU  28   9.830 -14.135  -0.946
  233    H    LYS  29           H        LYS  29   9.603 -12.452  -4.996
  234    HA   LYS  29           HA       LYS  29  11.121 -13.798  -6.386
  235   1HB   LYS  29          1HB       LYS  29  11.800 -10.850  -6.534
  236   2HB   LYS  29          2HB       LYS  29  12.304 -12.019  -7.739
  237   1HG   LYS  29          2HG       LYS  29   9.809 -12.640  -7.997
  238   2HG   LYS  29          1HG       LYS  29   9.453 -11.214  -7.039
  239   1HD   LYS  29          2HD       LYS  29  11.093 -11.192  -9.611
  240   2HD   LYS  29          1HD       LYS  29   9.388 -10.818  -9.547
  241   1HE   LYS  29          2HE       LYS  29   9.832  -8.878  -8.089
  242   2HE   LYS  29          1HE       LYS  29  11.550  -9.259  -8.045
  243   1HZ   LYS  29          1HZ       LYS  29  10.729  -9.174 -10.713
  244   2HZ   LYS  29          2HZ       LYS  29  11.817  -8.156  -9.900
  245   3HZ   LYS  29          3HZ       LYS  29  10.162  -7.772  -9.937
  Start of MODEL   21
    1   1H    LYS   1          1H        LYS   1  -6.044  10.972  -4.657
    2   2H    LYS   1          2H        LYS   1  -6.612  12.548  -4.394
    3   3H    LYS   1          3H        LYS   1  -7.469  11.490  -5.406
    4    HA   LYS   1           HA       LYS   1  -7.733  11.885  -2.641
    5   1HB   LYS   1          2HB       LYS   1  -9.873  10.864  -3.113
    6   2HB   LYS   1          1HB       LYS   1  -9.393  11.412  -4.671
    7   1HG   LYS   1          2HG       LYS   1  -9.058   8.560  -3.672
    8   2HG   LYS   1          1HG       LYS   1 -10.297   9.124  -4.745
    9   1HD   LYS   1          2HD       LYS   1  -7.335   9.255  -5.468
   10   2HD   LYS   1          1HD       LYS   1  -8.407   7.957  -5.932
   11   1HE   LYS   1          2HE       LYS   1  -8.893  10.878  -6.689
   12   2HE   LYS   1          1HE       LYS   1  -8.179   9.675  -7.743
   13   1HZ   LYS   1          1HZ       LYS   1 -10.524   8.596  -6.694
   14   2HZ   LYS   1          2HZ       LYS   1 -10.182   9.024  -8.299
   15   3HZ   LYS   1          3HZ       LYS   1 -10.881  10.159  -7.248
   16    HA   PRO   2           HA       PRO   2  -5.925   8.035  -0.769
   17   1HB   PRO   2          1HB       PRO   2  -8.190   6.494  -0.163
   18   2HB   PRO   2          2HB       PRO   2  -7.524   7.751   0.879
   19   1HG   PRO   2          2HG       PRO   2  -9.771   8.022  -1.183
   20   2HG   PRO   2          1HG       PRO   2  -9.775   8.563   0.500
   21   1HD   PRO   2          1HD       PRO   2  -9.244  10.355  -1.367
   22   2HD   PRO   2          2HD       PRO   2  -8.173  10.354   0.026
   23    H    PHE   3           H        PHE   3  -5.585   5.888  -1.162
   24    HA   PHE   3           HA       PHE   3  -6.296   4.961  -3.920
   25   1HB   PHE   3          1HB       PHE   3  -3.659   4.828  -2.410
   26   2HB   PHE   3          2HB       PHE   3  -3.965   3.899  -3.867
   27    HD1  PHE   3           HD1      PHE   3  -3.775   4.927  -6.011
   28    HD2  PHE   3           HD2      PHE   3  -3.822   7.378  -2.524
   29    HE1  PHE   3           HE1      PHE   3  -3.157   6.873  -7.366
   30    HE2  PHE   3           HE2      PHE   3  -3.207   9.325  -3.888
   31    HZ   PHE   3           HZ       PHE   3  -2.879   9.076  -6.310
   32    H    GLN   4           H        GLN   4  -6.088   2.619  -4.186
   33    HA   GLN   4           HA       GLN   4  -6.476   1.088  -1.662
   34   1HB   GLN   4          1HB       GLN   4  -8.735   1.554  -2.532
   35   2HB   GLN   4          2HB       GLN   4  -8.284   0.983  -4.130
   36   1HG   GLN   4          2HG       GLN   4  -7.950  -1.316  -3.261
   37   2HG   GLN   4          1HG       GLN   4  -8.208  -0.764  -1.615
   38   1HE2  GLN   4          2HE2      GLN   4 -10.144  -1.669  -0.999
   39   2HE2  GLN   4          1HE2      GLN   4 -11.585  -1.579  -1.889
   40    H    CYS   5           H        CYS   5  -5.910  -1.036  -1.795
   41    HA   CYS   5           HA       CYS   5  -3.996  -1.731  -3.968
   42   1HB   CYS   5          1HB       CYS   5  -3.177  -1.856  -1.677
   43   2HB   CYS   5          2HB       CYS   5  -4.496  -2.936  -1.240
   44    H    LYS   6           H        LYS   6  -4.519  -3.225  -5.424
   45    HA   LYS   6           HA       LYS   6  -7.073  -4.729  -5.062
   46   1HB   LYS   6          1HB       LYS   6  -5.560  -3.660  -7.447
   47   2HB   LYS   6          2HB       LYS   6  -6.510  -5.109  -7.692
   48   1HG   LYS   6          2HG       LYS   6  -7.944  -3.261  -8.201
   49   2HG   LYS   6          1HG       LYS   6  -8.500  -3.935  -6.684
   50   1HD   LYS   6          2HD       LYS   6  -7.214  -2.105  -5.472
   51   2HD   LYS   6          1HD       LYS   6  -6.834  -1.399  -7.031
   52   1HE   LYS   6          2HE       LYS   6  -9.623  -1.863  -5.880
   53   2HE   LYS   6          1HE       LYS   6  -8.826  -0.309  -6.063
   54   1HZ   LYS   6          1HZ       LYS   6  -8.804  -1.587  -8.549
   55   2HZ   LYS   6          2HZ       LYS   6  -9.632  -0.179  -8.091
   56   3HZ   LYS   6          3HZ       LYS   6 -10.376  -1.693  -7.922
   57    H    THR   7           H        THR   7  -4.876  -5.436  -3.650
   58    HA   THR   7           HA       THR   7  -4.211  -8.129  -4.733
   59    HB   THR   7           HB       THR   7  -2.379  -6.408  -2.954
   60    HG1  THR   7           HG1      THR   7  -1.486  -6.851  -5.425
   61   1HG2  THR   7          1HG2      THR   7  -1.923  -8.894  -4.707
   62   2HG2  THR   7          2HG2      THR   7  -2.015  -8.945  -2.953
   63   3HG2  THR   7          3HG2      THR   7  -0.693  -8.101  -3.748
   64    H    CYS   8           H        CYS   8  -4.774  -5.991  -1.945
   65    HA   CYS   8           HA       CYS   8  -5.709  -8.398  -0.405
   66   1HB   CYS   8          1HB       CYS   8  -4.950  -7.287   1.638
   67   2HB   CYS   8          2HB       CYS   8  -3.617  -7.511   0.502
   68    H    GLN   9           H        GLN   9  -5.998  -5.008  -0.818
   69    HA   GLN   9           HA       GLN   9  -7.978  -3.718  -1.222
   70   1HB   GLN   9          1HB       GLN   9  -9.435  -5.676   0.679
   71   2HB   GLN   9          2HB       GLN   9 -10.135  -4.270  -0.070
   72   1HG   GLN   9          2HG       GLN   9  -9.059  -6.634  -1.651
   73   2HG   GLN   9          1HG       GLN   9 -10.751  -6.275  -1.366
   74   1HE2  GLN   9          2HE2      GLN   9  -8.331  -5.947  -3.608
   75   2HE2  GLN   9          1HE2      GLN   9  -8.921  -4.610  -4.472
   76    H    ARG  10           H        ARG  10  -6.006  -3.015   0.019
   77    HA   ARG  10           HA       ARG  10  -6.766  -1.976   2.727
   78   1HB   ARG  10          1HB       ARG  10  -4.717  -3.473   2.537
   79   2HB   ARG  10          2HB       ARG  10  -3.997  -2.272   1.470
   80   1HG   ARG  10          2HG       ARG  10  -3.984  -0.613   3.256
   81   2HG   ARG  10          1HG       ARG  10  -4.942  -1.657   4.293
   82   1HD   ARG  10          2HD       ARG  10  -3.140  -3.308   4.415
   83   2HD   ARG  10          1HD       ARG  10  -2.187  -2.418   3.245
   84    HE   ARG  10           HE       ARG  10  -2.894  -1.328   5.949
   85   1HH1  ARG  10          1HH1      ARG  10  -0.390  -2.669   4.201
   86   2HH1  ARG  10          2HH1      ARG  10   0.750  -1.399   4.500
   87   1HH2  ARG  10          2HH2      ARG  10  -1.646   0.694   5.961
   88   2HH2  ARG  10          1HH2      ARG  10   0.021   0.542   5.513
   89    H    LYS  11           H        LYS  11  -6.030   0.346   2.994
   90    HA   LYS  11           HA       LYS  11  -6.076   1.721   0.343
   91   1HB   LYS  11          1HB       LYS  11  -7.444   3.521   1.456
   92   2HB   LYS  11          2HB       LYS  11  -8.243   1.962   1.510
   93   1HG   LYS  11          2HG       LYS  11  -7.221   1.622   3.852
   94   2HG   LYS  11          1HG       LYS  11  -6.681   3.288   3.770
   95   1HD   LYS  11          2HD       LYS  11  -9.003   4.075   3.570
   96   2HD   LYS  11          1HD       LYS  11  -9.585   2.416   3.526
   97   1HE   LYS  11          2HE       LYS  11  -8.582   2.047   5.812
   98   2HE   LYS  11          1HE       LYS  11  -8.119   3.743   5.852
   99   1HZ   LYS  11          1HZ       LYS  11 -10.825   3.570   5.157
  100   2HZ   LYS  11          2HZ       LYS  11 -10.124   4.242   6.552
  101   3HZ   LYS  11          3HZ       LYS  11 -10.561   2.601   6.526
  102    H    PHE  12           H        PHE  12  -5.164   3.874   0.280
  103    HA   PHE  12           HA       PHE  12  -3.170   4.543   2.367
  104   1HB   PHE  12          1HB       PHE  12  -2.520   4.177  -0.619
  105   2HB   PHE  12          2HB       PHE  12  -1.381   4.717   0.600
  106    HD1  PHE  12           HD1      PHE  12  -0.850   3.193   2.569
  107    HD2  PHE  12           HD2      PHE  12  -3.140   1.853  -0.764
  108    HE1  PHE  12           HE1      PHE  12  -0.537   0.873   3.281
  109    HE2  PHE  12           HE2      PHE  12  -2.831  -0.472  -0.042
  110    HZ   PHE  12           HZ       PHE  12  -1.539  -0.952   1.989
  111    H    SER  13           H        SER  13  -1.977   6.605   1.333
  112    HA   SER  13           HA       SER  13  -4.157   8.574   0.793
  113   1HB   SER  13          2HB       SER  13  -2.459  10.209   1.834
  114   2HB   SER  13          1HB       SER  13  -3.060   8.972   2.921
  115    HG   SER  13           HG       SER  13  -0.551   9.342   2.010
  116    H    ARG  14           H        ARG  14  -0.894   7.637  -0.100
  117    HA   ARG  14           HA       ARG  14  -1.061   9.345  -2.560
  118   1HB   ARG  14          1HB       ARG  14   1.345   8.279  -1.038
  119   2HB   ARG  14          2HB       ARG  14   1.445   9.113  -2.581
  120   1HG   ARG  14          2HG       ARG  14   0.491  11.143  -1.622
  121   2HG   ARG  14          1HG       ARG  14   0.265  10.341  -0.072
  122   1HD   ARG  14          2HD       ARG  14   2.621  10.075   0.243
  123   2HD   ARG  14          1HD       ARG  14   3.025  10.547  -1.368
  124    HE   ARG  14           HE       ARG  14   2.129  12.848  -0.733
  125   1HH1  ARG  14          1HH1      ARG  14   3.491  10.669   1.657
  126   2HH1  ARG  14          2HH1      ARG  14   3.712  11.948   2.788
  127   1HH2  ARG  14          2HH2      ARG  14   2.301  14.403   0.798
  128   2HH2  ARG  14          1HH2      ARG  14   3.043  14.042   2.322
  129    H    SER  15           H        SER  15   0.511   8.380  -4.249
  130    HA   SER  15           HA       SER  15  -0.397   5.594  -4.826
  131   1HB   SER  15          2HB       SER  15   0.182   6.152  -7.193
  132   2HB   SER  15          1HB       SER  15  -0.863   7.388  -6.542
  133    HG   SER  15           HG       SER  15   1.650   7.639  -7.395
  134    H    ASP  16           H        ASP  16   2.049   7.157  -3.429
  135    HA   ASP  16           HA       ASP  16   4.186   5.289  -4.331
  136   1HB   ASP  16          1HB       ASP  16   5.725   7.058  -3.280
  137   2HB   ASP  16          2HB       ASP  16   4.869   7.589  -4.727
  138    H    HIS  17           H        HIS  17   1.868   5.497  -2.285
  139    HA   HIS  17           HA       HIS  17   3.240   4.373   0.114
  140   1HB   HIS  17          1HB       HIS  17   0.603   5.913  -0.249
  141   2HB   HIS  17          2HB       HIS  17   0.947   5.017   1.217
  142    HD1  HIS  17           HD1      HIS  17   0.603   7.715   1.933
  143    HD2  HIS  17           HD2      HIS  17   4.237   6.720   0.355
  144    HE1  HIS  17           HE1      HIS  17   2.160   9.439   2.653
  145    H    LEU  18           H        LEU  18   1.326   3.927  -2.581
  146    HA   LEU  18           HA       LEU  18  -0.042   1.513  -1.592
  147   1HB   LEU  18          1HB       LEU  18  -1.305   3.068  -3.099
  148   2HB   LEU  18          2HB       LEU  18  -0.050   2.897  -4.321
  149    HG   LEU  18           HG       LEU  18  -0.545   0.422  -4.449
  150   1HD1  LEU  18          1HD1      LEU  18  -2.897   1.061  -2.661
  151   2HD1  LEU  18          2HD1      LEU  18  -1.490   0.120  -2.178
  152   3HD1  LEU  18          3HD1      LEU  18  -2.540  -0.465  -3.444
  153   1HD2  LEU  18          1HD2      LEU  18  -1.619   2.037  -6.028
  154   2HD2  LEU  18          2HD2      LEU  18  -2.958   2.239  -4.908
  155   3HD2  LEU  18          3HD2      LEU  18  -2.680   0.686  -5.673
  156    H    LYS  19           H        LYS  19   2.621   2.558  -3.696
  157    HA   LYS  19           HA       LYS  19   3.132  -0.193  -4.614
  158   1HB   LYS  19          1HB       LYS  19   4.988   0.733  -5.853
  159   2HB   LYS  19          2HB       LYS  19   3.670   1.875  -5.955
  160   1HG   LYS  19          2HG       LYS  19   4.757   3.325  -4.258
  161   2HG   LYS  19          1HG       LYS  19   6.043   2.161  -4.053
  162   1HD   LYS  19          2HD       LYS  19   7.048   3.685  -5.527
  163   2HD   LYS  19          1HD       LYS  19   6.498   2.430  -6.610
  164   1HE   LYS  19          2HE       LYS  19   5.021   5.065  -6.113
  165   2HE   LYS  19          1HE       LYS  19   6.026   4.696  -7.489
  166   1HZ   LYS  19          1HZ       LYS  19   4.209   2.639  -7.360
  167   2HZ   LYS  19          2HZ       LYS  19   4.251   3.918  -8.468
  168   3HZ   LYS  19          3HZ       LYS  19   3.343   4.062  -7.028
  169    H    THR  20           H        THR  20   4.429   2.128  -2.288
  170    HA   THR  20           HA       THR  20   6.541   0.445  -1.299
  171    HB   THR  20           HB       THR  20   5.060   2.784   0.063
  172    HG1  THR  20           HG1      THR  20   6.191   3.783  -1.348
  173   1HG2  THR  20          1HG2      THR  20   7.876   1.645   0.572
  174   2HG2  THR  20          2HG2      THR  20   6.547   1.386   1.690
  175   3HG2  THR  20          3HG2      THR  20   7.143   3.007   1.407
  176    H    HIS  21           H        HIS  21   3.245   0.211  -1.142
  177    HA   HIS  21           HA       HIS  21   3.179  -1.301   1.408
  178   1HB   HIS  21          1HB       HIS  21   1.258   0.079   1.358
  179   2HB   HIS  21          2HB       HIS  21   1.046  -0.079  -0.373
  180    HD1  HIS  21           HD1      HIS  21   0.940  -2.349   2.627
  181    HD2  HIS  21           HD2      HIS  21  -0.762  -2.081  -1.093
  182    HE1  HIS  21           HE1      HIS  21  -0.634  -4.233   2.448
  183    H    THR  22           H        THR  22   2.066  -1.752  -1.958
  184    HA   THR  22           HA       THR  22   1.400  -4.449  -1.813
  185    HB   THR  22           HB       THR  22   2.398  -2.813  -4.194
  186    HG1  THR  22           HG1      THR  22   0.688  -1.922  -3.287
  187   1HG2  THR  22          1HG2      THR  22   0.543  -5.259  -4.158
  188   2HG2  THR  22          2HG2      THR  22   2.205  -5.333  -4.721
  189   3HG2  THR  22          3HG2      THR  22   1.031  -4.343  -5.567
  190    H    ARG  23           H        ARG  23   4.559  -3.115  -1.755
  191    HA   ARG  23           HA       ARG  23   5.953  -5.295  -2.939
  192   1HB   ARG  23          1HB       ARG  23   7.958  -4.322  -1.900
  193   2HB   ARG  23          2HB       ARG  23   6.942  -3.067  -2.583
  194   1HG   ARG  23          2HG       ARG  23   5.995  -2.644  -0.283
  195   2HG   ARG  23          1HG       ARG  23   7.137  -3.805   0.370
  196   1HD   ARG  23          2HD       ARG  23   9.031  -2.459  -0.625
  197   2HD   ARG  23          1HD       ARG  23   7.859  -1.261  -1.158
  198    HE   ARG  23           HE       ARG  23   7.266  -1.003   1.300
  199   1HH1  ARG  23          1HH1      ARG  23   9.631  -3.234   1.418
  200   2HH1  ARG  23          2HH1      ARG  23  10.772  -2.300   2.332
  201   1HH2  ARG  23          2HH2      ARG  23   8.962   0.672   1.947
  202   2HH2  ARG  23          1HH2      ARG  23  10.384  -0.034   2.638
  203    H    THR  24           H        THR  24   4.043  -5.553  -0.362
  204    HA   THR  24           HA       THR  24   5.703  -7.495   1.182
  205    HB   THR  24           HB       THR  24   3.889  -7.236   2.952
  206    HG1  THR  24           HG1      THR  24   2.882  -5.281   1.195
  207   1HG2  THR  24          1HG2      THR  24   4.686  -4.486   1.853
  208   2HG2  THR  24          2HG2      THR  24   5.724  -5.442   2.898
  209   3HG2  THR  24          3HG2      THR  24   4.181  -4.853   3.497
  210    H    HIS  25           H        HIS  25   3.678  -7.387  -1.340
  211    HA   HIS  25           HA       HIS  25   2.272  -9.958  -0.809
  212   1HB   HIS  25          1HB       HIS  25   1.846  -7.850  -2.973
  213   2HB   HIS  25          2HB       HIS  25   0.937  -9.340  -2.842
  214    HD1  HIS  25           HD1      HIS  25   0.169  -9.214   0.110
  215    HD2  HIS  25           HD2      HIS  25  -0.036  -5.939  -2.342
  216    HE1  HIS  25           HE1      HIS  25  -1.474  -7.673   1.129
  217    H    THR  26           H        THR  26   4.136  -8.140  -3.123
  218    HA   THR  26           HA       THR  26   4.890 -10.621  -4.588
  219    HB   THR  26           HB       THR  26   5.358  -7.706  -5.470
  220    HG1  THR  26           HG1      THR  26   3.176  -9.396  -5.328
  221   1HG2  THR  26          1HG2      THR  26   5.023 -10.339  -7.040
  222   2HG2  THR  26          2HG2      THR  26   6.601  -9.641  -6.713
  223   3HG2  THR  26          3HG2      THR  26   5.451  -8.773  -7.711
  224    H    GLY  27           H        GLY  27   6.217  -8.131  -2.623
  225   1HA   GLY  27          1HA       GLY  27   9.025  -9.073  -3.112
  226   2HA   GLY  27          2HA       GLY  27   8.570  -7.602  -2.244
  227    H    GLU  28           H        GLU  28   7.564 -10.936  -2.083
  228    HA   GLU  28           HA       GLU  28   8.357 -11.177   0.785
  229   1HB   GLU  28          1HB       GLU  28   5.880 -10.627   0.339
  230   2HB   GLU  28          2HB       GLU  28   5.764 -12.189  -0.435
  231   1HG   GLU  28          2HG       GLU  28   6.234 -13.357   1.663
  232   2HG   GLU  28          1HG       GLU  28   6.628 -11.839   2.463
  233    H    LYS  29           H        LYS  29   7.990 -13.612   1.393
  234    HA   LYS  29           HA       LYS  29   9.295 -15.352  -0.661
  235   1HB   LYS  29          1HB       LYS  29   9.566 -15.138   2.344
  236   2HB   LYS  29          2HB       LYS  29   9.962 -16.648   1.570
  237   1HG   LYS  29          2HG       LYS  29  11.206 -13.961   0.806
  238   2HG   LYS  29          1HG       LYS  29  11.930 -15.059   1.957
  239   1HD   LYS  29          2HD       LYS  29  11.378 -15.726  -0.982
  240   2HD   LYS  29          1HD       LYS  29  12.938 -15.315  -0.313
  241   1HE   LYS  29          2HE       LYS  29  12.765 -17.329   1.227
  242   2HE   LYS  29          1HE       LYS  29  11.283 -17.778   0.399
  243   1HZ   LYS  29          1HZ       LYS  29  13.248 -17.298  -1.526
  244   2HZ   LYS  29          2HZ       LYS  29  12.457 -18.751  -1.142
  245   3HZ   LYS  29          3HZ       LYS  29  13.892 -18.330  -0.343
  Start of MODEL   22
    1   1H    LYS   1          1H        LYS   1  -8.189  11.528   0.101
    2   2H    LYS   1          2H        LYS   1  -9.352  12.316  -0.849
    3   3H    LYS   1          3H        LYS   1  -7.917  13.117  -0.425
    4    HA   LYS   1           HA       LYS   1  -8.437  11.527  -2.670
    5   1HB   LYS   1          2HB       LYS   1  -5.840  12.819  -1.676
    6   2HB   LYS   1          1HB       LYS   1  -6.160  12.313  -3.326
    7   1HG   LYS   1          2HG       LYS   1  -8.107  13.921  -3.411
    8   2HG   LYS   1          1HG       LYS   1  -7.669  14.494  -1.817
    9   1HD   LYS   1          2HD       LYS   1  -5.797  14.591  -4.224
   10   2HD   LYS   1          1HD       LYS   1  -6.790  15.934  -3.711
   11   1HE   LYS   1          2HE       LYS   1  -4.574  14.642  -2.044
   12   2HE   LYS   1          1HE       LYS   1  -4.487  16.184  -2.873
   13   1HZ   LYS   1          1HZ       LYS   1  -6.768  16.221  -1.276
   14   2HZ   LYS   1          2HZ       LYS   1  -5.351  17.142  -1.117
   15   3HZ   LYS   1          3HZ       LYS   1  -5.482  15.650  -0.324
   16    HA   PRO   2           HA       PRO   2  -6.426   8.041  -0.302
   17   1HB   PRO   2          1HB       PRO   2  -8.423   6.380   0.109
   18   2HB   PRO   2          2HB       PRO   2  -8.454   7.939   0.938
   19   1HG   PRO   2          2HG       PRO   2  -9.815   7.238  -1.724
   20   2HG   PRO   2          1HG       PRO   2 -10.586   7.893  -0.279
   21   1HD   PRO   2          1HD       PRO   2  -9.660   9.545  -2.329
   22   2HD   PRO   2          2HD       PRO   2  -9.675  10.075  -0.632
   23    H    PHE   3           H        PHE   3  -6.012   5.903  -0.881
   24    HA   PHE   3           HA       PHE   3  -6.380   5.173  -3.763
   25   1HB   PHE   3          1HB       PHE   3  -3.901   5.108  -2.007
   26   2HB   PHE   3          2HB       PHE   3  -3.996   4.147  -3.473
   27    HD1  PHE   3           HD1      PHE   3  -3.553   5.151  -5.576
   28    HD2  PHE   3           HD2      PHE   3  -4.245   7.649  -2.194
   29    HE1  PHE   3           HE1      PHE   3  -2.893   7.113  -6.892
   30    HE2  PHE   3           HE2      PHE   3  -3.585   9.614  -3.515
   31    HZ   PHE   3           HZ       PHE   3  -2.908   9.349  -5.862
   32    H    GLN   4           H        GLN   4  -6.079   2.797  -4.087
   33    HA   GLN   4           HA       GLN   4  -6.733   1.168  -1.671
   34   1HB   GLN   4          1HB       GLN   4  -8.841   1.840  -2.937
   35   2HB   GLN   4          2HB       GLN   4  -8.192   1.028  -4.346
   36   1HG   GLN   4          2HG       GLN   4  -9.833  -0.385  -3.217
   37   2HG   GLN   4          1HG       GLN   4  -8.249  -1.132  -3.249
   38   1HE2  GLN   4          2HE2      GLN   4  -7.795  -2.070  -1.367
   39   2HE2  GLN   4          1HE2      GLN   4  -8.248  -1.540   0.185
   40    H    CYS   5           H        CYS   5  -6.108  -1.068  -1.819
   41    HA   CYS   5           HA       CYS   5  -4.009  -1.595  -3.876
   42   1HB   CYS   5          1HB       CYS   5  -3.305  -1.932  -1.579
   43   2HB   CYS   5          2HB       CYS   5  -4.701  -2.950  -1.254
   44    H    LYS   6           H        LYS   6  -4.380  -3.142  -5.343
   45    HA   LYS   6           HA       LYS   6  -7.048  -4.499  -5.347
   46   1HB   LYS   6          1HB       LYS   6  -6.622  -4.748  -7.798
   47   2HB   LYS   6          2HB       LYS   6  -6.646  -3.068  -7.293
   48   1HG   LYS   6          2HG       LYS   6  -4.227  -2.910  -7.305
   49   2HG   LYS   6          1HG       LYS   6  -4.021  -4.633  -7.500
   50   1HD   LYS   6          2HD       LYS   6  -5.338  -2.804  -9.559
   51   2HD   LYS   6          1HD       LYS   6  -3.661  -3.308  -9.621
   52   1HE   LYS   6          2HE       LYS   6  -6.079  -5.187  -9.750
   53   2HE   LYS   6          1HE       LYS   6  -5.019  -4.759 -11.075
   54   1HZ   LYS   6          1HZ       LYS   6  -3.398  -5.661  -9.017
   55   2HZ   LYS   6          2HZ       LYS   6  -3.715  -6.413 -10.504
   56   3HZ   LYS   6          3HZ       LYS   6  -4.680  -6.759  -9.143
   57    H    THR   7           H        THR   7  -4.935  -5.328  -3.745
   58    HA   THR   7           HA       THR   7  -4.357  -8.023  -4.884
   59    HB   THR   7           HB       THR   7  -2.393  -6.482  -3.091
   60    HG1  THR   7           HG1      THR   7  -2.020  -5.398  -4.854
   61   1HG2  THR   7          1HG2      THR   7  -2.058  -8.741  -5.153
   62   2HG2  THR   7          2HG2      THR   7  -2.105  -9.042  -3.424
   63   3HG2  THR   7          3HG2      THR   7  -0.791  -8.105  -4.117
   64    H    CYS   8           H        CYS   8  -4.741  -6.010  -1.950
   65    HA   CYS   8           HA       CYS   8  -5.658  -8.506  -0.532
   66   1HB   CYS   8          1HB       CYS   8  -4.870  -7.509   1.557
   67   2HB   CYS   8          2HB       CYS   8  -3.542  -7.621   0.399
   68    H    GLN   9           H        GLN   9  -5.838  -5.110  -0.794
   69    HA   GLN   9           HA       GLN   9  -7.746  -3.787  -1.210
   70   1HB   GLN   9          1HB       GLN   9  -9.305  -5.737   0.584
   71   2HB   GLN   9          2HB       GLN   9  -9.946  -4.266  -0.072
   72   1HG   GLN   9          2HG       GLN   9  -8.925  -6.535  -1.839
   73   2HG   GLN   9          1HG       GLN   9 -10.610  -6.176  -1.502
   74   1HE2  GLN   9          2HE2      GLN   9  -8.219  -5.649  -3.747
   75   2HE2  GLN   9          1HE2      GLN   9  -8.814  -4.224  -4.457
   76    H    ARG  10           H        ARG  10  -5.851  -3.012   0.073
   77    HA   ARG  10           HA       ARG  10  -6.721  -1.995   2.756
   78   1HB   ARG  10          1HB       ARG  10  -4.528  -3.335   2.777
   79   2HB   ARG  10          2HB       ARG  10  -3.861  -2.174   1.637
   80   1HG   ARG  10          2HG       ARG  10  -4.245  -0.328   3.240
   81   2HG   ARG  10          1HG       ARG  10  -5.049  -1.414   4.354
   82   1HD   ARG  10          2HD       ARG  10  -2.881  -2.623   4.661
   83   2HD   ARG  10          1HD       ARG  10  -2.096  -1.470   3.586
   84    HE   ARG  10           HE       ARG  10  -3.444  -0.720   6.154
   85   1HH1  ARG  10          1HH1      ARG  10  -2.941   1.568   4.278
   86   2HH1  ARG  10          2HH1      ARG  10  -1.398   2.108   4.823
   87   1HH2  ARG  10          2HH2      ARG  10  -0.648  -0.825   6.537
   88   2HH2  ARG  10          1HH2      ARG  10  -0.067   0.744   6.084
   89    H    LYS  11           H        LYS  11  -6.317   0.318   3.008
   90    HA   LYS  11           HA       LYS  11  -6.240   1.674   0.348
   91   1HB   LYS  11          1HB       LYS  11  -7.595   3.462   1.407
   92   2HB   LYS  11          2HB       LYS  11  -8.387   1.909   1.596
   93   1HG   LYS  11          2HG       LYS  11  -7.353   1.729   3.918
   94   2HG   LYS  11          1HG       LYS  11  -6.731   3.355   3.725
   95   1HD   LYS  11          2HD       LYS  11  -9.677   2.575   3.648
   96   2HD   LYS  11          1HD       LYS  11  -8.864   3.297   5.015
   97   1HE   LYS  11          2HE       LYS  11  -9.167   4.644   2.290
   98   2HE   LYS  11          1HE       LYS  11 -10.118   5.005   3.716
   99   1HZ   LYS  11          1HZ       LYS  11  -7.427   5.139   4.434
  100   2HZ   LYS  11          2HZ       LYS  11  -8.572   6.389   4.361
  101   3HZ   LYS  11          3HZ       LYS  11  -7.628   6.026   2.998
  102    H    PHE  12           H        PHE  12  -5.364   3.874   0.374
  103    HA   PHE  12           HA       PHE  12  -3.280   4.435   2.410
  104   1HB   PHE  12          1HB       PHE  12  -2.736   4.200  -0.608
  105   2HB   PHE  12          2HB       PHE  12  -1.557   4.690   0.584
  106    HD1  PHE  12           HD1      PHE  12  -0.882   3.060   2.397
  107    HD2  PHE  12           HD2      PHE  12  -3.379   1.869  -0.852
  108    HE1  PHE  12           HE1      PHE  12  -0.491   0.702   2.947
  109    HE2  PHE  12           HE2      PHE  12  -2.980  -0.491  -0.272
  110    HZ   PHE  12           HZ       PHE  12  -1.564  -1.055   1.617
  111    H    SER  13           H        SER  13  -2.111   6.537   1.430
  112    HA   SER  13           HA       SER  13  -4.293   8.545   1.044
  113   1HB   SER  13          2HB       SER  13  -2.556  10.141   2.069
  114   2HB   SER  13          1HB       SER  13  -3.125   8.890   3.158
  115    HG   SER  13           HG       SER  13  -1.132   7.881   1.684
  116    H    ARG  14           H        ARG  14  -1.080   7.570   0.010
  117    HA   ARG  14           HA       ARG  14  -1.342   9.298  -2.426
  118   1HB   ARG  14          1HB       ARG  14   1.152   8.446  -0.919
  119   2HB   ARG  14          2HB       ARG  14   1.166   9.245  -2.487
  120   1HG   ARG  14          2HG       ARG  14   0.044  11.203  -1.568
  121   2HG   ARG  14          1HG       ARG  14  -0.042  10.448   0.019
  122   1HD   ARG  14          2HD       ARG  14   2.319  10.499   0.291
  123   2HD   ARG  14          1HD       ARG  14   2.644  10.742  -1.410
  124    HE   ARG  14           HE       ARG  14   1.486  13.040  -1.021
  125   1HH1  ARG  14          1HH1      ARG  14   4.317  12.278   0.125
  126   2HH1  ARG  14          2HH1      ARG  14   4.280  13.174   1.609
  127   1HH2  ARG  14          2HH2      ARG  14   0.821  13.727   1.397
  128   2HH2  ARG  14          1HH2      ARG  14   2.237  14.013   2.350
  129    H    SER  15           H        SER  15   0.396   8.402  -4.072
  130    HA   SER  15           HA       SER  15  -0.469   5.644  -4.747
  131   1HB   SER  15          2HB       SER  15   0.403   6.221  -7.019
  132   2HB   SER  15          1HB       SER  15  -0.709   7.451  -6.466
  133    HG   SER  15           HG       SER  15   1.925   7.676  -6.974
  134    H    ASP  16           H        ASP  16   2.439   7.564  -4.112
  135    HA   ASP  16           HA       ASP  16   4.325   5.484  -4.761
  136   1HB   ASP  16          1HB       ASP  16   5.970   6.883  -3.587
  137   2HB   ASP  16          2HB       ASP  16   4.874   7.994  -4.407
  138    H    HIS  17           H        HIS  17   2.376   6.422  -2.037
  139    HA   HIS  17           HA       HIS  17   3.459   4.716  -0.058
  140   1HB   HIS  17          1HB       HIS  17   0.620   5.792  -0.491
  141   2HB   HIS  17          2HB       HIS  17   1.064   4.896   0.952
  142    HD1  HIS  17           HD1      HIS  17   0.338   7.570   1.741
  143    HD2  HIS  17           HD2      HIS  17   4.098   7.005   0.275
  144    HE1  HIS  17           HE1      HIS  17   1.666   9.449   2.530
  145    H    LEU  18           H        LEU  18   0.634   4.251  -2.185
  146    HA   LEU  18           HA       LEU  18   0.023   1.609  -1.660
  147   1HB   LEU  18          1HB       LEU  18  -1.255   3.110  -3.191
  148   2HB   LEU  18          2HB       LEU  18   0.016   2.967  -4.394
  149    HG   LEU  18           HG       LEU  18  -0.420   0.490  -4.517
  150   1HD1  LEU  18          1HD1      LEU  18  -2.768   1.072  -2.712
  151   2HD1  LEU  18          2HD1      LEU  18  -1.346   0.131  -2.268
  152   3HD1  LEU  18          3HD1      LEU  18  -2.410  -0.439  -3.526
  153   1HD2  LEU  18          1HD2      LEU  18  -1.534   2.096  -6.090
  154   2HD2  LEU  18          2HD2      LEU  18  -2.853   2.293  -4.939
  155   3HD2  LEU  18          3HD2      LEU  18  -2.593   0.747  -5.731
  156    H    LYS  19           H        LYS  19   2.501   2.693  -4.040
  157    HA   LYS  19           HA       LYS  19   3.255   0.049  -4.830
  158   1HB   LYS  19          1HB       LYS  19   4.861   2.631  -4.791
  159   2HB   LYS  19          2HB       LYS  19   5.570   1.115  -5.322
  160   1HG   LYS  19          2HG       LYS  19   3.430   0.951  -6.874
  161   2HG   LYS  19          1HG       LYS  19   3.299   2.674  -6.581
  162   1HD   LYS  19          2HD       LYS  19   5.567   3.040  -7.469
  163   2HD   LYS  19          1HD       LYS  19   5.845   1.313  -7.587
  164   1HE   LYS  19          2HE       LYS  19   5.291   2.087  -9.811
  165   2HE   LYS  19          1HE       LYS  19   3.904   1.185  -9.225
  166   1HZ   LYS  19          1HZ       LYS  19   3.635   3.859  -8.441
  167   2HZ   LYS  19          2HZ       LYS  19   2.663   2.962  -9.505
  168   3HZ   LYS  19          3HZ       LYS  19   4.003   3.817 -10.102
  169    H    THR  20           H        THR  20   4.738   2.117  -2.320
  170    HA   THR  20           HA       THR  20   6.713   0.388  -1.384
  171    HB   THR  20           HB       THR  20   4.897   2.129   0.436
  172    HG1  THR  20           HG1      THR  20   5.665   3.235  -1.397
  173   1HG2  THR  20          1HG2      THR  20   7.923   1.579   0.490
  174   2HG2  THR  20          2HG2      THR  20   6.822   0.717   1.547
  175   3HG2  THR  20          3HG2      THR  20   7.001   2.453   1.695
  176    H    HIS  21           H        HIS  21   3.345   0.509  -0.548
  177    HA   HIS  21           HA       HIS  21   3.184  -1.612   1.301
  178   1HB   HIS  21          1HB       HIS  21   1.353  -0.105   1.211
  179   2HB   HIS  21          2HB       HIS  21   1.132  -0.297  -0.512
  180    HD1  HIS  21           HD1      HIS  21   0.823  -2.388   2.585
  181    HD2  HIS  21           HD2      HIS  21  -0.616  -2.312  -1.255
  182    HE1  HIS  21           HE1      HIS  21  -0.867  -4.191   2.417
  183    H    THR  22           H        THR  22   2.277  -1.815  -2.197
  184    HA   THR  22           HA       THR  22   1.578  -4.468  -2.311
  185    HB   THR  22           HB       THR  22   2.358  -4.158  -4.793
  186    HG1  THR  22           HG1      THR  22   2.715  -1.566  -3.809
  187   1HG2  THR  22          1HG2      THR  22   0.600  -1.939  -3.613
  188   2HG2  THR  22          2HG2      THR  22   0.005  -3.546  -4.004
  189   3HG2  THR  22          3HG2      THR  22   0.596  -2.494  -5.282
  190    H    ARG  23           H        ARG  23   4.663  -3.255  -1.679
  191    HA   ARG  23           HA       ARG  23   6.027  -5.644  -2.689
  192   1HB   ARG  23          1HB       ARG  23   6.952  -3.248  -2.762
  193   2HB   ARG  23          2HB       ARG  23   7.168  -3.348  -1.030
  194   1HG   ARG  23          2HG       ARG  23   8.653  -5.342  -1.319
  195   2HG   ARG  23          1HG       ARG  23   8.436  -5.238  -3.056
  196   1HD   ARG  23          2HD       ARG  23   9.581  -3.095  -3.143
  197   2HD   ARG  23          1HD       ARG  23   9.627  -2.982  -1.385
  198    HE   ARG  23           HE       ARG  23  11.081  -5.048  -1.442
  199   1HH1  ARG  23          1HH1      ARG  23  10.494  -4.973  -4.570
  200   2HH1  ARG  23          2HH1      ARG  23  12.094  -4.602  -5.123
  201   1HH2  ARG  23          2HH2      ARG  23  13.220  -3.728  -1.928
  202   2HH2  ARG  23          1HH2      ARG  23  13.675  -3.882  -3.594
  203    H    THR  24           H        THR  24   4.010  -6.008  -0.924
  204    HA   THR  24           HA       THR  24   5.220  -7.224   1.491
  205    HB   THR  24           HB       THR  24   2.553  -5.678   1.321
  206    HG1  THR  24           HG1      THR  24   5.154  -5.056   1.859
  207   1HG2  THR  24          1HG2      THR  24   4.040  -6.858   3.720
  208   2HG2  THR  24          2HG2      THR  24   2.576  -7.558   3.048
  209   3HG2  THR  24          3HG2      THR  24   2.523  -5.966   3.768
  210    H    HIS  25           H        HIS  25   3.441  -7.419  -1.334
  211    HA   HIS  25           HA       HIS  25   2.107  -9.999  -0.625
  212   1HB   HIS  25          1HB       HIS  25   1.687  -8.143  -3.025
  213   2HB   HIS  25          2HB       HIS  25   0.785  -9.621  -2.712
  214    HD1  HIS  25           HD1      HIS  25   0.134  -9.228   0.205
  215    HD2  HIS  25           HD2      HIS  25  -0.167  -6.182  -2.497
  216    HE1  HIS  25           HE1      HIS  25  -1.464  -7.608   1.167
  217    H    THR  26           H        THR  26   4.071  -8.266  -2.941
  218    HA   THR  26           HA       THR  26   5.070 -10.806  -4.125
  219    HB   THR  26           HB       THR  26   5.969  -9.251  -5.943
  220    HG1  THR  26           HG1      THR  26   4.694  -7.312  -4.271
  221   1HG2  THR  26          1HG2      THR  26   3.046  -8.622  -5.216
  222   2HG2  THR  26          2HG2      THR  26   3.540 -10.074  -6.072
  223   3HG2  THR  26          3HG2      THR  26   3.776  -8.498  -6.811
  224    H    GLY  27           H        GLY  27   5.909  -8.360  -1.921
  225   1HA   GLY  27          1HA       GLY  27   8.815  -9.132  -1.986
  226   2HA   GLY  27          2HA       GLY  27   8.223  -7.550  -1.476
  227    H    GLU  28           H        GLU  28   7.284 -10.873  -0.806
  228    HA   GLU  28           HA       GLU  28   7.712 -10.476   2.128
  229   1HB   GLU  28          1HB       GLU  28   5.360 -10.125   1.446
  230   2HB   GLU  28          2HB       GLU  28   5.284 -11.735   0.773
  231   1HG   GLU  28          2HG       GLU  28   5.621 -12.712   3.011
  232   2HG   GLU  28          1HG       GLU  28   5.838 -11.109   3.710
  233    H    LYS  29           H        LYS  29   7.554 -12.656   3.248
  234    HA   LYS  29           HA       LYS  29   9.369 -14.363   3.366
  235   1HB   LYS  29          1HB       LYS  29   6.516 -15.198   2.871
  236   2HB   LYS  29          2HB       LYS  29   7.724 -16.445   3.056
  237   1HG   LYS  29          2HG       LYS  29   6.766 -16.088   5.220
  238   2HG   LYS  29          1HG       LYS  29   8.389 -15.440   5.265
  239   1HD   LYS  29          2HD       LYS  29   7.528 -13.140   5.042
  240   2HD   LYS  29          1HD       LYS  29   5.885 -13.751   4.858
  241   1HE   LYS  29          2HE       LYS  29   5.996 -14.740   7.137
  242   2HE   LYS  29          1HE       LYS  29   7.635 -14.137   7.330
  243   1HZ   LYS  29          1HZ       LYS  29   5.992 -12.020   6.528
  244   2HZ   LYS  29          2HZ       LYS  29   6.823 -12.228   7.996
  245   3HZ   LYS  29          3HZ       LYS  29   5.242 -12.823   7.825
  Start of MODEL   23
    1   1H    LYS   1          1H        LYS   1  -5.257  11.865  -3.207
    2   2H    LYS   1          2H        LYS   1  -6.262  13.140  -2.718
    3   3H    LYS   1          3H        LYS   1  -6.124  12.760  -4.362
    4    HA   LYS   1           HA       LYS   1  -7.951  11.820  -2.512
    5   1HB   LYS   1          2HB       LYS   1  -8.947  10.726  -4.514
    6   2HB   LYS   1          1HB       LYS   1  -8.353  12.305  -4.936
    7   1HG   LYS   1          2HG       LYS   1  -6.752   9.762  -5.468
    8   2HG   LYS   1          1HG       LYS   1  -7.871  10.449  -6.617
    9   1HD   LYS   1          2HD       LYS   1  -6.519  12.625  -6.506
   10   2HD   LYS   1          1HD       LYS   1  -5.323  11.741  -5.571
   11   1HE   LYS   1          2HE       LYS   1  -6.209  10.890  -8.343
   12   2HE   LYS   1          1HE       LYS   1  -4.749  11.796  -7.990
   13   1HZ   LYS   1          1HZ       LYS   1  -4.819   9.589  -6.284
   14   2HZ   LYS   1          2HZ       LYS   1  -3.736   9.919  -7.547
   15   3HZ   LYS   1          3HZ       LYS   1  -5.155   9.041  -7.855
   16    HA   PRO   2           HA       PRO   2  -6.530   7.917  -1.060
   17   1HB   PRO   2          1HB       PRO   2  -9.159   6.653  -1.715
   18   2HB   PRO   2          2HB       PRO   2  -8.358   6.848  -0.155
   19   1HG   PRO   2          2HG       PRO   2 -10.461   8.430  -0.741
   20   2HG   PRO   2          1HG       PRO   2  -9.043   9.169   0.017
   21   1HD   PRO   2          1HD       PRO   2  -9.692   9.049  -2.983
   22   2HD   PRO   2          2HD       PRO   2  -9.344  10.482  -1.987
   23    H    PHE   3           H        PHE   3  -5.986   5.840  -1.457
   24    HA   PHE   3           HA       PHE   3  -5.952   4.876  -4.294
   25   1HB   PHE   3          1HB       PHE   3  -3.709   5.020  -2.241
   26   2HB   PHE   3          2HB       PHE   3  -3.586   4.011  -3.669
   27    HD1  PHE   3           HD1      PHE   3  -3.160   4.992  -5.833
   28    HD2  PHE   3           HD2      PHE   3  -3.931   7.511  -2.483
   29    HE1  PHE   3           HE1      PHE   3  -2.442   6.936  -7.132
   30    HE2  PHE   3           HE2      PHE   3  -3.208   9.461  -3.794
   31    HZ   PHE   3           HZ       PHE   3  -2.467   9.180  -6.114
   32    H    GLN   4           H        GLN   4  -5.638   2.498  -4.405
   33    HA   GLN   4           HA       GLN   4  -6.351   1.051  -1.903
   34   1HB   GLN   4          1HB       GLN   4  -8.453   1.655  -3.250
   35   2HB   GLN   4          2HB       GLN   4  -7.835   0.648  -4.540
   36   1HG   GLN   4          2HG       GLN   4  -9.468  -0.617  -3.271
   37   2HG   GLN   4          1HG       GLN   4  -7.888  -1.316  -2.973
   38   1HE2  GLN   4          2HE2      GLN   4  -8.241  -2.105  -0.898
   39   2HE2  GLN   4          1HE2      GLN   4  -8.628  -1.148   0.447
   40    H    CYS   5           H        CYS   5  -5.747  -1.091  -1.844
   41    HA   CYS   5           HA       CYS   5  -3.684  -1.933  -3.829
   42   1HB   CYS   5          1HB       CYS   5  -3.018  -1.995  -1.475
   43   2HB   CYS   5          2HB       CYS   5  -4.419  -2.970  -1.064
   44    H    LYS   6           H        LYS   6  -4.395  -3.251  -5.368
   45    HA   LYS   6           HA       LYS   6  -6.994  -4.643  -5.012
   46   1HB   LYS   6          1HB       LYS   6  -6.363  -3.184  -7.084
   47   2HB   LYS   6          2HB       LYS   6  -5.270  -4.479  -7.524
   48   1HG   LYS   6          2HG       LYS   6  -7.271  -4.907  -8.748
   49   2HG   LYS   6          1HG       LYS   6  -7.298  -6.075  -7.447
   50   1HD   LYS   6          2HD       LYS   6  -8.787  -4.421  -6.139
   51   2HD   LYS   6          1HD       LYS   6  -8.840  -3.444  -7.589
   52   1HE   LYS   6          2HE       LYS   6 -10.817  -4.895  -7.521
   53   2HE   LYS   6          1HE       LYS   6  -9.782  -5.401  -8.847
   54   1HZ   LYS   6          1HZ       LYS   6  -8.990  -6.759  -6.533
   55   2HZ   LYS   6          2HZ       LYS   6  -9.665  -7.391  -7.958
   56   3HZ   LYS   6          3HZ       LYS   6 -10.675  -6.902  -6.683
   57    H    THR   7           H        THR   7  -4.897  -5.465  -3.488
   58    HA   THR   7           HA       THR   7  -4.315  -8.193  -4.541
   59    HB   THR   7           HB       THR   7  -2.391  -6.575  -2.768
   60    HG1  THR   7           HG1      THR   7  -1.572  -6.977  -5.270
   61   1HG2  THR   7          1HG2      THR   7  -1.995  -8.992  -4.629
   62   2HG2  THR   7          2HG2      THR   7  -2.122  -9.141  -2.884
   63   3HG2  THR   7          3HG2      THR   7  -0.775  -8.271  -3.600
   64    H    CYS   8           H        CYS   8  -4.743  -6.087  -1.699
   65    HA   CYS   8           HA       CYS   8  -5.690  -8.508  -0.177
   66   1HB   CYS   8          1HB       CYS   8  -4.887  -7.445   1.868
   67   2HB   CYS   8          2HB       CYS   8  -3.564  -7.566   0.708
   68    H    GLN   9           H        GLN   9  -5.924  -5.143  -0.694
   69    HA   GLN   9           HA       GLN   9  -7.863  -3.870  -1.161
   70   1HB   GLN   9          1HB       GLN   9  -9.390  -5.688   0.781
   71   2HB   GLN   9          2HB       GLN   9 -10.052  -4.349  -0.094
   72   1HG   GLN   9          2HG       GLN   9  -8.946  -6.836  -1.458
   73   2HG   GLN   9          1HG       GLN   9 -10.639  -6.416  -1.264
   74   1HE2  GLN   9          2HE2      GLN   9  -8.153  -6.325  -3.441
   75   2HE2  GLN   9          1HE2      GLN   9  -8.682  -5.035  -4.410
   76    H    ARG  10           H        ARG  10  -5.940  -3.027   0.166
   77    HA   ARG  10           HA       ARG  10  -6.957  -1.843   2.734
   78   1HB   ARG  10          1HB       ARG  10  -4.824  -3.189   3.006
   79   2HB   ARG  10          2HB       ARG  10  -4.060  -2.196   1.769
   80   1HG   ARG  10          2HG       ARG  10  -4.352  -0.181   3.160
   81   2HG   ARG  10          1HG       ARG  10  -5.282  -1.083   4.339
   82   1HD   ARG  10          2HD       ARG  10  -3.311  -2.400   4.961
   83   2HD   ARG  10          1HD       ARG  10  -2.358  -1.670   3.688
   84    HE   ARG  10           HE       ARG  10  -1.946  -0.497   5.853
   85   1HH1  ARG  10          2HH2      ARG  10  -4.880  -0.192   6.550
   86   2HH1  ARG  10          1HH2      ARG  10  -5.120   1.500   6.257
   87   1HH2  ARG  10          1HH1      ARG  10  -2.176   1.813   4.396
   88   2HH2  ARG  10          2HH1      ARG  10  -3.558   2.655   5.014
   89    H    LYS  11           H        LYS  11  -6.523   0.498   2.878
   90    HA   LYS  11           HA       LYS  11  -6.266   1.703   0.152
   91   1HB   LYS  11          1HB       LYS  11  -7.740   3.507   0.931
   92   2HB   LYS  11          2HB       LYS  11  -8.514   1.972   1.281
   93   1HG   LYS  11          2HG       LYS  11  -7.649   2.109   3.645
   94   2HG   LYS  11          1HG       LYS  11  -6.963   3.684   3.277
   95   1HD   LYS  11          2HD       LYS  11  -9.272   4.479   2.619
   96   2HD   LYS  11          1HD       LYS  11  -9.921   2.957   3.205
   97   1HE   LYS  11          2HE       LYS  11  -8.369   4.985   4.879
   98   2HE   LYS  11          1HE       LYS  11 -10.097   4.676   4.958
   99   1HZ   LYS  11          1HZ       LYS  11  -8.795   2.235   5.256
  100   2HZ   LYS  11          2HZ       LYS  11  -9.707   3.092   6.403
  101   3HZ   LYS  11          3HZ       LYS  11  -8.032   3.348   6.286
  102    H    PHE  12           H        PHE  12  -5.392   3.885   0.094
  103    HA   PHE  12           HA       PHE  12  -3.491   4.590   2.263
  104   1HB   PHE  12          1HB       PHE  12  -2.683   4.207  -0.680
  105   2HB   PHE  12          2HB       PHE  12  -1.628   4.760   0.602
  106    HD1  PHE  12           HD1      PHE  12  -1.043   3.203   2.508
  107    HD2  PHE  12           HD2      PHE  12  -3.375   1.893  -0.810
  108    HE1  PHE  12           HE1      PHE  12  -0.719   0.862   3.188
  109    HE2  PHE  12           HE2      PHE  12  -3.043  -0.444  -0.112
  110    HZ   PHE  12           HZ       PHE  12  -1.730  -0.943   1.870
  111    H    SER  13           H        SER  13  -2.298   6.648   1.396
  112    HA   SER  13           HA       SER  13  -4.437   8.594   0.662
  113   1HB   SER  13          2HB       SER  13  -2.924  10.258   1.813
  114   2HB   SER  13          1HB       SER  13  -3.422   8.952   2.875
  115    HG   SER  13           HG       SER  13  -1.399   8.427   3.021
  116    H    ARG  14           H        ARG  14  -1.146   7.613  -0.053
  117    HA   ARG  14           HA       ARG  14  -1.185   9.323  -2.521
  118   1HB   ARG  14          1HB       ARG  14   1.328   8.304  -1.170
  119   2HB   ARG  14          2HB       ARG  14   1.175   9.562  -2.398
  120   1HG   ARG  14          2HG       ARG  14  -0.018  10.982  -0.701
  121   2HG   ARG  14          1HG       ARG  14   0.334   9.774   0.516
  122   1HD   ARG  14          2HD       ARG  14   2.252  11.121   0.761
  123   2HD   ARG  14          1HD       ARG  14   2.834  10.018  -0.448
  124    HE   ARG  14           HE       ARG  14   1.698  12.701  -1.126
  125   1HH1  ARG  14          1HH1      ARG  14   4.662  12.374  -1.025
  126   2HH1  ARG  14          2HH1      ARG  14   5.048  12.042  -2.683
  127   1HH2  ARG  14          2HH2      ARG  14   1.748  11.256  -3.525
  128   2HH2  ARG  14          1HH2      ARG  14   3.371  11.397  -4.124
  129    H    SER  15           H        SER  15   0.612   8.407  -4.027
  130    HA   SER  15           HA       SER  15  -0.189   5.638  -4.713
  131   1HB   SER  15          2HB       SER  15   0.888   6.187  -6.928
  132   2HB   SER  15          1HB       SER  15  -0.304   7.389  -6.498
  133    HG   SER  15           HG       SER  15   1.945   8.103  -5.303
  134    H    ASP  16           H        ASP  16   2.610   7.575  -3.810
  135    HA   ASP  16           HA       ASP  16   4.550   5.437  -4.210
  136   1HB   ASP  16          1HB       ASP  16   6.132   6.969  -3.071
  137   2HB   ASP  16          2HB       ASP  16   5.211   7.863  -4.273
  138    H    HIS  17           H        HIS  17   2.068   5.790  -2.172
  139    HA   HIS  17           HA       HIS  17   3.346   4.571   0.199
  140   1HB   HIS  17          1HB       HIS  17   0.547   5.734  -0.350
  141   2HB   HIS  17          2HB       HIS  17   0.909   4.862   1.127
  142    HD1  HIS  17           HD1      HIS  17   0.250   7.371   2.066
  143    HD2  HIS  17           HD2      HIS  17   3.914   7.114   0.287
  144    HE1  HIS  17           HE1      HIS  17   1.532   9.312   2.823
  145    H    LEU  18           H        LEU  18   0.678   4.230  -2.092
  146    HA   LEU  18           HA       LEU  18  -0.099   1.596  -1.563
  147   1HB   LEU  18          1HB       LEU  18  -1.273   3.161  -3.121
  148   2HB   LEU  18          2HB       LEU  18   0.040   2.995  -4.285
  149    HG   LEU  18           HG       LEU  18  -0.482   0.475  -4.346
  150   1HD1  LEU  18          1HD1      LEU  18  -2.931   1.330  -2.790
  151   2HD1  LEU  18          2HD1      LEU  18  -1.636   0.316  -2.164
  152   3HD1  LEU  18          3HD1      LEU  18  -2.628  -0.250  -3.481
  153   1HD2  LEU  18          1HD2      LEU  18  -1.348   2.054  -6.096
  154   2HD2  LEU  18          2HD2      LEU  18  -2.756   2.376  -5.098
  155   3HD2  LEU  18          3HD2      LEU  18  -2.500   0.772  -5.762
  156    H    LYS  19           H        LYS  19   2.423   2.739  -3.806
  157    HA   LYS  19           HA       LYS  19   3.287   0.195  -4.740
  158   1HB   LYS  19          1HB       LYS  19   4.859   2.788  -4.349
  159   2HB   LYS  19          2HB       LYS  19   5.416   1.423  -5.302
  160   1HG   LYS  19          2HG       LYS  19   3.566   1.632  -6.845
  161   2HG   LYS  19          1HG       LYS  19   2.748   2.803  -5.841
  162   1HD   LYS  19          2HD       LYS  19   4.767   4.343  -6.177
  163   2HD   LYS  19          1HD       LYS  19   5.378   3.180  -7.342
  164   1HE   LYS  19          2HE       LYS  19   2.680   4.596  -7.524
  165   2HE   LYS  19          1HE       LYS  19   4.105   4.996  -8.471
  166   1HZ   LYS  19          1HZ       LYS  19   3.635   2.260  -8.734
  167   2HZ   LYS  19          2HZ       LYS  19   3.529   3.468  -9.920
  168   3HZ   LYS  19          3HZ       LYS  19   2.164   3.067  -8.992
  169    H    THR  20           H        THR  20   4.700   2.205  -2.138
  170    HA   THR  20           HA       THR  20   6.594   0.357  -1.211
  171    HB   THR  20           HB       THR  20   5.012   2.468   0.402
  172    HG1  THR  20           HG1      THR  20   6.187   3.587  -0.931
  173   1HG2  THR  20          1HG2      THR  20   7.798   1.250   0.924
  174   2HG2  THR  20          2HG2      THR  20   6.392   0.828   1.889
  175   3HG2  THR  20          3HG2      THR  20   7.000   2.472   1.900
  176    H    HIS  21           H        HIS  21   3.211   0.354  -0.804
  177    HA   HIS  21           HA       HIS  21   3.167  -1.594   1.371
  178   1HB   HIS  21          1HB       HIS  21   1.357  -0.024   1.328
  179   2HB   HIS  21          2HB       HIS  21   1.018  -0.316  -0.361
  180    HD1  HIS  21           HD1      HIS  21   0.647  -2.021   2.944
  181    HD2  HIS  21           HD2      HIS  21  -0.503  -2.558  -0.950
  182    HE1  HIS  21           HE1      HIS  21  -0.995  -3.872   2.943
  183    H    THR  22           H        THR  22   2.096  -1.754  -2.063
  184    HA   THR  22           HA       THR  22   1.312  -4.342  -2.304
  185    HB   THR  22           HB       THR  22   2.212  -3.989  -4.748
  186    HG1  THR  22           HG1      THR  22   2.575  -1.452  -3.648
  187   1HG2  THR  22          1HG2      THR  22   0.414  -1.818  -3.546
  188   2HG2  THR  22          2HG2      THR  22  -0.167  -3.383  -4.086
  189   3HG2  THR  22          3HG2      THR  22   0.515  -2.254  -5.245
  190    H    ARG  23           H        ARG  23   4.597  -3.128  -2.345
  191    HA   ARG  23           HA       ARG  23   5.775  -5.530  -3.212
  192   1HB   ARG  23          1HB       ARG  23   7.920  -4.649  -2.215
  193   2HB   ARG  23          2HB       ARG  23   7.099  -3.475  -3.218
  194   1HG   ARG  23          2HG       ARG  23   6.647  -2.078  -1.488
  195   2HG   ARG  23          1HG       ARG  23   6.247  -3.369  -0.374
  196   1HD   ARG  23          2HD       ARG  23   9.109  -2.660  -1.154
  197   2HD   ARG  23          1HD       ARG  23   8.303  -2.085   0.301
  198    HE   ARG  23           HE       ARG  23   8.021  -4.529   0.927
  199   1HH1  ARG  23          2HH2      ARG  23  10.919  -3.367   0.865
  200   2HH1  ARG  23          1HH2      ARG  23  11.774  -4.744   0.262
  201   1HH2  ARG  23          1HH1      ARG  23   8.837  -6.348  -0.756
  202   2HH2  ARG  23          2HH1      ARG  23  10.566  -6.488  -0.713
  203    H    THR  24           H        THR  24   3.934  -5.521  -0.610
  204    HA   THR  24           HA       THR  24   5.709  -7.160   1.128
  205    HB   THR  24           HB       THR  24   4.401  -5.150   2.163
  206    HG1  THR  24           HG1      THR  24   4.802  -7.699   2.895
  207   1HG2  THR  24          1HG2      THR  24   2.067  -7.166   1.986
  208   2HG2  THR  24          2HG2      THR  24   2.115  -5.719   1.000
  209   3HG2  THR  24          3HG2      THR  24   2.040  -5.590   2.749
  210    H    HIS  25           H        HIS  25   3.438  -7.395  -1.295
  211    HA   HIS  25           HA       HIS  25   2.323 -10.004  -0.403
  212   1HB   HIS  25          1HB       HIS  25   1.577  -8.205  -2.750
  213   2HB   HIS  25          2HB       HIS  25   0.768  -9.704  -2.331
  214    HD1  HIS  25           HD1      HIS  25   0.211  -9.319   0.586
  215    HD2  HIS  25           HD2      HIS  25  -0.165  -6.230  -2.060
  216    HE1  HIS  25           HE1      HIS  25  -1.336  -7.699   1.628
  217    H    THR  26           H        THR  26   3.674  -8.403  -3.257
  218    HA   THR  26           HA       THR  26   5.091 -10.959  -3.962
  219    HB   THR  26           HB       THR  26   3.840  -9.081  -6.079
  220    HG1  THR  26           HG1      THR  26   2.726 -10.885  -4.362
  221   1HG2  THR  26          1HG2      THR  26   4.618 -12.067  -6.085
  222   2HG2  THR  26          2HG2      THR  26   5.653 -10.833  -6.773
  223   3HG2  THR  26          3HG2      THR  26   4.078 -11.150  -7.479
  224    H    GLY  27           H        GLY  27   6.224  -9.086  -2.460
  225   1HA   GLY  27          1HA       GLY  27   8.388  -8.009  -4.199
  226   2HA   GLY  27          2HA       GLY  27   7.616  -6.924  -3.045
  227    H    GLU  28           H        GLU  28   7.193  -8.637  -1.002
  228    HA   GLU  28           HA       GLU  28   9.929  -9.141   0.056
  229   1HB   GLU  28          1HB       GLU  28   8.712  -7.474   1.295
  230   2HB   GLU  28          2HB       GLU  28   7.244  -8.414   1.268
  231   1HG   GLU  28          2HG       GLU  28   9.683  -9.425   2.760
  232   2HG   GLU  28          1HG       GLU  28   8.617  -8.250   3.492
  233    H    LYS  29           H        LYS  29  10.083 -10.901   1.580
  234    HA   LYS  29           HA       LYS  29   8.522 -13.321   0.787
  235   1HB   LYS  29          1HB       LYS  29  10.699 -14.556   1.073
  236   2HB   LYS  29          2HB       LYS  29  10.727 -13.379  -0.221
  237   1HG   LYS  29          2HG       LYS  29  11.612 -11.882   2.036
  238   2HG   LYS  29          1HG       LYS  29  12.298 -13.469   2.298
  239   1HD   LYS  29          2HD       LYS  29  13.355 -13.431   0.070
  240   2HD   LYS  29          1HD       LYS  29  12.605 -11.885  -0.282
  241   1HE   LYS  29          2HE       LYS  29  13.840 -10.859   1.642
  242   2HE   LYS  29          1HE       LYS  29  14.622 -12.404   1.951
  243   1HZ   LYS  29          1HZ       LYS  29  14.923 -11.785  -0.761
  244   2HZ   LYS  29          2HZ       LYS  29  16.117 -11.915   0.438
  245   3HZ   LYS  29          3HZ       LYS  29  15.364 -10.422   0.145
  Start of MODEL   24
    1   1H    LYS   1          1H        LYS   1  -6.994  11.830  -2.044
    2   2H    LYS   1          2H        LYS   1  -8.346  12.432  -2.872
    3   3H    LYS   1          3H        LYS   1  -6.786  12.925  -3.324
    4    HA   LYS   1           HA       LYS   1  -8.270  10.739  -4.260
    5   1HB   LYS   1          2HB       LYS   1  -5.404  11.627  -4.781
    6   2HB   LYS   1          1HB       LYS   1  -6.306  10.528  -5.812
    7   1HG   LYS   1          2HG       LYS   1  -8.017  12.354  -6.180
    8   2HG   LYS   1          1HG       LYS   1  -6.994  13.451  -5.270
    9   1HD   LYS   1          2HD       LYS   1  -6.131  11.985  -7.801
   10   2HD   LYS   1          1HD       LYS   1  -6.655  13.655  -7.743
   11   1HE   LYS   1          2HE       LYS   1  -4.753  14.213  -6.232
   12   2HE   LYS   1          1HE       LYS   1  -4.225  12.535  -6.261
   13   1HZ   LYS   1          1HZ       LYS   1  -4.551  13.370  -8.892
   14   2HZ   LYS   1          2HZ       LYS   1  -3.124  12.928  -8.084
   15   3HZ   LYS   1          3HZ       LYS   1  -3.635  14.548  -8.080
   16    HA   PRO   2           HA       PRO   2  -6.245   7.898  -1.104
   17   1HB   PRO   2          1HB       PRO   2  -8.985   6.791  -1.697
   18   2HB   PRO   2          2HB       PRO   2  -8.048   6.737  -0.195
   19   1HG   PRO   2          2HG       PRO   2  -9.961   8.573  -0.355
   20   2HG   PRO   2          1HG       PRO   2  -8.378   9.119   0.213
   21   1HD   PRO   2          1HD       PRO   2  -9.528   9.320  -2.627
   22   2HD   PRO   2          2HD       PRO   2  -8.757  10.598  -1.656
   23    H    PHE   3           H        PHE   3  -5.806   5.710  -1.435
   24    HA   PHE   3           HA       PHE   3  -5.823   4.779  -4.281
   25   1HB   PHE   3          1HB       PHE   3  -3.534   4.954  -2.279
   26   2HB   PHE   3          2HB       PHE   3  -3.452   3.875  -3.655
   27    HD1  PHE   3           HD1      PHE   3  -3.321   4.790  -5.941
   28    HD2  PHE   3           HD2      PHE   3  -3.576   7.401  -2.585
   29    HE1  PHE   3           HE1      PHE   3  -2.686   6.686  -7.364
   30    HE2  PHE   3           HE2      PHE   3  -2.946   9.297  -4.017
   31    HZ   PHE   3           HZ       PHE   3  -2.507   8.941  -6.403
   32    H    GLN   4           H        GLN   4  -5.938   2.504  -4.488
   33    HA   GLN   4           HA       GLN   4  -6.600   1.039  -1.956
   34   1HB   GLN   4          1HB       GLN   4  -8.641   1.584  -3.366
   35   2HB   GLN   4          2HB       GLN   4  -7.926   0.677  -4.687
   36   1HG   GLN   4          2HG       GLN   4  -9.544  -0.734  -3.582
   37   2HG   GLN   4          1HG       GLN   4  -7.939  -1.379  -3.297
   38   1HE2  GLN   4          2HE2      GLN   4  -7.698  -2.026  -1.235
   39   2HE2  GLN   4          1HE2      GLN   4  -8.393  -1.313   0.142
   40    H    CYS   5           H        CYS   5  -5.765  -0.994  -1.746
   41    HA   CYS   5           HA       CYS   5  -3.687  -1.794  -3.722
   42   1HB   CYS   5          1HB       CYS   5  -3.158  -1.874  -1.307
   43   2HB   CYS   5          2HB       CYS   5  -4.472  -3.008  -1.052
   44    H    LYS   6           H        LYS   6  -4.411  -3.042  -5.313
   45    HA   LYS   6           HA       LYS   6  -6.996  -4.498  -5.044
   46   1HB   LYS   6          1HB       LYS   6  -5.189  -3.994  -7.454
   47   2HB   LYS   6          2HB       LYS   6  -6.777  -4.713  -7.536
   48   1HG   LYS   6          2HG       LYS   6  -6.231  -1.903  -6.450
   49   2HG   LYS   6          1HG       LYS   6  -6.666  -2.217  -8.109
   50   1HD   LYS   6          2HD       LYS   6  -8.426  -3.013  -5.741
   51   2HD   LYS   6          1HD       LYS   6  -8.603  -1.519  -6.635
   52   1HE   LYS   6          2HE       LYS   6  -8.989  -2.814  -8.734
   53   2HE   LYS   6          1HE       LYS   6  -8.846  -4.317  -7.840
   54   1HZ   LYS   6          1HZ       LYS   6 -10.695  -2.683  -6.529
   55   2HZ   LYS   6          2HZ       LYS   6 -10.944  -4.174  -7.303
   56   3HZ   LYS   6          3HZ       LYS   6 -11.089  -2.727  -8.182
   57    H    THR   7           H        THR   7  -4.841  -5.316  -3.551
   58    HA   THR   7           HA       THR   7  -4.265  -8.004  -4.684
   59    HB   THR   7           HB       THR   7  -2.335  -6.380  -2.921
   60    HG1  THR   7           HG1      THR   7  -1.599  -6.765  -5.478
   61   1HG2  THR   7          1HG2      THR   7  -1.967  -8.784  -4.810
   62   2HG2  THR   7          2HG2      THR   7  -2.015  -8.929  -3.058
   63   3HG2  THR   7          3HG2      THR   7  -0.713  -8.046  -3.836
   64    H    CYS   8           H        CYS   8  -4.589  -5.972  -1.754
   65    HA   CYS   8           HA       CYS   8  -5.549  -8.439  -0.312
   66   1HB   CYS   8          1HB       CYS   8  -4.695  -7.460   1.746
   67   2HB   CYS   8          2HB       CYS   8  -3.392  -7.593   0.565
   68    H    GLN   9           H        GLN   9  -5.873  -5.105  -0.925
   69    HA   GLN   9           HA       GLN   9  -7.778  -3.787  -1.204
   70   1HB   GLN   9          1HB       GLN   9  -9.295  -5.898   0.423
   71   2HB   GLN   9          2HB       GLN   9  -9.959  -4.404  -0.117
   72   1HG   GLN   9          2HG       GLN   9 -10.532  -6.099  -1.765
   73   2HG   GLN   9          1HG       GLN   9  -9.474  -4.898  -2.472
   74   1HE2  GLN   9          2HE2      GLN   9  -7.447  -5.597  -3.294
   75   2HE2  GLN   9          1HE2      GLN   9  -6.975  -7.229  -3.321
   76    H    ARG  10           H        ARG  10  -6.018  -2.862   0.080
   77    HA   ARG  10           HA       ARG  10  -6.984  -1.876   2.741
   78   1HB   ARG  10          1HB       ARG  10  -4.855  -3.288   2.773
   79   2HB   ARG  10          2HB       ARG  10  -4.108  -2.092   1.720
   80   1HG   ARG  10          2HG       ARG  10  -4.332  -0.361   3.395
   81   2HG   ARG  10          1HG       ARG  10  -5.318  -1.395   4.416
   82   1HD   ARG  10          2HD       ARG  10  -3.398  -2.966   4.690
   83   2HD   ARG  10          1HD       ARG  10  -2.391  -1.944   3.691
   84    HE   ARG  10           HE       ARG  10  -2.009  -1.393   6.071
   85   1HH1  ARG  10          2HH2      ARG  10  -4.888  -1.373   6.892
   86   2HH1  ARG  10          1HH2      ARG  10  -5.195   0.324   7.068
   87   1HH2  ARG  10          1HH1      ARG  10  -2.342   1.229   5.237
   88   2HH2  ARG  10          2HH1      ARG  10  -3.719   1.835   6.098
   89    H    LYS  11           H        LYS  11  -6.669   0.493   2.971
   90    HA   LYS  11           HA       LYS  11  -6.379   1.779   0.283
   91   1HB   LYS  11          1HB       LYS  11  -8.661   1.867   1.362
   92   2HB   LYS  11          2HB       LYS  11  -7.964   2.727   2.718
   93   1HG   LYS  11          2HG       LYS  11  -7.397   4.646   1.264
   94   2HG   LYS  11          1HG       LYS  11  -7.904   3.751  -0.155
   95   1HD   LYS  11          2HD       LYS  11  -9.679   5.296   0.448
   96   2HD   LYS  11          1HD       LYS  11 -10.227   3.655   0.692
   97   1HE   LYS  11          2HE       LYS  11  -9.817   3.859   3.132
   98   2HE   LYS  11          1HE       LYS  11  -9.218   5.498   2.904
   99   1HZ   LYS  11          1HZ       LYS  11 -11.700   5.276   1.647
  100   2HZ   LYS  11          2HZ       LYS  11 -11.278   6.219   2.996
  101   3HZ   LYS  11          3HZ       LYS  11 -11.844   4.632   3.211
  102    H    PHE  12           H        PHE  12  -5.404   3.824   0.191
  103    HA   PHE  12           HA       PHE  12  -3.629   4.643   2.430
  104   1HB   PHE  12          1HB       PHE  12  -2.770   4.188  -0.480
  105   2HB   PHE  12          2HB       PHE  12  -1.731   4.825   0.772
  106    HD1  PHE  12           HD1      PHE  12  -1.131   3.405   2.747
  107    HD2  PHE  12           HD2      PHE  12  -3.349   1.849  -0.543
  108    HE1  PHE  12           HE1      PHE  12  -0.684   1.114   3.518
  109    HE2  PHE  12           HE2      PHE  12  -2.887  -0.427   0.215
  110    HZ   PHE  12           HZ       PHE  12  -1.562  -0.794   2.252
  111    H    SER  13           H        SER  13  -2.323   6.601   1.394
  112    HA   SER  13           HA       SER  13  -4.370   8.648   0.690
  113   1HB   SER  13          2HB       SER  13  -2.714  10.238   1.786
  114   2HB   SER  13          1HB       SER  13  -3.340   9.023   2.881
  115    HG   SER  13           HG       SER  13  -1.381   8.283   3.053
  116    H    ARG  14           H        ARG  14  -1.033   7.634   0.009
  117    HA   ARG  14           HA       ARG  14  -1.087   9.271  -2.507
  118   1HB   ARG  14          1HB       ARG  14   1.288   8.350  -0.857
  119   2HB   ARG  14          2HB       ARG  14   1.414   9.152  -2.414
  120   1HG   ARG  14          2HG       ARG  14   0.343  11.163  -1.521
  121   2HG   ARG  14          1HG       ARG  14   0.143  10.384   0.042
  122   1HD   ARG  14          2HD       ARG  14   2.531  10.214   0.352
  123   2HD   ARG  14          1HD       ARG  14   2.891  10.656  -1.277
  124    HE   ARG  14           HE       ARG  14   1.909  12.928  -0.706
  125   1HH1  ARG  14          1HH1      ARG  14   3.106  10.852   1.875
  126   2HH1  ARG  14          2HH1      ARG  14   3.401  12.210   2.895
  127   1HH2  ARG  14          2HH2      ARG  14   2.328  14.581   0.616
  128   2HH2  ARG  14          1HH2      ARG  14   2.974  14.309   2.202
  129    H    SER  15           H        SER  15   0.362   8.421  -4.200
  130    HA   SER  15           HA       SER  15  -0.378   5.656  -4.862
  131   1HB   SER  15          2HB       SER  15   0.698   6.236  -7.086
  132   2HB   SER  15          1HB       SER  15  -0.456   7.456  -6.620
  133    HG   SER  15           HG       SER  15   1.820   8.084  -5.426
  134    H    ASP  16           H        ASP  16   2.462   7.559  -4.110
  135    HA   ASP  16           HA       ASP  16   4.423   5.491  -4.496
  136   1HB   ASP  16          1HB       ASP  16   5.805   7.120  -3.001
  137   2HB   ASP  16          2HB       ASP  16   5.186   7.790  -4.503
  138    H    HIS  17           H        HIS  17   2.184   6.429  -2.004
  139    HA   HIS  17           HA       HIS  17   3.426   4.892   0.096
  140   1HB   HIS  17          1HB       HIS  17   0.571   5.996  -0.258
  141   2HB   HIS  17          2HB       HIS  17   1.022   5.057   1.146
  142    HD1  HIS  17           HD1      HIS  17   0.308   7.828   1.850
  143    HD2  HIS  17           HD2      HIS  17   4.131   6.991   0.696
  144    HE1  HIS  17           HE1      HIS  17   1.702   9.608   2.749
  145    H    LEU  18           H        LEU  18   0.474   4.405  -1.860
  146    HA   LEU  18           HA       LEU  18  -0.162   1.794  -1.338
  147   1HB   LEU  18          1HB       LEU  18  -1.389   3.238  -2.888
  148   2HB   LEU  18          2HB       LEU  18  -0.083   3.161  -4.077
  149    HG   LEU  18           HG       LEU  18  -0.502   0.601  -4.094
  150   1HD1  LEU  18          1HD1      LEU  18  -3.022   1.446  -2.639
  151   2HD1  LEU  18          2HD1      LEU  18  -1.715   0.484  -1.954
  152   3HD1  LEU  18          3HD1      LEU  18  -2.661  -0.150  -3.275
  153   1HD2  LEU  18          1HD2      LEU  18  -1.308   2.114  -5.914
  154   2HD2  LEU  18          2HD2      LEU  18  -2.768   2.448  -4.998
  155   3HD2  LEU  18          3HD2      LEU  18  -2.472   0.833  -5.613
  156    H    LYS  19           H        LYS  19   2.216   2.823  -3.760
  157    HA   LYS  19           HA       LYS  19   3.153   0.397  -4.689
  158   1HB   LYS  19          1HB       LYS  19   3.994   2.487  -5.657
  159   2HB   LYS  19          2HB       LYS  19   4.557   3.053  -4.112
  160   1HG   LYS  19          2HG       LYS  19   6.521   2.446  -5.347
  161   2HG   LYS  19          1HG       LYS  19   6.337   1.229  -4.121
  162   1HD   LYS  19          2HD       LYS  19   6.896   0.081  -6.142
  163   2HD   LYS  19          1HD       LYS  19   5.196  -0.242  -5.878
  164   1HE   LYS  19          2HE       LYS  19   4.594   1.557  -7.524
  165   2HE   LYS  19          1HE       LYS  19   6.289   1.972  -7.689
  166   1HZ   LYS  19          1HZ       LYS  19   6.014  -0.765  -8.145
  167   2HZ   LYS  19          2HZ       LYS  19   6.463   0.458  -9.237
  168   3HZ   LYS  19          3HZ       LYS  19   4.826   0.041  -9.053
  169    H    THR  20           H        THR  20   4.863   2.192  -2.198
  170    HA   THR  20           HA       THR  20   6.602   0.296  -1.307
  171    HB   THR  20           HB       THR  20   5.089   2.313   0.491
  172    HG1  THR  20           HG1      THR  20   5.938   3.385  -1.200
  173   1HG2  THR  20          1HG2      THR  20   7.995   1.296   0.567
  174   2HG2  THR  20          2HG2      THR  20   6.773   0.706   1.681
  175   3HG2  THR  20          3HG2      THR  20   7.253   2.393   1.718
  176    H    HIS  21           H        HIS  21   3.302   0.618  -0.354
  177    HA   HIS  21           HA       HIS  21   3.301  -1.435   1.630
  178   1HB   HIS  21          1HB       HIS  21   1.425   0.010   1.777
  179   2HB   HIS  21          2HB       HIS  21   1.077  -0.055   0.062
  180    HD1  HIS  21           HD1      HIS  21   0.784  -2.213   3.109
  181    HD2  HIS  21           HD2      HIS  21  -0.486  -2.252  -0.791
  182    HE1  HIS  21           HE1      HIS  21  -0.788  -4.109   2.899
  183    H    THR  22           H        THR  22   1.904  -1.570  -1.592
  184    HA   THR  22           HA       THR  22   1.061  -4.160  -1.788
  185    HB   THR  22           HB       THR  22   2.472  -2.652  -4.044
  186    HG1  THR  22           HG1      THR  22   0.909  -1.426  -2.982
  187   1HG2  THR  22          1HG2      THR  22   0.051  -4.539  -4.067
  188   2HG2  THR  22          2HG2      THR  22   1.658  -5.060  -4.562
  189   3HG2  THR  22          3HG2      THR  22   0.812  -3.819  -5.471
  190    H    ARG  23           H        ARG  23   4.257  -2.988  -2.408
  191    HA   ARG  23           HA       ARG  23   5.646  -5.015  -3.380
  192   1HB   ARG  23          1HB       ARG  23   6.622  -2.862  -2.602
  193   2HB   ARG  23          2HB       ARG  23   6.535  -3.421  -0.941
  194   1HG   ARG  23          2HG       ARG  23   8.128  -5.228  -1.390
  195   2HG   ARG  23          1HG       ARG  23   8.077  -4.904  -3.113
  196   1HD   ARG  23          2HD       ARG  23  10.137  -4.018  -1.998
  197   2HD   ARG  23          1HD       ARG  23   9.214  -2.752  -2.785
  198    HE   ARG  23           HE       ARG  23   9.036  -3.302   0.164
  199   1HH1  ARG  23          1HH1      ARG  23   8.212  -1.209  -2.372
  200   2HH1  ARG  23          2HH1      ARG  23   8.590   0.239  -1.499
  201   1HH2  ARG  23          2HH2      ARG  23   9.951  -1.469   1.218
  202   2HH2  ARG  23          1HH2      ARG  23   9.576   0.092   0.566
  203    H    THR  24           H        THR  24   4.330  -5.157  -0.117
  204    HA   THR  24           HA       THR  24   5.863  -7.506   0.675
  205    HB   THR  24           HB       THR  24   4.927  -5.744   2.243
  206    HG1  THR  24           HG1      THR  24   3.811  -7.997   3.240
  207   1HG2  THR  24          1HG2      THR  24   2.316  -7.338   1.872
  208   2HG2  THR  24          2HG2      THR  24   2.518  -5.699   1.294
  209   3HG2  THR  24          3HG2      THR  24   2.577  -6.038   3.015
  210    H    HIS  25           H        HIS  25   3.912  -7.388  -1.657
  211    HA   HIS  25           HA       HIS  25   2.396  -9.918  -1.171
  212   1HB   HIS  25          1HB       HIS  25   1.908  -7.714  -3.241
  213   2HB   HIS  25          2HB       HIS  25   0.989  -9.198  -3.111
  214    HD1  HIS  25           HD1      HIS  25   0.529  -9.215  -0.089
  215    HD2  HIS  25           HD2      HIS  25   0.012  -5.854  -2.362
  216    HE1  HIS  25           HE1      HIS  25  -1.029  -7.766   1.166
  217    H    THR  26           H        THR  26   5.148  -8.703  -2.458
  218    HA   THR  26           HA       THR  26   5.409 -10.792  -4.577
  219    HB   THR  26           HB       THR  26   6.993  -9.193  -5.738
  220    HG1  THR  26           HG1      THR  26   7.844  -7.816  -4.412
  221   1HG2  THR  26          1HG2      THR  26   4.484  -7.649  -4.852
  222   2HG2  THR  26          2HG2      THR  26   4.487  -8.792  -6.189
  223   3HG2  THR  26          3HG2      THR  26   5.447  -7.325  -6.281
  224    H    GLY  27           H        GLY  27   6.964  -8.862  -2.197
  225   1HA   GLY  27          1HA       GLY  27   9.154  -9.081  -1.283
  226   2HA   GLY  27          2HA       GLY  27   8.153 -10.194  -0.384
  227    H    GLU  28           H        GLU  28   9.630 -10.411  -3.558
  228    HA   GLU  28           HA       GLU  28  11.101 -12.895  -2.713
  229   1HB   GLU  28          1HB       GLU  28   9.336 -13.298  -4.438
  230   2HB   GLU  28          2HB       GLU  28  10.055 -12.077  -5.472
  231   1HG   GLU  28          2HG       GLU  28  12.161 -13.438  -5.560
  232   2HG   GLU  28          1HG       GLU  28  11.414 -14.663  -4.549
  233    H    LYS  29           H        LYS  29  13.221 -12.744  -2.801
  234    HA   LYS  29           HA       LYS  29  15.074 -11.103  -2.622
  235   1HB   LYS  29          1HB       LYS  29  16.538 -12.020  -4.456
  236   2HB   LYS  29          2HB       LYS  29  15.746 -13.235  -3.477
  237   1HG   LYS  29          2HG       LYS  29  14.131 -13.709  -5.163
  238   2HG   LYS  29          1HG       LYS  29  14.529 -12.279  -6.106
  239   1HD   LYS  29          2HD       LYS  29  16.789 -13.249  -6.559
  240   2HD   LYS  29          1HD       LYS  29  16.362 -14.674  -5.624
  241   1HE   LYS  29          2HE       LYS  29  14.861 -13.727  -8.107
  242   2HE   LYS  29          1HE       LYS  29  16.044 -15.026  -8.093
  243   1HZ   LYS  29          1HZ       LYS  29  14.182 -15.506  -6.060
  244   2HZ   LYS  29          2HZ       LYS  29  14.477 -16.414  -7.463
  245   3HZ   LYS  29          3HZ       LYS  29  13.326 -15.163  -7.485
  Start of MODEL   25
    1   1H    LYS   1          1H        LYS   1  -8.235  11.622  -1.565
    2   2H    LYS   1          2H        LYS   1  -9.266  12.097  -2.830
    3   3H    LYS   1          3H        LYS   1  -7.858  12.981  -2.506
    4    HA   LYS   1           HA       LYS   1  -8.192  10.804  -4.230
    5   1HB   LYS   1          2HB       LYS   1  -6.848  12.893  -4.575
    6   2HB   LYS   1          1HB       LYS   1  -5.721  12.360  -3.345
    7   1HG   LYS   1          2HG       LYS   1  -4.993  10.477  -4.716
    8   2HG   LYS   1          1HG       LYS   1  -6.306  10.732  -5.854
    9   1HD   LYS   1          2HD       LYS   1  -5.367  12.847  -6.591
   10   2HD   LYS   1          1HD       LYS   1  -4.196  12.850  -5.287
   11   1HE   LYS   1          2HE       LYS   1  -3.219  12.170  -7.508
   12   2HE   LYS   1          1HE       LYS   1  -3.001  10.960  -6.262
   13   1HZ   LYS   1          1HZ       LYS   1  -5.445  10.489  -7.571
   14   2HZ   LYS   1          2HZ       LYS   1  -4.054   9.518  -7.537
   15   3HZ   LYS   1          3HZ       LYS   1  -4.238  10.696  -8.745
   16    HA   PRO   2           HA       PRO   2  -6.590   7.902  -0.943
   17   1HB   PRO   2          1HB       PRO   2  -8.729   6.385  -0.575
   18   2HB   PRO   2          2HB       PRO   2  -8.713   8.009   0.124
   19   1HG   PRO   2          2HG       PRO   2  -9.958   7.135  -2.538
   20   2HG   PRO   2          1HG       PRO   2 -10.737   8.020  -1.222
   21   1HD   PRO   2          1HD       PRO   2  -9.605   9.326  -3.379
   22   2HD   PRO   2          2HD       PRO   2  -9.634  10.056  -1.759
   23    H    PHE   3           H        PHE   3  -5.942   5.896  -1.330
   24    HA   PHE   3           HA       PHE   3  -6.238   4.775  -4.096
   25   1HB   PHE   3          1HB       PHE   3  -3.819   4.889  -2.261
   26   2HB   PHE   3          2HB       PHE   3  -3.875   3.884  -3.699
   27    HD1  PHE   3           HD1      PHE   3  -3.616   4.874  -5.890
   28    HD2  PHE   3           HD2      PHE   3  -3.830   7.359  -2.432
   29    HE1  PHE   3           HE1      PHE   3  -2.833   6.788  -7.213
   30    HE2  PHE   3           HE2      PHE   3  -3.053   9.271  -3.766
   31    HZ   PHE   3           HZ       PHE   3  -2.554   8.976  -6.156
   32    H    GLN   4           H        GLN   4  -5.976   2.459  -4.163
   33    HA   GLN   4           HA       GLN   4  -6.364   1.046  -1.581
   34   1HB   GLN   4          1HB       GLN   4  -8.650   1.502  -2.532
   35   2HB   GLN   4          2HB       GLN   4  -8.175   0.694  -4.017
   36   1HG   GLN   4          2HG       GLN   4  -7.802  -1.440  -2.743
   37   2HG   GLN   4          1HG       GLN   4  -8.217  -0.621  -1.247
   38   1HE2  GLN   4          2HE2      GLN   4 -10.215  -1.376  -0.634
   39   2HE2  GLN   4          1HE2      GLN   4 -11.550  -1.562  -1.667
   40    H    CYS   5           H        CYS   5  -5.719  -1.099  -1.654
   41    HA   CYS   5           HA       CYS   5  -3.762  -1.704  -3.800
   42   1HB   CYS   5          1HB       CYS   5  -3.074  -2.130  -1.528
   43   2HB   CYS   5          2HB       CYS   5  -4.504  -3.113  -1.226
   44    H    LYS   6           H        LYS   6  -3.897  -3.351  -5.182
   45    HA   LYS   6           HA       LYS   6  -6.600  -4.545  -5.610
   46   1HB   LYS   6          1HB       LYS   6  -5.740  -4.925  -7.942
   47   2HB   LYS   6          2HB       LYS   6  -5.769  -3.236  -7.488
   48   1HG   LYS   6          2HG       LYS   6  -3.399  -3.151  -7.099
   49   2HG   LYS   6          1HG       LYS   6  -3.221  -4.882  -7.129
   50   1HD   LYS   6          2HD       LYS   6  -4.038  -3.173  -9.530
   51   2HD   LYS   6          1HD       LYS   6  -2.408  -3.753  -9.238
   52   1HE   LYS   6          2HE       LYS   6  -4.864  -5.516  -9.721
   53   2HE   LYS   6          1HE       LYS   6  -3.524  -5.253 -10.819
   54   1HZ   LYS   6          1HZ       LYS   6  -2.419  -6.053  -8.414
   55   2HZ   LYS   6          2HZ       LYS   6  -2.491  -6.922  -9.872
   56   3HZ   LYS   6          3HZ       LYS   6  -3.726  -7.091  -8.714
   57    H    THR   7           H        THR   7  -4.724  -5.490  -3.650
   58    HA   THR   7           HA       THR   7  -4.388  -8.282  -4.625
   59    HB   THR   7           HB       THR   7  -2.395  -6.813  -2.802
   60    HG1  THR   7           HG1      THR   7  -1.848  -6.041  -4.690
   61   1HG2  THR   7          1HG2      THR   7  -2.233  -9.417  -4.434
   62   2HG2  THR   7          2HG2      THR   7  -2.487  -9.403  -2.696
   63   3HG2  THR   7          3HG2      THR   7  -0.987  -8.801  -3.370
   64    H    CYS   8           H        CYS   8  -4.775  -6.106  -1.840
   65    HA   CYS   8           HA       CYS   8  -6.025  -8.413  -0.379
   66   1HB   CYS   8          1HB       CYS   8  -5.217  -7.373   1.698
   67   2HB   CYS   8          2HB       CYS   8  -3.888  -7.779   0.606
   68    H    GLN   9           H        GLN   9  -5.959  -5.034  -0.857
   69    HA   GLN   9           HA       GLN   9  -7.739  -3.542  -1.306
   70   1HB   GLN   9          1HB       GLN   9  -9.547  -5.526   0.261
   71   2HB   GLN   9          2HB       GLN   9 -10.019  -3.920  -0.165
   72   1HG   GLN   9          2HG       GLN   9 -10.815  -5.471  -1.888
   73   2HG   GLN   9          1HG       GLN   9  -9.700  -4.296  -2.553
   74   1HE2  GLN   9          2HE2      GLN   9  -7.637  -5.047  -3.323
   75   2HE2  GLN   9          1HE2      GLN   9  -7.305  -6.698  -3.529
   76    H    ARG  10           H        ARG  10  -5.827  -3.018   0.094
   77    HA   ARG  10           HA       ARG  10  -6.652  -2.034   2.799
   78   1HB   ARG  10          1HB       ARG  10  -4.513  -3.395   2.692
   79   2HB   ARG  10          2HB       ARG  10  -3.878  -2.269   1.498
   80   1HG   ARG  10          2HG       ARG  10  -3.897  -0.438   3.120
   81   2HG   ARG  10          1HG       ARG  10  -4.759  -1.423   4.292
   82   1HD   ARG  10          2HD       ARG  10  -2.891  -2.846   4.646
   83   2HD   ARG  10          1HD       ARG  10  -2.039  -2.266   3.236
   84    HE   ARG  10           HE       ARG  10  -1.917  -0.020   4.441
   85   1HH1  ARG  10          1HH1      ARG  10  -1.593  -3.106   5.928
   86   2HH1  ARG  10          2HH1      ARG  10  -1.130  -2.457   7.461
   87   1HH2  ARG  10          2HH2      ARG  10  -1.597   0.856   6.461
   88   2HH2  ARG  10          1HH2      ARG  10  -1.128  -0.177   7.771
   89    H    LYS  11           H        LYS  11  -6.099   0.324   3.096
   90    HA   LYS  11           HA       LYS  11  -6.262   1.693   0.447
   91   1HB   LYS  11          1HB       LYS  11  -7.592   3.455   1.630
   92   2HB   LYS  11          2HB       LYS  11  -8.308   1.874   1.894
   93   1HG   LYS  11          2HG       LYS  11  -6.912   1.747   4.078
   94   2HG   LYS  11          1HG       LYS  11  -6.538   3.440   3.833
   95   1HD   LYS  11          2HD       LYS  11  -8.958   3.998   3.871
   96   2HD   LYS  11          1HD       LYS  11  -9.336   2.309   4.146
   97   1HE   LYS  11          2HE       LYS  11  -7.652   4.071   5.996
   98   2HE   LYS  11          1HE       LYS  11  -9.297   3.542   6.308
   99   1HZ   LYS  11          1HZ       LYS  11  -7.750   1.293   5.730
  100   2HZ   LYS  11          2HZ       LYS  11  -8.517   1.713   7.186
  101   3HZ   LYS  11          3HZ       LYS  11  -6.925   2.218   6.888
  102    H    PHE  12           H        PHE  12  -5.391   3.891   0.334
  103    HA   PHE  12           HA       PHE  12  -3.257   4.557   2.264
  104   1HB   PHE  12          1HB       PHE  12  -2.779   4.106  -0.735
  105   2HB   PHE  12          2HB       PHE  12  -1.578   4.714   0.377
  106    HD1  PHE  12           HD1      PHE  12  -0.947   3.265   2.396
  107    HD2  PHE  12           HD2      PHE  12  -3.269   1.739  -0.848
  108    HE1  PHE  12           HE1      PHE  12  -0.498   0.968   3.138
  109    HE2  PHE  12           HE2      PHE  12  -2.801  -0.546  -0.103
  110    HZ   PHE  12           HZ       PHE  12  -1.434  -0.918   1.884
  111    H    SER  13           H        SER  13  -2.194   6.638   1.448
  112    HA   SER  13           HA       SER  13  -4.361   8.573   0.772
  113   1HB   SER  13          2HB       SER  13  -2.817  10.237   1.935
  114   2HB   SER  13          1HB       SER  13  -3.354   8.942   2.985
  115    HG   SER  13           HG       SER  13  -1.342   8.378   3.152
  116    H    ARG  14           H        ARG  14  -1.035   7.718   0.110
  117    HA   ARG  14           HA       ARG  14  -1.034   9.461  -2.325
  118   1HB   ARG  14          1HB       ARG  14   1.265   8.363  -0.671
  119   2HB   ARG  14          2HB       ARG  14   1.452   9.294  -2.156
  120   1HG   ARG  14          2HG       ARG  14   0.483  11.262  -1.138
  121   2HG   ARG  14          1HG       ARG  14   0.024  10.363   0.298
  122   1HD   ARG  14          2HD       ARG  14   2.336   9.990   0.900
  123   2HD   ARG  14          1HD       ARG  14   2.944  10.623  -0.591
  124    HE   ARG  14           HE       ARG  14   2.014  12.865   0.169
  125   1HH1  ARG  14          1HH1      ARG  14   0.484  11.531   2.449
  126   2HH1  ARG  14          2HH1      ARG  14   1.449  11.984   3.814
  127   1HH2  ARG  14          2HH2      ARG  14   4.175  12.918   1.810
  128   2HH2  ARG  14          1HH2      ARG  14   3.604  12.792   3.441
  129    H    SER  15           H        SER  15   0.446   8.599  -4.025
  130    HA   SER  15           HA       SER  15  -0.399   5.859  -4.725
  131   1HB   SER  15          2HB       SER  15   0.561   6.426  -6.969
  132   2HB   SER  15          1HB       SER  15  -0.453   7.740  -6.429
  133    HG   SER  15           HG       SER  15   1.927   8.156  -5.367
  134    H    ASP  16           H        ASP  16   2.466   7.701  -3.900
  135    HA   ASP  16           HA       ASP  16   4.443   5.709  -4.397
  136   1HB   ASP  16          1HB       ASP  16   5.749   7.164  -2.655
  137   2HB   ASP  16          2HB       ASP  16   5.212   7.976  -4.121
  138    H    HIS  17           H        HIS  17   2.246   6.455  -1.812
  139    HA   HIS  17           HA       HIS  17   3.391   4.694   0.118
  140   1HB   HIS  17          1HB       HIS  17   0.588   5.896  -0.211
  141   2HB   HIS  17          2HB       HIS  17   0.942   4.796   1.111
  142    HD1  HIS  17           HD1      HIS  17   0.246   7.455   2.086
  143    HD2  HIS  17           HD2      HIS  17   4.114   6.735   0.980
  144    HE1  HIS  17           HE1      HIS  17   1.617   9.118   3.229
  145    H    LEU  18           H        LEU  18   0.464   4.364  -1.883
  146    HA   LEU  18           HA       LEU  18  -0.216   1.745  -1.538
  147   1HB   LEU  18          1HB       LEU  18  -1.400   3.279  -3.038
  148   2HB   LEU  18          2HB       LEU  18  -0.058   3.267  -4.181
  149    HG   LEU  18           HG       LEU  18  -0.470   0.724  -4.397
  150   1HD1  LEU  18          1HD1      LEU  18  -3.042   1.409  -2.961
  151   2HD1  LEU  18          2HD1      LEU  18  -1.749   0.392  -2.335
  152   3HD1  LEU  18          3HD1      LEU  18  -2.638  -0.102  -3.755
  153   1HD2  LEU  18          1HD2      LEU  18  -1.253   2.375  -6.119
  154   2HD2  LEU  18          2HD2      LEU  18  -2.729   2.613  -5.202
  155   3HD2  LEU  18          3HD2      LEU  18  -2.399   1.058  -5.946
  156    H    LYS  19           H        LYS  19   2.265   2.815  -3.862
  157    HA   LYS  19           HA       LYS  19   3.094   0.280  -4.797
  158   1HB   LYS  19          1HB       LYS  19   4.805   2.770  -4.326
  159   2HB   LYS  19          2HB       LYS  19   5.290   1.388  -5.297
  160   1HG   LYS  19          2HG       LYS  19   3.431   1.739  -6.838
  161   2HG   LYS  19          1HG       LYS  19   2.788   3.034  -5.852
  162   1HD   LYS  19          2HD       LYS  19   4.990   4.281  -6.227
  163   2HD   LYS  19          1HD       LYS  19   5.452   3.007  -7.345
  164   1HE   LYS  19          2HE       LYS  19   4.458   4.897  -8.596
  165   2HE   LYS  19          1HE       LYS  19   3.394   3.503  -8.707
  166   1HZ   LYS  19          1HZ       LYS  19   2.728   4.936  -6.408
  167   2HZ   LYS  19          2HZ       LYS  19   1.793   4.677  -7.798
  168   3HZ   LYS  19          3HZ       LYS  19   2.800   6.038  -7.687
  169    H    THR  20           H        THR  20   4.696   2.193  -2.238
  170    HA   THR  20           HA       THR  20   6.514   0.369  -1.314
  171    HB   THR  20           HB       THR  20   4.767   2.290   0.382
  172    HG1  THR  20           HG1      THR  20   5.825   3.342  -1.188
  173   1HG2  THR  20          1HG2      THR  20   7.611   1.229   0.882
  174   2HG2  THR  20          2HG2      THR  20   6.212   0.648   1.766
  175   3HG2  THR  20          3HG2      THR  20   6.714   2.325   1.922
  176    H    HIS  21           H        HIS  21   3.157   0.437  -0.547
  177    HA   HIS  21           HA       HIS  21   3.194  -1.746   1.323
  178   1HB   HIS  21          1HB       HIS  21   1.342  -0.279   1.508
  179   2HB   HIS  21          2HB       HIS  21   0.983  -0.341  -0.206
  180    HD1  HIS  21           HD1      HIS  21   0.683  -2.507   2.834
  181    HD2  HIS  21           HD2      HIS  21  -0.521  -2.507  -1.075
  182    HE1  HIS  21           HE1      HIS  21  -0.922  -4.369   2.589
  183    H    THR  22           H        THR  22   1.941  -1.717  -2.046
  184    HA   THR  22           HA       THR  22   1.130  -4.279  -2.359
  185    HB   THR  22           HB       THR  22   1.826  -3.847  -4.824
  186    HG1  THR  22           HG1      THR  22   2.378  -1.312  -3.844
  187   1HG2  THR  22          1HG2      THR  22   0.280  -1.635  -3.386
  188   2HG2  THR  22          2HG2      THR  22  -0.433  -3.137  -3.936
  189   3HG2  THR  22          3HG2      THR  22   0.202  -1.988  -5.102
  190    H    ARG  23           H        ARG  23   4.422  -3.108  -2.437
  191    HA   ARG  23           HA       ARG  23   5.391  -5.707  -3.267
  192   1HB   ARG  23          1HB       ARG  23   7.698  -4.679  -2.912
  193   2HB   ARG  23          2HB       ARG  23   6.669  -3.748  -3.982
  194   1HG   ARG  23          2HG       ARG  23   6.078  -2.225  -2.150
  195   2HG   ARG  23          1HG       ARG  23   7.026  -3.161  -1.013
  196   1HD   ARG  23          2HD       ARG  23   8.155  -1.751  -3.467
  197   2HD   ARG  23          1HD       ARG  23   8.241  -1.139  -1.822
  198    HE   ARG  23           HE       ARG  23   9.579  -3.190  -1.253
  199   1HH1  ARG  23          2HH2      ARG  23  10.493  -1.248  -3.672
  200   2HH1  ARG  23          1HH2      ARG  23  11.374  -2.421  -4.593
  201   1HH2  ARG  23          1HH1      ARG  23  10.117  -5.118  -2.760
  202   2HH2  ARG  23          2HH1      ARG  23  11.165  -4.663  -4.058
  203    H    THR  24           H        THR  24   3.886  -6.012  -1.093
  204    HA   THR  24           HA       THR  24   5.683  -6.907   1.110
  205    HB   THR  24           HB       THR  24   4.065  -4.964   1.798
  206    HG1  THR  24           HG1      THR  24   4.671  -7.256   2.948
  207   1HG2  THR  24          1HG2      THR  24   1.972  -7.221   1.543
  208   2HG2  THR  24          2HG2      THR  24   2.020  -5.881   0.416
  209   3HG2  THR  24          3HG2      THR  24   1.685  -5.590   2.114
  210    H    HIS  25           H        HIS  25   3.269  -7.438  -1.235
  211    HA   HIS  25           HA       HIS  25   2.352 -10.040  -0.262
  212   1HB   HIS  25          1HB       HIS  25   1.759  -8.492  -2.826
  213   2HB   HIS  25          2HB       HIS  25   0.965  -9.980  -2.351
  214    HD1  HIS  25           HD1      HIS  25   0.023  -9.526   0.350
  215    HD2  HIS  25           HD2      HIS  25   0.031  -6.375  -2.268
  216    HE1  HIS  25           HE1      HIS  25  -1.607  -7.887   1.219
  217    H    THR  26           H        THR  26   4.025  -8.762  -3.114
  218    HA   THR  26           HA       THR  26   5.317 -11.434  -3.468
  219    HB   THR  26           HB       THR  26   4.303  -9.567  -5.689
  220    HG1  THR  26           HG1      THR  26   2.561 -10.623  -5.203
  221   1HG2  THR  26          1HG2      THR  26   5.320 -12.473  -5.777
  222   2HG2  THR  26          2HG2      THR  26   6.275 -11.116  -6.361
  223   3HG2  THR  26          3HG2      THR  26   4.765 -11.525  -7.148
  224    H    GLY  27           H        GLY  27   5.803  -8.055  -3.293
  225   1HA   GLY  27          1HA       GLY  27   8.600  -8.313  -4.338
  226   2HA   GLY  27          2HA       GLY  27   7.746  -6.804  -4.062
  227    H    GLU  28           H        GLU  28   8.032  -9.566  -1.976
  228    HA   GLU  28           HA       GLU  28   9.532  -7.977   0.071
  229   1HB   GLU  28          1HB       GLU  28   7.078  -8.464   0.557
  230   2HB   GLU  28          2HB       GLU  28   7.458 -10.173   0.531
  231   1HG   GLU  28          2HG       GLU  28   9.092  -9.834   2.424
  232   2HG   GLU  28          1HG       GLU  28   8.682  -8.128   2.444
  233    H    LYS  29           H        LYS  29  11.117  -8.952  -1.504
  234    HA   LYS  29           HA       LYS  29  11.923 -11.730  -0.722
  235   1HB   LYS  29          1HB       LYS  29  12.973 -11.963  -2.843
  236   2HB   LYS  29          2HB       LYS  29  11.469 -11.156  -3.207
  237   1HG   LYS  29          2HG       LYS  29  14.239  -9.885  -3.064
  238   2HG   LYS  29          1HG       LYS  29  13.264 -10.124  -4.492
  239   1HD   LYS  29          2HD       LYS  29  11.560  -8.505  -3.617
  240   2HD   LYS  29          1HD       LYS  29  12.564  -8.242  -2.197
  241   1HE   LYS  29          2HE       LYS  29  12.967  -6.454  -3.796
  242   2HE   LYS  29          1HE       LYS  29  14.418  -7.420  -3.599
  243   1HZ   LYS  29          1HZ       LYS  29  12.878  -8.533  -5.663
  244   2HZ   LYS  29          2HZ       LYS  29  14.416  -7.817  -5.742
  245   3HZ   LYS  29          3HZ       LYS  29  13.024  -6.866  -5.939
  Start of MODEL   26
    1   1H    LYS   1          1H        LYS   1  -6.642  11.568  -1.187
    2   2H    LYS   1          2H        LYS   1  -7.844  12.603  -1.789
    3   3H    LYS   1          3H        LYS   1  -6.205  13.012  -1.964
    4    HA   LYS   1           HA       LYS   1  -7.835  11.542  -3.708
    5   1HB   LYS   1          2HB       LYS   1  -5.972  13.236  -4.219
    6   2HB   LYS   1          1HB       LYS   1  -4.805  11.990  -3.821
    7   1HG   LYS   1          2HG       LYS   1  -6.082  10.530  -5.607
    8   2HG   LYS   1          1HG       LYS   1  -6.806  12.040  -6.112
    9   1HD   LYS   1          2HD       LYS   1  -3.830  11.406  -6.031
   10   2HD   LYS   1          1HD       LYS   1  -4.814  11.548  -7.471
   11   1HE   LYS   1          2HE       LYS   1  -4.195  13.836  -5.541
   12   2HE   LYS   1          1HE       LYS   1  -3.502  13.608  -7.135
   13   1HZ   LYS   1          1HZ       LYS   1  -6.273  13.502  -7.394
   14   2HZ   LYS   1          2HZ       LYS   1  -5.194  14.667  -7.993
   15   3HZ   LYS   1          3HZ       LYS   1  -5.892  14.866  -6.459
   16    HA   PRO   2           HA       PRO   2  -6.079   8.028  -1.073
   17   1HB   PRO   2          1HB       PRO   2  -8.363   6.513  -0.909
   18   2HB   PRO   2          2HB       PRO   2  -8.032   7.883   0.160
   19   1HG   PRO   2          2HG       PRO   2  -9.626   7.917  -2.462
   20   2HG   PRO   2          1HG       PRO   2 -10.153   8.471  -0.868
   21   1HD   PRO   2          1HD       PRO   2  -9.146  10.289  -2.569
   22   2HD   PRO   2          2HD       PRO   2  -8.583  10.332  -0.880
   23    H    PHE   3           H        PHE   3  -5.661   5.918  -1.491
   24    HA   PHE   3           HA       PHE   3  -5.964   4.920  -4.297
   25   1HB   PHE   3          1HB       PHE   3  -3.523   5.046  -2.496
   26   2HB   PHE   3          2HB       PHE   3  -3.591   3.965  -3.874
   27    HD1  PHE   3           HD1      PHE   3  -3.215   4.812  -6.082
   28    HD2  PHE   3           HD2      PHE   3  -3.707   7.546  -2.853
   29    HE1  PHE   3           HE1      PHE   3  -2.465   6.651  -7.523
   30    HE2  PHE   3           HE2      PHE   3  -2.969   9.388  -4.301
   31    HZ   PHE   3           HZ       PHE   3  -2.353   8.944  -6.641
   32    H    GLN   4           H        GLN   4  -5.542   2.467  -4.337
   33    HA   GLN   4           HA       GLN   4  -6.014   1.131  -1.746
   34   1HB   GLN   4          1HB       GLN   4  -8.299   1.725  -2.685
   35   2HB   GLN   4          2HB       GLN   4  -7.936   0.742  -4.093
   36   1HG   GLN   4          2HG       GLN   4  -7.661  -1.276  -2.553
   37   2HG   GLN   4          1HG       GLN   4  -8.048  -0.245  -1.191
   38   1HE2  GLN   4          2HE2      GLN   4 -10.070  -1.028  -0.544
   39   2HE2  GLN   4          1HE2      GLN   4 -11.414  -1.148  -1.572
   40    H    CYS   5           H        CYS   5  -5.599  -1.078  -1.763
   41    HA   CYS   5           HA       CYS   5  -3.724  -1.972  -3.884
   42   1HB   CYS   5          1HB       CYS   5  -2.959  -2.123  -1.601
   43   2HB   CYS   5          2HB       CYS   5  -4.411  -2.999  -1.124
   44    H    LYS   6           H        LYS   6  -4.367  -3.376  -5.366
   45    HA   LYS   6           HA       LYS   6  -7.057  -4.624  -5.127
   46   1HB   LYS   6          1HB       LYS   6  -5.138  -4.539  -7.514
   47   2HB   LYS   6          2HB       LYS   6  -6.821  -5.002  -7.579
   48   1HG   LYS   6          2HG       LYS   6  -5.970  -2.207  -6.736
   49   2HG   LYS   6          1HG       LYS   6  -6.146  -2.642  -8.410
   50   1HD   LYS   6          2HD       LYS   6  -8.189  -1.570  -7.750
   51   2HD   LYS   6          1HD       LYS   6  -8.543  -3.264  -7.996
   52   1HE   LYS   6          2HE       LYS   6  -9.643  -2.254  -5.983
   53   2HE   LYS   6          1HE       LYS   6  -8.685  -3.655  -5.585
   54   1HZ   LYS   6          1HZ       LYS   6  -7.057  -1.355  -5.464
   55   2HZ   LYS   6          2HZ       LYS   6  -7.515  -2.402  -4.210
   56   3HZ   LYS   6          3HZ       LYS   6  -8.483  -1.066  -4.596
   57    H    THR   7           H        THR   7  -5.037  -5.502  -3.480
   58    HA   THR   7           HA       THR   7  -4.685  -8.295  -4.438
   59    HB   THR   7           HB       THR   7  -2.582  -6.758  -2.799
   60    HG1  THR   7           HG1      THR   7  -2.153  -5.971  -4.706
   61   1HG2  THR   7          1HG2      THR   7  -2.471  -9.322  -4.490
   62   2HG2  THR   7          2HG2      THR   7  -2.561  -9.341  -2.736
   63   3HG2  THR   7          3HG2      THR   7  -1.156  -8.657  -3.537
   64    H    CYS   8           H        CYS   8  -4.814  -6.116  -1.612
   65    HA   CYS   8           HA       CYS   8  -5.968  -8.417  -0.050
   66   1HB   CYS   8          1HB       CYS   8  -4.977  -7.468   1.948
   67   2HB   CYS   8          2HB       CYS   8  -3.721  -7.733   0.740
   68    H    GLN   9           H        GLN   9  -6.157  -5.148  -0.970
   69    HA   GLN   9           HA       GLN   9  -7.975  -3.718  -1.147
   70   1HB   GLN   9          1HB       GLN   9  -9.515  -5.713   0.650
   71   2HB   GLN   9          2HB       GLN   9 -10.147  -4.226   0.027
   72   1HG   GLN   9          2HG       GLN   9 -10.845  -5.994  -1.457
   73   2HG   GLN   9          1HG       GLN   9  -9.752  -4.918  -2.306
   74   1HE2  GLN   9          2HE2      GLN   9  -7.910  -5.838  -3.255
   75   2HE2  GLN   9          1HE2      GLN   9  -7.461  -7.466  -3.076
   76    H    ARG  10           H        ARG  10  -6.031  -2.937   0.161
   77    HA   ARG  10           HA       ARG  10  -6.984  -1.740   2.747
   78   1HB   ARG  10          1HB       ARG  10  -4.931  -3.174   3.021
   79   2HB   ARG  10          2HB       ARG  10  -4.122  -2.251   1.759
   80   1HG   ARG  10          2HG       ARG  10  -4.285  -0.196   3.123
   81   2HG   ARG  10          1HG       ARG  10  -5.194  -1.052   4.356
   82   1HD   ARG  10          2HD       ARG  10  -3.238  -2.518   4.802
   83   2HD   ARG  10          1HD       ARG  10  -2.332  -1.745   3.521
   84    HE   ARG  10           HE       ARG  10  -1.750  -0.718   5.711
   85   1HH1  ARG  10          1HH1      ARG  10  -4.419  -0.328   6.874
   86   2HH1  ARG  10          2HH1      ARG  10  -4.717   1.355   6.597
   87   1HH2  ARG  10          2HH2      ARG  10  -2.216   1.619   4.170
   88   2HH2  ARG  10          1HH2      ARG  10  -3.447   2.478   5.031
   89    H    LYS  11           H        LYS  11  -6.592   0.578   2.870
   90    HA   LYS  11           HA       LYS  11  -6.170   1.755   0.156
   91   1HB   LYS  11          1HB       LYS  11  -7.612   3.624   0.875
   92   2HB   LYS  11          2HB       LYS  11  -8.460   2.097   1.005
   93   1HG   LYS  11          2HG       LYS  11  -7.929   2.034   3.466
   94   2HG   LYS  11          1HG       LYS  11  -7.151   3.597   3.325
   95   1HD   LYS  11          2HD       LYS  11 -10.082   3.035   2.688
   96   2HD   LYS  11          1HD       LYS  11  -9.494   3.779   4.164
   97   1HE   LYS  11          2HE       LYS  11  -8.570   5.687   2.839
   98   2HE   LYS  11          1HE       LYS  11  -9.188   4.960   1.361
   99   1HZ   LYS  11          1HZ       LYS  11 -11.264   5.054   3.220
  100   2HZ   LYS  11          2HZ       LYS  11 -11.119   5.870   1.740
  101   3HZ   LYS  11          3HZ       LYS  11 -10.530   6.584   3.165
  102    H    PHE  12           H        PHE  12  -5.353   3.905   0.079
  103    HA   PHE  12           HA       PHE  12  -3.486   4.711   2.236
  104   1HB   PHE  12          1HB       PHE  12  -2.788   4.296  -0.722
  105   2HB   PHE  12          2HB       PHE  12  -1.687   4.920   0.485
  106    HD1  PHE  12           HD1      PHE  12  -0.930   3.452   2.358
  107    HD2  PHE  12           HD2      PHE  12  -3.438   1.909  -0.735
  108    HE1  PHE  12           HE1      PHE  12  -0.451   1.163   3.095
  109    HE2  PHE  12           HE2      PHE  12  -2.957  -0.376   0.015
  110    HZ   PHE  12           HZ       PHE  12  -1.465  -0.740   1.922
  111    H    SER  13           H        SER  13  -2.366   6.816   1.202
  112    HA   SER  13           HA       SER  13  -4.598   8.686   0.504
  113   1HB   SER  13          2HB       SER  13  -3.212  10.424   1.674
  114   2HB   SER  13          1HB       SER  13  -3.526   9.073   2.747
  115    HG   SER  13           HG       SER  13  -1.170   9.945   1.822
  116    H    ARG  14           H        ARG  14  -1.312   7.738  -0.067
  117    HA   ARG  14           HA       ARG  14  -1.210   9.309  -2.611
  118   1HB   ARG  14          1HB       ARG  14   1.039   8.417  -0.754
  119   2HB   ARG  14          2HB       ARG  14   1.277   9.260  -2.276
  120   1HG   ARG  14          2HG       ARG  14   0.149  11.225  -1.506
  121   2HG   ARG  14          1HG       ARG  14  -0.456  10.412  -0.074
  122   1HD   ARG  14          2HD       ARG  14   1.762  10.195   0.836
  123   2HD   ARG  14          1HD       ARG  14   2.514  10.829  -0.608
  124    HE   ARG  14           HE       ARG  14   1.260  12.978  -0.108
  125   1HH1  ARG  14          2HH2      ARG  14   0.019  11.011   2.216
  126   2HH1  ARG  14          1HH2      ARG  14   0.580  11.931   3.565
  127   1HH2  ARG  14          1HH1      ARG  14   2.679  13.967   1.671
  128   2HH2  ARG  14          2HH1      ARG  14   2.096  13.620   3.265
  129    H    SER  15           H        SER  15   0.645   8.313  -3.968
  130    HA   SER  15           HA       SER  15  -0.170   5.525  -4.600
  131   1HB   SER  15          2HB       SER  15   0.848   6.025  -6.843
  132   2HB   SER  15          1HB       SER  15  -0.265   7.289  -6.395
  133    HG   SER  15           HG       SER  15   2.059   7.877  -5.264
  134    H    ASP  16           H        ASP  16   2.419   7.471  -3.408
  135    HA   ASP  16           HA       ASP  16   4.447   5.329  -3.698
  136   1HB   ASP  16          1HB       ASP  16   5.937   7.114  -2.659
  137   2HB   ASP  16          2HB       ASP  16   5.139   7.654  -4.128
  138    H    HIS  17           H        HIS  17   1.982   5.371  -2.079
  139    HA   HIS  17           HA       HIS  17   2.971   4.490   0.579
  140   1HB   HIS  17          1HB       HIS  17   0.432   5.952  -0.290
  141   2HB   HIS  17          2HB       HIS  17   0.440   5.020   1.194
  142    HD1  HIS  17           HD1      HIS  17  -0.001   7.475   2.186
  143    HD2  HIS  17           HD2      HIS  17   3.799   6.920   0.806
  144    HE1  HIS  17           HE1      HIS  17   1.369   9.228   3.204
  145    H    LEU  18           H        LEU  18   1.414   3.924  -2.359
  146    HA   LEU  18           HA       LEU  18   0.211   1.346  -1.537
  147   1HB   LEU  18          1HB       LEU  18  -1.207   2.966  -2.821
  148   2HB   LEU  18          2HB       LEU  18  -0.028   2.945  -4.130
  149    HG   LEU  18           HG       LEU  18  -0.432   0.399  -4.275
  150   1HD1  LEU  18          1HD1      LEU  18  -2.815   1.076  -2.545
  151   2HD1  LEU  18          2HD1      LEU  18  -1.436   0.098  -2.047
  152   3HD1  LEU  18          3HD1      LEU  18  -2.488  -0.457  -3.325
  153   1HD2  LEU  18          1HD2      LEU  18  -1.414   2.019  -5.903
  154   2HD2  LEU  18          2HD2      LEU  18  -2.794   2.251  -4.839
  155   3HD2  LEU  18          3HD2      LEU  18  -2.514   0.689  -5.584
  156    H    LYS  19           H        LYS  19   2.405   2.706  -4.040
  157    HA   LYS  19           HA       LYS  19   3.192   0.097  -5.019
  158   1HB   LYS  19          1HB       LYS  19   4.509   2.841  -5.326
  159   2HB   LYS  19          2HB       LYS  19   4.994   1.408  -6.210
  160   1HG   LYS  19          2HG       LYS  19   2.720   1.251  -7.215
  161   2HG   LYS  19          1HG       LYS  19   2.217   2.668  -6.320
  162   1HD   LYS  19          2HD       LYS  19   2.793   3.332  -8.608
  163   2HD   LYS  19          1HD       LYS  19   3.965   4.020  -7.505
  164   1HE   LYS  19          2HE       LYS  19   5.606   2.267  -8.078
  165   2HE   LYS  19          1HE       LYS  19   4.419   1.434  -9.073
  166   1HZ   LYS  19          1HZ       LYS  19   4.575   4.099  -9.911
  167   2HZ   LYS  19          2HZ       LYS  19   5.010   2.689 -10.753
  168   3HZ   LYS  19          3HZ       LYS  19   6.156   3.485  -9.789
  169    H    THR  20           H        THR  20   3.711   1.368  -2.157
  170    HA   THR  20           HA       THR  20   6.479   0.334  -1.735
  171    HB   THR  20           HB       THR  20   4.698   2.125   0.059
  172    HG1  THR  20           HG1      THR  20   6.888   3.283  -0.886
  173   1HG2  THR  20          1HG2      THR  20   7.717   1.525   0.162
  174   2HG2  THR  20          2HG2      THR  20   6.554   0.813   1.269
  175   3HG2  THR  20          3HG2      THR  20   6.825   2.546   1.278
  176    H    HIS  21           H        HIS  21   3.167   0.377  -0.708
  177    HA   HIS  21           HA       HIS  21   3.208  -1.630   1.299
  178   1HB   HIS  21          1HB       HIS  21   1.316  -0.167   1.200
  179   2HB   HIS  21          2HB       HIS  21   1.038  -0.482  -0.505
  180    HD1  HIS  21           HD1      HIS  21   0.639  -2.210   2.802
  181    HD2  HIS  21           HD2      HIS  21  -0.488  -2.704  -1.103
  182    HE1  HIS  21           HE1      HIS  21  -0.988  -4.074   2.770
  183    H    THR  22           H        THR  22   2.135  -1.919  -2.081
  184    HA   THR  22           HA       THR  22   1.482  -4.539  -2.325
  185    HB   THR  22           HB       THR  22   2.320  -4.132  -4.765
  186    HG1  THR  22           HG1      THR  22   2.686  -1.567  -3.743
  187   1HG2  THR  22          1HG2      THR  22   0.557  -1.973  -3.487
  188   2HG2  THR  22          2HG2      THR  22  -0.030  -3.534  -4.036
  189   3HG2  THR  22          3HG2      THR  22   0.617  -2.381  -5.194
  190    H    ARG  23           H        ARG  23   4.597  -3.237  -1.877
  191    HA   ARG  23           HA       ARG  23   6.025  -5.542  -2.874
  192   1HB   ARG  23          1HB       ARG  23   7.095  -3.362  -1.030
  193   2HB   ARG  23          2HB       ARG  23   8.027  -4.351  -2.127
  194   1HG   ARG  23          2HG       ARG  23   5.934  -2.285  -2.988
  195   2HG   ARG  23          1HG       ARG  23   7.658  -2.029  -3.011
  196   1HD   ARG  23          2HD       ARG  23   6.198  -4.149  -4.656
  197   2HD   ARG  23          1HD       ARG  23   6.811  -2.619  -5.260
  198    HE   ARG  23           HE       ARG  23   8.558  -4.794  -4.164
  199   1HH1  ARG  23          2HH2      ARG  23   7.758  -3.388  -7.014
  200   2HH1  ARG  23          1HH2      ARG  23   9.350  -2.866  -7.460
  201   1HH2  ARG  23          1HH1      ARG  23  10.678  -3.590  -4.295
  202   2HH2  ARG  23          2HH1      ARG  23  11.050  -2.982  -5.874
  203    H    THR  24           H        THR  24   4.039  -6.054  -0.911
  204    HA   THR  24           HA       THR  24   5.557  -7.383   1.274
  205    HB   THR  24           HB       THR  24   4.051  -5.405   2.085
  206    HG1  THR  24           HG1      THR  24   4.042  -6.708   3.717
  207   1HG2  THR  24          1HG2      THR  24   1.808  -7.389   1.355
  208   2HG2  THR  24          2HG2      THR  24   2.080  -5.923   0.433
  209   3HG2  THR  24          3HG2      THR  24   1.610  -5.824   2.122
  210    H    HIS  25           H        HIS  25   3.297  -7.399  -1.271
  211    HA   HIS  25           HA       HIS  25   2.341 -10.162  -0.787
  212   1HB   HIS  25          1HB       HIS  25   1.573  -8.182  -2.975
  213   2HB   HIS  25          2HB       HIS  25   0.790  -9.716  -2.659
  214    HD1  HIS  25           HD1      HIS  25   0.248  -9.484   0.313
  215    HD2  HIS  25           HD2      HIS  25  -0.244  -6.321  -2.227
  216    HE1  HIS  25           HE1      HIS  25  -1.340  -7.943   1.415
  217    H    THR  26           H        THR  26   4.007  -8.138  -3.139
  218    HA   THR  26           HA       THR  26   4.922 -10.557  -4.606
  219    HB   THR  26           HB       THR  26   3.668  -8.740  -5.916
  220    HG1  THR  26           HG1      THR  26   6.069  -8.613  -7.090
  221   1HG2  THR  26          1HG2      THR  26   6.311  -7.203  -5.563
  222   2HG2  THR  26          2HG2      THR  26   4.835  -6.720  -4.747
  223   3HG2  THR  26          3HG2      THR  26   4.922  -6.686  -6.498
  224    H    GLY  27           H        GLY  27   6.097  -7.854  -2.819
  225   1HA   GLY  27          1HA       GLY  27   8.930  -8.686  -3.394
  226   2HA   GLY  27          2HA       GLY  27   8.456  -7.078  -2.881
  227    H    GLU  28           H        GLU  28   7.704 -10.290  -1.697
  228    HA   GLU  28           HA       GLU  28   7.274 -10.365   0.823
  229   1HB   GLU  28          1HB       GLU  28   8.003 -12.387  -0.337
  230   2HB   GLU  28          2HB       GLU  28   9.670 -11.844  -0.345
  231   1HG   GLU  28          2HG       GLU  28   9.178 -13.546   1.467
  232   2HG   GLU  28          1HG       GLU  28   9.808 -12.046   2.111
  233    H    LYS  29           H        LYS  29   7.627  -8.909   2.323
  234    HA   LYS  29           HA       LYS  29  10.442  -8.189   3.036
  235   1HB   LYS  29          1HB       LYS  29   9.047  -6.281   2.193
  236   2HB   LYS  29          2HB       LYS  29   7.869  -6.598   3.446
  237   1HG   LYS  29          2HG       LYS  29   9.291  -4.735   4.138
  238   2HG   LYS  29          1HG       LYS  29   9.575  -6.087   5.202
  239   1HD   LYS  29          2HD       LYS  29  11.627  -6.672   3.781
  240   2HD   LYS  29          1HD       LYS  29  11.338  -5.199   2.871
  241   1HE   LYS  29          2HE       LYS  29  13.007  -4.775   4.624
  242   2HE   LYS  29          1HE       LYS  29  11.538  -3.901   5.034
  243   1HZ   LYS  29          1HZ       LYS  29  11.367  -6.483   6.113
  244   2HZ   LYS  29          2HZ       LYS  29  11.447  -4.993   6.925
  245   3HZ   LYS  29          3HZ       LYS  29  12.876  -5.823   6.535
  Start of MODEL   27
    1   1H    LYS   1          1H        LYS   1  -6.451  11.514  -1.583
    2   2H    LYS   1          2H        LYS   1  -7.768  12.531  -1.918
    3   3H    LYS   1          3H        LYS   1  -6.242  12.876  -2.575
    4    HA   LYS   1           HA       LYS   1  -8.302  11.309  -3.646
    5   1HB   LYS   1          2HB       LYS   1  -6.626  12.965  -4.755
    6   2HB   LYS   1          1HB       LYS   1  -5.437  11.692  -4.679
    7   1HG   LYS   1          2HG       LYS   1  -6.388  11.573  -6.884
    8   2HG   LYS   1          1HG       LYS   1  -7.082  10.221  -6.013
    9   1HD   LYS   1          2HD       LYS   1  -9.156  11.535  -5.580
   10   2HD   LYS   1          1HD       LYS   1  -8.445  12.928  -6.374
   11   1HE   LYS   1          2HE       LYS   1  -8.300  11.638  -8.504
   12   2HE   LYS   1          1HE       LYS   1  -9.035  10.256  -7.701
   13   1HZ   LYS   1          1HZ       LYS   1 -10.623  12.496  -7.204
   14   2HZ   LYS   1          2HZ       LYS   1 -11.001  11.111  -8.112
   15   3HZ   LYS   1          3HZ       LYS   1 -10.290  12.455  -8.868
   16    HA   PRO   2           HA       PRO   2  -6.183   7.891  -1.199
   17   1HB   PRO   2          1HB       PRO   2  -9.009   6.898  -1.563
   18   2HB   PRO   2          2HB       PRO   2  -7.903   6.717  -0.192
   19   1HG   PRO   2          2HG       PRO   2  -9.730   8.632  -0.010
   20   2HG   PRO   2          1HG       PRO   2  -8.064   9.068   0.391
   21   1HD   PRO   2          1HD       PRO   2  -9.532   9.519  -2.264
   22   2HD   PRO   2          2HD       PRO   2  -8.570  10.677  -1.316
   23    H    PHE   3           H        PHE   3  -5.692   5.863  -1.566
   24    HA   PHE   3           HA       PHE   3  -5.915   4.777  -4.349
   25   1HB   PHE   3          1HB       PHE   3  -3.533   4.986  -2.473
   26   2HB   PHE   3          2HB       PHE   3  -3.532   3.902  -3.850
   27    HD1  PHE   3           HD1      PHE   3  -3.412   4.825  -6.123
   28    HD2  PHE   3           HD2      PHE   3  -3.578   7.418  -2.754
   29    HE1  PHE   3           HE1      PHE   3  -2.758   6.714  -7.547
   30    HE2  PHE   3           HE2      PHE   3  -2.931   9.312  -4.178
   31    HZ   PHE   3           HZ       PHE   3  -2.523   8.961  -6.576
   32    H    GLN   4           H        GLN   4  -5.826   2.401  -4.422
   33    HA   GLN   4           HA       GLN   4  -6.190   1.114  -1.753
   34   1HB   GLN   4          1HB       GLN   4  -8.467   1.546  -2.721
   35   2HB   GLN   4          2HB       GLN   4  -8.017   0.660  -4.169
   36   1HG   GLN   4          2HG       GLN   4  -7.733  -1.414  -2.893
   37   2HG   GLN   4          1HG       GLN   4  -7.911  -0.566  -1.366
   38   1HE2  GLN   4          2HE2      GLN   4  -9.865  -0.965  -0.466
   39   2HE2  GLN   4          1HE2      GLN   4 -11.325  -1.186  -1.303
   40    H    CYS   5           H        CYS   5  -5.679  -1.044  -1.676
   41    HA   CYS   5           HA       CYS   5  -3.682  -1.929  -3.694
   42   1HB   CYS   5          1HB       CYS   5  -3.096  -2.061  -1.350
   43   2HB   CYS   5          2HB       CYS   5  -4.495  -3.064  -1.010
   44    H    LYS   6           H        LYS   6  -4.184  -3.316  -5.186
   45    HA   LYS   6           HA       LYS   6  -6.854  -4.643  -5.179
   46   1HB   LYS   6          1HB       LYS   6  -6.221  -4.980  -7.684
   47   2HB   LYS   6          2HB       LYS   6  -6.559  -3.351  -7.147
   48   1HG   LYS   6          2HG       LYS   6  -4.137  -2.869  -6.948
   49   2HG   LYS   6          1HG       LYS   6  -3.752  -4.514  -7.423
   50   1HD   LYS   6          2HD       LYS   6  -4.606  -4.174  -9.639
   51   2HD   LYS   6          1HD       LYS   6  -5.445  -2.701  -9.188
   52   1HE   LYS   6          2HE       LYS   6  -2.408  -3.015  -9.154
   53   2HE   LYS   6          1HE       LYS   6  -3.317  -2.264 -10.457
   54   1HZ   LYS   6          1HZ       LYS   6  -2.449  -1.117  -8.069
   55   2HZ   LYS   6          2HZ       LYS   6  -4.148  -1.105  -8.062
   56   3HZ   LYS   6          3HZ       LYS   6  -3.300  -0.390  -9.345
   57    H    THR   7           H        THR   7  -4.877  -5.527  -3.507
   58    HA   THR   7           HA       THR   7  -4.382  -8.274  -4.517
   59    HB   THR   7           HB       THR   7  -2.465  -6.677  -2.708
   60    HG1  THR   7           HG1      THR   7  -1.548  -7.395  -5.121
   61   1HG2  THR   7          1HG2      THR   7  -2.180  -9.312  -4.278
   62   2HG2  THR   7          2HG2      THR   7  -2.393  -9.247  -2.538
   63   3HG2  THR   7          3HG2      THR   7  -0.946  -8.584  -3.272
   64    H    CYS   8           H        CYS   8  -4.800  -6.071  -1.742
   65    HA   CYS   8           HA       CYS   8  -6.051  -8.366  -0.272
   66   1HB   CYS   8          1HB       CYS   8  -5.159  -7.461   1.809
   67   2HB   CYS   8          2HB       CYS   8  -3.845  -7.799   0.679
   68    H    GLN   9           H        GLN   9  -6.081  -5.029  -1.008
   69    HA   GLN   9           HA       GLN   9  -7.879  -3.544  -1.256
   70   1HB   GLN   9          1HB       GLN   9  -9.580  -5.603   0.316
   71   2HB   GLN   9          2HB       GLN   9 -10.127  -4.045  -0.198
   72   1HG   GLN   9          2HG       GLN   9 -10.805  -5.663  -1.868
   73   2HG   GLN   9          1HG       GLN   9  -9.654  -4.541  -2.561
   74   1HE2  GLN   9          2HE2      GLN   9  -7.691  -5.398  -3.387
   75   2HE2  GLN   9          1HE2      GLN   9  -7.344  -7.062  -3.398
   76    H    ARG  10           H        ARG  10  -6.062  -2.830   0.064
   77    HA   ARG  10           HA       ARG  10  -6.939  -1.830   2.749
   78   1HB   ARG  10          1HB       ARG  10  -4.900  -3.383   2.622
   79   2HB   ARG  10          2HB       ARG  10  -4.109  -2.156   1.634
   80   1HG   ARG  10          2HG       ARG  10  -3.925  -0.626   3.408
   81   2HG   ARG  10          1HG       ARG  10  -5.223  -1.369   4.328
   82   1HD   ARG  10          2HD       ARG  10  -2.619  -2.792   3.716
   83   2HD   ARG  10          1HD       ARG  10  -2.835  -1.944   5.217
   84    HE   ARG  10           HE       ARG  10  -4.404  -4.334   4.323
   85   1HH1  ARG  10          2HH2      ARG  10  -2.381  -3.703   6.728
   86   2HH1  ARG  10          1HH2      ARG  10  -3.490  -3.910   8.043
   87   1HH2  ARG  10          1HH1      ARG  10  -6.296  -3.901   5.955
   88   2HH2  ARG  10          2HH1      ARG  10  -5.758  -4.025   7.596
   89    H    LYS  11           H        LYS  11  -6.469   0.528   2.991
   90    HA   LYS  11           HA       LYS  11  -6.241   1.805   0.300
   91   1HB   LYS  11          1HB       LYS  11  -8.470   2.011   1.337
   92   2HB   LYS  11          2HB       LYS  11  -7.763   2.652   2.799
   93   1HG   LYS  11          2HG       LYS  11  -7.143   4.730   1.689
   94   2HG   LYS  11          1HG       LYS  11  -7.547   4.079   0.119
   95   1HD   LYS  11          2HD       LYS  11  -9.335   5.589   0.880
   96   2HD   LYS  11          1HD       LYS  11  -9.933   3.954   0.736
   97   1HE   LYS  11          2HE       LYS  11  -9.003   5.086   3.403
   98   2HE   LYS  11          1HE       LYS  11 -10.651   5.266   2.830
   99   1HZ   LYS  11          1HZ       LYS  11  -9.923   2.591   2.530
  100   2HZ   LYS  11          2HZ       LYS  11 -11.088   3.264   3.565
  101   3HZ   LYS  11          3HZ       LYS  11  -9.486   3.076   4.099
  102    H    PHE  12           H        PHE  12  -5.255   3.841   0.130
  103    HA   PHE  12           HA       PHE  12  -3.372   4.662   2.265
  104   1HB   PHE  12          1HB       PHE  12  -2.649   4.158  -0.679
  105   2HB   PHE  12          2HB       PHE  12  -1.535   4.724   0.550
  106    HD1  PHE  12           HD1      PHE  12  -1.094   3.247   2.571
  107    HD2  PHE  12           HD2      PHE  12  -3.263   1.804  -0.802
  108    HE1  PHE  12           HE1      PHE  12  -0.800   0.933   3.352
  109    HE2  PHE  12           HE2      PHE  12  -2.956  -0.491  -0.021
  110    HZ   PHE  12           HZ       PHE  12  -1.743  -0.924   2.060
  111    H    SER  13           H        SER  13  -2.224   6.708   1.331
  112    HA   SER  13           HA       SER  13  -4.384   8.594   0.499
  113   1HB   SER  13          2HB       SER  13  -2.937  10.329   1.609
  114   2HB   SER  13          1HB       SER  13  -3.369   9.047   2.726
  115    HG   SER  13           HG       SER  13  -0.941   9.758   1.872
  116    H    ARG  14           H        ARG  14  -1.139   7.535  -0.115
  117    HA   ARG  14           HA       ARG  14  -1.021   9.163  -2.624
  118   1HB   ARG  14          1HB       ARG  14   1.264   8.145  -0.893
  119   2HB   ARG  14          2HB       ARG  14   1.418   9.119  -2.347
  120   1HG   ARG  14          2HG       ARG  14   0.377  11.002  -1.359
  121   2HG   ARG  14          1HG       ARG  14  -0.187  10.079   0.023
  122   1HD   ARG  14          2HD       ARG  14   2.092   9.712   0.787
  123   2HD   ARG  14          1HD       ARG  14   2.774  10.510  -0.597
  124    HE   ARG  14           HE       ARG  14   1.560  12.586   0.214
  125   1HH1  ARG  14          1HH1      ARG  14   0.248  10.611   2.380
  126   2HH1  ARG  14          2HH1      ARG  14   1.007  11.268   3.781
  127   1HH2  ARG  14          2HH2      ARG  14   3.361  13.109   1.982
  128   2HH2  ARG  14          1HH2      ARG  14   2.807  12.689   3.569
  129    H    SER  15           H        SER  15   0.436   8.227  -4.246
  130    HA   SER  15           HA       SER  15  -0.361   5.442  -4.810
  131   1HB   SER  15          2HB       SER  15   0.547   5.932  -7.085
  132   2HB   SER  15          1HB       SER  15  -0.441   7.277  -6.572
  133    HG   SER  15           HG       SER  15   1.256   8.494  -6.557
  134    H    ASP  16           H        ASP  16   2.443   7.407  -4.099
  135    HA   ASP  16           HA       ASP  16   4.455   5.417  -4.465
  136   1HB   ASP  16          1HB       ASP  16   5.784   7.008  -2.909
  137   2HB   ASP  16          2HB       ASP  16   5.124   7.755  -4.362
  138    H    HIS  17           H        HIS  17   2.191   6.266  -1.987
  139    HA   HIS  17           HA       HIS  17   3.378   4.677   0.084
  140   1HB   HIS  17          1HB       HIS  17   0.632   5.947  -0.307
  141   2HB   HIS  17          2HB       HIS  17   0.858   4.810   1.003
  142    HD1  HIS  17           HD1      HIS  17   0.314   7.374   2.120
  143    HD2  HIS  17           HD2      HIS  17   4.138   6.656   0.882
  144    HE1  HIS  17           HE1      HIS  17   1.747   8.960   3.310
  145    H    LEU  18           H        LEU  18   0.437   4.252  -1.877
  146    HA   LEU  18           HA       LEU  18  -0.270   1.674  -1.365
  147   1HB   LEU  18          1HB       LEU  18  -1.491   3.073  -2.963
  148   2HB   LEU  18          2HB       LEU  18  -0.139   3.044  -4.091
  149    HG   LEU  18           HG       LEU  18  -0.423   0.529  -4.269
  150   1HD1  LEU  18          1HD1      LEU  18  -2.942   0.987  -2.669
  151   2HD1  LEU  18          2HD1      LEU  18  -1.518   0.124  -2.093
  152   3HD1  LEU  18          3HD1      LEU  18  -2.425  -0.499  -3.445
  153   1HD2  LEU  18          1HD2      LEU  18  -1.487   2.072  -5.935
  154   2HD2  LEU  18          2HD2      LEU  18  -2.923   2.154  -4.925
  155   3HD2  LEU  18          3HD2      LEU  18  -2.456   0.634  -5.668
  156    H    LYS  19           H        LYS  19   2.192   2.550  -3.802
  157    HA   LYS  19           HA       LYS  19   2.938  -0.061  -4.549
  158   1HB   LYS  19          1HB       LYS  19   4.596   2.498  -4.385
  159   2HB   LYS  19          2HB       LYS  19   5.177   1.028  -5.150
  160   1HG   LYS  19          2HG       LYS  19   3.260   1.054  -6.714
  161   2HG   LYS  19          1HG       LYS  19   2.635   2.507  -5.958
  162   1HD   LYS  19          2HD       LYS  19   4.676   3.750  -6.604
  163   2HD   LYS  19          1HD       LYS  19   5.375   2.291  -7.286
  164   1HE   LYS  19          2HE       LYS  19   3.474   2.168  -8.917
  165   2HE   LYS  19          1HE       LYS  19   2.833   3.674  -8.263
  166   1HZ   LYS  19          1HZ       LYS  19   5.544   4.036  -8.852
  167   2HZ   LYS  19          2HZ       LYS  19   4.194   4.785  -9.557
  168   3HZ   LYS  19          3HZ       LYS  19   4.793   3.335 -10.203
  169    H    THR  20           H        THR  20   4.780   1.985  -2.257
  170    HA   THR  20           HA       THR  20   6.578   0.209  -1.235
  171    HB   THR  20           HB       THR  20   4.916   2.247   0.384
  172    HG1  THR  20           HG1      THR  20   5.933   3.247  -1.213
  173   1HG2  THR  20          1HG2      THR  20   7.765   1.165   0.820
  174   2HG2  THR  20          2HG2      THR  20   6.409   0.658   1.811
  175   3HG2  THR  20          3HG2      THR  20   6.935   2.335   1.839
  176    H    HIS  21           H        HIS  21   3.244   0.503  -0.266
  177    HA   HIS  21           HA       HIS  21   3.173  -1.499   1.740
  178   1HB   HIS  21          1HB       HIS  21   1.279  -0.061   1.668
  179   2HB   HIS  21          2HB       HIS  21   1.022  -0.262  -0.046
  180    HD1  HIS  21           HD1      HIS  21   0.540  -2.116   3.148
  181    HD2  HIS  21           HD2      HIS  21  -0.481  -2.533  -0.801
  182    HE1  HIS  21           HE1      HIS  21  -1.064  -3.978   3.043
  183    H    THR  22           H        THR  22   2.001  -1.792  -1.597
  184    HA   THR  22           HA       THR  22   1.397  -4.466  -1.707
  185    HB   THR  22           HB       THR  22   2.658  -2.883  -3.979
  186    HG1  THR  22           HG1      THR  22  -0.012  -2.933  -3.915
  187   1HG2  THR  22          1HG2      THR  22   0.461  -5.022  -4.016
  188   2HG2  THR  22          2HG2      THR  22   2.122  -5.366  -4.471
  189   3HG2  THR  22          3HG2      THR  22   1.173  -4.231  -5.408
  190    H    ARG  23           H        ARG  23   4.542  -3.093  -1.583
  191    HA   ARG  23           HA       ARG  23   6.104  -5.078  -2.749
  192   1HB   ARG  23          1HB       ARG  23   6.774  -3.529  -0.193
  193   2HB   ARG  23          2HB       ARG  23   7.946  -4.354  -1.188
  194   1HG   ARG  23          2HG       ARG  23   6.183  -2.125  -2.279
  195   2HG   ARG  23          1HG       ARG  23   7.764  -1.837  -1.597
  196   1HD   ARG  23          2HD       ARG  23   7.322  -3.748  -3.936
  197   2HD   ARG  23          1HD       ARG  23   7.715  -2.046  -4.128
  198    HE   ARG  23           HE       ARG  23   9.818  -2.506  -2.827
  199   1HH1  ARG  23          2HH2      ARG  23   9.410  -4.043  -5.535
  200   2HH1  ARG  23          1HH2      ARG  23  10.183  -5.539  -5.129
  201   1HH2  ARG  23          1HH1      ARG  23  10.206  -4.831  -1.700
  202   2HH2  ARG  23          2HH1      ARG  23  10.645  -5.995  -2.908
  203    H    THR  24           H        THR  24   4.245  -5.277   0.134
  204    HA   THR  24           HA       THR  24   5.653  -7.627   1.210
  205    HB   THR  24           HB       THR  24   4.637  -5.749   2.625
  206    HG1  THR  24           HG1      THR  24   4.545  -8.442   2.848
  207   1HG2  THR  24          1HG2      THR  24   2.019  -7.270   2.052
  208   2HG2  THR  24          2HG2      THR  24   2.342  -5.682   1.402
  209   3HG2  THR  24          3HG2      THR  24   2.213  -5.913   3.138
  210    H    HIS  25           H        HIS  25   4.100  -7.419  -1.353
  211    HA   HIS  25           HA       HIS  25   2.467  -9.910  -1.106
  212   1HB   HIS  25          1HB       HIS  25   1.952  -7.577  -3.019
  213   2HB   HIS  25          2HB       HIS  25   1.092  -9.092  -3.000
  214    HD1  HIS  25           HD1      HIS  25   0.536  -9.266   0.027
  215    HD2  HIS  25           HD2      HIS  25  -0.034  -5.845  -2.153
  216    HE1  HIS  25           HE1      HIS  25  -1.131  -7.923   1.261
  217    H    THR  26           H        THR  26   4.130  -7.822  -3.376
  218    HA   THR  26           HA       THR  26   5.242 -10.230  -4.788
  219    HB   THR  26           HB       THR  26   4.414  -7.570  -6.100
  220    HG1  THR  26           HG1      THR  26   2.542  -8.495  -6.004
  221   1HG2  THR  26          1HG2      THR  26   5.003 -10.344  -7.307
  222   2HG2  THR  26          2HG2      THR  26   6.127  -9.004  -7.445
  223   3HG2  THR  26          3HG2      THR  26   4.559  -8.898  -8.201
  224    H    GLY  27           H        GLY  27   6.265  -7.808  -2.866
  225   1HA   GLY  27          1HA       GLY  27   8.624  -6.929  -4.354
  226   2HA   GLY  27          2HA       GLY  27   8.326  -6.668  -2.631
  227    H    GLU  28           H        GLU  28   8.001  -9.102  -1.669
  228    HA   GLU  28           HA       GLU  28  10.636 -10.174  -1.441
  229   1HB   GLU  28          1HB       GLU  28   9.657 -11.542   0.220
  230   2HB   GLU  28          2HB       GLU  28   8.817 -10.031   0.320
  231   1HG   GLU  28          2HG       GLU  28   7.721 -12.541  -1.042
  232   2HG   GLU  28          1HG       GLU  28   7.253 -11.945   0.529
  233    H    LYS  29           H        LYS  29   8.223 -10.701  -3.690
  234    HA   LYS  29           HA       LYS  29   9.291 -13.374  -4.507
  235   1HB   LYS  29          1HB       LYS  29   6.903 -13.388  -3.790
  236   2HB   LYS  29          2HB       LYS  29   6.542 -12.124  -4.948
  237   1HG   LYS  29          2HG       LYS  29   7.156 -13.631  -6.827
  238   2HG   LYS  29          1HG       LYS  29   7.585 -14.895  -5.685
  239   1HD   LYS  29          2HD       LYS  29   5.248 -14.948  -4.853
  240   2HD   LYS  29          1HD       LYS  29   4.812 -13.643  -5.945
  241   1HE   LYS  29          2HE       LYS  29   5.397 -15.079  -7.895
  242   2HE   LYS  29          1HE       LYS  29   5.838 -16.383  -6.799
  243   1HZ   LYS  29          1HZ       LYS  29   3.294 -15.484  -6.096
  244   2HZ   LYS  29          2HZ       LYS  29   3.747 -16.989  -6.737
  245   3HZ   LYS  29          3HZ       LYS  29   3.317 -15.716  -7.777
  Start of MODEL   28
    1   1H    LYS   1          1H        LYS   1  -5.193  12.302  -1.405
    2   2H    LYS   1          2H        LYS   1  -6.438  13.449  -1.283
    3   3H    LYS   1          3H        LYS   1  -5.803  13.047  -2.804
    4    HA   LYS   1           HA       LYS   1  -7.941  11.890  -1.439
    5   1HB   LYS   1          2HB       LYS   1  -8.167  10.610  -3.578
    6   2HB   LYS   1          1HB       LYS   1  -7.850  12.310  -3.864
    7   1HG   LYS   1          2HG       LYS   1  -5.379  11.759  -4.174
    8   2HG   LYS   1          1HG       LYS   1  -5.765  10.069  -3.946
    9   1HD   LYS   1          2HD       LYS   1  -5.561  10.526  -6.320
   10   2HD   LYS   1          1HD       LYS   1  -7.226  10.115  -5.955
   11   1HE   LYS   1          2HE       LYS   1  -7.841  12.522  -5.999
   12   2HE   LYS   1          1HE       LYS   1  -6.158  12.963  -6.268
   13   1HZ   LYS   1          1HZ       LYS   1  -6.876  11.044  -8.163
   14   2HZ   LYS   1          2HZ       LYS   1  -6.473  12.675  -8.409
   15   3HZ   LYS   1          3HZ       LYS   1  -8.089  12.233  -8.140
   16    HA   PRO   2           HA       PRO   2  -6.000   8.022   0.039
   17   1HB   PRO   2          1HB       PRO   2  -8.765   6.895  -0.244
   18   2HB   PRO   2          2HB       PRO   2  -7.679   6.886   1.148
   19   1HG   PRO   2          2HG       PRO   2  -9.764   8.584   1.157
   20   2HG   PRO   2          1HG       PRO   2  -8.195   9.201   1.686
   21   1HD   PRO   2          1HD       PRO   2  -9.407   9.444  -1.128
   22   2HD   PRO   2          2HD       PRO   2  -8.792  10.733  -0.063
   23    H    PHE   3           H        PHE   3  -5.784   5.852  -0.661
   24    HA   PHE   3           HA       PHE   3  -6.231   5.336  -3.573
   25   1HB   PHE   3          1HB       PHE   3  -3.685   5.155  -1.924
   26   2HB   PHE   3          2HB       PHE   3  -3.862   4.208  -3.390
   27    HD1  PHE   3           HD1      PHE   3  -3.785   5.270  -5.551
   28    HD2  PHE   3           HD2      PHE   3  -3.847   7.666  -2.036
   29    HE1  PHE   3           HE1      PHE   3  -3.245   7.246  -6.892
   30    HE2  PHE   3           HE2      PHE   3  -3.308   9.650  -3.380
   31    HZ   PHE   3           HZ       PHE   3  -3.011   9.445  -5.812
   32    H    GLN   4           H        GLN   4  -5.891   2.978  -4.070
   33    HA   GLN   4           HA       GLN   4  -6.694   1.217  -1.795
   34   1HB   GLN   4          1HB       GLN   4  -8.675   2.036  -3.171
   35   2HB   GLN   4          2HB       GLN   4  -7.961   1.245  -4.557
   36   1HG   GLN   4          2HG       GLN   4  -9.717  -0.134  -3.614
   37   2HG   GLN   4          1HG       GLN   4  -8.166  -0.949  -3.489
   38   1HE2  GLN   4          2HE2      GLN   4  -7.985  -1.933  -1.560
   39   2HE2  GLN   4          1HE2      GLN   4  -8.569  -1.376  -0.065
   40    H    CYS   5           H        CYS   5  -6.073  -0.956  -1.950
   41    HA   CYS   5           HA       CYS   5  -3.894  -1.568  -3.911
   42   1HB   CYS   5          1HB       CYS   5  -3.375  -1.916  -1.543
   43   2HB   CYS   5          2HB       CYS   5  -4.746  -3.003  -1.375
   44    H    LYS   6           H        LYS   6  -4.185  -3.208  -5.342
   45    HA   LYS   6           HA       LYS   6  -6.937  -4.361  -5.532
   46   1HB   LYS   6          1HB       LYS   6  -6.655  -4.440  -7.874
   47   2HB   LYS   6          2HB       LYS   6  -5.894  -2.936  -7.437
   48   1HG   LYS   6          2HG       LYS   6  -4.478  -5.549  -8.117
   49   2HG   LYS   6          1HG       LYS   6  -4.513  -4.095  -9.073
   50   1HD   LYS   6          2HD       LYS   6  -3.236  -2.877  -7.318
   51   2HD   LYS   6          1HD       LYS   6  -3.166  -4.348  -6.354
   52   1HE   LYS   6          2HE       LYS   6  -2.024  -5.533  -8.225
   53   2HE   LYS   6          1HE       LYS   6  -1.999  -4.028  -9.135
   54   1HZ   LYS   6          1HZ       LYS   6  -0.984  -3.523  -6.583
   55   2HZ   LYS   6          2HZ       LYS   6  -0.179  -3.457  -8.074
   56   3HZ   LYS   6          3HZ       LYS   6  -0.219  -4.909  -7.198
   57    H    THR   7           H        THR   7  -4.494  -5.172  -3.945
   58    HA   THR   7           HA       THR   7  -4.281  -8.002  -4.860
   59    HB   THR   7           HB       THR   7  -2.287  -6.400  -3.130
   60    HG1  THR   7           HG1      THR   7  -1.513  -7.133  -5.607
   61   1HG2  THR   7          1HG2      THR   7  -2.027  -9.022  -4.727
   62   2HG2  THR   7          2HG2      THR   7  -2.186  -8.979  -2.980
   63   3HG2  THR   7          3HG2      THR   7  -0.770  -8.290  -3.753
   64    H    CYS   8           H        CYS   8  -4.617  -5.821  -2.047
   65    HA   CYS   8           HA       CYS   8  -5.951  -8.105  -0.621
   66   1HB   CYS   8          1HB       CYS   8  -4.899  -7.477   1.417
   67   2HB   CYS   8          2HB       CYS   8  -3.636  -7.715   0.209
   68    H    GLN   9           H        GLN   9  -6.580  -5.356  -1.978
   69    HA   GLN   9           HA       GLN   9  -8.093  -3.609  -1.696
   70   1HB   GLN   9          1HB       GLN   9  -9.541  -5.704  -0.050
   71   2HB   GLN   9          2HB       GLN   9 -10.275  -4.284  -0.748
   72   1HG   GLN   9          2HG       GLN   9  -9.034  -6.586  -2.317
   73   2HG   GLN   9          1HG       GLN   9 -10.742  -6.208  -2.165
   74   1HE2  GLN   9          2HE2      GLN   9  -8.270  -5.931  -4.294
   75   2HE2  GLN   9          1HE2      GLN   9  -8.774  -4.551  -5.145
   76    H    ARG  10           H        ARG  10  -6.183  -2.973  -0.268
   77    HA   ARG  10           HA       ARG  10  -7.095  -2.151   2.470
   78   1HB   ARG  10          1HB       ARG  10  -5.062  -3.733   2.188
   79   2HB   ARG  10          2HB       ARG  10  -4.226  -2.363   1.454
   80   1HG   ARG  10          2HG       ARG  10  -4.649  -1.092   3.616
   81   2HG   ARG  10          1HG       ARG  10  -5.338  -2.570   4.282
   82   1HD   ARG  10          2HD       ARG  10  -3.120  -3.729   3.567
   83   2HD   ARG  10          1HD       ARG  10  -2.482  -2.111   3.343
   84    HE   ARG  10           HE       ARG  10  -3.068  -1.727   5.793
   85   1HH1  ARG  10          2HH2      ARG  10  -4.181  -4.685   5.643
   86   2HH1  ARG  10          1HH2      ARG  10  -2.962  -5.486   6.576
   87   1HH2  ARG  10          1HH1      ARG  10  -0.776  -2.754   6.432
   88   2HH2  ARG  10          2HH1      ARG  10  -0.979  -4.366   7.036
   89    H    LYS  11           H        LYS  11  -6.458   0.192   2.932
   90    HA   LYS  11           HA       LYS  11  -6.170   1.649   0.327
   91   1HB   LYS  11          1HB       LYS  11  -7.435   3.509   1.270
   92   2HB   LYS  11          2HB       LYS  11  -8.367   2.042   1.472
   93   1HG   LYS  11          2HG       LYS  11  -7.915   1.935   3.815
   94   2HG   LYS  11          1HG       LYS  11  -6.573   3.054   3.718
   95   1HD   LYS  11          2HD       LYS  11  -8.229   4.848   2.989
   96   2HD   LYS  11          1HD       LYS  11  -9.528   3.710   3.306
   97   1HE   LYS  11          2HE       LYS  11  -9.161   5.181   5.262
   98   2HE   LYS  11          1HE       LYS  11  -8.741   3.528   5.687
   99   1HZ   LYS  11          1HZ       LYS  11  -6.481   4.790   4.609
  100   2HZ   LYS  11          2HZ       LYS  11  -6.718   4.187   6.179
  101   3HZ   LYS  11          3HZ       LYS  11  -7.135   5.793   5.811
  102    H    PHE  12           H        PHE  12  -5.267   3.783   0.467
  103    HA   PHE  12           HA       PHE  12  -3.213   4.225   2.563
  104   1HB   PHE  12          1HB       PHE  12  -2.637   4.042  -0.447
  105   2HB   PHE  12          2HB       PHE  12  -1.466   4.549   0.745
  106    HD1  PHE  12           HD1      PHE  12  -0.753   2.976   2.547
  107    HD2  PHE  12           HD2      PHE  12  -3.342   1.732  -0.592
  108    HE1  PHE  12           HE1      PHE  12  -0.376   0.621   3.166
  109    HE2  PHE  12           HE2      PHE  12  -2.963  -0.612   0.014
  110    HZ   PHE  12           HZ       PHE  12  -1.487  -1.159   1.897
  111    H    SER  13           H        SER  13  -1.935   6.297   1.590
  112    HA   SER  13           HA       SER  13  -4.020   8.417   1.336
  113   1HB   SER  13          2HB       SER  13  -2.165   9.880   2.342
  114   2HB   SER  13          1HB       SER  13  -2.758   8.626   3.414
  115    HG   SER  13           HG       SER  13  -0.306   8.906   2.383
  116    H    ARG  14           H        ARG  14  -0.940   7.237   0.031
  117    HA   ARG  14           HA       ARG  14  -1.359   9.067  -2.320
  118   1HB   ARG  14          1HB       ARG  14   1.373   8.198  -1.333
  119   2HB   ARG  14          2HB       ARG  14   0.976   9.375  -2.584
  120   1HG   ARG  14          2HG       ARG  14  -0.120  10.814  -0.854
  121   2HG   ARG  14          1HG       ARG  14   0.463   9.720   0.376
  122   1HD   ARG  14          2HD       ARG  14   2.436  10.962   0.351
  123   2HD   ARG  14          1HD       ARG  14   2.761  10.232  -1.196
  124    HE   ARG  14           HE       ARG  14   1.626  12.140  -2.288
  125   1HH1  ARG  14          2HH2      ARG  14   0.678  12.765   0.692
  126   2HH1  ARG  14          1HH2      ARG  14   1.468  14.293   0.910
  127   1HH2  ARG  14          1HH1      ARG  14   3.475  13.888  -1.932
  128   2HH2  ARG  14          2HH1      ARG  14   3.090  14.939  -0.611
  129    H    SER  15           H        SER  15   0.027   8.310  -4.180
  130    HA   SER  15           HA       SER  15  -0.736   5.552  -4.834
  131   1HB   SER  15          2HB       SER  15   0.010   6.206  -7.139
  132   2HB   SER  15          1HB       SER  15  -0.989   7.468  -6.465
  133    HG   SER  15           HG       SER  15   0.647   8.744  -6.545
  134    H    ASP  16           H        ASP  16   2.215   7.446  -4.395
  135    HA   ASP  16           HA       ASP  16   4.045   5.311  -5.008
  136   1HB   ASP  16          1HB       ASP  16   5.755   6.814  -3.941
  137   2HB   ASP  16          2HB       ASP  16   4.739   7.727  -5.055
  138    H    HIS  17           H        HIS  17   2.207   6.359  -2.241
  139    HA   HIS  17           HA       HIS  17   3.653   4.815  -0.300
  140   1HB   HIS  17          1HB       HIS  17   0.753   5.874  -0.282
  141   2HB   HIS  17          2HB       HIS  17   1.480   5.054   1.080
  142    HD1  HIS  17           HD1      HIS  17   0.792   7.821   1.764
  143    HD2  HIS  17           HD2      HIS  17   4.363   7.084  -0.049
  144    HE1  HIS  17           HE1      HIS  17   2.229   9.715   2.279
  145    H    LEU  18           H        LEU  18   0.460   4.344  -1.828
  146    HA   LEU  18           HA       LEU  18  -0.185   1.771  -1.219
  147   1HB   LEU  18          1HB       LEU  18  -1.622   3.099  -2.656
  148   2HB   LEU  18          2HB       LEU  18  -0.391   3.209  -3.906
  149    HG   LEU  18           HG       LEU  18  -0.557   0.697  -4.217
  150   1HD1  LEU  18          1HD1      LEU  18  -2.971   0.911  -2.422
  151   2HD1  LEU  18          2HD1      LEU  18  -1.449   0.135  -1.983
  152   3HD1  LEU  18          3HD1      LEU  18  -2.401  -0.498  -3.297
  153   1HD2  LEU  18          1HD2      LEU  18  -1.788   2.297  -5.678
  154   2HD2  LEU  18          2HD2      LEU  18  -3.141   2.278  -4.562
  155   3HD2  LEU  18          3HD2      LEU  18  -2.703   0.823  -5.443
  156    H    LYS  19           H        LYS  19   1.905   2.677  -3.916
  157    HA   LYS  19           HA       LYS  19   2.647   0.191  -4.888
  158   1HB   LYS  19          1HB       LYS  19   3.286   2.333  -5.941
  159   2HB   LYS  19          2HB       LYS  19   4.275   2.746  -4.560
  160   1HG   LYS  19          2HG       LYS  19   5.692   0.648  -5.109
  161   2HG   LYS  19          1HG       LYS  19   4.756   0.519  -6.583
  162   1HD   LYS  19          2HD       LYS  19   6.823   1.717  -7.077
  163   2HD   LYS  19          1HD       LYS  19   5.486   2.838  -7.215
  164   1HE   LYS  19          2HE       LYS  19   7.413   3.841  -5.981
  165   2HE   LYS  19          1HE       LYS  19   6.006   3.767  -4.943
  166   1HZ   LYS  19          1HZ       LYS  19   7.446   1.361  -4.721
  167   2HZ   LYS  19          2HZ       LYS  19   7.163   2.526  -3.527
  168   3HZ   LYS  19          3HZ       LYS  19   8.518   2.660  -4.538
  169    H    THR  20           H        THR  20   4.712   2.042  -2.705
  170    HA   THR  20           HA       THR  20   6.572   0.202  -1.943
  171    HB   THR  20           HB       THR  20   5.146   2.246  -0.132
  172    HG1  THR  20           HG1      THR  20   5.936   3.230  -1.887
  173   1HG2  THR  20          1HG2      THR  20   8.030   1.169  -0.083
  174   2HG2  THR  20          2HG2      THR  20   6.808   0.666   1.078
  175   3HG2  THR  20          3HG2      THR  20   7.340   2.339   1.033
  176    H    HIS  21           H        HIS  21   3.365   0.534  -0.604
  177    HA   HIS  21           HA       HIS  21   3.458  -1.471   1.391
  178   1HB   HIS  21          1HB       HIS  21   1.490  -0.223   1.586
  179   2HB   HIS  21          2HB       HIS  21   1.191  -0.118  -0.125
  180    HD1  HIS  21           HD1      HIS  21   0.974  -2.612   2.642
  181    HD2  HIS  21           HD2      HIS  21  -0.548  -2.134  -1.149
  182    HE1  HIS  21           HE1      HIS  21  -0.658  -4.432   2.293
  183    H    THR  22           H        THR  22   2.036  -1.780  -1.801
  184    HA   THR  22           HA       THR  22   1.353  -4.404  -2.006
  185    HB   THR  22           HB       THR  22   2.760  -2.948  -4.292
  186    HG1  THR  22           HG1      THR  22   0.125  -2.594  -4.213
  187   1HG2  THR  22          1HG2      THR  22   0.279  -4.742  -4.234
  188   2HG2  THR  22          2HG2      THR  22   1.867  -5.321  -4.716
  189   3HG2  THR  22          3HG2      THR  22   1.063  -4.085  -5.662
  190    H    ARG  23           H        ARG  23   4.536  -3.112  -1.931
  191    HA   ARG  23           HA       ARG  23   5.772  -5.532  -2.890
  192   1HB   ARG  23          1HB       ARG  23   7.132  -3.284  -1.327
  193   2HB   ARG  23          2HB       ARG  23   7.920  -4.447  -2.362
  194   1HG   ARG  23          2HG       ARG  23   5.974  -2.304  -3.291
  195   2HG   ARG  23          1HG       ARG  23   7.712  -2.250  -3.464
  196   1HD   ARG  23          2HD       ARG  23   5.880  -4.301  -4.794
  197   2HD   ARG  23          1HD       ARG  23   6.697  -2.960  -5.583
  198    HE   ARG  23           HE       ARG  23   8.872  -4.087  -4.856
  199   1HH1  ARG  23          1HH1      ARG  23   7.339  -6.296  -3.409
  200   2HH1  ARG  23          2HH1      ARG  23   7.452  -7.587  -4.558
  201   1HH2  ARG  23          2HH2      ARG  23   8.439  -5.477  -7.158
  202   2HH2  ARG  23          1HH2      ARG  23   8.094  -7.117  -6.717
  203    H    THR  24           H        THR  24   4.020  -5.928  -0.787
  204    HA   THR  24           HA       THR  24   5.678  -7.111   1.373
  205    HB   THR  24           HB       THR  24   4.194  -5.047   2.124
  206    HG1  THR  24           HG1      THR  24   4.600  -7.470   3.154
  207   1HG2  THR  24          1HG2      THR  24   1.950  -7.136   1.803
  208   2HG2  THR  24          2HG2      THR  24   2.083  -5.766   0.718
  209   3HG2  THR  24          3HG2      THR  24   1.789  -5.510   2.428
  210    H    HIS  25           H        HIS  25   3.580  -7.355  -1.212
  211    HA   HIS  25           HA       HIS  25   2.385  -9.932  -0.473
  212   1HB   HIS  25          1HB       HIS  25   2.027  -8.189  -2.972
  213   2HB   HIS  25          2HB       HIS  25   1.143  -9.663  -2.638
  214    HD1  HIS  25           HD1      HIS  25   0.105  -9.260   0.071
  215    HD2  HIS  25           HD2      HIS  25   0.261  -6.096  -2.537
  216    HE1  HIS  25           HE1      HIS  25  -1.551  -7.619   0.865
  217    H    THR  26           H        THR  26   4.531  -8.428  -2.777
  218    HA   THR  26           HA       THR  26   5.378 -11.136  -3.718
  219    HB   THR  26           HB       THR  26   5.641  -8.438  -5.150
  220    HG1  THR  26           HG1      THR  26   3.642 -10.198  -4.749
  221   1HG2  THR  26          1HG2      THR  26   5.937 -11.327  -6.175
  222   2HG2  THR  26          2HG2      THR  26   7.308 -10.260  -5.900
  223   3HG2  THR  26          3HG2      THR  26   6.118  -9.863  -7.126
  224    H    GLY  27           H        GLY  27   6.588  -8.117  -2.592
  225   1HA   GLY  27          1HA       GLY  27   9.361  -9.299  -2.433
  226   2HA   GLY  27          2HA       GLY  27   9.055  -7.585  -2.622
  227    H    GLU  28           H        GLU  28   8.040 -10.177  -0.463
  228    HA   GLU  28           HA       GLU  28   7.636  -8.588   1.841
  229   1HB   GLU  28          1HB       GLU  28   6.948 -11.032   1.427
  230   2HB   GLU  28          2HB       GLU  28   8.594 -11.493   1.770
  231   1HG   GLU  28          2HG       GLU  28   7.550 -11.826   3.846
  232   2HG   GLU  28          1HG       GLU  28   8.229 -10.242   4.084
  233    H    LYS  29           H        LYS  29   8.961  -8.606   3.836
  234    HA   LYS  29           HA       LYS  29  11.903  -8.454   3.276
  235   1HB   LYS  29          1HB       LYS  29  11.964  -6.619   4.947
  236   2HB   LYS  29          2HB       LYS  29  10.893  -6.228   3.619
  237   1HG   LYS  29          2HG       LYS  29   8.935  -6.981   5.005
  238   2HG   LYS  29          1HG       LYS  29  10.016  -7.282   6.356
  239   1HD   LYS  29          2HD       LYS  29  10.730  -4.880   6.302
  240   2HD   LYS  29          1HD       LYS  29   9.593  -4.588   4.996
  241   1HE   LYS  29          2HE       LYS  29   8.843  -5.582   7.788
  242   2HE   LYS  29          1HE       LYS  29   8.619  -3.945   7.191
  243   1HZ   LYS  29          1HZ       LYS  29   7.468  -5.694   5.345
  244   2HZ   LYS  29          2HZ       LYS  29   6.703  -4.553   6.347
  245   3HZ   LYS  29          3HZ       LYS  29   6.936  -6.140   6.895
  Start of MODEL   29
    1   1H    LYS   1          1H        LYS   1  -7.438  11.054  -2.880
    2   2H    LYS   1          2H        LYS   1  -7.691  11.879  -4.340
    3   3H    LYS   1          3H        LYS   1  -6.388  12.309  -3.337
    4    HA   LYS   1           HA       LYS   1  -6.455  10.415  -5.406
    5   1HB   LYS   1          2HB       LYS   1  -4.257  11.058  -3.377
    6   2HB   LYS   1          1HB       LYS   1  -4.039  10.295  -4.945
    7   1HG   LYS   1          2HG       LYS   1  -4.803  12.308  -6.098
    8   2HG   LYS   1          1HG       LYS   1  -5.149  13.100  -4.568
    9   1HD   LYS   1          2HD       LYS   1  -2.723  12.854  -3.933
   10   2HD   LYS   1          1HD       LYS   1  -2.400  12.178  -5.518
   11   1HE   LYS   1          2HE       LYS   1  -3.542  14.953  -4.993
   12   2HE   LYS   1          1HE       LYS   1  -1.885  14.610  -5.457
   13   1HZ   LYS   1          1HZ       LYS   1  -3.579  13.342  -7.281
   14   2HZ   LYS   1          2HZ       LYS   1  -2.497  14.622  -7.550
   15   3HZ   LYS   1          3HZ       LYS   1  -4.103  14.946  -7.106
   16    HA   PRO   2           HA       PRO   2  -7.165   7.111  -2.263
   17   1HB   PRO   2          1HB       PRO   2  -9.334   6.146  -4.029
   18   2HB   PRO   2          2HB       PRO   2  -9.440   6.669  -2.353
   19   1HG   PRO   2          2HG       PRO   2 -10.519   8.169  -4.382
   20   2HG   PRO   2          1HG       PRO   2  -9.814   8.949  -2.962
   21   1HD   PRO   2          1HD       PRO   2  -8.446   8.406  -5.659
   22   2HD   PRO   2          2HD       PRO   2  -8.565   9.945  -4.770
   23    H    PHE   3           H        PHE   3  -5.878   5.544  -2.394
   24    HA   PHE   3           HA       PHE   3  -5.273   4.194  -5.002
   25   1HB   PHE   3          1HB       PHE   3  -3.567   4.626  -2.500
   26   2HB   PHE   3          2HB       PHE   3  -3.060   3.667  -3.875
   27    HD1  PHE   3           HD1      PHE   3  -2.747   4.795  -6.124
   28    HD2  PHE   3           HD2      PHE   3  -3.519   7.001  -2.566
   29    HE1  PHE   3           HE1      PHE   3  -1.978   6.848  -7.228
   30    HE2  PHE   3           HE2      PHE   3  -2.760   9.053  -3.676
   31    HZ   PHE   3           HZ       PHE   3  -1.990   8.983  -6.005
   32    H    GLN   4           H        GLN   4  -5.328   1.949  -4.942
   33    HA   GLN   4           HA       GLN   4  -6.300   0.690  -2.412
   34   1HB   GLN   4          1HB       GLN   4  -8.215   0.960  -3.937
   35   2HB   GLN   4          2HB       GLN   4  -7.300   0.298  -5.269
   36   1HG   GLN   4          2HG       GLN   4  -8.834  -1.417  -4.489
   37   2HG   GLN   4          1HG       GLN   4  -7.218  -1.933  -4.078
   38   1HE2  GLN   4          2HE2      GLN   4 -10.216  -2.009  -2.848
   39   2HE2  GLN   4          1HE2      GLN   4  -9.891  -1.855  -1.189
   40    H    CYS   5           H        CYS   5  -5.696  -1.468  -2.082
   41    HA   CYS   5           HA       CYS   5  -3.257  -2.316  -3.576
   42   1HB   CYS   5          1HB       CYS   5  -3.006  -2.188  -1.166
   43   2HB   CYS   5          2HB       CYS   5  -4.453  -3.156  -0.916
   44    H    LYS   6           H        LYS   6  -3.399  -4.110  -4.808
   45    HA   LYS   6           HA       LYS   6  -6.106  -5.319  -5.107
   46   1HB   LYS   6          1HB       LYS   6  -3.689  -5.530  -6.934
   47   2HB   LYS   6          2HB       LYS   6  -5.325  -6.028  -7.317
   48   1HG   LYS   6          2HG       LYS   6  -4.365  -3.171  -6.823
   49   2HG   LYS   6          1HG       LYS   6  -4.871  -3.858  -8.349
   50   1HD   LYS   6          2HD       LYS   6  -7.188  -4.182  -7.414
   51   2HD   LYS   6          1HD       LYS   6  -6.671  -3.401  -5.928
   52   1HE   LYS   6          2HE       LYS   6  -6.086  -1.342  -7.187
   53   2HE   LYS   6          1HE       LYS   6  -6.632  -2.101  -8.677
   54   1HZ   LYS   6          1HZ       LYS   6  -8.647  -2.368  -6.757
   55   2HZ   LYS   6          2HZ       LYS   6  -8.667  -1.488  -8.209
   56   3HZ   LYS   6          3HZ       LYS   6  -8.144  -0.747  -6.774
   57    H    THR   7           H        THR   7  -4.077  -5.946  -3.009
   58    HA   THR   7           HA       THR   7  -3.928  -8.891  -3.455
   59    HB   THR   7           HB       THR   7  -1.998  -7.064  -1.892
   60    HG1  THR   7           HG1      THR   7  -0.847  -7.409  -3.667
   61   1HG2  THR   7          1HG2      THR   7  -2.038 -10.133  -2.254
   62   2HG2  THR   7          2HG2      THR   7  -2.461  -9.337  -0.745
   63   3HG2  THR   7          3HG2      THR   7  -0.836  -9.238  -1.359
   64    H    CYS   8           H        CYS   8  -4.368  -6.249  -1.089
   65    HA   CYS   8           HA       CYS   8  -6.076  -8.145   0.497
   66   1HB   CYS   8          1HB       CYS   8  -5.277  -7.164   2.511
   67   2HB   CYS   8          2HB       CYS   8  -3.889  -7.748   1.583
   68    H    GLN   9           H        GLN   9  -6.379  -5.641  -1.406
   69    HA   GLN   9           HA       GLN   9  -7.834  -3.813  -1.594
   70   1HB   GLN   9          1HB       GLN   9  -9.538  -5.644   0.190
   71   2HB   GLN   9          2HB       GLN   9 -10.164  -4.303  -0.747
   72   1HG   GLN   9          2HG       GLN   9  -8.810  -6.793  -1.874
   73   2HG   GLN   9          1HG       GLN   9 -10.523  -6.409  -1.973
   74   1HE2  GLN   9          2HE2      GLN   9  -7.665  -6.241  -3.695
   75   2HE2  GLN   9          1HE2      GLN   9  -8.085  -5.019  -4.794
   76    H    ARG  10           H        ARG  10  -6.032  -3.139  -0.160
   77    HA   ARG  10           HA       ARG  10  -7.024  -1.768   2.308
   78   1HB   ARG  10          1HB       ARG  10  -5.223  -3.497   2.601
   79   2HB   ARG  10          2HB       ARG  10  -4.189  -2.566   1.510
   80   1HG   ARG  10          2HG       ARG  10  -4.074  -0.732   3.046
   81   2HG   ARG  10          1HG       ARG  10  -5.372  -1.359   4.036
   82   1HD   ARG  10          2HD       ARG  10  -2.668  -2.703   3.659
   83   2HD   ARG  10          1HD       ARG  10  -3.120  -1.840   5.105
   84    HE   ARG  10           HE       ARG  10  -4.100  -4.501   4.276
   85   1HH1  ARG  10          1HH1      ARG  10  -6.490  -3.045   5.017
   86   2HH1  ARG  10          2HH1      ARG  10  -6.601  -3.268   6.732
   87   1HH2  ARG  10          2HH2      ARG  10  -3.239  -4.245   6.993
   88   2HH2  ARG  10          1HH2      ARG  10  -4.701  -3.969   7.879
   89    H    LYS  11           H        LYS  11  -7.092   0.393   2.107
   90    HA   LYS  11           HA       LYS  11  -5.975   1.510  -0.410
   91   1HB   LYS  11          1HB       LYS  11  -7.610   3.344  -0.082
   92   2HB   LYS  11          2HB       LYS  11  -8.368   1.769  -0.150
   93   1HG   LYS  11          2HG       LYS  11  -8.405   1.776   2.408
   94   2HG   LYS  11          1HG       LYS  11  -7.827   3.434   2.351
   95   1HD   LYS  11          2HD       LYS  11  -9.833   3.979   0.859
   96   2HD   LYS  11          1HD       LYS  11 -10.399   2.340   1.131
   97   1HE   LYS  11          2HE       LYS  11 -11.540   3.811   2.701
   98   2HE   LYS  11          1HE       LYS  11 -10.422   2.804   3.606
   99   1HZ   LYS  11          1HZ       LYS  11  -9.056   5.092   2.768
  100   2HZ   LYS  11          2HZ       LYS  11  -9.443   4.611   4.349
  101   3HZ   LYS  11          3HZ       LYS  11 -10.524   5.583   3.469
  102    H    PHE  12           H        PHE  12  -5.265   3.656  -0.433
  103    HA   PHE  12           HA       PHE  12  -3.917   4.659   2.016
  104   1HB   PHE  12          1HB       PHE  12  -2.537   4.127  -0.673
  105   2HB   PHE  12          2HB       PHE  12  -1.774   4.822   0.745
  106    HD1  PHE  12           HD1      PHE  12  -1.444   3.454   2.787
  107    HD2  PHE  12           HD2      PHE  12  -3.052   1.668  -0.751
  108    HE1  PHE  12           HE1      PHE  12  -1.022   1.223   3.699
  109    HE2  PHE  12           HE2      PHE  12  -2.624  -0.546   0.176
  110    HZ   PHE  12           HZ       PHE  12  -1.611  -0.775   2.404
  111    H    SER  13           H        SER  13  -2.811   6.800   1.444
  112    HA   SER  13           HA       SER  13  -4.794   8.541   0.063
  113   1HB   SER  13          2HB       SER  13  -3.779  10.375   1.421
  114   2HB   SER  13          1HB       SER  13  -4.289   9.065   2.470
  115    HG   SER  13           HG       SER  13  -1.830  10.010   2.094
  116    H    ARG  14           H        ARG  14  -1.510   7.518   0.039
  117    HA   ARG  14           HA       ARG  14  -0.892   9.309  -2.282
  118   1HB   ARG  14          1HB       ARG  14   0.978   8.151  -0.184
  119   2HB   ARG  14          2HB       ARG  14   1.462   9.144  -1.549
  120   1HG   ARG  14          2HG       ARG  14   0.304  11.044  -0.797
  121   2HG   ARG  14          1HG       ARG  14  -0.571  10.145   0.436
  122   1HD   ARG  14          2HD       ARG  14   1.542   9.666   1.594
  123   2HD   ARG  14          1HD       ARG  14   2.444  10.564   0.381
  124    HE   ARG  14           HE       ARG  14   1.124  12.570   1.078
  125   1HH1  ARG  14          2HH2      ARG  14  -0.591  10.460   2.828
  126   2HH1  ARG  14          1HH2      ARG  14  -0.135  11.036   4.384
  127   1HH2  ARG  14          1HH1      ARG  14   2.473  13.024   3.215
  128   2HH2  ARG  14          2HH1      ARG  14   1.599  12.498   4.619
  129    H    SER  15           H        SER  15   0.713   8.450  -3.730
  130    HA   SER  15           HA       SER  15   0.027   5.712  -4.560
  131   1HB   SER  15          2HB       SER  15   1.366   6.353  -6.624
  132   2HB   SER  15          1HB       SER  15   0.124   7.521  -6.252
  133    HG   SER  15           HG       SER  15   2.216   8.204  -4.789
  134    H    ASP  16           H        ASP  16   2.754   7.563  -3.435
  135    HA   ASP  16           HA       ASP  16   4.794   5.593  -3.688
  136   1HB   ASP  16          1HB       ASP  16   5.834   7.048  -1.724
  137   2HB   ASP  16          2HB       ASP  16   5.600   7.795  -3.300
  138    H    HIS  17           H        HIS  17   2.376   6.384  -1.280
  139    HA   HIS  17           HA       HIS  17   3.367   4.584   0.676
  140   1HB   HIS  17          1HB       HIS  17   0.631   5.858   0.201
  141   2HB   HIS  17          2HB       HIS  17   0.826   4.677   1.487
  142    HD1  HIS  17           HD1      HIS  17   0.279   7.039   2.836
  143    HD2  HIS  17           HD2      HIS  17   4.054   6.680   1.332
  144    HE1  HIS  17           HE1      HIS  17   1.669   8.664   4.050
  145    H    LEU  18           H        LEU  18   0.530   4.281  -1.474
  146    HA   LEU  18           HA       LEU  18  -0.165   1.663  -1.180
  147   1HB   LEU  18          1HB       LEU  18  -1.317   3.121  -2.771
  148   2HB   LEU  18          2HB       LEU  18   0.106   3.200  -3.803
  149    HG   LEU  18           HG       LEU  18  -0.105   0.606  -4.038
  150   1HD1  LEU  18          1HD1      LEU  18  -1.518   0.210  -2.097
  151   2HD1  LEU  18          2HD1      LEU  18  -2.220  -0.401  -3.575
  152   3HD1  LEU  18          3HD1      LEU  18  -2.827   1.091  -2.869
  153   1HD2  LEU  18          1HD2      LEU  18  -0.727   2.197  -5.839
  154   2HD2  LEU  18          2HD2      LEU  18  -2.345   2.328  -5.181
  155   3HD2  LEU  18          3HD2      LEU  18  -1.781   0.794  -5.809
  156    H    LYS  19           H        LYS  19   2.353   2.724  -3.482
  157    HA   LYS  19           HA       LYS  19   3.146   0.187  -4.339
  158   1HB   LYS  19          1HB       LYS  19   4.796   2.723  -4.006
  159   2HB   LYS  19          2HB       LYS  19   5.366   1.300  -4.863
  160   1HG   LYS  19          2HG       LYS  19   2.798   1.807  -5.970
  161   2HG   LYS  19          1HG       LYS  19   3.489   3.399  -5.750
  162   1HD   LYS  19          2HD       LYS  19   4.826   1.113  -7.239
  163   2HD   LYS  19          1HD       LYS  19   4.018   2.474  -7.989
  164   1HE   LYS  19          2HE       LYS  19   5.677   4.024  -6.916
  165   2HE   LYS  19          1HE       LYS  19   6.502   2.636  -6.222
  166   1HZ   LYS  19          1HZ       LYS  19   6.143   2.162  -8.945
  167   2HZ   LYS  19          2HZ       LYS  19   7.590   2.376  -8.085
  168   3HZ   LYS  19          3HZ       LYS  19   6.802   3.717  -8.764
  169    H    THR  20           H        THR  20   4.890   2.080  -1.846
  170    HA   THR  20           HA       THR  20   6.673   0.138  -1.053
  171    HB   THR  20           HB       THR  20   5.175   2.097   0.827
  172    HG1  THR  20           HG1      THR  20   6.049   3.203  -0.797
  173   1HG2  THR  20          1HG2      THR  20   8.051   0.997   0.908
  174   2HG2  THR  20          2HG2      THR  20   6.787   0.393   1.966
  175   3HG2  THR  20          3HG2      THR  20   7.317   2.063   2.094
  176    H    HIS  21           H        HIS  21   3.387   0.499  -0.022
  177    HA   HIS  21           HA       HIS  21   3.308  -1.604   1.891
  178   1HB   HIS  21          1HB       HIS  21   1.505  -0.021   1.885
  179   2HB   HIS  21          2HB       HIS  21   1.129  -0.289   0.200
  180    HD1  HIS  21           HD1      HIS  21   0.774  -1.981   3.490
  181    HD2  HIS  21           HD2      HIS  21  -0.351  -2.569  -0.396
  182    HE1  HIS  21           HE1      HIS  21  -0.834  -3.853   3.506
  183    H    THR  22           H        THR  22   1.977  -1.735  -1.437
  184    HA   THR  22           HA       THR  22   1.402  -4.426  -1.557
  185    HB   THR  22           HB       THR  22   1.904  -3.908  -4.158
  186    HG1  THR  22           HG1      THR  22   2.632  -2.011  -4.401
  187   1HG2  THR  22          1HG2      THR  22  -0.227  -2.439  -2.541
  188   2HG2  THR  22          2HG2      THR  22  -0.381  -4.111  -3.067
  189   3HG2  THR  22          3HG2      THR  22  -0.314  -2.819  -4.250
  190    H    ARG  23           H        ARG  23   4.369  -2.823  -2.367
  191    HA   ARG  23           HA       ARG  23   5.972  -4.522  -3.613
  192   1HB   ARG  23          1HB       ARG  23   6.513  -2.266  -2.493
  193   2HB   ARG  23          2HB       ARG  23   6.883  -3.174  -1.039
  194   1HG   ARG  23          2HG       ARG  23   8.611  -4.479  -2.333
  195   2HG   ARG  23          1HG       ARG  23   8.262  -3.486  -3.737
  196   1HD   ARG  23          2HD       ARG  23   9.309  -2.462  -1.062
  197   2HD   ARG  23          1HD       ARG  23  10.237  -2.589  -2.553
  198    HE   ARG  23           HE       ARG  23   7.892  -0.754  -2.209
  199   1HH1  ARG  23          1HH1      ARG  23  11.056  -0.295  -2.177
  200   2HH1  ARG  23          2HH1      ARG  23  11.200   0.597  -3.655
  201   1HH2  ARG  23          2HH2      ARG  23   7.957  -0.223  -4.696
  202   2HH2  ARG  23          1HH2      ARG  23   9.400   0.637  -5.116
  203    H    THR  24           H        THR  24   4.869  -5.009  -0.351
  204    HA   THR  24           HA       THR  24   6.663  -7.206   0.241
  205    HB   THR  24           HB       THR  24   5.640  -5.568   2.010
  206    HG1  THR  24           HG1      THR  24   6.227  -7.198   3.166
  207   1HG2  THR  24          1HG2      THR  24   3.242  -7.500   1.834
  208   2HG2  THR  24          2HG2      THR  24   3.140  -5.871   1.210
  209   3HG2  THR  24          3HG2      THR  24   3.416  -6.138   2.921
  210    H    HIS  25           H        HIS  25   3.160  -6.995  -0.524
  211    HA   HIS  25           HA       HIS  25   3.340  -9.902  -1.222
  212   1HB   HIS  25          1HB       HIS  25   1.166 -10.256  -0.256
  213   2HB   HIS  25          2HB       HIS  25   2.237  -9.471   0.877
  214    HD1  HIS  25           HD1      HIS  25  -0.083  -9.248   1.972
  215    HD2  HIS  25           HD2      HIS  25   0.533  -6.549  -1.058
  216    HE1  HIS  25           HE1      HIS  25  -1.706  -7.435   2.314
  217    H    THR  26           H        THR  26   3.790  -7.974  -3.088
  218    HA   THR  26           HA       THR  26   1.597  -8.526  -5.001
  219    HB   THR  26           HB       THR  26   2.863  -5.742  -4.644
  220    HG1  THR  26           HG1      THR  26   0.368  -6.913  -3.873
  221   1HG2  THR  26          1HG2      THR  26   0.428  -6.689  -6.257
  222   2HG2  THR  26          2HG2      THR  26   1.973  -6.290  -6.989
  223   3HG2  THR  26          3HG2      THR  26   1.040  -5.042  -6.182
  224    H    GLY  27           H        GLY  27   4.774  -7.306  -4.426
  225   1HA   GLY  27          1HA       GLY  27   5.746  -8.509  -7.013
  226   2HA   GLY  27          2HA       GLY  27   6.405  -7.018  -6.342
  227    H    GLU  28           H        GLU  28   5.583 -10.164  -5.015
  228    HA   GLU  28           HA       GLU  28   8.378 -10.497  -3.986
  229   1HB   GLU  28          1HB       GLU  28   6.666  -9.818  -2.264
  230   2HB   GLU  28          2HB       GLU  28   5.775 -11.286  -2.598
  231   1HG   GLU  28          2HG       GLU  28   7.917 -12.581  -1.946
  232   2HG   GLU  28          1HG       GLU  28   8.586 -11.040  -1.439
  233    H    LYS  29           H        LYS  29   8.293 -11.504  -6.219
  234    HA   LYS  29           HA       LYS  29   7.485 -14.386  -6.039
  235   1HB   LYS  29          1HB       LYS  29   7.666 -12.636  -8.529
  236   2HB   LYS  29          2HB       LYS  29   7.184 -14.317  -8.502
  237   1HG   LYS  29          2HG       LYS  29   5.688 -12.080  -7.054
  238   2HG   LYS  29          1HG       LYS  29   5.246 -12.713  -8.621
  239   1HD   LYS  29          2HD       LYS  29   4.914 -14.982  -7.611
  240   2HD   LYS  29          1HD       LYS  29   5.352 -14.350  -6.036
  241   1HE   LYS  29          2HE       LYS  29   2.904 -14.435  -6.252
  242   2HE   LYS  29          1HE       LYS  29   3.430 -12.763  -6.130
  243   1HZ   LYS  29          1HZ       LYS  29   3.440 -13.510  -8.831
  244   2HZ   LYS  29          2HZ       LYS  29   2.470 -12.357  -8.051
  245   3HZ   LYS  29          3HZ       LYS  29   1.953 -13.974  -8.151
  Start of MODEL   30
    1   1H    LYS   1          1H        LYS   1  -6.041  12.784  -4.178
    2   2H    LYS   1          2H        LYS   1  -5.890  12.005  -2.678
    3   3H    LYS   1          3H        LYS   1  -7.195  13.050  -2.963
    4    HA   LYS   1           HA       LYS   1  -8.398  11.358  -3.650
    5   1HB   LYS   1          2HB       LYS   1  -6.606  11.941  -5.796
    6   2HB   LYS   1          1HB       LYS   1  -6.560  10.203  -5.674
    7   1HG   LYS   1          2HG       LYS   1  -8.234  10.857  -7.283
    8   2HG   LYS   1          1HG       LYS   1  -9.057  10.139  -5.921
    9   1HD   LYS   1          2HD       LYS   1  -9.568  12.463  -5.059
   10   2HD   LYS   1          1HD       LYS   1  -8.732  13.136  -6.442
   11   1HE   LYS   1          2HE       LYS   1 -11.151  13.108  -6.901
   12   2HE   LYS   1          1HE       LYS   1 -10.350  11.955  -7.954
   13   1HZ   LYS   1          1HZ       LYS   1 -11.013  10.631  -5.590
   14   2HZ   LYS   1          2HZ       LYS   1 -11.631  10.388  -7.154
   15   3HZ   LYS   1          3HZ       LYS   1 -12.384  11.486  -6.100
   16    HA   PRO   2           HA       PRO   2  -6.481   7.799  -1.621
   17   1HB   PRO   2          1HB       PRO   2  -8.516   6.152  -1.391
   18   2HB   PRO   2          2HB       PRO   2  -8.652   7.768  -0.691
   19   1HG   PRO   2          2HG       PRO   2  -9.712   6.801  -3.395
   20   2HG   PRO   2          1HG       PRO   2 -10.577   7.697  -2.145
   21   1HD   PRO   2          1HD       PRO   2  -9.313   8.934  -4.326
   22   2HD   PRO   2          2HD       PRO   2  -9.630   9.764  -2.785
   23    H    PHE   3           H        PHE   3  -5.884   5.739  -1.889
   24    HA   PHE   3           HA       PHE   3  -5.777   4.632  -4.670
   25   1HB   PHE   3          1HB       PHE   3  -3.637   4.798  -2.505
   26   2HB   PHE   3          2HB       PHE   3  -3.458   3.795  -3.933
   27    HD1  PHE   3           HD1      PHE   3  -2.846   4.785  -6.034
   28    HD2  PHE   3           HD2      PHE   3  -3.929   7.315  -2.773
   29    HE1  PHE   3           HE1      PHE   3  -2.073   6.741  -7.289
   30    HE2  PHE   3           HE2      PHE   3  -3.155   9.268  -4.041
   31    HZ   PHE   3           HZ       PHE   3  -2.233   8.987  -6.299
   32    H    GLN   4           H        GLN   4  -5.732   2.296  -4.710
   33    HA   GLN   4           HA       GLN   4  -6.574   0.981  -2.160
   34   1HB   GLN   4          1HB       GLN   4  -8.526   1.611  -3.660
   35   2HB   GLN   4          2HB       GLN   4  -7.845   0.581  -4.898
   36   1HG   GLN   4          2HG       GLN   4  -9.638  -0.591  -3.752
   37   2HG   GLN   4          1HG       GLN   4  -8.105  -1.402  -3.489
   38   1HE2  GLN   4          2HE2      GLN   4  -7.946  -2.081  -1.456
   39   2HE2  GLN   4          1HE2      GLN   4  -8.521  -1.304  -0.054
   40    H    CYS   5           H        CYS   5  -5.953  -1.195  -1.918
   41    HA   CYS   5           HA       CYS   5  -3.780  -2.120  -3.721
   42   1HB   CYS   5          1HB       CYS   5  -3.246  -2.138  -1.376
   43   2HB   CYS   5          2HB       CYS   5  -4.720  -2.985  -0.954
   44    H    LYS   6           H        LYS   6  -4.151  -3.776  -5.035
   45    HA   LYS   6           HA       LYS   6  -6.912  -4.894  -5.160
   46   1HB   LYS   6          1HB       LYS   6  -4.704  -5.216  -7.239
   47   2HB   LYS   6          2HB       LYS   6  -6.412  -5.516  -7.444
   48   1HG   LYS   6          2HG       LYS   6  -6.192  -3.471  -8.520
   49   2HG   LYS   6          1HG       LYS   6  -6.707  -2.958  -6.926
   50   1HD   LYS   6          2HD       LYS   6  -4.361  -2.429  -6.296
   51   2HD   LYS   6          1HD       LYS   6  -3.783  -3.104  -7.807
   52   1HE   LYS   6          2HE       LYS   6  -5.040  -1.318  -9.038
   53   2HE   LYS   6          1HE       LYS   6  -5.569  -0.652  -7.497
   54   1HZ   LYS   6          1HZ       LYS   6  -2.799  -1.018  -7.404
   55   2HZ   LYS   6          2HZ       LYS   6  -3.676   0.433  -7.350
   56   3HZ   LYS   6          3HZ       LYS   6  -3.175  -0.203  -8.843
   57    H    THR   7           H        THR   7  -5.002  -5.675  -3.175
   58    HA   THR   7           HA       THR   7  -4.766  -8.574  -3.824
   59    HB   THR   7           HB       THR   7  -2.664  -6.954  -2.282
   60    HG1  THR   7           HG1      THR   7  -1.882  -8.137  -4.553
   61   1HG2  THR   7          1HG2      THR   7  -2.766  -9.833  -3.420
   62   2HG2  THR   7          2HG2      THR   7  -2.891  -9.469  -1.708
   63   3HG2  THR   7          3HG2      THR   7  -1.399  -9.151  -2.566
   64    H    CYS   8           H        CYS   8  -4.818  -6.127  -1.213
   65    HA   CYS   8           HA       CYS   8  -6.285  -8.173   0.442
   66   1HB   CYS   8          1HB       CYS   8  -5.188  -7.310   2.409
   67   2HB   CYS   8          2HB       CYS   8  -3.973  -7.859   1.254
   68    H    GLN   9           H        GLN   9  -6.650  -5.498  -1.237
   69    HA   GLN   9           HA       GLN   9  -8.115  -3.737  -1.238
   70   1HB   GLN   9          1HB       GLN   9  -9.700  -5.419   0.732
   71   2HB   GLN   9          2HB       GLN   9 -10.332  -4.160  -0.298
   72   1HG   GLN   9          2HG       GLN   9  -9.152  -6.806  -1.255
   73   2HG   GLN   9          1HG       GLN   9 -10.835  -6.302  -1.320
   74   1HE2  GLN   9          2HE2      GLN   9  -8.076  -6.497  -3.192
   75   2HE2  GLN   9          1HE2      GLN   9  -8.475  -5.334  -4.361
   76    H    ARG  10           H        ARG  10  -6.163  -3.036   0.056
   77    HA   ARG  10           HA       ARG  10  -6.937  -1.782   2.671
   78   1HB   ARG  10          1HB       ARG  10  -4.935  -3.341   2.699
   79   2HB   ARG  10          2HB       ARG  10  -4.181  -2.326   1.471
   80   1HG   ARG  10          2HG       ARG  10  -4.177  -0.411   3.025
   81   2HG   ARG  10          1HG       ARG  10  -5.010  -1.362   4.243
   82   1HD   ARG  10          2HD       ARG  10  -3.132  -2.868   4.469
   83   2HD   ARG  10          1HD       ARG  10  -2.340  -2.199   3.064
   84    HE   ARG  10           HE       ARG  10  -2.225  -0.011   4.403
   85   1HH1  ARG  10          1HH1      ARG  10  -2.898  -2.853   6.237
   86   2HH1  ARG  10          2HH1      ARG  10  -1.832  -2.405   7.524
   87   1HH2  ARG  10          2HH2      ARG  10  -0.647   0.434   5.892
   88   2HH2  ARG  10          1HH2      ARG  10  -0.544  -0.527   7.331
   89    H    LYS  11           H        LYS  11  -6.591   0.531   2.719
   90    HA   LYS  11           HA       LYS  11  -6.226   1.679  -0.024
   91   1HB   LYS  11          1HB       LYS  11  -7.682   3.542   0.731
   92   2HB   LYS  11          2HB       LYS  11  -8.507   1.998   0.786
   93   1HG   LYS  11          2HG       LYS  11  -8.233   1.803   3.189
   94   2HG   LYS  11          1HG       LYS  11  -7.184   3.201   3.265
   95   1HD   LYS  11          2HD       LYS  11 -10.103   3.279   2.395
   96   2HD   LYS  11          1HD       LYS  11  -9.537   3.676   4.002
   97   1HE   LYS  11          2HE       LYS  11  -8.113   5.506   3.034
   98   2HE   LYS  11          1HE       LYS  11  -8.742   5.148   1.432
   99   1HZ   LYS  11          1HZ       LYS  11 -10.898   5.450   3.180
  100   2HZ   LYS  11          2HZ       LYS  11 -10.458   6.406   1.844
  101   3HZ   LYS  11          3HZ       LYS  11  -9.843   6.767   3.386
  102    H    PHE  12           H        PHE  12  -5.426   3.836  -0.141
  103    HA   PHE  12           HA       PHE  12  -3.653   4.736   2.063
  104   1HB   PHE  12          1HB       PHE  12  -2.733   4.187  -0.819
  105   2HB   PHE  12          2HB       PHE  12  -1.736   4.899   0.426
  106    HD1  PHE  12           HD1      PHE  12  -1.104   3.537   2.442
  107    HD2  PHE  12           HD2      PHE  12  -3.272   1.813  -0.794
  108    HE1  PHE  12           HE1      PHE  12  -0.619   1.294   3.306
  109    HE2  PHE  12           HE2      PHE  12  -2.787  -0.442   0.091
  110    HZ   PHE  12           HZ       PHE  12  -1.464  -0.687   2.111
  111    H    SER  13           H        SER  13  -2.592   6.863   1.233
  112    HA   SER  13           HA       SER  13  -4.774   8.592   0.146
  113   1HB   SER  13          2HB       SER  13  -3.622  10.441   1.397
  114   2HB   SER  13          1HB       SER  13  -4.020   9.122   2.479
  115    HG   SER  13           HG       SER  13  -1.595  10.054   1.774
  116    H    ARG  14           H        ARG  14  -1.473   7.671  -0.171
  117    HA   ARG  14           HA       ARG  14  -1.156   9.356  -2.630
  118   1HB   ARG  14          1HB       ARG  14   0.954   8.395  -0.677
  119   2HB   ARG  14          2HB       ARG  14   1.229   9.436  -2.076
  120   1HG   ARG  14          2HG       ARG  14   0.058  11.251  -1.137
  121   2HG   ARG  14          1HG       ARG  14  -0.613  10.277   0.159
  122   1HD   ARG  14          2HD       ARG  14   1.649   9.851   1.039
  123   2HD   ARG  14          1HD       ARG  14   2.370  10.828  -0.218
  124    HE   ARG  14           HE       ARG  14   1.034  12.745   0.722
  125   1HH1  ARG  14          2HH2      ARG  14  -0.398  10.591   2.601
  126   2HH1  ARG  14          1HH2      ARG  14   0.292  11.083   4.100
  127   1HH2  ARG  14          1HH1      ARG  14   2.768  13.063   2.676
  128   2HH2  ARG  14          2HH1      ARG  14   2.092  12.482   4.158
  129    H    SER  15           H        SER  15   0.819   8.347  -3.893
  130    HA   SER  15           HA       SER  15   0.042   5.539  -4.515
  131   1HB   SER  15          2HB       SER  15   1.183   5.919  -6.682
  132   2HB   SER  15          1HB       SER  15   0.094   7.256  -6.389
  133    HG   SER  15           HG       SER  15   2.790   7.260  -6.535
  134    H    ASP  16           H        ASP  16   2.750   7.561  -3.493
  135    HA   ASP  16           HA       ASP  16   4.812   5.582  -3.754
  136   1HB   ASP  16          1HB       ASP  16   6.139   7.037  -2.315
  137   2HB   ASP  16          2HB       ASP  16   5.214   8.084  -3.389
  138    H    HIS  17           H        HIS  17   2.214   6.148  -1.614
  139    HA   HIS  17           HA       HIS  17   3.229   4.478   0.531
  140   1HB   HIS  17          1HB       HIS  17   0.485   5.731  -0.020
  141   2HB   HIS  17          2HB       HIS  17   0.770   4.704   1.379
  142    HD1  HIS  17           HD1      HIS  17   0.206   7.111   2.597
  143    HD2  HIS  17           HD2      HIS  17   3.852   6.877   0.798
  144    HE1  HIS  17           HE1      HIS  17   1.576   8.921   3.555
  145    H    LEU  18           H        LEU  18   0.891   4.205  -2.114
  146    HA   LEU  18           HA       LEU  18   0.041   1.549  -1.479
  147   1HB   LEU  18          1HB       LEU  18  -1.119   3.066  -3.095
  148   2HB   LEU  18          2HB       LEU  18   0.225   2.902  -4.224
  149    HG   LEU  18           HG       LEU  18  -0.275   0.355  -4.184
  150   1HD1  LEU  18          1HD1      LEU  18  -2.845   1.297  -2.863
  151   2HD1  LEU  18          2HD1      LEU  18  -1.609   0.309  -2.094
  152   3HD1  LEU  18          3HD1      LEU  18  -2.515  -0.325  -3.446
  153   1HD2  LEU  18          1HD2      LEU  18  -0.948   1.844  -6.059
  154   2HD2  LEU  18          2HD2      LEU  18  -2.436   2.247  -5.213
  155   3HD2  LEU  18          3HD2      LEU  18  -2.160   0.609  -5.780
  156    H    LYS  19           H        LYS  19   2.659   2.769  -3.625
  157    HA   LYS  19           HA       LYS  19   3.670   0.296  -4.503
  158   1HB   LYS  19          1HB       LYS  19   4.857   3.037  -4.147
  159   2HB   LYS  19          2HB       LYS  19   5.990   1.720  -4.312
  160   1HG   LYS  19          2HG       LYS  19   5.607   2.527  -6.538
  161   2HG   LYS  19          1HG       LYS  19   4.800   0.986  -6.412
  162   1HD   LYS  19          2HD       LYS  19   3.012   2.046  -7.319
  163   2HD   LYS  19          1HD       LYS  19   2.730   2.693  -5.721
  164   1HE   LYS  19          2HE       LYS  19   4.398   4.035  -7.904
  165   2HE   LYS  19          1HE       LYS  19   2.755   4.481  -7.479
  166   1HZ   LYS  19          1HZ       LYS  19   4.267   4.501  -5.145
  167   2HZ   LYS  19          2HZ       LYS  19   3.547   5.807  -5.966
  168   3HZ   LYS  19          3HZ       LYS  19   5.139   5.347  -6.333
  169    H    THR  20           H        THR  20   4.988   2.193  -1.766
  170    HA   THR  20           HA       THR  20   6.740   0.323  -0.721
  171    HB   THR  20           HB       THR  20   5.003   2.374   0.786
  172    HG1  THR  20           HG1      THR  20   6.187   3.399  -0.598
  173   1HG2  THR  20          1HG2      THR  20   7.739   1.160   1.520
  174   2HG2  THR  20          2HG2      THR  20   6.255   0.740   2.355
  175   3HG2  THR  20          3HG2      THR  20   6.871   2.378   2.443
  176    H    HIS  21           H        HIS  21   3.324   0.285  -0.557
  177    HA   HIS  21           HA       HIS  21   3.190  -1.755   1.539
  178   1HB   HIS  21          1HB       HIS  21   1.360  -0.190   1.488
  179   2HB   HIS  21          2HB       HIS  21   1.084  -0.416  -0.224
  180    HD1  HIS  21           HD1      HIS  21   0.746  -2.304   2.973
  181    HD2  HIS  21           HD2      HIS  21  -0.510  -2.626  -0.919
  182    HE1  HIS  21           HE1      HIS  21  -0.878  -4.168   2.895
  183    H    THR  22           H        THR  22   2.264  -1.683  -1.904
  184    HA   THR  22           HA       THR  22   1.531  -4.280  -2.342
  185    HB   THR  22           HB       THR  22   2.237  -3.700  -4.746
  186    HG1  THR  22           HG1      THR  22   3.568  -2.090  -4.865
  187   1HG2  THR  22          1HG2      THR  22   0.583  -1.623  -3.229
  188   2HG2  THR  22          2HG2      THR  22  -0.045  -3.135  -3.842
  189   3HG2  THR  22          3HG2      THR  22   0.526  -1.905  -4.962
  190    H    ARG  23           H        ARG  23   4.778  -2.974  -2.231
  191    HA   ARG  23           HA       ARG  23   6.006  -5.237  -3.411
  192   1HB   ARG  23          1HB       ARG  23   8.120  -4.340  -2.496
  193   2HB   ARG  23          2HB       ARG  23   7.133  -3.058  -3.170
  194   1HG   ARG  23          2HG       ARG  23   6.283  -2.538  -0.887
  195   2HG   ARG  23          1HG       ARG  23   7.372  -3.734  -0.212
  196   1HD   ARG  23          2HD       ARG  23   8.204  -1.220  -1.741
  197   2HD   ARG  23          1HD       ARG  23   8.434  -1.536  -0.025
  198    HE   ARG  23           HE       ARG  23   9.956  -3.425  -0.702
  199   1HH1  ARG  23          1HH1      ARG  23   9.068  -2.879  -3.665
  200   2HH1  ARG  23          2HH1      ARG  23  10.540  -2.206  -4.281
  201   1HH2  ARG  23          2HH2      ARG  23  11.891  -1.698  -1.091
  202   2HH2  ARG  23          1HH2      ARG  23  12.179  -1.521  -2.788
  203    H    THR  24           H        THR  24   4.147  -5.614  -0.933
  204    HA   THR  24           HA       THR  24   5.827  -7.476   0.677
  205    HB   THR  24           HB       THR  24   4.541  -5.544   1.924
  206    HG1  THR  24           HG1      THR  24   4.773  -8.203   2.346
  207   1HG2  THR  24          1HG2      THR  24   2.156  -7.438   1.401
  208   2HG2  THR  24          2HG2      THR  24   2.282  -5.893   0.600
  209   3HG2  THR  24          3HG2      THR  24   2.141  -5.965   2.348
  210    H    HIS  25           H        HIS  25   3.552  -7.231  -1.725
  211    HA   HIS  25           HA       HIS  25   2.367  -9.936  -1.387
  212   1HB   HIS  25          1HB       HIS  25   1.569  -7.605  -3.175
  213   2HB   HIS  25          2HB       HIS  25   0.759  -9.158  -3.118
  214    HD1  HIS  25           HD1      HIS  25   0.498  -9.412  -0.035
  215    HD2  HIS  25           HD2      HIS  25  -0.318  -5.981  -2.105
  216    HE1  HIS  25           HE1      HIS  25  -1.074  -8.109   1.372
  217    H    THR  26           H        THR  26   3.989  -7.655  -3.459
  218    HA   THR  26           HA       THR  26   4.532  -9.503  -5.643
  219    HB   THR  26           HB       THR  26   5.862  -6.780  -5.000
  220    HG1  THR  26           HG1      THR  26   4.030  -6.740  -6.928
  221   1HG2  THR  26          1HG2      THR  26   5.400  -8.224  -7.673
  222   2HG2  THR  26          2HG2      THR  26   6.953  -8.214  -6.847
  223   3HG2  THR  26          3HG2      THR  26   6.263  -6.709  -7.436
  224    H    GLY  27           H        GLY  27   6.079  -8.142  -2.889
  225   1HA   GLY  27          1HA       GLY  27   8.426  -9.985  -3.101
  226   2HA   GLY  27          2HA       GLY  27   8.393  -8.488  -2.141
  227    H    GLU  28           H        GLU  28   6.458 -11.346  -2.622
  228    HA   GLU  28           HA       GLU  28   6.115 -11.764   0.325
  229   1HB   GLU  28          1HB       GLU  28   4.131 -10.978  -1.119
  230   2HB   GLU  28          2HB       GLU  28   4.169 -12.563  -1.848
  231   1HG   GLU  28          2HG       GLU  28   3.722 -13.629   0.326
  232   2HG   GLU  28          1HG       GLU  28   3.785 -12.072   1.136
  233    H    LYS  29           H        LYS  29   5.522 -14.072   0.793
  234    HA   LYS  29           HA       LYS  29   6.861 -16.015  -1.035
  235   1HB   LYS  29          1HB       LYS  29   8.413 -15.252   0.801
  236   2HB   LYS  29          2HB       LYS  29   7.252 -15.829   1.982
  237   1HG   LYS  29          2HG       LYS  29   7.524 -18.129   1.269
  238   2HG   LYS  29          1HG       LYS  29   8.395 -17.651  -0.176
  239   1HD   LYS  29          2HD       LYS  29   9.945 -18.542   1.537
  240   2HD   LYS  29          1HD       LYS  29  10.290 -16.861   1.194
  241   1HE   LYS  29          2HE       LYS  29   9.080 -16.172   3.249
  242   2HE   LYS  29          1HE       LYS  29   8.654 -17.845   3.582
  243   1HZ   LYS  29          1HZ       LYS  29  11.420 -17.678   3.179
  244   2HZ   LYS  29          2HZ       LYS  29  10.576 -18.096   4.592
  245   3HZ   LYS  29          3HZ       LYS  29  10.960 -16.472   4.286
  Start of MODEL   31
    1   1H    LYS   1          1H        LYS   1  -7.980  11.268  -1.111
    2   2H    LYS   1          2H        LYS   1  -9.074  12.082  -2.115
    3   3H    LYS   1          3H        LYS   1  -7.610  12.829  -1.666
    4    HA   LYS   1           HA       LYS   1  -8.140  11.198  -3.889
    5   1HB   LYS   1          2HB       LYS   1  -6.669  13.294  -3.663
    6   2HB   LYS   1          1HB       LYS   1  -5.473  12.300  -2.857
    7   1HG   LYS   1          2HG       LYS   1  -5.427  10.812  -4.939
    8   2HG   LYS   1          1HG       LYS   1  -6.513  11.960  -5.701
    9   1HD   LYS   1          2HD       LYS   1  -4.830  13.782  -5.344
   10   2HD   LYS   1          1HD       LYS   1  -3.741  12.615  -4.617
   11   1HE   LYS   1          2HE       LYS   1  -3.133  12.957  -6.980
   12   2HE   LYS   1          1HE       LYS   1  -3.716  11.315  -6.757
   13   1HZ   LYS   1          1HZ       LYS   1  -5.903  12.960  -7.338
   14   2HZ   LYS   1          2HZ       LYS   1  -5.251  11.691  -8.259
   15   3HZ   LYS   1          3HZ       LYS   1  -4.684  13.275  -8.477
   16    HA   PRO   2           HA       PRO   2  -6.542   7.885  -1.007
   17   1HB   PRO   2          1HB       PRO   2  -8.594   6.185  -0.948
   18   2HB   PRO   2          2HB       PRO   2  -8.741   7.750  -0.132
   19   1HG   PRO   2          2HG       PRO   2  -9.654   7.056  -2.985
   20   2HG   PRO   2          1HG       PRO   2 -10.640   7.720  -1.681
   21   1HD   PRO   2          1HD       PRO   2  -9.440   9.373  -3.527
   22   2HD   PRO   2          2HD       PRO   2  -9.586   9.878  -1.827
   23    H    PHE   3           H        PHE   3  -5.960   5.780  -1.345
   24    HA   PHE   3           HA       PHE   3  -5.799   4.834  -4.183
   25   1HB   PHE   3          1HB       PHE   3  -3.697   5.048  -1.999
   26   2HB   PHE   3          2HB       PHE   3  -3.445   3.996  -3.377
   27    HD1  PHE   3           HD1      PHE   3  -3.009   4.951  -5.590
   28    HD2  PHE   3           HD2      PHE   3  -3.904   7.512  -2.302
   29    HE1  PHE   3           HE1      PHE   3  -2.314   6.890  -6.909
   30    HE2  PHE   3           HE2      PHE   3  -3.202   9.456  -3.628
   31    HZ   PHE   3           HZ       PHE   3  -2.404   9.147  -5.935
   32    H    GLN   4           H        GLN   4  -5.704   2.515  -4.361
   33    HA   GLN   4           HA       GLN   4  -6.467   1.002  -1.907
   34   1HB   GLN   4          1HB       GLN   4  -8.555   1.599  -3.095
   35   2HB   GLN   4          2HB       GLN   4  -7.912   0.988  -4.600
   36   1HG   GLN   4          2HG       GLN   4  -9.425  -0.692  -3.750
   37   2HG   GLN   4          1HG       GLN   4  -7.816  -1.335  -3.509
   38   1HE2  GLN   4          2HE2      GLN   4 -10.732  -1.032  -1.986
   39   2HE2  GLN   4          1HE2      GLN   4 -10.220  -1.062  -0.368
   40    H    CYS   5           H        CYS   5  -5.752  -1.127  -1.861
   41    HA   CYS   5           HA       CYS   5  -3.693  -1.822  -3.895
   42   1HB   CYS   5          1HB       CYS   5  -3.050  -1.977  -1.556
   43   2HB   CYS   5          2HB       CYS   5  -4.451  -2.968  -1.168
   44    H    LYS   6           H        LYS   6  -3.986  -3.547  -5.243
   45    HA   LYS   6           HA       LYS   6  -6.733  -4.749  -5.304
   46   1HB   LYS   6          1HB       LYS   6  -4.629  -4.672  -7.505
   47   2HB   LYS   6          2HB       LYS   6  -6.301  -5.147  -7.689
   48   1HG   LYS   6          2HG       LYS   6  -5.294  -2.358  -6.983
   49   2HG   LYS   6          1HG       LYS   6  -5.930  -2.848  -8.535
   50   1HD   LYS   6          2HD       LYS   6  -8.136  -3.383  -7.402
   51   2HD   LYS   6          1HD       LYS   6  -7.485  -2.724  -5.912
   52   1HE   LYS   6          2HE       LYS   6  -7.779  -1.186  -8.523
   53   2HE   LYS   6          1HE       LYS   6  -8.811  -1.014  -7.112
   54   1HZ   LYS   6          1HZ       LYS   6  -6.162  -0.711  -6.278
   55   2HZ   LYS   6          2HZ       LYS   6  -7.407   0.444  -6.310
   56   3HZ   LYS   6          3HZ       LYS   6  -6.394   0.257  -7.657
   57    H    THR   7           H        THR   7  -4.801  -5.561  -3.481
   58    HA   THR   7           HA       THR   7  -4.369  -8.386  -4.324
   59    HB   THR   7           HB       THR   7  -2.378  -6.765  -2.628
   60    HG1  THR   7           HG1      THR   7  -1.594  -7.543  -5.093
   61   1HG2  THR   7          1HG2      THR   7  -2.170  -9.409  -4.204
   62   2HG2  THR   7          2HG2      THR   7  -2.311  -9.341  -2.456
   63   3HG2  THR   7          3HG2      THR   7  -0.885  -8.698  -3.251
   64    H    CYS   8           H        CYS   8  -4.648  -6.083  -1.615
   65    HA   CYS   8           HA       CYS   8  -5.866  -8.301  -0.010
   66   1HB   CYS   8          1HB       CYS   8  -5.010  -7.185   1.997
   67   2HB   CYS   8          2HB       CYS   8  -3.680  -7.527   0.889
   68    H    GLN   9           H        GLN   9  -5.921  -5.029  -0.945
   69    HA   GLN   9           HA       GLN   9  -7.697  -3.576  -1.386
   70   1HB   GLN   9          1HB       GLN   9  -9.471  -5.574   0.199
   71   2HB   GLN   9          2HB       GLN   9 -10.002  -4.037  -0.399
   72   1HG   GLN   9          2HG       GLN   9 -10.562  -5.829  -2.005
   73   2HG   GLN   9          1HG       GLN   9  -9.536  -4.599  -2.705
   74   1HE2  GLN   9          2HE2      GLN   9  -7.618  -5.285  -3.647
   75   2HE2  GLN   9          1HE2      GLN   9  -7.006  -6.864  -3.578
   76    H    ARG  10           H        ARG  10  -5.857  -2.977   0.072
   77    HA   ARG  10           HA       ARG  10  -6.870  -1.771   2.619
   78   1HB   ARG  10          1HB       ARG  10  -4.901  -3.376   2.794
   79   2HB   ARG  10          2HB       ARG  10  -3.990  -2.313   1.725
   80   1HG   ARG  10          2HG       ARG  10  -4.115  -0.495   3.348
   81   2HG   ARG  10          1HG       ARG  10  -5.207  -1.420   4.370
   82   1HD   ARG  10          2HD       ARG  10  -3.415  -3.156   4.677
   83   2HD   ARG  10          1HD       ARG  10  -2.317  -2.185   3.721
   84    HE   ARG  10           HE       ARG  10  -2.016  -1.722   6.156
   85   1HH1  ARG  10          2HH2      ARG  10  -2.259   0.868   4.807
   86   2HH1  ARG  10          1HH2      ARG  10  -3.455   1.691   5.751
   87   1HH2  ARG  10          1HH1      ARG  10  -4.592  -1.268   7.246
   88   2HH2  ARG  10          2HH1      ARG  10  -4.803   0.449   7.180
   89    H    LYS  11           H        LYS  11  -6.803   0.454   2.674
   90    HA   LYS  11           HA       LYS  11  -6.069   1.709   0.086
   91   1HB   LYS  11          1HB       LYS  11  -7.520   3.600   0.794
   92   2HB   LYS  11          2HB       LYS  11  -8.393   2.086   0.841
   93   1HG   LYS  11          2HG       LYS  11  -8.238   1.914   3.231
   94   2HG   LYS  11          1HG       LYS  11  -7.038   3.174   3.353
   95   1HD   LYS  11          2HD       LYS  11  -9.939   3.574   2.485
   96   2HD   LYS  11          1HD       LYS  11  -9.296   3.953   4.068
   97   1HE   LYS  11          2HE       LYS  11  -8.520   5.315   1.437
   98   2HE   LYS  11          1HE       LYS  11  -9.397   6.017   2.779
   99   1HZ   LYS  11          1HZ       LYS  11  -7.019   4.995   3.796
  100   2HZ   LYS  11          2HZ       LYS  11  -7.506   6.615   3.667
  101   3HZ   LYS  11          3HZ       LYS  11  -6.641   5.889   2.403
  102    H    PHE  12           H        PHE  12  -5.275   3.895   0.150
  103    HA   PHE  12           HA       PHE  12  -3.519   4.582   2.446
  104   1HB   PHE  12          1HB       PHE  12  -2.596   4.258  -0.469
  105   2HB   PHE  12          2HB       PHE  12  -1.590   4.861   0.831
  106    HD1  PHE  12           HD1      PHE  12  -1.073   3.376   2.794
  107    HD2  PHE  12           HD2      PHE  12  -3.127   1.852  -0.626
  108    HE1  PHE  12           HE1      PHE  12  -0.650   1.079   3.542
  109    HE2  PHE  12           HE2      PHE  12  -2.701  -0.421   0.121
  110    HZ   PHE  12           HZ       PHE  12  -1.467  -0.818   2.214
  111    H    SER  13           H        SER  13  -2.342   6.697   1.711
  112    HA   SER  13           HA       SER  13  -4.480   8.630   0.937
  113   1HB   SER  13          2HB       SER  13  -3.084  10.284   2.216
  114   2HB   SER  13          1HB       SER  13  -3.495   8.908   3.220
  115    HG   SER  13           HG       SER  13  -1.071   9.710   2.353
  116    H    ARG  14           H        ARG  14  -1.135   7.711   0.427
  117    HA   ARG  14           HA       ARG  14  -0.991   9.482  -1.981
  118   1HB   ARG  14          1HB       ARG  14   1.234   8.256  -0.313
  119   2HB   ARG  14          2HB       ARG  14   1.489   9.198  -1.776
  120   1HG   ARG  14          2HG       ARG  14   0.319  11.134  -0.666
  121   2HG   ARG  14          1HG       ARG  14   0.290  10.190   0.818
  122   1HD   ARG  14          2HD       ARG  14   2.716  10.068   0.894
  123   2HD   ARG  14          1HD       ARG  14   2.887  10.700  -0.710
  124    HE   ARG  14           HE       ARG  14   1.950  12.870   0.240
  125   1HH1  ARG  14          1HH1      ARG  14   1.505  11.166   2.862
  126   2HH1  ARG  14          2HH1      ARG  14   2.696  11.907   3.880
  127   1HH2  ARG  14          2HH2      ARG  14   4.280  13.525   1.211
  128   2HH2  ARG  14          1HH2      ARG  14   4.305  13.264   2.924
  129    H    SER  15           H        SER  15   0.809   8.549  -3.460
  130    HA   SER  15           HA       SER  15  -0.146   5.922  -4.457
  131   1HB   SER  15          2HB       SER  15   1.052   6.660  -6.566
  132   2HB   SER  15          1HB       SER  15  -0.203   7.777  -6.071
  133    HG   SER  15           HG       SER  15   2.026   8.389  -4.735
  134    H    ASP  16           H        ASP  16   2.689   7.573  -3.231
  135    HA   ASP  16           HA       ASP  16   4.473   5.295  -3.845
  136   1HB   ASP  16          1HB       ASP  16   6.248   6.715  -2.896
  137   2HB   ASP  16          2HB       ASP  16   5.286   7.686  -4.006
  138    H    HIS  17           H        HIS  17   2.118   5.376  -2.028
  139    HA   HIS  17           HA       HIS  17   3.249   4.201   0.453
  140   1HB   HIS  17          1HB       HIS  17   0.608   5.699  -0.006
  141   2HB   HIS  17          2HB       HIS  17   0.941   4.771   1.438
  142    HD1  HIS  17           HD1      HIS  17   0.562   7.300   2.437
  143    HD2  HIS  17           HD2      HIS  17   4.134   6.724   0.544
  144    HE1  HIS  17           HE1      HIS  17   2.053   9.084   3.197
  145    H    LEU  18           H        LEU  18   1.284   4.068  -2.331
  146    HA   LEU  18           HA       LEU  18  -0.026   1.521  -1.636
  147   1HB   LEU  18          1HB       LEU  18  -1.377   3.259  -2.744
  148   2HB   LEU  18          2HB       LEU  18  -0.239   3.323  -4.087
  149    HG   LEU  18           HG       LEU  18  -0.756   0.766  -4.378
  150   1HD1  LEU  18          1HD1      LEU  18  -3.114   1.506  -2.666
  151   2HD1  LEU  18          2HD1      LEU  18  -1.811   0.415  -2.198
  152   3HD1  LEU  18          3HD1      LEU  18  -2.861   0.000  -3.528
  153   1HD2  LEU  18          1HD2      LEU  18  -1.576   2.527  -5.946
  154   2HD2  LEU  18          2HD2      LEU  18  -2.969   2.792  -4.914
  155   3HD2  LEU  18          3HD2      LEU  18  -2.766   1.256  -5.729
  156    H    LYS  19           H        LYS  19   2.052   2.772  -4.324
  157    HA   LYS  19           HA       LYS  19   2.529   0.089  -5.334
  158   1HB   LYS  19          1HB       LYS  19   4.009   1.154  -6.922
  159   2HB   LYS  19          2HB       LYS  19   2.622   2.189  -6.714
  160   1HG   LYS  19          2HG       LYS  19   4.288   3.791  -6.594
  161   2HG   LYS  19          1HG       LYS  19   4.169   3.389  -4.892
  162   1HD   LYS  19          2HD       LYS  19   6.127   1.909  -5.026
  163   2HD   LYS  19          1HD       LYS  19   6.170   2.068  -6.771
  164   1HE   LYS  19          2HE       LYS  19   6.676   4.503  -6.491
  165   2HE   LYS  19          1HE       LYS  19   6.612   4.304  -4.744
  166   1HZ   LYS  19          1HZ       LYS  19   8.312   2.351  -5.789
  167   2HZ   LYS  19          2HZ       LYS  19   8.698   3.660  -4.778
  168   3HZ   LYS  19          3HZ       LYS  19   8.754   3.845  -6.465
  169    H    THR  20           H        THR  20   3.499   1.521  -2.624
  170    HA   THR  20           HA       THR  20   6.176   0.237  -2.425
  171    HB   THR  20           HB       THR  20   4.810   2.365  -0.653
  172    HG1  THR  20           HG1      THR  20   6.069   2.411  -3.028
  173   1HG2  THR  20          1HG2      THR  20   7.736   1.434  -0.836
  174   2HG2  THR  20          2HG2      THR  20   6.671   0.964   0.477
  175   3HG2  THR  20          3HG2      THR  20   7.108   2.651   0.264
  176    H    HIS  21           H        HIS  21   2.932   0.489  -1.137
  177    HA   HIS  21           HA       HIS  21   3.296  -1.364   1.046
  178   1HB   HIS  21          1HB       HIS  21   1.370   0.005   1.317
  179   2HB   HIS  21          2HB       HIS  21   0.863  -0.175  -0.350
  180    HD1  HIS  21           HD1      HIS  21   0.877  -2.139   2.852
  181    HD2  HIS  21           HD2      HIS  21  -0.616  -2.428  -0.944
  182    HE1  HIS  21           HE1      HIS  21  -0.674  -4.076   2.858
  183    H    THR  22           H        THR  22   1.769  -1.735  -2.204
  184    HA   THR  22           HA       THR  22   0.957  -4.259  -2.295
  185    HB   THR  22           HB       THR  22   1.891  -4.126  -4.746
  186    HG1  THR  22           HG1      THR  22   2.348  -1.506  -3.901
  187   1HG2  THR  22          1HG2      THR  22   0.191  -1.789  -3.729
  188   2HG2  THR  22          2HG2      THR  22  -0.452  -3.357  -4.180
  189   3HG2  THR  22          3HG2      THR  22   0.303  -2.337  -5.394
  190    H    ARG  23           H        ARG  23   4.204  -3.160  -2.698
  191    HA   ARG  23           HA       ARG  23   5.604  -5.345  -3.402
  192   1HB   ARG  23          1HB       ARG  23   6.503  -3.371  -1.269
  193   2HB   ARG  23          2HB       ARG  23   7.570  -4.352  -2.247
  194   1HG   ARG  23          2HG       ARG  23   5.718  -2.163  -3.285
  195   2HG   ARG  23          1HG       ARG  23   7.461  -2.068  -3.166
  196   1HD   ARG  23          2HD       ARG  23   7.644  -3.982  -4.800
  197   2HD   ARG  23          1HD       ARG  23   5.894  -3.944  -4.986
  198    HE   ARG  23           HE       ARG  23   7.695  -1.653  -5.683
  199   1HH1  ARG  23          2HH2      ARG  23   5.416  -3.937  -6.795
  200   2HH1  ARG  23          1HH2      ARG  23   4.639  -2.832  -7.878
  201   1HH2  ARG  23          1HH1      ARG  23   6.478  -0.083  -6.772
  202   2HH2  ARG  23          2HH1      ARG  23   5.254  -0.622  -7.874
  203    H    THR  24           H        THR  24   4.080  -5.095  -0.343
  204    HA   THR  24           HA       THR  24   5.724  -6.945   1.119
  205    HB   THR  24           HB       THR  24   4.252  -5.177   2.233
  206    HG1  THR  24           HG1      THR  24   3.163  -7.262   3.400
  207   1HG2  THR  24          1HG2      THR  24   1.988  -7.159   1.555
  208   2HG2  THR  24          2HG2      THR  24   2.147  -5.619   0.743
  209   3HG2  THR  24          3HG2      THR  24   1.824  -5.668   2.465
  210    H    HIS  25           H        HIS  25   3.167  -7.294  -1.146
  211    HA   HIS  25           HA       HIS  25   2.712 -10.134  -0.423
  212   1HB   HIS  25          1HB       HIS  25   1.373  -8.589  -2.708
  213   2HB   HIS  25          2HB       HIS  25   0.785 -10.029  -1.915
  214    HD1  HIS  25           HD1      HIS  25   0.161  -9.356   0.793
  215    HD2  HIS  25           HD2      HIS  25  -0.090  -6.413  -2.038
  216    HE1  HIS  25           HE1      HIS  25  -1.341  -7.622   1.712
  217    H    THR  26           H        THR  26   5.156  -8.888  -1.548
  218    HA   THR  26           HA       THR  26   5.412 -10.658  -3.886
  219    HB   THR  26           HB       THR  26   6.384  -7.728  -3.853
  220    HG1  THR  26           HG1      THR  26   4.564  -8.292  -5.698
  221   1HG2  THR  26          1HG2      THR  26   6.134  -9.740  -6.167
  222   2HG2  THR  26          2HG2      THR  26   7.674  -9.313  -5.428
  223   3HG2  THR  26          3HG2      THR  26   6.741  -8.095  -6.282
  224    H    GLY  27           H        GLY  27   7.277  -8.536  -1.897
  225   1HA   GLY  27          1HA       GLY  27   9.468 -10.599  -1.851
  226   2HA   GLY  27          2HA       GLY  27   9.791  -8.875  -1.887
  227    H    GLU  28           H        GLU  28   7.204 -10.067   0.061
  228    HA   GLU  28           HA       GLU  28   8.956  -9.859   2.503
  229   1HB   GLU  28          1HB       GLU  28   7.553  -7.746   2.087
  230   2HB   GLU  28          2HB       GLU  28   6.128  -8.718   2.396
  231   1HG   GLU  28          2HG       GLU  28   7.234  -9.384   4.637
  232   2HG   GLU  28          1HG       GLU  28   8.406  -8.128   4.308
  233    H    LYS  29           H        LYS  29   5.584 -10.459   1.905
  234    HA   LYS  29           HA       LYS  29   5.808 -13.207   3.047
  235   1HB   LYS  29          1HB       LYS  29   3.554 -11.188   3.495
  236   2HB   LYS  29          2HB       LYS  29   3.590 -12.815   4.136
  237   1HG   LYS  29          2HG       LYS  29   5.605 -10.630   4.821
  238   2HG   LYS  29          1HG       LYS  29   4.250 -11.084   5.821
  239   1HD   LYS  29          2HD       LYS  29   5.205 -13.438   5.974
  240   2HD   LYS  29          1HD       LYS  29   6.592 -12.899   5.051
  241   1HE   LYS  29          2HE       LYS  29   7.080 -12.883   7.479
  242   2HE   LYS  29          1HE       LYS  29   7.178 -11.263   6.815
  243   1HZ   LYS  29          1HZ       LYS  29   4.536 -11.747   7.622
  244   2HZ   LYS  29          2HZ       LYS  29   5.649 -10.620   8.238
  245   3HZ   LYS  29          3HZ       LYS  29   5.579 -12.183   8.891
  Start of MODEL   32
    1   1H    LYS   1          1H        LYS   1  -5.646  12.112  -1.258
    2   2H    LYS   1          2H        LYS   1  -7.027  12.981  -1.728
    3   3H    LYS   1          3H        LYS   1  -5.597  13.096  -2.640
    4    HA   LYS   1           HA       LYS   1  -7.717  11.303  -2.936
    5   1HB   LYS   1          2HB       LYS   1  -5.009  11.482  -4.306
    6   2HB   LYS   1          1HB       LYS   1  -6.360  10.556  -4.923
    7   1HG   LYS   1          2HG       LYS   1  -7.707  12.728  -4.971
    8   2HG   LYS   1          1HG       LYS   1  -6.226  13.577  -4.568
    9   1HD   LYS   1          2HD       LYS   1  -6.626  11.816  -7.026
   10   2HD   LYS   1          1HD       LYS   1  -6.669  13.566  -7.023
   11   1HE   LYS   1          2HE       LYS   1  -4.290  13.622  -6.241
   12   2HE   LYS   1          1HE       LYS   1  -4.246  11.863  -6.287
   13   1HZ   LYS   1          1HZ       LYS   1  -5.229  12.758  -8.733
   14   2HZ   LYS   1          2HZ       LYS   1  -3.770  11.955  -8.405
   15   3HZ   LYS   1          3HZ       LYS   1  -3.831  13.652  -8.372
   16    HA   PRO   2           HA       PRO   2  -5.746   7.917  -0.460
   17   1HB   PRO   2          1HB       PRO   2  -8.659   7.154  -0.709
   18   2HB   PRO   2          2HB       PRO   2  -7.555   6.946   0.657
   19   1HG   PRO   2          2HG       PRO   2  -9.284   8.972   0.771
   20   2HG   PRO   2          1HG       PRO   2  -7.597   9.325   1.184
   21   1HD   PRO   2          1HD       PRO   2  -8.996   9.769  -1.516
   22   2HD   PRO   2          2HD       PRO   2  -8.013  10.926  -0.586
   23    H    PHE   3           H        PHE   3  -5.408   5.847  -1.064
   24    HA   PHE   3           HA       PHE   3  -6.057   5.032  -3.873
   25   1HB   PHE   3          1HB       PHE   3  -3.396   5.058  -2.402
   26   2HB   PHE   3          2HB       PHE   3  -3.659   3.994  -3.772
   27    HD1  PHE   3           HD1      PHE   3  -3.852   4.919  -6.032
   28    HD2  PHE   3           HD2      PHE   3  -3.442   7.522  -2.684
   29    HE1  PHE   3           HE1      PHE   3  -3.393   6.792  -7.546
   30    HE2  PHE   3           HE2      PHE   3  -2.994   9.399  -4.208
   31    HZ   PHE   3           HZ       PHE   3  -2.973   9.036  -6.637
   32    H    GLN   4           H        GLN   4  -5.824   2.668  -4.188
   33    HA   GLN   4           HA       GLN   4  -6.126   1.106  -1.666
   34   1HB   GLN   4          1HB       GLN   4  -8.400   1.685  -2.544
   35   2HB   GLN   4          2HB       GLN   4  -7.994   0.910  -4.067
   36   1HG   GLN   4          2HG       GLN   4  -7.710  -1.276  -2.886
   37   2HG   GLN   4          1HG       GLN   4  -8.025  -0.489  -1.344
   38   1HE2  GLN   4          2HE2      GLN   4 -10.077  -0.934  -0.665
   39   2HE2  GLN   4          1HE2      GLN   4 -11.438  -1.081  -1.666
   40    H    CYS   5           H        CYS   5  -5.675  -1.055  -1.823
   41    HA   CYS   5           HA       CYS   5  -3.789  -1.853  -3.996
   42   1HB   CYS   5          1HB       CYS   5  -2.938  -2.020  -1.754
   43   2HB   CYS   5          2HB       CYS   5  -4.340  -2.950  -1.234
   44    H    LYS   6           H        LYS   6  -4.586  -3.212  -5.534
   45    HA   LYS   6           HA       LYS   6  -7.185  -4.583  -5.016
   46   1HB   LYS   6          1HB       LYS   6  -5.627  -4.066  -7.586
   47   2HB   LYS   6          2HB       LYS   6  -7.137  -4.947  -7.535
   48   1HG   LYS   6          2HG       LYS   6  -6.748  -2.037  -6.727
   49   2HG   LYS   6          1HG       LYS   6  -7.521  -2.614  -8.189
   50   1HD   LYS   6          2HD       LYS   6  -9.201  -3.860  -6.644
   51   2HD   LYS   6          1HD       LYS   6  -8.529  -2.915  -5.326
   52   1HE   LYS   6          2HE       LYS   6 -10.497  -1.748  -6.173
   53   2HE   LYS   6          1HE       LYS   6  -9.074  -0.810  -6.600
   54   1HZ   LYS   6          1HZ       LYS   6  -9.555  -2.676  -8.629
   55   2HZ   LYS   6          2HZ       LYS   6  -9.629  -0.981  -8.709
   56   3HZ   LYS   6          3HZ       LYS   6 -11.011  -1.874  -8.289
   57    H    THR   7           H        THR   7  -4.969  -5.465  -3.698
   58    HA   THR   7           HA       THR   7  -4.522  -8.174  -4.852
   59    HB   THR   7           HB       THR   7  -2.546  -6.626  -3.053
   60    HG1  THR   7           HG1      THR   7  -2.104  -5.681  -4.875
   61   1HG2  THR   7          1HG2      THR   7  -2.197  -9.062  -4.902
   62   2HG2  THR   7          2HG2      THR   7  -2.342  -9.200  -3.158
   63   3HG2  THR   7          3HG2      THR   7  -0.967  -8.365  -3.867
   64    H    CYS   8           H        CYS   8  -4.881  -6.078  -2.005
   65    HA   CYS   8           HA       CYS   8  -5.955  -8.435  -0.482
   66   1HB   CYS   8          1HB       CYS   8  -5.068  -7.449   1.548
   67   2HB   CYS   8          2HB       CYS   8  -3.765  -7.651   0.373
   68    H    GLN   9           H        GLN   9  -6.112  -5.076  -1.107
   69    HA   GLN   9           HA       GLN   9  -7.967  -3.644  -1.406
   70   1HB   GLN   9          1HB       GLN   9  -9.610  -5.755   0.143
   71   2HB   GLN   9          2HB       GLN   9 -10.203  -4.202  -0.353
   72   1HG   GLN   9          2HG       GLN   9 -10.835  -5.779  -2.077
   73   2HG   GLN   9          1HG       GLN   9  -9.651  -4.668  -2.730
   74   1HE2  GLN   9          2HE2      GLN   9  -7.658  -5.531  -3.461
   75   2HE2  GLN   9          1HE2      GLN   9  -7.316  -7.195  -3.469
   76    H    ARG  10           H        ARG  10  -6.072  -3.027   0.036
   77    HA   ARG  10           HA       ARG  10  -7.128  -1.918   2.620
   78   1HB   ARG  10          1HB       ARG  10  -5.114  -3.522   2.790
   79   2HB   ARG  10          2HB       ARG  10  -4.212  -2.380   1.803
   80   1HG   ARG  10          2HG       ARG  10  -4.592  -0.598   3.504
   81   2HG   ARG  10          1HG       ARG  10  -5.520  -1.725   4.477
   82   1HD   ARG  10          2HD       ARG  10  -3.481  -3.142   4.737
   83   2HD   ARG  10          1HD       ARG  10  -2.569  -1.992   3.768
   84    HE   ARG  10           HE       ARG  10  -3.892  -1.262   6.359
   85   1HH1  ARG  10          1HH1      ARG  10  -2.836   0.939   4.511
   86   2HH1  ARG  10          2HH1      ARG  10  -1.279   1.198   5.205
   87   1HH2  ARG  10          2HH2      ARG  10  -1.269  -1.768   7.027
   88   2HH2  ARG  10          1HH2      ARG  10  -0.371  -0.337   6.638
   89    H    LYS  11           H        LYS  11  -6.311   0.357   2.966
   90    HA   LYS  11           HA       LYS  11  -5.872   1.674   0.327
   91   1HB   LYS  11          1HB       LYS  11  -7.488   2.563   2.747
   92   2HB   LYS  11          2HB       LYS  11  -6.988   3.713   1.519
   93   1HG   LYS  11          2HG       LYS  11  -8.145   2.423  -0.224
   94   2HG   LYS  11          1HG       LYS  11  -8.614   1.206   0.951
   95   1HD   LYS  11          2HD       LYS  11  -9.967   2.821   2.185
   96   2HD   LYS  11          1HD       LYS  11  -9.364   4.155   1.220
   97   1HE   LYS  11          2HE       LYS  11 -10.951   1.818   0.081
   98   2HE   LYS  11          1HE       LYS  11 -11.644   3.381   0.497
   99   1HZ   LYS  11          1HZ       LYS  11  -9.392   3.843  -1.077
  100   2HZ   LYS  11          2HZ       LYS  11 -11.018   4.134  -1.457
  101   3HZ   LYS  11          3HZ       LYS  11 -10.309   2.639  -1.847
  102    H    PHE  12           H        PHE  12  -4.927   3.734   0.362
  103    HA   PHE  12           HA       PHE  12  -2.912   4.314   2.463
  104   1HB   PHE  12          1HB       PHE  12  -2.293   4.066  -0.550
  105   2HB   PHE  12          2HB       PHE  12  -1.126   4.421   0.706
  106    HD1  PHE  12           HD1      PHE  12  -0.656   2.745   2.488
  107    HD2  PHE  12           HD2      PHE  12  -3.219   1.815  -0.777
  108    HE1  PHE  12           HE1      PHE  12  -0.602   0.356   3.112
  109    HE2  PHE  12           HE2      PHE  12  -3.155  -0.568  -0.156
  110    HZ   PHE  12           HZ       PHE  12  -1.880  -1.278   1.785
  111    H    SER  13           H        SER  13  -1.745   6.440   1.497
  112    HA   SER  13           HA       SER  13  -3.977   8.364   0.999
  113   1HB   SER  13          2HB       SER  13  -2.312  10.049   1.981
  114   2HB   SER  13          1HB       SER  13  -2.827   8.802   3.101
  115    HG   SER  13           HG       SER  13  -0.371   9.260   2.133
  116    H    ARG  14           H        ARG  14  -0.820   7.338  -0.132
  117    HA   ARG  14           HA       ARG  14  -1.130   9.146  -2.517
  118   1HB   ARG  14          1HB       ARG  14   1.509   8.090  -1.434
  119   2HB   ARG  14          2HB       ARG  14   1.242   9.306  -2.681
  120   1HG   ARG  14          2HG       ARG  14   0.323  10.863  -1.061
  121   2HG   ARG  14          1HG       ARG  14   0.462   9.681   0.226
  122   1HD   ARG  14          2HD       ARG  14   2.511  10.842   0.517
  123   2HD   ARG  14          1HD       ARG  14   2.973   9.554  -0.557
  124    HE   ARG  14           HE       ARG  14   2.229  12.179  -1.730
  125   1HH1  ARG  14          2HH2      ARG  14   4.860  10.549  -0.485
  126   2HH1  ARG  14          1HH2      ARG  14   5.843  10.656  -1.905
  127   1HH2  ARG  14          1HH1      ARG  14   3.224  11.927  -3.859
  128   2HH2  ARG  14          2HH1      ARG  14   4.890  11.449  -3.871
  129    H    SER  15           H        SER  15   0.128   8.330  -4.405
  130    HA   SER  15           HA       SER  15  -0.763   5.615  -5.064
  131   1HB   SER  15          2HB       SER  15  -0.008   6.228  -7.373
  132   2HB   SER  15          1HB       SER  15  -0.913   7.547  -6.678
  133    HG   SER  15           HG       SER  15   1.564   7.861  -5.831
  134    H    ASP  16           H        ASP  16   2.105   7.293  -4.250
  135    HA   ASP  16           HA       ASP  16   3.968   5.127  -4.932
  136   1HB   ASP  16          1HB       ASP  16   5.637   6.659  -3.720
  137   2HB   ASP  16          2HB       ASP  16   4.845   7.401  -5.102
  138    H    HIS  17           H        HIS  17   2.111   6.306  -2.178
  139    HA   HIS  17           HA       HIS  17   3.568   4.750  -0.192
  140   1HB   HIS  17          1HB       HIS  17   0.687   5.875  -0.201
  141   2HB   HIS  17          2HB       HIS  17   1.355   4.969   1.135
  142    HD1  HIS  17           HD1      HIS  17   0.762   7.747   1.905
  143    HD2  HIS  17           HD2      HIS  17   4.366   6.904   0.197
  144    HE1  HIS  17           HE1      HIS  17   2.278   9.536   2.565
  145    H    LEU  18           H        LEU  18   0.533   4.342  -2.039
  146    HA   LEU  18           HA       LEU  18  -0.195   1.763  -1.426
  147   1HB   LEU  18          1HB       LEU  18  -1.424   3.170  -3.020
  148   2HB   LEU  18          2HB       LEU  18  -0.094   3.101  -4.174
  149    HG   LEU  18           HG       LEU  18  -0.471   0.569  -4.272
  150   1HD1  LEU  18          1HD1      LEU  18  -3.001   1.264  -2.777
  151   2HD1  LEU  18          2HD1      LEU  18  -1.658   0.304  -2.151
  152   3HD1  LEU  18          3HD1      LEU  18  -2.601  -0.284  -3.499
  153   1HD2  LEU  18          1HD2      LEU  18  -1.324   2.132  -6.021
  154   2HD2  LEU  18          2HD2      LEU  18  -2.793   2.379  -5.087
  155   3HD2  LEU  18          3HD2      LEU  18  -2.435   0.801  -5.772
  156    H    LYS  19           H        LYS  19   2.279   2.713  -3.827
  157    HA   LYS  19           HA       LYS  19   3.117   0.108  -4.587
  158   1HB   LYS  19          1HB       LYS  19   3.799   2.138  -5.788
  159   2HB   LYS  19          2HB       LYS  19   4.642   2.767  -4.415
  160   1HG   LYS  19          2HG       LYS  19   5.440   0.215  -5.898
  161   2HG   LYS  19          1HG       LYS  19   6.111   1.785  -6.263
  162   1HD   LYS  19          2HD       LYS  19   6.519   0.208  -3.666
  163   2HD   LYS  19          1HD       LYS  19   7.689   0.585  -4.893
  164   1HE   LYS  19          2HE       LYS  19   7.636   2.960  -4.411
  165   2HE   LYS  19          1HE       LYS  19   6.316   2.770  -3.276
  166   1HZ   LYS  19          1HZ       LYS  19   8.386   1.045  -2.530
  167   2HZ   LYS  19          2HZ       LYS  19   7.673   2.362  -1.722
  168   3HZ   LYS  19          3HZ       LYS  19   9.005   2.616  -2.751
  169    H    THR  20           H        THR  20   4.627   2.269  -2.155
  170    HA   THR  20           HA       THR  20   6.493   0.641  -1.015
  171    HB   THR  20           HB       THR  20   4.563   2.517   0.506
  172    HG1  THR  20           HG1      THR  20   5.658   3.448  -1.184
  173   1HG2  THR  20          1HG2      THR  20   7.427   1.647   1.170
  174   2HG2  THR  20          2HG2      THR  20   6.022   1.051   2.042
  175   3HG2  THR  20          3HG2      THR  20   6.431   2.754   2.102
  176    H    HIS  21           H        HIS  21   3.097   0.500  -0.502
  177    HA   HIS  21           HA       HIS  21   3.076  -1.594   1.479
  178   1HB   HIS  21          1HB       HIS  21   1.200  -0.192   1.546
  179   2HB   HIS  21          2HB       HIS  21   0.918  -0.250  -0.179
  180    HD1  HIS  21           HD1      HIS  21   0.517  -2.388   2.849
  181    HD2  HIS  21           HD2      HIS  21  -0.586  -2.461  -1.102
  182    HE1  HIS  21           HE1      HIS  21  -1.081  -4.258   2.587
  183    H    THR  22           H        THR  22   2.161  -1.714  -2.039
  184    HA   THR  22           HA       THR  22   1.367  -4.297  -2.275
  185    HB   THR  22           HB       THR  22   2.409  -4.155  -4.577
  186    HG1  THR  22           HG1      THR  22   3.958  -2.814  -4.809
  187   1HG2  THR  22          1HG2      THR  22   0.908  -1.640  -3.693
  188   2HG2  THR  22          2HG2      THR  22   0.142  -3.136  -4.184
  189   3HG2  THR  22          3HG2      THR  22   1.058  -2.195  -5.347
  190    H    ARG  23           H        ARG  23   4.579  -3.097  -1.977
  191    HA   ARG  23           HA       ARG  23   6.204  -5.202  -2.569
  192   1HB   ARG  23          1HB       ARG  23   6.399  -3.327  -0.184
  193   2HB   ARG  23          2HB       ARG  23   7.730  -4.325  -0.724
  194   1HG   ARG  23          2HG       ARG  23   7.756  -3.216  -2.921
  195   2HG   ARG  23          1HG       ARG  23   6.326  -2.287  -2.523
  196   1HD   ARG  23          2HD       ARG  23   8.434  -0.961  -2.246
  197   2HD   ARG  23          1HD       ARG  23   7.549  -1.094  -0.737
  198    HE   ARG  23           HE       ARG  23   9.904  -2.816  -1.411
  199   1HH1  ARG  23          2HH2      ARG  23   7.604  -1.973   0.969
  200   2HH1  ARG  23          1HH2      ARG  23   8.755  -1.949   2.256
  201   1HH2  ARG  23          1HH1      ARG  23  11.510  -2.330   0.152
  202   2HH2  ARG  23          2HH1      ARG  23  10.993  -2.126   1.793
  203    H    THR  24           H        THR  24   3.984  -5.312   0.060
  204    HA   THR  24           HA       THR  24   5.347  -7.426   1.555
  205    HB   THR  24           HB       THR  24   3.181  -7.430   2.912
  206    HG1  THR  24           HG1      THR  24   2.473  -5.391   1.103
  207   1HG2  THR  24          1HG2      THR  24   4.086  -4.579   2.193
  208   2HG2  THR  24          2HG2      THR  24   4.926  -5.585   3.357
  209   3HG2  THR  24          3HG2      THR  24   3.276  -5.073   3.668
  210    H    HIS  25           H        HIS  25   3.248  -7.311  -1.091
  211    HA   HIS  25           HA       HIS  25   2.357 -10.123  -0.899
  212   1HB   HIS  25          1HB       HIS  25   1.706  -8.032  -3.038
  213   2HB   HIS  25          2HB       HIS  25   0.904  -9.576  -2.808
  214    HD1  HIS  25           HD1      HIS  25   0.174  -9.436   0.102
  215    HD2  HIS  25           HD2      HIS  25  -0.178  -6.162  -2.328
  216    HE1  HIS  25           HE1      HIS  25  -1.483  -7.942   1.168
  217    H    THR  26           H        THR  26   4.176  -7.829  -2.815
  218    HA   THR  26           HA       THR  26   5.354 -10.040  -4.446
  219    HB   THR  26           HB       THR  26   4.139  -8.246  -5.717
  220    HG1  THR  26           HG1      THR  26   6.644  -9.093  -6.011
  221   1HG2  THR  26          1HG2      THR  26   6.370  -6.393  -4.708
  222   2HG2  THR  26          2HG2      THR  26   4.700  -6.283  -4.182
  223   3HG2  THR  26          3HG2      THR  26   5.110  -5.974  -5.854
  224    H    GLY  27           H        GLY  27   6.225  -9.476  -1.789
  225   1HA   GLY  27          1HA       GLY  27   9.085  -8.663  -2.234
  226   2HA   GLY  27          2HA       GLY  27   8.230  -8.368  -0.714
  227    H    GLU  28           H        GLU  28   8.548 -11.093  -2.962
  228    HA   GLU  28           HA       GLU  28   8.931 -12.970  -0.732
  229   1HB   GLU  28          1HB       GLU  28   8.310 -13.554  -3.635
  230   2HB   GLU  28          2HB       GLU  28   8.011 -14.524  -2.227
  231   1HG   GLU  28          2HG       GLU  28   6.502 -12.024  -3.085
  232   2HG   GLU  28          1HG       GLU  28   5.865 -13.643  -2.934
  233    H    LYS  29           H        LYS  29  10.266 -14.968  -1.831
  234    HA   LYS  29           HA       LYS  29  12.857 -13.771  -2.764
  235   1HB   LYS  29          1HB       LYS  29  13.961 -15.752  -1.758
  236   2HB   LYS  29          2HB       LYS  29  13.082 -14.822  -0.566
  237   1HG   LYS  29          2HG       LYS  29  11.262 -16.442  -0.512
  238   2HG   LYS  29          1HG       LYS  29  11.863 -17.265  -1.934
  239   1HD   LYS  29          2HD       LYS  29  12.405 -18.555   0.095
  240   2HD   LYS  29          1HD       LYS  29  13.863 -18.033  -0.717
  241   1HE   LYS  29          2HE       LYS  29  14.050 -17.730   1.731
  242   2HE   LYS  29          1HE       LYS  29  14.117 -16.168   0.940
  243   1HZ   LYS  29          1HZ       LYS  29  11.436 -16.799   1.481
  244   2HZ   LYS  29          2HZ       LYS  29  12.380 -15.533   2.104
  245   3HZ   LYS  29          3HZ       LYS  29  12.349 -17.037   2.892
  Start of MODEL   33
    1   1H    LYS   1          1H        LYS   1  -7.220  11.817  -1.292
    2   2H    LYS   1          2H        LYS   1  -8.730  12.459  -1.730
    3   3H    LYS   1          3H        LYS   1  -7.307  13.093  -2.410
    4    HA   LYS   1           HA       LYS   1  -8.903  10.997  -3.352
    5   1HB   LYS   1          2HB       LYS   1  -7.775  12.817  -4.666
    6   2HB   LYS   1          1HB       LYS   1  -6.219  12.083  -4.326
    7   1HG   LYS   1          2HG       LYS   1  -6.949  10.001  -5.517
    8   2HG   LYS   1          1HG       LYS   1  -8.524  10.717  -5.781
    9   1HD   LYS   1          2HD       LYS   1  -7.550  12.501  -7.156
   10   2HD   LYS   1          1HD       LYS   1  -5.927  11.935  -6.802
   11   1HE   LYS   1          2HE       LYS   1  -6.666  11.150  -9.027
   12   2HE   LYS   1          1HE       LYS   1  -6.411   9.788  -7.945
   13   1HZ   LYS   1          1HZ       LYS   1  -9.060  10.644  -7.676
   14   2HZ   LYS   1          2HZ       LYS   1  -8.475   9.169  -8.285
   15   3HZ   LYS   1          3HZ       LYS   1  -8.721  10.483  -9.331
   16    HA   PRO   2           HA       PRO   2  -6.093   8.086  -0.898
   17   1HB   PRO   2          1HB       PRO   2  -8.102   6.340  -0.362
   18   2HB   PRO   2          2HB       PRO   2  -7.737   7.727   0.661
   19   1HG   PRO   2          2HG       PRO   2  -9.816   7.575  -1.589
   20   2HG   PRO   2          1HG       PRO   2 -10.065   8.094   0.083
   21   1HD   PRO   2          1HD       PRO   2  -9.641   9.956  -1.774
   22   2HD   PRO   2          2HD       PRO   2  -8.735  10.120  -0.254
   23    H    PHE   3           H        PHE   3  -5.658   5.952  -1.296
   24    HA   PHE   3           HA       PHE   3  -6.156   4.969  -4.080
   25   1HB   PHE   3          1HB       PHE   3  -3.612   4.995  -2.407
   26   2HB   PHE   3          2HB       PHE   3  -3.775   4.001  -3.843
   27    HD1  PHE   3           HD1      PHE   3  -3.469   4.987  -6.016
   28    HD2  PHE   3           HD2      PHE   3  -3.869   7.496  -2.597
   29    HE1  PHE   3           HE1      PHE   3  -2.817   6.925  -7.362
   30    HE2  PHE   3           HE2      PHE   3  -3.222   9.443  -3.956
   31    HZ   PHE   3           HZ       PHE   3  -2.697   9.158  -6.339
   32    H    GLN   4           H        GLN   4  -5.769   2.585  -4.233
   33    HA   GLN   4           HA       GLN   4  -6.172   1.140  -1.678
   34   1HB   GLN   4          1HB       GLN   4  -8.461   1.639  -2.566
   35   2HB   GLN   4          2HB       GLN   4  -8.043   0.874  -4.089
   36   1HG   GLN   4          2HG       GLN   4  -7.792  -1.298  -3.020
   37   2HG   GLN   4          1HG       GLN   4  -7.932  -0.596  -1.417
   38   1HE2  GLN   4          2HE2      GLN   4  -9.906  -0.989  -0.538
   39   2HE2  GLN   4          1HE2      GLN   4 -11.367  -1.110  -1.391
   40    H    CYS   5           H        CYS   5  -5.670  -1.025  -1.750
   41    HA   CYS   5           HA       CYS   5  -3.704  -1.798  -3.850
   42   1HB   CYS   5          1HB       CYS   5  -3.084  -1.982  -1.502
   43   2HB   CYS   5          2HB       CYS   5  -4.461  -3.036  -1.205
   44    H    LYS   6           H        LYS   6  -4.133  -3.342  -5.286
   45    HA   LYS   6           HA       LYS   6  -6.863  -4.579  -5.274
   46   1HB   LYS   6          1HB       LYS   6  -4.897  -4.332  -7.592
   47   2HB   LYS   6          2HB       LYS   6  -6.592  -4.745  -7.692
   48   1HG   LYS   6          2HG       LYS   6  -5.483  -2.055  -6.746
   49   2HG   LYS   6          1HG       LYS   6  -6.132  -2.355  -8.332
   50   1HD   LYS   6          2HD       LYS   6  -7.717  -2.572  -5.722
   51   2HD   LYS   6          1HD       LYS   6  -7.759  -1.210  -6.814
   52   1HE   LYS   6          2HE       LYS   6  -8.685  -4.036  -7.512
   53   2HE   LYS   6          1HE       LYS   6  -9.700  -2.637  -7.226
   54   1HZ   LYS   6          1HZ       LYS   6  -7.820  -1.921  -9.150
   55   2HZ   LYS   6          2HZ       LYS   6  -9.499  -2.092  -9.318
   56   3HZ   LYS   6          3HZ       LYS   6  -8.475  -3.420  -9.602
   57    H    THR   7           H        THR   7  -4.747  -5.439  -3.643
   58    HA   THR   7           HA       THR   7  -4.305  -8.207  -4.656
   59    HB   THR   7           HB       THR   7  -2.315  -6.584  -2.919
   60    HG1  THR   7           HG1      THR   7  -2.871  -6.657  -5.576
   61   1HG2  THR   7          1HG2      THR   7  -2.049  -9.168  -4.561
   62   2HG2  THR   7          2HG2      THR   7  -2.204  -9.181  -2.812
   63   3HG2  THR   7          3HG2      THR   7  -0.793  -8.457  -3.568
   64    H    CYS   8           H        CYS   8  -4.736  -6.021  -1.885
   65    HA   CYS   8           HA       CYS   8  -5.830  -8.354  -0.346
   66   1HB   CYS   8          1HB       CYS   8  -5.014  -7.315   1.698
   67   2HB   CYS   8          2HB       CYS   8  -3.678  -7.558   0.571
   68    H    GLN   9           H        GLN   9  -5.966  -4.995  -0.997
   69    HA   GLN   9           HA       GLN   9  -7.806  -3.560  -1.355
   70   1HB   GLN   9          1HB       GLN   9  -9.522  -5.713   0.071
   71   2HB   GLN   9          2HB       GLN   9 -10.091  -4.146  -0.397
   72   1HG   GLN   9          2HG       GLN   9 -10.640  -5.725  -2.180
   73   2HG   GLN   9          1HG       GLN   9  -9.503  -4.527  -2.763
   74   1HE2  GLN   9          2HE2      GLN   9  -7.500  -5.259  -3.554
   75   2HE2  GLN   9          1HE2      GLN   9  -7.050  -6.896  -3.595
   76    H    ARG  10           H        ARG  10  -6.067  -2.837   0.070
   77    HA   ARG  10           HA       ARG  10  -7.113  -1.821   2.686
   78   1HB   ARG  10          1HB       ARG  10  -5.116  -3.390   2.833
   79   2HB   ARG  10          2HB       ARG  10  -4.227  -2.290   1.780
   80   1HG   ARG  10          2HG       ARG  10  -4.340  -0.518   3.465
   81   2HG   ARG  10          1HG       ARG  10  -5.371  -1.508   4.491
   82   1HD   ARG  10          2HD       ARG  10  -3.558  -3.188   4.727
   83   2HD   ARG  10          1HD       ARG  10  -2.534  -2.260   3.632
   84    HE   ARG  10           HE       ARG  10  -3.479  -1.217   6.282
   85   1HH1  ARG  10          2HH2      ARG  10  -0.779  -2.655   5.588
   86   2HH1  ARG  10          1HH2      ARG  10   0.285  -1.287   5.565
   87   1HH2  ARG  10          1HH1      ARG  10  -2.366   1.012   5.471
   88   2HH2  ARG  10          2HH1      ARG  10  -0.641   0.852   5.502
   89    H    LYS  11           H        LYS  11  -6.554   0.534   2.956
   90    HA   LYS  11           HA       LYS  11  -6.124   1.768   0.265
   91   1HB   LYS  11          1HB       LYS  11  -7.683   2.864   2.645
   92   2HB   LYS  11          2HB       LYS  11  -7.429   3.727   1.145
   93   1HG   LYS  11          2HG       LYS  11  -8.547   1.746  -0.059
   94   2HG   LYS  11          1HG       LYS  11  -8.939   1.095   1.517
   95   1HD   LYS  11          2HD       LYS  11 -10.893   2.308   0.800
   96   2HD   LYS  11          1HD       LYS  11 -10.139   3.300   2.030
   97   1HE   LYS  11          2HE       LYS  11  -9.022   4.650   0.239
   98   2HE   LYS  11          1HE       LYS  11  -9.824   3.682  -0.983
   99   1HZ   LYS  11          1HZ       LYS  11 -11.735   4.601   0.844
  100   2HZ   LYS  11          2HZ       LYS  11 -11.570   4.974  -0.807
  101   3HZ   LYS  11          3HZ       LYS  11 -10.770   5.914   0.359
  102    H    PHE  12           H        PHE  12  -5.242   3.937   0.217
  103    HA   PHE  12           HA       PHE  12  -3.319   4.601   2.368
  104   1HB   PHE  12          1HB       PHE  12  -2.595   4.207  -0.602
  105   2HB   PHE  12          2HB       PHE  12  -1.486   4.720   0.650
  106    HD1  PHE  12           HD1      PHE  12  -0.878   3.167   2.504
  107    HD2  PHE  12           HD2      PHE  12  -3.364   1.839  -0.704
  108    HE1  PHE  12           HE1      PHE  12  -0.565   0.838   3.204
  109    HE2  PHE  12           HE2      PHE  12  -3.040  -0.486   0.014
  110    HZ   PHE  12           HZ       PHE  12  -1.653  -0.976   1.965
  111    H    SER  13           H        SER  13  -2.169   6.744   1.469
  112    HA   SER  13           HA       SER  13  -4.402   8.609   0.783
  113   1HB   SER  13          2HB       SER  13  -2.872  10.358   1.775
  114   2HB   SER  13          1HB       SER  13  -3.277   9.102   2.928
  115    HG   SER  13           HG       SER  13  -1.228   8.666   2.996
  116    H    ARG  14           H        ARG  14  -1.117   7.708   0.002
  117    HA   ARG  14           HA       ARG  14  -1.268   9.278  -2.544
  118   1HB   ARG  14          1HB       ARG  14   1.140   8.467  -0.879
  119   2HB   ARG  14          2HB       ARG  14   1.231   9.213  -2.471
  120   1HG   ARG  14          2HG       ARG  14   0.153  11.223  -1.700
  121   2HG   ARG  14          1HG       ARG  14  -0.157  10.516  -0.121
  122   1HD   ARG  14          2HD       ARG  14   2.193  10.411   0.397
  123   2HD   ARG  14          1HD       ARG  14   2.677  10.768  -1.244
  124    HE   ARG  14           HE       ARG  14   1.724  13.065  -0.879
  125   1HH1  ARG  14          2HH2      ARG  14   4.015  12.403   1.060
  126   2HH1  ARG  14          1HH2      ARG  14   3.385  13.056   2.535
  127   1HH2  ARG  14          1HH1      ARG  14   0.121  13.273   1.280
  128   2HH2  ARG  14          2HH1      ARG  14   1.119  13.554   2.666
  129    H    SER  15           H        SER  15   0.384   8.337  -4.120
  130    HA   SER  15           HA       SER  15  -0.452   5.570  -4.689
  131   1HB   SER  15          2HB       SER  15   0.452   6.041  -6.956
  132   2HB   SER  15          1HB       SER  15  -0.533   7.398  -6.445
  133    HG   SER  15           HG       SER  15   2.108   7.342  -6.939
  134    H    ASP  16           H        ASP  16   2.462   7.423  -3.981
  135    HA   ASP  16           HA       ASP  16   4.348   5.300  -4.464
  136   1HB   ASP  16          1HB       ASP  16   5.947   6.701  -3.282
  137   2HB   ASP  16          2HB       ASP  16   4.915   7.818  -4.177
  138    H    HIS  17           H        HIS  17   2.309   6.361  -1.840
  139    HA   HIS  17           HA       HIS  17   3.369   4.701   0.208
  140   1HB   HIS  17          1HB       HIS  17   0.505   5.750  -0.232
  141   2HB   HIS  17          2HB       HIS  17   0.985   4.890   1.223
  142    HD1  HIS  17           HD1      HIS  17   0.161   7.551   1.904
  143    HD2  HIS  17           HD2      HIS  17   3.969   7.027   0.538
  144    HE1  HIS  17           HE1      HIS  17   1.446   9.490   2.677
  145    H    LEU  18           H        LEU  18   0.468   4.268  -1.796
  146    HA   LEU  18           HA       LEU  18  -0.207   1.665  -1.318
  147   1HB   LEU  18          1HB       LEU  18  -1.486   3.092  -2.847
  148   2HB   LEU  18          2HB       LEU  18  -0.166   3.130  -4.005
  149    HG   LEU  18           HG       LEU  18  -0.437   0.563  -4.181
  150   1HD1  LEU  18          1HD1      LEU  18  -2.986   1.127  -2.695
  151   2HD1  LEU  18          2HD1      LEU  18  -1.612   0.218  -2.057
  152   3HD1  LEU  18          3HD1      LEU  18  -2.489  -0.383  -3.442
  153   1HD2  LEU  18          1HD2      LEU  18  -2.406   0.747  -5.672
  154   2HD2  LEU  18          2HD2      LEU  18  -1.356   2.130  -5.901
  155   3HD2  LEU  18          3HD2      LEU  18  -2.830   2.294  -4.962
  156    H    LYS  19           H        LYS  19   2.130   2.624  -3.837
  157    HA   LYS  19           HA       LYS  19   2.932   0.103  -4.714
  158   1HB   LYS  19          1HB       LYS  19   3.659   2.207  -5.781
  159   2HB   LYS  19          2HB       LYS  19   4.605   2.648  -4.374
  160   1HG   LYS  19          2HG       LYS  19   6.078   0.672  -4.707
  161   2HG   LYS  19          1HG       LYS  19   5.128   0.168  -6.086
  162   1HD   LYS  19          2HD       LYS  19   6.637   2.813  -5.909
  163   2HD   LYS  19          1HD       LYS  19   7.253   1.371  -6.685
  164   1HE   LYS  19          2HE       LYS  19   5.267   1.398  -8.243
  165   2HE   LYS  19          1HE       LYS  19   4.752   2.914  -7.515
  166   1HZ   LYS  19          1HZ       LYS  19   7.445   3.147  -8.184
  167   2HZ   LYS  19          2HZ       LYS  19   6.112   3.982  -8.830
  168   3HZ   LYS  19          3HZ       LYS  19   6.621   2.517  -9.530
  169    H    THR  20           H        THR  20   4.732   2.010  -2.314
  170    HA   THR  20           HA       THR  20   6.581   0.190  -1.451
  171    HB   THR  20           HB       THR  20   4.969   2.133   0.338
  172    HG1  THR  20           HG1      THR  20   5.852   3.172  -1.333
  173   1HG2  THR  20          1HG2      THR  20   7.871   1.149   0.557
  174   2HG2  THR  20          2HG2      THR  20   6.599   0.528   1.594
  175   3HG2  THR  20          3HG2      THR  20   7.048   2.221   1.677
  176    H    HIS  21           H        HIS  21   3.285   0.445  -0.399
  177    HA   HIS  21           HA       HIS  21   3.288  -1.660   1.511
  178   1HB   HIS  21          1HB       HIS  21   1.453  -0.190   1.690
  179   2HB   HIS  21          2HB       HIS  21   1.088  -0.187  -0.015
  180    HD1  HIS  21           HD1      HIS  21   0.698  -2.337   2.990
  181    HD2  HIS  21           HD2      HIS  21  -0.517  -2.344  -0.928
  182    HE1  HIS  21           HE1      HIS  21  -0.964  -4.157   2.759
  183    H    THR  22           H        THR  22   1.950  -1.761  -1.773
  184    HA   THR  22           HA       THR  22   1.261  -4.461  -1.859
  185    HB   THR  22           HB       THR  22   2.287  -2.893  -4.261
  186    HG1  THR  22           HG1      THR  22   0.333  -2.391  -2.546
  187   1HG2  THR  22          1HG2      THR  22   0.086  -5.003  -4.018
  188   2HG2  THR  22          2HG2      THR  22   1.688  -5.354  -4.643
  189   3HG2  THR  22          3HG2      THR  22   0.640  -4.240  -5.495
  190    H    ARG  23           H        ARG  23   4.375  -3.014  -2.138
  191    HA   ARG  23           HA       ARG  23   5.633  -5.366  -3.264
  192   1HB   ARG  23          1HB       ARG  23   6.326  -2.936  -3.571
  193   2HB   ARG  23          2HB       ARG  23   6.937  -2.954  -1.932
  194   1HG   ARG  23          2HG       ARG  23   8.647  -4.576  -2.482
  195   2HG   ARG  23          1HG       ARG  23   7.851  -4.992  -3.989
  196   1HD   ARG  23          2HD       ARG  23   8.340  -2.735  -4.891
  197   2HD   ARG  23          1HD       ARG  23   9.039  -2.248  -3.353
  198    HE   ARG  23           HE       ARG  23  10.227  -4.408  -5.067
  199   1HH1  ARG  23          2HH2      ARG  23  10.613  -1.201  -4.126
  200   2HH1  ARG  23          1HH2      ARG  23  12.272  -1.377  -3.653
  201   1HH2  ARG  23          1HH1      ARG  23  12.252  -4.829  -4.023
  202   2HH2  ARG  23          2HH1      ARG  23  13.212  -3.466  -3.554
  203    H    THR  24           H        THR  24   4.138  -5.898  -1.033
  204    HA   THR  24           HA       THR  24   6.008  -7.030   0.963
  205    HB   THR  24           HB       THR  24   4.465  -5.100   1.929
  206    HG1  THR  24           HG1      THR  24   4.932  -7.674   2.674
  207   1HG2  THR  24          1HG2      THR  24   2.340  -7.327   1.662
  208   2HG2  THR  24          2HG2      THR  24   2.301  -5.914   0.633
  209   3HG2  THR  24          3HG2      THR  24   2.118  -5.737   2.370
  210    H    HIS  25           H        HIS  25   3.335  -7.181  -1.176
  211    HA   HIS  25           HA       HIS  25   2.476  -9.922  -0.557
  212   1HB   HIS  25          1HB       HIS  25   1.722  -8.102  -2.895
  213   2HB   HIS  25          2HB       HIS  25   0.946  -9.616  -2.486
  214    HD1  HIS  25           HD1      HIS  25   0.154  -9.306   0.318
  215    HD2  HIS  25           HD2      HIS  25   0.024  -6.079  -2.212
  216    HE1  HIS  25           HE1      HIS  25  -1.454  -7.716   1.304
  217    H    THR  26           H        THR  26   4.038  -8.064  -3.068
  218    HA   THR  26           HA       THR  26   4.665 -10.291  -4.802
  219    HB   THR  26           HB       THR  26   5.917  -7.478  -4.686
  220    HG1  THR  26           HG1      THR  26   4.136  -7.948  -6.631
  221   1HG2  THR  26          1HG2      THR  26   5.633  -9.496  -7.001
  222   2HG2  THR  26          2HG2      THR  26   7.142  -9.218  -6.149
  223   3HG2  THR  26          3HG2      THR  26   6.419  -7.928  -7.093
  224    H    GLY  27           H        GLY  27   6.557  -8.223  -2.767
  225   1HA   GLY  27          1HA       GLY  27   8.157  -9.035  -1.102
  226   2HA   GLY  27          2HA       GLY  27   8.344 -10.500  -2.056
  227    H    GLU  28           H        GLU  28   8.861  -9.635  -4.511
  228    HA   GLU  28           HA       GLU  28  11.050  -9.512  -5.436
  229   1HB   GLU  28          1HB       GLU  28  10.599  -7.554  -6.800
  230   2HB   GLU  28          2HB       GLU  28   9.196  -8.541  -6.588
  231   1HG   GLU  28          2HG       GLU  28   8.188  -7.060  -5.003
  232   2HG   GLU  28          1HG       GLU  28   9.656  -6.150  -4.751
  233    H    LYS  29           H        LYS  29  12.386  -9.397  -3.394
  234    HA   LYS  29           HA       LYS  29  14.453  -8.611  -2.612
  235   1HB   LYS  29          1HB       LYS  29  13.890  -5.887  -3.933
  236   2HB   LYS  29          2HB       LYS  29  15.392  -6.458  -3.283
  237   1HG   LYS  29          2HG       LYS  29  15.525  -8.250  -4.981
  238   2HG   LYS  29          1HG       LYS  29  14.015  -7.716  -5.692
  239   1HD   LYS  29          2HD       LYS  29  14.991  -5.482  -6.158
  240   2HD   LYS  29          1HD       LYS  29  16.526  -6.003  -5.485
  241   1HE   LYS  29          2HE       LYS  29  15.127  -7.261  -7.886
  242   2HE   LYS  29          1HE       LYS  29  16.535  -6.210  -7.962
  243   1HZ   LYS  29          1HZ       LYS  29  17.079  -8.275  -6.158
  244   2HZ   LYS  29          2HZ       LYS  29  17.816  -7.950  -7.652
  245   3HZ   LYS  29          3HZ       LYS  29  16.455  -8.965  -7.577
  Start of MODEL   34
    1   1H    LYS   1          1H        LYS   1  -7.817  10.819  -0.937
    2   2H    LYS   1          2H        LYS   1  -8.845  11.960  -1.666
    3   3H    LYS   1          3H        LYS   1  -7.376  12.459  -0.970
    4    HA   LYS   1           HA       LYS   1  -7.873  11.622  -3.608
    5   1HB   LYS   1          2HB       LYS   1  -6.360  13.490  -2.676
    6   2HB   LYS   1          1HB       LYS   1  -5.244  12.224  -2.200
    7   1HG   LYS   1          2HG       LYS   1  -5.103  11.514  -4.643
    8   2HG   LYS   1          1HG       LYS   1  -6.167  12.839  -5.048
    9   1HD   LYS   1          2HD       LYS   1  -3.848  13.544  -5.445
   10   2HD   LYS   1          1HD       LYS   1  -4.511  14.469  -4.114
   11   1HE   LYS   1          2HE       LYS   1  -2.201  13.646  -3.609
   12   2HE   LYS   1          1HE       LYS   1  -3.353  12.992  -2.467
   13   1HZ   LYS   1          1HZ       LYS   1  -3.198  11.310  -4.714
   14   2HZ   LYS   1          2HZ       LYS   1  -2.822  10.970  -3.099
   15   3HZ   LYS   1          3HZ       LYS   1  -1.631  11.604  -4.137
   16    HA   PRO   2           HA       PRO   2  -6.492   7.762  -1.387
   17   1HB   PRO   2          1HB       PRO   2  -8.933   6.356  -2.195
   18   2HB   PRO   2          2HB       PRO   2  -8.409   6.863  -0.591
   19   1HG   PRO   2          2HG       PRO   2 -10.537   8.076  -1.858
   20   2HG   PRO   2          1HG       PRO   2  -9.474   8.987  -0.782
   21   1HD   PRO   2          1HD       PRO   2  -9.273   8.748  -3.834
   22   2HD   PRO   2          2HD       PRO   2  -9.338  10.230  -2.854
   23    H    PHE   3           H        PHE   3  -5.942   5.716  -1.797
   24    HA   PHE   3           HA       PHE   3  -5.710   4.716  -4.599
   25   1HB   PHE   3          1HB       PHE   3  -3.534   5.130  -2.508
   26   2HB   PHE   3          2HB       PHE   3  -3.310   3.995  -3.826
   27    HD1  PHE   3           HD1      PHE   3  -2.855   4.789  -6.064
   28    HD2  PHE   3           HD2      PHE   3  -3.842   7.562  -2.982
   29    HE1  PHE   3           HE1      PHE   3  -2.153   6.640  -7.501
   30    HE2  PHE   3           HE2      PHE   3  -3.158   9.408  -4.430
   31    HZ   PHE   3           HZ       PHE   3  -2.309   8.959  -6.693
   32    H    GLN   4           H        GLN   4  -5.501   2.292  -4.579
   33    HA   GLN   4           HA       GLN   4  -5.925   1.062  -1.907
   34   1HB   GLN   4          1HB       GLN   4  -8.206   1.538  -2.777
   35   2HB   GLN   4          2HB       GLN   4  -7.832   0.700  -4.272
   36   1HG   GLN   4          2HG       GLN   4  -7.635  -1.442  -3.093
   37   2HG   GLN   4          1HG       GLN   4  -7.764  -0.648  -1.529
   38   1HE2  GLN   4          2HE2      GLN   4  -9.752  -1.083  -0.666
   39   2HE2  GLN   4          1HE2      GLN   4 -11.217  -1.117  -1.524
   40    H    CYS   5           H        CYS   5  -5.569  -1.155  -1.782
   41    HA   CYS   5           HA       CYS   5  -3.600  -2.137  -3.775
   42   1HB   CYS   5          1HB       CYS   5  -3.015  -2.281  -1.409
   43   2HB   CYS   5          2HB       CYS   5  -4.515  -3.130  -1.052
   44    H    LYS   6           H        LYS   6  -3.941  -3.824  -5.073
   45    HA   LYS   6           HA       LYS   6  -6.730  -4.881  -5.282
   46   1HB   LYS   6          1HB       LYS   6  -4.456  -5.061  -7.290
   47   2HB   LYS   6          2HB       LYS   6  -6.147  -5.403  -7.602
   48   1HG   LYS   6          2HG       LYS   6  -6.727  -3.011  -7.122
   49   2HG   LYS   6          1HG       LYS   6  -5.031  -2.662  -6.861
   50   1HD   LYS   6          2HD       LYS   6  -6.205  -3.679  -9.483
   51   2HD   LYS   6          1HD       LYS   6  -5.765  -2.017  -9.150
   52   1HE   LYS   6          2HE       LYS   6  -3.375  -2.752  -8.776
   53   2HE   LYS   6          1HE       LYS   6  -3.840  -4.390  -9.215
   54   1HZ   LYS   6          1HZ       LYS   6  -4.769  -2.674 -11.201
   55   2HZ   LYS   6          2HZ       LYS   6  -3.587  -3.888 -11.305
   56   3HZ   LYS   6          3HZ       LYS   6  -3.138  -2.300 -10.900
   57    H    THR   7           H        THR   7  -5.028  -5.752  -3.276
   58    HA   THR   7           HA       THR   7  -4.750  -8.631  -3.977
   59    HB   THR   7           HB       THR   7  -2.671  -7.083  -2.312
   60    HG1  THR   7           HG1      THR   7  -3.078  -7.450  -4.986
   61   1HG2  THR   7          1HG2      THR   7  -2.657  -9.865  -3.626
   62   2HG2  THR   7          2HG2      THR   7  -2.910  -9.634  -1.904
   63   3HG2  THR   7          3HG2      THR   7  -1.377  -9.198  -2.636
   64    H    CYS   8           H        CYS   8  -4.868  -6.213  -1.346
   65    HA   CYS   8           HA       CYS   8  -6.330  -8.280   0.281
   66   1HB   CYS   8          1HB       CYS   8  -5.316  -7.291   2.273
   67   2HB   CYS   8          2HB       CYS   8  -4.075  -7.849   1.151
   68    H    GLN   9           H        GLN   9  -6.237  -5.161  -0.990
   69    HA   GLN   9           HA       GLN   9  -7.836  -3.525  -1.250
   70   1HB   GLN   9          1HB       GLN   9  -9.660  -5.453   0.334
   71   2HB   GLN   9          2HB       GLN   9 -10.165  -3.894  -0.248
   72   1HG   GLN   9          2HG       GLN   9 -10.803  -5.571  -1.891
   73   2HG   GLN   9          1HG       GLN   9  -9.581  -4.522  -2.581
   74   1HE2  GLN   9          2HE2      GLN   9  -7.927  -5.602  -3.626
   75   2HE2  GLN   9          1HE2      GLN   9  -7.484  -7.222  -3.362
   76    H    ARG  10           H        ARG  10  -5.981  -2.943   0.209
   77    HA   ARG  10           HA       ARG  10  -6.957  -1.721   2.770
   78   1HB   ARG  10          1HB       ARG  10  -4.909  -3.164   3.005
   79   2HB   ARG  10          2HB       ARG  10  -4.115  -2.263   1.725
   80   1HG   ARG  10          2HG       ARG  10  -4.183  -0.208   3.081
   81   2HG   ARG  10          1HG       ARG  10  -5.104  -1.026   4.332
   82   1HD   ARG  10          2HD       ARG  10  -3.240  -2.483   4.855
   83   2HD   ARG  10          1HD       ARG  10  -2.319  -1.919   3.470
   84    HE   ARG  10           HE       ARG  10  -2.292   0.347   4.588
   85   1HH1  ARG  10          2HH2      ARG  10  -4.170  -1.297   6.650
   86   2HH1  ARG  10          1HH2      ARG  10  -3.153  -1.177   8.044
   87   1HH2  ARG  10          1HH1      ARG  10  -0.418  -0.005   6.183
   88   2HH2  ARG  10          2HH1      ARG  10  -0.960  -0.424   7.775
   89    H    LYS  11           H        LYS  11  -6.695   0.583   2.821
   90    HA   LYS  11           HA       LYS  11  -6.275   1.726   0.099
   91   1HB   LYS  11          1HB       LYS  11  -8.562   1.938   0.873
   92   2HB   LYS  11          2HB       LYS  11  -8.054   2.533   2.434
   93   1HG   LYS  11          2HG       LYS  11  -7.398   4.681   1.506
   94   2HG   LYS  11          1HG       LYS  11  -7.567   4.096  -0.132
   95   1HD   LYS  11          2HD       LYS  11  -9.519   5.507   0.648
   96   2HD   LYS  11          1HD       LYS  11  -9.954   3.929   0.035
   97   1HE   LYS  11          2HE       LYS  11 -11.179   4.547   2.142
   98   2HE   LYS  11          1HE       LYS  11 -10.245   3.082   2.341
   99   1HZ   LYS  11          1HZ       LYS  11  -8.623   5.286   2.972
  100   2HZ   LYS  11          2HZ       LYS  11  -9.157   4.033   3.985
  101   3HZ   LYS  11          3HZ       LYS  11 -10.094   5.439   3.807
  102    H    PHE  12           H        PHE  12  -5.360   3.789  -0.037
  103    HA   PHE  12           HA       PHE  12  -3.584   4.698   2.153
  104   1HB   PHE  12          1HB       PHE  12  -2.821   4.173  -0.761
  105   2HB   PHE  12          2HB       PHE  12  -1.746   4.853   0.444
  106    HD1  PHE  12           HD1      PHE  12  -1.016   3.462   2.383
  107    HD2  PHE  12           HD2      PHE  12  -3.413   1.768  -0.721
  108    HE1  PHE  12           HE1      PHE  12  -0.489   1.210   3.186
  109    HE2  PHE  12           HE2      PHE  12  -2.871  -0.479   0.093
  110    HZ   PHE  12           HZ       PHE  12  -1.418  -0.749   2.043
  111    H    SER  13           H        SER  13  -2.459   6.769   1.185
  112    HA   SER  13           HA       SER  13  -4.632   8.597   0.247
  113   1HB   SER  13          2HB       SER  13  -3.284  10.378   1.424
  114   2HB   SER  13          1HB       SER  13  -3.836   9.130   2.528
  115    HG   SER  13           HG       SER  13  -1.815   8.683   2.874
  116    H    ARG  14           H        ARG  14  -1.298   7.638  -0.161
  117    HA   ARG  14           HA       ARG  14  -1.137   9.282  -2.668
  118   1HB   ARG  14          1HB       ARG  14   1.094   8.408  -0.788
  119   2HB   ARG  14          2HB       ARG  14   1.353   9.202  -2.334
  120   1HG   ARG  14          2HG       ARG  14   0.141  11.191  -1.592
  121   2HG   ARG  14          1HG       ARG  14  -0.187  10.434  -0.040
  122   1HD   ARG  14          2HD       ARG  14   2.155  10.351   0.516
  123   2HD   ARG  14          1HD       ARG  14   2.669  10.790  -1.084
  124    HE   ARG  14           HE       ARG  14   1.542  13.049  -0.592
  125   1HH1  ARG  14          1HH1      ARG  14   0.771  11.525   2.101
  126   2HH1  ARG  14          2HH1      ARG  14   1.731  12.448   3.211
  127   1HH2  ARG  14          2HH2      ARG  14   3.578  13.975   0.655
  128   2HH2  ARG  14          1HH2      ARG  14   3.366  13.862   2.371
  129    H    SER  15           H        SER  15   0.808   8.275  -3.968
  130    HA   SER  15           HA       SER  15  -0.004   5.493  -4.626
  131   1HB   SER  15          2HB       SER  15   1.139   5.981  -6.812
  132   2HB   SER  15          1HB       SER  15  -0.044   7.211  -6.448
  133    HG   SER  15           HG       SER  15   1.510   8.599  -6.303
  134    H    ASP  16           H        ASP  16   2.601   7.415  -3.373
  135    HA   ASP  16           HA       ASP  16   4.567   5.202  -3.601
  136   1HB   ASP  16          1HB       ASP  16   6.153   6.883  -2.645
  137   2HB   ASP  16          2HB       ASP  16   5.330   7.529  -4.062
  138    H    HIS  17           H        HIS  17   2.145   5.170  -2.065
  139    HA   HIS  17           HA       HIS  17   3.106   4.465   0.660
  140   1HB   HIS  17          1HB       HIS  17   0.438   5.666  -0.289
  141   2HB   HIS  17          2HB       HIS  17   0.601   4.890   1.275
  142    HD1  HIS  17           HD1      HIS  17  -0.108   7.490   1.922
  143    HD2  HIS  17           HD2      HIS  17   3.764   6.994   0.719
  144    HE1  HIS  17           HE1      HIS  17   1.134   9.442   2.721
  145    H    LEU  18           H        LEU  18   0.980   4.030  -2.042
  146    HA   LEU  18           HA       LEU  18   0.059   1.364  -1.359
  147   1HB   LEU  18          1HB       LEU  18  -1.358   2.907  -2.674
  148   2HB   LEU  18          2HB       LEU  18  -0.124   3.005  -3.928
  149    HG   LEU  18           HG       LEU  18  -0.406   0.451  -4.214
  150   1HD1  LEU  18          1HD1      LEU  18  -2.870   0.926  -2.537
  151   2HD1  LEU  18          2HD1      LEU  18  -1.458  -0.010  -2.052
  152   3HD1  LEU  18          3HD1      LEU  18  -2.443  -0.542  -3.393
  153   1HD2  LEU  18          1HD2      LEU  18  -1.408   2.122  -5.785
  154   2HD2  LEU  18          2HD2      LEU  18  -2.830   2.222  -4.763
  155   3HD2  LEU  18          3HD2      LEU  18  -2.452   0.726  -5.592
  156    H    LYS  19           H        LYS  19   2.279   2.675  -3.881
  157    HA   LYS  19           HA       LYS  19   3.085   0.053  -4.773
  158   1HB   LYS  19          1HB       LYS  19   4.420   2.774  -5.180
  159   2HB   LYS  19          2HB       LYS  19   4.790   1.325  -6.091
  160   1HG   LYS  19          2HG       LYS  19   2.067   2.709  -6.059
  161   2HG   LYS  19          1HG       LYS  19   3.260   2.848  -7.333
  162   1HD   LYS  19          2HD       LYS  19   3.099   0.381  -7.744
  163   2HD   LYS  19          1HD       LYS  19   1.868   0.265  -6.495
  164   1HE   LYS  19          2HE       LYS  19   0.394   1.809  -7.742
  165   2HE   LYS  19          1HE       LYS  19   1.618   1.967  -8.998
  166   1HZ   LYS  19          1HZ       LYS  19   1.176  -0.752  -8.566
  167   2HZ   LYS  19          2HZ       LYS  19   0.821   0.174  -9.945
  168   3HZ   LYS  19          3HZ       LYS  19  -0.339   0.002  -8.717
  169    H    THR  20           H        THR  20   3.602   1.342  -1.938
  170    HA   THR  20           HA       THR  20   6.402   0.362  -1.567
  171    HB   THR  20           HB       THR  20   4.658   2.102   0.316
  172    HG1  THR  20           HG1      THR  20   5.975   2.628  -1.980
  173   1HG2  THR  20          1HG2      THR  20   7.696   1.662   0.145
  174   2HG2  THR  20          2HG2      THR  20   6.680   0.865   1.336
  175   3HG2  THR  20          3HG2      THR  20   6.848   2.612   1.360
  176    H    HIS  21           H        HIS  21   3.105   0.387  -0.467
  177    HA   HIS  21           HA       HIS  21   3.158  -1.612   1.529
  178   1HB   HIS  21          1HB       HIS  21   1.236  -0.201   1.418
  179   2HB   HIS  21          2HB       HIS  21   0.977  -0.510  -0.285
  180    HD1  HIS  21           HD1      HIS  21   0.587  -2.243   2.999
  181    HD2  HIS  21           HD2      HIS  21  -0.461  -2.809  -0.913
  182    HE1  HIS  21           HE1      HIS  21  -0.982  -4.154   2.961
  183    H    THR  22           H        THR  22   2.061  -1.914  -1.839
  184    HA   THR  22           HA       THR  22   1.472  -4.557  -2.033
  185    HB   THR  22           HB       THR  22   2.147  -4.145  -4.511
  186    HG1  THR  22           HG1      THR  22   2.528  -1.572  -3.493
  187   1HG2  THR  22          1HG2      THR  22   0.414  -2.006  -3.141
  188   2HG2  THR  22          2HG2      THR  22  -0.177  -3.587  -3.612
  189   3HG2  THR  22          3HG2      THR  22   0.354  -2.452  -4.841
  190    H    ARG  23           H        ARG  23   4.599  -3.281  -1.611
  191    HA   ARG  23           HA       ARG  23   6.055  -5.340  -2.908
  192   1HB   ARG  23          1HB       ARG  23   6.908  -3.598  -0.564
  193   2HB   ARG  23          2HB       ARG  23   7.997  -4.475  -1.620
  194   1HG   ARG  23          2HG       ARG  23   6.959  -3.144  -3.590
  195   2HG   ARG  23          1HG       ARG  23   6.147  -2.164  -2.388
  196   1HD   ARG  23          2HD       ARG  23   8.197  -1.027  -2.995
  197   2HD   ARG  23          1HD       ARG  23   8.406  -1.654  -1.364
  198    HE   ARG  23           HE       ARG  23   9.472  -2.965  -3.849
  199   1HH1  ARG  23          2HH2      ARG  23   9.964  -1.934  -0.579
  200   2HH1  ARG  23          1HH2      ARG  23  11.326  -2.976  -0.352
  201   1HH2  ARG  23          1HH1      ARG  23  11.054  -4.439  -3.498
  202   2HH2  ARG  23          2HH1      ARG  23  11.953  -4.411  -2.019
  203    H    THR  24           H        THR  24   4.169  -5.481  -0.175
  204    HA   THR  24           HA       THR  24   5.663  -7.573   1.262
  205    HB   THR  24           HB       THR  24   4.330  -5.715   2.500
  206    HG1  THR  24           HG1      THR  24   4.404  -8.391   2.811
  207   1HG2  THR  24          1HG2      THR  24   1.932  -7.454   1.643
  208   2HG2  THR  24          2HG2      THR  24   2.209  -5.867   0.964
  209   3HG2  THR  24          3HG2      THR  24   1.877  -6.041   2.678
  210    H    HIS  25           H        HIS  25   3.622  -7.348  -1.340
  211    HA   HIS  25           HA       HIS  25   2.489 -10.093  -1.018
  212   1HB   HIS  25          1HB       HIS  25   1.650  -7.873  -2.935
  213   2HB   HIS  25          2HB       HIS  25   0.910  -9.450  -2.816
  214    HD1  HIS  25           HD1      HIS  25   0.409  -9.598   0.200
  215    HD2  HIS  25           HD2      HIS  25  -0.220  -6.197  -1.967
  216    HE1  HIS  25           HE1      HIS  25  -1.219  -8.247   1.481
  217    H    THR  26           H        THR  26   3.825  -7.866  -3.432
  218    HA   THR  26           HA       THR  26   5.260 -10.166  -4.698
  219    HB   THR  26           HB       THR  26   3.743  -7.993  -6.282
  220    HG1  THR  26           HG1      THR  26   2.839 -10.516  -6.445
  221   1HG2  THR  26          1HG2      THR  26   4.825 -10.762  -7.086
  222   2HG2  THR  26          2HG2      THR  26   5.663  -9.279  -7.511
  223   3HG2  THR  26          3HG2      THR  26   4.065  -9.597  -8.155
  224    H    GLY  27           H        GLY  27   6.551  -8.623  -2.952
  225   1HA   GLY  27          1HA       GLY  27   8.355  -6.935  -4.654
  226   2HA   GLY  27          2HA       GLY  27   7.884  -6.418  -3.045
  227    H    GLU  28           H        GLU  28   8.077  -9.605  -2.788
  228    HA   GLU  28           HA       GLU  28  10.965  -9.652  -2.022
  229   1HB   GLU  28          1HB       GLU  28   9.361  -9.726  -0.089
  230   2HB   GLU  28          2HB       GLU  28   8.609 -11.142  -0.801
  231   1HG   GLU  28          2HG       GLU  28  10.741 -12.415  -0.583
  232   2HG   GLU  28          1HG       GLU  28  11.536 -10.985   0.059
  233    H    LYS  29           H        LYS  29   8.251 -11.330  -3.282
  234    HA   LYS  29           HA       LYS  29  10.005 -13.391  -4.567
  235   1HB   LYS  29          1HB       LYS  29   8.061 -14.904  -4.542
  236   2HB   LYS  29          2HB       LYS  29   8.475 -14.415  -2.925
  237   1HG   LYS  29          2HG       LYS  29   6.280 -12.982  -4.497
  238   2HG   LYS  29          1HG       LYS  29   5.951 -14.460  -3.638
  239   1HD   LYS  29          2HD       LYS  29   6.892 -11.850  -2.337
  240   2HD   LYS  29          1HD       LYS  29   5.292 -12.543  -2.305
  241   1HE   LYS  29          2HE       LYS  29   6.139 -14.553  -1.137
  242   2HE   LYS  29          1HE       LYS  29   7.735 -13.813  -1.055
  243   1HZ   LYS  29          1HZ       LYS  29   5.861 -11.962  -0.131
  244   2HZ   LYS  29          2HZ       LYS  29   7.119 -12.731   0.713
  245   3HZ   LYS  29          3HZ       LYS  29   5.579 -13.442   0.654
  Start of MODEL   35
    1   1H    LYS   1          1H        LYS   1  -5.612  12.310  -1.367
    2   2H    LYS   1          2H        LYS   1  -6.934  13.364  -1.493
    3   3H    LYS   1          3H        LYS   1  -6.042  12.950  -2.875
    4    HA   LYS   1           HA       LYS   1  -8.287  11.680  -1.803
    5   1HB   LYS   1          2HB       LYS   1  -6.405  11.084  -4.119
    6   2HB   LYS   1          1HB       LYS   1  -7.891  10.193  -3.886
    7   1HG   LYS   1          2HG       LYS   1  -9.195  12.300  -4.029
    8   2HG   LYS   1          1HG       LYS   1  -7.710  13.205  -4.273
    9   1HD   LYS   1          2HD       LYS   1  -7.238  11.996  -6.351
   10   2HD   LYS   1          1HD       LYS   1  -8.599  10.921  -6.086
   11   1HE   LYS   1          2HE       LYS   1  -8.867  13.937  -6.439
   12   2HE   LYS   1          1HE       LYS   1  -9.107  12.763  -7.727
   13   1HZ   LYS   1          1HZ       LYS   1 -10.926  13.600  -5.789
   14   2HZ   LYS   1          2HZ       LYS   1 -10.609  11.953  -5.514
   15   3HZ   LYS   1          3HZ       LYS   1 -11.157  12.469  -7.037
   16    HA   PRO   2           HA       PRO   2  -6.226   7.906  -0.373
   17   1HB   PRO   2          1HB       PRO   2  -8.228   6.182  -0.133
   18   2HB   PRO   2          2HB       PRO   2  -8.276   7.687   0.797
   19   1HG   PRO   2          2HG       PRO   2  -9.677   7.045  -1.853
   20   2HG   PRO   2          1HG       PRO   2 -10.355   7.827  -0.429
   21   1HD   PRO   2          1HD       PRO   2  -9.281   9.215  -2.668
   22   2HD   PRO   2          2HD       PRO   2  -9.517   9.942  -1.064
   23    H    PHE   3           H        PHE   3  -5.808   5.720  -0.988
   24    HA   PHE   3           HA       PHE   3  -6.041   5.089  -3.905
   25   1HB   PHE   3          1HB       PHE   3  -3.617   5.009  -2.057
   26   2HB   PHE   3          2HB       PHE   3  -3.657   4.051  -3.527
   27    HD1  PHE   3           HD1      PHE   3  -3.209   5.052  -5.618
   28    HD2  PHE   3           HD2      PHE   3  -3.986   7.562  -2.263
   29    HE1  PHE   3           HE1      PHE   3  -2.563   7.014  -6.938
   30    HE2  PHE   3           HE2      PHE   3  -3.341   9.527  -3.587
   31    HZ   PHE   3           HZ       PHE   3  -2.628   9.258  -5.925
   32    H    GLN   4           H        GLN   4  -5.771   2.704  -4.273
   33    HA   GLN   4           HA       GLN   4  -6.573   1.061  -1.904
   34   1HB   GLN   4          1HB       GLN   4  -8.552   1.766  -3.274
   35   2HB   GLN   4          2HB       GLN   4  -7.834   1.003  -4.668
   36   1HG   GLN   4          2HG       GLN   4  -9.490  -0.499  -3.830
   37   2HG   GLN   4          1HG       GLN   4  -7.934  -1.220  -3.470
   38   1HE2  GLN   4          2HE2      GLN   4  -7.799  -1.993  -1.392
   39   2HE2  GLN   4          1HE2      GLN   4  -8.654  -1.387  -0.056
   40    H    CYS   5           H        CYS   5  -5.946  -1.134  -1.932
   41    HA   CYS   5           HA       CYS   5  -3.765  -1.797  -3.863
   42   1HB   CYS   5          1HB       CYS   5  -3.238  -1.989  -1.486
   43   2HB   CYS   5          2HB       CYS   5  -4.620  -3.054  -1.248
   44    H    LYS   6           H        LYS   6  -3.959  -3.490  -5.235
   45    HA   LYS   6           HA       LYS   6  -6.604  -4.881  -5.407
   46   1HB   LYS   6          1HB       LYS   6  -4.492  -4.196  -7.482
   47   2HB   LYS   6          2HB       LYS   6  -5.747  -5.374  -7.814
   48   1HG   LYS   6          2HG       LYS   6  -7.477  -3.671  -7.227
   49   2HG   LYS   6          1HG       LYS   6  -6.207  -2.479  -7.017
   50   1HD   LYS   6          2HD       LYS   6  -5.545  -2.618  -9.345
   51   2HD   LYS   6          1HD       LYS   6  -6.514  -4.060  -9.606
   52   1HE   LYS   6          2HE       LYS   6  -7.668  -1.337  -8.870
   53   2HE   LYS   6          1HE       LYS   6  -7.618  -1.996 -10.499
   54   1HZ   LYS   6          1HZ       LYS   6  -8.715  -3.934  -8.818
   55   2HZ   LYS   6          2HZ       LYS   6  -9.465  -3.085 -10.082
   56   3HZ   LYS   6          3HZ       LYS   6  -9.504  -2.467  -8.500
   57    H    THR   7           H        THR   7  -4.783  -5.653  -3.545
   58    HA   THR   7           HA       THR   7  -4.128  -8.407  -4.447
   59    HB   THR   7           HB       THR   7  -2.271  -6.673  -2.713
   60    HG1  THR   7           HG1      THR   7  -1.617  -6.039  -4.603
   61   1HG2  THR   7          1HG2      THR   7  -1.917  -9.369  -4.160
   62   2HG2  THR   7          2HG2      THR   7  -2.080  -9.231  -2.420
   63   3HG2  THR   7          3HG2      THR   7  -0.678  -8.547  -3.234
   64    H    CYS   8           H        CYS   8  -4.771  -6.126  -1.782
   65    HA   CYS   8           HA       CYS   8  -5.829  -8.483  -0.235
   66   1HB   CYS   8          1HB       CYS   8  -5.166  -7.318   1.821
   67   2HB   CYS   8          2HB       CYS   8  -3.765  -7.616   0.789
   68    H    GLN   9           H        GLN   9  -5.951  -5.128  -0.857
   69    HA   GLN   9           HA       GLN   9  -7.806  -3.794  -1.482
   70   1HB   GLN   9          1HB       GLN   9  -9.543  -5.590   0.295
   71   2HB   GLN   9          2HB       GLN   9 -10.078  -4.216  -0.618
   72   1HG   GLN   9          2HG       GLN   9  -8.948  -6.744  -1.894
   73   2HG   GLN   9          1HG       GLN   9 -10.622  -6.230  -1.869
   74   1HE2  GLN   9          2HE2      GLN   9  -8.054  -6.330  -3.916
   75   2HE2  GLN   9          1HE2      GLN   9  -8.401  -4.974  -4.874
   76    H    ARG  10           H        ARG  10  -5.996  -3.024  -0.008
   77    HA   ARG  10           HA       ARG  10  -7.156  -1.895   2.525
   78   1HB   ARG  10          1HB       ARG  10  -5.094  -3.435   2.742
   79   2HB   ARG  10          2HB       ARG  10  -4.207  -2.252   1.788
   80   1HG   ARG  10          2HG       ARG  10  -4.805  -0.504   3.536
   81   2HG   ARG  10          1HG       ARG  10  -5.560  -1.777   4.476
   82   1HD   ARG  10          2HD       ARG  10  -3.379  -2.956   4.662
   83   2HD   ARG  10          1HD       ARG  10  -2.622  -1.721   3.674
   84    HE   ARG  10           HE       ARG  10  -3.862  -1.158   6.338
   85   1HH1  ARG  10          2HH2      ARG  10  -3.197   1.187   4.495
   86   2HH1  ARG  10          1HH2      ARG  10  -1.639   1.611   5.095
   87   1HH2  ARG  10          1HH1      ARG  10  -1.140  -1.392   6.781
   88   2HH2  ARG  10          2HH1      ARG  10  -0.439   0.139   6.377
   89    H    LYS  11           H        LYS  11  -6.581   0.398   2.832
   90    HA   LYS  11           HA       LYS  11  -6.081   1.677   0.187
   91   1HB   LYS  11          1HB       LYS  11  -7.649   2.727   2.602
   92   2HB   LYS  11          2HB       LYS  11  -7.251   3.736   1.229
   93   1HG   LYS  11          2HG       LYS  11  -8.525   2.171  -0.250
   94   2HG   LYS  11          1HG       LYS  11  -8.996   1.255   1.179
   95   1HD   LYS  11          2HD       LYS  11 -10.034   3.343   2.144
   96   2HD   LYS  11          1HD       LYS  11  -9.596   4.227   0.694
   97   1HE   LYS  11          2HE       LYS  11 -11.946   3.511   0.556
   98   2HE   LYS  11          1HE       LYS  11 -11.017   2.631  -0.648
   99   1HZ   LYS  11          1HZ       LYS  11 -10.931   1.223   1.772
  100   2HZ   LYS  11          2HZ       LYS  11 -11.591   0.756   0.286
  101   3HZ   LYS  11          3HZ       LYS  11 -12.551   1.594   1.423
  102    H    PHE  12           H        PHE  12  -5.189   3.776   0.270
  103    HA   PHE  12           HA       PHE  12  -3.242   4.390   2.430
  104   1HB   PHE  12          1HB       PHE  12  -2.551   4.060  -0.544
  105   2HB   PHE  12          2HB       PHE  12  -1.425   4.618   0.672
  106    HD1  PHE  12           HD1      PHE  12  -0.771   3.132   2.536
  107    HD2  PHE  12           HD2      PHE  12  -3.278   1.733  -0.610
  108    HE1  PHE  12           HE1      PHE  12  -0.449   0.790   3.292
  109    HE2  PHE  12           HE2      PHE  12  -2.942  -0.577   0.117
  110    HZ   PHE  12           HZ       PHE  12  -1.551  -1.037   2.081
  111    H    SER  13           H        SER  13  -1.994   6.472   1.474
  112    HA   SER  13           HA       SER  13  -4.144   8.481   0.962
  113   1HB   SER  13          2HB       SER  13  -2.544  10.093   2.033
  114   2HB   SER  13          1HB       SER  13  -2.930   8.760   3.105
  115    HG   SER  13           HG       SER  13  -0.557   9.431   2.094
  116    H    ARG  14           H        ARG  14  -0.968   7.394  -0.046
  117    HA   ARG  14           HA       ARG  14  -1.153   9.103  -2.500
  118   1HB   ARG  14          1HB       ARG  14   1.194   8.400  -0.751
  119   2HB   ARG  14          2HB       ARG  14   1.454   8.836  -2.425
  120   1HG   ARG  14          2HG       ARG  14   0.303  10.979  -2.065
  121   2HG   ARG  14          1HG       ARG  14  -0.029  10.538  -0.397
  122   1HD   ARG  14          2HD       ARG  14   2.261  10.675   0.226
  123   2HD   ARG  14          1HD       ARG  14   2.832  10.573  -1.427
  124    HE   ARG  14           HE       ARG  14   1.936  12.864  -1.781
  125   1HH1  ARG  14          2HH2      ARG  14   0.081  12.780   0.583
  126   2HH1  ARG  14          1HH2      ARG  14   0.875  13.836   1.701
  127   1HH2  ARG  14          1HH1      ARG  14   3.916  13.715  -0.048
  128   2HH2  ARG  14          2HH1      ARG  14   3.107  14.377   1.332
  129    H    SER  15           H        SER  15   0.530   8.237  -4.139
  130    HA   SER  15           HA       SER  15  -0.310   5.491  -4.854
  131   1HB   SER  15          2HB       SER  15   0.729   6.083  -7.088
  132   2HB   SER  15          1HB       SER  15  -0.444   7.279  -6.609
  133    HG   SER  15           HG       SER  15   1.830   7.988  -5.453
  134    H    ASP  16           H        ASP  16   2.549   7.384  -4.179
  135    HA   ASP  16           HA       ASP  16   4.491   5.293  -4.616
  136   1HB   ASP  16          1HB       ASP  16   5.918   6.877  -3.047
  137   2HB   ASP  16          2HB       ASP  16   5.417   7.518  -4.605
  138    H    HIS  17           H        HIS  17   2.444   6.419  -2.017
  139    HA   HIS  17           HA       HIS  17   3.604   4.787   0.040
  140   1HB   HIS  17          1HB       HIS  17   0.790   6.036  -0.275
  141   2HB   HIS  17          2HB       HIS  17   1.253   5.169   1.162
  142    HD1  HIS  17           HD1      HIS  17   0.763   7.971   1.827
  143    HD2  HIS  17           HD2      HIS  17   4.429   6.951   0.353
  144    HE1  HIS  17           HE1      HIS  17   2.300   9.741   2.511
  145    H    LEU  18           H        LEU  18   0.653   4.391  -1.954
  146    HA   LEU  18           HA       LEU  18  -0.056   1.794  -1.287
  147   1HB   LEU  18          1HB       LEU  18  -1.354   3.137  -2.874
  148   2HB   LEU  18          2HB       LEU  18  -0.060   3.091  -4.069
  149    HG   LEU  18           HG       LEU  18  -0.376   0.518  -4.083
  150   1HD1  LEU  18          1HD1      LEU  18  -2.889   1.230  -2.572
  151   2HD1  LEU  18          2HD1      LEU  18  -1.524   0.329  -1.914
  152   3HD1  LEU  18          3HD1      LEU  18  -2.469  -0.348  -3.215
  153   1HD2  LEU  18          1HD2      LEU  18  -1.326   1.983  -5.866
  154   2HD2  LEU  18          2HD2      LEU  18  -2.764   2.237  -4.880
  155   3HD2  LEU  18          3HD2      LEU  18  -2.400   0.639  -5.512
  156    H    LYS  19           H        LYS  19   2.218   2.665  -3.900
  157    HA   LYS  19           HA       LYS  19   3.091   0.161  -4.686
  158   1HB   LYS  19          1HB       LYS  19   3.791   2.292  -5.753
  159   2HB   LYS  19          2HB       LYS  19   4.719   2.734  -4.339
  160   1HG   LYS  19          2HG       LYS  19   6.239   0.812  -4.702
  161   2HG   LYS  19          1HG       LYS  19   5.287   0.293  -6.082
  162   1HD   LYS  19          2HD       LYS  19   5.803   2.452  -7.242
  163   2HD   LYS  19          1HD       LYS  19   6.743   2.971  -5.856
  164   1HE   LYS  19          2HE       LYS  19   7.350   0.526  -7.576
  165   2HE   LYS  19          1HE       LYS  19   8.213   2.057  -7.628
  166   1HZ   LYS  19          1HZ       LYS  19   8.140   1.205  -4.973
  167   2HZ   LYS  19          2HZ       LYS  19   9.483   1.363  -6.002
  168   3HZ   LYS  19          3HZ       LYS  19   8.640  -0.108  -5.923
  169    H    THR  20           H        THR  20   4.758   2.091  -2.159
  170    HA   THR  20           HA       THR  20   6.603   0.210  -1.304
  171    HB   THR  20           HB       THR  20   4.969   2.077   0.562
  172    HG1  THR  20           HG1      THR  20   5.851   3.192  -1.146
  173   1HG2  THR  20          1HG2      THR  20   7.900   1.123   0.650
  174   2HG2  THR  20          2HG2      THR  20   6.665   0.434   1.692
  175   3HG2  THR  20          3HG2      THR  20   7.108   2.122   1.850
  176    H    HIS  21           H        HIS  21   3.257   0.485  -0.375
  177    HA   HIS  21           HA       HIS  21   3.188  -1.753   1.415
  178   1HB   HIS  21          1HB       HIS  21   1.409  -0.198   1.664
  179   2HB   HIS  21          2HB       HIS  21   0.977  -0.223  -0.025
  180    HD1  HIS  21           HD1      HIS  21   0.817  -2.450   2.964
  181    HD2  HIS  21           HD2      HIS  21  -0.689  -2.314  -0.840
  182    HE1  HIS  21           HE1      HIS  21  -0.832  -4.276   2.804
  183    H    THR  22           H        THR  22   1.996  -1.662  -2.007
  184    HA   THR  22           HA       THR  22   1.053  -4.241  -2.213
  185    HB   THR  22           HB       THR  22   1.614  -3.913  -4.685
  186    HG1  THR  22           HG1      THR  22   3.412  -2.347  -3.596
  187   1HG2  THR  22          1HG2      THR  22   0.532  -1.410  -3.324
  188   2HG2  THR  22          2HG2      THR  22  -0.446  -2.808  -3.706
  189   3HG2  THR  22          3HG2      THR  22   0.270  -1.853  -4.996
  190    H    ARG  23           H        ARG  23   4.349  -3.062  -2.469
  191    HA   ARG  23           HA       ARG  23   5.450  -5.597  -3.219
  192   1HB   ARG  23          1HB       ARG  23   6.675  -3.082  -2.025
  193   2HB   ARG  23          2HB       ARG  23   7.657  -4.453  -2.524
  194   1HG   ARG  23          2HG       ARG  23   6.666  -4.317  -4.812
  195   2HG   ARG  23          1HG       ARG  23   5.725  -2.916  -4.324
  196   1HD   ARG  23          2HD       ARG  23   7.802  -1.646  -3.888
  197   2HD   ARG  23          1HD       ARG  23   8.773  -3.060  -4.309
  198    HE   ARG  23           HE       ARG  23   6.963  -1.638  -6.231
  199   1HH1  ARG  23          2HH2      ARG  23   8.564  -4.462  -6.271
  200   2HH1  ARG  23          1HH2      ARG  23   9.695  -4.063  -7.522
  201   1HH2  ARG  23          1HH1      ARG  23   8.914  -0.665  -7.468
  202   2HH2  ARG  23          2HH1      ARG  23   9.896  -1.884  -8.205
  203    H    THR  24           H        THR  24   3.797  -5.495  -0.622
  204    HA   THR  24           HA       THR  24   5.763  -6.846   1.133
  205    HB   THR  24           HB       THR  24   4.025  -6.494   3.006
  206    HG1  THR  24           HG1      THR  24   2.098  -6.188   2.318
  207   1HG2  THR  24          1HG2      THR  24   4.529  -3.887   1.474
  208   2HG2  THR  24          2HG2      THR  24   5.614  -4.592   2.643
  209   3HG2  THR  24          3HG2      THR  24   4.038  -4.016   3.159
  210    H    HIS  25           H        HIS  25   3.474  -7.261  -1.061
  211    HA   HIS  25           HA       HIS  25   2.444  -9.871  -0.153
  212   1HB   HIS  25          1HB       HIS  25   1.821  -8.073  -2.568
  213   2HB   HIS  25          2HB       HIS  25   1.014  -9.583  -2.272
  214    HD1  HIS  25           HD1      HIS  25   0.224  -9.246   0.646
  215    HD2  HIS  25           HD2      HIS  25  -0.066  -6.195  -2.050
  216    HE1  HIS  25           HE1      HIS  25  -1.463  -7.681   1.546
  217    H    THR  26           H        THR  26   4.123  -7.988  -2.327
  218    HA   THR  26           HA       THR  26   6.301  -8.191  -3.244
  219    HB   THR  26           HB       THR  26   6.905 -10.246  -4.543
  220    HG1  THR  26           HG1      THR  26   5.096 -11.947  -3.499
  221   1HG2  THR  26          1HG2      THR  26   6.201 -11.026  -1.652
  222   2HG2  THR  26          2HG2      THR  26   7.684 -10.265  -2.179
  223   3HG2  THR  26          3HG2      THR  26   7.296 -11.891  -2.705
  224    H    GLY  27           H        GLY  27   3.921  -7.192  -3.635
  225   1HA   GLY  27          1HA       GLY  27   3.073  -5.854  -5.475
  226   2HA   GLY  27          2HA       GLY  27   3.655  -7.097  -6.622
  227    H    GLU  28           H        GLU  28   2.931  -9.324  -5.745
  228    HA   GLU  28           HA       GLU  28  -0.010  -9.378  -5.210
  229   1HB   GLU  28          1HB       GLU  28   0.488  -9.814  -7.630
  230   2HB   GLU  28          2HB       GLU  28   1.529 -11.144  -7.161
  231   1HG   GLU  28          2HG       GLU  28  -0.462 -12.271  -6.068
  232   2HG   GLU  28          1HG       GLU  28  -1.471 -10.941  -6.594
  233    H    LYS  29           H        LYS  29  -0.730 -11.105  -3.996
  234    HA   LYS  29           HA       LYS  29   1.222 -13.045  -2.859
  235   1HB   LYS  29          1HB       LYS  29   1.226 -11.358  -1.205
  236   2HB   LYS  29          2HB       LYS  29  -0.494 -11.052  -1.333
  237   1HG   LYS  29          2HG       LYS  29  -1.025 -13.084  -0.163
  238   2HG   LYS  29          1HG       LYS  29   0.606 -13.710  -0.326
  239   1HD   LYS  29          2HD       LYS  29   0.050 -11.113   1.172
  240   2HD   LYS  29          1HD       LYS  29  -0.098 -12.661   1.975
  241   1HE   LYS  29          2HE       LYS  29   2.228 -13.208   1.523
  242   2HE   LYS  29          1HE       LYS  29   2.452 -11.804   0.503
  243   1HZ   LYS  29          1HZ       LYS  29   1.479 -10.983   3.010
  244   2HZ   LYS  29          2HZ       LYS  29   2.959 -10.617   2.267
  245   3HZ   LYS  29          3HZ       LYS  29   2.814 -12.009   3.235
  Start of MODEL   36
    1   1H    LYS   1          1H        LYS   1  -5.514  11.797  -1.157
    2   2H    LYS   1          2H        LYS   1  -6.647  13.015  -1.500
    3   3H    LYS   1          3H        LYS   1  -5.253  12.858  -2.455
    4    HA   LYS   1           HA       LYS   1  -7.744  11.698  -2.802
    5   1HB   LYS   1          2HB       LYS   1  -6.159  12.575  -4.566
    6   2HB   LYS   1          1HB       LYS   1  -5.106  11.216  -4.256
    7   1HG   LYS   1          2HG       LYS   1  -6.420  10.726  -6.226
    8   2HG   LYS   1          1HG       LYS   1  -6.952   9.650  -4.953
    9   1HD   LYS   1          2HD       LYS   1  -8.879  11.275  -4.490
   10   2HD   LYS   1          1HD       LYS   1  -8.332  12.230  -5.850
   11   1HE   LYS   1          2HE       LYS   1  -9.193   9.312  -6.002
   12   2HE   LYS   1          1HE       LYS   1 -10.195  10.680  -6.452
   13   1HZ   LYS   1          1HZ       LYS   1  -7.737  10.923  -7.758
   14   2HZ   LYS   1          2HZ       LYS   1  -9.273  10.670  -8.428
   15   3HZ   LYS   1          3HZ       LYS   1  -8.308   9.341  -7.993
   16    HA   PRO   2           HA       PRO   2  -6.716   7.675  -0.981
   17   1HB   PRO   2          1HB       PRO   2  -9.245   6.582  -2.009
   18   2HB   PRO   2          2HB       PRO   2  -8.782   6.941  -0.344
   19   1HG   PRO   2          2HG       PRO   2 -10.662   8.450  -1.643
   20   2HG   PRO   2          1HG       PRO   2  -9.554   9.189  -0.486
   21   1HD   PRO   2          1HD       PRO   2  -9.220   9.055  -3.536
   22   2HD   PRO   2          2HD       PRO   2  -9.189  10.482  -2.464
   23    H    PHE   3           H        PHE   3  -5.990   5.758  -1.514
   24    HA   PHE   3           HA       PHE   3  -5.900   4.835  -4.363
   25   1HB   PHE   3          1HB       PHE   3  -3.652   4.996  -2.309
   26   2HB   PHE   3          2HB       PHE   3  -3.514   4.050  -3.779
   27    HD1  PHE   3           HD1      PHE   3  -3.056   5.086  -5.870
   28    HD2  PHE   3           HD2      PHE   3  -3.935   7.508  -2.476
   29    HE1  PHE   3           HE1      PHE   3  -2.327   7.073  -7.103
   30    HE2  PHE   3           HE2      PHE   3  -3.210   9.503  -3.719
   31    HZ   PHE   3           HZ       PHE   3  -2.411   9.287  -6.032
   32    H    GLN   4           H        GLN   4  -5.629   2.453  -4.502
   33    HA   GLN   4           HA       GLN   4  -6.129   1.006  -1.952
   34   1HB   GLN   4          1HB       GLN   4  -8.378   1.376  -2.864
   35   2HB   GLN   4          2HB       GLN   4  -7.888   0.784  -4.441
   36   1HG   GLN   4          2HG       GLN   4  -7.553  -1.493  -3.540
   37   2HG   GLN   4          1HG       GLN   4  -7.853  -0.941  -1.902
   38   1HE2  GLN   4          2HE2      GLN   4  -9.764  -1.972  -1.359
   39   2HE2  GLN   4          1HE2      GLN   4 -11.190  -1.902  -2.276
   40    H    CYS   5           H        CYS   5  -5.714  -1.155  -1.953
   41    HA   CYS   5           HA       CYS   5  -3.727  -2.116  -3.957
   42   1HB   CYS   5          1HB       CYS   5  -2.890  -2.082  -1.701
   43   2HB   CYS   5          2HB       CYS   5  -4.334  -2.889  -1.093
   44    H    LYS   6           H        LYS   6  -4.532  -3.592  -5.361
   45    HA   LYS   6           HA       LYS   6  -7.116  -4.914  -4.741
   46   1HB   LYS   6          1HB       LYS   6  -5.577  -4.337  -7.301
   47   2HB   LYS   6          2HB       LYS   6  -6.839  -5.550  -7.306
   48   1HG   LYS   6          2HG       LYS   6  -7.305  -2.696  -6.351
   49   2HG   LYS   6          1HG       LYS   6  -7.604  -3.225  -7.997
   50   1HD   LYS   6          2HD       LYS   6  -9.144  -5.037  -7.064
   51   2HD   LYS   6          1HD       LYS   6  -8.952  -4.315  -5.477
   52   1HE   LYS   6          2HE       LYS   6  -9.907  -2.198  -6.284
   53   2HE   LYS   6          1HE       LYS   6 -10.070  -2.876  -7.900
   54   1HZ   LYS   6          1HZ       LYS   6 -11.234  -4.649  -6.089
   55   2HZ   LYS   6          2HZ       LYS   6 -11.981  -3.744  -7.314
   56   3HZ   LYS   6          3HZ       LYS   6 -11.828  -3.094  -5.752
   57    H    THR   7           H        THR   7  -5.124  -5.718  -3.296
   58    HA   THR   7           HA       THR   7  -4.583  -8.487  -4.231
   59    HB   THR   7           HB       THR   7  -2.675  -6.833  -2.469
   60    HG1  THR   7           HG1      THR   7  -1.715  -7.456  -4.861
   61   1HG2  THR   7          1HG2      THR   7  -2.340  -9.430  -4.076
   62   2HG2  THR   7          2HG2      THR   7  -2.540  -9.389  -2.332
   63   3HG2  THR   7          3HG2      THR   7  -1.115  -8.688  -3.076
   64    H    CYS   8           H        CYS   8  -4.947  -6.177  -1.562
   65    HA   CYS   8           HA       CYS   8  -6.133  -8.394   0.083
   66   1HB   CYS   8          1HB       CYS   8  -5.227  -7.324   2.065
   67   2HB   CYS   8          2HB       CYS   8  -3.934  -7.675   0.918
   68    H    GLN   9           H        GLN   9  -6.425  -5.190  -1.062
   69    HA   GLN   9           HA       GLN   9  -8.300  -3.827  -1.319
   70   1HB   GLN   9          1HB       GLN   9  -9.813  -5.540   0.747
   71   2HB   GLN   9          2HB       GLN   9 -10.478  -4.391  -0.378
   72   1HG   GLN   9          2HG       GLN   9  -9.209  -7.051  -1.123
   73   2HG   GLN   9          1HG       GLN   9 -10.898  -6.622  -1.248
   74   1HE2  GLN   9          2HE2      GLN   9  -8.197  -7.005  -3.082
   75   2HE2  GLN   9          1HE2      GLN   9  -8.569  -5.960  -4.366
   76    H    ARG  10           H        ARG  10  -6.294  -3.093   0.003
   77    HA   ARG  10           HA       ARG  10  -7.200  -1.821   2.571
   78   1HB   ARG  10          1HB       ARG  10  -5.216  -3.429   2.660
   79   2HB   ARG  10          2HB       ARG  10  -4.371  -2.328   1.562
   80   1HG   ARG  10          2HG       ARG  10  -4.420  -0.540   3.235
   81   2HG   ARG  10          1HG       ARG  10  -5.426  -1.508   4.300
   82   1HD   ARG  10          2HD       ARG  10  -2.717  -2.466   3.339
   83   2HD   ARG  10          1HD       ARG  10  -2.856  -1.550   4.814
   84    HE   ARG  10           HE       ARG  10  -4.225  -4.190   4.374
   85   1HH1  ARG  10          2HH2      ARG  10  -5.031  -2.488   6.716
   86   2HH1  ARG  10          1HH2      ARG  10  -4.045  -3.144   7.981
   87   1HH2  ARG  10          1HH1      ARG  10  -1.894  -4.764   5.744
   88   2HH2  ARG  10          2HH1      ARG  10  -2.224  -4.464   7.419
   89    H    LYS  11           H        LYS  11  -6.578   0.457   2.742
   90    HA   LYS  11           HA       LYS  11  -6.137   1.652   0.039
   91   1HB   LYS  11          1HB       LYS  11  -7.572   3.562   0.716
   92   2HB   LYS  11          2HB       LYS  11  -8.455   2.065   0.774
   93   1HG   LYS  11          2HG       LYS  11  -7.188   3.200   3.285
   94   2HG   LYS  11          1HG       LYS  11  -8.740   3.773   2.722
   95   1HD   LYS  11          2HD       LYS  11  -9.579   1.373   2.773
   96   2HD   LYS  11          1HD       LYS  11  -8.064   0.897   3.522
   97   1HE   LYS  11          2HE       LYS  11  -8.464   2.450   5.399
   98   2HE   LYS  11          1HE       LYS  11  -9.985   2.946   4.670
   99   1HZ   LYS  11          1HZ       LYS  11  -9.933   0.155   4.792
  100   2HZ   LYS  11          2HZ       LYS  11 -10.962   1.235   5.604
  101   3HZ   LYS  11          3HZ       LYS  11  -9.494   0.762   6.317
  102    H    PHE  12           H        PHE  12  -5.280   3.732   0.010
  103    HA   PHE  12           HA       PHE  12  -3.475   4.504   2.248
  104   1HB   PHE  12          1HB       PHE  12  -2.606   4.138  -0.676
  105   2HB   PHE  12          2HB       PHE  12  -1.562   4.619   0.645
  106    HD1  PHE  12           HD1      PHE  12  -1.165   3.039   2.552
  107    HD2  PHE  12           HD2      PHE  12  -3.355   1.825  -0.892
  108    HE1  PHE  12           HE1      PHE  12  -0.982   0.681   3.253
  109    HE2  PHE  12           HE2      PHE  12  -3.160  -0.529  -0.189
  110    HZ   PHE  12           HZ       PHE  12  -1.993  -1.079   1.872
  111    H    SER  13           H        SER  13  -2.294   6.562   1.511
  112    HA   SER  13           HA       SER  13  -4.366   8.542   0.686
  113   1HB   SER  13          2HB       SER  13  -2.875  10.162   1.951
  114   2HB   SER  13          1HB       SER  13  -3.478   8.863   2.963
  115    HG   SER  13           HG       SER  13  -1.490   8.257   3.218
  116    H    ARG  14           H        ARG  14  -1.167   7.366   0.010
  117    HA   ARG  14           HA       ARG  14  -1.001   9.183  -2.370
  118   1HB   ARG  14          1HB       ARG  14   1.247   8.174  -0.593
  119   2HB   ARG  14          2HB       ARG  14   1.467   9.100  -2.074
  120   1HG   ARG  14          2HG       ARG  14   0.298  11.009  -1.154
  121   2HG   ARG  14          1HG       ARG  14  -0.126  10.118   0.298
  122   1HD   ARG  14          2HD       ARG  14   2.199   9.929   0.950
  123   2HD   ARG  14          1HD       ARG  14   2.761  10.629  -0.540
  124    HE   ARG  14           HE       ARG  14   1.661  12.759   0.178
  125   1HH1  ARG  14          2HH2      ARG  14   3.679  11.474   2.251
  126   2HH1  ARG  14          1HH2      ARG  14   2.887  11.937   3.722
  127   1HH2  ARG  14          1HH1      ARG  14  -0.078  12.825   2.102
  128   2HH2  ARG  14          2HH1      ARG  14   0.720  12.716   3.637
  129    H    SER  15           H        SER  15   0.753   8.308  -3.878
  130    HA   SER  15           HA       SER  15  -0.037   5.554  -4.639
  131   1HB   SER  15          2HB       SER  15   0.963   6.158  -6.861
  132   2HB   SER  15          1HB       SER  15  -0.174   7.384  -6.355
  133    HG   SER  15           HG       SER  15   2.199   7.936  -5.251
  134    H    ASP  16           H        ASP  16   2.794   7.480  -3.721
  135    HA   ASP  16           HA       ASP  16   4.752   5.435  -4.267
  136   1HB   ASP  16          1HB       ASP  16   6.283   6.812  -2.951
  137   2HB   ASP  16          2HB       ASP  16   5.228   7.954  -3.780
  138    H    HIS  17           H        HIS  17   2.583   6.299  -1.683
  139    HA   HIS  17           HA       HIS  17   3.523   4.492   0.300
  140   1HB   HIS  17          1HB       HIS  17   0.760   5.733  -0.214
  141   2HB   HIS  17          2HB       HIS  17   1.046   4.677   1.159
  142    HD1  HIS  17           HD1      HIS  17   0.427   7.186   2.280
  143    HD2  HIS  17           HD2      HIS  17   4.189   6.752   0.768
  144    HE1  HIS  17           HE1      HIS  17   1.793   8.933   3.308
  145    H    LEU  18           H        LEU  18   0.641   4.201  -1.816
  146    HA   LEU  18           HA       LEU  18   0.022   1.554  -1.493
  147   1HB   LEU  18          1HB       LEU  18  -1.213   3.117  -3.010
  148   2HB   LEU  18          2HB       LEU  18   0.108   3.021  -4.170
  149    HG   LEU  18           HG       LEU  18  -0.312   0.478  -4.255
  150   1HD1  LEU  18          1HD1      LEU  18  -2.828   1.158  -2.767
  151   2HD1  LEU  18          2HD1      LEU  18  -1.487   0.207  -2.135
  152   3HD1  LEU  18          3HD1      LEU  18  -2.423  -0.387  -3.490
  153   1HD2  LEU  18          1HD2      LEU  18  -1.183   2.037  -6.015
  154   2HD2  LEU  18          2HD2      LEU  18  -2.636   2.290  -5.060
  155   3HD2  LEU  18          3HD2      LEU  18  -2.295   0.708  -5.736
  156    H    LYS  19           H        LYS  19   2.450   2.692  -3.875
  157    HA   LYS  19           HA       LYS  19   3.276   0.221  -4.879
  158   1HB   LYS  19          1HB       LYS  19   4.008   2.456  -5.750
  159   2HB   LYS  19          2HB       LYS  19   4.934   2.730  -4.293
  160   1HG   LYS  19          2HG       LYS  19   6.297   0.607  -4.948
  161   2HG   LYS  19          1HG       LYS  19   5.449   0.654  -6.475
  162   1HD   LYS  19          2HD       LYS  19   7.575   1.779  -6.783
  163   2HD   LYS  19          1HD       LYS  19   6.329   3.010  -6.828
  164   1HE   LYS  19          2HE       LYS  19   6.808   3.603  -4.455
  165   2HE   LYS  19          1HE       LYS  19   7.996   2.311  -4.364
  166   1HZ   LYS  19          1HZ       LYS  19   8.587   3.922  -6.575
  167   2HZ   LYS  19          2HZ       LYS  19   9.492   3.683  -5.158
  168   3HZ   LYS  19          3HZ       LYS  19   8.337   4.928  -5.232
  169    H    THR  20           H        THR  20   4.611   1.863  -2.066
  170    HA   THR  20           HA       THR  20   6.546  -0.136  -1.393
  171    HB   THR  20           HB       THR  20   5.166   1.958   0.399
  172    HG1  THR  20           HG1      THR  20   6.097   2.924  -1.283
  173   1HG2  THR  20          1HG2      THR  20   7.946   0.643   0.551
  174   2HG2  THR  20          2HG2      THR  20   6.631   0.206   1.628
  175   3HG2  THR  20          3HG2      THR  20   7.303   1.826   1.677
  176    H    HIS  21           H        HIS  21   3.206   0.382  -0.532
  177    HA   HIS  21           HA       HIS  21   2.953  -1.648   1.480
  178   1HB   HIS  21          1HB       HIS  21   1.144  -0.027   1.282
  179   2HB   HIS  21          2HB       HIS  21   0.886  -0.388  -0.408
  180    HD1  HIS  21           HD1      HIS  21   0.471  -2.007   2.932
  181    HD2  HIS  21           HD2      HIS  21  -0.646  -2.648  -0.952
  182    HE1  HIS  21           HE1      HIS  21  -1.127  -3.887   2.969
  183    H    THR  22           H        THR  22   2.124  -1.726  -1.986
  184    HA   THR  22           HA       THR  22   1.486  -4.446  -2.165
  185    HB   THR  22           HB       THR  22   1.955  -3.925  -4.688
  186    HG1  THR  22           HG1      THR  22   2.407  -1.394  -3.622
  187   1HG2  THR  22          1HG2      THR  22   0.310  -1.815  -3.185
  188   2HG2  THR  22          2HG2      THR  22  -0.317  -3.390  -3.636
  189   3HG2  THR  22          3HG2      THR  22   0.146  -2.244  -4.878
  190    H    ARG  23           H        ARG  23   4.386  -3.012  -1.484
  191    HA   ARG  23           HA       ARG  23   6.144  -5.040  -2.744
  192   1HB   ARG  23          1HB       ARG  23   6.555  -2.348  -2.272
  193   2HB   ARG  23          2HB       ARG  23   7.147  -2.977  -0.754
  194   1HG   ARG  23          2HG       ARG  23   9.090  -3.007  -1.955
  195   2HG   ARG  23          1HG       ARG  23   8.527  -4.629  -2.250
  196   1HD   ARG  23          2HD       ARG  23   8.513  -2.210  -4.096
  197   2HD   ARG  23          1HD       ARG  23   9.093  -3.825  -4.454
  198    HE   ARG  23           HE       ARG  23   6.214  -3.033  -4.312
  199   1HH1  ARG  23          1HH1      ARG  23   8.536  -4.137  -6.416
  200   2HH1  ARG  23          2HH1      ARG  23   7.626  -5.482  -7.021
  201   1HH2  ARG  23          2HH2      ARG  23   5.120  -5.162  -4.612
  202   2HH2  ARG  23          1HH2      ARG  23   5.664  -6.069  -5.982
  203    H    THR  24           H        THR  24   4.102  -5.682  -0.912
  204    HA   THR  24           HA       THR  24   5.543  -6.971   1.345
  205    HB   THR  24           HB       THR  24   2.676  -5.826   1.347
  206    HG1  THR  24           HG1      THR  24   5.119  -4.764   1.747
  207   1HG2  THR  24          1HG2      THR  24   4.389  -6.877   3.646
  208   2HG2  THR  24          2HG2      THR  24   3.049  -7.771   2.942
  209   3HG2  THR  24          3HG2      THR  24   2.751  -6.250   3.762
  210    H    HIS  25           H        HIS  25   3.269  -7.008  -1.235
  211    HA   HIS  25           HA       HIS  25   2.462  -9.817  -0.749
  212   1HB   HIS  25          1HB       HIS  25   1.531  -7.870  -2.881
  213   2HB   HIS  25          2HB       HIS  25   0.858  -9.456  -2.566
  214    HD1  HIS  25           HD1      HIS  25   0.338  -9.343   0.401
  215    HD2  HIS  25           HD2      HIS  25  -0.301  -6.108  -2.005
  216    HE1  HIS  25           HE1      HIS  25  -1.295  -7.908   1.585
  217    H    THR  26           H        THR  26   3.882  -7.842  -3.376
  218    HA   THR  26           HA       THR  26   5.080 -10.349  -4.496
  219    HB   THR  26           HB       THR  26   4.051  -7.902  -6.082
  220    HG1  THR  26           HG1      THR  26   2.868 -10.313  -6.447
  221   1HG2  THR  26          1HG2      THR  26   4.863 -10.741  -6.973
  222   2HG2  THR  26          2HG2      THR  26   5.895  -9.341  -7.215
  223   3HG2  THR  26          3HG2      THR  26   4.345  -9.437  -8.028
  224    H    GLY  27           H        GLY  27   6.319  -9.304  -2.645
  225   1HA   GLY  27          1HA       GLY  27   7.944  -7.519  -2.031
  226   2HA   GLY  27          2HA       GLY  27   8.727  -8.997  -2.535
  227    H    GLU  28           H        GLU  28   9.162  -9.064  -4.996
  228    HA   GLU  28           HA       GLU  28  10.034  -6.355  -5.929
  229   1HB   GLU  28          1HB       GLU  28  11.955  -7.713  -5.042
  230   2HB   GLU  28          2HB       GLU  28  11.579  -8.971  -6.200
  231   1HG   GLU  28          2HG       GLU  28  13.437  -7.472  -6.972
  232   2HG   GLU  28          1HG       GLU  28  12.091  -7.490  -8.087
  233    H    LYS  29           H        LYS  29   9.933  -5.954  -8.049
  234    HA   LYS  29           HA       LYS  29   8.645  -7.962  -9.848
  235   1HB   LYS  29          1HB       LYS  29   6.965  -6.306  -9.083
  236   2HB   LYS  29          2HB       LYS  29   8.007  -4.982  -9.576
  237   1HG   LYS  29          2HG       LYS  29   7.843  -5.693 -11.940
  238   2HG   LYS  29          1HG       LYS  29   6.924  -7.116 -11.478
  239   1HD   LYS  29          2HD       LYS  29   5.101  -5.657 -10.623
  240   2HD   LYS  29          1HD       LYS  29   6.038  -4.229 -11.024
  241   1HE   LYS  29          2HE       LYS  29   4.356  -4.719 -12.792
  242   2HE   LYS  29          1HE       LYS  29   5.983  -4.864 -13.438
  243   1HZ   LYS  29          1HZ       LYS  29   5.218  -7.345 -12.386
  244   2HZ   LYS  29          2HZ       LYS  29   5.551  -6.930 -13.996
  245   3HZ   LYS  29          3HZ       LYS  29   3.970  -6.784 -13.391
  Start of MODEL   37
    1   1H    LYS   1          1H        LYS   1  -5.428  11.766  -1.962
    2   2H    LYS   1          2H        LYS   1  -6.639  12.916  -1.664
    3   3H    LYS   1          3H        LYS   1  -5.821  12.916  -3.147
    4    HA   LYS   1           HA       LYS   1  -8.165  11.570  -2.453
    5   1HB   LYS   1          2HB       LYS   1  -8.182  11.141  -4.897
    6   2HB   LYS   1          1HB       LYS   1  -7.567  12.751  -4.600
    7   1HG   LYS   1          2HG       LYS   1  -5.190  11.684  -4.668
    8   2HG   LYS   1          1HG       LYS   1  -5.982  10.260  -5.315
    9   1HD   LYS   1          2HD       LYS   1  -6.936  11.708  -7.176
   10   2HD   LYS   1          1HD       LYS   1  -5.997  13.050  -6.546
   11   1HE   LYS   1          2HE       LYS   1  -4.689  12.026  -8.333
   12   2HE   LYS   1          1HE       LYS   1  -3.912  11.601  -6.817
   13   1HZ   LYS   1          1HZ       LYS   1  -5.872   9.683  -7.378
   14   2HZ   LYS   1          2HZ       LYS   1  -4.190   9.484  -7.296
   15   3HZ   LYS   1          3HZ       LYS   1  -4.922   9.900  -8.768
   16    HA   PRO   2           HA       PRO   2  -6.748   7.612  -1.379
   17   1HB   PRO   2          1HB       PRO   2  -8.869   6.070  -1.682
   18   2HB   PRO   2          2HB       PRO   2  -8.996   7.556  -0.733
   19   1HG   PRO   2          2HG       PRO   2  -9.752   7.134  -3.675
   20   2HG   PRO   2          1HG       PRO   2 -10.739   7.843  -2.394
   21   1HD   PRO   2          1HD       PRO   2  -9.192   9.391  -4.144
   22   2HD   PRO   2          2HD       PRO   2  -9.604   9.920  -2.498
   23    H    PHE   3           H        PHE   3  -5.946   5.770  -1.822
   24    HA   PHE   3           HA       PHE   3  -5.740   4.736  -4.618
   25   1HB   PHE   3          1HB       PHE   3  -3.583   5.181  -2.498
   26   2HB   PHE   3          2HB       PHE   3  -3.333   4.101  -3.857
   27    HD1  PHE   3           HD1      PHE   3  -2.847   4.951  -6.021
   28    HD2  PHE   3           HD2      PHE   3  -4.014   7.658  -2.941
   29    HE1  PHE   3           HE1      PHE   3  -2.195   6.836  -7.433
   30    HE2  PHE   3           HE2      PHE   3  -3.366   9.554  -4.373
   31    HZ   PHE   3           HZ       PHE   3  -2.458   9.142  -6.616
   32    H    GLN   4           H        GLN   4  -5.765   2.404  -4.666
   33    HA   GLN   4           HA       GLN   4  -6.108   1.072  -2.005
   34   1HB   GLN   4          1HB       GLN   4  -8.364   1.456  -3.039
   35   2HB   GLN   4          2HB       GLN   4  -7.854   0.564  -4.461
   36   1HG   GLN   4          2HG       GLN   4  -7.487  -1.481  -3.058
   37   2HG   GLN   4          1HG       GLN   4  -8.049  -0.593  -1.649
   38   1HE2  GLN   4          2HE2      GLN   4 -10.222  -1.009  -1.225
   39   2HE2  GLN   4          1HE2      GLN   4 -11.387  -1.384  -2.400
   40    H    CYS   5           H        CYS   5  -5.525  -1.012  -1.869
   41    HA   CYS   5           HA       CYS   5  -3.621  -2.053  -3.910
   42   1HB   CYS   5          1HB       CYS   5  -2.723  -1.920  -1.657
   43   2HB   CYS   5          2HB       CYS   5  -4.136  -2.723  -0.994
   44    H    LYS   6           H        LYS   6  -5.013  -3.046  -5.335
   45    HA   LYS   6           HA       LYS   6  -7.408  -4.453  -4.334
   46   1HB   LYS   6          1HB       LYS   6  -6.354  -4.196  -7.187
   47   2HB   LYS   6          2HB       LYS   6  -7.975  -4.673  -6.710
   48   1HG   LYS   6          2HG       LYS   6  -8.297  -2.414  -5.638
   49   2HG   LYS   6          1HG       LYS   6  -6.705  -1.932  -6.206
   50   1HD   LYS   6          2HD       LYS   6  -7.551  -2.516  -8.582
   51   2HD   LYS   6          1HD       LYS   6  -9.154  -2.605  -7.881
   52   1HE   LYS   6          2HE       LYS   6  -7.329  -0.155  -7.851
   53   2HE   LYS   6          1HE       LYS   6  -8.747  -0.375  -8.859
   54   1HZ   LYS   6          1HZ       LYS   6  -9.501  -0.752  -6.178
   55   2HZ   LYS   6          2HZ       LYS   6  -9.970   0.464  -7.270
   56   3HZ   LYS   6          3HZ       LYS   6  -8.597   0.671  -6.300
   57    H    THR   7           H        THR   7  -4.959  -5.356  -3.422
   58    HA   THR   7           HA       THR   7  -4.648  -8.024  -4.672
   59    HB   THR   7           HB       THR   7  -2.579  -6.509  -2.936
   60    HG1  THR   7           HG1      THR   7  -2.156  -5.532  -4.738
   61   1HG2  THR   7          1HG2      THR   7  -2.314  -8.846  -4.902
   62   2HG2  THR   7          2HG2      THR   7  -2.332  -9.061  -3.159
   63   3HG2  THR   7          3HG2      THR   7  -1.027  -8.167  -3.922
   64    H    CYS   8           H        CYS   8  -4.843  -6.045  -1.727
   65    HA   CYS   8           HA       CYS   8  -5.871  -8.460  -0.255
   66   1HB   CYS   8          1HB       CYS   8  -4.813  -7.667   1.759
   67   2HB   CYS   8          2HB       CYS   8  -3.595  -7.778   0.487
   68    H    GLN   9           H        GLN   9  -6.191  -5.156  -0.999
   69    HA   GLN   9           HA       GLN   9  -8.023  -3.764  -1.039
   70   1HB   GLN   9          1HB       GLN   9  -9.421  -5.843   0.772
   71   2HB   GLN   9          2HB       GLN   9 -10.117  -4.331   0.293
   72   1HG   GLN   9          2HG       GLN   9 -10.899  -6.043  -1.257
   73   2HG   GLN   9          1HG       GLN   9  -9.888  -4.885  -2.102
   74   1HE2  GLN   9          2HE2      GLN   9  -8.207  -5.728  -3.305
   75   2HE2  GLN   9          1HE2      GLN   9  -7.623  -7.316  -3.195
   76    H    ARG  10           H        ARG  10  -6.052  -2.992   0.110
   77    HA   ARG  10           HA       ARG  10  -6.781  -1.813   2.780
   78   1HB   ARG  10          1HB       ARG  10  -4.747  -3.364   2.788
   79   2HB   ARG  10          2HB       ARG  10  -3.980  -2.287   1.627
   80   1HG   ARG  10          2HG       ARG  10  -3.972  -0.453   3.233
   81   2HG   ARG  10          1HG       ARG  10  -5.004  -1.344   4.338
   82   1HD   ARG  10          2HD       ARG  10  -3.211  -3.046   4.651
   83   2HD   ARG  10          1HD       ARG  10  -2.176  -2.158   3.537
   84    HE   ARG  10           HE       ARG  10  -3.197  -0.912   6.059
   85   1HH1  ARG  10          1HH1      ARG  10  -0.586  -2.652   5.644
   86   2HH1  ARG  10          2HH1      ARG  10   0.595  -1.387   5.690
   87   1HH2  ARG  10          2HH2      ARG  10  -1.798   1.147   5.336
   88   2HH2  ARG  10          1HH2      ARG  10  -0.109   0.812   5.516
   89    H    LYS  11           H        LYS  11  -6.316   0.493   2.881
   90    HA   LYS  11           HA       LYS  11  -6.022   1.690   0.147
   91   1HB   LYS  11          1HB       LYS  11  -7.629   3.327   0.653
   92   2HB   LYS  11          2HB       LYS  11  -8.315   1.859   1.293
   93   1HG   LYS  11          2HG       LYS  11  -6.948   4.071   2.891
   94   2HG   LYS  11          1HG       LYS  11  -8.652   3.710   2.869
   95   1HD   LYS  11          2HD       LYS  11  -6.498   1.894   4.029
   96   2HD   LYS  11          1HD       LYS  11  -7.609   2.886   4.931
   97   1HE   LYS  11          2HE       LYS  11  -9.535   1.598   3.999
   98   2HE   LYS  11          1HE       LYS  11  -8.412   0.546   3.150
   99   1HZ   LYS  11          1HZ       LYS  11  -7.622   0.736   5.833
  100   2HZ   LYS  11          2HZ       LYS  11  -8.159  -0.628   4.978
  101   3HZ   LYS  11          3HZ       LYS  11  -9.277   0.367   5.778
  102    H    PHE  12           H        PHE  12  -5.234   3.763   0.002
  103    HA   PHE  12           HA       PHE  12  -3.407   4.748   2.112
  104   1HB   PHE  12          1HB       PHE  12  -2.606   4.175  -0.803
  105   2HB   PHE  12          2HB       PHE  12  -1.565   4.864   0.427
  106    HD1  PHE  12           HD1      PHE  12  -0.887   3.516   2.402
  107    HD2  PHE  12           HD2      PHE  12  -3.172   1.772  -0.750
  108    HE1  PHE  12           HE1      PHE  12  -0.394   1.283   3.270
  109    HE2  PHE  12           HE2      PHE  12  -2.679  -0.475   0.131
  110    HZ   PHE  12           HZ       PHE  12  -1.293  -0.702   2.151
  111    H    SER  13           H        SER  13  -2.471   6.887   1.226
  112    HA   SER  13           HA       SER  13  -4.726   8.469   0.057
  113   1HB   SER  13          2HB       SER  13  -3.758  10.380   1.368
  114   2HB   SER  13          1HB       SER  13  -4.149   9.023   2.412
  115    HG   SER  13           HG       SER  13  -2.112   8.948   2.889
  116    H    ARG  14           H        ARG  14  -1.481   7.483  -0.311
  117    HA   ARG  14           HA       ARG  14  -1.158   9.285  -2.684
  118   1HB   ARG  14          1HB       ARG  14   1.188   8.241  -1.070
  119   2HB   ARG  14          2HB       ARG  14   1.134   9.555  -2.239
  120   1HG   ARG  14          2HG       ARG  14  -0.314  10.847  -0.636
  121   2HG   ARG  14          1HG       ARG  14  -0.053   9.590   0.558
  122   1HD   ARG  14          2HD       ARG  14   1.812  10.854   1.132
  123   2HD   ARG  14          1HD       ARG  14   2.546  10.058  -0.239
  124    HE   ARG  14           HE       ARG  14   1.210  12.732  -0.428
  125   1HH1  ARG  14          2HH2      ARG  14   1.671  11.338  -2.992
  126   2HH1  ARG  14          1HH2      ARG  14   3.228  11.921  -3.476
  127   1HH2  ARG  14          1HH1      ARG  14   3.997  13.094  -0.262
  128   2HH2  ARG  14          2HH1      ARG  14   4.582  12.950  -1.887
  129    H    SER  15           H        SER  15   0.727   8.364  -4.008
  130    HA   SER  15           HA       SER  15   0.015   5.577  -4.737
  131   1HB   SER  15          2HB       SER  15   1.125   6.168  -6.906
  132   2HB   SER  15          1HB       SER  15  -0.029   7.402  -6.456
  133    HG   SER  15           HG       SER  15   1.551   8.758  -6.270
  134    H    ASP  16           H        ASP  16   2.578   7.540  -3.475
  135    HA   ASP  16           HA       ASP  16   4.659   5.481  -3.731
  136   1HB   ASP  16          1HB       ASP  16   6.082   7.163  -2.533
  137   2HB   ASP  16          2HB       ASP  16   5.253   7.855  -3.927
  138    H    HIS  17           H        HIS  17   2.077   5.434  -2.099
  139    HA   HIS  17           HA       HIS  17   3.193   4.450   0.473
  140   1HB   HIS  17          1HB       HIS  17   0.439   5.612  -0.258
  141   2HB   HIS  17          2HB       HIS  17   0.715   4.739   1.236
  142    HD1  HIS  17           HD1      HIS  17  -0.070   7.239   2.060
  143    HD2  HIS  17           HD2      HIS  17   3.766   6.996   0.685
  144    HE1  HIS  17           HE1      HIS  17   1.108   9.200   2.939
  145    H    LEU  18           H        LEU  18   0.469   4.204  -1.774
  146    HA   LEU  18           HA       LEU  18  -0.321   1.601  -1.456
  147   1HB   LEU  18          1HB       LEU  18  -1.420   3.184  -3.026
  148   2HB   LEU  18          2HB       LEU  18  -0.029   3.086  -4.100
  149    HG   LEU  18           HG       LEU  18  -0.454   0.575  -4.290
  150   1HD1  LEU  18          1HD1      LEU  18  -3.015   1.187  -2.847
  151   2HD1  LEU  18          2HD1      LEU  18  -1.701   0.180  -2.246
  152   3HD1  LEU  18          3HD1      LEU  18  -2.596  -0.304  -3.673
  153   1HD2  LEU  18          1HD2      LEU  18  -1.239   2.142  -6.048
  154   2HD2  LEU  18          2HD2      LEU  18  -2.732   2.410  -5.160
  155   3HD2  LEU  18          3HD2      LEU  18  -2.385   0.828  -5.832
  156    H    LYS  19           H        LYS  19   2.261   2.621  -3.757
  157    HA   LYS  19           HA       LYS  19   2.924   0.001  -4.604
  158   1HB   LYS  19          1HB       LYS  19   4.219   2.708  -4.658
  159   2HB   LYS  19          2HB       LYS  19   5.338   1.369  -4.775
  160   1HG   LYS  19          2HG       LYS  19   4.606   2.096  -7.010
  161   2HG   LYS  19          1HG       LYS  19   4.136   0.445  -6.676
  162   1HD   LYS  19          2HD       LYS  19   1.799   1.275  -6.112
  163   2HD   LYS  19          1HD       LYS  19   2.324   2.906  -6.513
  164   1HE   LYS  19          2HE       LYS  19   1.181   1.826  -8.439
  165   2HE   LYS  19          1HE       LYS  19   2.862   2.159  -8.826
  166   1HZ   LYS  19          1HZ       LYS  19   2.709  -0.374  -7.641
  167   2HZ   LYS  19          2HZ       LYS  19   3.172   0.036  -9.222
  168   3HZ   LYS  19          3HZ       LYS  19   1.542  -0.288  -8.872
  169    H    THR  20           H        THR  20   4.827   1.946  -2.347
  170    HA   THR  20           HA       THR  20   6.599   0.196  -1.313
  171    HB   THR  20           HB       THR  20   4.829   2.097   0.357
  172    HG1  THR  20           HG1      THR  20   7.268   2.951  -0.299
  173   1HG2  THR  20          1HG2      THR  20   7.728   1.153   0.840
  174   2HG2  THR  20          2HG2      THR  20   6.354   0.571   1.771
  175   3HG2  THR  20          3HG2      THR  20   6.812   2.263   1.847
  176    H    HIS  21           H        HIS  21   3.278   0.377  -0.314
  177    HA   HIS  21           HA       HIS  21   3.290  -1.761   1.553
  178   1HB   HIS  21          1HB       HIS  21   1.445  -0.251   1.733
  179   2HB   HIS  21          2HB       HIS  21   1.087  -0.302   0.018
  180    HD1  HIS  21           HD1      HIS  21   0.769  -2.451   3.055
  181    HD2  HIS  21           HD2      HIS  21  -0.538  -2.454  -0.837
  182    HE1  HIS  21           HE1      HIS  21  -0.861  -4.298   2.853
  183    H    THR  22           H        THR  22   1.966  -1.762  -1.753
  184    HA   THR  22           HA       THR  22   1.229  -4.428  -1.912
  185    HB   THR  22           HB       THR  22   2.194  -2.614  -4.144
  186    HG1  THR  22           HG1      THR  22   0.580  -1.787  -2.942
  187   1HG2  THR  22          1HG2      THR  22   0.233  -4.971  -4.241
  188   2HG2  THR  22          2HG2      THR  22   1.858  -5.073  -4.896
  189   3HG2  THR  22          3HG2      THR  22   0.704  -3.950  -5.585
  190    H    ARG  23           H        ARG  23   4.376  -3.077  -1.920
  191    HA   ARG  23           HA       ARG  23   5.640  -5.412  -3.154
  192   1HB   ARG  23          1HB       ARG  23   6.858  -3.065  -1.635
  193   2HB   ARG  23          2HB       ARG  23   7.785  -4.232  -2.547
  194   1HG   ARG  23          2HG       ARG  23   5.734  -2.309  -3.725
  195   2HG   ARG  23          1HG       ARG  23   7.468  -2.128  -3.808
  196   1HD   ARG  23          2HD       ARG  23   6.923  -3.046  -5.923
  197   2HD   ARG  23          1HD       ARG  23   7.425  -4.463  -5.021
  198    HE   ARG  23           HE       ARG  23   4.989  -4.971  -4.662
  199   1HH1  ARG  23          1HH1      ARG  23   4.985  -2.065  -6.286
  200   2HH1  ARG  23          2HH1      ARG  23   3.952  -2.593  -7.570
  201   1HH2  ARG  23          2HH2      ARG  23   4.082  -5.951  -6.655
  202   2HH2  ARG  23          1HH2      ARG  23   3.448  -4.808  -7.785
  203    H    THR  24           H        THR  24   3.979  -5.970  -1.071
  204    HA   THR  24           HA       THR  24   5.669  -7.302   0.960
  205    HB   THR  24           HB       THR  24   4.219  -5.336   1.964
  206    HG1  THR  24           HG1      THR  24   4.470  -6.698   3.530
  207   1HG2  THR  24          1HG2      THR  24   1.965  -7.389   1.463
  208   2HG2  THR  24          2HG2      THR  24   2.069  -5.920   0.520
  209   3HG2  THR  24          3HG2      THR  24   1.809  -5.830   2.254
  210    H    HIS  25           H        HIS  25   3.568  -7.337  -1.597
  211    HA   HIS  25           HA       HIS  25   2.424 -10.040  -1.155
  212   1HB   HIS  25          1HB       HIS  25   1.759  -7.892  -3.264
  213   2HB   HIS  25          2HB       HIS  25   0.923  -9.416  -3.062
  214    HD1  HIS  25           HD1      HIS  25   0.366  -9.411  -0.135
  215    HD2  HIS  25           HD2      HIS  25  -0.063  -5.977  -2.343
  216    HE1  HIS  25           HE1      HIS  25  -1.200  -7.968   1.117
  217    H    THR  26           H        THR  26   4.085  -7.869  -3.319
  218    HA   THR  26           HA       THR  26   5.078 -10.007  -5.086
  219    HB   THR  26           HB       THR  26   5.634  -6.973  -5.106
  220    HG1  THR  26           HG1      THR  26   4.128  -7.865  -7.077
  221   1HG2  THR  26          1HG2      THR  26   5.934  -9.096  -7.317
  222   2HG2  THR  26          2HG2      THR  26   7.303  -8.426  -6.445
  223   3HG2  THR  26          3HG2      THR  26   6.316  -7.388  -7.459
  224    H    GLY  27           H        GLY  27   6.189  -7.751  -2.736
  225   1HA   GLY  27          1HA       GLY  27   8.910  -9.004  -2.610
  226   2HA   GLY  27          2HA       GLY  27   8.509  -7.384  -2.026
  227    H    GLU  28           H        GLU  28   7.454 -10.712  -1.621
  228    HA   GLU  28           HA       GLU  28   7.031 -10.273   1.301
  229   1HB   GLU  28          1HB       GLU  28   5.037 -10.961  -0.143
  230   2HB   GLU  28          2HB       GLU  28   5.861 -12.446  -0.502
  231   1HG   GLU  28          2HG       GLU  28   5.249 -11.582   2.359
  232   2HG   GLU  28          1HG       GLU  28   4.158 -12.584   1.424
  233    H    LYS  29           H        LYS  29   7.923 -12.694  -0.992
  234    HA   LYS  29           HA       LYS  29   9.957 -13.845   0.894
  235   1HB   LYS  29          1HB       LYS  29   9.610 -16.012  -0.088
  236   2HB   LYS  29          2HB       LYS  29   8.048 -15.412   0.372
  237   1HG   LYS  29          2HG       LYS  29   9.219 -15.494  -2.448
  238   2HG   LYS  29          1HG       LYS  29   7.967 -16.538  -1.830
  239   1HD   LYS  29          2HD       LYS  29   6.483 -14.456  -1.552
  240   2HD   LYS  29          1HD       LYS  29   7.725 -13.571  -2.429
  241   1HE   LYS  29          2HE       LYS  29   6.326 -16.005  -3.560
  242   2HE   LYS  29          1HE       LYS  29   5.967 -14.338  -3.975
  243   1HZ   LYS  29          1HZ       LYS  29   8.721 -14.710  -4.200
  244   2HZ   LYS  29          2HZ       LYS  29   7.599 -14.391  -5.430
  245   3HZ   LYS  29          3HZ       LYS  29   7.958 -15.994  -5.009
  Start of MODEL   38
    1   1H    LYS   1          1H        LYS   1  -8.415  10.701  -0.585
    2   2H    LYS   1          2H        LYS   1  -9.689  11.529  -1.342
    3   3H    LYS   1          3H        LYS   1  -8.279  12.363  -0.900
    4    HA   LYS   1           HA       LYS   1  -8.863  11.047  -3.313
    5   1HB   LYS   1          2HB       LYS   1  -6.262  12.329  -2.331
    6   2HB   LYS   1          1HB       LYS   1  -6.718  12.096  -4.003
    7   1HG   LYS   1          2HG       LYS   1  -8.105  13.922  -1.983
    8   2HG   LYS   1          1HG       LYS   1  -7.100  14.433  -3.314
    9   1HD   LYS   1          2HD       LYS   1  -9.823  13.057  -3.539
   10   2HD   LYS   1          1HD       LYS   1  -9.472  14.733  -3.881
   11   1HE   LYS   1          2HE       LYS   1  -8.341  12.369  -5.446
   12   2HE   LYS   1          1HE       LYS   1  -9.608  13.457  -5.980
   13   1HZ   LYS   1          1HZ       LYS   1  -7.446  15.016  -5.173
   14   2HZ   LYS   1          2HZ       LYS   1  -8.081  14.815  -6.735
   15   3HZ   LYS   1          3HZ       LYS   1  -6.847  13.787  -6.178
   16    HA   PRO   2           HA       PRO   2  -6.670   7.618  -1.045
   17   1HB   PRO   2          1HB       PRO   2  -8.506   5.705  -1.051
   18   2HB   PRO   2          2HB       PRO   2  -8.745   7.140  -0.040
   19   1HG   PRO   2          2HG       PRO   2  -9.836   6.629  -2.869
   20   2HG   PRO   2          1HG       PRO   2 -10.755   7.087  -1.432
   21   1HD   PRO   2          1HD       PRO   2  -9.871   8.976  -3.233
   22   2HD   PRO   2          2HD       PRO   2  -9.956   9.342  -1.494
   23    H    PHE   3           H        PHE   3  -5.939   5.636  -1.530
   24    HA   PHE   3           HA       PHE   3  -5.829   4.764  -4.391
   25   1HB   PHE   3          1HB       PHE   3  -3.605   5.121  -2.328
   26   2HB   PHE   3          2HB       PHE   3  -3.370   4.175  -3.785
   27    HD1  PHE   3           HD1      PHE   3  -3.334   5.275  -5.990
   28    HD2  PHE   3           HD2      PHE   3  -3.838   7.558  -2.431
   29    HE1  PHE   3           HE1      PHE   3  -2.844   7.323  -7.239
   30    HE2  PHE   3           HE2      PHE   3  -3.356   9.617  -3.688
   31    HZ   PHE   3           HZ       PHE   3  -2.862   9.500  -6.097
   32    H    GLN   4           H        GLN   4  -5.971   2.442  -4.536
   33    HA   GLN   4           HA       GLN   4  -6.114   1.029  -1.891
   34   1HB   GLN   4          1HB       GLN   4  -8.416   1.493  -2.814
   35   2HB   GLN   4          2HB       GLN   4  -7.995   0.586  -4.252
   36   1HG   GLN   4          2HG       GLN   4  -7.608  -1.458  -2.834
   37   2HG   GLN   4          1HG       GLN   4  -8.041  -0.540  -1.404
   38   1HE2  GLN   4          2HE2      GLN   4 -10.139  -0.920  -0.794
   39   2HE2  GLN   4          1HE2      GLN   4 -11.424  -1.279  -1.843
   40    H    CYS   5           H        CYS   5  -5.586  -1.112  -1.875
   41    HA   CYS   5           HA       CYS   5  -3.653  -1.917  -3.964
   42   1HB   CYS   5          1HB       CYS   5  -2.940  -2.140  -1.686
   43   2HB   CYS   5          2HB       CYS   5  -4.405  -3.009  -1.234
   44    H    LYS   6           H        LYS   6  -3.999  -3.622  -5.312
   45    HA   LYS   6           HA       LYS   6  -6.773  -4.745  -5.379
   46   1HB   LYS   6          1HB       LYS   6  -6.229  -5.301  -7.746
   47   2HB   LYS   6          2HB       LYS   6  -6.075  -3.589  -7.426
   48   1HG   LYS   6          2HG       LYS   6  -3.656  -3.718  -7.294
   49   2HG   LYS   6          1HG       LYS   6  -3.658  -5.463  -7.350
   50   1HD   LYS   6          2HD       LYS   6  -4.553  -3.600  -9.608
   51   2HD   LYS   6          1HD       LYS   6  -3.025  -4.451  -9.543
   52   1HE   LYS   6          2HE       LYS   6  -5.783  -5.761  -9.748
   53   2HE   LYS   6          1HE       LYS   6  -4.561  -5.685 -10.998
   54   1HZ   LYS   6          1HZ       LYS   6  -3.363  -6.760  -8.732
   55   2HZ   LYS   6          2HZ       LYS   6  -3.688  -7.518 -10.217
   56   3HZ   LYS   6          3HZ       LYS   6  -4.837  -7.570  -8.966
   57    H    THR   7           H        THR   7  -4.962  -5.624  -3.492
   58    HA   THR   7           HA       THR   7  -4.617  -8.471  -4.288
   59    HB   THR   7           HB       THR   7  -2.586  -6.918  -2.570
   60    HG1  THR   7           HG1      THR   7  -3.032  -7.077  -5.251
   61   1HG2  THR   7          1HG2      THR   7  -2.481  -9.581  -4.101
   62   2HG2  THR   7          2HG2      THR   7  -2.695  -9.499  -2.361
   63   3HG2  THR   7          3HG2      THR   7  -1.204  -8.935  -3.091
   64    H    CYS   8           H        CYS   8  -4.863  -6.144  -1.603
   65    HA   CYS   8           HA       CYS   8  -6.158  -8.316   0.022
   66   1HB   CYS   8          1HB       CYS   8  -5.305  -7.141   2.005
   67   2HB   CYS   8          2HB       CYS   8  -3.992  -7.636   0.931
   68    H    GLN   9           H        GLN   9  -6.103  -5.043  -0.917
   69    HA   GLN   9           HA       GLN   9  -7.798  -3.523  -1.378
   70   1HB   GLN   9          1HB       GLN   9  -9.692  -5.452   0.144
   71   2HB   GLN   9          2HB       GLN   9 -10.150  -3.887  -0.448
   72   1HG   GLN   9          2HG       GLN   9 -10.760  -5.588  -2.113
   73   2HG   GLN   9          1HG       GLN   9  -9.593  -4.455  -2.757
   74   1HE2  GLN   9          2HE2      GLN   9  -7.666  -5.293  -3.575
   75   2HE2  GLN   9          1HE2      GLN   9  -7.229  -6.931  -3.494
   76    H    ARG  10           H        ARG  10  -5.983  -3.025   0.148
   77    HA   ARG  10           HA       ARG  10  -6.991  -1.821   2.699
   78   1HB   ARG  10          1HB       ARG  10  -4.967  -3.382   2.850
   79   2HB   ARG  10          2HB       ARG  10  -4.120  -2.322   1.725
   80   1HG   ARG  10          2HG       ARG  10  -4.294  -0.450   3.349
   81   2HG   ARG  10          1HG       ARG  10  -5.214  -1.470   4.444
   82   1HD   ARG  10          2HD       ARG  10  -3.293  -2.992   4.702
   83   2HD   ARG  10          1HD       ARG  10  -2.354  -2.072   3.539
   84    HE   ARG  10           HE       ARG  10  -2.601  -0.114   5.164
   85   1HH1  ARG  10          2HH2      ARG  10  -4.072  -2.634   6.686
   86   2HH1  ARG  10          1HH2      ARG  10  -3.037  -2.668   8.074
   87   1HH2  ARG  10          1HH1      ARG  10  -0.721  -0.457   6.665
   88   2HH2  ARG  10          2HH1      ARG  10  -1.096  -1.411   8.062
   89    H    LYS  11           H        LYS  11  -6.556   0.483   2.851
   90    HA   LYS  11           HA       LYS  11  -6.035   1.673   0.157
   91   1HB   LYS  11          1HB       LYS  11  -7.732   2.872   2.400
   92   2HB   LYS  11          2HB       LYS  11  -7.582   3.469   0.753
   93   1HG   LYS  11          2HG       LYS  11  -8.573   1.314  -0.097
   94   2HG   LYS  11          1HG       LYS  11  -8.748   0.756   1.550
   95   1HD   LYS  11          2HD       LYS  11 -10.904   1.594   0.916
   96   2HD   LYS  11          1HD       LYS  11 -10.219   2.764   2.027
   97   1HE   LYS  11          2HE       LYS  11 -11.262   3.886   0.080
   98   2HE   LYS  11          1HE       LYS  11  -9.535   4.200   0.109
   99   1HZ   LYS  11          1HZ       LYS  11 -10.007   1.836  -1.329
  100   2HZ   LYS  11          2HZ       LYS  11  -9.373   3.308  -1.889
  101   3HZ   LYS  11          3HZ       LYS  11 -11.050   3.037  -1.914
  102    H    PHE  12           H        PHE  12  -5.113   3.745   0.143
  103    HA   PHE  12           HA       PHE  12  -3.383   4.476   2.454
  104   1HB   PHE  12          1HB       PHE  12  -2.481   4.185  -0.466
  105   2HB   PHE  12          2HB       PHE  12  -1.457   4.651   0.879
  106    HD1  PHE  12           HD1      PHE  12  -0.932   3.004   2.678
  107    HD2  PHE  12           HD2      PHE  12  -3.273   1.858  -0.699
  108    HE1  PHE  12           HE1      PHE  12  -0.666   0.631   3.279
  109    HE2  PHE  12           HE2      PHE  12  -2.997  -0.503  -0.094
  110    HZ   PHE  12           HZ       PHE  12  -1.707  -1.106   1.881
  111    H    SER  13           H        SER  13  -2.163   6.573   1.679
  112    HA   SER  13           HA       SER  13  -4.278   8.575   1.077
  113   1HB   SER  13          2HB       SER  13  -2.563  10.178   2.065
  114   2HB   SER  13          1HB       SER  13  -3.050   8.915   3.181
  115    HG   SER  13           HG       SER  13  -0.625   9.357   2.075
  116    H    ARG  14           H        ARG  14  -1.051   7.587   0.130
  117    HA   ARG  14           HA       ARG  14  -1.292   9.207  -2.377
  118   1HB   ARG  14          1HB       ARG  14   1.140   8.446  -0.741
  119   2HB   ARG  14          2HB       ARG  14   1.248   9.084  -2.377
  120   1HG   ARG  14          2HG       ARG  14   0.198  11.151  -1.740
  121   2HG   ARG  14          1HG       ARG  14  -0.129  10.550  -0.123
  122   1HD   ARG  14          2HD       ARG  14   2.198  10.455   0.434
  123   2HD   ARG  14          1HD       ARG  14   2.724  10.655  -1.219
  124    HE   ARG  14           HE       ARG  14   1.837  13.004  -1.064
  125   1HH1  ARG  14          2HH2      ARG  14   3.966  12.148   1.106
  126   2HH1  ARG  14          1HH2      ARG  14   3.373  13.059   2.455
  127   1HH2  ARG  14          1HH1      ARG  14   0.309  13.737   0.900
  128   2HH2  ARG  14          2HH1      ARG  14   1.248  13.989   2.334
  129    H    SER  15           H        SER  15   0.355   8.322  -4.001
  130    HA   SER  15           HA       SER  15  -0.441   5.543  -4.611
  131   1HB   SER  15          2HB       SER  15   0.369   6.130  -6.914
  132   2HB   SER  15          1HB       SER  15  -0.690   7.376  -6.328
  133    HG   SER  15           HG       SER  15   0.872   8.710  -6.309
  134    H    ASP  16           H        ASP  16   2.446   7.501  -3.945
  135    HA   ASP  16           HA       ASP  16   4.338   5.396  -4.528
  136   1HB   ASP  16          1HB       ASP  16   5.955   6.856  -3.246
  137   2HB   ASP  16          2HB       ASP  16   5.069   7.763  -4.473
  138    H    HIS  17           H        HIS  17   2.263   6.239  -1.926
  139    HA   HIS  17           HA       HIS  17   3.569   4.700   0.125
  140   1HB   HIS  17          1HB       HIS  17   0.708   5.784  -0.176
  141   2HB   HIS  17          2HB       HIS  17   1.226   4.928   1.261
  142    HD1  HIS  17           HD1      HIS  17   0.582   7.671   1.983
  143    HD2  HIS  17           HD2      HIS  17   4.269   6.927   0.383
  144    HE1  HIS  17           HE1      HIS  17   2.016   9.520   2.660
  145    H    LEU  18           H        LEU  18   0.605   4.221  -1.785
  146    HA   LEU  18           HA       LEU  18   0.055   1.562  -1.220
  147   1HB   LEU  18          1HB       LEU  18  -1.437   2.938  -2.575
  148   2HB   LEU  18          2HB       LEU  18  -0.218   3.111  -3.833
  149    HG   LEU  18           HG       LEU  18  -0.377   0.627  -4.260
  150   1HD1  LEU  18          1HD1      LEU  18  -2.710   0.705  -2.343
  151   2HD1  LEU  18          2HD1      LEU  18  -1.173  -0.093  -2.030
  152   3HD1  LEU  18          3HD1      LEU  18  -2.198  -0.645  -3.332
  153   1HD2  LEU  18          1HD2      LEU  18  -1.723   2.295  -5.550
  154   2HD2  LEU  18          2HD2      LEU  18  -3.015   2.143  -4.366
  155   3HD2  LEU  18          3HD2      LEU  18  -2.584   0.775  -5.376
  156    H    LYS  19           H        LYS  19   2.282   2.780  -3.716
  157    HA   LYS  19           HA       LYS  19   3.095   0.316  -4.803
  158   1HB   LYS  19          1HB       LYS  19   3.652   2.606  -5.713
  159   2HB   LYS  19          2HB       LYS  19   4.729   2.882  -4.358
  160   1HG   LYS  19          2HG       LYS  19   6.186   1.034  -5.101
  161   2HG   LYS  19          1HG       LYS  19   5.068   0.656  -6.403
  162   1HD   LYS  19          2HD       LYS  19   5.426   2.943  -7.357
  163   2HD   LYS  19          1HD       LYS  19   6.543   3.313  -6.055
  164   1HE   LYS  19          2HE       LYS  19   7.761   2.638  -8.100
  165   2HE   LYS  19          1HE       LYS  19   8.039   1.463  -6.823
  166   1HZ   LYS  19          1HZ       LYS  19   5.737   0.734  -8.250
  167   2HZ   LYS  19          2HZ       LYS  19   7.213  -0.097  -8.118
  168   3HZ   LYS  19          3HZ       LYS  19   6.985   1.040  -9.359
  169    H    THR  20           H        THR  20   4.667   2.094  -2.120
  170    HA   THR  20           HA       THR  20   6.625   0.130  -1.572
  171    HB   THR  20           HB       THR  20   5.195   2.009   0.437
  172    HG1  THR  20           HG1      THR  20   6.038   3.164  -1.215
  173   1HG2  THR  20          1HG2      THR  20   8.063   0.881   0.370
  174   2HG2  THR  20          2HG2      THR  20   6.829   0.226   1.433
  175   3HG2  THR  20          3HG2      THR  20   7.370   1.880   1.640
  176    H    HIS  21           H        HIS  21   3.330   0.446  -0.465
  177    HA   HIS  21           HA       HIS  21   3.211  -1.710   1.365
  178   1HB   HIS  21          1HB       HIS  21   1.364  -0.212   1.363
  179   2HB   HIS  21          2HB       HIS  21   1.056  -0.383  -0.345
  180    HD1  HIS  21           HD1      HIS  21   0.668  -2.306   2.820
  181    HD2  HIS  21           HD2      HIS  21  -0.504  -2.599  -1.091
  182    HE1  HIS  21           HE1      HIS  21  -0.980  -4.148   2.711
  183    H    THR  22           H        THR  22   2.019  -1.822  -1.996
  184    HA   THR  22           HA       THR  22   1.297  -4.402  -2.308
  185    HB   THR  22           HB       THR  22   2.063  -3.908  -4.793
  186    HG1  THR  22           HG1      THR  22   2.532  -1.441  -3.602
  187   1HG2  THR  22          1HG2      THR  22   0.422  -1.756  -3.368
  188   2HG2  THR  22          2HG2      THR  22  -0.252  -3.286  -3.887
  189   3HG2  THR  22          3HG2      THR  22   0.362  -2.152  -5.079
  190    H    ARG  23           H        ARG  23   4.504  -3.189  -2.022
  191    HA   ARG  23           HA       ARG  23   5.674  -5.676  -2.945
  192   1HB   ARG  23          1HB       ARG  23   6.654  -3.281  -3.220
  193   2HB   ARG  23          2HB       ARG  23   7.094  -3.394  -1.539
  194   1HG   ARG  23          2HG       ARG  23   8.686  -5.021  -1.837
  195   2HG   ARG  23          1HG       ARG  23   7.901  -5.751  -3.212
  196   1HD   ARG  23          2HD       ARG  23   9.392  -3.080  -3.227
  197   2HD   ARG  23          1HD       ARG  23   9.984  -4.632  -3.800
  198    HE   ARG  23           HE       ARG  23   9.047  -3.227  -5.693
  199   1HH1  ARG  23          2HH2      ARG  23   7.941  -6.093  -5.338
  200   2HH1  ARG  23          1HH2      ARG  23   6.275  -5.872  -5.732
  201   1HH2  ARG  23          1HH1      ARG  23   6.566  -2.360  -5.571
  202   2HH2  ARG  23          2HH1      ARG  23   5.488  -3.668  -5.927
  203    H    THR  24           H        THR  24   3.986  -6.045  -1.012
  204    HA   THR  24           HA       THR  24   5.459  -7.082   1.365
  205    HB   THR  24           HB       THR  24   3.865  -5.119   2.010
  206    HG1  THR  24           HG1      THR  24   2.633  -7.191   3.180
  207   1HG2  THR  24          1HG2      THR  24   1.681  -7.189   1.311
  208   2HG2  THR  24          2HG2      THR  24   1.945  -5.771   0.322
  209   3HG2  THR  24          3HG2      THR  24   1.426  -5.597   1.991
  210    H    HIS  25           H        HIS  25   3.190  -7.337  -1.169
  211    HA   HIS  25           HA       HIS  25   2.412 -10.138  -0.558
  212   1HB   HIS  25          1HB       HIS  25   1.448  -8.323  -2.823
  213   2HB   HIS  25          2HB       HIS  25   0.755  -9.854  -2.340
  214    HD1  HIS  25           HD1      HIS  25   0.027  -9.511   0.483
  215    HD2  HIS  25           HD2      HIS  25  -0.205  -6.329  -2.074
  216    HE1  HIS  25           HE1      HIS  25  -1.563  -7.911   1.499
  217    H    THR  26           H        THR  26   3.730  -7.994  -3.029
  218    HA   THR  26           HA       THR  26   4.992 -10.303  -4.442
  219    HB   THR  26           HB       THR  26   5.019  -8.749  -6.447
  220    HG1  THR  26           HG1      THR  26   3.442  -6.859  -5.343
  221   1HG2  THR  26          1HG2      THR  26   2.288  -8.664  -5.034
  222   2HG2  THR  26          2HG2      THR  26   2.846 -10.035  -5.976
  223   3HG2  THR  26          3HG2      THR  26   2.563  -8.487  -6.756
  224    H    GLY  27           H        GLY  27   6.335  -9.782  -2.291
  225   1HA   GLY  27          1HA       GLY  27   8.594  -7.929  -2.991
  226   2HA   GLY  27          2HA       GLY  27   8.170  -8.426  -1.354
  227    H    GLU  28           H        GLU  28   8.810  -9.966  -4.460
  228    HA   GLU  28           HA       GLU  28   9.520 -12.407  -4.124
  229   1HB   GLU  28          1HB       GLU  28  10.873 -10.244  -5.676
  230   2HB   GLU  28          2HB       GLU  28  11.443 -11.879  -5.774
  231   1HG   GLU  28          2HG       GLU  28   9.165 -12.642  -6.466
  232   2HG   GLU  28          1HG       GLU  28   8.614 -10.971  -6.407
  233    H    LYS  29           H        LYS  29  11.064 -13.740  -3.839
  234    HA   LYS  29           HA       LYS  29  12.417 -14.387  -1.792
  235   1HB   LYS  29          1HB       LYS  29  14.425 -15.131  -3.318
  236   2HB   LYS  29          2HB       LYS  29  12.817 -15.722  -3.672
  237   1HG   LYS  29          2HG       LYS  29  12.516 -13.888  -5.369
  238   2HG   LYS  29          1HG       LYS  29  14.130 -13.317  -5.008
  239   1HD   LYS  29          2HD       LYS  29  15.150 -15.198  -6.022
  240   2HD   LYS  29          1HD       LYS  29  13.703 -16.176  -5.888
  241   1HE   LYS  29          2HE       LYS  29  14.160 -15.339  -8.251
  242   2HE   LYS  29          1HE       LYS  29  12.578 -14.901  -7.636
  243   1HZ   LYS  29          1HZ       LYS  29  14.371 -12.881  -6.924
  244   2HZ   LYS  29          2HZ       LYS  29  13.045 -12.823  -7.984
  245   3HZ   LYS  29          3HZ       LYS  29  14.588 -13.222  -8.574
  Start of MODEL   39
    1   1H    LYS   1          1H        LYS   1  -4.899  11.142  -1.980
    2   2H    LYS   1          2H        LYS   1  -5.907  12.487  -1.721
    3   3H    LYS   1          3H        LYS   1  -4.711  12.524  -2.921
    4    HA   LYS   1           HA       LYS   1  -7.363  11.828  -3.207
    5   1HB   LYS   1          2HB       LYS   1  -5.729  12.983  -4.803
    6   2HB   LYS   1          1HB       LYS   1  -5.016  11.425  -5.134
    7   1HG   LYS   1          2HG       LYS   1  -6.558  11.902  -6.921
    8   2HG   LYS   1          1HG       LYS   1  -7.296  10.639  -5.956
    9   1HD   LYS   1          2HD       LYS   1  -8.732  12.309  -4.813
   10   2HD   LYS   1          1HD       LYS   1  -7.916  13.615  -5.656
   11   1HE   LYS   1          2HE       LYS   1 -10.066  13.083  -6.751
   12   2HE   LYS   1          1HE       LYS   1  -8.734  12.720  -7.833
   13   1HZ   LYS   1          1HZ       LYS   1  -9.273  10.454  -6.272
   14   2HZ   LYS   1          2HZ       LYS   1  -9.422  10.652  -7.952
   15   3HZ   LYS   1          3HZ       LYS   1 -10.733  11.017  -6.936
   16    HA   PRO   2           HA       PRO   2  -6.188   7.833  -1.179
   17   1HB   PRO   2          1HB       PRO   2  -9.124   7.530  -1.852
   18   2HB   PRO   2          2HB       PRO   2  -8.226   6.881  -0.471
   19   1HG   PRO   2          2HG       PRO   2  -9.480   9.201  -0.119
   20   2HG   PRO   2          1HG       PRO   2  -7.809   9.086   0.443
   21   1HD   PRO   2          1HD       PRO   2  -8.874  10.438  -2.066
   22   2HD   PRO   2          2HD       PRO   2  -7.531  10.943  -1.018
   23    H    PHE   3           H        PHE   3  -5.615   5.958  -1.627
   24    HA   PHE   3           HA       PHE   3  -5.968   4.792  -4.359
   25   1HB   PHE   3          1HB       PHE   3  -3.518   4.917  -2.557
   26   2HB   PHE   3          2HB       PHE   3  -3.595   3.919  -3.996
   27    HD1  PHE   3           HD1      PHE   3  -3.323   4.961  -6.192
   28    HD2  PHE   3           HD2      PHE   3  -3.739   7.404  -2.723
   29    HE1  PHE   3           HE1      PHE   3  -2.703   6.939  -7.503
   30    HE2  PHE   3           HE2      PHE   3  -3.132   9.379  -4.040
   31    HZ   PHE   3           HZ       PHE   3  -2.616   9.150  -6.435
   32    H    GLN   4           H        GLN   4  -5.663   2.428  -4.381
   33    HA   GLN   4           HA       GLN   4  -6.083   1.088  -1.769
   34   1HB   GLN   4          1HB       GLN   4  -8.362   1.592  -2.706
   35   2HB   GLN   4          2HB       GLN   4  -7.938   0.705  -4.162
   36   1HG   GLN   4          2HG       GLN   4  -7.692  -1.395  -2.882
   37   2HG   GLN   4          1HG       GLN   4  -7.914  -0.536  -1.364
   38   1HE2  GLN   4          2HE2      GLN   4  -9.932  -0.916  -0.557
   39   2HE2  GLN   4          1HE2      GLN   4 -11.342  -1.103  -1.479
   40    H    CYS   5           H        CYS   5  -5.732  -1.142  -1.803
   41    HA   CYS   5           HA       CYS   5  -3.819  -2.018  -3.912
   42   1HB   CYS   5          1HB       CYS   5  -2.992  -2.130  -1.649
   43   2HB   CYS   5          2HB       CYS   5  -4.419  -3.011  -1.115
   44    H    LYS   6           H        LYS   6  -4.530  -3.402  -5.352
   45    HA   LYS   6           HA       LYS   6  -7.166  -4.735  -4.972
   46   1HB   LYS   6          1HB       LYS   6  -7.145  -5.063  -7.412
   47   2HB   LYS   6          2HB       LYS   6  -6.886  -3.391  -7.040
   48   1HG   LYS   6          2HG       LYS   6  -4.714  -5.382  -7.876
   49   2HG   LYS   6          1HG       LYS   6  -5.462  -4.210  -8.925
   50   1HD   LYS   6          2HD       LYS   6  -3.527  -3.627  -6.642
   51   2HD   LYS   6          1HD       LYS   6  -3.317  -3.363  -8.340
   52   1HE   LYS   6          2HE       LYS   6  -5.001  -1.626  -8.448
   53   2HE   LYS   6          1HE       LYS   6  -5.450  -1.882  -6.768
   54   1HZ   LYS   6          1HZ       LYS   6  -2.701  -1.453  -6.854
   55   2HZ   LYS   6          2HZ       LYS   6  -3.933  -0.504  -6.168
   56   3HZ   LYS   6          3HZ       LYS   6  -3.455  -0.238  -7.777
   57    H    THR   7           H        THR   7  -5.047  -5.596  -3.493
   58    HA   THR   7           HA       THR   7  -4.565  -8.344  -4.528
   59    HB   THR   7           HB       THR   7  -2.597  -6.752  -2.765
   60    HG1  THR   7           HG1      THR   7  -2.243  -5.781  -4.607
   61   1HG2  THR   7          1HG2      THR   7  -2.209  -9.146  -4.646
   62   2HG2  THR   7          2HG2      THR   7  -2.366  -9.335  -2.906
   63   3HG2  THR   7          3HG2      THR   7  -1.008  -8.449  -3.576
   64    H    CYS   8           H        CYS   8  -4.942  -6.185  -1.709
   65    HA   CYS   8           HA       CYS   8  -6.023  -8.537  -0.180
   66   1HB   CYS   8          1HB       CYS   8  -5.147  -7.543   1.856
   67   2HB   CYS   8          2HB       CYS   8  -3.836  -7.751   0.696
   68    H    GLN   9           H        GLN   9  -6.079  -5.169  -0.743
   69    HA   GLN   9           HA       GLN   9  -7.940  -3.751  -1.155
   70   1HB   GLN   9          1HB       GLN   9  -9.572  -5.699   0.599
   71   2HB   GLN   9          2HB       GLN   9 -10.122  -4.148   0.067
   72   1HG   GLN   9          2HG       GLN   9 -10.922  -5.822  -1.510
   73   2HG   GLN   9          1HG       GLN   9  -9.856  -4.675  -2.292
   74   1HE2  GLN   9          2HE2      GLN   9  -7.704  -5.461  -2.976
   75   2HE2  GLN   9          1HE2      GLN   9  -7.430  -7.124  -3.161
   76    H    ARG  10           H        ARG  10  -5.980  -3.046   0.156
   77    HA   ARG  10           HA       ARG  10  -6.893  -1.834   2.749
   78   1HB   ARG  10          1HB       ARG  10  -4.808  -3.298   2.912
   79   2HB   ARG  10          2HB       ARG  10  -4.032  -2.264   1.717
   80   1HG   ARG  10          2HG       ARG  10  -4.146  -0.341   3.194
   81   2HG   ARG  10          1HG       ARG  10  -5.238  -1.159   4.292
   82   1HD   ARG  10          2HD       ARG  10  -3.389  -2.771   4.855
   83   2HD   ARG  10          1HD       ARG  10  -2.306  -1.840   3.823
   84    HE   ARG  10           HE       ARG  10  -2.698   0.109   5.328
   85   1HH1  ARG  10          2HH2      ARG  10  -5.087  -0.667   6.768
   86   2HH1  ARG  10          1HH2      ARG  10  -4.490  -1.312   8.260
   87   1HH2  ARG  10          1HH1      ARG  10  -1.242  -1.739   7.007
   88   2HH2  ARG  10          2HH1      ARG  10  -2.255  -1.928   8.400
   89    H    LYS  11           H        LYS  11  -6.268   0.480   2.917
   90    HA   LYS  11           HA       LYS  11  -6.066   1.694   0.192
   91   1HB   LYS  11          1HB       LYS  11  -7.483   2.770   2.671
   92   2HB   LYS  11          2HB       LYS  11  -7.345   3.615   1.138
   93   1HG   LYS  11          2HG       LYS  11  -8.655   1.927  -0.011
   94   2HG   LYS  11          1HG       LYS  11  -8.628   0.862   1.377
   95   1HD   LYS  11          2HD       LYS  11 -10.810   1.942   1.283
   96   2HD   LYS  11          1HD       LYS  11  -9.953   2.538   2.682
   97   1HE   LYS  11          2HE       LYS  11  -9.987   4.060   0.044
   98   2HE   LYS  11          1HE       LYS  11 -11.173   4.321   1.310
   99   1HZ   LYS  11          1HZ       LYS  11  -8.637   4.405   2.473
  100   2HZ   LYS  11          2HZ       LYS  11  -9.771   5.655   2.314
  101   3HZ   LYS  11          3HZ       LYS  11  -8.617   5.400   1.095
  102    H    PHE  12           H        PHE  12  -5.150   3.789   0.047
  103    HA   PHE  12           HA       PHE  12  -3.170   4.578   2.112
  104   1HB   PHE  12          1HB       PHE  12  -2.557   4.108  -0.867
  105   2HB   PHE  12          2HB       PHE  12  -1.411   4.644   0.343
  106    HD1  PHE  12           HD1      PHE  12  -0.904   3.140   2.329
  107    HD2  PHE  12           HD2      PHE  12  -3.235   1.771  -0.964
  108    HE1  PHE  12           HE1      PHE  12  -0.652   0.829   3.106
  109    HE2  PHE  12           HE2      PHE  12  -2.975  -0.557  -0.169
  110    HZ   PHE  12           HZ       PHE  12  -1.700  -1.004   1.861
  111    H    SER  13           H        SER  13  -2.198   6.793   1.261
  112    HA   SER  13           HA       SER  13  -4.493   8.398   0.210
  113   1HB   SER  13          2HB       SER  13  -3.670  10.247   1.682
  114   2HB   SER  13          1HB       SER  13  -4.195   8.841   2.584
  115    HG   SER  13           HG       SER  13  -2.210   8.688   3.274
  116    H    ARG  14           H        ARG  14  -1.103   7.893  -0.114
  117    HA   ARG  14           HA       ARG  14  -0.821  10.337  -1.783
  118   1HB   ARG  14          1HB       ARG  14   1.226   8.454  -0.685
  119   2HB   ARG  14          2HB       ARG  14   1.605   9.920  -1.604
  120   1HG   ARG  14          2HG       ARG  14   0.512  11.255   0.215
  121   2HG   ARG  14          1HG       ARG  14   0.245   9.800   1.146
  122   1HD   ARG  14          2HD       ARG  14   2.362  10.501   2.014
  123   2HD   ARG  14          1HD       ARG  14   2.815   9.379   0.773
  124    HE   ARG  14           HE       ARG  14   2.721  12.292   0.185
  125   1HH1  ARG  14          1HH1      ARG  14   5.279  11.507   1.267
  126   2HH1  ARG  14          2HH1      ARG  14   6.193  10.999  -0.113
  127   1HH2  ARG  14          2HH2      ARG  14   3.332  10.638  -2.108
  128   2HH2  ARG  14          1HH2      ARG  14   5.056  10.478  -2.076
  129    H    SER  15           H        SER  15   0.199   7.000  -2.013
  130    HA   SER  15           HA       SER  15  -0.443   5.666  -4.032
  131   1HB   SER  15          2HB       SER  15   0.444   6.466  -6.218
  132   2HB   SER  15          1HB       SER  15  -0.531   7.681  -5.404
  133    HG   SER  15           HG       SER  15   1.156   8.918  -5.434
  134    H    ASP  16           H        ASP  16   2.505   7.443  -3.157
  135    HA   ASP  16           HA       ASP  16   4.361   5.392  -3.963
  136   1HB   ASP  16          1HB       ASP  16   5.982   6.556  -2.511
  137   2HB   ASP  16          2HB       ASP  16   4.997   7.788  -3.312
  138    H    HIS  17           H        HIS  17   2.365   6.106  -1.257
  139    HA   HIS  17           HA       HIS  17   3.240   4.206   0.634
  140   1HB   HIS  17          1HB       HIS  17   0.503   5.427   0.029
  141   2HB   HIS  17          2HB       HIS  17   0.733   4.361   1.406
  142    HD1  HIS  17           HD1      HIS  17  -0.035   6.891   2.421
  143    HD2  HIS  17           HD2      HIS  17   3.867   6.466   1.275
  144    HE1  HIS  17           HE1      HIS  17   1.228   8.661   3.565
  145    H    LEU  18           H        LEU  18   0.521   4.062  -1.640
  146    HA   LEU  18           HA       LEU  18  -0.179   1.396  -1.499
  147   1HB   LEU  18          1HB       LEU  18  -1.353   3.063  -2.949
  148   2HB   LEU  18          2HB       LEU  18   0.005   3.054  -4.060
  149    HG   LEU  18           HG       LEU  18  -0.375   0.527  -4.354
  150   1HD1  LEU  18          1HD1      LEU  18  -2.963   1.111  -2.938
  151   2HD1  LEU  18          2HD1      LEU  18  -1.659   0.106  -2.320
  152   3HD1  LEU  18          3HD1      LEU  18  -2.526  -0.376  -3.760
  153   1HD2  LEU  18          1HD2      LEU  18  -1.146   2.217  -6.028
  154   2HD2  LEU  18          2HD2      LEU  18  -2.656   2.388  -5.151
  155   3HD2  LEU  18          3HD2      LEU  18  -2.255   0.865  -5.924
  156    H    LYS  19           H        LYS  19   2.237   2.649  -3.820
  157    HA   LYS  19           HA       LYS  19   3.060   0.196  -4.880
  158   1HB   LYS  19          1HB       LYS  19   4.798   2.654  -4.259
  159   2HB   LYS  19          2HB       LYS  19   5.278   1.360  -5.342
  160   1HG   LYS  19          2HG       LYS  19   3.386   1.847  -6.834
  161   2HG   LYS  19          1HG       LYS  19   2.781   3.074  -5.738
  162   1HD   LYS  19          2HD       LYS  19   4.942   4.341  -6.036
  163   2HD   LYS  19          1HD       LYS  19   5.445   3.140  -7.219
  164   1HE   LYS  19          2HE       LYS  19   3.447   3.689  -8.613
  165   2HE   LYS  19          1HE       LYS  19   2.973   4.908  -7.437
  166   1HZ   LYS  19          1HZ       LYS  19   5.652   5.325  -8.101
  167   2HZ   LYS  19          2HZ       LYS  19   4.316   6.326  -8.410
  168   3HZ   LYS  19          3HZ       LYS  19   4.776   5.149  -9.544
  169    H    THR  20           H        THR  20   4.649   1.804  -2.135
  170    HA   THR  20           HA       THR  20   6.495  -0.194  -1.493
  171    HB   THR  20           HB       THR  20   4.942   1.626   0.479
  172    HG1  THR  20           HG1      THR  20   5.821   2.768  -1.138
  173   1HG2  THR  20          1HG2      THR  20   7.826   0.549   0.515
  174   2HG2  THR  20          2HG2      THR  20   6.558  -0.180   1.492
  175   3HG2  THR  20          3HG2      THR  20   7.044   1.479   1.781
  176    H    HIS  21           H        HIS  21   3.165   0.167  -0.515
  177    HA   HIS  21           HA       HIS  21   2.953  -2.110   1.170
  178   1HB   HIS  21          1HB       HIS  21   1.305  -0.371   1.305
  179   2HB   HIS  21          2HB       HIS  21   0.845  -0.527  -0.373
  180    HD1  HIS  21           HD1      HIS  21   0.519  -2.351   2.855
  181    HD2  HIS  21           HD2      HIS  21  -0.699  -2.743  -1.028
  182    HE1  HIS  21           HE1      HIS  21  -1.155  -4.176   2.826
  183    H    THR  22           H        THR  22   2.107  -1.835  -2.323
  184    HA   THR  22           HA       THR  22   1.285  -4.536  -2.552
  185    HB   THR  22           HB       THR  22   1.557  -3.869  -5.106
  186    HG1  THR  22           HG1      THR  22   2.825  -2.293  -5.391
  187   1HG2  THR  22          1HG2      THR  22   0.134  -1.794  -3.352
  188   2HG2  THR  22          2HG2      THR  22  -0.604  -3.311  -3.837
  189   3HG2  THR  22          3HG2      THR  22  -0.203  -2.103  -5.046
  190    H    ARG  23           H        ARG  23   4.318  -3.205  -2.177
  191    HA   ARG  23           HA       ARG  23   5.667  -5.573  -3.418
  192   1HB   ARG  23          1HB       ARG  23   6.696  -2.811  -2.569
  193   2HB   ARG  23          2HB       ARG  23   7.759  -4.087  -3.129
  194   1HG   ARG  23          2HG       ARG  23   5.497  -2.830  -4.760
  195   2HG   ARG  23          1HG       ARG  23   7.208  -2.533  -4.984
  196   1HD   ARG  23          2HD       ARG  23   7.552  -4.948  -5.536
  197   2HD   ARG  23          1HD       ARG  23   5.823  -5.232  -5.375
  198    HE   ARG  23           HE       ARG  23   7.026  -3.433  -7.426
  199   1HH1  ARG  23          2HH2      ARG  23   5.015  -6.189  -6.767
  200   2HH1  ARG  23          1HH2      ARG  23   3.978  -5.843  -8.094
  201   1HH2  ARG  23          1HH1      ARG  23   5.441  -2.808  -8.898
  202   2HH2  ARG  23          2HH1      ARG  23   4.187  -3.938  -9.289
  203    H    THR  24           H        THR  24   4.163  -5.909  -1.415
  204    HA   THR  24           HA       THR  24   5.857  -6.658   0.918
  205    HB   THR  24           HB       THR  24   2.895  -5.798   0.938
  206    HG1  THR  24           HG1      THR  24   3.793  -3.884   1.211
  207   1HG2  THR  24          1HG2      THR  24   4.746  -6.351   3.266
  208   2HG2  THR  24          2HG2      THR  24   3.467  -7.427   2.725
  209   3HG2  THR  24          3HG2      THR  24   3.069  -5.832   3.336
  210    H    HIS  25           H        HIS  25   2.983  -7.050  -1.026
  211    HA   HIS  25           HA       HIS  25   2.460  -9.829  -0.367
  212   1HB   HIS  25          1HB       HIS  25   1.581  -8.161  -2.791
  213   2HB   HIS  25          2HB       HIS  25   0.916  -9.728  -2.362
  214    HD1  HIS  25           HD1      HIS  25   0.114  -9.469   0.432
  215    HD2  HIS  25           HD2      HIS  25  -0.267  -6.255  -2.073
  216    HE1  HIS  25           HE1      HIS  25  -1.587  -7.988   1.443
  217    H    THR  26           H        THR  26   4.306  -7.962  -2.569
  218    HA   THR  26           HA       THR  26   5.276 -10.273  -4.133
  219    HB   THR  26           HB       THR  26   6.007  -7.302  -4.475
  220    HG1  THR  26           HG1      THR  26   3.929  -7.262  -4.861
  221   1HG2  THR  26          1HG2      THR  26   5.835  -9.607  -6.494
  222   2HG2  THR  26          2HG2      THR  26   7.354  -9.069  -5.791
  223   3HG2  THR  26          3HG2      THR  26   6.419  -7.982  -6.809
  224    H    GLY  27           H        GLY  27   6.356  -7.557  -2.291
  225   1HA   GLY  27          1HA       GLY  27   7.929  -7.702  -0.419
  226   2HA   GLY  27          2HA       GLY  27   8.675  -9.105  -1.197
  227    H    GLU  28           H        GLU  28   9.200  -8.577  -3.499
  228    HA   GLU  28           HA       GLU  28  11.434  -7.664  -4.204
  229   1HB   GLU  28          1HB       GLU  28   9.586  -8.164  -5.761
  230   2HB   GLU  28          2HB       GLU  28   8.981  -6.531  -5.600
  231   1HG   GLU  28          2HG       GLU  28  11.119  -5.649  -6.577
  232   2HG   GLU  28          1HG       GLU  28  11.743  -7.285  -6.680
  233    H    LYS  29           H        LYS  29  12.093  -6.356  -2.378
  234    HA   LYS  29           HA       LYS  29  12.044  -3.422  -2.965
  235   1HB   LYS  29          1HB       LYS  29  11.809  -4.926  -0.353
  236   2HB   LYS  29          2HB       LYS  29  12.675  -3.402  -0.345
  237   1HG   LYS  29          2HG       LYS  29  10.692  -2.245  -1.284
  238   2HG   LYS  29          1HG       LYS  29   9.799  -3.755  -1.303
  239   1HD   LYS  29          2HD       LYS  29   9.954  -3.945   1.135
  240   2HD   LYS  29          1HD       LYS  29  11.057  -2.583   1.226
  241   1HE   LYS  29          2HE       LYS  29   8.797  -1.865   1.871
  242   2HE   LYS  29          1HE       LYS  29   9.258  -1.088   0.364
  243   1HZ   LYS  29          1HZ       LYS  29   8.032  -3.518  -0.248
  244   2HZ   LYS  29          2HZ       LYS  29   7.494  -1.943  -0.580
  245   3HZ   LYS  29          3HZ       LYS  29   7.053  -2.705   0.868
  Start of MODEL   40
    1   1H    LYS   1          1H        LYS   1  -9.372  10.601  -2.487
    2   2H    LYS   1          2H        LYS   1 -10.929  10.703  -3.151
    3   3H    LYS   1          3H        LYS   1  -9.730  11.805  -3.631
    4    HA   LYS   1           HA       LYS   1 -10.372   9.319  -4.752
    5   1HB   LYS   1          2HB       LYS   1  -8.116  11.286  -5.355
    6   2HB   LYS   1          1HB       LYS   1  -8.686  10.019  -6.429
    7   1HG   LYS   1          2HG       LYS   1 -11.018  11.136  -6.294
    8   2HG   LYS   1          1HG       LYS   1 -10.238  12.455  -5.449
    9   1HD   LYS   1          2HD       LYS   1 -10.418  13.043  -7.804
   10   2HD   LYS   1          1HD       LYS   1  -8.727  12.842  -7.388
   11   1HE   LYS   1          2HE       LYS   1  -8.733  10.566  -8.403
   12   2HE   LYS   1          1HE       LYS   1 -10.451  10.702  -8.740
   13   1HZ   LYS   1          1HZ       LYS   1  -9.133  12.936  -9.802
   14   2HZ   LYS   1          2HZ       LYS   1  -9.959  11.695 -10.617
   15   3HZ   LYS   1          3HZ       LYS   1  -8.302  11.537 -10.282
   16    HA   PRO   2           HA       PRO   2  -7.072   7.677  -1.743
   17   1HB   PRO   2          1HB       PRO   2  -8.395   5.314  -1.258
   18   2HB   PRO   2          2HB       PRO   2  -8.674   6.802  -0.351
   19   1HG   PRO   2          2HG       PRO   2 -10.235   5.779  -2.783
   20   2HG   PRO   2          1HG       PRO   2 -10.875   6.283  -1.213
   21   1HD   PRO   2          1HD       PRO   2 -10.888   8.057  -3.192
   22   2HD   PRO   2          2HD       PRO   2 -10.317   8.619  -1.607
   23    H    PHE   3           H        PHE   3  -5.854   5.799  -1.796
   24    HA   PHE   3           HA       PHE   3  -5.432   4.641  -4.529
   25   1HB   PHE   3          1HB       PHE   3  -3.479   5.442  -2.333
   26   2HB   PHE   3          2HB       PHE   3  -2.995   4.528  -3.748
   27    HD1  PHE   3           HD1      PHE   3  -3.587   5.540  -6.048
   28    HD2  PHE   3           HD2      PHE   3  -3.688   7.801  -2.443
   29    HE1  PHE   3           HE1      PHE   3  -3.476   7.617  -7.350
   30    HE2  PHE   3           HE2      PHE   3  -3.593   9.883  -3.741
   31    HZ   PHE   3           HZ       PHE   3  -3.494   9.799  -6.196
   32    H    GLN   4           H        GLN   4  -6.378   2.681  -4.382
   33    HA   GLN   4           HA       GLN   4  -5.900   1.112  -1.896
   34   1HB   GLN   4          1HB       GLN   4  -8.259   1.587  -2.956
   35   2HB   GLN   4          2HB       GLN   4  -7.842   0.284  -4.049
   36   1HG   GLN   4          2HG       GLN   4  -7.482  -1.232  -2.077
   37   2HG   GLN   4          1HG       GLN   4  -7.879   0.108  -1.004
   38   1HE2  GLN   4          2HE2      GLN   4  -9.190  -2.589  -2.199
   39   2HE2  GLN   4          1HE2      GLN   4 -10.831  -2.150  -2.265
   40    H    CYS   5           H        CYS   5  -5.555  -1.032  -1.945
   41    HA   CYS   5           HA       CYS   5  -3.651  -2.014  -3.968
   42   1HB   CYS   5          1HB       CYS   5  -2.774  -1.891  -1.738
   43   2HB   CYS   5          2HB       CYS   5  -4.174  -2.736  -1.099
   44    H    LYS   6           H        LYS   6  -4.880  -3.247  -5.441
   45    HA   LYS   6           HA       LYS   6  -7.237  -4.737  -4.395
   46   1HB   LYS   6          1HB       LYS   6  -7.328  -3.320  -6.554
   47   2HB   LYS   6          2HB       LYS   6  -6.285  -4.527  -7.284
   48   1HG   LYS   6          2HG       LYS   6  -7.983  -6.299  -6.849
   49   2HG   LYS   6          1HG       LYS   6  -8.969  -5.164  -5.957
   50   1HD   LYS   6          2HD       LYS   6  -9.897  -5.482  -8.187
   51   2HD   LYS   6          1HD       LYS   6  -9.314  -3.839  -8.039
   52   1HE   LYS   6          2HE       LYS   6  -7.250  -4.425  -9.265
   53   2HE   LYS   6          1HE       LYS   6  -7.739  -6.116  -9.329
   54   1HZ   LYS   6          1HZ       LYS   6  -9.824  -4.545 -10.331
   55   2HZ   LYS   6          2HZ       LYS   6  -8.863  -5.678 -11.146
   56   3HZ   LYS   6          3HZ       LYS   6  -8.382  -4.050 -11.079
   57    H    THR   7           H        THR   7  -4.984  -5.517  -3.379
   58    HA   THR   7           HA       THR   7  -4.369  -8.166  -4.586
   59    HB   THR   7           HB       THR   7  -2.462  -6.530  -2.791
   60    HG1  THR   7           HG1      THR   7  -3.180  -6.207  -5.388
   61   1HG2  THR   7          1HG2      THR   7  -1.988  -8.762  -4.854
   62   2HG2  THR   7          2HG2      THR   7  -2.045  -9.051  -3.121
   63   3HG2  THR   7          3HG2      THR   7  -0.778  -8.047  -3.811
   64    H    CYS   8           H        CYS   8  -4.797  -6.054  -1.766
   65    HA   CYS   8           HA       CYS   8  -5.728  -8.446  -0.201
   66   1HB   CYS   8          1HB       CYS   8  -4.880  -7.416   1.825
   67   2HB   CYS   8          2HB       CYS   8  -3.573  -7.570   0.652
   68    H    GLN   9           H        GLN   9  -6.114  -5.096  -0.857
   69    HA   GLN   9           HA       GLN   9  -8.145  -3.896  -1.129
   70   1HB   GLN   9          1HB       GLN   9  -9.365  -5.733   1.039
   71   2HB   GLN   9          2HB       GLN   9 -10.184  -4.438   0.228
   72   1HG   GLN   9          2HG       GLN   9  -9.088  -6.847  -1.291
   73   2HG   GLN   9          1HG       GLN   9 -10.756  -6.643  -0.787
   74   1HE2  GLN   9          2HE2      GLN   9  -8.571  -5.996  -3.302
   75   2HE2  GLN   9          1HE2      GLN   9  -9.497  -4.840  -4.132
   76    H    ARG  10           H        ARG  10  -6.100  -2.981  -0.048
   77    HA   ARG  10           HA       ARG  10  -6.813  -1.701   2.584
   78   1HB   ARG  10          1HB       ARG  10  -4.845  -3.264   2.640
   79   2HB   ARG  10          2HB       ARG  10  -4.066  -2.268   1.411
   80   1HG   ARG  10          2HG       ARG  10  -4.050  -0.343   2.957
   81   2HG   ARG  10          1HG       ARG  10  -4.877  -1.300   4.182
   82   1HD   ARG  10          2HD       ARG  10  -2.997  -2.893   4.260
   83   2HD   ARG  10          1HD       ARG  10  -2.213  -2.066   2.933
   84    HE   ARG  10           HE       ARG  10  -2.076  -0.051   4.502
   85   1HH1  ARG  10          1HH1      ARG  10  -3.549  -1.167   6.787
   86   2HH1  ARG  10          2HH1      ARG  10  -2.295  -1.812   7.793
   87   1HH2  ARG  10          2HH2      ARG  10   0.069  -1.789   5.212
   88   2HH2  ARG  10          1HH2      ARG  10  -0.192  -2.167   6.884
   89    H    LYS  11           H        LYS  11  -6.602   0.612   2.609
   90    HA   LYS  11           HA       LYS  11  -6.129   1.785  -0.112
   91   1HB   LYS  11          1HB       LYS  11  -7.735   3.459   0.388
   92   2HB   LYS  11          2HB       LYS  11  -8.426   1.945   0.892
   93   1HG   LYS  11          2HG       LYS  11  -7.844   2.340   3.243
   94   2HG   LYS  11          1HG       LYS  11  -7.051   3.851   2.826
   95   1HD   LYS  11          2HD       LYS  11  -9.181   4.764   1.957
   96   2HD   LYS  11          1HD       LYS  11  -9.999   3.258   2.345
   97   1HE   LYS  11          2HE       LYS  11  -9.463   3.597   4.759
   98   2HE   LYS  11          1HE       LYS  11  -8.633   5.096   4.360
   99   1HZ   LYS  11          1HZ       LYS  11 -11.166   5.170   3.192
  100   2HZ   LYS  11          2HZ       LYS  11 -10.543   6.139   4.440
  101   3HZ   LYS  11          3HZ       LYS  11 -11.352   4.691   4.811
  102    H    PHE  12           H        PHE  12  -5.317   4.031  -0.133
  103    HA   PHE  12           HA       PHE  12  -3.529   4.674   2.144
  104   1HB   PHE  12          1HB       PHE  12  -2.671   4.260  -0.772
  105   2HB   PHE  12          2HB       PHE  12  -1.644   4.994   0.442
  106    HD1  PHE  12           HD1      PHE  12  -0.907   3.700   2.409
  107    HD2  PHE  12           HD2      PHE  12  -3.148   1.795  -0.692
  108    HE1  PHE  12           HE1      PHE  12  -0.297   1.499   3.296
  109    HE2  PHE  12           HE2      PHE  12  -2.544  -0.384   0.199
  110    HZ   PHE  12           HZ       PHE  12  -1.110  -0.533   2.201
  111    H    SER  13           H        SER  13  -2.365   6.727   1.622
  112    HA   SER  13           HA       SER  13  -4.385   8.784   0.929
  113   1HB   SER  13          2HB       SER  13  -2.755  10.297   2.193
  114   2HB   SER  13          1HB       SER  13  -3.357   8.965   3.158
  115    HG   SER  13           HG       SER  13  -1.381   8.276   3.280
  116    H    ARG  14           H        ARG  14  -1.178   7.674   0.144
  117    HA   ARG  14           HA       ARG  14  -1.036   9.542  -2.194
  118   1HB   ARG  14          1HB       ARG  14   1.147   8.235  -0.533
  119   2HB   ARG  14          2HB       ARG  14   1.446   9.068  -2.054
  120   1HG   ARG  14          2HG       ARG  14   0.566  11.164  -1.139
  121   2HG   ARG  14          1HG       ARG  14   0.147  10.355   0.366
  122   1HD   ARG  14          2HD       ARG  14   2.450   9.931   0.890
  123   2HD   ARG  14          1HD       ARG  14   3.024  10.438  -0.670
  124    HE   ARG  14           HE       ARG  14   2.199  12.751  -0.041
  125   1HH1  ARG  14          2HH2      ARG  14   4.439  11.458   1.732
  126   2HH1  ARG  14          1HH2      ARG  14   3.971  12.071   3.286
  127   1HH2  ARG  14          1HH1      ARG  14   0.802  13.054   2.156
  128   2HH2  ARG  14          2HH1      ARG  14   1.855  13.000   3.531
  129    H    SER  15           H        SER  15   0.422   8.581  -3.943
  130    HA   SER  15           HA       SER  15  -0.590   5.840  -4.576
  131   1HB   SER  15          2HB       SER  15  -0.251   6.494  -6.951
  132   2HB   SER  15          1HB       SER  15  -1.077   7.783  -6.112
  133    HG   SER  15           HG       SER  15   1.433   7.773  -7.146
  134    H    ASP  16           H        ASP  16   1.860   6.984  -3.066
  135    HA   ASP  16           HA       ASP  16   3.983   5.263  -4.276
  136   1HB   ASP  16          1HB       ASP  16   5.521   6.800  -2.828
  137   2HB   ASP  16          2HB       ASP  16   4.805   7.537  -4.257
  138    H    HIS  17           H        HIS  17   2.124   6.231  -1.527
  139    HA   HIS  17           HA       HIS  17   3.376   4.572   0.479
  140   1HB   HIS  17          1HB       HIS  17   0.646   5.938   0.226
  141   2HB   HIS  17          2HB       HIS  17   1.006   4.916   1.604
  142    HD1  HIS  17           HD1      HIS  17   0.547   7.643   2.459
  143    HD2  HIS  17           HD2      HIS  17   4.269   6.667   1.085
  144    HE1  HIS  17           HE1      HIS  17   2.087   9.301   3.385
  145    H    LEU  18           H        LEU  18   1.066   4.179  -2.020
  146    HA   LEU  18           HA       LEU  18   0.002   1.603  -1.214
  147   1HB   LEU  18          1HB       LEU  18  -1.360   3.090  -2.596
  148   2HB   LEU  18          2HB       LEU  18  -0.082   3.209  -3.805
  149    HG   LEU  18           HG       LEU  18  -0.360   0.710  -4.222
  150   1HD1  LEU  18          1HD1      LEU  18  -2.832   0.999  -2.528
  151   2HD1  LEU  18          2HD1      LEU  18  -1.394   0.079  -2.089
  152   3HD1  LEU  18          3HD1      LEU  18  -2.358  -0.397  -3.471
  153   1HD2  LEU  18          1HD2      LEU  18  -1.435   2.439  -5.685
  154   2HD2  LEU  18          2HD2      LEU  18  -2.844   2.435  -4.633
  155   3HD2  LEU  18          3HD2      LEU  18  -2.433   1.002  -5.553
  156    H    LYS  19           H        LYS  19   2.329   2.742  -3.668
  157    HA   LYS  19           HA       LYS  19   3.033   0.243  -4.773
  158   1HB   LYS  19          1HB       LYS  19   4.847   2.658  -4.239
  159   2HB   LYS  19          2HB       LYS  19   5.280   1.330  -5.288
  160   1HG   LYS  19          2HG       LYS  19   2.871   3.124  -5.684
  161   2HG   LYS  19          1HG       LYS  19   4.394   3.337  -6.527
  162   1HD   LYS  19          2HD       LYS  19   4.088   0.935  -7.400
  163   2HD   LYS  19          1HD       LYS  19   2.475   0.963  -6.722
  164   1HE   LYS  19          2HE       LYS  19   3.537   2.817  -8.882
  165   2HE   LYS  19          1HE       LYS  19   2.321   1.566  -9.074
  166   1HZ   LYS  19          1HZ       LYS  19   1.518   3.308  -7.018
  167   2HZ   LYS  19          2HZ       LYS  19   0.775   3.000  -8.516
  168   3HZ   LYS  19          3HZ       LYS  19   1.950   4.216  -8.375
  169    H    THR  20           H        THR  20   4.829   1.965  -2.278
  170    HA   THR  20           HA       THR  20   6.643   0.072  -1.460
  171    HB   THR  20           HB       THR  20   5.077   1.983   0.392
  172    HG1  THR  20           HG1      THR  20   5.857   3.106  -1.259
  173   1HG2  THR  20          1HG2      THR  20   7.997   1.005   0.426
  174   2HG2  THR  20          2HG2      THR  20   6.778   0.359   1.514
  175   3HG2  THR  20          3HG2      THR  20   7.241   2.048   1.623
  176    H    HIS  21           H        HIS  21   3.311   0.361  -0.467
  177    HA   HIS  21           HA       HIS  21   3.277  -1.752   1.435
  178   1HB   HIS  21          1HB       HIS  21   1.470  -0.203   1.560
  179   2HB   HIS  21          2HB       HIS  21   1.090  -0.322  -0.141
  180    HD1  HIS  21           HD1      HIS  21   0.880  -2.416   2.953
  181    HD2  HIS  21           HD2      HIS  21  -0.607  -2.415  -0.872
  182    HE1  HIS  21           HE1      HIS  21  -0.776  -4.252   2.836
  183    H    THR  22           H        THR  22   2.032  -1.853  -1.917
  184    HA   THR  22           HA       THR  22   1.331  -4.585  -1.893
  185    HB   THR  22           HB       THR  22   2.187  -2.958  -4.336
  186    HG1  THR  22           HG1      THR  22   0.234  -2.678  -2.530
  187   1HG2  THR  22          1HG2      THR  22   0.117  -5.202  -4.061
  188   2HG2  THR  22          2HG2      THR  22   1.699  -5.445  -4.781
  189   3HG2  THR  22          3HG2      THR  22   0.548  -4.360  -5.534
  190    H    ARG  23           H        ARG  23   4.417  -3.251  -1.796
  191    HA   ARG  23           HA       ARG  23   5.713  -5.546  -3.112
  192   1HB   ARG  23          1HB       ARG  23   6.855  -3.082  -1.700
  193   2HB   ARG  23          2HB       ARG  23   7.849  -4.281  -2.487
  194   1HG   ARG  23          2HG       ARG  23   5.694  -2.663  -3.921
  195   2HG   ARG  23          1HG       ARG  23   7.384  -2.213  -3.881
  196   1HD   ARG  23          2HD       ARG  23   6.284  -4.798  -5.088
  197   2HD   ARG  23          1HD       ARG  23   6.833  -3.388  -5.980
  198    HE   ARG  23           HE       ARG  23   9.103  -3.769  -4.946
  199   1HH1  ARG  23          1HH1      ARG  23   7.019  -6.304  -4.128
  200   2HH1  ARG  23          2HH1      ARG  23   8.116  -7.561  -4.582
  201   1HH2  ARG  23          2HH2      ARG  23  10.427  -5.362  -5.985
  202   2HH2  ARG  23          1HH2      ARG  23  10.074  -7.021  -5.636
  203    H    THR  24           H        THR  24   4.068  -6.020  -1.050
  204    HA   THR  24           HA       THR  24   5.696  -7.288   1.078
  205    HB   THR  24           HB       THR  24   2.937  -5.930   1.431
  206    HG1  THR  24           HG1      THR  24   5.491  -5.042   1.392
  207   1HG2  THR  24          1HG2      THR  24   4.969  -6.943   3.493
  208   2HG2  THR  24          2HG2      THR  24   3.499  -7.816   3.095
  209   3HG2  THR  24          3HG2      THR  24   3.401  -6.228   3.836
  210    H    HIS  25           H        HIS  25   3.488  -7.329  -1.424
  211    HA   HIS  25           HA       HIS  25   2.327 -10.003  -0.816
  212   1HB   HIS  25          1HB       HIS  25   1.619  -7.980  -3.015
  213   2HB   HIS  25          2HB       HIS  25   0.802  -9.501  -2.732
  214    HD1  HIS  25           HD1      HIS  25   0.179  -9.380   0.166
  215    HD2  HIS  25           HD2      HIS  25  -0.119  -6.042  -2.194
  216    HE1  HIS  25           HE1      HIS  25  -1.390  -7.858   1.317
  217    H    THR  26           H        THR  26   3.954  -7.971  -3.108
  218    HA   THR  26           HA       THR  26   4.854 -10.217  -4.791
  219    HB   THR  26           HB       THR  26   5.417  -7.211  -5.169
  220    HG1  THR  26           HG1      THR  26   3.317  -7.343  -5.033
  221   1HG2  THR  26          1HG2      THR  26   4.987  -9.506  -7.179
  222   2HG2  THR  26          2HG2      THR  26   6.577  -8.900  -6.743
  223   3HG2  THR  26          3HG2      THR  26   5.436  -7.855  -7.573
  224    H    GLY  27           H        GLY  27   5.949  -7.834  -2.568
  225   1HA   GLY  27          1HA       GLY  27   8.762  -8.866  -2.681
  226   2HA   GLY  27          2HA       GLY  27   8.310  -7.262  -2.128
  227    H    GLU  28           H        GLU  28   7.286 -10.591  -1.341
  228    HA   GLU  28           HA       GLU  28   7.345  -9.946   1.515
  229   1HB   GLU  28          1HB       GLU  28   5.874 -11.705   1.718
  230   2HB   GLU  28          2HB       GLU  28   5.375 -10.997   0.221
  231   1HG   GLU  28          2HG       GLU  28   7.189 -13.446   0.307
  232   2HG   GLU  28          1HG       GLU  28   5.453 -13.563   0.283
  233    H    LYS  29           H        LYS  29   8.196 -11.785   2.887
  234    HA   LYS  29           HA       LYS  29  10.667 -12.975   1.674
  235   1HB   LYS  29          1HB       LYS  29  11.800 -12.550   3.830
  236   2HB   LYS  29          2HB       LYS  29  11.190 -11.085   3.130
  237   1HG   LYS  29          2HG       LYS  29  10.698 -10.925   5.462
  238   2HG   LYS  29          1HG       LYS  29   9.176 -11.203   4.656
  239   1HD   LYS  29          2HD       LYS  29   9.398 -12.517   6.748
  240   2HD   LYS  29          1HD       LYS  29   9.151 -13.568   5.384
  241   1HE   LYS  29          2HE       LYS  29  11.650 -13.997   5.335
  242   2HE   LYS  29          1HE       LYS  29  11.831 -12.936   6.722
  243   1HZ   LYS  29          1HZ       LYS  29   9.834 -14.800   7.291
  244   2HZ   LYS  29          2HZ       LYS  29  11.359 -14.628   8.016
  245   3HZ   LYS  29          3HZ       LYS  29  11.171 -15.639   6.667