*HEADER    TRANSFERASE                             23-JUN-04   1W1N
*TITLE     THE SOLUTION STRUCTURE OF THE FATC DOMAIN OF THE PROTEIN
*TITLE    2 KINASE TOR1 FROM YEAST
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: PHOSPHATIDYLINOSITOL 3-KINASE TOR1;
*COMPND   3 SYNONYM: PI3-KINASE, PTDINS-3-KINASE, PI3K;
*COMPND   4 CHAIN: A;
*COMPND   5 FRAGMENT: FATC, RESIDUES 2438-2470;
*COMPND   6 EC: 2.7.1.137;
*COMPND   7 ENGINEERED: YES;
*COMPND   8 OTHER_DETAILS: DISULFIDE BOND BETWEEN RESIDUES C2460
*COMPND   9  (23) AND C2467 (30)
*SOURCE    MOL_ID: 1;
*SOURCE   2 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   3 EXPRESSION_SYSTEM_STRAIN: ROSETTA DE3;
*SOURCE   4 EXPRESSION_SYSTEM_VECTOR: PGEV2;
*SOURCE   5 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
*SOURCE   6 ORGANISM_COMMON: BAKER'S YEAST
*KEYWDS    TOR, TARGET OF RAPAMYCIN, SER/THR KINASE, REDOX-REGULATION,
*KEYWDS   2 DISULFIDE BOND, NMR, TRANSFERASE
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    S.A.DAMES,J.M.MULET,K.RATHGEB-SZABO,M.N.HALL,S.GRZESIEK




#NMR-restraints for the yeast TOR1 FATC domain (residues 2438-2470)
#
#NOE-distance restrains
#
#assigned:
#
#intraresidue:
#
assign (resid 1 and name HD2#) (resid 1 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.0
assign (resid 3 and name HN) (resid 3 and name HB#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.3
assign (resid 3 and name HN) (resid 3 and name HB#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.4
assign (resid 3 and name HN) (resid 3 and name HD2#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.5
assign (resid 4 and name HN) (resid 4 and name HA) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.6
assign (resid 4 and name HN) (resid 4 and name HB#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.8
assign (resid 4 and name HN) (resid 4 and name HB#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.9
assign (resid 5 and name HN) (resid 5 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.13
assign (resid 5 and name HN) (resid 5 and name HB) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.18
assign (resid 5 and name HN) (resid 5 and name HG##) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.19
assign (resid 7 and name HN) (resid 7 and name HA) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.21
assign (resid 8 and name HE2#) (resid 8 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.37
assign (resid 8 and name HE2#) (resid 8 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.38
assign (resid 8 and name HN) (resid 8 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.31
assign (resid 8 and name HN) (resid 8 and name HB1) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.34
assign (resid 8 and name HN) (resid 8 and name HG#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.33
assign (resid 9 and name HN) (resid 9 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.42
assign (resid 9 and name HN) (resid 9 and name HG##) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.46
assign (resid 10 and name HN) (resid 10 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.48
assign (resid 10 and name HN) (resid 10 and name HB#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.52
assign (resid 10 and name HN) (resid 10 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.53
assign (resid 11 and name HN) (resid 11 and name HA) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.58
assign (resid 11 and name HN) (resid 11 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.61
assign (resid 11 and name HN) (resid 11 and name HB2) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.62
assign (resid 11 and name HN) (resid 11 and name HD#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.63
assign (resid 11 and name HN) (resid 11 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.64
assign (resid 11 and name HN) (resid 11 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.65
assign (resid 12 and name HN) (resid 12 and name HA) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.68
assign (resid 12 and name HN) (resid 12 and name HB1) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.73
assign (resid 12 and name HN) (resid 12 and name HB2) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.71
assign (resid 12 and name HN) (resid 12 and name HD1#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.75
assign (resid 12 and name HN) (resid 12 and name HD2#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.74
assign (resid 12 and name HN) (resid 12 and name HG) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.72
assign (resid 13 and name HN) (resid 13 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.85
assign (resid 13 and name HN) (resid 13 and name HB) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.86
assign (resid 13 and name HN) (resid 13 and name HD1#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.92
assign (resid 13 and name HN) (resid 13 and name HG11) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.89
assign (resid 13 and name HN) (resid 13 and name HG12) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.90
assign (resid 13 and name HN) (resid 13 and name HG2#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.80
assign (resid 14 and name HE2#) (resid 14 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.103
assign (resid 14 and name HE2#) (resid 14 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.104
assign (resid 14 and name HN) (resid 14 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.95
assign (resid 14 and name HN) (resid 14 and name HB1) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.99
assign (resid 14 and name HN) (resid 14 and name HB2) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.100
assign (resid 14 and name HN) (resid 14 and name HG#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.98
assign (resid 15 and name HE2#) (resid 15 and name HG#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.110
assign (resid 15 and name HE2#) (resid 15 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.112
assign (resid 15 and name HN) (resid 15 and name HG#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.106
assign (resid 16 and name HN) (resid 16 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.115
assign (resid 16 and name HN) (resid 16 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.120
assign (resid 17 and name HN) (resid 17 and name HG2#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.125
assign (resid 18 and name HN) (resid 18 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.127
assign (resid 18 and name HN) (resid 18 and name HB1) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.129
assign (resid 18 and name HN) (resid 18 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.130
assign (resid 19 and name HN) (resid 19 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.139
assign (resid 19 and name HN) (resid 19 and name HB) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.140
assign (resid 19 and name HN) (resid 19 and name HG11) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.141
assign (resid 19 and name HN) (resid 19 and name HG12) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.142
assign (resid 20 and name HN) (resid 20 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.146
assign (resid 20 and name HN) (resid 20 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.149
assign (resid 20 and name HN) (resid 20 and name HB#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.150
assign (resid 20 and name HN) (resid 20 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.148
assign (resid 21 and name HN) (resid 21 and name HA) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.163
assign (resid 21 and name HN) (resid 21 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.169
assign (resid 21 and name HN) (resid 21 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.165
assign (resid 21 and name HN) (resid 21 and name HG#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.170
assign (resid 21 and name HN) (resid 21 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.171
assign (resid 22 and name HN)((resid 22 and name HG)) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.180
assign (resid 22 and name HN) (resid 22 and name HB1) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.181
assign (resid 22 and name HN) (resid 22 and name HD1#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.183
assign (resid 22 and name HN) (resid 22 and name HD2#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.184
assign (resid 23 and name HN) (resid 23 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.187
assign (resid 23 and name HN) (resid 23 and name HB1) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.190
assign (resid 23 and name HN) (resid 23 and name HB2) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.191
assign (resid 24 and name HE2#) (resid 24 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.205
assign (resid 24 and name HE2#) (resid 24 and name HG#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.206
assign (resid 24 and name HE2#) (resid 24 and name HG#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.207
assign (resid 24 and name HN) (resid 24 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.198
assign (resid 24 and name HN) (resid 24 and name HB1) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.204
assign (resid 24 and name HN) (resid 24 and name HB2) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.203
assign (resid 24 and name HN) (resid 24 and name HG#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.202
assign (resid 25 and name HN) (resid 25 and name HA) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.210
assign (resid 25 and name HN) (resid 25 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.212
assign (resid 25 and name HN) (resid 25 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.213
assign (resid 26 and name HN) (resid 26 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.219
assign (resid 26 and name HN) (resid 26 and name HB1) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.223
assign (resid 26 and name HN) (resid 26 and name HB2) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.224
assign (resid 26 and name HN) (resid 26 and name HD#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.216
assign (resid 27 and name HN) (resid 27 and name HA) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.229
assign (resid 27 and name HN) (resid 27 and name HB) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.232
assign (resid 27 and name HN) (resid 27 and name HD1#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.236
assign (resid 27 and name HN) (resid 27 and name HG11) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.233
assign (resid 27 and name HN) (resid 27 and name HG12) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.234
assign (resid 27 and name HN) (resid 27 and name HG2#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.235
assign (resid 28 and name HN) (resid 28 and name HA#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.240
assign (resid 29 and name HE1) (resid 29 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.259
assign (resid 29 and name HE1) (resid 29 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.261
assign (resid 29 and name HN) (resid 29 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.247
assign (resid 29 and name HN) (resid 29 and name HB1) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.251
assign (resid 29 and name HN) (resid 29 and name HB2) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.250
assign (resid 29 and name HN) (resid 29 and name HD1) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.245
assign (resid 29 and name HN) (resid 29 and name HE3) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.244
assign (resid 30 and name HN) (resid 30 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.263
assign (resid 30 and name HN) (resid 30 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.264
assign (resid 32 and name HN) (resid 32 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.268
assign (resid 32 and name HN) (resid 32 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.270
assign (resid 32 and name HN) (resid 32 and name HB2) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.271
assign (resid 32 and name HN) (resid 32 and name HD#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.267
assign (resid 32 and name HN) (resid 32 and name HE#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.265
assign (resid 33 and name HE1) (resid 33 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.289
assign (resid 33 and name HN) (resid 33 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.281
assign (resid 33 and name HN) (resid 33 and name HB2) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.282
assign (resid 33 and name HN) (resid 33 and name HE3) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.285
assign (resid 1 and name HA) (resid 1 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.0
assign (resid 1 and name HB#) (resid 1 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.1
assign (resid 1 and name HB#) (resid 1 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.2
assign (resid 2 and name HA) (resid 2 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.4
assign (resid 2 and name HA) (resid 2 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.5
assign (resid 2 and name HB#) (resid 2 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.8
assign (resid 2 and name HB#) (resid 2 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.9
assign (resid 2 and name HA) (resid 2 and name HG#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.3
assign (resid 2 and name HG#) (resid 2 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.12
assign (resid 3 and name HB#) (resid 3 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.17
assign (resid 3 and name HB#) (resid 3 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.18
assign (resid 3 and name HA) (resid 3 and name HD1#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.16
assign (resid 3 and name HD1#) (resid 3 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.25
assign (resid 3 and name HD2#) (resid 3 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.24
assign (resid 3 and name HB#) (resid 3 and name HD2#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.19
assign (resid 3 and name HB#) (resid 3 and name HD2#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.20
assign (resid 3 and name HG) (resid 3 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.21
assign (resid 4 and name HA) (resid 4 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.28
assign (resid 4 and name HB#) (resid 4 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.31
assign (resid 4 and name HB#) (resid 4 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.32
assign (resid 5 and name HB) (resid 5 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.35
assign (resid 5 and name HA) (resid 5 and name HB) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.57
assign (resid 5 and name HA) (resid 5 and name HG##) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.59
assign (resid 5 and name HG2#) (resid 5 and name HB) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.43
assign (resid 5 and name HG1#) (resid 5 and name HB) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.51
assign (resid 6 and name HA) (resid 6 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.64
assign (resid 6 and name HA) (resid 6 and name HB#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.66
assign (resid 6 and name HB#) (resid 6 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.68
assign (resid 6 and name HB#) (resid 6 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.72
assign (resid 6 and name HA) (resid 6 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.62
assign (resid 6 and name HA) (resid 6 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.63
assign (resid 6 and name HB#) (resid 6 and name HD#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.69
assign (resid 6 and name HB#) (resid 6 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.70
assign (resid 6 and name HB#) (resid 6 and name HD#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.73
assign (resid 6 and name HB#) (resid 6 and name HD#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.74
assign (resid 6 and name HD#) (resid 6 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.80
assign (resid 6 and name HA) (resid 6 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.65
assign (resid 6 and name HG#) (resid 6 and name HB#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.77
assign (resid 7 and name HA) (resid 7 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.87
assign (resid 7 and name HB#) (resid 7 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.89
assign (resid 7 and name HA) (resid 7 and name HG#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.86
assign (resid 7 and name HG#) (resid 7 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.91
assign (resid 7 and name HG#) (resid 7 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.92
assign (resid 8 and name HA) (resid 8 and name HB1) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.96
assign (resid 8 and name HB1) (resid 8 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.101
assign (resid 8 and name HB2) (resid 8 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.102
assign (resid 8 and name HA) (resid 8 and name HG#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.95
assign (resid 8 and name HG#) (resid 8 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.104
assign (resid 9 and name HA) (resid 9 and name HB) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.109
assign (resid 9 and name HB) (resid 9 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.114
assign (resid 9 and name HA) (resid 9 and name HG##) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.112
assign (resid 9 and name HG2#) (resid 9 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.115
assign (resid 10 and name HA) (resid 10 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.128
assign (resid 10 and name HA) (resid 10 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.129
assign (resid 10 and name HB#) (resid 10 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.135
assign (resid 10 and name HB#) (resid 10 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.136
assign (resid 11 and name HB1) (resid 11 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.150
assign (resid 11 and name HA) (resid 11 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.144
assign (resid 11 and name HB2) (resid 11 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.151
assign (resid 11 and name HA) (resid 11 and name HD#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.145
assign (resid 11 and name HD#) (resid 11 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.160
assign (resid 11 and name HA) (resid 11 and name HE#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.142
assign (resid 11 and name HB1) (resid 11 and name HE#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.152
assign (resid 11 and name HE#) (resid 11 and name HB1) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.174
assign (resid 11 and name HB2) (resid 11 and name HE#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.153
assign (resid 11 and name HE#) (resid 11 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.175
assign (resid 11 and name HD#) (resid 11 and name HE#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.161
assign (resid 11 and name HA) (resid 11 and name HG#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.146
assign (resid 11 and name HG#) (resid 11 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.155
assign (resid 11 and name HG#) (resid 11 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.156
assign (resid 11 and name HG#) (resid 11 and name HE#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.157
assign (resid 11 and name HG#) (resid 11 and name HE#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.158
assign (resid 12 and name HA) (resid 12 and name HB1) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.178
assign (resid 12 and name HB1) (resid 12 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.185
assign (resid 12 and name HA) (resid 12 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.177
assign (resid 12 and name HB2) (resid 12 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.184
assign (resid 12 and name HA) (resid 12 and name HD1#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.179
assign (resid 12 and name HD1#) (resid 12 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.199
assign (resid 12 and name HB1) (resid 12 and name HD##) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.189
assign (resid 12 and name HB2) (resid 12 and name HD##) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.188
assign (resid 12 and name HD1#) (resid 12 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.206
assign (resid 12 and name HD2#) (resid 12 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.192
assign (resid 12 and name HD2#) (resid 12 and name HB2) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.198
assign (resid 12 and name HG) (resid 12 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.190
assign (resid 13 and name HA) (resid 13 and name HB) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.207
assign (resid 13 and name HB) (resid 13 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.213
assign (resid 13 and name HD1#) (resid 13 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.225
assign (resid 13 and name HA) (resid 13 and name HG11) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.208
assign (resid 13 and name HG11) (resid 13 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.219
assign (resid 13 and name HB) (resid 13 and name HG11) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.216
assign (resid 13 and name HA) (resid 13 and name HG12) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.210
assign (resid 13 and name HG12) (resid 13 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.220
assign (resid 13 and name HB) (resid 13 and name HG12) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.217
assign (resid 13 and name HG2#) (resid 13 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.222
assign (resid 13 and name HB) (resid 13 and name HG2#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.218
assign (resid 14 and name HA) (resid 14 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.228
assign (resid 14 and name HG#) (resid 14 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.235
assign (resid 15 and name HA) (resid 15 and name HB1) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.242
assign (resid 15 and name HA) (resid 15 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.243
assign (resid 15 and name HA) (resid 15 and name HG#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.241
assign (resid 15 and name HG#) (resid 15 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.251
assign (resid 16 and name HA) (resid 16 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.255
assign (resid 16 and name HB#) (resid 16 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.260
assign (resid 17 and name HA) (resid 17 and name HG2#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.273
assign (resid 18 and name HA) (resid 18 and name HB1) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.290
assign (resid 18 and name HB1) (resid 18 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.297
assign (resid 18 and name HA) (resid 18 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.291
assign (resid 18 and name HB2) (resid 18 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.299
assign (resid 19 and name HA) (resid 19 and name HB) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.310
assign (resid 19 and name HB) (resid 19 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.316
assign (resid 19 and name HD1#) (resid 19 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.346
assign (resid 19 and name HD1#) (resid 19 and name HB) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.353
assign (resid 19 and name HA) (resid 19 and name HG11) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.312
assign (resid 19 and name HG11) (resid 19 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.321
assign (resid 19 and name HB) (resid 19 and name HG11) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.318
assign (resid 19 and name HG11) (resid 19 and name HD1#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.322
assign (resid 19 and name HD1#) (resid 19 and name HG11) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.355
assign (resid 19 and name HG12) (resid 19 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.323
assign (resid 19 and name HB) (resid 19 and name HG12) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.319
assign (resid 19 and name HG12) (resid 19 and name HD1#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.324
assign (resid 19 and name HD1#) (resid 19 and name HG12) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.357
assign (resid 19 and name HG2#) (resid 19 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.331
assign (resid 19 and name HG2#) (resid 19 and name HB) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.337
assign (resid 19 and name HG2#) (resid 19 and name HG11) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.339
assign (resid 19 and name HG2#) (resid 19 and name HG12) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.341
assign (resid 20 and name HA) (resid 20 and name HB#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.363
assign (resid 20 and name HA) (resid 20 and name HB#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.364
assign (resid 20 and name HB#) (resid 20 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.366
assign (resid 20 and name HB#) (resid 20 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.367
assign (resid 20 and name HA) (resid 20 and name HG#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.362
assign (resid 20 and name HG#) (resid 20 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.370
assign (resid 20 and name HG#) (resid 20 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.371
assign (resid 21 and name HA) (resid 21 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.383
assign (resid 21 and name HB#) (resid 21 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.388
assign (resid 21 and name HA) (resid 21 and name HD#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.379
assign (resid 21 and name HD#) (resid 21 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.401
assign (resid 21 and name HB#) (resid 21 and name HD#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.389
assign (resid 21 and name HD#) (resid 21 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.406
assign (resid 21 and name HA) (resid 21 and name HG#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.384
assign (resid 21 and name HA) (resid 21 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.385
assign (resid 21 and name HG#) (resid 21 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.394
assign (resid 21 and name HG#) (resid 21 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.397
assign (resid 21 and name HB#) (resid 21 and name HG#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.390
assign (resid 21 and name HB#) (resid 21 and name HG#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.391
assign (resid 21 and name HG#) (resid 21 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.393
assign (resid 21 and name HG#) (resid 21 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.396
assign (resid 21 and name HG#) (resid 21 and name HD#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.395
assign (resid 21 and name HG#) (resid 21 and name HD#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.398
assign (resid 21 and name HD#) (resid 21 and name HG#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.407
assign (resid 21 and name HD#) (resid 21 and name HG#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.408
assign (resid 22 and name HA) (resid 22 and name HB1) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.414
assign (resid 22 and name HB1) (resid 22 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.425
assign (resid 22 and name HA) (resid 22 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.412
assign (resid 22 and name HB2) (resid 22 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.419
assign (resid 22 and name HB2) (resid 22 and name HB1) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.421
assign (resid 22 and name HA) (resid 22 and name HD1#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.415
assign (resid 22 and name HD1#) (resid 22 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.440
assign (resid 22 and name HB1) (resid 22 and name HD1#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.427
assign (resid 22 and name HB2) (resid 22 and name HD1#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.422
assign (resid 22 and name HD1#) (resid 22 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.444
assign (resid 22 and name HA) (resid 22 and name HD2#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.416
assign (resid 22 and name HD2#) (resid 22 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.451
assign (resid 22 and name HB1) (resid 22 and name HD2#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.428
assign (resid 22 and name HB2) (resid 22 and name HD2#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.423
assign (resid 22 and name HD2#) (resid 22 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.455
assign (resid 22 and name HA) (resid 22 and name HG) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.413
assign (resid 22 and name HG) (resid 22 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.429
assign (resid 22 and name HB1) (resid 22 and name HG) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.426
assign (resid 22 and name HG) (resid 22 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.431
assign (resid 22 and name HG) (resid 22 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.430
assign (resid 22 and name HG) (resid 22 and name HD1#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.433
assign (resid 22 and name HD1#) (resid 22 and name HG) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.445
assign (resid 22 and name HG) (resid 22 and name HD2#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.434
assign (resid 22 and name HD2#) (resid 22 and name HG) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.456
assign (resid 23 and name HA) (resid 23 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.462
assign (resid 23 and name HB1) (resid 23 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.465
assign (resid 23 and name HA) (resid 23 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.463
assign (resid 23 and name HB2) (resid 23 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.469
assign (resid 24 and name HA) (resid 24 and name HB1) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.473
assign (resid 24 and name HA) (resid 24 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.472
assign (resid 24 and name HA) (resid 24 and name HG#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.471
assign (resid 24 and name HB1) (resid 24 and name HG#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.477
assign (resid 24 and name HG#) (resid 24 and name HB1) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.480
assign (resid 24 and name HB2) (resid 24 and name HG#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.476
assign (resid 24 and name HG#) (resid 24 and name HB2) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.479
assign (resid 25 and name HB1) (resid 25 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.482
assign (resid 25 and name HA) (resid 25 and name HB1) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.485
assign (resid 25 and name HB2) (resid 25 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.484
assign (resid 25 and name HA) (resid 25 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.486
assign (resid 25 and name HB2) (resid 25 and name HD2) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.483
assign (resid 26 and name HB1) (resid 26 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.493
assign (resid 26 and name HA) (resid 26 and name HB#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.489
assign (resid 26 and name HB2) (resid 26 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.494
assign (resid 26 and name HA) (resid 26 and name HD#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.487
assign (resid 26 and name HB1) (resid 26 and name HD#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.491
assign (resid 26 and name HB2) (resid 26 and name HD#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.492
assign (resid 26 and name HA) (resid 26 and name HE#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.488
assign (resid 27 and name HA) (resid 27 and name HB) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.496
assign (resid 27 and name HB) (resid 27 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.500
assign (resid 27 and name HD1#) (resid 27 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.522
assign (resid 27 and name HA) (resid 27 and name HG11) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.497
assign (resid 27 and name HG11) (resid 27 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.504
assign (resid 27 and name HB) (resid 27 and name HG11) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.501
assign (resid 27 and name HG11) (resid 27 and name HB) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.505
assign (resid 27 and name HA) (resid 27 and name HG12) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.498
assign (resid 27 and name HG12) (resid 27 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.507
assign (resid 27 and name HB) (resid 27 and name HG12) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.502
assign (resid 27 and name HG12) (resid 27 and name HB) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.508
assign (resid 27 and name HD1#) (resid 27 and name HG12) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.524
assign (resid 29 and name HA) (resid 29 and name HB1) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.531
assign (resid 29 and name HB1) (resid 29 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.538
assign (resid 29 and name HA) (resid 29 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.530
assign (resid 29 and name HB2) (resid 29 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.535
assign (resid 29 and name HA) (resid 29 and name HD1) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.528
assign (resid 29 and name HB1) (resid 29 and name HD1) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.537
assign (resid 29 and name HB2) (resid 29 and name HD1) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.534
assign (resid 29 and name HA) (resid 29 and name HE3) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.527
assign (resid 29 and name HB1) (resid 29 and name HE3) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.536
assign (resid 29 and name HB2) (resid 29 and name HE3) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.533
assign (resid 31 and name HA) (resid 31 and name HB#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.543
assign (resid 31 and name HA) (resid 31 and name HB#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.546
assign (resid 31 and name HB#) (resid 31 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.552
assign (resid 31 and name HB#) (resid 31 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.556
assign (resid 31 and name HD#) (resid 31 and name HA) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.566
assign (resid 31 and name HD#) (resid 31 and name HA) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.567
assign (resid 31 and name HB#) (resid 31 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.550
assign (resid 31 and name HB#) (resid 31 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.551
assign (resid 31 and name HA) (resid 31 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.545
assign (resid 31 and name HA) (resid 31 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.548
assign (resid 31 and name HB#) (resid 31 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.553
assign (resid 31 and name HB#) (resid 31 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.554
assign (resid 31 and name HB#) (resid 31 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.557
assign (resid 31 and name HB#) (resid 31 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.558
assign (resid 31 and name HG#) (resid 31 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.561
assign (resid 31 and name HG#) (resid 31 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.562
assign (resid 31 and name HG#) (resid 31 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.565
assign (resid 31 and name HG#) (resid 31 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.559
assign (resid 31 and name HG#) (resid 31 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.560
assign (resid 31 and name HG#) (resid 31 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.563
assign (resid 31 and name HG#) (resid 31 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.564
assign (resid 32 and name HA) (resid 32 and name HB1) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.570
assign (resid 32 and name HB1) (resid 32 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.575
assign (resid 32 and name HA) (resid 32 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.572
assign (resid 32 and name HB2) (resid 32 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.579
assign (resid 32 and name HA) (resid 32 and name HD#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.569
assign (resid 32 and name HB1) (resid 32 and name HD#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.574
assign (resid 32 and name HB2) (resid 32 and name HD#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.580
assign (resid 32 and name HA) (resid 32 and name HE#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.568
assign (resid 33 and name HA) (resid 33 and name HB1) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.583
assign (resid 33 and name HB1) (resid 33 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.590
assign (resid 33 and name HA) (resid 33 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.584
assign (resid 33 and name HB2) (resid 33 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.591
assign (resid 33 and name HA) (resid 33 and name HD1) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.581
assign (resid 33 and name HB1) (resid 33 and name HD1) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.587
assign (resid 33 and name HB2) (resid 33 and name HD1) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.589
assign (resid 33 and name HA) (resid 33 and name HE3) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.582
assign (resid 33 and name HB1) (resid 33 and name HE3) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.586
assign (resid 33 and name HB2) (resid 33 and name HE3) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.588
assign (resid 25 and name HD2) (resid 25 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_cnoearo_23n6l.0
assign (resid 26 and name HD#) (resid 26 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoearo_23n6l.4
assign (resid 26 and name HD#) (resid 26 and name HB#) 2.800 1.0 0.0 ! 	 y1fc_cnoearo_23n6l.6
assign (resid 26 and name HE#) (resid 26 and name HA) 5.500 3.7 0.0 ! 	 y1fc_cnoearo_23n6l.12
assign (resid 29 and name HD1) (resid 29 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoearo_23n6l.27
assign (resid 29 and name HD1) (resid 29 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_cnoearo_23n6l.29
assign (resid 29 and name HD1) (resid 29 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_cnoearo_23n6l.28
assign (resid 29 and name HE3) (resid 29 and name HA) 5.500 3.7 0.0 ! 	 y1fc_cnoearo_23n6l.24
assign (resid 29 and name HE3) (resid 29 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_cnoearo_23n6l.26
assign (resid 29 and name HE3) (resid 29 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_cnoearo_23n6l.25
assign (resid 32 and name HD#) (resid 32 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoearo_23n6l.33
assign (resid 32 and name HD#) (resid 32 and name HB1) 3.400 1.6 0.0 ! 	 y1fc_cnoearo_23n6l.34
assign (resid 32 and name HD#) (resid 32 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoearo_23n6l.35
assign (resid 32 and name HE#) (resid 32 and name HA) 5.500 3.7 0.0 ! 	 y1fc_cnoearo_23n6l.40
assign (resid 32 and name HE#) (resid 32 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_cnoearo_23n6l.41
assign (resid 33 and name HD1) (resid 33 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoearo_23n6l.47
assign (resid 33 and name HD1) (resid 33 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_cnoearo_23n6l.48
assign (resid 33 and name HD1) (resid 33 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_cnoearo_23n6l.49
assign (resid 33 and name HE3) (resid 33 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_cnoearo_23n6l.62
#
#sequential + medium range:
#
assign (resid 3 and name HN) (resid 2 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.2
assign (resid 4 and name HN) (resid 3 and name HA) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.7
assign (resid 4 and name HN) (resid 3 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.10
assign (resid 5 and name HN) (resid 4 and name HA) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.12
assign (resid 5 and name HN) (resid 4 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.16
assign (resid 5 and name HN) (resid 4 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.17
assign (resid 5 and name HN) (resid 6 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.14
assign (resid 5 and name HN) (resid 6 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.15
assign (resid 7 and name HN) (resid 5 and name HG##) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.27
assign (resid 7 and name HN) (resid 6 and name HB#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.26
assign (resid 7 and name HN) (resid 6 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.22
assign (resid 7 and name HN) (resid 6 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.23
assign (resid 7 and name HN) (resid 8 and name HN) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.28
assign (resid 8 and name HN) (resid 7 and name HN) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.30
!assign (resid 8 and name HN) (resid 7 and name HA) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.32
assign (resid 9 and name HN) (resid 8 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.45
assign (resid 9 and name HN) (resid 8 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.43
assign (resid 8 and name HN) (resid 9 and name HN) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.29
assign (resid 9 and name HN) (resid 8 and name HN) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.39
assign (resid 10 and name HN) (resid 7 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.50
assign (resid 10 and name HN) (resid 8 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.49
!assign (resid 10 and name HN) (resid 9 and name HA) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.51
assign (resid 10 and name HN) (resid 9 and name HB) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.54
assign (resid 10 and name HN) (resid 9 and name HG##) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.55
assign (resid 9 and name HN) (resid 10 and name HN) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.40
!assign (resid 11 and name HN) (resid 10 and name HA) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.57
assign (resid 11 and name HN) (resid 8 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.66
assign (resid 11 and name HN) (resid 10 and name HB#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.59
assign (resid 11 and name HN) (resid 10 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.60
assign (resid 11 and name HN) (resid 10 and name HN) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.56
!assign (resid 12 and name HN) (resid 11 and name HA) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.69
assign (resid 12 and name HN) (resid 9 and name HA) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.70
assign (resid 12 and name HN) (resid 11 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.77
assign (resid 12 and name HN) (resid 11 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.78
assign (resid 12 and name HN) (resid 11 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.79
assign (resid 13 and name HN) (resid 10 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.83
assign (resid 13 and name HN) (resid 12 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.88
assign (resid 13 and name HN) (resid 12 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.87
assign (resid 13 and name HN) (resid 12 and name HD2#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.91
assign (resid 12 and name HN) (resid 13 and name HN) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.67
assign (resid 13 and name HN) (resid 12 and name HN) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.82
!assign (resid 13 and name HN) (resid 12 and name HA) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.84
assign (resid 14 and name HN) (resid 10 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.306
assign (resid 14 and name HN) (resid 11 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.96
!assign (resid 14 and name HN) (resid 13 and name HA) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.97
assign (resid 14 and name HN) (resid 12 and name HN) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.93
assign (resid 14 and name HN) (resid 13 and name HB) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.101
assign (resid 14 and name HN) (resid 13 and name HG11) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.308
assign (resid 13 and name HN) (resid 14 and name HN) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.81
assign (resid 14 and name HN) (resid 13 and name HN) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.94
assign (resid 15 and name HN) (resid 12 and name HD##) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.109
assign (resid 16 and name HN) (resid 13 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.117
assign (resid 16 and name HN) (resid 15 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.118
assign (resid 16 and name HN) (resid 15 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.119
assign (resid 16 and name HN) (resid 15 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.298
assign (resid 17 and name HN) (resid 13 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.294
assign (resid 17 and name HN) (resid 13 and name HG2#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.295
assign (resid 15 and name HN) (resid 17 and name HN) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.309
assign (resid 17 and name HN) (resid 16 and name HB#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.124
assign (resid 17 and name HN) (resid 16 and name HN) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.121
!assign (resid 17 and name HN) (resid 16 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.122
assign (resid 18 and name HN) (resid 17 and name HG2#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.132
assign (resid 18 and name HN) (resid 19 and name HD1#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.133
assign (resid 19 and name HN) (resid 18 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.137
assign (resid 19 and name HN) (resid 18 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.138
assign (resid 18 and name HN) (resid 19 and name HN) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.126
assign (resid 19 and name HN) (resid 18 and name HN) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.134
!assign (resid 19 and name HN) (resid 18 and name HA) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.135
assign (resid 19 and name HN) (resid 20 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.293
assign (resid 20 and name HN) (resid 19 and name HA) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.147
assign (resid 20 and name HN) (resid 19 and name HB) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.151
assign (resid 20 and name HN) (resid 17 and name HA) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.157
assign (resid 21 and name HN) (resid 17 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.162
assign (resid 21 and name HN) (resid 18 and name HA) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.161
assign (resid 21 and name HN) (resid 20 and name HA) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.164
assign (resid 21 and name HN) (resid 20 and name HB#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.167
assign (resid 21 and name HN) (resid 20 and name HB#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.168
assign (resid 20 and name HN) (resid 21 and name HN) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.144
assign (resid 21 and name HN) (resid 20 and name HN) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.159
assign (resid 22 and name HN) (resid 19 and name HA) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.177
assign (resid 22 and name HN) (resid 20 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.300
assign (resid 20 and name HN) (resid 22 and name HN) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.156
assign (resid 22 and name HN) (resid 20 and name HN) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.173
assign (resid 22 and name HN) (resid 21 and name HB#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.178
assign (resid 21 and name HN) (resid 22 and name HN) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.160
assign (resid 22 and name HN) (resid 21 and name HN) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.174
assign (resid 23 and name HN) (resid 20 and name HA) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.189
assign (resid 21 and name HN) (resid 23 and name HN) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.158
assign (resid 23 and name HN) (resid 22 and name HA) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.188
assign (resid 23 and name HN) (resid 22 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.193
assign (resid 23 and name HN) (resid 22 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.192
assign (resid 22 and name HN) (resid 23 and name HN) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.172
assign (resid 23 and name HN) (resid 22 and name HN) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.185
assign (resid 24 and name HN) (resid 20 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.310
assign (resid 21 and name HN) (resid 24 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.166
assign (resid 22 and name HN) (resid 24 and name HN) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.175
assign (resid 23 and name HN) (resid 24 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.302
assign (resid 24 and name HN) (resid 23 and name HA) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.197
assign (resid 24 and name HN) (resid 21 and name HA) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.199
assign (resid 24 and name HN) (resid 23 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.200
assign (resid 24 and name HN) (resid 23 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.201
assign (resid 23 and name HN) (resid 24 and name HN) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.186
assign (resid 25 and name HN) (resid 24 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.211
assign (resid 25 and name HN) (resid 24 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.304
assign (resid 25 and name HN) (resid 24 and name HN) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.209
assign (resid 26 and name HN) (resid 23 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.217
assign (resid 26 and name HN) (resid 24 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.220
assign (resid 24 and name HN) (resid 26 and name HN) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.195
assign (resid 26 and name HN) (resid 25 and name HA) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.218
assign (resid 26 and name HN) (resid 25 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.221
assign (resid 26 and name HN) (resid 25 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.222
assign (resid 25 and name HN) (resid 26 and name HN) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.208
assign (resid 26 and name HN) (resid 25 and name HN) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.215
assign (resid 27 and name HN) (resid 26 and name HA) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.228
assign (resid 27 and name HN) (resid 26 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.230
assign (resid 27 and name HN) (resid 26 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.231
assign (resid 27 and name HN) (resid 26 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.227
assign (resid 26 and name HN) (resid 27 and name HN) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.214
assign (resid 27 and name HN) (resid 26 and name HN) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.226
assign (resid 28 and name HN) (resid 27 and name HB) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.241
assign (resid 28 and name HN) (resid 27 and name HG2#) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.242
assign (resid 27 and name HN) (resid 28 and name HN) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.225
assign (resid 28 and name HN) (resid 27 and name HN) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.237
assign (resid 29 and name HN) (resid 27 and name HG2#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.254
assign (resid 29 and name HN) (resid 28 and name HA#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.248
assign (resid 29 and name HN) (resid 28 and name HA#) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.249
assign (resid 28 and name HN) (resid 29 and name HN) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.238
assign (resid 29 and name HN) (resid 28 and name HN) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.243
assign (resid 30 and name HN) (resid 29 and name HA) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.262
assign (resid 29 and name HN) (resid 30 and name HN) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.246
assign (resid 29 and name HE1) (resid 31 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.260
assign (resid 32 and name HN) (resid 31 and name HA) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.269
assign (resid 32 and name HN) (resid 31 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.274
assign (resid 32 and name HN) (resid 31 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.275
assign (resid 32 and name HN) (resid 31 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.272
assign (resid 32 and name HN) (resid 31 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.276
assign (resid 32 and name HN) (resid 30 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.273
assign (resid 33 and name HE1) (resid 30 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.291
assign (resid 33 and name HN) (resid 32 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.280
assign (resid 33 and name HN) (resid 32 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.283
assign (resid 32 and name HN) (resid 33 and name HN) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.266
assign (resid 33 and name HN) (resid 32 and name HN) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.277
assign (resid 33 and name HN) (resid 31 and name HA) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.279
assign (resid 2 and name HA) (resid 3 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.6
assign (resid 2 and name HB#) (resid 3 and name HD1#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.11
assign (resid 3 and name HD1#) (resid 2 and name HB#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.27
assign (resid 3 and name HD1#) (resid 2 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.26
assign (resid 2 and name HA) (resid 3 and name HD2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.7
assign (resid 2 and name HB#) (resid 3 and name HD2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.10
assign (resid 3 and name HD2#) (resid 2 and name HB#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.23
assign (resid 2 and name HG#) (resid 3 and name HD2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.14
assign (resid 3 and name HD2#) (resid 2 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.22
assign (resid 5 and name HG1#) (resid 3 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.54
assign (resid 5 and name HG2#) (resid 4 and name HA) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.41
assign (resid 4 and name HA) (resid 5 and name HG##) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.30
assign (resid 4 and name HB#) (resid 5 and name HG##) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.33
assign (resid 5 and name HG1#) (resid 6 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.53
assign (resid 6 and name HB#) (resid 5 and name HG1#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.71
assign (resid 5 and name HA) (resid 6 and name HD#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.55
assign (resid 5 and name HA) (resid 6 and name HD#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.56
assign (resid 6 and name HD#) (resid 5 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.79
assign (resid 6 and name HD#) (resid 5 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.83
assign (resid 5 and name HB) (resid 6 and name HD#) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.36
assign (resid 5 and name HB) (resid 6 and name HD#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.37
assign (resid 6 and name HD#) (resid 5 and name HB) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.81
assign (resid 5 and name HG2#) (resid 6 and name HD#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.39
assign (resid 5 and name HG2#) (resid 6 and name HD#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.40
assign (resid 6 and name HD#) (resid 5 and name HG##) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.82
assign (resid 6 and name HD#) (resid 5 and name HG##) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.84
assign (resid 5 and name HG1#) (resid 6 and name HD#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.46
assign (resid 5 and name HG1#) (resid 6 and name HD#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.47
assign (resid 5 and name HA) (resid 6 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.58
assign (resid 7 and name HA) (resid 5 and name HG##) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.88
assign (resid 7 and name HB#) (resid 5 and name HG##) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.90
assign (resid 9 and name HG1#) (resid 6 and name HB#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.120
assign (resid 9 and name HG2#) (resid 6 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.117
assign (resid 8 and name HG#) (resid 9 and name HG##) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.107
assign (resid 9 and name HG2#) (resid 8 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.118
assign (resid 7 and name HA) (resid 10 and name HB#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.85
assign (resid 10 and name HB#) (resid 7 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.137
assign (resid 10 and name HB#) (resid 7 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.138
assign (resid 9 and name HG1#) (resid 10 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.116
assign (resid 10 and name HA) (resid 9 and name HG##) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.133
assign (resid 11 and name HD#) (resid 7 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.166
assign (resid 11 and name HD#) (resid 7 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.163
assign (resid 11 and name HE#) (resid 7 and name HB#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.173
assign (resid 7 and name HG#) (resid 11 and name HE#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.93
assign (resid 11 and name HE#) (resid 7 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.170
assign (resid 11 and name HB1) (resid 8 and name HA) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.148
assign (resid 8 and name HA) (resid 11 and name HB#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.98
assign (resid 11 and name HB2) (resid 8 and name HA) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.149
assign (resid 8 and name HA) (resid 11 and name HD#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.99
assign (resid 11 and name HD#) (resid 8 and name HA) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.159
assign (resid 11 and name HD#) (resid 8 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.164
assign (resid 11 and name HD#) (resid 8 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.165
assign (resid 8 and name HG#) (resid 11 and name HD#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.106
assign (resid 11 and name HD#) (resid 8 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.162
assign (resid 11 and name HE#) (resid 8 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.171
assign (resid 11 and name HE#) (resid 8 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.172
assign (resid 8 and name HG#) (resid 11 and name HE#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.105
assign (resid 11 and name HE#) (resid 8 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.169
assign (resid 9 and name HA) (resid 12 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.111
assign (resid 12 and name HB1) (resid 9 and name HA) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.187
assign (resid 9 and name HA) (resid 12 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.110
assign (resid 12 and name HB2) (resid 9 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.186
assign (resid 9 and name HG1#) (resid 12 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.121
assign (resid 12 and name HD2#) (resid 9 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.193
assign (resid 9 and name HA) (resid 12 and name HG) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.113
assign (resid 12 and name HG) (resid 9 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.191
assign (resid 11 and name HB2) (resid 12 and name HD##) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.154
assign (resid 11 and name HE#) (resid 12 and name HD##) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.176
assign (resid 11 and name HA) (resid 12 and name HD2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.147
assign (resid 11 and name HD#) (resid 12 and name HD##) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.167
assign (resid 12 and name HD2#) (resid 11 and name HE#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.200
assign (resid 10 and name HA) (resid 13 and name HB) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.131
assign (resid 13 and name HB) (resid 10 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.212
assign (resid 13 and name HB) (resid 10 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.214
assign (resid 13 and name HD1#) (resid 10 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.226
assign (resid 10 and name HB#) (resid 13 and name HD1#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.140
assign (resid 10 and name HB#) (resid 13 and name HD1#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.141
assign (resid 13 and name HD1#) (resid 10 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.227
assign (resid 10 and name HA) (resid 13 and name HG11) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.132
assign (resid 11 and name HA) (resid 14 and name HB#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.143
assign (resid 14 and name HA) (resid 13 and name HG2#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.229
assign (resid 14 and name HB1) (resid 13 and name HG2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.232
assign (resid 13 and name HG2#) (resid 14 and name HB#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.224
assign (resid 13 and name HG2#) (resid 14 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.223
assign (resid 14 and name HG#) (resid 13 and name HG2#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.234
assign (resid 12 and name HA) (resid 15 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.181
assign (resid 12 and name HD1#) (resid 15 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.203
assign (resid 15 and name HB1) (resid 12 and name HD2#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.237
assign (resid 12 and name HA) (resid 15 and name HB2) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.182
assign (resid 12 and name HD1#) (resid 15 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.204
assign (resid 12 and name HD2#) (resid 15 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.196
assign (resid 12 and name HA) (resid 15 and name HG#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.180
assign (resid 12 and name HD1#) (resid 15 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.202
assign (resid 12 and name HD2#) (resid 15 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.194
assign (resid 15 and name HG#) (resid 12 and name HD##) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.253
assign (resid 12 and name HA) (resid 16 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.183
assign (resid 13 and name HA) (resid 16 and name HB#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.209
assign (resid 16 and name HB#) (resid 13 and name HA) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.261
assign (resid 15 and name HB1) (resid 16 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.248
assign (resid 16 and name HB#) (resid 15 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.265
assign (resid 15 and name HB2) (resid 16 and name HB#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.249
assign (resid 16 and name HB#) (resid 15 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.266
assign (resid 15 and name HG#) (resid 16 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.252
assign (resid 16 and name HB#) (resid 15 and name HG#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.263
assign (resid 17 and name HB) (resid 13 and name HG2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.274
assign (resid 17 and name HG2#)(resid 13 and name HG2#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.287
assign (resid 15 and name HA) (resid 18 and name HB1) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.239
assign (resid 18 and name HB1) (resid 15 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.298
assign (resid 15 and name HA) (resid 18 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.240
assign (resid 18 and name HB2) (resid 15 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.300
assign (resid 17 and name HG2#) (resid 18 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.275
assign (resid 18 and name HA)(resid 22 and name HG) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.294
assign (resid 18 and name HA) (resid 17 and name HG2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.295
assign (resid 15 and name HA) (resid 19 and name HB) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.244
assign (resid 15 and name HA) (resid 19 and name HD1#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.245
assign (resid 19 and name HD1#) (resid 15 and name HB1) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.351
assign (resid 19 and name HD1#) (resid 15 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.352
assign (resid 16 and name HA) (resid 19 and name HB) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.254
assign (resid 19 and name HB) (resid 16 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.317
assign (resid 16 and name HB#) (resid 19 and name HB) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.268
assign (resid 19 and name HG2#) (resid 16 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.329
assign (resid 18 and name HA) (resid 19 and name HD1#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.296
assign (resid 19 and name HD1#) (resid 18 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.521
assign (resid 16 and name HB#) (resid 20 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.267
assign (resid 16 and name HB#) (resid 20 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.264
assign (resid 17 and name HA) (resid 20 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.271
assign (resid 17 and name HA) (resid 20 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.272
assign (resid 19 and name HG2#) (resid 20 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.330
assign (resid 20 and name HA) (resid 19 and name HG2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.365
assign (resid 19 and name HG2#) (resid 20 and name HB#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.336
assign (resid 19 and name HG2#) (resid 20 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.334
assign (resid 20 and name HG#) (resid 19 and name HG2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.377
assign (resid 20 and name HG#) (resid 19 and name HG2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.378
assign (resid 17 and name HG2#) (resid 21 and name HB#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.284
assign (resid 21 and name HB#) (resid 17 and name HG2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.392
assign (resid 17 and name HG2#) (resid 21 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.279
assign (resid 21 and name HD#) (resid 17 and name HG2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.409
assign (resid 18 and name HA) (resid 21 and name HB#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.293
assign (resid 21 and name HB#) (resid 18 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.387
assign (resid 19 and name HA) (resid 22 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.311
assign (resid 22 and name HB2) (resid 19 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.420
assign (resid 19 and name HD1#) (resid 22 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.354
assign (resid 22 and name HD1#) (resid 19 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.441
assign (resid 19 and name HD1#) (resid 22 and name HD1#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.358
assign (resid 22 and name HD1#) (resid 19 and name HD1#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.447
assign (resid 19 and name HA) (resid 22 and name HD2#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.315
assign (resid 22 and name HD2#) (resid 19 and name HA) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.452
assign (resid 19 and name HD1#) (resid 22 and name HD2#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.359
assign (resid 19 and name HG2#) (resid 22 and name HD2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.342
assign (resid 22 and name HD1#) (resid 21 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.443
assign (resid 22 and name HD1#) (resid 21 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.442
assign (resid 23 and name HB1) (resid 19 and name HG2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.470
assign (resid 20 and name HA) (resid 23 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.360
assign (resid 23 and name HB1) (resid 20 and name HA) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.466
assign (resid 20 and name HA) (resid 23 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.361
assign (resid 21 and name HA) (resid 24 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.382
assign (resid 21 and name HA) (resid 24 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.381
assign (resid 21 and name HA) (resid 24 and name HG#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.380
assign (resid 22 and name HA) (resid 25 and name HD2) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.411
assign (resid 22 and name HD1#) (resid 26 and name HE#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.438
assign (resid 23 and name HA) (resid 26 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.464
assign (resid 23 and name HA) (resid 26 and name HD#) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.460
assign (resid 23 and name HB1) (resid 26 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.593
assign (resid 23 and name HB2) (resid 26 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.468
assign (resid 23 and name HA) (resid 26 and name HE#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.461
assign (resid 25 and name HB1) (resid 26 and name HE#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.481
assign (resid 27 and name HD1#) (resid 26 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.523
assign (resid 27 and name HD1#) (resid 26 and name HD#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.519
assign (resid 27 and name HG2#) (resid 28 and name HA#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.514
assign (resid 28 and name HA#) (resid 27 and name HG2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.525
assign (resid 28 and name HA#) (resid 27 and name HG2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.526
assign (resid 27 and name HG2#) (resid 29 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.515
assign (resid 27 and name HD1#) (resid 29 and name HE3) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.518
assign (resid 31 and name HB#) (resid 29 and name HZ2) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.555
assign (resid 29 and name HA) (resid 33 and name HZ3) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.529
assign (resid 26 and name HD#) (resid 23 and name HA) 3.400 1.6 0.0 ! 	 y1fc_cnoearo_23n6l.3
assign (resid 26 and name HD#) (resid 23 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_cnoearo_23n6l.5
assign (resid 26 and name HE#) (resid 23 and name HA) 5.500 3.7 0.0 ! 	 y1fc_cnoearo_23n6l.11
assign (resid 26 and name HE#) (resid 25 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_cnoearo_23n6l.14
assign (resid 26 and name HD#) (resid 27 and name HD1#) 5.500 3.7 0.0 ! 	 y1fc_cnoearo_23n6l.9
#
#The backbone amide protons of residues E2444 (7) to I2456 (19) showed not only-helix typical NOE contacts,but
#strong instead of medium-weak HN-Ha(i,i-1)-correlations. This is due to exchange with an extended conformation
#(see discussion of NMR relaxation data in the publication). For our calculations, we therefore commented these
#restraints out (see list above). Nevertheless, structures calculated using these strong HN-Ha(i,i-1)-correlations
#look overall the same but have systematically increased NOE violation energies. Also,using the respective HN-Ha(i,i-1)-  
#correlations as medium-weak did not alter the overall structure.  
# 
#
# long range:
#
assign (resid 33 and name HE1) (resid 23 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.290
assign (resid 17 and name HG2#) (resid 22 and name HD1#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.288
assign (resid 17 and name HG2#) (resid 22 and name HD2#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.289
assign (resid 23 and name HB1) (resid 30 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.467
assign (resid 30 and name HB#) (resid 23 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.541
assign (resid 19 and name HD1#) (resid 32 and name HB1) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.347
assign (resid 19 and name HD1#) (resid 32 and name HB2) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.349
assign (resid 32 and name HB2) (resid 19 and name HG12) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.578
assign (resid 19 and name HG2#) (resid 32 and name HB2) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.333
assign (resid 22 and name HD2#) (resid 32 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.453
assign (resid 22 and name HB1) (resid 32 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.424
assign (resid 22 and name HD2#) (resid 32 and name HD#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.449
assign (resid 22 and name HD1#) (resid 32 and name HE#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.435
assign (resid 22 and name HD2#) (resid 32 and name HE#) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.448
assign (resid 19 and name HD1#) (resid 33 and name HB2) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.592
assign (resid 19 and name HG2#) (resid 33 and name HB#) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.325
assign (resid 19 and name HG2#) (resid 33 and name HD1) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.327
assign (resid 32 and name HE#) (resid 19 and name HD1#) 5.500 3.7 0.0 ! 	 y1fc_cnoearo_23n6l.43
assign (resid 32 and name HD#) (resid 22 and name HB1) 5.500 3.7 0.0 ! 	 y1fc_cnoearo_23n6l.36
assign (resid 32 and name HD#) (resid 22 and name HD##) 5.500 3.7 0.0 ! 	 y1fc_cnoearo_23n6l.38
assign (resid 32 and name HE#) (resid 22 and name HD##) 5.500 3.7 0.0 ! 	 y1fc_cnoearo_23n6l.44
assign (resid 26 and name HE#) (resid 32 and name HE#) 4.500 2.7 0.0 ! 	 y1fc_cnoearo_23n6l.13
#
# ambiguous:
#
#classification into intraresidue, sequential/medium and long-range according to the one of the interaction
#partners who is further apart in the sequence
#
# intraresidue:
#
assign (resid 3 and name HA)((resid 3 and name HB#) or 
(resid 3 and name HG)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.15
assign (resid 13 and name HA)((resid 13 and name HG2#) or 
(resid 13 and name HD1#)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.211
assign (resid 17 and name HG2#)((resid 17 and name HB) or 
(resid 17 and name HA)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.276
assign (resid 19 and name HA)((resid 19 and name HG2#) or 
(resid 19 and name HD1#)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.314
assign (resid 19 and name HB)((resid 19 and name HG2#) or 
(resid 19 and name HD1#)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.320
assign (resid 27 and name HA)((resid 27 and name HG2#) or 
(resid 27 and name HD1#)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.499
assign (resid 27 and name HB)((resid 27 and name HG2#) or 
(resid 27 and name HD1#)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.503
assign (resid 27 and name HG11)((resid 27 and name HD1#) or 
(resid 27 and name HG2#)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.506
assign (resid 27 and name HG12)((resid 27 and name HD1#) or 
(resid 27 and name HG2#)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.509
#
# sequential + medium range:
#
assign (resid 3 and name HN)((resid 3 and name HA) or 
(resid 2 and name HA)) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.1
assign (resid 4 and name HN)((resid 5 and name HG2#) or 
(resid 3 and name HD1#)) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.11
!assign (resid 7 and name HN)((resid 6 and name HA) or 
!(resid 5 and name HA)) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.20
assign (resid 7 and name HN)((resid 7 and name HG#) or 
(resid 6 and name HB#)) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.24
assign (resid 7 and name HN)((resid 7 and name HB#) or 
(resid 6 and name HG#)) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.25
assign (resid 8 and name HN)((resid 9 and name HG2#) or 
(resid 5 and name HG2#)) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.36
assign (resid 8 and name HN)((resid 8 and name HB2) or 
(resid 7 and name HB#)) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.35
!assign (resid 9 and name HN)((resid 8 and name HA) or 
!(resid 6 and name HA)) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.41
assign (resid 9 and name HN)((resid 9 and name HB) or 
(resid 8 and name HB1)) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.44
assign (resid 10 and name HN)((resid 9 and name HN) or 
(resid 11 and name HN)) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.47
assign (resid 14 and name HN)((resid 13 and name HG2#) or 
(resid 13 and name HD1#)) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.102
assign (resid 15 and name HN)((resid 15 and name HA) or 
(resid 12 and name HA)) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.105
assign (resid 15 and name HN)((resid 15 and name HB1) or 
(resid 14 and name HB1)) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.107
assign (resid 15 and name HN)((resid 15 and name HB2) or 
(resid 14 and name HB2)) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.108
assign (resid 17 and name HN)((resid 14 and name HA) or 
(resid 17 and name HB)) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.123
assign (resid 18 and name HN)((resid 15 and name HA) or 
(resid 17 and name HA) or 
(resid 17 and name HB)) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.128
assign (resid 16 and name HN)((resid 17 and name HN) or 
(resid 18 and name HN)) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.114
assign (resid 15 and name HE2#)((resid 12 and name HD1#) or 
(resid 19 and name HD1#)) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.111
assign (resid 15 and name HE2#)((resid 12 and name HD1#) or 
(resid 19 and name HD1#)) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.113
!assign (resid 16 and name HN)((resid 15 and name HA) or 
!(resid 12 and name HA)) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.116
assign (resid 19 and name HN)((resid 16 and name HA) or
(resid 15 and name HA)) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.136
assign (resid 19 and name HN)((resid 19 and name HG2#) or 
(resid 19 and name HD1#)) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.143
assign (resid 20 and name HN)((resid 19 and name HG2#) or 
(resid 19 and name HD1#)) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.155
assign (resid 18 and name HN)((resid 19 and name HB) or
(resid 21 and name HB#)) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.131
assign (resid 22 and name HN)((resid 19 and name HG2#) or 
(resid 19 and name HD1#)) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.182
assign (resid 22 and name HN)((resid 22 and name HA) or 
(resid 21 and name HA)) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.176
assign (resid 22 and name HN)((resid 22 and name HB2) or
(resid 21 and name HG#)) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.179
assign (resid 23 and name HN)((resid 19 and name HG2#) or 
(resid 19 and name HD1#)) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.303
assign (resid 24 and name HN)((resid 23 and name HN) or 
(resid 25 and name HN)) 3.500 1.7 0.0 ! 	 y1fc_nnoe_23n6l.194
assign (resid 24 and name HN)((resid 25 and name HD2) or 
(resid 26 and name HD#)) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.196
assign (resid 28 and name HN)((resid 28 and name HA#) or 
(resid 27 and name HA)) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.239
assign (resid 33 and name HN)((resid 33 and name HA) or 
(resid 32 and name HA)) 2.800 1.0 0.0 ! 	 y1fc_nnoe_23n6l.278
assign (resid 2 and name HG#)((resid 3 and name HB#) or 
(resid 3 and name HG)) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.13
assign (resid 5 and name HG2#)((resid 5 and name HA) or 
(resid 6 and name HA)) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.38
assign (resid 5 and name HG1#)((resid 5 and name HA) or 
(resid 6 and name HA)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.45
assign (resid 5 and name HG2#)((resid 7 and name HG#) or 
(resid 6 and name HB#)) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.42
assign (resid 5 and name HG2#)((resid 3 and name HB#) or 
(resid 3 and name HG)) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.61
assign (resid 5 and name HG2#)((resid 8 and name HG#) or 
(resid 7 and name HG#)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.60
assign (resid 5 and name HG1#)((resid 7 and name HG#) or 
(resid 8 and name HG#)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.49
assign (resid 6 and name HG#)((resid 6 and name HA) or 
(resid 5 and name HA)) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.76
assign (resid 5 and name HG2#)((resid 6 and name HG#) or 
(resid 7 and name HB#)) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.44
assign (resid 5 and name HG1#)((resid 6 and name HG#) or 
(resid 7 and name HB#)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.52
assign (resid 5 and name HG1#)((resid 6 and name HB#) or 
(resid 7 and name HG#)) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.50
assign (resid 8 and name HA)((resid 8 and name HB2) or 
(resid 7 and name HB#)) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.97
assign (resid 6 and name HB#)((resid 5 and name HG1#) or 
(resid 9 and name HG1#)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.75
assign (resid 6 and name HG#)((resid 5 and name HG1#) or 
(resid 9 and name HG1#)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.78
assign (resid 6 and name HA)((resid 5 and name HG1#) or 
(resid 9 and name HG2#)) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.67
assign (resid 8 and name HA)((resid 12 and name HD2#) or 
(resid 9 and name HG2#)) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.100
assign (resid 8 and name HB1)((resid 12 and name HD2#) or 
(resid 9 and name HG2#)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.103
assign (resid 10 and name HA)((resid 13 and name HD1#) or 
(resid 13 and name HG2#)) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.134
assign (resid 11 and name HE#)((resid 11 and name HA) or 
(resid 7 and name HA)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.168
assign (resid 12 and name HD1#)((resid 9 and name HA) or 
(resid 13 and name HA)) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.201
assign (resid 14 and name HB1)((resid 14 and name HA) or 
(resid 11 and name HA)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.230
assign (resid 14 and name HB2)((resid 14 and name HA) or 
(resid 11 and name HA)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.231
assign (resid 15 and name HB1)((resid 15 and name HA) or 
(resid 12 and name HA)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.246
assign (resid 15 and name HB2)((resid 15 and name HA) or 
(resid 12 and name HA)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.247
assign (resid 15 and name HB2)((resid 19 and name HD1#) or 
(resid 12 and name HD1#)) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.238
assign (resid 17 and name HG2#)((resid 20 and name HB#) or 
(resid 14 and name HB1)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.282
assign (resid 17 and name HG2#)((resid 20 and name HB#) or 
(resid 14 and name HB2)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.283
assign (resid 18 and name HA)((resid 17 and name HB) or 
(resid 17 and name HA)) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.292
assign (resid 17 and name HG2#)((resid 13 and name HA) or 
(resid 18 and name HB1)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.278
assign (resid 15 and name HB1)((resid 12 and name HD1#) or 
(resid 19 and name HD1#)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.250
assign (resid 16 and name HA)((resid 19 and name HD1#) or 
(resid 19 and name HG2#)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.256
assign (resid 16 and name HB#)((resid 12 and name HD1#) or 
(resid 19 and name HG2#)) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.269
assign (resid 18 and name HB2)((resid 19 and name HG2#) or 
(resid 19 and name HD1#)) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.309
assign (resid 17 and name HG2#)((resid 14 and name HG#) or 
(resid 20 and name HG#)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.280
assign (resid 19 and name HA)((resid 19 and name HG12) or 
(resid 22 and name HB1)) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.313
assign (resid 22 and name HD2#)((resid 19 and name HD1#) or 
(resid 19 and name HG2#)) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.459
assign (resid 22 and name HG)((resid 19 and name HG2#) or 
(resid 19 and name HD1#)) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.432
assign (resid 24 and name HB1)((resid 24 and name HA) or 
(resid 21 and name HA)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.475
assign (resid 24 and name HB2)((resid 24 and name HA) or 
(resid 21 and name HA)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.474
assign (resid 24 and name HG#)((resid 24 and name HA) or 
(resid 21 and name HA)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.478
assign (resid 22 and name HD1#)((resid 25 and name HD2) or 
(resid 26 and name HD#)) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.436
assign (resid 27 and name HG2#)((resid 27 and name HA) or 
(resid 28 and name HA#)) 2.800 1.0 0.0 ! 	 y1fc_cnoe_23n6l.513
assign (resid 29 and name HA)((resid 27 and name HD1#) or 
(resid 27 and name HG2#)) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.532
assign (resid 29 and name HB1)((resid 27 and name HD1#) or 
(resid 27 and name HG2#)) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.539
assign (resid 29 and name HE3)((resid 27 and name HG2#) or 
(resid 27 and name HD1#)) 5.500 3.7 0.0 ! 	 y1fc_cnoearo_23n6l.64
#
# long range:
#
assign (resid 33 and name HE1)((resid 19 and name HG2#) or 
(resid 19 and name HD1#)) 4.500 2.7 0.0 ! 	 y1fc_nnoe_23n6l.292
assign (resid 33 and name HN)((resid 19 and name HG2#) or 
(resid 19 and name HD1#)) 5.500 3.7 0.0 ! 	 y1fc_nnoe_23n6l.284
assign (resid 22 and name HD1#)((resid 22 and name HB1) or 
(resid 17 and name HG2#)) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.446
assign (resid 22 and name HD2#)((resid 22 and name HB1) or 
(resid 17 and name HG2#)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.458
assign (resid 19 and name HG2#)((resid 32 and name HB1) or 
(resid 23 and name HB1)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.332
assign (resid 32 and name HA)((resid 19 and name HG2#) or 
(resid 19 and name HD1#)) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.573
assign (resid 19 and name HG2#)((resid 33 and name HA) or 
(resid 32 and name HA)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.328
assign (resid 32 and name HB1)((resid 19 and name HG2#) or 
(resid 19 and name HD1#)) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.576
assign (resid 32 and name HB2)((resid 19 and name HG2#) or 
(resid 19 and name HD1#)) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.577
assign (resid 19 and name HD1#)((resid 33 and name HD1) or 
(resid 32 and name HD#)) 4.500 2.7 0.0 ! 	 y1fc_cnoe_23n6l.345
assign (resid 19 and name HD1#)((resid 32 and name HE#) or 
(resid 32 and name HZ)) 5.500 3.7 0.0 ! 	 y1fc_cnoe_23n6l.344
assign (resid 33 and name HA)((resid 19 and name HG2#) or 
(resid 19 and name HD1#)) 3.400 1.6 0.0 ! 	 y1fc_cnoe_23n6l.585
assign (resid 32 and name HD#)((resid 19 and name HD1#) or 
(resid 19 and name HG2#)) 4.500 2.7 0.0 ! 	 y1fc_cnoearo_23n6l.37
assign (resid 33 and name HD1)((resid 19 and name HG2#) or 
(resid 19 and name HD1#)) 4.500 2.7 0.0 ! 	 y1fc_cnoearo_23n6l.50
#
# Phi restraints for y1fatcox based on 3Jhnha (and CSI, TALOS) for regions with low flexibility
#
# 3J =< 5.5 --> phi = -60 +/- 25
#
assign (resid  15 and name    C)    (resid  16 and name   N)
       (resid  16 and name   CA)    (resid  16 and name   C)     1.0    -60.0     25.0   2	!

assign (resid  19 and name    C)    (resid  20 and name   N)
       (resid  20 and name   CA)    (resid  20 and name   C)     1.0    -60.0     25.0   2	!

assign (resid  21 and name    C)    (resid  22 and name   N)
       (resid  22 and name   CA)    (resid  22 and name   C)     1.0    -60.0     25.0   2	!

assign (resid  23 and name    C)    (resid  24 and name   N)
       (resid  24 and name   CA)    (resid  24 and name   C)     1.0    -60.0     25.0   2	!

assign (resid  28 and name    C)    (resid  29 and name   N)
       (resid  29 and name   CA)    (resid  29 and name   C)     1.0    -60.0     25.0   2	!

assign (resid  10 and name    C)    (resid  11 and name   N)
       (resid  11 and name   CA)    (resid  11 and name   C)     1.0    -60.0     25.0   2	!

assign (resid  11 and name    C)    (resid  12 and name   N)
       (resid  12 and name   CA)    (resid  12 and name   C)     1.0    -60.0     25.0   2	!

assign (resid  17 and name    C)    (resid  18 and name   N)
       (resid  18 and name   CA)    (resid  18 and name   C)     1.0    -60.0     25.0   2	!	

assign (resid  18 and name    C)    (resid  19 and name   N)
       (resid  19 and name   CA)    (resid  19 and name   C)     1.0    -60.0     25.0   2	!

# 5.5< 3J =< 6.5 --> phi = -65 +/- 30

assign (resid  20 and name    C)    (resid  21 and name   N)
       (resid  21 and name   CA)    (resid  21 and name   C)     1.0    -65.0     30.0   2	!

assign (resid  6 and name    C)    (resid  7 and name   N)
       (resid  7 and name   CA)    (resid  7 and name   C)     1.0    -65.0     30.0   2	!

assign (resid  7 and name    C)    (resid  8 and name   N)
       (resid  8 and name   CA)    (resid  8 and name   C)     1.0    -65.0     30.0   2	!

assign (resid  8 and name    C)    (resid  9 and name   N)
       (resid  9 and name   CA)    (resid  9 and name   C)     1.0    -65.0     30.0   2       !

assign (resid  9 and name    C)    (resid  10 and name   N)
       (resid  10 and name   CA)    (resid  10 and name   C)     1.0    -65.0     30.0   2	!

assign (resid  13 and name    C)    (resid  14 and name   N)
       (resid  14 and name   CA)    (resid  14 and name   C)     1.0    -65.0     30.0   2	!

assign (resid  16 and name    C)    (resid  17 and name   N)
       (resid  17 and name   CA)    (resid  17 and name   C)     1.0    -65.0     30.0   2	!

assign (resid  12 and name    C)    (resid  13 and name   N)
       (resid  13 and name   CA)    (resid  13 and name   C)     1.0    -65.0     30.0   2	!

assign (resid  14 and name    C)    (resid  15 and name   N)
       (resid  15 and name   CA)    (resid  15 and name   C)     1.0    -65.0     30.0   2	!

assign (resid  22 and name    C)    (resid  23 and name   N)
       (resid  23 and name   CA)    (resid  23 and name   C)     1.0    -65.0     30.0   2	!

# 7.5 =< 3J < 8.0 & first calc. structures --> phi = -150 +/- 40 or -90 +/- 40

assign (resid  4 and name    C)    (resid  5 and name   N)
       (resid  5 and name   CA)    (resid  5 and name   C)     1.0    -150.0     40.0   2	!

assign (resid  24 and name    C)    (resid  25 and name   N)
       (resid  25 and name   CA)    (resid  25 and name   C)     1.0    -90.0     40.0   2	!

# 3J >= 8.0 --> phi = -120 +/- 30

assign (resid  25 and name    C)    (resid  26 and name   N)
       (resid  26 and name   CA)    (resid  26 and name   C)     1.0    -120.0     30.0   2	!

assign (resid  26 and name    C)    (resid  27 and name   N)
       (resid  27 and name   CA)    (resid  27 and name   C)     1.0    -120.0     30.0   2	!

assign (resid  31 and name    C)    (resid  32 and name   N)
       (resid  32 and name   CA)    (resid  32 and name   C)     1.0    -120.0     30.0   2	!
#
# phi restrained based on 3J and first calculated structures for glycines
#
assign (resid  27 and name    C)    (resid  28 and name   N)
       (resid  28 and name   CA)    (resid  28 and name   C)     1.0    -65.0     30.0   2	!
#
# phi restrained to left side of ramachandran plot, based on the first calc. structures
# first -120 =/- 40, then:
#
assign (resid  29 and name    C)    (resid  30 and name   N)
       (resid  30 and name   CA)    (resid  30 and name   C)     1.0    -120.0     40.0   2	!
#
# Chi1 restraints for y1fatcox based on 3Jab, 15N-/13C-NOE, aro-hncg/hncocg
#
assign (resid  8 and name    N)    (resid  8 and name   CA)
       (resid  8 and name   CB)    (resid  8 and name   CG)     1.0    -60.0     30.0   2

assign (resid  11 and name    N)    (resid  11 and name   CA)
       (resid  11 and name   CB)    (resid  11 and name   CG)     1.0    -60.0     30.0   2

assign (resid  12 and name    N)    (resid  12 and name   CA)
       (resid  12 and name   CB)    (resid  12 and name   CG)     1.0    -60.0     30.0   2       

assign (resid  14 and name    N)    (resid  14 and name   CA)
       (resid  14 and name   CB)    (resid  14 and name   CG)     1.0    -60.0     30.0   2

assign (resid  15 and name    N)    (resid  15 and name   CA)
       (resid  15 and name   CB)    (resid  15 and name   CG)     1.0    -60.0     30.0   2

assign (resid  18 and name    N)    (resid  18 and name   CA)
       (resid  18 and name   CB)    (resid  18 and name   OG)     1.0    60.0      30.0   2

assign (resid  22 and name    N)    (resid  22 and name   CA)
       (resid  22 and name   CB)    (resid  22 and name   CG)     1.0    -60.0     30.0   2

assign (resid  23 and name    N)    (resid  23 and name   CA)
       (resid  23 and name   CB)    (resid  23 and name   SG)     1.0     -60.0     30.0   2

assign (resid  24 and name    N)    (resid  24 and name   CA)
       (resid  24 and name   CB)    (resid  24 and name   CG)     1.0    -60.0     30.0   2

assign (resid  25 and name    N)    (resid  25 and name   CA)
       (resid  25 and name   CB)    (resid  25 and name   CG)     1.0    -60.0     30.0   2

assign (resid  26 and name    N)    (resid  26 and name   CA)
       (resid  26 and name   CB)    (resid  26 and name   CG)     1.0    -60.0     30.0   2

assign (resid  29 and name    N)    (resid  29 and name   CA)
       (resid  29 and name   CB)    (resid  29 and name   CG)     1.0    180.0     30.0   2

assign (resid  32 and name    N)    (resid  32 and name   CA)
       (resid  32 and name   CB)    (resid  32 and name   CG)     1.0    -60.0     30.0   2

assign (resid  33 and name    N)    (resid  33 and name   CA)
       (resid  33 and name   CB)    (resid  33 and name   CG)     1.0    -60.0     30.0   2
#
# based on 2nd generation of structures:
#
assign (resid  9 and name    N)    (resid  9 and name   CA)
       (resid  9 and name   CB)    (resid  9 and name   CG1)     1.0    180.0     40.0   2

assign (resid  17 and name    N)    (resid  17 and name   CA)
       (resid  17 and name   CB)    (resid  17 and name   OG1)     1.0    -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   CG1)     1.0    -60.0     40.0   2

assign (resid  19 and name    N)    (resid  19 and name   CA)
       (resid  19 and name   CB)    (resid  19 and name   CG1)     1.0    -60.0     40.0   2

assign (resid  20 and name    N)    (resid  20 and name   CA)
       (resid  20 and name   CB)    (resid  20 and name   CG)     1.0    -60.0     40.0   2

assign (resid  21 and name    N)    (resid  21 and name   CA)
       (resid  21 and name   CB)    (resid  21 and name   CG)     1.0    -60.0     40.0   2
#
# Residual dipolar coupling restraints based on the measured D(N-H)
#
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  5  and name N   )
       ( resid  5  and name HN  ) 2.079502211  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  7  and name N   )
       ( resid  7  and name HN  ) 2.160540028  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  8  and name N   )
       ( resid  8  and name HN  ) 2.910560775  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  9  and name N   )
       ( resid  9  and name HN  ) 0.194361617  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  10  and name N   )
       ( resid  10  and name HN  ) 1.451005389  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  11  and name N   )
       ( resid  11  and name HN  ) -1.021970983  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  12  and name N   )
       ( resid  12  and name HN  ) -1.548968264  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  13  and name N   )
       ( resid  13  and name HN  ) -4.265167422  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  14  and name N   )
       ( resid  14  and name HN  ) 0.417275748  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  15  and name N   )
       ( resid  15  and name HN  ) 2.687537309  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  16  and name N   )
       ( resid  16  and name HN  ) 0.457718122  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  17  and name N   )
       ( resid  17  and name HN  ) -0.859764147  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  18  and name N   )
       ( resid  18  and name HN  ) 2.038841167  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  19  and name N   )
       ( resid  19  and name HN  ) 9.072736784  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  20  and name N   )
       ( resid  20  and name HN  ) -0.839586694  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  21  and name N   )
       ( resid  21  and name HN  ) -5.299050132  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  22  and name N   )
       ( resid  22  and name HN  ) 7.71452787  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  23  and name N   )
       ( resid  23  and name HN  ) -3.292276278  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  24  and name N   )
       ( resid  24  and name HN  ) -17.35993631  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  25  and name N   )
       ( resid  25  and name HN  ) 2.54555166  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  26  and name N   )
       ( resid  26  and name HN  ) 0.275333833  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  27  and name N   )
       ( resid  27  and name HN  ) 10.06604592  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  28  and name N   )
       ( resid  28  and name HN  ) 1.207695135  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  29  and name N   )
       ( resid  29  and name HN  ) -1.994905861  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  30  and name N   )
       ( resid  30  and name HN  ) 11.16035165  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  32  and name N   )
       ( resid  32  and name HN  ) 2.748463274  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  33  and name N   )
       ( resid  33  and name HN  ) -4.569250572  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  29  and name NE1  )
       ( resid  29  and name HE1  ) 9.943909717  0.2000
assign ( resid  500 and name OO  )
       ( resid  500 and name Z   )
       ( resid  500 and name X   )
       ( resid  500 and name Y   )
       ( resid  33  and name NE1  )
       ( resid  33  and name HE1  ) -4.367213638  0.2000
#
# Restraints for the disulfide bond
#
assign (resid 23 and name sg) (resid 30 and name sg) 2.02 0.0 0.1
assign (resid 23 and name ca) (resid 30 and name ca) 7.000 2.8 0.0
#
assign (resid  23 and name   CB)    (resid  23 and name   SG)
       (resid  30 and name   SG)    (resid  30 and name   CB)     1.0    0.0     105.0   2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASN   1           HT3      ASN   1  19.606  36.846  14.386
    2    H2   ASN   1           HT2      ASN   1  17.990  36.757  13.868
    3    H3   ASN   1           HT1      ASN   1  19.242  36.231  12.847
    4    HA   ASN   1           HA       ASN   1  19.140  38.240  11.917
    5   1HB   ASN   1           HB2      ASN   1  17.772  39.161  14.465
    6   2HB   ASN   1           HB1      ASN   1  17.938  40.121  12.994
    7   1HD2  ASN   1          1HD2      ASN   1  16.508  37.062  14.219
    8   2HD2  ASN   1          2HD2      ASN   1  15.279  36.989  13.051
    9    H    GLU   2           HN       GLU   2  20.079  38.189  15.338
   10    HA   GLU   2           HA       GLU   2  21.694  40.474  15.456
   11   1HB   GLU   2           HB2      GLU   2  21.898  37.766  16.764
   12   2HB   GLU   2           HB1      GLU   2  23.135  38.988  17.060
   13   1HG   GLU   2           HG2      GLU   2  21.287  39.010  18.752
   14   2HG   GLU   2           HG1      GLU   2  21.476  40.542  17.900
   15    H    LEU   3           HN       LEU   3  23.041  37.204  14.858
   16    HA   LEU   3           HA       LEU   3  25.453  38.342  13.709
   17   1HB   LEU   3           HB2      LEU   3  24.407  35.498  13.524
   18   2HB   LEU   3           HB1      LEU   3  26.042  36.021  13.156
   19    HG   LEU   3           HG       LEU   3  26.137  35.077  15.343
   20   1HD1  LEU   3          2HD1      LEU   3  27.191  37.404  14.948
   21   2HD1  LEU   3          1HD1      LEU   3  25.889  38.014  15.974
   22   3HD1  LEU   3          3HD1      LEU   3  27.038  36.837  16.609
   23   1HD2  LEU   3          1HD2      LEU   3  23.528  35.454  15.641
   24   2HD2  LEU   3          3HD2      LEU   3  24.583  35.342  17.045
   25   3HD2  LEU   3          2HD2      LEU   3  24.049  36.918  16.474
   26    H    ASP   4           HN       ASP   4  26.102  38.167  11.464
   27    HA   ASP   4           HA       ASP   4  23.781  38.396   9.608
   28   1HB   ASP   4           HB2      ASP   4  25.465  40.227   9.678
   29   2HB   ASP   4           HB1      ASP   4  26.702  39.078   9.167
   30    H    VAL   5           HN       VAL   5  23.814  35.845   9.997
   31    HA   VAL   5           HA       VAL   5  25.469  34.633   7.812
   32    HB   VAL   5           HB       VAL   5  24.966  32.486   9.354
   33   1HG1  VAL   5          3HG1      VAL   5  27.127  34.562   9.749
   34   2HG1  VAL   5          2HG1      VAL   5  27.154  32.992  10.553
   35   3HG1  VAL   5          1HG1      VAL   5  27.212  33.082   8.792
   36   1HG2  VAL   5          1HG2      VAL   5  23.666  34.047  10.939
   37   2HG2  VAL   5          3HG2      VAL   5  24.847  32.964  11.675
   38   3HG2  VAL   5          2HG2      VAL   5  25.242  34.664  11.427
   39    HA   PRO   6           HA       PRO   6  21.494  33.533   6.124
   40   1HB   PRO   6           HB2      PRO   6  22.153  31.357   4.580
   41   2HB   PRO   6           HB1      PRO   6  22.590  33.020   4.144
   42   1HG   PRO   6           HG2      PRO   6  24.265  30.905   5.423
   43   2HG   PRO   6           HG1      PRO   6  24.696  32.071   4.158
   44   1HD   PRO   6           HD2      PRO   6  25.385  32.417   6.791
   45   2HD   PRO   6           HD1      PRO   6  25.098  33.777   5.681
   46    H    GLU   7           HN       GLU   7  21.958  32.526   8.796
   47    HA   GLU   7           HA       GLU   7  21.501  29.715   9.002
   48   1HB   GLU   7           HB2      GLU   7  20.502  30.372  11.288
   49   2HB   GLU   7           HB1      GLU   7  22.188  30.799  10.999
   50   1HG   GLU   7           HG2      GLU   7  21.598  33.079  10.479
   51   2HG   GLU   7           HG1      GLU   7  19.877  32.692  10.496
   52    H    GLN   8           HN       GLN   8  19.343  32.472   8.605
   53    HA   GLN   8           HA       GLN   8  16.897  31.016   9.003
   54   1HB   GLN   8           HB2      GLN   8  17.164  33.419   7.200
   55   2HB   GLN   8           HB1      GLN   8  15.812  32.958   8.231
   56   1HG   GLN   8           HG2      GLN   8  17.370  33.287  10.218
   57   2HG   GLN   8           HG1      GLN   8  18.497  34.042   9.090
   58   1HE2  GLN   8          1HE2      GLN   8  15.151  34.330  10.354
   59   2HE2  GLN   8          2HE2      GLN   8  15.010  35.992  10.042
   60    H    VAL   9           HN       VAL   9  18.415  32.190   5.986
   61    HA   VAL   9           HA       VAL   9  16.808  30.913   4.119
   62    HB   VAL   9           HB       VAL   9  19.835  31.030   3.959
   63   1HG1  VAL   9          3HG1      VAL   9  18.632  29.749   2.180
   64   2HG1  VAL   9          2HG1      VAL   9  17.704  31.202   1.809
   65   3HG1  VAL   9          1HG1      VAL   9  19.451  31.183   1.561
   66   1HG2  VAL   9          2HG2      VAL   9  17.713  33.144   3.531
   67   2HG2  VAL   9          1HG2      VAL   9  19.130  33.228   4.577
   68   3HG2  VAL   9          3HG2      VAL   9  19.324  33.269   2.824
   69    H    ASP  10           HN       ASP  10  18.979  29.449   6.392
   70    HA   ASP  10           HA       ASP  10  19.370  26.944   5.030
   71   1HB   ASP  10           HB2      ASP  10  20.624  27.849   7.095
   72   2HB   ASP  10           HB1      ASP  10  19.251  27.265   8.034
   73    H    LYS  11           HN       LYS  11  17.328  27.571   7.885
   74    HA   LYS  11           HA       LYS  11  15.800  25.338   8.074
   75   1HB   LYS  11           HB2      LYS  11  14.852  28.209   8.190
   76   2HB   LYS  11           HB1      LYS  11  13.753  26.874   8.514
   77   1HG   LYS  11           HG2      LYS  11  14.473  27.115  10.680
   78   2HG   LYS  11           HG1      LYS  11  15.853  26.172  10.147
   79   1HD   LYS  11           HD2      LYS  11  16.923  28.002  11.113
   80   2HD   LYS  11           HD1      LYS  11  16.827  28.525   9.433
   81   1HE   LYS  11           HE2      LYS  11  16.110  30.295  11.052
   82   2HE   LYS  11           HE1      LYS  11  14.837  29.853   9.915
   83   1HZ   LYS  11           HZ3      LYS  11  14.793  28.206  12.236
   84   2HZ   LYS  11           HZ2      LYS  11  14.674  29.849  12.653
   85   3HZ   LYS  11           HZ1      LYS  11  13.558  29.161  11.573
   86    H    LEU  12           HN       LEU  12  15.494  27.653   5.409
   87    HA   LEU  12           HA       LEU  12  13.117  26.529   4.300
   88   1HB   LEU  12           HB2      LEU  12  15.332  28.266   3.283
   89   2HB   LEU  12           HB1      LEU  12  14.325  27.475   2.080
   90    HG   LEU  12           HG       LEU  12  13.639  29.838   2.866
   91   1HD1  LEU  12          3HD1      LEU  12  11.812  27.449   2.686
   92   2HD1  LEU  12          2HD1      LEU  12  11.151  29.057   2.974
   93   3HD1  LEU  12          1HD1      LEU  12  12.086  28.737   1.516
   94   1HD2  LEU  12          2HD2      LEU  12  13.900  29.021   5.363
   95   2HD2  LEU  12          1HD2      LEU  12  12.614  30.142   4.934
   96   3HD2  LEU  12          3HD2      LEU  12  12.249  28.430   5.143
   97    H    ILE  13           HN       ILE  13  16.548  25.948   3.457
   98    HA   ILE  13           HA       ILE  13  16.105  23.856   1.610
   99    HB   ILE  13           HB       ILE  13  18.351  24.245   3.616
  100   1HG1  ILE  13          2HG1      ILE  13  18.333  24.673   0.618
  101   2HG1  ILE  13          1HG1      ILE  13  17.938  25.956   1.763
  102   1HG2  ILE  13          3HG2      ILE  13  18.010  22.252   1.365
  103   2HG2  ILE  13          2HG2      ILE  13  19.594  22.698   1.996
  104   3HG2  ILE  13          1HG2      ILE  13  18.411  21.926   3.052
  105   1HD1  ILE  13          2HD1      ILE  13  20.505  24.361   1.913
  106   2HD1  ILE  13          1HD1      ILE  13  20.371  25.875   1.019
  107   3HD1  ILE  13          3HD1      ILE  13  20.113  25.855   2.763
  108    H    GLN  14           HN       GLN  14  16.578  23.671   5.145
  109    HA   GLN  14           HA       GLN  14  16.184  20.878   5.424
  110   1HB   GLN  14           HB2      GLN  14  15.496  23.149   7.311
  111   2HB   GLN  14           HB1      GLN  14  15.530  21.449   7.764
  112   1HG   GLN  14           HG2      GLN  14  17.914  22.822   6.517
  113   2HG   GLN  14           HG1      GLN  14  17.656  22.786   8.263
  114   1HE2  GLN  14          1HE2      GLN  14  18.892  20.987   5.600
  115   2HE2  GLN  14          2HE2      GLN  14  19.126  19.516   6.414
  116    H    GLN  15           HN       GLN  15  13.828  23.542   5.781
  117    HA   GLN  15           HA       GLN  15  11.522  21.935   6.150
  118   1HB   GLN  15           HB2      GLN  15  11.884  24.675   4.925
  119   2HB   GLN  15           HB1      GLN  15  10.295  23.939   5.120
  120   1HG   GLN  15           HG2      GLN  15  12.243  24.209   7.417
  121   2HG   GLN  15           HG1      GLN  15  11.061  25.459   7.028
  122   1HE2  GLN  15          1HE2      GLN  15   8.818  25.027   7.493
  123   2HE2  GLN  15          2HE2      GLN  15   8.315  23.644   8.340
  124    H    ALA  16           HN       ALA  16  12.607  23.463   3.086
  125    HA   ALA  16           HA       ALA  16  10.764  22.073   1.429
  126   1HB   ALA  16           HB1      ALA  16  12.241  24.055   0.798
  127   2HB   ALA  16           HB3      ALA  16  13.549  22.890   0.583
  128   3HB   ALA  16           HB2      ALA  16  12.098  22.783  -0.416
  129    H    THR  17           HN       THR  17  13.976  21.169   2.605
  130    HA   THR  17           HA       THR  17  14.241  18.802   0.979
  131    HB   THR  17           HB       THR  17  15.444  19.575   3.650
  132    HG1  THR  17           HG1      THR  17  16.808  19.243   1.229
  133   1HG2  THR  17          2HG2      THR  17  15.878  17.126   1.937
  134   2HG2  THR  17          1HG2      THR  17  17.084  17.692   3.093
  135   3HG2  THR  17          3HG2      THR  17  15.487  17.194   3.657
  136    H    SER  18           HN       SER  18  13.305  19.201   4.402
  137    HA   SER  18           HA       SER  18  12.608  16.621   5.076
  138   1HB   SER  18           HB2      SER  18  10.587  17.915   6.311
  139   2HB   SER  18           HB1      SER  18  12.258  18.079   6.841
  140    HG   SER  18           HG       SER  18  11.456  19.736   4.778
  141    H    ILE  19           HN       ILE  19   9.985  18.859   4.017
  142    HA   ILE  19           HA       ILE  19   8.011  17.091   3.499
  143    HB   ILE  19           HB       ILE  19   8.897  19.650   2.186
  144   1HG1  ILE  19          2HG1      ILE  19   6.634  20.358   3.071
  145   2HG1  ILE  19          1HG1      ILE  19   6.475  18.752   3.773
  146   1HG2  ILE  19          2HG2      ILE  19   6.610  17.922   1.218
  147   2HG2  ILE  19          1HG2      ILE  19   6.708  19.649   0.901
  148   3HG2  ILE  19          3HG2      ILE  19   7.945  18.564   0.266
  149   1HD1  ILE  19          3HD1      ILE  19   8.768  20.636   4.366
  150   2HD1  ILE  19          2HD1      ILE  19   7.344  20.457   5.383
  151   3HD1  ILE  19          1HD1      ILE  19   8.440  19.089   5.156
  152    H    GLU  20           HN       GLU  20  10.599  17.781   1.081
  153    HA   GLU  20           HA       GLU  20   9.622  16.266  -1.029
  154   1HB   GLU  20           HB2      GLU  20  12.460  16.574  -0.035
  155   2HB   GLU  20           HB1      GLU  20  12.085  15.668  -1.498
  156   1HG   GLU  20           HG2      GLU  20  11.051  17.614  -2.509
  157   2HG   GLU  20           HG1      GLU  20  11.226  18.533  -1.014
  158    H    ARG  21           HN       ARG  21  11.702  14.890   1.564
  159    HA   ARG  21           HA       ARG  21  11.049  12.190   0.651
  160   1HB   ARG  21           HB2      ARG  21  12.528  12.819   3.196
  161   2HB   ARG  21           HB1      ARG  21  12.729  11.445   2.108
  162   1HG   ARG  21           HG2      ARG  21  13.501  14.325   1.544
  163   2HG   ARG  21           HG1      ARG  21  14.601  12.969   1.798
  164   1HD   ARG  21           HD2      ARG  21  13.519  11.851  -0.205
  165   2HD   ARG  21           HD1      ARG  21  12.690  13.376  -0.515
  166    HE   ARG  21           HE       ARG  21  14.707  14.195  -1.396
  167   1HH1  ARG  21          1HH1      ARG  21  16.411  14.175   0.942
  168   2HH1  ARG  21          2HH1      ARG  21  17.611  12.980   0.577
  169   1HH2  ARG  21          1HH2      ARG  21  15.761  11.516  -1.964
  170   2HH2  ARG  21          2HH2      ARG  21  17.243  11.475  -1.068
  171    H    LEU  22           HN       LEU  22   9.852  14.397   3.040
  172    HA   LEU  22           HA       LEU  22   8.627  12.289   4.688
  173   1HB   LEU  22           HB2      LEU  22   8.821  15.278   4.756
  174   2HB   LEU  22           HB1      LEU  22   7.461  14.544   5.606
  175    HG   LEU  22           HG       LEU  22   9.024  13.121   6.880
  176   1HD1  LEU  22          1HD1      LEU  22  10.817  12.978   5.181
  177   2HD1  LEU  22          3HD1      LEU  22  11.181  14.686   5.433
  178   3HD1  LEU  22          2HD1      LEU  22  11.450  13.525   6.732
  179   1HD2  LEU  22          3HD2      LEU  22   8.440  15.692   7.410
  180   2HD2  LEU  22          2HD2      LEU  22   9.544  14.764   8.423
  181   3HD2  LEU  22          1HD2      LEU  22  10.184  15.864   7.208
  182    H    CYS  23           HN       CYS  23   7.616  14.509   2.162
  183    HA   CYS  23           HA       CYS  23   4.780  13.661   2.468
  184   1HB   CYS  23           HB2      CYS  23   6.134  15.725   0.766
  185   2HB   CYS  23           HB1      CYS  23   4.426  15.370   0.653
  186    H    GLN  24           HN       GLN  24   7.531  12.834   0.521
  187    HA   GLN  24           HA       GLN  24   5.978  11.988  -1.795
  188   1HB   GLN  24           HB2      GLN  24   8.838  11.655  -0.896
  189   2HB   GLN  24           HB1      GLN  24   8.228  10.738  -2.270
  190   1HG   GLN  24           HG2      GLN  24   7.703  12.727  -3.489
  191   2HG   GLN  24           HG1      GLN  24   7.946  13.742  -2.066
  192   1HE2  GLN  24          1HE2      GLN  24  10.263  11.218  -2.251
  193   2HE2  GLN  24          2HE2      GLN  24  11.540  12.126  -2.903
  194    H    HIS  25           HN       HIS  25   6.685  10.663   1.296
  195    HA   HIS  25           HA       HIS  25   6.438   7.866   0.494
  196   1HB   HIS  25           HB2      HIS  25   6.434   9.262   3.179
  197   2HB   HIS  25           HB1      HIS  25   6.247   7.517   3.008
  198    HD1  HIS  25           HD1      HIS  25   8.607   7.516   4.374
  199    HD2  HIS  25           HD2      HIS  25   8.749   8.895   0.442
  200    HE1  HIS  25           HE1      HIS  25  11.041   7.452   3.681
  201    H    TYR  26           HN       TYR  26   4.329  10.276   2.035
  202    HA   TYR  26           HA       TYR  26   2.071   8.355   1.989
  203   1HB   TYR  26           HB2      TYR  26   1.953  11.167   3.064
  204   2HB   TYR  26           HB1      TYR  26   1.060   9.740   3.573
  205    HD1  TYR  26           HD1      TYR  26   3.988  11.757   4.121
  206    HD2  TYR  26           HD2      TYR  26   2.352   7.813   4.649
  207    HE1  TYR  26           HE1      TYR  26   5.704  11.262   5.856
  208    HE2  TYR  26           HE2      TYR  26   4.068   7.327   6.369
  209    HH   TYR  26           HH       TYR  26   6.757   9.448   6.931
  210    H    ILE  27           HN       ILE  27   0.210  10.541   2.009
  211    HA   ILE  27           HA       ILE  27  -0.158  10.852  -0.917
  212    HB   ILE  27           HB       ILE  27  -1.937  11.526   1.451
  213   1HG1  ILE  27          2HG1      ILE  27  -3.336   9.696   0.476
  214   2HG1  ILE  27          1HG1      ILE  27  -2.073   9.400  -0.716
  215   1HG2  ILE  27          3HG2      ILE  27  -2.316  11.933  -1.522
  216   2HG2  ILE  27          2HG2      ILE  27  -3.678  11.831  -0.406
  217   3HG2  ILE  27          1HG2      ILE  27  -2.491  13.122  -0.233
  218   1HD1  ILE  27          3HD1      ILE  27  -1.343   9.388   2.202
  219   2HD1  ILE  27          2HD1      ILE  27  -2.155   7.983   1.512
  220   3HD1  ILE  27          1HD1      ILE  27  -0.607   8.510   0.858
  221    H    GLY  28           HN       GLY  28  -0.276  12.890  -1.942
  222   1HA   GLY  28           HA1      GLY  28  -0.085  15.257  -2.145
  223   2HA   GLY  28           HA2      GLY  28   1.501  14.872  -1.482
  224    H    TRP  29           HN       TRP  29  -1.473  14.482   0.358
  225    HA   TRP  29           HA       TRP  29  -1.089  17.026   1.791
  226   1HB   TRP  29           HB2      TRP  29  -3.374  16.126   1.328
  227   2HB   TRP  29           HB1      TRP  29  -3.008  14.743   2.361
  228    HD1  TRP  29           HD1      TRP  29  -2.960  18.606   2.638
  229    HE1  TRP  29           HE1      TRP  29  -3.718  19.248   5.012
  230    HE3  TRP  29           HE3      TRP  29  -3.573  13.952   4.646
  231    HZ2  TRP  29           HZ2      TRP  29  -4.481  17.951   7.455
  232    HZ3  TRP  29           HZ3      TRP  29  -4.316  13.683   6.994
  233    HH2  TRP  29           HH2      TRP  29  -4.771  15.674   8.399
  234    H    CYS  30           HN       CYS  30   0.398  17.138   3.397
  235    HA   CYS  30           HA       CYS  30   0.719  14.802   5.226
  236   1HB   CYS  30           HB2      CYS  30   3.296  15.644   5.131
  237   2HB   CYS  30           HB1      CYS  30   2.672  14.399   4.050
  238    HA   PRO  31           HA       PRO  31   0.403  18.042   8.259
  239   1HB   PRO  31           HB2      PRO  31   1.663  16.884  10.408
  240   2HB   PRO  31           HB1      PRO  31   0.055  16.385   9.845
  241   1HG   PRO  31           HG2      PRO  31   2.712  15.119   9.326
  242   2HG   PRO  31           HG1      PRO  31   1.157  14.357   9.712
  243   1HD   PRO  31           HD2      PRO  31   2.129  14.483   7.162
  244   2HD   PRO  31           HD1      PRO  31   0.388  14.503   7.522
  245    H    PHE  32           HN       PHE  32   3.108  17.534   6.599
  246    HA   PHE  32           HA       PHE  32   4.949  19.080   8.363
  247   1HB   PHE  32           HB2      PHE  32   5.345  17.555   5.778
  248   2HB   PHE  32           HB1      PHE  32   6.598  18.564   6.498
  249    HD1  PHE  32           HD1      PHE  32   5.234  15.299   6.417
  250    HD2  PHE  32           HD2      PHE  32   7.043  18.151   9.074
  251    HE1  PHE  32           HE1      PHE  32   5.856  13.464   7.965
  252    HE2  PHE  32           HE2      PHE  32   7.662  16.315  10.621
  253    HZ   PHE  32           HZ       PHE  32   7.069  13.972  10.067
  254    H    TRP  33           HN       TRP  33   2.680  19.604   5.915
  255    HA   TRP  33           HA       TRP  33   4.072  21.821   4.598
  256   1HB   TRP  33           HB2      TRP  33   1.325  20.598   4.456
  257   2HB   TRP  33           HB1      TRP  33   1.587  22.190   3.747
  258    HD1  TRP  33           HD1      TRP  33   4.396  19.680   3.704
  259    HE1  TRP  33           HE1      TRP  33   4.840  18.919   1.287
  260    HE3  TRP  33           HE3      TRP  33   0.376  21.786   1.399
  261    HZ2  TRP  33           HZ2      TRP  33   3.622  19.163  -1.300
  262    HZ3  TRP  33           HZ3      TRP  33   0.033  21.509  -1.041
  263    HH2  TRP  33           HH2      TRP  33   1.649  20.201  -2.392

  No H/Q in entry =         263
  Start of MODEL    2
    1    H1   ASN   1           HT3      ASN   1  41.328 -37.622  16.922
    2    H2   ASN   1           HT2      ASN   1  42.654 -36.915  16.129
    3    H3   ASN   1           HT1      ASN   1  42.276 -36.467  17.724
    4    HA   ASN   1           HA       ASN   1  41.400 -34.706  16.575
    5   1HB   ASN   1           HB2      ASN   1  41.912 -35.766  14.352
    6   2HB   ASN   1           HB1      ASN   1  40.395 -36.658  14.484
    7   1HD2  ASN   1          1HD2      ASN   1  41.659 -33.285  14.515
    8   2HD2  ASN   1          2HD2      ASN   1  40.257 -32.596  13.851
    9    H    GLU   2           HN       GLU   2  40.190 -35.083  18.629
   10    HA   GLU   2           HA       GLU   2  38.257 -35.612  19.879
   11   1HB   GLU   2           HB2      GLU   2  36.285 -34.425  18.990
   12   2HB   GLU   2           HB1      GLU   2  37.740 -33.447  18.862
   13   1HG   GLU   2           HG2      GLU   2  37.931 -33.887  16.507
   14   2HG   GLU   2           HG1      GLU   2  36.681 -35.130  16.573
   15    H    LEU   3           HN       LEU   3  35.589 -35.971  18.396
   16    HA   LEU   3           HA       LEU   3  35.756 -38.887  18.295
   17   1HB   LEU   3           HB2      LEU   3  33.394 -37.184  17.453
   18   2HB   LEU   3           HB1      LEU   3  33.379 -38.864  17.956
   19    HG   LEU   3           HG       LEU   3  32.604 -37.734  19.864
   20   1HD1  LEU   3          3HD1      LEU   3  34.568 -39.288  20.264
   21   2HD1  LEU   3          2HD1      LEU   3  35.579 -37.845  20.390
   22   3HD1  LEU   3          1HD1      LEU   3  34.266 -38.107  21.540
   23   1HD2  LEU   3          3HD2      LEU   3  33.671 -35.434  18.841
   24   2HD2  LEU   3          2HD2      LEU   3  33.098 -35.591  20.495
   25   3HD2  LEU   3          1HD2      LEU   3  34.813 -35.754  20.146
   26    H    ASP   4           HN       ASP   4  34.268 -39.745  16.241
   27    HA   ASP   4           HA       ASP   4  35.118 -38.445  13.735
   28   1HB   ASP   4           HB2      ASP   4  36.173 -40.583  12.911
   29   2HB   ASP   4           HB1      ASP   4  37.085 -39.782  14.191
   30    H    VAL   5           HN       VAL   5  32.571 -38.919  14.892
   31    HA   VAL   5           HA       VAL   5  31.415 -40.963  13.025
   32    HB   VAL   5           HB       VAL   5  29.455 -40.680  14.872
   33   1HG1  VAL   5          1HG1      VAL   5  31.930 -42.406  15.134
   34   2HG1  VAL   5          3HG1      VAL   5  30.454 -42.650  16.068
   35   3HG1  VAL   5          2HG1      VAL   5  30.426 -42.826  14.313
   36   1HG2  VAL   5          1HG2      VAL   5  30.984 -38.994  16.080
   37   2HG2  VAL   5          3HG2      VAL   5  30.263 -40.267  17.063
   38   3HG2  VAL   5          2HG2      VAL   5  31.948 -40.390  16.555
   39    HA   PRO   6           HA       PRO   6  29.218 -37.596  11.179
   40   1HB   PRO   6           HB2      PRO   6  26.846 -38.771  10.441
   41   2HB   PRO   6           HB1      PRO   6  28.387 -39.095   9.621
   42   1HG   PRO   6           HG2      PRO   6  26.979 -40.717  11.697
   43   2HG   PRO   6           HG1      PRO   6  27.820 -41.252  10.230
   44   1HD   PRO   6           HD2      PRO   6  28.964 -41.393  12.709
   45   2HD   PRO   6           HD1      PRO   6  29.918 -41.141  11.231
   46    H    GLU   7           HN       GLU   7  28.873 -37.982  14.164
   47    HA   GLU   7           HA       GLU   7  26.163 -37.558  14.921
   48   1HB   GLU   7           HB2      GLU   7  27.179 -36.435  16.955
   49   2HB   GLU   7           HB1      GLU   7  27.791 -38.058  16.631
   50   1HG   GLU   7           HG2      GLU   7  29.753 -37.103  15.493
   51   2HG   GLU   7           HG1      GLU   7  29.142 -35.476  15.791
   52    H    GLN   8           HN       GLN   8  28.551 -35.482  13.513
   53    HA   GLN   8           HA       GLN   8  27.156 -32.995  14.113
   54   1HB   GLN   8           HB2      GLN   8  29.166 -33.329  11.895
   55   2HB   GLN   8           HB1      GLN   8  28.874 -31.933  12.925
   56   1HG   GLN   8           HG2      GLN   8  29.647 -33.363  14.884
   57   2HG   GLN   8           HG1      GLN   8  30.200 -34.536  13.688
   58   1HE2  GLN   8          1HE2      GLN   8  30.559 -31.686  12.100
   59   2HE2  GLN   8          2HE2      GLN   8  32.148 -31.288  12.547
   60    H    VAL   9           HN       VAL   9  27.771 -34.751  11.059
   61    HA   VAL   9           HA       VAL   9  26.145 -33.336   9.327
   62    HB   VAL   9           HB       VAL   9  26.543 -36.334   9.540
   63   1HG1  VAL   9          3HG1      VAL   9  25.162 -34.667   7.431
   64   2HG1  VAL   9          2HG1      VAL   9  25.848 -36.252   7.071
   65   3HG1  VAL   9          1HG1      VAL   9  24.553 -36.101   8.258
   66   1HG2  VAL   9          1HG2      VAL   9  27.783 -34.156   7.830
   67   2HG2  VAL   9          3HG2      VAL   9  28.583 -35.081   9.101
   68   3HG2  VAL   9          2HG2      VAL   9  28.082 -35.880   7.611
   69    H    ASP  10           HN       ASP  10  25.143 -35.327  12.000
   70    HA   ASP  10           HA       ASP  10  22.423 -35.775  11.204
   71   1HB   ASP  10           HB2      ASP  10  23.681 -35.517  13.952
   72   2HB   ASP  10           HB1      ASP  10  22.013 -36.018  13.681
   73    H    LYS  11           HN       LYS  11  23.519 -33.506  13.719
   74    HA   LYS  11           HA       LYS  11  21.360 -31.901  14.089
   75   1HB   LYS  11           HB2      LYS  11  24.222 -30.993  13.702
   76   2HB   LYS  11           HB1      LYS  11  22.948 -29.883  14.189
   77   1HG   LYS  11           HG2      LYS  11  23.563 -30.502  16.316
   78   2HG   LYS  11           HG1      LYS  11  22.531 -31.889  16.012
   79   1HD   LYS  11           HD2      LYS  11  24.480 -32.963  16.691
   80   2HD   LYS  11           HD1      LYS  11  24.735 -32.914  14.948
   81   1HE   LYS  11           HE2      LYS  11  26.744 -32.175  16.234
   82   2HE   LYS  11           HE1      LYS  11  26.123 -30.915  15.167
   83   1HZ   LYS  11           HZ3      LYS  11  25.212 -31.082  17.964
   84   2HZ   LYS  11           HZ2      LYS  11  26.695 -30.340  17.596
   85   3HZ   LYS  11           HZ1      LYS  11  25.251 -29.737  16.933
   86    H    LEU  12           HN       LEU  12  23.402 -31.742  11.182
   87    HA   LEU  12           HA       LEU  12  22.084 -29.503  10.005
   88   1HB   LEU  12           HB2      LEU  12  23.804 -31.738   9.016
   89   2HB   LEU  12           HB1      LEU  12  22.883 -30.851   7.810
   90    HG   LEU  12           HG       LEU  12  25.232 -29.975   8.272
   91   1HD1  LEU  12          1HD1      LEU  12  23.147 -28.621   7.385
   92   2HD1  LEU  12          3HD1      LEU  12  23.242 -27.818   8.952
   93   3HD1  LEU  12          2HD1      LEU  12  24.614 -27.768   7.850
   94   1HD2  LEU  12          3HD2      LEU  12  24.815 -30.321  10.847
   95   2HD2  LEU  12          2HD2      LEU  12  25.772 -28.946  10.302
   96   3HD2  LEU  12          1HD2      LEU  12  24.086 -28.713  10.763
   97    H    ILE  13           HN       ILE  13  21.565 -33.007   9.491
   98    HA   ILE  13           HA       ILE  13  19.293 -32.763   7.817
   99    HB   ILE  13           HB       ILE  13  19.953 -34.876   9.896
  100   1HG1  ILE  13          2HG1      ILE  13  20.210 -35.000   6.882
  101   2HG1  ILE  13          1HG1      ILE  13  21.530 -34.463   7.921
  102   1HG2  ILE  13          3HG2      ILE  13  17.830 -34.751   7.745
  103   2HG2  ILE  13          2HG2      ILE  13  18.387 -36.275   8.436
  104   3HG2  ILE  13          1HG2      ILE  13  17.612 -35.072   9.466
  105   1HD1  ILE  13          1HD1      ILE  13  21.381 -36.615   9.169
  106   2HD1  ILE  13          3HD1      ILE  13  20.136 -37.154   8.042
  107   3HD1  ILE  13          2HD1      ILE  13  21.776 -36.852   7.467
  108    H    GLN  14           HN       GLN  14  19.454 -33.087  11.374
  109    HA   GLN  14           HA       GLN  14  16.669 -32.769  11.852
  110   1HB   GLN  14           HB2      GLN  14  19.112 -32.179  13.531
  111   2HB   GLN  14           HB1      GLN  14  17.473 -31.983  14.143
  112   1HG   GLN  14           HG2      GLN  14  18.459 -34.558  12.902
  113   2HG   GLN  14           HG1      GLN  14  18.546 -34.236  14.634
  114   1HE2  GLN  14          1HE2      GLN  14  16.230 -33.253  15.443
  115   2HE2  GLN  14          2HE2      GLN  14  14.892 -34.168  14.938
  116    H    GLN  15           HN       GLN  15  19.314 -30.366  11.809
  117    HA   GLN  15           HA       GLN  15  17.672 -28.090  12.365
  118   1HB   GLN  15           HB2      GLN  15  20.322 -28.419  10.961
  119   2HB   GLN  15           HB1      GLN  15  19.572 -26.839  11.133
  120   1HG   GLN  15           HG2      GLN  15  20.025 -28.675  13.491
  121   2HG   GLN  15           HG1      GLN  15  21.233 -27.503  12.962
  122   1HE2  GLN  15          1HE2      GLN  15  20.206 -25.164  12.632
  123   2HE2  GLN  15          2HE2      GLN  15  19.133 -24.665  13.849
  124    H    ALA  16           HN       ALA  16  18.997 -29.137   9.189
  125    HA   ALA  16           HA       ALA  16  17.447 -27.369   7.617
  126   1HB   ALA  16           HB1      ALA  16  18.380 -30.174   6.945
  127   2HB   ALA  16           HB3      ALA  16  17.771 -29.003   5.775
  128   3HB   ALA  16           HB2      ALA  16  19.269 -28.680   6.648
  129    H    THR  17           HN       THR  17  16.623 -30.438   9.107
  130    HA   THR  17           HA       THR  17  14.077 -30.722   7.719
  131    HB   THR  17           HB       THR  17  15.214 -31.960  10.240
  132    HG1  THR  17           HG1      THR  17  14.439 -33.184   7.821
  133   1HG2  THR  17          2HG2      THR  17  12.482 -32.268   8.992
  134   2HG2  THR  17          1HG2      THR  17  13.192 -33.526  10.004
  135   3HG2  THR  17          3HG2      THR  17  12.880 -31.925  10.677
  136    H    SER  18           HN       SER  18  15.055 -29.684  10.981
  137    HA   SER  18           HA       SER  18  12.646 -28.960  12.104
  138   1HB   SER  18           HB2      SER  18  13.845 -27.412  13.464
  139   2HB   SER  18           HB1      SER  18  15.004 -28.669  13.053
  140    HG   SER  18           HG       SER  18  16.147 -27.088  12.288
  141    H    ILE  19           HN       ILE  19  14.603 -26.376  10.494
  142    HA   ILE  19           HA       ILE  19  12.809 -24.411  10.196
  143    HB   ILE  19           HB       ILE  19  14.952 -25.512   8.390
  144   1HG1  ILE  19          2HG1      ILE  19  15.984 -23.313   8.917
  145   2HG1  ILE  19          1HG1      ILE  19  14.550 -22.880   9.844
  146   1HG2  ILE  19          3HG2      ILE  19  13.111 -23.211   7.683
  147   2HG2  ILE  19          2HG2      ILE  19  14.698 -23.440   6.960
  148   3HG2  ILE  19          1HG2      ILE  19  13.442 -24.650   6.719
  149   1HD1  ILE  19          3HD1      ILE  19  16.238 -25.323  10.438
  150   2HD1  ILE  19          2HD1      ILE  19  16.460 -23.766  11.234
  151   3HD1  ILE  19          1HD1      ILE  19  14.943 -24.645  11.430
  152    H    GLU  20           HN       GLU  20  12.912 -27.166   7.875
  153    HA   GLU  20           HA       GLU  20  10.971 -26.339   6.091
  154   1HB   GLU  20           HB2      GLU  20  11.335 -29.118   7.239
  155   2HB   GLU  20           HB1      GLU  20  10.358 -28.755   5.819
  156   1HG   GLU  20           HG2      GLU  20  13.251 -27.905   6.013
  157   2HG   GLU  20           HG1      GLU  20  12.790 -29.492   5.399
  158    H    ARG  21           HN       ARG  21  10.172 -28.204   9.067
  159    HA   ARG  21           HA       ARG  21   7.343 -27.521   8.695
  160   1HB   ARG  21           HB2      ARG  21   8.837 -29.203  10.706
  161   2HB   ARG  21           HB1      ARG  21   7.111 -28.870  10.855
  162   1HG   ARG  21           HG2      ARG  21   7.453 -30.999   9.683
  163   2HG   ARG  21           HG1      ARG  21   6.749 -29.812   8.587
  164   1HD   ARG  21           HD2      ARG  21   8.747 -29.529   7.397
  165   2HD   ARG  21           HD1      ARG  21   9.743 -30.111   8.731
  166    HE   ARG  21           HE       ARG  21   9.433 -32.298   7.919
  167   1HH1  ARG  21          1HH1      ARG  21   8.116 -33.913   6.965
  168   2HH1  ARG  21          2HH1      ARG  21   6.955 -33.435   5.772
  169   1HH2  ARG  21          1HH2      ARG  21   7.466 -30.039   6.248
  170   2HH2  ARG  21          2HH2      ARG  21   6.589 -31.243   5.366
  171    H    LEU  22           HN       LEU  22  10.037 -26.275  10.474
  172    HA   LEU  22           HA       LEU  22   8.355 -24.964  12.505
  173   1HB   LEU  22           HB2      LEU  22  11.293 -25.185  11.934
  174   2HB   LEU  22           HB1      LEU  22  10.745 -23.819  12.907
  175    HG   LEU  22           HG       LEU  22   9.654 -25.358  14.487
  176   1HD1  LEU  22          2HD1      LEU  22  10.786 -27.539  12.715
  177   2HD1  LEU  22          1HD1      LEU  22   9.999 -27.796  14.267
  178   3HD1  LEU  22          3HD1      LEU  22   9.077 -27.156  12.909
  179   1HD2  LEU  22          1HD2      LEU  22  12.574 -25.516  13.878
  180   2HD2  LEU  22          3HD2      LEU  22  11.755 -25.039  15.362
  181   3HD2  LEU  22          2HD2      LEU  22  11.954 -26.744  14.982
  182    H    CYS  23           HN       CYS  23   9.994 -24.077   9.507
  183    HA   CYS  23           HA       CYS  23   9.312 -21.219   9.890
  184   1HB   CYS  23           HB2      CYS  23  10.855 -22.735   7.800
  185   2HB   CYS  23           HB1      CYS  23  10.427 -21.052   7.577
  186    H    GLN  24           HN       GLN  24   7.777 -23.946   8.545
  187    HA   GLN  24           HA       GLN  24   6.459 -22.560   6.352
  188   1HB   GLN  24           HB2      GLN  24   6.146 -25.230   7.706
  189   2HB   GLN  24           HB1      GLN  24   4.888 -24.666   6.610
  190   1HG   GLN  24           HG2      GLN  24   7.791 -24.637   5.776
  191   2HG   GLN  24           HG1      GLN  24   6.816 -26.098   5.616
  192   1HE2  GLN  24          1HE2      GLN  24   7.676 -23.218   4.026
  193   2HE2  GLN  24          2HE2      GLN  24   6.432 -23.196   2.871
  194    H    HIS  25           HN       HIS  25   6.015 -22.619   9.745
  195    HA   HIS  25           HA       HIS  25   3.134 -21.896   9.546
  196   1HB   HIS  25           HB2      HIS  25   4.910 -22.287  11.973
  197   2HB   HIS  25           HB1      HIS  25   3.168 -22.021  12.004
  198    HD1  HIS  25           HD1      HIS  25   2.045 -24.192  12.462
  199    HD2  HIS  25           HD2      HIS  25   5.302 -24.673   9.905
  200    HE1  HIS  25           HE1      HIS  25   2.107 -26.645  11.835
  201    H    TYR  26           HN       TYR  26   6.234 -20.366   9.855
  202    HA   TYR  26           HA       TYR  26   5.014 -17.899  10.981
  203   1HB   TYR  26           HB2      TYR  26   7.875 -18.754  10.517
  204   2HB   TYR  26           HB1      TYR  26   7.418 -17.152  11.074
  205    HD1  TYR  26           HD1      TYR  26   8.405 -20.321  12.164
  206    HD2  TYR  26           HD2      TYR  26   5.613 -17.193  13.098
  207    HE1  TYR  26           HE1      TYR  26   8.209 -21.186  14.478
  208    HE2  TYR  26           HE2      TYR  26   5.422 -18.056  15.413
  209    HH   TYR  26           HH       TYR  26   7.028 -19.479  16.981
  210    H    ILE  27           HN       ILE  27   6.441 -15.956  10.020
  211    HA   ILE  27           HA       ILE  27   5.536 -15.715   7.210
  212    HB   ILE  27           HB       ILE  27   6.703 -13.712   9.167
  213   1HG1  ILE  27          2HG1      ILE  27   4.401 -12.748   9.003
  214   2HG1  ILE  27          1HG1      ILE  27   3.935 -14.105   7.980
  215   1HG2  ILE  27          1HG2      ILE  27   5.861 -13.412   6.276
  216   2HG2  ILE  27          3HG2      ILE  27   5.938 -12.043   7.385
  217   3HG2  ILE  27          2HG2      ILE  27   7.398 -12.957   7.010
  218   1HD1  ILE  27          3HD1      ILE  27   5.181 -14.693  10.650
  219   2HD1  ILE  27          2HD1      ILE  27   3.498 -14.173  10.594
  220   3HD1  ILE  27          1HD1      ILE  27   3.997 -15.626   9.733
  221    H    GLY  28           HN       GLY  28   6.987 -14.839   5.555
  222   1HA   GLY  28           HA1      GLY  28   9.096 -14.535   4.486
  223   2HA   GLY  28           HA2      GLY  28   9.187 -16.252   4.870
  224    H    TRP  29           HN       TRP  29   9.378 -13.393   7.016
  225    HA   TRP  29           HA       TRP  29  12.231 -13.679   7.433
  226   1HB   TRP  29           HB2      TRP  29  11.014 -11.542   7.839
  227   2HB   TRP  29           HB1      TRP  29  10.173 -12.301   9.191
  228    HD1  TRP  29           HD1      TRP  29  13.883 -12.092   8.093
  229    HE1  TRP  29           HE1      TRP  29  15.302 -11.531  10.164
  230    HE3  TRP  29           HE3      TRP  29  10.203 -11.790  11.622
  231    HZ2  TRP  29           HZ2      TRP  29  14.928 -11.015  12.958
  232    HZ3  TRP  29           HZ3      TRP  29  10.763 -11.264  13.978
  233    HH2  TRP  29           HH2      TRP  29  13.118 -10.876  14.650
  234    H    CYS  30           HN       CYS  30  12.390 -15.975   7.935
  235    HA   CYS  30           HA       CYS  30  11.140 -16.877  10.467
  236   1HB   CYS  30           HB2      CYS  30  11.227 -18.234   8.264
  237   2HB   CYS  30           HB1      CYS  30  12.914 -18.536   8.678
  238    HA   PRO  31           HA       PRO  31  15.303 -15.894  12.126
  239   1HB   PRO  31           HB2      PRO  31  14.636 -15.812  14.783
  240   2HB   PRO  31           HB1      PRO  31  14.334 -14.464  13.673
  241   1HG   PRO  31           HG2      PRO  31  12.436 -16.482  14.751
  242   2HG   PRO  31           HG1      PRO  31  12.170 -14.773  14.368
  243   1HD   PRO  31           HD2      PRO  31  11.398 -16.913  12.743
  244   2HD   PRO  31           HD1      PRO  31  11.596 -15.239  12.184
  245    H    PHE  32           HN       PHE  32  14.743 -18.487  11.316
  246    HA   PHE  32           HA       PHE  32  15.603 -20.199  13.634
  247   1HB   PHE  32           HB2      PHE  32  13.982 -20.829  11.157
  248   2HB   PHE  32           HB1      PHE  32  14.699 -22.085  12.166
  249    HD1  PHE  32           HD1      PHE  32  12.650 -18.949  12.527
  250    HD2  PHE  32           HD2      PHE  32  13.407 -22.944  13.924
  251    HE1  PHE  32           HE1      PHE  32  10.755 -18.756  14.111
  252    HE2  PHE  32           HE2      PHE  32  11.505 -22.745  15.504
  253    HZ   PHE  32           HZ       PHE  32  10.185 -20.652  15.601
  254    H    TRP  33           HN       TRP  33  16.101 -19.498  10.182
  255    HA   TRP  33           HA       TRP  33  18.086 -21.369   9.570
  256   1HB   TRP  33           HB2      TRP  33  17.838 -18.470   8.738
  257   2HB   TRP  33           HB1      TRP  33  19.023 -19.571   8.037
  258    HD1  TRP  33           HD1      TRP  33  17.591 -22.113   7.428
  259    HE1  TRP  33           HE1      TRP  33  15.549 -22.265   5.879
  260    HE3  TRP  33           HE3      TRP  33  16.007 -17.261   7.590
  261    HZ2  TRP  33           HZ2      TRP  33  13.509 -20.548   4.821
  262    HZ3  TRP  33           HZ3      TRP  33  14.016 -16.547   6.300
  263    HH2  TRP  33           HH2      TRP  33  12.766 -18.182   4.917

  No H/Q in entry =         263
  Start of MODEL    3
    1    H1   ASN   1           HT1      ASN   1  44.755  -2.632  10.542
    2    H2   ASN   1           HT3      ASN   1  44.874  -3.956   9.489
    3    H3   ASN   1           HT2      ASN   1  45.555  -2.461   9.053
    4    HA   ASN   1           HA       ASN   1  43.391  -1.450   8.907
    5   1HB   ASN   1           HB2      ASN   1  44.401  -2.809   6.982
    6   2HB   ASN   1           HB1      ASN   1  43.291  -4.098   7.450
    7   1HD2  ASN   1          1HD2      ASN   1  41.396  -4.037   6.249
    8   2HD2  ASN   1          2HD2      ASN   1  40.650  -2.628   5.665
    9    H    GLU   2           HN       GLU   2  43.243  -2.904  11.412
   10    HA   GLU   2           HA       GLU   2  41.662  -3.943  12.802
   11   1HB   GLU   2           HB2      GLU   2  39.792  -2.727  10.745
   12   2HB   GLU   2           HB1      GLU   2  39.321  -3.297  12.345
   13   1HG   GLU   2           HG2      GLU   2  39.634  -0.945  12.575
   14   2HG   GLU   2           HG1      GLU   2  41.065  -1.692  13.287
   15    H    LEU   3           HN       LEU   3  39.027  -4.954  11.725
   16    HA   LEU   3           HA       LEU   3  40.074  -7.555  10.771
   17   1HB   LEU   3           HB2      LEU   3  37.170  -6.930  11.329
   18   2HB   LEU   3           HB1      LEU   3  37.986  -8.483  11.379
   19    HG   LEU   3           HG       LEU   3  37.703  -7.923  13.652
   20   1HD1  LEU   3          1HD1      LEU   3  40.091  -8.514  12.887
   21   2HD1  LEU   3          3HD1      LEU   3  40.463  -6.811  13.167
   22   3HD1  LEU   3          2HD1      LEU   3  39.900  -7.822  14.497
   23   1HD2  LEU   3          1HD2      LEU   3  37.376  -5.325  12.905
   24   2HD2  LEU   3          3HD2      LEU   3  37.669  -5.823  14.566
   25   3HD2  LEU   3          2HD2      LEU   3  39.001  -5.236  13.580
   26    H    ASP   4           HN       ASP   4  39.263  -8.551   8.836
   27    HA   ASP   4           HA       ASP   4  37.439  -7.211   7.052
   28   1HB   ASP   4           HB2      ASP   4  39.026  -6.521   5.318
   29   2HB   ASP   4           HB1      ASP   4  39.398  -5.688   6.828
   30    H    VAL   5           HN       VAL   5  37.253  -9.738   7.786
   31    HA   VAL   5           HA       VAL   5  38.353 -11.354   5.512
   32    HB   VAL   5           HB       VAL   5  37.846 -13.260   7.346
   33   1HG1  VAL   5          1HG1      VAL   5  40.304 -11.486   7.377
   34   2HG1  VAL   5          3HG1      VAL   5  40.215 -13.119   8.039
   35   3HG1  VAL   5          2HG1      VAL   5  40.036 -12.859   6.304
   36   1HG2  VAL   5          2HG2      VAL   5  37.019 -11.392   8.917
   37   2HG2  VAL   5          1HG2      VAL   5  38.157 -12.558   9.589
   38   3HG2  VAL   5          3HG2      VAL   5  38.718 -10.960   9.099
   39    HA   PRO   6           HA       PRO   6  34.118 -12.175   4.496
   40   1HB   PRO   6           HB2      PRO   6  34.261 -14.709   3.445
   41   2HB   PRO   6           HB1      PRO   6  34.881 -13.274   2.604
   42   1HG   PRO   6           HG2      PRO   6  36.370 -15.318   4.196
   43   2HG   PRO   6           HG1      PRO   6  36.811 -14.545   2.662
   44   1HD   PRO   6           HD2      PRO   6  37.862 -13.754   5.060
   45   2HD   PRO   6           HD1      PRO   6  37.621 -12.632   3.703
   46    H    GLU   7           HN       GLU   7  35.018 -12.913   7.288
   47    HA   GLU   7           HA       GLU   7  33.919 -15.427   8.051
   48   1HB   GLU   7           HB2      GLU   7  33.713 -14.353  10.335
   49   2HB   GLU   7           HB1      GLU   7  35.320 -14.242   9.617
   50   1HG   GLU   7           HG2      GLU   7  34.760 -11.957   8.795
   51   2HG   GLU   7           HG1      GLU   7  33.202 -12.070   9.614
   52    H    GLN   8           HN       GLN   8  32.470 -12.236   7.643
   53    HA   GLN   8           HA       GLN   8  29.878 -12.999   8.675
   54   1HB   GLN   8           HB2      GLN   8  30.326 -10.774   6.691
   55   2HB   GLN   8           HB1      GLN   8  29.169 -10.860   8.015
   56   1HG   GLN   8           HG2      GLN   8  31.163 -10.903   9.597
   57   2HG   GLN   8           HG1      GLN   8  32.159 -10.478   8.205
   58   1HE2  GLN   8          1HE2      GLN   8  31.581  -8.792  10.609
   59   2HE2  GLN   8          2HE2      GLN   8  30.852  -7.379  10.016
   60    H    VAL   9           HN       VAL   9  30.970 -12.315   5.332
   61    HA   VAL   9           HA       VAL   9  28.750 -13.142   3.902
   62    HB   VAL   9           HB       VAL   9  31.677 -13.650   3.291
   63   1HG1  VAL   9          3HG1      VAL   9  29.195 -14.017   1.603
   64   2HG1  VAL   9          2HG1      VAL   9  30.790 -13.773   0.890
   65   3HG1  VAL   9          1HG1      VAL   9  30.484 -15.181   1.907
   66   1HG2  VAL   9          2HG2      VAL   9  31.011 -11.283   3.518
   67   2HG2  VAL   9          1HG2      VAL   9  31.396 -11.669   1.841
   68   3HG2  VAL   9          3HG2      VAL   9  29.713 -11.535   2.352
   69    H    ASP  10           HN       ASP  10  30.839 -15.103   5.844
   70    HA   ASP  10           HA       ASP  10  30.319 -17.660   4.663
   71   1HB   ASP  10           HB2      ASP  10  32.035 -17.088   6.484
   72   2HB   ASP  10           HB1      ASP  10  30.692 -17.168   7.625
   73    H    LYS  11           HN       LYS  11  28.950 -16.479   7.731
   74    HA   LYS  11           HA       LYS  11  26.864 -18.166   8.166
   75   1HB   LYS  11           HB2      LYS  11  26.807 -15.142   8.356
   76   2HB   LYS  11           HB1      LYS  11  25.474 -16.143   8.921
   77   1HG   LYS  11           HG2      LYS  11  26.627 -16.112  10.911
   78   2HG   LYS  11           HG1      LYS  11  27.562 -17.403  10.176
   79   1HD   LYS  11           HD2      LYS  11  29.256 -15.950  10.856
   80   2HD   LYS  11           HD1      LYS  11  29.007 -15.428   9.192
   81   1HE   LYS  11           HE2      LYS  11  29.118 -13.517  10.801
   82   2HE   LYS  11           HE1      LYS  11  27.584 -13.589   9.934
   83   1HZ   LYS  11           HZ3      LYS  11  27.675 -15.085  12.411
   84   2HZ   LYS  11           HZ2      LYS  11  27.810 -13.401  12.591
   85   3HZ   LYS  11           HZ1      LYS  11  26.463 -14.069  11.801
   86    H    LEU  12           HN       LEU  12  26.818 -15.623   5.678
   87    HA   LEU  12           HA       LEU  12  24.121 -16.044   4.851
   88   1HB   LEU  12           HB2      LEU  12  26.565 -14.814   3.647
   89   2HB   LEU  12           HB1      LEU  12  25.246 -15.202   2.552
   90    HG   LEU  12           HG       LEU  12  25.235 -12.843   3.545
   91   1HD1  LEU  12          1HD1      LEU  12  23.196 -14.194   2.620
   92   2HD1  LEU  12          3HD1      LEU  12  22.713 -14.307   4.312
   93   3HD1  LEU  12          2HD1      LEU  12  22.897 -12.731   3.551
   94   1HD2  LEU  12          2HD2      LEU  12  25.819 -13.868   5.896
   95   2HD2  LEU  12          1HD2      LEU  12  24.739 -12.481   5.800
   96   3HD2  LEU  12          3HD2      LEU  12  24.073 -14.098   6.032
   97    H    ILE  13           HN       ILE  13  27.174 -17.356   3.545
   98    HA   ILE  13           HA       ILE  13  26.024 -19.098   1.633
   99    HB   ILE  13           HB       ILE  13  28.507 -19.470   3.340
  100   1HG1  ILE  13          2HG1      ILE  13  28.245 -18.652   0.434
  101   2HG1  ILE  13          1HG1      ILE  13  28.356 -17.486   1.754
  102   1HG2  ILE  13          2HG2      ILE  13  27.447 -21.012   0.962
  103   2HG2  ILE  13          1HG2      ILE  13  29.144 -21.052   1.439
  104   3HG2  ILE  13          3HG2      ILE  13  27.903 -21.644   2.544
  105   1HD1  ILE  13          2HD1      ILE  13  30.405 -19.642   1.159
  106   2HD1  ILE  13          1HD1      ILE  13  30.577 -17.937   0.744
  107   3HD1  ILE  13          3HD1      ILE  13  30.517 -18.431   2.436
  108    H    GLN  14           HN       GLN  14  26.888 -19.758   5.036
  109    HA   GLN  14           HA       GLN  14  25.808 -22.384   5.152
  110   1HB   GLN  14           HB2      GLN  14  26.285 -20.242   7.226
  111   2HB   GLN  14           HB1      GLN  14  25.580 -21.796   7.661
  112   1HG   GLN  14           HG2      GLN  14  28.174 -21.550   6.125
  113   2HG   GLN  14           HG1      GLN  14  28.110 -21.657   7.885
  114   1HE2  GLN  14          1HE2      GLN  14  25.908 -23.525   8.087
  115   2HE2  GLN  14          2HE2      GLN  14  26.439 -25.019   7.481
  116    H    GLN  15           HN       GLN  15  24.333 -19.242   6.016
  117    HA   GLN  15           HA       GLN  15  21.768 -20.280   6.719
  118   1HB   GLN  15           HB2      GLN  15  22.685 -17.590   5.705
  119   2HB   GLN  15           HB1      GLN  15  21.002 -17.898   6.100
  120   1HG   GLN  15           HG2      GLN  15  23.255 -18.455   8.038
  121   2HG   GLN  15           HG1      GLN  15  22.415 -16.905   7.978
  122   1HE2  GLN  15          1HE2      GLN  15  22.319 -19.978   9.413
  123   2HE2  GLN  15          2HE2      GLN  15  20.706 -19.955   9.940
  124    H    ALA  16           HN       ALA  16  22.700 -18.626   3.664
  125    HA   ALA  16           HA       ALA  16  20.353 -19.266   2.230
  126   1HB   ALA  16           HB1      ALA  16  23.205 -18.926   1.266
  127   2HB   ALA  16           HB2      ALA  16  21.928 -17.710   1.277
  128   3HB   ALA  16           HB3      ALA  16  21.826 -19.085   0.178
  129    H    THR  17           HN       THR  17  23.197 -21.195   2.942
  130    HA   THR  17           HA       THR  17  22.549 -23.361   1.125
  131    HB   THR  17           HB       THR  17  24.293 -23.190   3.595
  132    HG1  THR  17           HG1      THR  17  25.417 -23.898   1.241
  133   1HG2  THR  17          3HG2      THR  17  23.668 -25.546   1.816
  134   2HG2  THR  17          2HG2      THR  17  25.164 -25.450   2.747
  135   3HG2  THR  17          1HG2      THR  17  23.606 -25.464   3.577
  136    H    SER  18           HN       SER  18  22.189 -22.925   4.651
  137    HA   SER  18           HA       SER  18  20.830 -25.246   5.317
  138   1HB   SER  18           HB2      SER  18  19.913 -24.064   7.182
  139   2HB   SER  18           HB1      SER  18  21.456 -23.293   6.840
  140    HG   SER  18           HG       SER  18  19.915 -21.701   7.061
  141    H    ILE  19           HN       ILE  19  18.914 -22.254   4.816
  142    HA   ILE  19           HA       ILE  19  16.428 -23.206   4.418
  143    HB   ILE  19           HB       ILE  19  17.990 -21.019   3.066
  144   1HG1  ILE  19          2HG1      ILE  19  16.283 -19.622   4.222
  145   2HG1  ILE  19          1HG1      ILE  19  15.523 -21.091   4.822
  146   1HG2  ILE  19          3HG2      ILE  19  15.162 -21.823   2.336
  147   2HG2  ILE  19          2HG2      ILE  19  15.834 -20.229   2.017
  148   3HG2  ILE  19          1HG2      ILE  19  16.536 -21.643   1.244
  149   1HD1  ILE  19          1HD1      ILE  19  18.407 -20.351   5.362
  150   2HD1  ILE  19          3HD1      ILE  19  17.075 -20.014   6.470
  151   3HD1  ILE  19          2HD1      ILE  19  17.498 -21.684   6.082
  152    H    GLU  20           HN       GLU  20  18.784 -23.089   1.690
  153    HA   GLU  20           HA       GLU  20  17.186 -24.204  -0.291
  154   1HB   GLU  20           HB2      GLU  20  20.123 -24.627   0.278
  155   2HB   GLU  20           HB1      GLU  20  19.337 -25.282  -1.156
  156   1HG   GLU  20           HG2      GLU  20  18.754 -23.105  -1.950
  157   2HG   GLU  20           HG1      GLU  20  19.169 -22.357  -0.406
  158    H    ARG  21           HN       ARG  21  19.284 -26.170   1.876
  159    HA   ARG  21           HA       ARG  21  17.927 -28.600   1.039
  160   1HB   ARG  21           HB2      ARG  21  20.076 -27.970   3.056
  161   2HB   ARG  21           HB1      ARG  21  19.378 -29.584   2.943
  162   1HG   ARG  21           HG2      ARG  21  20.352 -28.255   0.420
  163   2HG   ARG  21           HG1      ARG  21  21.537 -28.945   1.526
  164   1HD   ARG  21           HD2      ARG  21  19.140 -30.550   0.640
  165   2HD   ARG  21           HD1      ARG  21  20.597 -30.470  -0.350
  166    HE   ARG  21           HE       ARG  21  21.675 -31.179   2.022
  167   1HH1  ARG  21          1HH1      ARG  21  19.872 -32.732  -0.313
  168   2HH1  ARG  21          2HH1      ARG  21  19.472 -34.116   0.649
  169   1HH2  ARG  21          1HH2      ARG  21  20.720 -32.764   3.589
  170   2HH2  ARG  21          2HH2      ARG  21  19.954 -34.135   2.859
  171    H    LEU  22           HN       LEU  22  17.501 -26.296   3.625
  172    HA   LEU  22           HA       LEU  22  15.959 -28.186   5.283
  173   1HB   LEU  22           HB2      LEU  22  16.894 -25.345   5.531
  174   2HB   LEU  22           HB1      LEU  22  15.510 -25.846   6.504
  175    HG   LEU  22           HG       LEU  22  16.817 -27.672   7.482
  176   1HD1  LEU  22          1HD1      LEU  22  19.020 -26.661   5.673
  177   2HD1  LEU  22          3HD1      LEU  22  19.268 -27.812   6.979
  178   3HD1  LEU  22          2HD1      LEU  22  18.250 -28.242   5.607
  179   1HD2  LEU  22          1HD2      LEU  22  17.769 -24.841   7.642
  180   2HD2  LEU  22          3HD2      LEU  22  17.166 -25.902   8.911
  181   3HD2  LEU  22          2HD2      LEU  22  18.825 -26.059   8.355
  182    H    CYS  23           HN       CYS  23  15.273 -25.336   3.226
  183    HA   CYS  23           HA       CYS  23  12.404 -25.550   3.762
  184   1HB   CYS  23           HB2      CYS  23  14.046 -23.806   1.929
  185   2HB   CYS  23           HB1      CYS  23  12.296 -23.709   2.031
  186    H    GLN  24           HN       GLN  24  14.575 -26.939   1.434
  187    HA   GLN  24           HA       GLN  24  12.613 -27.231  -0.678
  188   1HB   GLN  24           HB2      GLN  24  15.298 -28.466  -0.072
  189   2HB   GLN  24           HB1      GLN  24  14.306 -29.100  -1.381
  190   1HG   GLN  24           HG2      GLN  24  14.917 -26.150  -1.158
  191   2HG   GLN  24           HG1      GLN  24  16.011 -27.258  -1.986
  192   1HE2  GLN  24          1HE2      GLN  24  14.733 -28.769  -3.649
  193   2HE2  GLN  24          2HE2      GLN  24  13.581 -27.970  -4.606
  194    H    HIS  25           HN       HIS  25  13.187 -28.822   2.319
  195    HA   HIS  25           HA       HIS  25  11.869 -31.330   1.518
  196   1HB   HIS  25           HB2      HIS  25  12.645 -30.330   4.276
  197   2HB   HIS  25           HB1      HIS  25  12.167 -31.976   3.862
  198    HD1  HIS  25           HD1      HIS  25  14.202 -30.418   1.257
  199    HD2  HIS  25           HD2      HIS  25  14.941 -32.607   4.726
  200    HE1  HIS  25           HE1      HIS  25  16.599 -31.220   1.100
  201    H    TYR  26           HN       TYR  26  10.973 -28.247   2.876
  202    HA   TYR  26           HA       TYR  26   8.338 -29.261   3.772
  203   1HB   TYR  26           HB2      TYR  26   9.676 -26.560   4.006
  204   2HB   TYR  26           HB1      TYR  26   8.077 -26.940   4.631
  205    HD1  TYR  26           HD1      TYR  26  11.480 -26.803   5.489
  206    HD2  TYR  26           HD2      TYR  26   7.957 -29.191   6.070
  207    HE1  TYR  26           HE1      TYR  26  12.479 -27.776   7.536
  208    HE2  TYR  26           HE2      TYR  26   8.958 -30.165   8.119
  209    HH   TYR  26           HH       TYR  26  10.834 -29.264   9.855
  210    H    ILE  27           HN       ILE  27   7.392 -26.416   3.131
  211    HA   ILE  27           HA       ILE  27   6.727 -26.898   0.243
  212    HB   ILE  27           HB       ILE  27   4.969 -25.314   2.124
  213   1HG1  ILE  27          2HG1      ILE  27   5.333 -27.518   3.213
  214   2HG1  ILE  27          1HG1      ILE  27   3.681 -27.326   2.643
  215   1HG2  ILE  27          2HG2      ILE  27   4.476 -26.931  -0.392
  216   2HG2  ILE  27          1HG2      ILE  27   3.218 -26.123   0.541
  217   3HG2  ILE  27          3HG2      ILE  27   4.475 -25.173  -0.251
  218   1HD1  ILE  27          1HD1      ILE  27   5.869 -28.835   1.184
  219   2HD1  ILE  27          3HD1      ILE  27   4.552 -29.564   2.094
  220   3HD1  ILE  27          2HD1      ILE  27   4.208 -28.650   0.629
  221    H    GLY  28           HN       GLY  28   6.139 -24.796  -0.898
  222   1HA   GLY  28           HA1      GLY  28   6.511 -22.501  -1.386
  223   2HA   GLY  28           HA2      GLY  28   8.182 -22.974  -1.084
  224    H    TRP  29           HN       TRP  29   5.426 -22.680   1.164
  225    HA   TRP  29           HA       TRP  29   6.456 -20.264   2.418
  226   1HB   TRP  29           HB2      TRP  29   4.125 -20.559   2.701
  227   2HB   TRP  29           HB1      TRP  29   4.293 -22.272   3.068
  228    HD1  TRP  29           HD1      TRP  29   5.509 -18.944   4.658
  229    HE1  TRP  29           HE1      TRP  29   5.275 -19.158   7.217
  230    HE3  TRP  29           HE3      TRP  29   3.716 -23.716   4.985
  231    HZ2  TRP  29           HZ2      TRP  29   4.432 -21.094   9.146
  232    HZ3  TRP  29           HZ3      TRP  29   3.205 -24.718   7.194
  233    HH2  TRP  29           HH2      TRP  29   3.562 -23.414   9.273
  234    H    CYS  30           HN       CYS  30   8.308 -20.301   3.696
  235    HA   CYS  30           HA       CYS  30   8.807 -22.715   5.376
  236   1HB   CYS  30           HB2      CYS  30  10.094 -22.699   3.181
  237   2HB   CYS  30           HB1      CYS  30  10.916 -21.257   3.771
  238    HA   PRO  31           HA       PRO  31   9.363 -18.955   7.976
  239   1HB   PRO  31           HB2      PRO  31   9.135 -20.162  10.429
  240   2HB   PRO  31           HB1      PRO  31   7.736 -19.718   9.435
  241   1HG   PRO  31           HG2      PRO  31   8.999 -22.384   9.832
  242   2HG   PRO  31           HG1      PRO  31   7.289 -21.961   9.638
  243   1HD   PRO  31           HD2      PRO  31   8.875 -23.003   7.617
  244   2HD   PRO  31           HD1      PRO  31   7.404 -22.046   7.330
  245    H    PHE  32           HN       PHE  32  11.564 -19.841   6.817
  246    HA   PHE  32           HA       PHE  32  13.572 -20.296   9.014
  247   1HB   PHE  32           HB2      PHE  32  13.530 -21.240   6.139
  248   2HB   PHE  32           HB1      PHE  32  15.011 -21.208   7.095
  249    HD1  PHE  32           HD1      PHE  32  11.430 -22.327   7.498
  250    HD2  PHE  32           HD2      PHE  32  15.583 -23.189   8.196
  251    HE1  PHE  32           HE1      PHE  32  10.807 -24.487   8.528
  252    HE2  PHE  32           HE2      PHE  32  14.951 -25.354   9.224
  253    HZ   PHE  32           HZ       PHE  32  12.566 -26.003   9.391
  254    H    TRP  33           HN       TRP  33  12.889 -18.652   5.944
  255    HA   TRP  33           HA       TRP  33  15.238 -17.186   5.591
  256   1HB   TRP  33           HB2      TRP  33  12.365 -16.327   5.192
  257   2HB   TRP  33           HB1      TRP  33  13.741 -15.396   4.609
  258    HD1  TRP  33           HD1      TRP  33  15.584 -17.394   3.324
  259    HE1  TRP  33           HE1      TRP  33  14.913 -18.850   1.336
  260    HE3  TRP  33           HE3      TRP  33  10.503 -17.210   3.798
  261    HZ2  TRP  33           HZ2      TRP  33  12.512 -19.813   0.069
  262    HZ3  TRP  33           HZ3      TRP  33   9.048 -18.401   2.182
  263    HH2  TRP  33           HH2      TRP  33  10.045 -19.701   0.321

  No H/Q in entry =         263
  Start of MODEL    4
    1    H1   ASN   1           HT2      ASN   1  14.396 -26.033  -0.567
    2    H2   ASN   1           HT1      ASN   1  13.811 -25.090  -1.855
    3    H3   ASN   1           HT3      ASN   1  12.773 -25.529  -0.587
    4    HA   ASN   1           HA       ASN   1  12.366 -27.556  -1.414
    5   1HB   ASN   1           HB2      ASN   1  13.575 -26.120  -3.794
    6   2HB   ASN   1           HB1      ASN   1  12.666 -27.627  -3.918
    7   1HD2  ASN   1          1HD2      ASN   1  10.349 -27.555  -3.476
    8   2HD2  ASN   1          2HD2      ASN   1   9.509 -26.083  -3.403
    9    H    GLU   2           HN       GLU   2  15.310 -27.063  -0.476
   10    HA   GLU   2           HA       GLU   2  17.037 -28.676  -2.045
   11   1HB   GLU   2           HB2      GLU   2  16.991 -28.121   0.929
   12   2HB   GLU   2           HB1      GLU   2  18.297 -28.999   0.128
   13   1HG   GLU   2           HG2      GLU   2  17.397 -26.265  -0.798
   14   2HG   GLU   2           HG1      GLU   2  18.643 -26.474   0.433
   15    H    LEU   3           HN       LEU   3  16.021 -29.867   1.155
   16    HA   LEU   3           HA       LEU   3  15.820 -32.575  -0.015
   17   1HB   LEU   3           HB2      LEU   3  15.426 -31.743   2.873
   18   2HB   LEU   3           HB1      LEU   3  15.645 -33.378   2.276
   19    HG   LEU   3           HG       LEU   3  17.794 -32.932   3.030
   20   1HD1  LEU   3          3HD1      LEU   3  17.893 -33.427   0.580
   21   2HD1  LEU   3          2HD1      LEU   3  17.980 -31.691   0.273
   22   3HD1  LEU   3          1HD1      LEU   3  19.267 -32.494   1.170
   23   1HD2  LEU   3          2HD2      LEU   3  17.271 -30.594   3.710
   24   2HD2  LEU   3          1HD2      LEU   3  18.879 -30.757   3.010
   25   3HD2  LEU   3          3HD2      LEU   3  17.569 -30.074   2.057
   26    H    ASP   4           HN       ASP   4  13.859 -30.437  -0.559
   27    HA   ASP   4           HA       ASP   4  11.518 -30.070  -0.527
   28   1HB   ASP   4           HB2      ASP   4  11.929 -32.044  -2.052
   29   2HB   ASP   4           HB1      ASP   4  11.513 -33.092  -0.694
   30    H    VAL   5           HN       VAL   5  11.882 -29.572   1.944
   31    HA   VAL   5           HA       VAL   5  10.378 -31.545   3.616
   32    HB   VAL   5           HB       VAL   5  11.398 -29.967   5.480
   33   1HG1  VAL   5          2HG1      VAL   5  11.994 -32.360   5.088
   34   2HG1  VAL   5          1HG1      VAL   5  13.191 -31.833   3.904
   35   3HG1  VAL   5          3HG1      VAL   5  13.370 -31.384   5.600
   36   1HG2  VAL   5          1HG2      VAL   5  12.207 -28.348   3.693
   37   2HG2  VAL   5          3HG2      VAL   5  13.432 -28.858   4.855
   38   3HG2  VAL   5          2HG2      VAL   5  13.396 -29.570   3.242
   39    HA   PRO   6           HA       PRO   6   7.109 -28.474   3.682
   40   1HB   PRO   6           HB2      PRO   6   5.714 -29.290   5.896
   41   2HB   PRO   6           HB1      PRO   6   5.683 -30.176   4.359
   42   1HG   PRO   6           HG2      PRO   6   7.254 -30.745   6.832
   43   2HG   PRO   6           HG1      PRO   6   6.416 -31.869   5.747
   44   1HD   PRO   6           HD2      PRO   6   9.131 -31.450   5.657
   45   2HD   PRO   6           HD1      PRO   6   8.175 -31.931   4.237
   46    H    GLU   7           HN       GLU   7   9.741 -28.093   5.296
   47    HA   GLU   7           HA       GLU   7   9.215 -26.858   7.776
   48   1HB   GLU   7           HB2      GLU   7  11.451 -27.240   6.161
   49   2HB   GLU   7           HB1      GLU   7  11.292 -25.487   6.155
   50   1HG   GLU   7           HG2      GLU   7  11.071 -25.686   8.724
   51   2HG   GLU   7           HG1      GLU   7  11.677 -27.330   8.520
   52    H    GLN   8           HN       GLN   8   8.494 -25.854   4.584
   53    HA   GLN   8           HA       GLN   8   7.977 -23.044   5.375
   54   1HB   GLN   8           HB2      GLN   8   7.439 -24.221   2.659
   55   2HB   GLN   8           HB1      GLN   8   7.851 -22.568   3.091
   56   1HG   GLN   8           HG2      GLN   8  10.098 -23.485   3.899
   57   2HG   GLN   8           HG1      GLN   8   9.664 -24.979   3.067
   58   1HE2  GLN   8          1HE2      GLN   8   9.000 -21.599   2.033
   59   2HE2  GLN   8          2HE2      GLN   8   9.871 -21.714   0.581
   60    H    VAL   9           HN       VAL   9   6.176 -25.699   3.779
   61    HA   VAL   9           HA       VAL   9   3.628 -24.584   3.777
   62    HB   VAL   9           HB       VAL   9   4.425 -27.444   4.411
   63   1HG1  VAL   9          2HG1      VAL   9   1.739 -26.202   3.773
   64   2HG1  VAL   9          1HG1      VAL   9   2.065 -27.924   3.579
   65   3HG1  VAL   9          3HG1      VAL   9   2.170 -27.182   5.175
   66   1HG2  VAL   9          1HG2      VAL   9   3.709 -25.949   1.877
   67   2HG2  VAL   9          3HG2      VAL   9   5.189 -26.843   2.228
   68   3HG2  VAL   9          2HG2      VAL   9   3.674 -27.710   1.976
   69    H    ASP  10           HN       ASP  10   5.462 -25.774   6.521
   70    HA   ASP  10           HA       ASP  10   3.357 -25.992   8.423
   71   1HB   ASP  10           HB2      ASP  10   6.170 -24.969   8.927
   72   2HB   ASP  10           HB1      ASP  10   5.078 -25.667  10.123
   73    H    LYS  11           HN       LYS  11   5.651 -23.298   8.376
   74    HA   LYS  11           HA       LYS  11   4.413 -21.381   9.826
   75   1HB   LYS  11           HB2      LYS  11   5.683 -20.955   7.108
   76   2HB   LYS  11           HB1      LYS  11   5.205 -19.628   8.158
   77   1HG   LYS  11           HG2      LYS  11   7.351 -19.823   8.963
   78   2HG   LYS  11           HG1      LYS  11   6.665 -21.112   9.938
   79   1HD   LYS  11           HD2      LYS  11   8.450 -22.250   8.985
   80   2HD   LYS  11           HD1      LYS  11   7.204 -22.591   7.787
   81   1HE   LYS  11           HE2      LYS  11   9.351 -21.832   6.758
   82   2HE   LYS  11           HE1      LYS  11   8.002 -20.761   6.379
   83   1HZ   LYS  11           HZ2      LYS  11   9.758 -20.258   8.700
   84   2HZ   LYS  11           HZ1      LYS  11  10.187 -19.722   7.146
   85   3HZ   LYS  11           HZ3      LYS  11   8.758 -19.166   7.869
   86    H    LEU  12           HN       LEU  12   3.317 -22.305   6.574
   87    HA   LEU  12           HA       LEU  12   1.310 -20.264   6.377
   88   1HB   LEU  12           HB2      LEU  12   1.911 -22.834   4.968
   89   2HB   LEU  12           HB1      LEU  12   0.298 -22.165   4.764
   90    HG   LEU  12           HG       LEU  12   2.034 -21.466   3.024
   91   1HD1  LEU  12          2HD1      LEU  12  -0.133 -20.171   3.732
   92   2HD1  LEU  12          1HD1      LEU  12   0.993 -19.028   4.460
   93   3HD1  LEU  12          3HD1      LEU  12   1.065 -19.359   2.732
   94   1HD2  LEU  12          3HD2      LEU  12   3.782 -21.121   4.945
   95   2HD2  LEU  12          2HD2      LEU  12   3.781 -20.009   3.579
   96   3HD2  LEU  12          1HD2      LEU  12   3.041 -19.523   5.105
   97    H    ILE  13           HN       ILE  13   1.236 -23.626   7.526
   98    HA   ILE  13           HA       ILE  13  -1.543 -23.770   8.078
   99    HB   ILE  13           HB       ILE  13   0.800 -25.037   9.535
  100   1HG1  ILE  13          2HG1      ILE  13  -1.138 -26.199   7.508
  101   2HG1  ILE  13          1HG1      ILE  13   0.457 -25.576   7.088
  102   1HG2  ILE  13          1HG2      ILE  13  -2.187 -25.494   9.732
  103   2HG2  ILE  13          3HG2      ILE  13  -1.003 -26.682  10.277
  104   3HG2  ILE  13          2HG2      ILE  13  -1.071 -25.094  11.037
  105   1HD1  ILE  13          1HD1      ILE  13   1.384 -27.192   8.853
  106   2HD1  ILE  13          3HD1      ILE  13  -0.213 -27.941   8.846
  107   3HD1  ILE  13          2HD1      ILE  13   0.758 -27.920   7.374
  108    H    GLN  14           HN       GLN  14   1.138 -22.851  10.267
  109    HA   GLN  14           HA       GLN  14  -0.484 -22.058  12.454
  110   1HB   GLN  14           HB2      GLN  14   2.257 -21.201  11.510
  111   2HB   GLN  14           HB1      GLN  14   1.532 -20.542  12.973
  112   1HG   GLN  14           HG2      GLN  14   1.781 -23.514  12.487
  113   2HG   GLN  14           HG1      GLN  14   3.031 -22.579  13.308
  114   1HE2  GLN  14          1HE2      GLN  14   1.973 -24.459  14.927
  115   2HE2  GLN  14          2HE2      GLN  14   0.842 -23.808  16.013
  116    H    GLN  15           HN       GLN  15   0.875 -20.088   9.791
  117    HA   GLN  15           HA       GLN  15  -0.356 -17.631  10.556
  118   1HB   GLN  15           HB2      GLN  15   0.574 -18.721   7.897
  119   2HB   GLN  15           HB1      GLN  15  -0.086 -17.100   8.053
  120   1HG   GLN  15           HG2      GLN  15   2.187 -18.091   9.779
  121   2HG   GLN  15           HG1      GLN  15   2.457 -17.302   8.225
  122   1HE2  GLN  15          1HE2      GLN  15   0.992 -15.137   8.059
  123   2HE2  GLN  15          2HE2      GLN  15   1.079 -14.133   9.425
  124    H    ALA  16           HN       ALA  16  -1.380 -19.870   7.935
  125    HA   ALA  16           HA       ALA  16  -3.901 -18.672   7.485
  126   1HB   ALA  16           HB1      ALA  16  -3.331 -21.645   7.325
  127   2HB   ALA  16           HB3      ALA  16  -4.549 -20.742   6.425
  128   3HB   ALA  16           HB2      ALA  16  -2.837 -20.491   6.085
  129    H    THR  17           HN       THR  17  -2.900 -21.087   9.880
  130    HA   THR  17           HA       THR  17  -5.499 -21.694  10.896
  131    HB   THR  17           HB       THR  17  -2.780 -21.676  12.235
  132    HG1  THR  17           HG1      THR  17  -3.239 -23.198  10.539
  133   1HG2  THR  17          2HG2      THR  17  -5.486 -22.533  13.269
  134   2HG2  THR  17          1HG2      THR  17  -3.982 -23.178  13.928
  135   3HG2  THR  17          3HG2      THR  17  -4.321 -21.450  14.034
  136    H    SER  18           HN       SER  18  -3.056 -19.420  12.205
  137    HA   SER  18           HA       SER  18  -4.577 -18.216  14.186
  138   1HB   SER  18           HB2      SER  18  -3.268 -16.102  13.668
  139   2HB   SER  18           HB1      SER  18  -2.289 -17.544  13.913
  140    HG   SER  18           HG       SER  18  -1.762 -17.539  11.857
  141    H    ILE  19           HN       ILE  19  -4.161 -16.414  11.134
  142    HA   ILE  19           HA       ILE  19  -6.207 -14.666  11.204
  143    HB   ILE  19           HB       ILE  19  -5.071 -16.314   8.956
  144   1HG1  ILE  19          2HG1      ILE  19  -4.431 -14.008   8.166
  145   2HG1  ILE  19          1HG1      ILE  19  -5.157 -13.365   9.635
  146   1HG2  ILE  19          2HG2      ILE  19  -7.438 -14.447   8.714
  147   2HG2  ILE  19          1HG2      ILE  19  -6.395 -14.846   7.351
  148   3HG2  ILE  19          3HG2      ILE  19  -7.321 -16.114   8.154
  149   1HD1  ILE  19          1HD1      ILE  19  -2.952 -15.437   9.616
  150   2HD1  ILE  19          3HD1      ILE  19  -2.682 -13.702   9.798
  151   3HD1  ILE  19          2HD1      ILE  19  -3.602 -14.584  11.022
  152    H    GLU  20           HN       GLU  20  -6.748 -18.006   9.988
  153    HA   GLU  20           HA       GLU  20  -9.467 -17.868   9.475
  154   1HB   GLU  20           HB2      GLU  20  -7.830 -20.088  10.704
  155   2HB   GLU  20           HB1      GLU  20  -9.544 -20.297  10.349
  156   1HG   GLU  20           HG2      GLU  20  -7.610 -19.288   8.256
  157   2HG   GLU  20           HG1      GLU  20  -7.873 -21.012   8.518
  158    H    ARG  21           HN       ARG  21  -8.143 -18.784  12.696
  159    HA   ARG  21           HA       ARG  21 -10.771 -18.389  13.901
  160   1HB   ARG  21           HB2      ARG  21  -8.108 -18.944  15.229
  161   2HB   ARG  21           HB1      ARG  21  -9.698 -19.107  15.971
  162   1HG   ARG  21           HG2      ARG  21  -8.782 -20.662  13.531
  163   2HG   ARG  21           HG1      ARG  21  -8.750 -21.290  15.177
  164   1HD   ARG  21           HD2      ARG  21 -11.291 -20.629  15.207
  165   2HD   ARG  21           HD1      ARG  21 -11.127 -20.640  13.451
  166    HE   ARG  21           HE       ARG  21 -10.717 -23.010  13.525
  167   1HH1  ARG  21          1HH1      ARG  21  -9.553 -22.282  16.478
  168   2HH1  ARG  21          2HH1      ARG  21 -10.465 -23.450  17.375
  169   1HH2  ARG  21          1HH2      ARG  21 -12.583 -24.213  14.736
  170   2HH2  ARG  21          2HH2      ARG  21 -12.182 -24.544  16.388
  171    H    LEU  22           HN       LEU  22  -7.964 -16.402  13.384
  172    HA   LEU  22           HA       LEU  22  -8.646 -14.577  15.605
  173   1HB   LEU  22           HB2      LEU  22  -6.429 -14.807  13.599
  174   2HB   LEU  22           HB1      LEU  22  -6.762 -13.202  14.254
  175    HG   LEU  22           HG       LEU  22  -6.511 -14.063  16.540
  176   1HD1  LEU  22          3HD1      LEU  22  -6.028 -16.684  15.132
  177   2HD1  LEU  22          2HD1      LEU  22  -5.603 -16.404  16.815
  178   3HD1  LEU  22          1HD1      LEU  22  -7.289 -16.320  16.304
  179   1HD2  LEU  22          3HD2      LEU  22  -4.379 -13.929  14.588
  180   2HD2  LEU  22          2HD2      LEU  22  -4.334 -13.535  16.302
  181   3HD2  LEU  22          1HD2      LEU  22  -3.987 -15.175  15.771
  182    H    CYS  23           HN       CYS  23  -8.657 -14.463  12.027
  183    HA   CYS  23           HA       CYS  23  -9.867 -11.826  11.993
  184   1HB   CYS  23           HB2      CYS  23  -9.366 -13.922   9.887
  185   2HB   CYS  23           HB1      CYS  23 -10.206 -12.420   9.524
  186    H    GLN  24           HN       GLN  24 -11.178 -15.017  12.386
  187    HA   GLN  24           HA       GLN  24 -13.770 -14.379  11.217
  188   1HB   GLN  24           HB2      GLN  24 -12.671 -16.643  12.885
  189   2HB   GLN  24           HB1      GLN  24 -14.397 -16.521  12.554
  190   1HG   GLN  24           HG2      GLN  24 -12.340 -16.401  10.343
  191   2HG   GLN  24           HG1      GLN  24 -13.011 -17.931  10.910
  192   1HE2  GLN  24          1HE2      GLN  24 -15.373 -15.567  11.325
  193   2HE2  GLN  24          2HE2      GLN  24 -16.227 -15.795   9.876
  194    H    HIS  25           HN       HIS  25 -12.209 -13.861  14.263
  195    HA   HIS  25           HA       HIS  25 -14.689 -13.576  15.789
  196   1HB   HIS  25           HB2      HIS  25 -11.854 -12.689  16.416
  197   2HB   HIS  25           HB1      HIS  25 -13.200 -12.677  17.556
  198    HD1  HIS  25           HD1      HIS  25 -13.810 -15.550  15.614
  199    HD2  HIS  25           HD2      HIS  25 -11.060 -14.695  18.628
  200    HE1  HIS  25           HE1      HIS  25 -13.029 -17.781  16.524
  201    H    TYR  26           HN       TYR  26 -12.556 -11.527  13.910
  202    HA   TYR  26           HA       TYR  26 -13.981  -9.067  14.745
  203   1HB   TYR  26           HB2      TYR  26 -11.640  -9.449  12.866
  204   2HB   TYR  26           HB1      TYR  26 -12.235  -7.923  13.504
  205    HD1  TYR  26           HD1      TYR  26 -12.442  -7.821  16.156
  206    HD2  TYR  26           HD2      TYR  26  -9.860 -10.483  13.990
  207    HE1  TYR  26           HE1      TYR  26 -11.028  -8.092  18.175
  208    HE2  TYR  26           HE2      TYR  26  -8.448 -10.758  16.010
  209    HH   TYR  26           HH       TYR  26  -8.503  -8.732  18.576
  210    H    ILE  27           HN       ILE  27 -13.145  -8.121  11.971
  211    HA   ILE  27           HA       ILE  27 -15.574  -9.106  10.499
  212    HB   ILE  27           HB       ILE  27 -14.138  -6.431  10.453
  213   1HG1  ILE  27          2HG1      ILE  27 -16.457  -5.607  10.931
  214   2HG1  ILE  27          1HG1      ILE  27 -16.996  -7.280  11.029
  215   1HG2  ILE  27          1HG2      ILE  27 -16.135  -7.609   8.511
  216   2HG2  ILE  27          3HG2      ILE  27 -15.923  -5.868   8.694
  217   3HG2  ILE  27          2HG2      ILE  27 -14.577  -6.868   8.152
  218   1HD1  ILE  27          3HD1      ILE  27 -14.650  -6.558  12.728
  219   2HD1  ILE  27          2HD1      ILE  27 -16.204  -5.869  13.191
  220   3HD1  ILE  27          1HD1      ILE  27 -16.020  -7.615  13.075
  221    H    GLY  28           HN       GLY  28 -15.250  -9.210   8.093
  222   1HA   GLY  28           HA1      GLY  28 -13.957  -9.641   6.145
  223   2HA   GLY  28           HA2      GLY  28 -13.275 -10.878   7.200
  224    H    TRP  29           HN       TRP  29 -12.936  -7.385   7.611
  225    HA   TRP  29           HA       TRP  29 -10.149  -7.422   6.633
  226   1HB   TRP  29           HB2      TRP  29 -11.464  -5.430   6.152
  227   2HB   TRP  29           HB1      TRP  29 -11.869  -5.238   7.856
  228    HD1  TRP  29           HD1      TRP  29  -9.146  -4.574   5.331
  229    HE1  TRP  29           HE1      TRP  29  -7.247  -3.238   6.451
  230    HE3  TRP  29           HE3      TRP  29 -10.614  -4.869  10.214
  231    HZ2  TRP  29           HZ2      TRP  29  -6.452  -2.409   9.070
  232    HZ3  TRP  29           HZ3      TRP  29  -9.269  -3.798  11.998
  233    HH2  TRP  29           HH2      TRP  29  -7.193  -2.569  11.433
  234    H    CYS  30           HN       CYS  30  -8.357  -7.527   8.016
  235    HA   CYS  30           HA       CYS  30  -8.678  -6.976  10.870
  236   1HB   CYS  30           HB2      CYS  30  -7.689  -9.365  11.363
  237   2HB   CYS  30           HB1      CYS  30  -9.423  -9.186  11.105
  238    HA   PRO  31           HA       PRO  31  -4.408  -5.927  10.169
  239   1HB   PRO  31           HB2      PRO  31  -3.423  -5.962  12.730
  240   2HB   PRO  31           HB1      PRO  31  -4.510  -4.693  12.132
  241   1HG   PRO  31           HG2      PRO  31  -5.147  -7.096  13.787
  242   2HG   PRO  31           HG1      PRO  31  -5.740  -5.432  13.945
  243   1HD   PRO  31           HD2      PRO  31  -7.216  -7.412  12.769
  244   2HD   PRO  31           HD1      PRO  31  -7.346  -5.705  12.288
  245    H    PHE  32           HN       PHE  32  -5.292  -8.946  10.440
  246    HA   PHE  32           HA       PHE  32  -2.592 -10.078  11.104
  247   1HB   PHE  32           HB2      PHE  32  -5.353 -11.319  11.045
  248   2HB   PHE  32           HB1      PHE  32  -3.869 -12.259  11.197
  249    HD1  PHE  32           HD1      PHE  32  -2.743 -12.456  13.265
  250    HD2  PHE  32           HD2      PHE  32  -5.832  -9.513  12.785
  251    HE1  PHE  32           HE1      PHE  32  -2.690 -12.007  15.701
  252    HE2  PHE  32           HE2      PHE  32  -5.777  -9.059  15.223
  253    HZ   PHE  32           HZ       PHE  32  -4.205 -10.304  16.681
  254    H    TRP  33           HN       TRP  33  -4.957  -9.656   8.576
  255    HA   TRP  33           HA       TRP  33  -3.987 -11.669   6.759
  256   1HB   TRP  33           HB2      TRP  33  -5.658  -9.198   6.588
  257   2HB   TRP  33           HB1      TRP  33  -4.994  -9.802   5.073
  258    HD1  TRP  33           HD1      TRP  33  -5.952 -12.262   7.797
  259    HE1  TRP  33           HE1      TRP  33  -7.971 -13.640   7.025
  260    HE3  TRP  33           HE3      TRP  33  -7.194  -9.682   3.576
  261    HZ2  TRP  33           HZ2      TRP  33  -9.904 -13.631   4.907
  262    HZ3  TRP  33           HZ3      TRP  33  -9.135 -10.382   2.204
  263    HH2  TRP  33           HH2      TRP  33 -10.490 -12.351   2.863

  No H/Q in entry =         263
  Start of MODEL    5
    1    H1   ASN   1           HT3      ASN   1  26.179   5.812 -11.168
    2    H2   ASN   1           HT2      ASN   1  25.260   5.291 -12.499
    3    H3   ASN   1           HT1      ASN   1  24.949   4.665 -10.950
    4    HA   ASN   1           HA       ASN   1  26.580   3.160 -11.067
    5   1HB   ASN   1           HB2      ASN   1  25.341   2.968 -13.248
    6   2HB   ASN   1           HB1      ASN   1  26.589   3.971 -13.989
    7   1HD2  ASN   1          1HD2      ASN   1  27.425   2.257 -15.349
    8   2HD2  ASN   1          2HD2      ASN   1  28.251   0.921 -14.705
    9    H    GLU   2           HN       GLU   2  27.451   6.269 -12.414
   10    HA   GLU   2           HA       GLU   2  30.303   5.635 -12.590
   11   1HB   GLU   2           HB2      GLU   2  28.859   8.303 -12.682
   12   2HB   GLU   2           HB1      GLU   2  30.557   8.042 -13.083
   13   1HG   GLU   2           HG2      GLU   2  29.404   8.025 -15.168
   14   2HG   GLU   2           HG1      GLU   2  29.751   6.335 -14.799
   15    H    LEU   3           HN       LEU   3  31.055   8.289 -11.382
   16    HA   LEU   3           HA       LEU   3  31.217   7.326  -8.587
   17   1HB   LEU   3           HB2      LEU   3  32.517   9.839  -9.650
   18   2HB   LEU   3           HB1      LEU   3  33.008   8.838  -8.294
   19    HG   LEU   3           HG       LEU   3  34.562   8.305  -9.988
   20   1HD1  LEU   3          2HD1      LEU   3  33.297   6.341  -8.885
   21   2HD1  LEU   3          1HD1      LEU   3  32.515   6.144 -10.456
   22   3HD1  LEU   3          3HD1      LEU   3  34.266   5.997 -10.316
   23   1HD2  LEU   3          3HD2      LEU   3  32.799   9.280 -11.822
   24   2HD2  LEU   3          2HD2      LEU   3  34.195   8.303 -12.249
   25   3HD2  LEU   3          1HD2      LEU   3  32.612   7.551 -12.118
   26    H    ASP   4           HN       ASP   4  30.946   9.067  -6.852
   27    HA   ASP   4           HA       ASP   4  29.359  11.399  -7.387
   28   1HB   ASP   4           HB2      ASP   4  27.249  10.537  -6.266
   29   2HB   ASP   4           HB1      ASP   4  27.550   9.890  -7.879
   30    H    VAL   5           HN       VAL   5  31.649  10.742  -5.831
   31    HA   VAL   5           HA       VAL   5  30.660  11.124  -3.030
   32    HB   VAL   5           HB       VAL   5  33.129  10.401  -2.548
   33   1HG1  VAL   5          1HG1      VAL   5  31.130   9.031  -2.028
   34   2HG1  VAL   5          3HG1      VAL   5  31.148   8.404  -3.677
   35   3HG1  VAL   5          2HG1      VAL   5  32.478   8.036  -2.578
   36   1HG2  VAL   5          2HG2      VAL   5  33.682  10.607  -5.040
   37   2HG2  VAL   5          1HG2      VAL   5  34.215   9.126  -4.244
   38   3HG2  VAL   5          3HG2      VAL   5  32.771   9.112  -5.257
   39    HA   PRO   6           HA       PRO   6  32.531  15.167  -3.261
   40   1HB   PRO   6           HB2      PRO   6  33.138  15.632  -0.626
   41   2HB   PRO   6           HB1      PRO   6  31.477  15.657  -1.251
   42   1HG   PRO   6           HG2      PRO   6  32.905  13.486   0.220
   43   2HG   PRO   6           HG1      PRO   6  31.232  14.048   0.388
   44   1HD   PRO   6           HD2      PRO   6  31.906  11.789  -1.017
   45   2HD   PRO   6           HD1      PRO   6  30.486  12.784  -1.410
   46    H    GLU   7           HN       GLU   7  34.294  12.653  -3.456
   47    HA   GLU   7           HA       GLU   7  36.741  13.079  -2.083
   48   1HB   GLU   7           HB2      GLU   7  35.754  11.415  -4.269
   49   2HB   GLU   7           HB1      GLU   7  37.379  11.979  -4.639
   50   1HG   GLU   7           HG2      GLU   7  37.386   9.819  -3.410
   51   2HG   GLU   7           HG1      GLU   7  38.202  11.097  -2.509
   52    H    GLN   8           HN       GLN   8  35.896  13.964  -5.432
   53    HA   GLN   8           HA       GLN   8  38.187  15.503  -5.990
   54   1HB   GLN   8           HB2      GLN   8  35.482  16.386  -6.975
   55   2HB   GLN   8           HB1      GLN   8  37.025  16.360  -7.825
   56   1HG   GLN   8           HG2      GLN   8  36.927  13.798  -7.581
   57   2HG   GLN   8           HG1      GLN   8  35.231  14.027  -7.150
   58   1HE2  GLN   8          1HE2      GLN   8  35.807  16.547  -9.181
   59   2HE2  GLN   8          2HE2      GLN   8  35.400  15.835 -10.667
   60    H    VAL   9           HN       VAL   9  35.034  16.753  -4.836
   61    HA   VAL   9           HA       VAL   9  35.762  19.410  -4.406
   62    HB   VAL   9           HB       VAL   9  33.947  17.616  -2.765
   63   1HG1  VAL   9          3HG1      VAL   9  34.487  20.584  -2.586
   64   2HG1  VAL   9          2HG1      VAL   9  32.962  19.883  -2.042
   65   3HG1  VAL   9          1HG1      VAL   9  34.477  19.395  -1.284
   66   1HG2  VAL   9          3HG2      VAL   9  33.318  18.014  -5.135
   67   2HG2  VAL   9          2HG2      VAL   9  32.176  18.770  -4.024
   68   3HG2  VAL   9          1HG2      VAL   9  33.386  19.753  -4.849
   69    H    ASP  10           HN       ASP  10  36.731  16.579  -2.576
   70    HA   ASP  10           HA       ASP  10  37.614  17.956  -0.214
   71   1HB   ASP  10           HB2      ASP  10  37.359  15.395  -0.631
   72   2HB   ASP  10           HB1      ASP  10  38.984  15.493  -1.310
   73    H    LYS  11           HN       LYS  11  39.646  16.563  -2.782
   74    HA   LYS  11           HA       LYS  11  42.087  17.655  -2.331
   75   1HB   LYS  11           HB2      LYS  11  40.629  17.492  -4.980
   76   2HB   LYS  11           HB1      LYS  11  42.298  18.033  -4.883
   77   1HG   LYS  11           HG2      LYS  11  42.779  15.799  -5.131
   78   2HG   LYS  11           HG1      LYS  11  42.480  15.732  -3.404
   79   1HD   LYS  11           HD2      LYS  11  41.045  14.046  -4.077
   80   2HD   LYS  11           HD1      LYS  11  39.939  15.409  -4.219
   81   1HE   LYS  11           HE2      LYS  11  39.901  13.963  -6.238
   82   2HE   LYS  11           HE1      LYS  11  40.444  15.601  -6.611
   83   1HZ   LYS  11           HZ1      LYS  11  42.506  13.686  -5.873
   84   2HZ   LYS  11           HZ3      LYS  11  41.753  13.426  -7.371
   85   3HZ   LYS  11           HZ2      LYS  11  42.526  14.905  -7.056
   86    H    LEU  12           HN       LEU  12  39.295  19.568  -3.370
   87    HA   LEU  12           HA       LEU  12  40.789  21.960  -3.901
   88   1HB   LEU  12           HB2      LEU  12  37.911  21.301  -3.425
   89   2HB   LEU  12           HB1      LEU  12  38.386  22.978  -3.213
   90    HG   LEU  12           HG       LEU  12  37.546  22.231  -5.545
   91   1HD1  LEU  12          1HD1      LEU  12  40.045  23.824  -5.007
   92   2HD1  LEU  12          3HD1      LEU  12  39.433  23.639  -6.650
   93   3HD1  LEU  12          2HD1      LEU  12  38.430  24.392  -5.414
   94   1HD2  LEU  12          3HD2      LEU  12  39.236  20.208  -5.437
   95   2HD2  LEU  12          2HD2      LEU  12  38.943  21.028  -6.965
   96   3HD2  LEU  12          1HD2      LEU  12  40.399  21.393  -6.042
   97    H    ILE  13           HN       ILE  13  39.073  20.780  -1.013
   98    HA   ILE  13           HA       ILE  13  39.609  22.966   0.694
   99    HB   ILE  13           HB       ILE  13  39.509  19.999   1.332
  100   1HG1  ILE  13          2HG1      ILE  13  37.451  22.179   1.789
  101   2HG1  ILE  13          1HG1      ILE  13  37.457  21.138   0.365
  102   1HG2  ILE  13          1HG2      ILE  13  39.621  22.440   3.119
  103   2HG2  ILE  13          3HG2      ILE  13  39.010  20.883   3.679
  104   3HG2  ILE  13          2HG2      ILE  13  40.683  21.032   3.143
  105   1HD1  ILE  13          3HD1      ILE  13  37.327  20.146   3.228
  106   2HD1  ILE  13          2HD1      ILE  13  35.941  20.286   2.146
  107   3HD1  ILE  13          1HD1      ILE  13  37.239  19.151   1.775
  108    H    GLN  14           HN       GLN  14  41.579  20.041   0.124
  109    HA   GLN  14           HA       GLN  14  43.790  20.790   1.732
  110   1HB   GLN  14           HB2      GLN  14  43.524  19.064  -0.733
  111   2HB   GLN  14           HB1      GLN  14  45.077  19.302   0.061
  112   1HG   GLN  14           HG2      GLN  14  44.203  18.421   2.153
  113   2HG   GLN  14           HG1      GLN  14  42.585  18.299   1.461
  114   1HE2  GLN  14          1HE2      GLN  14  44.966  17.543  -0.867
  115   2HE2  GLN  14          2HE2      GLN  14  44.884  15.851  -0.748
  116    H    GLN  15           HN       GLN  15  43.209  21.338  -1.759
  117    HA   GLN  15           HA       GLN  15  45.609  22.818  -2.234
  118   1HB   GLN  15           HB2      GLN  15  42.910  22.790  -3.590
  119   2HB   GLN  15           HB1      GLN  15  44.224  23.807  -4.167
  120   1HG   GLN  15           HG2      GLN  15  44.512  20.824  -3.741
  121   2HG   GLN  15           HG1      GLN  15  44.057  21.536  -5.290
  122   1HE2  GLN  15          1HE2      GLN  15  46.724  21.043  -3.053
  123   2HE2  GLN  15          2HE2      GLN  15  47.925  21.722  -4.041
  124    H    ALA  16           HN       ALA  16  42.271  24.077  -1.794
  125    HA   ALA  16           HA       ALA  16  42.991  26.795  -1.539
  126   1HB   ALA  16           HB1      ALA  16  40.787  25.504   0.081
  127   2HB   ALA  16           HB3      ALA  16  40.848  27.146  -0.561
  128   3HB   ALA  16           HB2      ALA  16  40.635  25.778  -1.654
  129    H    THR  17           HN       THR  17  42.929  24.200   0.880
  130    HA   THR  17           HA       THR  17  43.493  25.821   3.165
  131    HB   THR  17           HB       THR  17  44.190  22.934   2.555
  132    HG1  THR  17           HG1      THR  17  42.081  24.284   3.835
  133   1HG2  THR  17          1HG2      THR  17  44.475  24.566   5.082
  134   2HG2  THR  17          3HG2      THR  17  44.384  22.804   5.099
  135   3HG2  THR  17          2HG2      THR  17  45.712  23.611   4.263
  136    H    SER  18           HN       SER  18  45.745  23.849   1.186
  137    HA   SER  18           HA       SER  18  48.161  24.604   2.297
  138   1HB   SER  18           HB2      SER  18  48.934  24.611  -0.282
  139   2HB   SER  18           HB1      SER  18  48.491  23.123   0.547
  140    HG   SER  18           HG       SER  18  46.652  24.750  -0.868
  141    H    ILE  19           HN       ILE  19  47.212  26.280  -0.732
  142    HA   ILE  19           HA       ILE  19  48.717  28.468  -0.734
  143    HB   ILE  19           HB       ILE  19  45.793  28.082  -1.317
  144   1HG1  ILE  19          2HG1      ILE  19  46.594  28.610  -3.629
  145   2HG1  ILE  19          1HG1      ILE  19  48.227  28.781  -2.988
  146   1HG2  ILE  19          3HG2      ILE  19  47.231  30.740  -1.439
  147   2HG2  ILE  19          2HG2      ILE  19  45.793  30.385  -2.388
  148   3HG2  ILE  19          1HG2      ILE  19  45.709  30.373  -0.631
  149   1HD1  ILE  19          3HD1      ILE  19  46.557  26.272  -2.665
  150   2HD1  ILE  19          2HD1      ILE  19  47.724  26.509  -3.965
  151   3HD1  ILE  19          1HD1      ILE  19  48.273  26.471  -2.287
  152    H    GLU  20           HN       GLU  20  45.708  28.453   1.257
  153    HA   GLU  20           HA       GLU  20  45.919  30.990   2.362
  154   1HB   GLU  20           HB2      GLU  20  45.082  28.408   3.702
  155   2HB   GLU  20           HB1      GLU  20  44.892  29.989   4.456
  156   1HG   GLU  20           HG2      GLU  20  43.801  29.365   1.706
  157   2HG   GLU  20           HG1      GLU  20  42.860  29.118   3.178
  158    H    ARG  21           HN       ARG  21  47.343  28.082   3.932
  159    HA   ARG  21           HA       ARG  21  48.979  29.776   5.643
  160   1HB   ARG  21           HB2      ARG  21  48.972  26.774   5.252
  161   2HB   ARG  21           HB1      ARG  21  49.825  27.628   6.535
  162   1HG   ARG  21           HG2      ARG  21  46.869  28.106   6.198
  163   2HG   ARG  21           HG1      ARG  21  47.404  26.614   6.966
  164   1HD   ARG  21           HD2      ARG  21  48.366  29.345   7.851
  165   2HD   ARG  21           HD1      ARG  21  46.958  28.546   8.553
  166    HE   ARG  21           HE       ARG  21  49.538  27.064   8.540
  167   1HH1  ARG  21          1HH1      ARG  21  48.097  25.640  10.290
  168   2HH1  ARG  21          2HH1      ARG  21  48.116  26.457  11.817
  169   1HH2  ARG  21          1HH2      ARG  21  49.123  29.494  10.478
  170   2HH2  ARG  21          2HH2      ARG  21  48.697  28.640  11.923
  171    H    LEU  22           HN       LEU  22  49.402  28.331   2.521
  172    HA   LEU  22           HA       LEU  22  52.353  28.308   2.742
  173   1HB   LEU  22           HB2      LEU  22  50.331  27.369   0.741
  174   2HB   LEU  22           HB1      LEU  22  51.929  27.797   0.124
  175    HG   LEU  22           HG       LEU  22  52.975  26.250   1.725
  176   1HD1  LEU  22          1HD1      LEU  22  50.120  25.820   2.590
  177   2HD1  LEU  22          3HD1      LEU  22  51.395  24.662   2.953
  178   3HD1  LEU  22          2HD1      LEU  22  51.492  26.306   3.582
  179   1HD2  LEU  22          3HD2      LEU  22  51.481  25.511  -0.551
  180   2HD2  LEU  22          2HD2      LEU  22  52.726  24.556   0.244
  181   3HD2  LEU  22          1HD2      LEU  22  51.035  24.320   0.671
  182    H    CYS  23           HN       CYS  23  49.829  30.095   1.002
  183    HA   CYS  23           HA       CYS  23  51.784  31.864  -0.255
  184   1HB   CYS  23           HB2      CYS  23  48.769  31.907  -0.152
  185   2HB   CYS  23           HB1      CYS  23  49.730  33.062  -1.055
  186    H    GLN  24           HN       GLN  24  50.120  31.908   2.800
  187    HA   GLN  24           HA       GLN  24  50.149  34.814   3.037
  188   1HB   GLN  24           HB2      GLN  24  49.624  32.509   4.914
  189   2HB   GLN  24           HB1      GLN  24  49.805  34.144   5.542
  190   1HG   GLN  24           HG2      GLN  24  47.972  34.942   4.170
  191   2HG   GLN  24           HG1      GLN  24  47.853  33.384   3.353
  192   1HE2  GLN  24          1HE2      GLN  24  48.141  31.681   5.667
  193   2HE2  GLN  24          2HE2      GLN  24  46.768  31.889   6.642
  194    H    HIS  25           HN       HIS  25  52.426  32.259   3.423
  195    HA   HIS  25           HA       HIS  25  54.166  33.743   5.268
  196   1HB   HIS  25           HB2      HIS  25  54.484  31.156   3.732
  197   2HB   HIS  25           HB1      HIS  25  55.764  31.836   4.736
  198    HD1  HIS  25           HD1      HIS  25  54.010  32.885   7.077
  199    HD2  HIS  25           HD2      HIS  25  53.642  29.083   5.407
  200    HE1  HIS  25           HE1      HIS  25  52.918  31.431   8.840
  201    H    TYR  26           HN       TYR  26  53.891  33.200   1.794
  202    HA   TYR  26           HA       TYR  26  56.475  34.552   1.293
  203   1HB   TYR  26           HB2      TYR  26  54.418  33.380  -0.603
  204   2HB   TYR  26           HB1      TYR  26  55.998  33.998  -1.059
  205    HD1  TYR  26           HD1      TYR  26  58.008  33.002   0.467
  206    HD2  TYR  26           HD2      TYR  26  54.253  31.064  -0.324
  207    HE1  TYR  26           HE1      TYR  26  59.031  30.804   0.982
  208    HE2  TYR  26           HE2      TYR  26  55.280  28.868   0.194
  209    HH   TYR  26           HH       TYR  26  58.700  28.626   1.183
  210    H    ILE  27           HN       ILE  27  55.865  35.873  -1.068
  211    HA   ILE  27           HA       ILE  27  54.339  38.201  -0.038
  212    HB   ILE  27           HB       ILE  27  55.750  38.056  -2.708
  213   1HG1  ILE  27          2HG1      ILE  27  57.401  37.218  -1.160
  214   2HG1  ILE  27          1HG1      ILE  27  57.788  38.907  -1.482
  215   1HG2  ILE  27          3HG2      ILE  27  55.221  40.268  -0.700
  216   2HG2  ILE  27          2HG2      ILE  27  56.134  40.467  -2.195
  217   3HG2  ILE  27          1HG2      ILE  27  54.422  40.052  -2.257
  218   1HD1  ILE  27          2HD1      ILE  27  56.386  39.438   0.620
  219   2HD1  ILE  27          1HD1      ILE  27  56.511  37.717   0.980
  220   3HD1  ILE  27          3HD1      ILE  27  57.968  38.703   0.871
  221    H    GLY  28           HN       GLY  28  52.862  39.298  -1.703
  222   1HA   GLY  28           HA1      GLY  28  51.126  39.218  -3.313
  223   2HA   GLY  28           HA2      GLY  28  50.640  37.817  -2.360
  224    H    TRP  29           HN       TRP  29  53.458  38.295  -4.511
  225    HA   TRP  29           HA       TRP  29  52.427  36.691  -6.653
  226   1HB   TRP  29           HB2      TRP  29  54.202  38.133  -7.237
  227   2HB   TRP  29           HB1      TRP  29  55.171  37.657  -5.848
  228    HD1  TRP  29           HD1      TRP  29  53.796  36.028  -9.094
  229    HE1  TRP  29           HE1      TRP  29  55.558  34.328  -9.925
  230    HE3  TRP  29           HE3      TRP  29  57.259  36.436  -5.360
  231    HZ2  TRP  29           HZ2      TRP  29  58.093  33.291  -9.118
  232    HZ3  TRP  29           HZ3      TRP  29  59.335  35.083  -5.417
  233    HH2  TRP  29           HH2      TRP  29  59.755  33.512  -7.289
  234    H    CYS  30           HN       CYS  30  51.610  35.043  -4.893
  235    HA   CYS  30           HA       CYS  30  53.639  33.119  -3.990
  236   1HB   CYS  30           HB2      CYS  30  51.774  33.597  -2.515
  237   2HB   CYS  30           HB1      CYS  30  50.618  33.176  -3.777
  238    HA   PRO  31           HA       PRO  31  52.805  30.936  -7.928
  239   1HB   PRO  31           HB2      PRO  31  54.983  29.278  -7.918
  240   2HB   PRO  31           HB1      PRO  31  55.077  30.986  -8.385
  241   1HG   PRO  31           HG2      PRO  31  55.904  29.677  -5.850
  242   2HG   PRO  31           HG1      PRO  31  56.615  31.065  -6.690
  243   1HD   PRO  31           HD2      PRO  31  54.918  31.220  -4.455
  244   2HD   PRO  31           HD1      PRO  31  55.280  32.558  -5.562
  245    H    PHE  32           HN       PHE  32  50.990  30.054  -6.377
  246    HA   PHE  32           HA       PHE  32  51.389  27.102  -6.116
  247   1HB   PHE  32           HB2      PHE  32  50.536  29.052  -3.980
  248   2HB   PHE  32           HB1      PHE  32  49.878  27.418  -3.961
  249    HD1  PHE  32           HD1      PHE  32  51.139  25.624  -3.089
  250    HD2  PHE  32           HD2      PHE  32  53.105  29.317  -4.067
  251    HE1  PHE  32           HE1      PHE  32  53.222  24.796  -2.031
  252    HE2  PHE  32           HE2      PHE  32  55.190  28.484  -3.016
  253    HZ   PHE  32           HZ       PHE  32  55.249  26.224  -1.999
  254    H    TRP  33           HN       TRP  33  49.215  29.863  -6.476
  255    HA   TRP  33           HA       TRP  33  46.737  28.532  -6.591
  256   1HB   TRP  33           HB2      TRP  33  47.788  30.922  -8.112
  257   2HB   TRP  33           HB1      TRP  33  46.121  30.374  -8.266
  258    HD1  TRP  33           HD1      TRP  33  45.148  29.807  -5.495
  259    HE1  TRP  33           HE1      TRP  33  45.099  31.561  -3.622
  260    HE3  TRP  33           HE3      TRP  33  48.590  33.119  -7.305
  261    HZ2  TRP  33           HZ2      TRP  33  46.340  34.065  -2.975
  262    HZ3  TRP  33           HZ3      TRP  33  49.133  35.181  -6.042
  263    HH2  TRP  33           HH2      TRP  33  48.014  35.658  -3.882

  No H/Q in entry =         263
  Start of MODEL    6
    1    H1   ASN   1           HT3      ASN   1  45.785  -6.164   8.083
    2    H2   ASN   1           HT2      ASN   1  44.956  -6.558   6.654
    3    H3   ASN   1           HT1      ASN   1  44.434  -7.189   8.142
    4    HA   ASN   1           HA       ASN   1  46.382  -8.531   8.352
    5   1HB   ASN   1           HB2      ASN   1  45.386  -8.762   5.501
    6   2HB   ASN   1           HB1      ASN   1  45.999 -10.056   6.532
    7   1HD2  ASN   1          1HD2      ASN   1  44.554 -10.984   8.091
    8   2HD2  ASN   1          2HD2      ASN   1  42.916 -10.553   8.194
    9    H    GLU   2           HN       GLU   2  46.465  -6.404   5.524
   10    HA   GLU   2           HA       GLU   2  48.324  -5.285   4.606
   11   1HB   GLU   2           HB2      GLU   2  49.404  -5.889   6.973
   12   2HB   GLU   2           HB1      GLU   2  50.307  -7.059   6.013
   13   1HG   GLU   2           HG2      GLU   2  51.635  -5.075   6.040
   14   2HG   GLU   2           HG1      GLU   2  50.884  -5.126   4.445
   15    H    LEU   3           HN       LEU   3  47.743  -8.658   4.620
   16    HA   LEU   3           HA       LEU   3  49.641  -9.216   2.419
   17   1HB   LEU   3           HB2      LEU   3  47.517 -10.951   3.727
   18   2HB   LEU   3           HB1      LEU   3  48.631 -11.500   2.481
   19    HG   LEU   3           HG       LEU   3  49.462 -12.167   4.675
   20   1HD1  LEU   3          2HD1      LEU   3  51.013 -11.175   2.791
   21   2HD1  LEU   3          1HD1      LEU   3  51.258  -9.867   3.950
   22   3HD1  LEU   3          3HD1      LEU   3  51.676 -11.523   4.386
   23   1HD2  LEU   3          3HD2      LEU   3  48.275 -10.065   5.758
   24   2HD2  LEU   3          2HD2      LEU   3  49.719 -10.750   6.499
   25   3HD2  LEU   3          1HD2      LEU   3  49.847  -9.302   5.504
   26    H    ASP   4           HN       ASP   4  48.055 -10.921   0.843
   27    HA   ASP   4           HA       ASP   4  45.693  -9.396  -0.040
   28   1HB   ASP   4           HB2      ASP   4  48.109  -9.745  -1.845
   29   2HB   ASP   4           HB1      ASP   4  46.550  -9.082  -2.335
   30    H    VAL   5           HN       VAL   5  45.967 -12.011   0.992
   31    HA   VAL   5           HA       VAL   5  45.412 -13.721  -1.413
   32    HB   VAL   5           HB       VAL   5  45.890 -15.551   0.528
   33   1HG1  VAL   5          3HG1      VAL   5  48.030 -14.060  -1.018
   34   2HG1  VAL   5          2HG1      VAL   5  48.234 -15.647  -0.277
   35   3HG1  VAL   5          1HG1      VAL   5  47.094 -15.435  -1.605
   36   1HG2  VAL   5          2HG2      VAL   5  46.285 -13.577   2.137
   37   2HG2  VAL   5          1HG2      VAL   5  47.504 -14.850   2.117
   38   3HG2  VAL   5          3HG2      VAL   5  47.799 -13.331   1.271
   39    HA   PRO   6           HA       PRO   6  41.292 -14.166   0.124
   40   1HB   PRO   6           HB2      PRO   6  40.681 -16.768  -0.534
   41   2HB   PRO   6           HB1      PRO   6  40.801 -15.462  -1.732
   42   1HG   PRO   6           HG2      PRO   6  42.827 -17.534  -0.996
   43   2HG   PRO   6           HG1      PRO   6  42.364 -16.934  -2.600
   44   1HD   PRO   6           HD2      PRO   6  44.615 -16.072  -1.339
   45   2HD   PRO   6           HD1      PRO   6  43.672 -15.012  -2.410
   46    H    GLU   7           HN       GLU   7  43.637 -14.971   1.970
   47    HA   GLU   7           HA       GLU   7  42.879 -17.216   3.539
   48   1HB   GLU   7           HB2      GLU   7  44.161 -16.082   5.375
   49   2HB   GLU   7           HB1      GLU   7  45.053 -16.153   3.855
   50   1HG   GLU   7           HG2      GLU   7  44.291 -13.843   3.331
   51   2HG   GLU   7           HG1      GLU   7  43.491 -13.773   4.901
   52    H    GLN   8           HN       GLN   8  41.693 -13.950   3.373
   53    HA   GLN   8           HA       GLN   8  40.202 -13.955   5.837
   54   1HB   GLN   8           HB2      GLN   8  39.382 -12.397   3.388
   55   2HB   GLN   8           HB1      GLN   8  39.280 -11.931   5.084
   56   1HG   GLN   8           HG2      GLN   8  41.825 -11.995   5.130
   57   2HG   GLN   8           HG1      GLN   8  41.761 -12.123   3.372
   58   1HE2  GLN   8          1HE2      GLN   8  39.076 -10.353   4.106
   59   2HE2  GLN   8          2HE2      GLN   8  39.722  -8.787   4.013
   60    H    VAL   9           HN       VAL   9  39.115 -14.320   2.455
   61    HA   VAL   9           HA       VAL   9  36.468 -15.009   2.805
   62    HB   VAL   9           HB       VAL   9  38.536 -16.138   0.904
   63   1HG1  VAL   9          1HG1      VAL   9  35.571 -16.706   1.072
   64   2HG1  VAL   9          3HG1      VAL   9  36.477 -16.874  -0.434
   65   3HG1  VAL   9          2HG1      VAL   9  36.900 -17.862   0.963
   66   1HG2  VAL   9          1HG2      VAL   9  36.266 -14.145   0.630
   67   2HG2  VAL   9          3HG2      VAL   9  37.991 -13.778   0.617
   68   3HG2  VAL   9          2HG2      VAL   9  37.275 -14.700  -0.705
   69    H    ASP  10           HN       ASP  10  39.258 -16.880   3.729
   70    HA   ASP  10           HA       ASP  10  38.000 -19.445   3.977
   71   1HB   ASP  10           HB2      ASP  10  40.498 -18.930   4.146
   72   2HB   ASP  10           HB1      ASP  10  40.179 -18.381   5.792
   73    H    LYS  11           HN       LYS  11  38.899 -17.282   6.650
   74    HA   LYS  11           HA       LYS  11  37.511 -18.276   8.763
   75   1HB   LYS  11           HB2      LYS  11  37.699 -15.378   7.906
   76   2HB   LYS  11           HB1      LYS  11  36.923 -15.838   9.417
   77   1HG   LYS  11           HG2      LYS  11  39.040 -15.604  10.285
   78   2HG   LYS  11           HG1      LYS  11  39.273 -17.230   9.666
   79   1HD   LYS  11           HD2      LYS  11  41.109 -16.167   8.716
   80   2HD   LYS  11           HD1      LYS  11  39.927 -15.948   7.427
   81   1HE   LYS  11           HE2      LYS  11  41.136 -13.839   7.956
   82   2HE   LYS  11           HE1      LYS  11  39.404 -13.697   8.256
   83   1HZ   LYS  11           HZ3      LYS  11  41.084 -14.602  10.465
   84   2HZ   LYS  11           HZ2      LYS  11  41.203 -12.966  10.023
   85   3HZ   LYS  11           HZ1      LYS  11  39.704 -13.616  10.487
   86    H    LEU  12           HN       LEU  12  35.934 -16.496   6.103
   87    HA   LEU  12           HA       LEU  12  33.319 -16.501   7.225
   88   1HB   LEU  12           HB2      LEU  12  34.466 -16.258   4.473
   89   2HB   LEU  12           HB1      LEU  12  32.749 -16.617   4.592
   90    HG   LEU  12           HG       LEU  12  33.388 -14.140   4.467
   91   1HD1  LEU  12          1HD1      LEU  12  31.204 -15.180   5.452
   92   2HD1  LEU  12          3HD1      LEU  12  31.879 -14.716   7.014
   93   3HD1  LEU  12          2HD1      LEU  12  31.566 -13.491   5.788
   94   1HD2  LEU  12          3HD2      LEU  12  35.299 -14.583   6.222
   95   2HD2  LEU  12          2HD2      LEU  12  34.411 -13.063   6.270
   96   3HD2  LEU  12          1HD2      LEU  12  34.014 -14.346   7.413
   97    H    ILE  13           HN       ILE  13  34.810 -18.783   4.925
   98    HA   ILE  13           HA       ILE  13  32.708 -20.671   4.852
   99    HB   ILE  13           HB       ILE  13  35.707 -21.148   4.782
  100   1HG1  ILE  13          2HG1      ILE  13  33.704 -21.074   2.510
  101   2HG1  ILE  13          1HG1      ILE  13  34.640 -19.665   3.009
  102   1HG2  ILE  13          1HG2      ILE  13  33.359 -22.957   4.165
  103   2HG2  ILE  13          3HG2      ILE  13  34.993 -23.276   3.584
  104   3HG2  ILE  13          2HG2      ILE  13  34.664 -23.244   5.316
  105   1HD1  ILE  13          1HD1      ILE  13  35.924 -22.307   2.285
  106   2HD1  ILE  13          3HD1      ILE  13  35.644 -21.026   1.104
  107   3HD1  ILE  13          2HD1      ILE  13  36.712 -20.741   2.478
  108    H    GLN  14           HN       GLN  14  35.519 -20.550   7.046
  109    HA   GLN  14           HA       GLN  14  34.745 -22.719   8.708
  110   1HB   GLN  14           HB2      GLN  14  36.346 -20.225   9.333
  111   2HB   GLN  14           HB1      GLN  14  36.231 -21.623  10.396
  112   1HG   GLN  14           HG2      GLN  14  37.058 -23.031   8.445
  113   2HG   GLN  14           HG1      GLN  14  37.423 -21.515   7.620
  114   1HE2  GLN  14          1HE2      GLN  14  39.422 -20.564   8.101
  115   2HE2  GLN  14          2HE2      GLN  14  40.413 -21.012   9.404
  116    H    GLN  15           HN       GLN  15  34.161 -19.199   9.091
  117    HA   GLN  15           HA       GLN  15  32.628 -19.400  11.486
  118   1HB   GLN  15           HB2      GLN  15  32.676 -17.382   9.242
  119   2HB   GLN  15           HB1      GLN  15  31.616 -17.186  10.630
  120   1HG   GLN  15           HG2      GLN  15  34.588 -17.657  10.923
  121   2HG   GLN  15           HG1      GLN  15  33.899 -16.039  10.784
  122   1HE2  GLN  15          1HE2      GLN  15  31.560 -17.873  12.298
  123   2HE2  GLN  15          2HE2      GLN  15  31.964 -17.554  13.915
  124    H    ALA  16           HN       ALA  16  31.408 -18.928   8.140
  125    HA   ALA  16           HA       ALA  16  28.691 -19.416   8.723
  126   1HB   ALA  16           HB3      ALA  16  28.461 -20.012   6.333
  127   2HB   ALA  16           HB2      ALA  16  29.457 -18.571   6.541
  128   3HB   ALA  16           HB1      ALA  16  30.217 -20.126   6.198
  129    H    THR  17           HN       THR  17  31.350 -21.675   8.187
  130    HA   THR  17           HA       THR  17  29.714 -24.047   8.013
  131    HB   THR  17           HB       THR  17  32.611 -23.643   8.809
  132    HG1  THR  17           HG1      THR  17  31.943 -25.016   6.539
  133   1HG2  THR  17          2HG2      THR  17  30.977 -26.158   8.454
  134   2HG2  THR  17          1HG2      THR  17  32.735 -26.150   8.307
  135   3HG2  THR  17          3HG2      THR  17  31.974 -25.695   9.833
  136    H    SER  18           HN       SER  18  31.665 -22.711  10.706
  137    HA   SER  18           HA       SER  18  30.982 -24.465  12.733
  138   1HB   SER  18           HB2      SER  18  30.924 -22.198  14.175
  139   2HB   SER  18           HB1      SER  18  32.425 -22.816  13.494
  140    HG   SER  18           HG       SER  18  30.798 -20.692  12.667
  141    H    ILE  19           HN       ILE  19  29.211 -21.353  12.511
  142    HA   ILE  19           HA       ILE  19  27.037 -21.779  14.023
  143    HB   ILE  19           HB       ILE  19  27.387 -20.469  11.338
  144   1HG1  ILE  19          2HG1      ILE  19  26.836 -18.449  12.693
  145   2HG1  ILE  19          1HG1      ILE  19  26.639 -19.481  14.107
  146   1HG2  ILE  19          3HG2      ILE  19  24.745 -20.816  12.773
  147   2HG2  ILE  19          2HG2      ILE  19  25.046 -19.502  11.638
  148   3HG2  ILE  19          1HG2      ILE  19  25.117 -21.173  11.087
  149   1HD1  ILE  19          2HD1      ILE  19  29.192 -19.340  12.481
  150   2HD1  ILE  19          1HD1      ILE  19  28.902 -18.393  13.940
  151   3HD1  ILE  19          3HD1      ILE  19  28.956 -20.154  14.033
  152    H    GLU  20           HN       GLU  20  27.087 -22.921  10.607
  153    HA   GLU  20           HA       GLU  20  24.595 -24.120  10.501
  154   1HB   GLU  20           HB2      GLU  20  27.220 -25.102   9.363
  155   2HB   GLU  20           HB1      GLU  20  25.672 -25.851   8.979
  156   1HG   GLU  20           HG2      GLU  20  26.167 -22.888   8.638
  157   2HG   GLU  20           HG1      GLU  20  26.471 -24.053   7.350
  158    H    ARG  21           HN       ARG  21  27.550 -25.879  11.559
  159    HA   ARG  21           HA       ARG  21  25.899 -28.029  12.638
  160   1HB   ARG  21           HB2      ARG  21  28.879 -27.522  12.610
  161   2HB   ARG  21           HB1      ARG  21  28.157 -28.940  13.365
  162   1HG   ARG  21           HG2      ARG  21  27.414 -28.285  10.519
  163   2HG   ARG  21           HG1      ARG  21  28.979 -29.028  10.835
  164   1HD   ARG  21           HD2      ARG  21  28.013 -30.982  11.733
  165   2HD   ARG  21           HD1      ARG  21  26.457 -30.199  12.008
  166    HE   ARG  21           HE       ARG  21  25.880 -30.744   9.792
  167   1HH1  ARG  21          1HH1      ARG  21  29.280 -30.925  10.324
  168   2HH1  ARG  21          2HH1      ARG  21  29.641 -31.437   8.710
  169   1HH2  ARG  21          1HH2      ARG  21  26.340 -31.340   7.656
  170   2HH2  ARG  21          2HH2      ARG  21  27.977 -31.672   7.199
  171    H    LEU  22           HN       LEU  22  27.331 -25.115  13.885
  172    HA   LEU  22           HA       LEU  22  27.307 -26.080  16.672
  173   1HB   LEU  22           HB2      LEU  22  28.197 -23.603  15.245
  174   2HB   LEU  22           HB1      LEU  22  27.760 -23.431  16.945
  175    HG   LEU  22           HG       LEU  22  29.341 -25.217  17.546
  176   1HD1  LEU  22          1HD1      LEU  22  29.827 -25.294  14.569
  177   2HD1  LEU  22          3HD1      LEU  22  30.947 -25.988  15.734
  178   3HD1  LEU  22          2HD1      LEU  22  29.305 -26.615  15.608
  179   1HD2  LEU  22          3HD2      LEU  22  30.025 -22.615  16.716
  180   2HD2  LEU  22          2HD2      LEU  22  31.013 -23.695  17.692
  181   3HD2  LEU  22          1HD2      LEU  22  31.236 -23.643  15.949
  182    H    CYS  23           HN       CYS  23  25.403 -23.800  14.676
  183    HA   CYS  23           HA       CYS  23  23.673 -23.126  16.911
  184   1HB   CYS  23           HB2      CYS  23  23.553 -22.575  13.947
  185   2HB   CYS  23           HB1      CYS  23  22.300 -22.042  15.058
  186    H    GLN  24           HN       GLN  24  23.799 -25.820  14.830
  187    HA   GLN  24           HA       GLN  24  20.905 -26.280  14.781
  188   1HB   GLN  24           HB2      GLN  24  23.343 -27.808  13.881
  189   2HB   GLN  24           HB1      GLN  24  21.781 -28.617  13.966
  190   1HG   GLN  24           HG2      GLN  24  22.204 -26.009  12.490
  191   2HG   GLN  24           HG1      GLN  24  22.339 -27.586  11.712
  192   1HE2  GLN  24          1HE2      GLN  24  20.063 -28.105  14.041
  193   2HE2  GLN  24          2HE2      GLN  24  18.656 -27.731  13.168
  194    H    HIS  25           HN       HIS  25  23.503 -26.896  16.967
  195    HA   HIS  25           HA       HIS  25  22.161 -29.159  18.288
  196   1HB   HIS  25           HB2      HIS  25  24.648 -27.552  18.911
  197   2HB   HIS  25           HB1      HIS  25  24.038 -28.814  19.981
  198    HD1  HIS  25           HD1      HIS  25  23.331 -31.089  18.283
  199    HD2  HIS  25           HD2      HIS  25  26.597 -28.683  17.319
  200    HE1  HIS  25           HE1      HIS  25  24.821 -32.475  16.776
  201    H    TYR  26           HN       TYR  26  22.308 -25.691  18.592
  202    HA   TYR  26           HA       TYR  26  21.127 -25.708  21.293
  203   1HB   TYR  26           HB2      TYR  26  21.857 -23.456  19.409
  204   2HB   TYR  26           HB1      TYR  26  21.244 -23.240  21.043
  205    HD1  TYR  26           HD1      TYR  26  24.189 -23.411  19.162
  206    HD2  TYR  26           HD2      TYR  26  22.512 -24.745  22.886
  207    HE1  TYR  26           HE1      TYR  26  26.469 -23.687  20.088
  208    HE2  TYR  26           HE2      TYR  26  24.795 -25.024  23.810
  209    HH   TYR  26           HH       TYR  26  27.104 -25.395  22.930
  210    H    ILE  27           HN       ILE  27  19.669 -23.183  20.318
  211    HA   ILE  27           HA       ILE  27  17.281 -24.536  19.110
  212    HB   ILE  27           HB       ILE  27  17.083 -22.247  21.081
  213   1HG1  ILE  27          2HG1      ILE  27  18.336 -24.020  22.238
  214   2HG1  ILE  27          1HG1      ILE  27  16.709 -23.881  22.887
  215   1HG2  ILE  27          1HG2      ILE  27  15.195 -24.400  20.100
  216   2HG2  ILE  27          3HG2      ILE  27  14.845 -23.382  21.496
  217   3HG2  ILE  27          2HG2      ILE  27  15.047 -22.653  19.906
  218   1HD1  ILE  27          2HD1      ILE  27  16.422 -25.784  20.856
  219   2HD1  ILE  27          1HD1      ILE  27  17.991 -26.156  21.568
  220   3HD1  ILE  27          3HD1      ILE  27  16.553 -26.113  22.580
  221    H    GLY  28           HN       GLY  28  15.734 -22.701  18.242
  222   1HA   GLY  28           HA1      GLY  28  15.418 -20.697  16.994
  223   2HA   GLY  28           HA2      GLY  28  16.731 -21.408  16.053
  224    H    TRP  29           HN       TRP  29  16.645 -19.928  19.310
  225    HA   TRP  29           HA       TRP  29  18.228 -17.631  18.444
  226   1HB   TRP  29           HB2      TRP  29  16.874 -17.121  20.302
  227   2HB   TRP  29           HB1      TRP  29  17.179 -18.674  21.073
  228    HD1  TRP  29           HD1      TRP  29  18.913 -15.304  20.377
  229    HE1  TRP  29           HE1      TRP  29  20.767 -14.971  22.146
  230    HE3  TRP  29           HE3      TRP  29  18.665 -19.801  22.784
  231    HZ2  TRP  29           HZ2      TRP  29  21.965 -16.409  24.301
  232    HZ3  TRP  29           HZ3      TRP  29  20.171 -20.293  24.689
  233    HH2  TRP  29           HH2      TRP  29  21.819 -18.604  25.450
  234    H    CYS  30           HN       CYS  30  20.342 -18.019  17.846
  235    HA   CYS  30           HA       CYS  30  21.951 -19.931  19.501
  236   1HB   CYS  30           HB2      CYS  30  21.571 -20.895  17.322
  237   2HB   CYS  30           HB1      CYS  30  22.010 -19.384  16.526
  238    HA   PRO  31           HA       PRO  31  24.169 -15.947  19.811
  239   1HB   PRO  31           HB2      PRO  31  25.727 -16.550  21.984
  240   2HB   PRO  31           HB1      PRO  31  24.023 -16.080  22.115
  241   1HG   PRO  31           HG2      PRO  31  25.256 -18.774  22.323
  242   2HG   PRO  31           HG1      PRO  31  23.848 -18.108  23.166
  243   1HD   PRO  31           HD2      PRO  31  23.734 -19.834  20.961
  244   2HD   PRO  31           HD1      PRO  31  22.397 -18.803  21.516
  245    H    PHE  32           HN       PHE  32  25.088 -17.132  17.690
  246    HA   PHE  32           HA       PHE  32  28.041 -17.413  18.100
  247   1HB   PHE  32           HB2      PHE  32  26.170 -19.269  16.628
  248   2HB   PHE  32           HB1      PHE  32  27.846 -19.120  16.113
  249    HD1  PHE  32           HD1      PHE  32  29.521 -20.367  17.184
  250    HD2  PHE  32           HD2      PHE  32  25.762 -19.756  19.173
  251    HE1  PHE  32           HE1      PHE  32  30.225 -21.910  18.991
  252    HE2  PHE  32           HE2      PHE  32  26.469 -21.294  20.981
  253    HZ   PHE  32           HZ       PHE  32  28.700 -22.372  20.892
  254    H    TRP  33           HN       TRP  33  25.328 -16.648  15.960
  255    HA   TRP  33           HA       TRP  33  26.663 -15.878  13.631
  256   1HB   TRP  33           HB2      TRP  33  24.278 -14.651  15.023
  257   2HB   TRP  33           HB1      TRP  33  24.836 -14.086  13.450
  258    HD1  TRP  33           HD1      TRP  33  25.374 -16.477  11.782
  259    HE1  TRP  33           HE1      TRP  33  23.625 -18.285  11.255
  260    HE3  TRP  33           HE3      TRP  33  22.116 -15.693  15.636
  261    HZ2  TRP  33           HZ2      TRP  33  21.154 -19.270  12.321
  262    HZ3  TRP  33           HZ3      TRP  33  20.073 -17.079  15.855
  263    HH2  TRP  33           HH2      TRP  33  19.588 -18.865  14.204

  No H/Q in entry =         263
  Start of MODEL    7
    1    H1   ASN   1           HT2      ASN   1  54.956  17.558  -1.787
    2    H2   ASN   1           HT1      ASN   1  54.707  18.309  -0.283
    3    H3   ASN   1           HT3      ASN   1  56.256  17.767  -0.713
    4    HA   ASN   1           HA       ASN   1  55.751  15.964   0.488
    5   1HB   ASN   1           HB2      ASN   1  53.338  15.335   0.927
    6   2HB   ASN   1           HB1      ASN   1  53.790  16.942   1.498
    7   1HD2  ASN   1          1HD2      ASN   1  51.566  15.239  -0.487
    8   2HD2  ASN   1          2HD2      ASN   1  50.882  16.582  -1.267
    9    H    GLU   2           HN       GLU   2  56.646  14.522  -0.986
   10    HA   GLU   2           HA       GLU   2  55.535  13.852  -3.521
   11   1HB   GLU   2           HB2      GLU   2  57.890  13.339  -2.593
   12   2HB   GLU   2           HB1      GLU   2  57.151  11.928  -1.840
   13   1HG   GLU   2           HG2      GLU   2  56.239  11.344  -4.157
   14   2HG   GLU   2           HG1      GLU   2  57.333  12.575  -4.787
   15    H    LEU   3           HN       LEU   3  54.525  13.021  -0.355
   16    HA   LEU   3           HA       LEU   3  53.161  10.536  -1.159
   17   1HB   LEU   3           HB2      LEU   3  52.984  12.156   1.406
   18   2HB   LEU   3           HB1      LEU   3  52.255  10.576   1.153
   19    HG   LEU   3           HG       LEU   3  54.331  10.283   2.366
   20   1HD1  LEU   3          2HD1      LEU   3  53.676   8.754   0.340
   21   2HD1  LEU   3          1HD1      LEU   3  55.094   9.469  -0.427
   22   3HD1  LEU   3          3HD1      LEU   3  55.263   8.576   1.084
   23   1HD2  LEU   3          2HD2      LEU   3  55.282  12.510   1.272
   24   2HD2  LEU   3          1HD2      LEU   3  56.372  11.242   1.822
   25   3HD2  LEU   3          3HD2      LEU   3  55.984  11.383   0.111
   26    H    ASP   4           HN       ASP   4  50.692  10.650  -0.107
   27    HA   ASP   4           HA       ASP   4  49.241  13.082  -0.607
   28   1HB   ASP   4           HB2      ASP   4  48.057  12.324  -2.678
   29   2HB   ASP   4           HB1      ASP   4  49.770  12.644  -2.946
   30    H    VAL   5           HN       VAL   5  48.846  11.800   1.564
   31    HA   VAL   5           HA       VAL   5  46.625   9.827   1.201
   32    HB   VAL   5           HB       VAL   5  47.157   9.485   3.745
   33   1HG1  VAL   5          2HG1      VAL   5  47.662   7.849   1.938
   34   2HG1  VAL   5          1HG1      VAL   5  49.206   8.661   1.674
   35   3HG1  VAL   5          3HG1      VAL   5  48.884   7.856   3.210
   36   1HG2  VAL   5          1HG2      VAL   5  48.628  11.576   3.727
   37   2HG2  VAL   5          3HG2      VAL   5  49.334  10.141   4.468
   38   3HG2  VAL   5          2HG2      VAL   5  49.809  10.615   2.837
   39    HA   PRO   6           HA       PRO   6  43.928  12.973   2.903
   40   1HB   PRO   6           HB2      PRO   6  41.930  11.424   3.970
   41   2HB   PRO   6           HB1      PRO   6  42.131  11.659   2.222
   42   1HG   PRO   6           HG2      PRO   6  42.952   9.347   3.922
   43   2HG   PRO   6           HG1      PRO   6  42.249   9.354   2.294
   44   1HD   PRO   6           HD2      PRO   6  44.937   8.997   2.764
   45   2HD   PRO   6           HD1      PRO   6  44.298   9.713   1.267
   46    H    GLU   7           HN       GLU   7  46.172  11.828   4.537
   47    HA   GLU   7           HA       GLU   7  45.431  11.241   7.190
   48   1HB   GLU   7           HB2      GLU   7  47.789  11.395   5.913
   49   2HB   GLU   7           HB1      GLU   7  47.847  12.966   6.704
   50   1HG   GLU   7           HG2      GLU   7  47.617  10.239   7.995
   51   2HG   GLU   7           HG1      GLU   7  48.901  11.430   8.198
   52    H    GLN   8           HN       GLN   8  45.710  14.310   5.523
   53    HA   GLN   8           HA       GLN   8  45.347  15.935   7.907
   54   1HB   GLN   8           HB2      GLN   8  45.004  16.620   4.981
   55   2HB   GLN   8           HB1      GLN   8  45.047  17.780   6.301
   56   1HG   GLN   8           HG2      GLN   8  47.298  15.819   5.860
   57   2HG   GLN   8           HG1      GLN   8  47.253  17.371   5.024
   58   1HE2  GLN   8          1HE2      GLN   8  46.140  18.982   7.117
   59   2HE2  GLN   8          2HE2      GLN   8  47.266  19.065   8.385
   60    H    VAL   9           HN       VAL   9  43.241  15.240   5.107
   61    HA   VAL   9           HA       VAL   9  40.885  16.436   5.915
   62    HB   VAL   9           HB       VAL   9  41.075  13.633   4.758
   63   1HG1  VAL   9          2HG1      VAL   9  38.813  14.342   5.505
   64   2HG1  VAL   9          1HG1      VAL   9  38.944  15.773   4.483
   65   3HG1  VAL   9          3HG1      VAL   9  38.909  14.168   3.753
   66   1HG2  VAL   9          3HG2      VAL   9  41.154  16.353   3.415
   67   2HG2  VAL   9          2HG2      VAL   9  42.461  15.169   3.462
   68   3HG2  VAL   9          1HG2      VAL   9  40.986  14.820   2.559
   69    H    ASP  10           HN       ASP  10  42.387  13.566   7.266
   70    HA   ASP  10           HA       ASP  10  40.174  12.584   8.780
   71   1HB   ASP  10           HB2      ASP  10  43.127  12.579   9.493
   72   2HB   ASP  10           HB1      ASP  10  41.891  11.586  10.266
   73    H    LYS  11           HN       LYS  11  42.917  14.381  10.116
   74    HA   LYS  11           HA       LYS  11  42.000  15.243  12.531
   75   1HB   LYS  11           HB2      LYS  11  43.440  16.915  10.452
   76   2HB   LYS  11           HB1      LYS  11  43.106  17.527  12.064
   77   1HG   LYS  11           HG2      LYS  11  45.157  16.616  12.556
   78   2HG   LYS  11           HG1      LYS  11  44.238  15.132  12.734
   79   1HD   LYS  11           HD2      LYS  11  45.817  14.349  11.242
   80   2HD   LYS  11           HD1      LYS  11  44.685  15.010  10.068
   81   1HE   LYS  11           HE2      LYS  11  46.952  15.767   9.550
   82   2HE   LYS  11           HE1      LYS  11  45.971  17.142  10.066
   83   1HZ   LYS  11           HZ1      LYS  11  46.908  16.567  12.384
   84   2HZ   LYS  11           HZ3      LYS  11  48.099  15.718  11.529
   85   3HZ   LYS  11           HZ2      LYS  11  47.904  17.387  11.280
   86    H    LEU  12           HN       LEU  12  40.965  16.710   9.441
   87    HA   LEU  12           HA       LEU  12  39.274  18.683  10.600
   88   1HB   LEU  12           HB2      LEU  12  39.476  17.357   7.923
   89   2HB   LEU  12           HB1      LEU  12  37.998  18.240   8.273
   90    HG   LEU  12           HG       LEU  12  39.904  19.516   7.102
   91   1HD1  LEU  12          2HD1      LEU  12  38.392  20.467   9.525
   92   2HD1  LEU  12          1HD1      LEU  12  39.503  21.554   8.695
   93   3HD1  LEU  12          3HD1      LEU  12  38.140  20.852   7.826
   94   1HD2  LEU  12          2HD2      LEU  12  41.582  18.572   8.880
   95   2HD2  LEU  12          1HD2      LEU  12  41.766  20.229   8.316
   96   3HD2  LEU  12          3HD2      LEU  12  41.013  19.917   9.879
   97    H    ILE  13           HN       ILE  13  38.515  15.414   9.394
   98    HA   ILE  13           HA       ILE  13  35.780  15.377  10.101
   99    HB   ILE  13           HB       ILE  13  37.830  13.137  10.135
  100   1HG1  ILE  13          2HG1      ILE  13  35.610  13.743   8.161
  101   2HG1  ILE  13          1HG1      ILE  13  37.264  14.319   7.956
  102   1HG2  ILE  13          2HG2      ILE  13  34.828  13.104  10.515
  103   2HG2  ILE  13          1HG2      ILE  13  35.726  11.684   9.980
  104   3HG2  ILE  13          3HG2      ILE  13  36.059  12.395  11.559
  105   1HD1  ILE  13          3HD1      ILE  13  36.652  11.393   8.398
  106   2HD1  ILE  13          2HD1      ILE  13  36.648  12.108   6.786
  107   3HD1  ILE  13          1HD1      ILE  13  38.124  12.116   7.750
  108    H    GLN  14           HN       GLN  14  38.587  14.315  12.039
  109    HA   GLN  14           HA       GLN  14  37.170  13.771  14.431
  110   1HB   GLN  14           HB2      GLN  14  39.992  14.838  14.100
  111   2HB   GLN  14           HB1      GLN  14  39.350  14.060  15.543
  112   1HG   GLN  14           HG2      GLN  14  38.801  12.056  14.046
  113   2HG   GLN  14           HG1      GLN  14  39.818  12.826  12.827
  114   1HE2  GLN  14          1HE2      GLN  14  40.197  10.312  14.622
  115   2HE2  GLN  14          2HE2      GLN  14  41.739  10.539  15.295
  116    H    GLN  15           HN       GLN  15  38.737  16.788  13.324
  117    HA   GLN  15           HA       GLN  15  38.018  18.338  15.627
  118   1HB   GLN  15           HB2      GLN  15  38.707  19.065  12.778
  119   2HB   GLN  15           HB1      GLN  15  38.325  20.293  13.975
  120   1HG   GLN  15           HG2      GLN  15  40.434  18.177  14.439
  121   2HG   GLN  15           HG1      GLN  15  40.803  19.739  13.707
  122   1HE2  GLN  15          1HE2      GLN  15  40.158  21.711  15.061
  123   2HE2  GLN  15          2HE2      GLN  15  40.227  21.573  16.751
  124    H    ALA  16           HN       ALA  16  36.557  18.406  12.342
  125    HA   ALA  16           HA       ALA  16  34.280  19.924  13.057
  126   1HB   ALA  16           HB1      ALA  16  34.350  17.694  11.004
  127   2HB   ALA  16           HB3      ALA  16  33.251  19.073  11.033
  128   3HB   ALA  16           HB2      ALA  16  34.968  19.320  10.713
  129    H    THR  17           HN       THR  17  34.788  16.402  13.130
  130    HA   THR  17           HA       THR  17  32.161  15.653  13.929
  131    HB   THR  17           HB       THR  17  34.834  14.414  14.661
  132    HG1  THR  17           HG1      THR  17  32.934  13.415  12.850
  133   1HG2  THR  17          3HG2      THR  17  31.992  13.465  15.060
  134   2HG2  THR  17          2HG2      THR  17  33.370  12.364  15.058
  135   3HG2  THR  17          1HG2      THR  17  33.258  13.634  16.277
  136    H    SER  18           HN       SER  18  35.025  16.151  16.017
  137    HA   SER  18           HA       SER  18  33.808  16.029  18.513
  138   1HB   SER  18           HB2      SER  18  35.559  18.009  19.016
  139   2HB   SER  18           HB1      SER  18  36.098  16.364  18.697
  140    HG   SER  18           HG       SER  18  36.224  18.647  17.116
  141    H    ILE  19           HN       ILE  19  34.609  19.278  17.307
  142    HA   ILE  19           HA       ILE  19  32.944  20.855  18.711
  143    HB   ILE  19           HB       ILE  19  33.789  20.909  15.824
  144   1HG1  ILE  19          2HG1      ILE  19  34.959  22.971  16.622
  145   2HG1  ILE  19          1HG1      ILE  19  34.289  22.692  18.227
  146   1HG2  ILE  19          3HG2      ILE  19  31.854  22.848  17.106
  147   2HG2  ILE  19          2HG2      ILE  19  32.845  23.276  15.716
  148   3HG2  ILE  19          1HG2      ILE  19  31.664  21.976  15.587
  149   1HD1  ILE  19          3HD1      ILE  19  35.994  20.670  16.748
  150   2HD1  ILE  19          2HD1      ILE  19  36.630  21.818  17.928
  151   3HD1  ILE  19          1HD1      ILE  19  35.466  20.593  18.434
  152    H    GLU  20           HN       GLU  20  31.814  19.281  15.688
  153    HA   GLU  20           HA       GLU  20  29.193  20.170  15.650
  154   1HB   GLU  20           HB2      GLU  20  30.373  17.480  14.958
  155   2HB   GLU  20           HB1      GLU  20  28.650  17.790  14.749
  156   1HG   GLU  20           HG2      GLU  20  30.746  19.646  13.607
  157   2HG   GLU  20           HG1      GLU  20  30.167  18.238  12.716
  158    H    ARG  21           HN       ARG  21  30.173  17.141  17.329
  159    HA   ARG  21           HA       ARG  21  27.616  17.058  18.722
  160   1HB   ARG  21           HB2      ARG  21  30.065  15.376  19.273
  161   2HB   ARG  21           HB1      ARG  21  28.390  14.990  19.662
  162   1HG   ARG  21           HG2      ARG  21  29.489  15.328  16.854
  163   2HG   ARG  21           HG1      ARG  21  29.170  13.782  17.637
  164   1HD   ARG  21           HD2      ARG  21  26.759  14.704  17.986
  165   2HD   ARG  21           HD1      ARG  21  27.198  15.879  16.745
  166    HE   ARG  21           HE       ARG  21  27.206  14.129  15.134
  167   1HH1  ARG  21          1HH1      ARG  21  28.727  12.159  16.903
  168   2HH1  ARG  21          2HH1      ARG  21  27.553  10.897  17.079
  169   1HH2  ARG  21          1HH2      ARG  21  24.901  12.847  15.987
  170   2HH2  ARG  21          2HH2      ARG  21  25.387  11.287  16.562
  171    H    LEU  22           HN       LEU  22  30.735  18.424  19.386
  172    HA   LEU  22           HA       LEU  22  30.303  18.450  22.306
  173   1HB   LEU  22           HB2      LEU  22  32.508  19.221  20.429
  174   2HB   LEU  22           HB1      LEU  22  32.451  20.053  21.984
  175    HG   LEU  22           HG       LEU  22  32.488  17.901  23.163
  176   1HD1  LEU  22          1HD1      LEU  22  32.576  16.730  20.374
  177   2HD1  LEU  22          3HD1      LEU  22  32.903  15.817  21.843
  178   3HD1  LEU  22          2HD1      LEU  22  31.302  16.501  21.570
  179   1HD2  LEU  22          2HD2      LEU  22  34.628  19.081  22.143
  180   2HD2  LEU  22          1HD2      LEU  22  34.767  17.490  22.883
  181   3HD2  LEU  22          3HD2      LEU  22  34.692  17.645  21.130
  182    H    CYS  23           HN       CYS  23  30.533  20.890  19.691
  183    HA   CYS  23           HA       CYS  23  29.806  23.053  21.454
  184   1HB   CYS  23           HB2      CYS  23  29.960  22.806  18.453
  185   2HB   CYS  23           HB1      CYS  23  29.560  24.311  19.269
  186    H    GLN  24           HN       GLN  24  27.873  20.687  19.817
  187    HA   GLN  24           HA       GLN  24  25.536  22.398  19.538
  188   1HB   GLN  24           HB2      GLN  24  26.090  19.447  19.298
  189   2HB   GLN  24           HB1      GLN  24  24.421  20.002  19.397
  190   1HG   GLN  24           HG2      GLN  24  24.738  21.444  17.455
  191   2HG   GLN  24           HG1      GLN  24  26.448  21.020  17.385
  192   1HE2  GLN  24          1HE2      GLN  24  23.465  20.236  16.046
  193   2HE2  GLN  24          2HE2      GLN  24  23.824  18.669  15.503
  194    H    HIS  25           HN       HIS  25  27.017  20.691  22.138
  195    HA   HIS  25           HA       HIS  25  24.528  20.530  23.724
  196   1HB   HIS  25           HB2      HIS  25  27.412  19.815  24.309
  197   2HB   HIS  25           HB1      HIS  25  26.121  19.675  25.503
  198    HD1  HIS  25           HD1      HIS  25  25.867  17.157  25.622
  199    HD2  HIS  25           HD2      HIS  25  25.759  18.581  21.705
  200    HE1  HIS  25           HE1      HIS  25  25.207  15.194  24.164
  201    H    TYR  26           HN       TYR  26  27.132  22.753  23.213
  202    HA   TYR  26           HA       TYR  26  26.616  24.174  25.763
  203   1HB   TYR  26           HB2      TYR  26  28.675  24.533  23.576
  204   2HB   TYR  26           HB1      TYR  26  28.550  25.571  24.990
  205    HD1  TYR  26           HD1      TYR  26  28.355  24.258  27.313
  206    HD2  TYR  26           HD2      TYR  26  30.142  22.706  23.730
  207    HE1  TYR  26           HE1      TYR  26  29.645  22.624  28.661
  208    HE2  TYR  26           HE2      TYR  26  31.431  21.073  25.076
  209    HH   TYR  26           HH       TYR  26  30.712  20.277  28.176
  210    H    ILE  27           HN       ILE  27  27.456  26.679  24.251
  211    HA   ILE  27           HA       ILE  27  24.804  27.321  23.000
  212    HB   ILE  27           HB       ILE  27  26.526  29.333  24.467
  213   1HG1  ILE  27          2HG1      ILE  27  26.054  27.546  26.080
  214   2HG1  ILE  27          1HG1      ILE  27  25.115  28.982  26.467
  215   1HG2  ILE  27          1HG2      ILE  27  23.608  29.192  23.667
  216   2HG2  ILE  27          3HG2      ILE  27  24.252  30.414  24.762
  217   3HG2  ILE  27          2HG2      ILE  27  24.830  30.330  23.100
  218   1HD1  ILE  27          1HD1      ILE  27  23.372  27.610  24.815
  219   2HD1  ILE  27          3HD1      ILE  27  24.199  26.301  25.657
  220   3HD1  ILE  27          2HD1      ILE  27  23.360  27.545  26.574
  221    H    GLY  28           HN       GLY  28  25.064  29.383  21.575
  222   1HA   GLY  28           HA1      GLY  28  26.252  30.634  19.931
  223   2HA   GLY  28           HA2      GLY  28  26.590  29.007  19.342
  224    H    TRP  29           HN       TRP  29  27.751  30.756  22.230
  225    HA   TRP  29           HA       TRP  29  30.463  31.007  21.188
  226   1HB   TRP  29           HB2      TRP  29  29.952  32.650  22.800
  227   2HB   TRP  29           HB1      TRP  29  29.099  31.509  23.834
  228    HD1  TRP  29           HD1      TRP  29  32.715  32.219  22.647
  229    HE1  TRP  29           HE1      TRP  29  34.323  31.573  24.557
  230    HE3  TRP  29           HE3      TRP  29  29.370  30.340  26.019
  231    HZ2  TRP  29           HZ2      TRP  29  34.205  30.418  27.172
  232    HZ3  TRP  29           HZ3      TRP  29  30.145  29.476  28.209
  233    HH2  TRP  29           HH2      TRP  29  32.555  29.512  28.789
  234    H    CYS  30           HN       CYS  30  31.714  29.157  20.940
  235    HA   CYS  30           HA       CYS  30  31.480  27.013  23.018
  236   1HB   CYS  30           HB2      CYS  30  30.376  26.437  20.848
  237   2HB   CYS  30           HB1      CYS  30  31.930  26.658  20.045
  238    HA   PRO  31           HA       PRO  31  35.919  28.135  22.795
  239   1HB   PRO  31           HB2      PRO  31  36.690  27.097  25.211
  240   2HB   PRO  31           HB1      PRO  31  35.881  28.666  25.047
  241   1HG   PRO  31           HG2      PRO  31  34.771  26.053  25.926
  242   2HG   PRO  31           HG1      PRO  31  34.360  27.692  26.459
  243   1HD   PRO  31           HD2      PRO  31  32.861  26.173  24.649
  244   2HD   PRO  31           HD1      PRO  31  32.754  27.939  24.822
  245    H    PHE  32           HN       PHE  32  35.556  26.257  21.081
  246    HA   PHE  32           HA       PHE  32  37.365  24.006  21.871
  247   1HB   PHE  32           HB2      PHE  32  34.646  23.824  20.558
  248   2HB   PHE  32           HB1      PHE  32  35.852  22.558  20.345
  249    HD1  PHE  32           HD1      PHE  32  34.055  24.507  22.995
  250    HD2  PHE  32           HD2      PHE  32  36.117  20.880  21.975
  251    HE1  PHE  32           HE1      PHE  32  33.422  23.534  25.184
  252    HE2  PHE  32           HE2      PHE  32  35.476  19.901  24.162
  253    HZ   PHE  32           HZ       PHE  32  34.134  21.232  25.770
  254    H    TRP  33           HN       TRP  33  35.883  25.941  19.291
  255    HA   TRP  33           HA       TRP  33  37.196  24.943  17.039
  256   1HB   TRP  33           HB2      TRP  33  36.557  27.802  17.803
  257   2HB   TRP  33           HB1      TRP  33  37.176  27.355  16.215
  258    HD1  TRP  33           HD1      TRP  33  35.654  24.991  15.286
  259    HE1  TRP  33           HE1      TRP  33  33.094  24.930  15.048
  260    HE3  TRP  33           HE3      TRP  33  34.389  28.820  18.420
  261    HZ2  TRP  33           HZ2      TRP  33  30.801  26.328  16.049
  262    HZ3  TRP  33           HZ3      TRP  33  32.012  29.434  18.758
  263    HH2  TRP  33           HH2      TRP  33  30.218  28.195  17.577

  No H/Q in entry =         263
  Start of MODEL    8
    1    H1   ASN   1           HT2      ASN   1  54.342  24.343 -20.266
    2    H2   ASN   1           HT1      ASN   1  53.288  24.758 -21.532
    3    H3   ASN   1           HT3      ASN   1  52.662  24.324 -20.017
    4    HA   ASN   1           HA       ASN   1  52.651  22.184 -20.533
    5   1HB   ASN   1           HB2      ASN   1  53.595  23.306 -23.185
    6   2HB   ASN   1           HB1      ASN   1  53.096  21.628 -22.962
    7   1HD2  ASN   1          1HD2      ASN   1  51.939  24.863 -23.449
    8   2HD2  ASN   1          2HD2      ASN   1  50.283  24.517 -23.310
    9    H    GLU   2           HN       GLU   2  54.027  20.268 -21.283
   10    HA   GLU   2           HA       GLU   2  56.074  19.115 -21.450
   11   1HB   GLU   2           HB2      GLU   2  56.928  21.486 -22.336
   12   2HB   GLU   2           HB1      GLU   2  57.705  21.548 -20.753
   13   1HG   GLU   2           HG2      GLU   2  58.757  19.341 -21.208
   14   2HG   GLU   2           HG1      GLU   2  58.028  19.342 -22.814
   15    H    LEU   3           HN       LEU   3  54.828  20.831 -18.856
   16    HA   LEU   3           HA       LEU   3  56.845  19.831 -16.911
   17   1HB   LEU   3           HB2      LEU   3  54.342  21.508 -16.533
   18   2HB   LEU   3           HB1      LEU   3  55.438  21.042 -15.236
   19    HG   LEU   3           HG       LEU   3  55.943  23.316 -15.997
   20   1HD1  LEU   3          2HD1      LEU   3  57.790  21.510 -15.433
   21   2HD1  LEU   3          1HD1      LEU   3  58.205  21.700 -17.139
   22   3HD1  LEU   3          3HD1      LEU   3  58.251  23.092 -16.057
   23   1HD2  LEU   3          3HD2      LEU   3  55.117  22.660 -18.433
   24   2HD2  LEU   3          2HD2      LEU   3  56.321  23.926 -18.205
   25   3HD2  LEU   3          1HD2      LEU   3  56.830  22.310 -18.686
   26    H    ASP   4           HN       ASP   4  56.546  17.630 -16.690
   27    HA   ASP   4           HA       ASP   4  53.830  16.508 -16.490
   28   1HB   ASP   4           HB2      ASP   4  56.473  15.103 -16.013
   29   2HB   ASP   4           HB1      ASP   4  54.920  14.362 -16.396
   30    H    VAL   5           HN       VAL   5  52.776  16.222 -14.583
   31    HA   VAL   5           HA       VAL   5  54.356  16.303 -12.036
   32    HB   VAL   5           HB       VAL   5  51.841  17.278 -11.335
   33   1HG1  VAL   5          3HG1      VAL   5  54.063  18.182 -10.657
   34   2HG1  VAL   5          2HG1      VAL   5  54.189  18.969 -12.231
   35   3HG1  VAL   5          1HG1      VAL   5  52.914  19.442 -11.107
   36   1HG2  VAL   5          1HG2      VAL   5  51.382  17.378 -13.857
   37   2HG2  VAL   5          3HG2      VAL   5  51.113  18.868 -12.951
   38   3HG2  VAL   5          2HG2      VAL   5  52.578  18.675 -13.916
   39    HA   PRO   6           HA       PRO   6  52.202  12.478 -11.231
   40   1HB   PRO   6           HB2      PRO   6  52.307  12.387  -8.489
   41   2HB   PRO   6           HB1      PRO   6  53.728  12.112  -9.516
   42   1HG   PRO   6           HG2      PRO   6  52.913  14.577  -8.042
   43   2HG   PRO   6           HG1      PRO   6  54.524  13.861  -8.233
   44   1HD   PRO   6           HD2      PRO   6  53.666  16.002  -9.719
   45   2HD   PRO   6           HD1      PRO   6  54.849  14.819 -10.321
   46    H    GLU   7           HN       GLU   7  50.502  14.774 -11.671
   47    HA   GLU   7           HA       GLU   7  48.594  15.181  -9.607
   48   1HB   GLU   7           HB2      GLU   7  49.002  16.164 -12.171
   49   2HB   GLU   7           HB1      GLU   7  47.507  15.257 -12.371
   50   1HG   GLU   7           HG2      GLU   7  46.693  16.486 -10.251
   51   2HG   GLU   7           HG1      GLU   7  48.067  17.566 -10.500
   52    H    GLN   8           HN       GLN   8  48.731  12.810 -12.231
   53    HA   GLN   8           HA       GLN   8  46.197  11.590 -11.696
   54   1HB   GLN   8           HB2      GLN   8  48.544  10.049 -12.783
   55   2HB   GLN   8           HB1      GLN   8  46.840   9.935 -13.218
   56   1HG   GLN   8           HG2      GLN   8  47.054  12.345 -14.071
   57   2HG   GLN   8           HG1      GLN   8  48.798  12.117 -13.938
   58   1HE2  GLN   8          1HE2      GLN   8  49.449   9.781 -14.975
   59   2HE2  GLN   8          2HE2      GLN   8  48.790   9.512 -16.516
   60    H    VAL   9           HN       VAL   9  49.474  10.426 -10.830
   61    HA   VAL   9           HA       VAL   9  48.756   8.269  -9.222
   62    HB   VAL   9           HB       VAL   9  50.981  10.286  -8.783
   63   1HG1  VAL   9          3HG1      VAL   9  50.421   7.597  -7.514
   64   2HG1  VAL   9          2HG1      VAL   9  52.028   8.323  -7.527
   65   3HG1  VAL   9          1HG1      VAL   9  50.698   9.138  -6.703
   66   1HG2  VAL   9          3HG2      VAL   9  50.912   8.984 -10.952
   67   2HG2  VAL   9          2HG2      VAL   9  52.353   8.696  -9.977
   68   3HG2  VAL   9          1HG2      VAL   9  51.050   7.509  -9.996
   69    H    ASP  10           HN       ASP  10  48.329  11.666  -8.565
   70    HA   ASP  10           HA       ASP  10  48.045  11.520  -5.720
   71   1HB   ASP  10           HB2      ASP  10  48.159  13.621  -7.224
   72   2HB   ASP  10           HB1      ASP  10  46.432  13.372  -7.486
   73    H    LYS  11           HN       LYS  11  45.403  11.898  -8.067
   74    HA   LYS  11           HA       LYS  11  43.180  11.282  -6.636
   75   1HB   LYS  11           HB2      LYS  11  43.918  10.207  -9.370
   76   2HB   LYS  11           HB1      LYS  11  42.336   9.921  -8.659
   77   1HG   LYS  11           HG2      LYS  11  41.780  11.889  -9.708
   78   2HG   LYS  11           HG1      LYS  11  42.521  12.636  -8.304
   79   1HD   LYS  11           HD2      LYS  11  43.677  13.731  -9.995
   80   2HD   LYS  11           HD1      LYS  11  44.754  12.362  -9.728
   81   1HE   LYS  11           HE2      LYS  11  44.267  12.765 -12.147
   82   2HE   LYS  11           HE1      LYS  11  43.766  11.161 -11.606
   83   1HZ   LYS  11           HZ2      LYS  11  41.786  13.276 -11.368
   84   2HZ   LYS  11           HZ1      LYS  11  42.187  12.816 -12.953
   85   3HZ   LYS  11           HZ3      LYS  11  41.599  11.660 -11.860
   86    H    LEU  12           HN       LEU  12  45.625   8.871  -7.528
   87    HA   LEU  12           HA       LEU  12  44.137   6.610  -6.566
   88   1HB   LEU  12           HB2      LEU  12  46.975   7.153  -7.325
   89   2HB   LEU  12           HB1      LEU  12  46.679   5.736  -6.330
   90    HG   LEU  12           HG       LEU  12  46.668   5.395  -8.878
   91   1HD1  LEU  12          1HD1      LEU  12  45.621   3.853  -7.095
   92   2HD1  LEU  12          3HD1      LEU  12  44.075   4.544  -7.584
   93   3HD1  LEU  12          2HD1      LEU  12  45.058   3.670  -8.753
   94   1HD2  LEU  12          2HD2      LEU  12  45.152   7.530  -9.113
   95   2HD2  LEU  12          1HD2      LEU  12  44.885   6.154 -10.177
   96   3HD2  LEU  12          3HD2      LEU  12  43.826   6.405  -8.789
   97    H    ILE  13           HN       ILE  13  46.586   8.713  -5.073
   98    HA   ILE  13           HA       ILE  13  46.776   7.401  -2.578
   99    HB   ILE  13           HB       ILE  13  46.849  10.371  -3.206
  100   1HG1  ILE  13          2HG1      ILE  13  49.101   8.411  -2.662
  101   2HG1  ILE  13          1HG1      ILE  13  48.566   8.853  -4.283
  102   1HG2  ILE  13          3HG2      ILE  13  47.539   8.826  -0.692
  103   2HG2  ILE  13          2HG2      ILE  13  48.130  10.457  -1.004
  104   3HG2  ILE  13          1HG2      ILE  13  46.400  10.163  -0.854
  105   1HD1  ILE  13          3HD1      ILE  13  48.958  11.292  -3.578
  106   2HD1  ILE  13          2HD1      ILE  13  49.813  10.635  -2.183
  107   3HD1  ILE  13          1HD1      ILE  13  50.397  10.302  -3.813
  108    H    GLN  14           HN       GLN  14  44.550  10.018  -3.560
  109    HA   GLN  14           HA       GLN  14  43.014  10.089  -1.182
  110   1HB   GLN  14           HB2      GLN  14  42.259  10.654  -4.063
  111   2HB   GLN  14           HB1      GLN  14  41.209  11.006  -2.695
  112   1HG   GLN  14           HG2      GLN  14  43.071  12.386  -1.710
  113   2HG   GLN  14           HG1      GLN  14  43.960  12.156  -3.216
  114   1HE2  GLN  14          1HE2      GLN  14  42.095  14.416  -1.727
  115   2HE2  GLN  14          2HE2      GLN  14  41.355  15.133  -3.076
  116    H    GLN  15           HN       GLN  15  42.578   8.147  -4.148
  117    HA   GLN  15           HA       GLN  15  40.207   6.800  -3.212
  118   1HB   GLN  15           HB2      GLN  15  42.246   6.202  -5.353
  119   2HB   GLN  15           HB1      GLN  15  40.936   5.082  -5.014
  120   1HG   GLN  15           HG2      GLN  15  40.476   8.014  -5.601
  121   2HG   GLN  15           HG1      GLN  15  40.476   6.776  -6.857
  122   1HE2  GLN  15          1HE2      GLN  15  39.344   5.189  -4.180
  123   2HE2  GLN  15          2HE2      GLN  15  37.677   5.440  -4.380
  124    H    ALA  16           HN       ALA  16  43.558   5.558  -3.569
  125    HA   ALA  16           HA       ALA  16  43.166   3.168  -2.118
  126   1HB   ALA  16           HB1      ALA  16  45.240   3.856  -3.428
  127   2HB   ALA  16           HB2      ALA  16  45.548   3.067  -1.881
  128   3HB   ALA  16           HB3      ALA  16  45.702   4.818  -2.023
  129    H    THR  17           HN       THR  17  44.013   6.424  -0.964
  130    HA   THR  17           HA       THR  17  44.398   5.778   1.780
  131    HB   THR  17           HB       THR  17  43.257   8.282   0.497
  132    HG1  THR  17           HG1      THR  17  45.737   8.204   1.714
  133   1HG2  THR  17          3HG2      THR  17  44.030   7.667   3.350
  134   2HG2  THR  17          2HG2      THR  17  43.988   9.315   2.724
  135   3HG2  THR  17          1HG2      THR  17  42.515   8.345   2.753
  136    H    SER  18           HN       SER  18  41.448   7.027   0.195
  137    HA   SER  18           HA       SER  18  39.631   6.836   2.263
  138   1HB   SER  18           HB2      SER  18  37.893   6.533   0.602
  139   2HB   SER  18           HB1      SER  18  39.126   7.586  -0.082
  140    HG   SER  18           HG       SER  18  38.217   5.372  -1.097
  141    H    ILE  19           HN       ILE  19  39.465   4.213  -0.136
  142    HA   ILE  19           HA       ILE  19  38.245   2.244   1.163
  143    HB   ILE  19           HB       ILE  19  40.645   2.228  -0.645
  144   1HG1  ILE  19          2HG1      ILE  19  39.016   1.053  -2.137
  145   2HG1  ILE  19          1HG1      ILE  19  37.804   1.182  -0.865
  146   1HG2  ILE  19          1HG2      ILE  19  39.525  -0.196   0.763
  147   2HG2  ILE  19          3HG2      ILE  19  40.312  -0.322  -0.808
  148   3HG2  ILE  19          2HG2      ILE  19  41.208   0.286   0.582
  149   1HD1  ILE  19          3HD1      ILE  19  39.245   3.568  -2.062
  150   2HD1  ILE  19          2HD1      ILE  19  37.666   2.999  -2.603
  151   3HD1  ILE  19          1HD1      ILE  19  37.865   3.599  -0.954
  152    H    GLU  20           HN       GLU  20  41.791   2.670   1.629
  153    HA   GLU  20           HA       GLU  20  42.255   0.633   3.443
  154   1HB   GLU  20           HB2      GLU  20  43.338   3.457   3.418
  155   2HB   GLU  20           HB1      GLU  20  43.934   2.230   4.534
  156   1HG   GLU  20           HG2      GLU  20  43.827   1.797   1.542
  157   2HG   GLU  20           HG1      GLU  20  45.242   2.463   2.358
  158    H    ARG  21           HN       ARG  21  41.362   3.950   4.498
  159    HA   ARG  21           HA       ARG  21  40.719   2.958   7.161
  160   1HB   ARG  21           HB2      ARG  21  40.337   5.700   5.938
  161   2HB   ARG  21           HB1      ARG  21  40.200   5.315   7.652
  162   1HG   ARG  21           HG2      ARG  21  42.737   4.614   6.176
  163   2HG   ARG  21           HG1      ARG  21  42.470   6.274   6.700
  164   1HD   ARG  21           HD2      ARG  21  42.429   3.825   8.491
  165   2HD   ARG  21           HD1      ARG  21  43.711   5.033   8.417
  166    HE   ARG  21           HE       ARG  21  41.143   5.342   9.774
  167   1HH1  ARG  21          1HH1      ARG  21  43.937   6.420  10.518
  168   2HH1  ARG  21          2HH1      ARG  21  43.675   8.123  10.338
  169   1HH2  ARG  21          1HH2      ARG  21  40.732   7.747   8.540
  170   2HH2  ARG  21          2HH2      ARG  21  41.859   8.875   9.216
  171    H    LEU  22           HN       LEU  22  38.923   3.393   4.229
  172    HA   LEU  22           HA       LEU  22  36.350   3.702   5.659
  173   1HB   LEU  22           HB2      LEU  22  37.256   3.819   2.804
  174   2HB   LEU  22           HB1      LEU  22  35.585   3.333   3.094
  175    HG   LEU  22           HG       LEU  22  35.226   5.369   4.435
  176   1HD1  LEU  22          2HD1      LEU  22  38.106   5.893   3.722
  177   2HD1  LEU  22          1HD1      LEU  22  37.022   7.153   4.301
  178   3HD1  LEU  22          3HD1      LEU  22  37.401   5.773   5.331
  179   1HD2  LEU  22          3HD2      LEU  22  35.660   5.281   1.586
  180   2HD2  LEU  22          2HD2      LEU  22  34.564   6.309   2.503
  181   3HD2  LEU  22          1HD2      LEU  22  36.203   6.853   2.177
  182    H    CYS  23           HN       CYS  23  38.005   1.302   3.633
  183    HA   CYS  23           HA       CYS  23  35.860  -0.626   3.902
  184   1HB   CYS  23           HB2      CYS  23  38.687  -0.849   2.860
  185   2HB   CYS  23           HB1      CYS  23  37.519  -2.157   2.795
  186    H    GLN  24           HN       GLN  24  38.493   0.210   5.977
  187    HA   GLN  24           HA       GLN  24  38.741  -2.469   7.127
  188   1HB   GLN  24           HB2      GLN  24  39.824   0.268   7.785
  189   2HB   GLN  24           HB1      GLN  24  39.962  -1.037   8.961
  190   1HG   GLN  24           HG2      GLN  24  40.872  -1.338   6.092
  191   2HG   GLN  24           HG1      GLN  24  41.943  -0.766   7.372
  192   1HE2  GLN  24          1HE2      GLN  24  42.293  -3.295   5.928
  193   2HE2  GLN  24          2HE2      GLN  24  42.140  -4.542   7.069
  194    H    HIS  25           HN       HIS  25  36.633   0.229   7.492
  195    HA   HIS  25           HA       HIS  25  35.835  -0.441  10.238
  196   1HB   HIS  25           HB2      HIS  25  34.534   1.429   8.237
  197   2HB   HIS  25           HB1      HIS  25  34.195   1.354   9.966
  198    HD1  HIS  25           HD1      HIS  25  35.186   4.007   8.945
  199    HD2  HIS  25           HD2      HIS  25  37.794   1.002  10.189
  200    HE1  HIS  25           HE1      HIS  25  37.365   5.151   9.539
  201    H    TYR  26           HN       TYR  26  34.713  -1.118   6.964
  202    HA   TYR  26           HA       TYR  26  32.234  -2.370   8.003
  203   1HB   TYR  26           HB2      TYR  26  33.186  -2.121   5.140
  204   2HB   TYR  26           HB1      TYR  26  31.559  -2.470   5.704
  205    HD1  TYR  26           HD1      TYR  26  30.555  -0.685   7.402
  206    HD2  TYR  26           HD2      TYR  26  33.695   0.100   4.577
  207    HE1  TYR  26           HE1      TYR  26  30.053   1.740   7.518
  208    HE2  TYR  26           HE2      TYR  26  33.193   2.525   4.694
  209    HH   TYR  26           HH       TYR  26  32.027   4.111   5.745
  210    H    ILE  27           HN       ILE  27  31.915  -4.381   6.126
  211    HA   ILE  27           HA       ILE  27  33.859  -6.399   7.101
  212    HB   ILE  27           HB       ILE  27  31.249  -6.599   5.563
  213   1HG1  ILE  27          2HG1      ILE  27  30.519  -7.771   7.643
  214   2HG1  ILE  27          1HG1      ILE  27  32.092  -7.425   8.360
  215   1HG2  ILE  27          1HG2      ILE  27  33.256  -8.727   6.326
  216   2HG2  ILE  27          3HG2      ILE  27  31.559  -9.104   6.035
  217   3HG2  ILE  27          2HG2      ILE  27  32.543  -8.420   4.742
  218   1HD1  ILE  27          3HD1      ILE  27  30.484  -5.148   7.233
  219   2HD1  ILE  27          2HD1      ILE  27  30.044  -5.815   8.804
  220   3HD1  ILE  27          1HD1      ILE  27  31.655  -5.148   8.554
  221    H    GLY  28           HN       GLY  28  34.684  -8.000   5.414
  222   1HA   GLY  28           HA1      GLY  28  35.636  -8.509   3.305
  223   2HA   GLY  28           HA2      GLY  28  36.359  -6.917   3.530
  224    H    TRP  29           HN       TRP  29  32.945  -7.789   2.944
  225    HA   TRP  29           HA       TRP  29  32.947  -6.992   0.180
  226   1HB   TRP  29           HB2      TRP  29  31.177  -8.424   0.864
  227   2HB   TRP  29           HB1      TRP  29  30.783  -7.413   2.251
  228    HD1  TRP  29           HD1      TRP  29  30.828  -7.036  -1.617
  229    HE1  TRP  29           HE1      TRP  29  28.792  -5.594  -2.286
  230    HE3  TRP  29           HE3      TRP  29  28.904  -6.020   3.002
  231    HZ2  TRP  29           HZ2      TRP  29  26.637  -4.201  -1.028
  232    HZ3  TRP  29           HZ3      TRP  29  26.863  -4.635   3.240
  233    HH2  TRP  29           HH2      TRP  29  25.728  -3.725   1.232
  234    H    CYS  30           HN       CYS  30  34.324  -4.981   1.038
  235    HA   CYS  30           HA       CYS  30  32.774  -2.750   2.064
  236   1HB   CYS  30           HB2      CYS  30  35.092  -2.824   2.622
  237   2HB   CYS  30           HB1      CYS  30  35.559  -3.021   0.933
  238    HA   PRO  31           HA       PRO  31  31.481  -1.826  -2.226
  239   1HB   PRO  31           HB2      PRO  31  29.517  -0.006  -1.659
  240   2HB   PRO  31           HB1      PRO  31  29.292  -1.754  -1.471
  241   1HG   PRO  31           HG2      PRO  31  29.802   0.315   0.602
  242   2HG   PRO  31           HG1      PRO  31  28.803  -1.145   0.687
  243   1HD   PRO  31           HD2      PRO  31  31.381  -0.907   1.750
  244   2HD   PRO  31           HD1      PRO  31  30.569  -2.443   1.384
  245    H    PHE  32           HN       PHE  32  33.834  -0.696  -1.967
  246    HA   PHE  32           HA       PHE  32  33.409   2.192  -2.625
  247   1HB   PHE  32           HB2      PHE  32  35.256   1.031  -0.546
  248   2HB   PHE  32           HB1      PHE  32  35.736   2.491  -1.402
  249    HD1  PHE  32           HD1      PHE  32  33.055   1.010   0.718
  250    HD2  PHE  32           HD2      PHE  32  34.771   4.601  -0.895
  251    HE1  PHE  32           HE1      PHE  32  31.611   2.368   2.206
  252    HE2  PHE  32           HE2      PHE  32  33.325   5.960   0.590
  253    HZ   PHE  32           HZ       PHE  32  31.743   4.843   2.142
  254    H    TRP  33           HN       TRP  33  35.283  -0.764  -2.983
  255    HA   TRP  33           HA       TRP  33  37.397   0.202  -4.594
  256   1HB   TRP  33           HB2      TRP  33  35.915  -2.432  -4.575
  257   2HB   TRP  33           HB1      TRP  33  37.304  -2.145  -5.622
  258    HD1  TRP  33           HD1      TRP  33  39.396  -0.828  -3.983
  259    HE1  TRP  33           HE1      TRP  33  40.375  -1.828  -1.827
  260    HE3  TRP  33           HE3      TRP  33  35.650  -4.071  -2.740
  261    HZ2  TRP  33           HZ2      TRP  33  39.671  -3.768   0.164
  262    HZ3  TRP  33           HZ3      TRP  33  35.832  -5.485  -0.712
  263    HH2  TRP  33           HH2      TRP  33  37.837  -5.337   0.739

  No H/Q in entry =         263
  Start of MODEL    9
    1    H1   ASN   1           HT3      ASN   1  12.695  29.856  -9.524
    2    H2   ASN   1           HT2      ASN   1  11.460  28.934  -8.809
    3    H3   ASN   1           HT1      ASN   1  11.707  28.872 -10.489
    4    HA   ASN   1           HA       ASN   1  10.445  30.646 -10.856
    5   1HB   ASN   1           HB2      ASN   1   9.169  29.433  -9.047
    6   2HB   ASN   1           HB1      ASN   1   9.891  30.538  -7.877
    7   1HD2  ASN   1          1HD2      ASN   1   7.441  31.090  -7.599
    8   2HD2  ASN   1          2HD2      ASN   1   6.817  32.302  -8.610
    9    H    GLU   2           HN       GLU   2  12.595  31.851 -11.129
   10    HA   GLU   2           HA       GLU   2  13.898  33.766 -10.779
   11   1HB   GLU   2           HB2      GLU   2  11.670  34.815 -11.105
   12   2HB   GLU   2           HB1      GLU   2  11.393  34.716  -9.369
   13   1HG   GLU   2           HG2      GLU   2  13.301  36.162  -8.931
   14   2HG   GLU   2           HG1      GLU   2  13.721  36.177 -10.643
   15    H    LEU   3           HN       LEU   3  12.076  34.218  -7.772
   16    HA   LEU   3           HA       LEU   3  14.346  34.636  -6.161
   17   1HB   LEU   3           HB2      LEU   3  11.752  33.326  -5.267
   18   2HB   LEU   3           HB1      LEU   3  12.937  34.080  -4.218
   19    HG   LEU   3           HG       LEU   3  11.243  35.708  -4.448
   20   1HD1  LEU   3          2HD1      LEU   3  13.641  36.469  -4.935
   21   2HD1  LEU   3          1HD1      LEU   3  13.142  36.564  -6.627
   22   3HD1  LEU   3          3HD1      LEU   3  12.342  37.560  -5.412
   23   1HD2  LEU   3          1HD2      LEU   3  10.453  34.449  -6.747
   24   2HD2  LEU   3          3HD2      LEU   3   9.887  36.039  -6.251
   25   3HD2  LEU   3          2HD2      LEU   3  11.196  35.900  -7.415
   26    H    ASP   4           HN       ASP   4  15.135  33.122  -4.386
   27    HA   ASP   4           HA       ASP   4  14.919  30.250  -4.950
   28   1HB   ASP   4           HB2      ASP   4  17.559  31.702  -5.317
   29   2HB   ASP   4           HB1      ASP   4  17.346  29.951  -5.338
   30    H    VAL   5           HN       VAL   5  14.075  31.047  -2.658
   31    HA   VAL   5           HA       VAL   5  16.327  30.736  -0.710
   32    HB   VAL   5           HB       VAL   5  14.519  32.026   0.797
   33   1HG1  VAL   5          1HG1      VAL   5  16.442  33.258  -1.186
   34   2HG1  VAL   5          3HG1      VAL   5  15.617  34.198   0.058
   35   3HG1  VAL   5          2HG1      VAL   5  16.727  32.907   0.518
   36   1HG2  VAL   5          1HG2      VAL   5  12.950  32.040  -1.242
   37   2HG2  VAL   5          3HG2      VAL   5  13.173  33.574  -0.401
   38   3HG2  VAL   5          2HG2      VAL   5  14.026  33.264  -1.914
   39    HA   PRO   6           HA       PRO   6  14.004  27.217   0.690
   40   1HB   PRO   6           HB2      PRO   6  14.771  27.056   3.322
   41   2HB   PRO   6           HB1      PRO   6  15.846  26.639   1.972
   42   1HG   PRO   6           HG2      PRO   6  15.726  29.153   3.579
   43   2HG   PRO   6           HG1      PRO   6  17.140  28.255   2.997
   44   1HD   PRO   6           HD2      PRO   6  16.203  30.512   1.753
   45   2HD   PRO   6           HD1      PRO   6  17.041  29.207   0.883
   46    H    GLU   7           HN       GLU   7  12.593  29.863   0.836
   47    HA   GLU   7           HA       GLU   7  11.230  30.117   3.338
   48   1HB   GLU   7           HB2      GLU   7   9.484  31.324   1.967
   49   2HB   GLU   7           HB1      GLU   7  11.124  31.935   1.742
   50   1HG   GLU   7           HG2      GLU   7  11.362  30.605  -0.305
   51   2HG   GLU   7           HG1      GLU   7   9.746  29.937  -0.076
   52    H    GLN   8           HN       GLN   8  10.797  28.096   0.559
   53    HA   GLN   8           HA       GLN   8   8.169  27.107   1.315
   54   1HB   GLN   8           HB2      GLN   8  10.066  25.622  -0.486
   55   2HB   GLN   8           HB1      GLN   8   8.313  25.734  -0.576
   56   1HG   GLN   8           HG2      GLN   8   8.557  28.178  -1.101
   57   2HG   GLN   8           HG1      GLN   8  10.302  27.932  -1.186
   58   1HE2  GLN   8          1HE2      GLN   8  10.280  25.334  -2.458
   59   2HE2  GLN   8          2HE2      GLN   8   9.687  25.534  -4.036
   60    H    VAL   9           HN       VAL   9  11.361  25.501   1.209
   61    HA   VAL   9           HA       VAL   9  10.722  23.157   2.565
   62    HB   VAL   9           HB       VAL   9  13.243  24.838   2.697
   63   1HG1  VAL   9          1HG1      VAL   9  12.647  22.076   3.773
   64   2HG1  VAL   9          3HG1      VAL   9  14.287  22.605   3.395
   65   3HG1  VAL   9          2HG1      VAL   9  13.351  23.449   4.628
   66   1HG2  VAL   9          2HG2      VAL   9  12.388  22.412   1.093
   67   2HG2  VAL   9          1HG2      VAL   9  12.753  24.023   0.474
   68   3HG2  VAL   9          3HG2      VAL   9  14.043  23.020   1.137
   69    H    ASP  10           HN       ASP  10  10.641  26.353   3.823
   70    HA   ASP  10           HA       ASP  10  11.119  25.653   6.601
   71   1HB   ASP  10           HB2      ASP  10   9.820  28.045   5.282
   72   2HB   ASP  10           HB1      ASP  10   9.964  27.889   7.031
   73    H    LYS  11           HN       LYS  11   8.100  26.635   4.944
   74    HA   LYS  11           HA       LYS  11   6.205  26.083   6.839
   75   1HB   LYS  11           HB2      LYS  11   6.133  25.392   3.891
   76   2HB   LYS  11           HB1      LYS  11   4.734  25.165   4.932
   77   1HG   LYS  11           HG2      LYS  11   4.237  27.323   4.313
   78   2HG   LYS  11           HG1      LYS  11   5.372  27.752   5.579
   79   1HD   LYS  11           HD2      LYS  11   6.253  28.978   3.810
   80   2HD   LYS  11           HD1      LYS  11   7.166  27.481   3.639
   81   1HE   LYS  11           HE2      LYS  11   6.206  28.296   1.473
   82   2HE   LYS  11           HE1      LYS  11   5.635  26.687   1.915
   83   1HZ   LYS  11           HZ2      LYS  11   3.951  28.641   3.051
   84   2HZ   LYS  11           HZ1      LYS  11   4.118  28.956   1.389
   85   3HZ   LYS  11           HZ3      LYS  11   3.566  27.439   1.912
   86    H    LEU  12           HN       LEU  12   8.059  23.630   5.097
   87    HA   LEU  12           HA       LEU  12   6.532  21.387   6.011
   88   1HB   LEU  12           HB2      LEU  12   9.264  21.794   4.878
   89   2HB   LEU  12           HB1      LEU  12   8.987  20.286   5.735
   90    HG   LEU  12           HG       LEU  12   8.549  20.285   3.199
   91   1HD1  LEU  12          3HD1      LEU  12   7.645  18.611   4.950
   92   2HD1  LEU  12          2HD1      LEU  12   6.116  19.472   4.795
   93   3HD1  LEU  12          1HD1      LEU  12   6.825  18.679   3.393
   94   1HD2  LEU  12          3HD2      LEU  12   7.210  22.543   3.489
   95   2HD2  LEU  12          2HD2      LEU  12   6.682  21.352   2.306
   96   3HD2  LEU  12          1HD2      LEU  12   5.855  21.469   3.858
   97    H    ILE  13           HN       ILE  13   9.519  22.860   7.287
   98    HA   ILE  13           HA       ILE  13   9.809  21.283   9.596
   99    HB   ILE  13           HB       ILE  13  10.285  24.258   9.224
  100   1HG1  ILE  13          2HG1      ILE  13  12.261  21.964   9.337
  101   2HG1  ILE  13          1HG1      ILE  13  11.577  22.566   7.827
  102   1HG2  ILE  13          3HG2      ILE  13  10.964  22.396  11.509
  103   2HG2  ILE  13          2HG2      ILE  13  11.846  23.897  11.224
  104   3HG2  ILE  13          1HG2      ILE  13  10.119  23.943  11.582
  105   1HD1  ILE  13          3HD1      ILE  13  12.431  24.839   8.381
  106   2HD1  ILE  13          2HD1      ILE  13  13.187  24.175   9.830
  107   3HD1  ILE  13          1HD1      ILE  13  13.727  23.652   8.233
  108    H    GLN  14           HN       GLN  14   7.843  24.220   9.147
  109    HA   GLN  14           HA       GLN  14   6.686  24.273  11.745
  110   1HB   GLN  14           HB2      GLN  14   5.758  25.270   9.047
  111   2HB   GLN  14           HB1      GLN  14   4.799  25.507  10.505
  112   1HG   GLN  14           HG2      GLN  14   6.712  26.645  11.580
  113   2HG   GLN  14           HG1      GLN  14   7.663  26.423  10.111
  114   1HE2  GLN  14          1HE2      GLN  14   4.307  27.591  10.811
  115   2HE2  GLN  14          2HE2      GLN  14   4.440  28.982   9.848
  116    H    GLN  15           HN       GLN  15   5.494  22.810   8.706
  117    HA   GLN  15           HA       GLN  15   3.119  21.675   9.819
  118   1HB   GLN  15           HB2      GLN  15   4.831  20.903   7.453
  119   2HB   GLN  15           HB1      GLN  15   3.367  20.021   7.861
  120   1HG   GLN  15           HG2      GLN  15   2.126  22.224   7.784
  121   2HG   GLN  15           HG1      GLN  15   3.596  22.952   7.137
  122   1HE2  GLN  15          1HE2      GLN  15   0.882  20.857   6.376
  123   2HE2  GLN  15          2HE2      GLN  15   1.257  20.651   4.733
  124    H    ALA  16           HN       ALA  16   6.205  20.001   9.048
  125    HA   ALA  16           HA       ALA  16   5.570  17.595  10.406
  126   1HB   ALA  16           HB3      ALA  16   7.967  17.150  10.414
  127   2HB   ALA  16           HB2      ALA  16   7.520  17.893   8.877
  128   3HB   ALA  16           HB1      ALA  16   8.313  18.856  10.124
  129    H    THR  17           HN       THR  17   6.863  20.648  11.582
  130    HA   THR  17           HA       THR  17   7.487  19.701  14.254
  131    HB   THR  17           HB       THR  17   6.852  22.472  13.195
  132    HG1  THR  17           HG1      THR  17   9.318  21.878  14.226
  133   1HG2  THR  17          2HG2      THR  17   7.645  21.535  15.953
  134   2HG2  THR  17          1HG2      THR  17   7.912  23.191  15.410
  135   3HG2  THR  17          3HG2      THR  17   6.271  22.546  15.503
  136    H    SER  18           HN       SER  18   4.762  21.529  12.880
  137    HA   SER  18           HA       SER  18   3.074  21.705  15.062
  138   1HB   SER  18           HB2      SER  18   1.267  21.882  13.513
  139   2HB   SER  18           HB1      SER  18   2.679  22.483  12.656
  140    HG   SER  18           HG       SER  18   1.116  20.663  11.803
  141    H    ILE  19           HN       ILE  19   2.443  19.049  12.694
  142    HA   ILE  19           HA       ILE  19   0.934  17.394  14.202
  143    HB   ILE  19           HB       ILE  19   3.067  16.931  12.129
  144   1HG1  ILE  19          2HG1      ILE  19   1.071  16.028  10.896
  145   2HG1  ILE  19          1HG1      ILE  19   0.083  16.437  12.294
  146   1HG2  ILE  19          3HG2      ILE  19   1.623  14.734  13.630
  147   2HG2  ILE  19          2HG2      ILE  19   2.348  14.502  12.045
  148   3HG2  ILE  19          1HG2      ILE  19   3.362  14.922  13.423
  149   1HD1  ILE  19          2HD1      ILE  19   1.775  18.453  10.800
  150   2HD1  ILE  19          1HD1      ILE  19   0.058  18.178  10.490
  151   3HD1  ILE  19          3HD1      ILE  19   0.584  18.779  12.065
  152    H    GLU  20           HN       GLU  20   4.533  17.349  14.379
  153    HA   GLU  20           HA       GLU  20   4.820  15.214  16.142
  154   1HB   GLU  20           HB2      GLU  20   6.352  17.800  15.888
  155   2HB   GLU  20           HB1      GLU  20   6.797  16.616  17.115
  156   1HG   GLU  20           HG2      GLU  20   7.097  14.901  15.404
  157   2HG   GLU  20           HG1      GLU  20   6.558  16.019  14.153
  158    H    ARG  21           HN       ARG  21   4.478  18.628  17.230
  159    HA   ARG  21           HA       ARG  21   3.992  17.753  19.959
  160   1HB   ARG  21           HB2      ARG  21   3.601  20.497  18.740
  161   2HB   ARG  21           HB1      ARG  21   3.739  20.122  20.457
  162   1HG   ARG  21           HG2      ARG  21   5.898  19.581  18.395
  163   2HG   ARG  21           HG1      ARG  21   5.876  20.973  19.477
  164   1HD   ARG  21           HD2      ARG  21   7.177  19.568  20.771
  165   2HD   ARG  21           HD1      ARG  21   5.600  19.006  21.318
  166    HE   ARG  21           HE       ARG  21   5.836  17.056  19.882
  167   1HH1  ARG  21          1HH1      ARG  21   7.705  18.684  17.955
  168   2HH1  ARG  21          2HH1      ARG  21   9.167  17.774  18.137
  169   1HH2  ARG  21          1HH2      ARG  21   8.086  16.096  20.972
  170   2HH2  ARG  21          2HH2      ARG  21   9.383  16.309  19.844
  171    H    LEU  22           HN       LEU  22   1.994  18.473  17.204
  172    HA   LEU  22           HA       LEU  22  -0.429  18.908  18.811
  173   1HB   LEU  22           HB2      LEU  22   0.293  18.919  15.901
  174   2HB   LEU  22           HB1      LEU  22  -1.401  18.678  16.324
  175    HG   LEU  22           HG       LEU  22  -1.407  20.771  17.604
  176   1HD1  LEU  22          1HD1      LEU  22   0.969  20.723  18.331
  177   2HD1  LEU  22          3HD1      LEU  22   1.461  21.059  16.672
  178   3HD1  LEU  22          2HD1      LEU  22   0.546  22.257  17.579
  179   1HD2  LEU  22          3HD2      LEU  22  -0.370  20.860  14.770
  180   2HD2  LEU  22          2HD2      LEU  22  -2.020  21.087  15.335
  181   3HD2  LEU  22          1HD2      LEU  22  -0.812  22.334  15.629
  182    H    CYS  23           HN       CYS  23   0.982  16.277  16.921
  183    HA   CYS  23           HA       CYS  23  -1.428  14.603  17.372
  184   1HB   CYS  23           HB2      CYS  23   1.095  14.143  15.791
  185   2HB   CYS  23           HB1      CYS  23  -0.210  12.979  15.921
  186    H    GLN  24           HN       GLN  24   1.695  15.052  18.842
  187    HA   GLN  24           HA       GLN  24   1.932  12.319  19.805
  188   1HB   GLN  24           HB2      GLN  24   3.292  14.934  20.455
  189   2HB   GLN  24           HB1      GLN  24   3.589  13.499  21.429
  190   1HG   GLN  24           HG2      GLN  24   4.447  12.282  19.561
  191   2HG   GLN  24           HG1      GLN  24   3.875  13.500  18.420
  192   1HE2  GLN  24          1HE2      GLN  24   6.709  12.526  19.020
  193   2HE2  GLN  24          2HE2      GLN  24   7.576  13.941  19.375
  194    H    HIS  25           HN       HIS  25   0.088  15.064  20.728
  195    HA   HIS  25           HA       HIS  25  -0.156  14.322  23.545
  196   1HB   HIS  25           HB2      HIS  25  -1.677  16.278  21.802
  197   2HB   HIS  25           HB1      HIS  25  -1.982  16.061  23.526
  198    HD1  HIS  25           HD1      HIS  25  -1.160  18.678  23.563
  199    HD2  HIS  25           HD2      HIS  25   1.766  15.810  22.795
  200    HE1  HIS  25           HE1      HIS  25   1.069  19.801  23.983
  201    H    TYR  26           HN       TYR  26  -2.070  13.898  20.595
  202    HA   TYR  26           HA       TYR  26  -4.120  12.376  22.116
  203   1HB   TYR  26           HB2      TYR  26  -4.219  13.062  19.183
  204   2HB   TYR  26           HB1      TYR  26  -5.545  12.763  20.297
  205    HD1  TYR  26           HD1      TYR  26  -3.452  15.257  18.806
  206    HD2  TYR  26           HD2      TYR  26  -5.880  14.414  22.250
  207    HE1  TYR  26           HE1      TYR  26  -3.598  17.685  19.301
  208    HE2  TYR  26           HE2      TYR  26  -6.025  16.840  22.742
  209    HH   TYR  26           HH       TYR  26  -4.010  19.111  21.410
  210    H    ILE  27           HN       ILE  27  -4.864  11.115  19.610
  211    HA   ILE  27           HA       ILE  27  -3.092   8.729  19.782
  212    HB   ILE  27           HB       ILE  27  -5.776   9.162  18.433
  213   1HG1  ILE  27          2HG1      ILE  27  -6.520   7.538  20.183
  214   2HG1  ILE  27          1HG1      ILE  27  -4.899   7.577  20.871
  215   1HG2  ILE  27          3HG2      ILE  27  -3.927   6.770  18.525
  216   2HG2  ILE  27          2HG2      ILE  27  -5.657   6.610  18.219
  217   3HG2  ILE  27          1HG2      ILE  27  -4.648   7.531  17.107
  218   1HD1  ILE  27          1HD1      ILE  27  -6.324  10.188  20.467
  219   2HD1  ILE  27          3HD1      ILE  27  -6.818   9.157  21.810
  220   3HD1  ILE  27          2HD1      ILE  27  -5.154   9.725  21.704
  221    H    GLY  28           HN       GLY  28  -2.026   7.865  17.942
  222   1HA   GLY  28           HA1      GLY  28  -1.187   7.831  15.715
  223   2HA   GLY  28           HA2      GLY  28  -0.630   9.426  16.215
  224    H    TRP  29           HN       TRP  29  -4.032   8.661  15.858
  225    HA   TRP  29           HA       TRP  29  -4.192   9.878  13.183
  226   1HB   TRP  29           HB2      TRP  29  -5.657   7.967  13.820
  227   2HB   TRP  29           HB1      TRP  29  -6.395   8.974  15.066
  228    HD1  TRP  29           HD1      TRP  29  -5.799   9.096  11.245
  229    HE1  TRP  29           HE1      TRP  29  -7.816  10.262  10.155
  230    HE3  TRP  29           HE3      TRP  29  -8.478  10.286  15.422
  231    HZ2  TRP  29           HZ2      TRP  29 -10.261  11.535  10.955
  232    HZ3  TRP  29           HZ3      TRP  29 -10.645  11.472  15.233
  233    HH2  TRP  29           HH2      TRP  29 -11.540  12.098  13.007
  234    H    CYS  30           HN       CYS  30  -4.341  12.056  12.951
  235    HA   CYS  30           HA       CYS  30  -5.868  13.620  14.961
  236   1HB   CYS  30           HB2      CYS  30  -3.851  15.370  14.646
  237   2HB   CYS  30           HB1      CYS  30  -3.807  14.131  15.897
  238    HA   PRO  31           HA       PRO  31  -7.348  15.559  11.254
  239   1HB   PRO  31           HB2      PRO  31  -8.158  18.004  12.201
  240   2HB   PRO  31           HB1      PRO  31  -9.027  16.496  12.547
  241   1HG   PRO  31           HG2      PRO  31  -7.087  17.990  14.258
  242   2HG   PRO  31           HG1      PRO  31  -8.614  17.207  14.708
  243   1HD   PRO  31           HD2      PRO  31  -6.180  16.043  15.158
  244   2HD   PRO  31           HD1      PRO  31  -7.651  15.097  14.835
  245    H    PHE  32           HN       PHE  32  -4.412  16.199  12.349
  246    HA   PHE  32           HA       PHE  32  -3.978  18.715  10.782
  247   1HB   PHE  32           HB2      PHE  32  -2.170  17.258  12.736
  248   2HB   PHE  32           HB1      PHE  32  -1.749  18.740  11.879
  249    HD1  PHE  32           HD1      PHE  32  -2.980  17.521  14.916
  250    HD2  PHE  32           HD2      PHE  32  -3.685  20.641  12.047
  251    HE1  PHE  32           HE1      PHE  32  -4.108  18.871  16.660
  252    HE2  PHE  32           HE2      PHE  32  -4.821  21.986  13.793
  253    HZ   PHE  32           HZ       PHE  32  -5.036  21.101  16.097
  254    H    TRP  33           HN       TRP  33  -3.762  15.362  10.509
  255    HA   TRP  33           HA       TRP  33  -1.390  15.247   8.812
  256   1HB   TRP  33           HB2      TRP  33  -3.577  13.349   9.618
  257   2HB   TRP  33           HB1      TRP  33  -2.577  12.931   8.228
  258    HD1  TRP  33           HD1      TRP  33  -1.059  14.867  11.091
  259    HE1  TRP  33           HE1      TRP  33   0.659  13.395  12.309
  260    HE3  TRP  33           HE3      TRP  33  -2.020  10.397   8.842
  261    HZ2  TRP  33           HZ2      TRP  33   1.499  10.648  12.345
  262    HZ3  TRP  33           HZ3      TRP  33  -0.752   8.365   9.485
  263    HH2  TRP  33           HH2      TRP  33   1.004   8.485  11.232

  No H/Q in entry =         263
  Start of MODEL   10
    1    H1   ASN   1           HT3      ASN   1  22.387  -7.270   4.979
    2    H2   ASN   1           HT2      ASN   1  21.798  -6.757   3.470
    3    H3   ASN   1           HT1      ASN   1  20.837  -6.591   4.861
    4    HA   ASN   1           HA       ASN   1  20.598  -8.946   5.076
    5   1HB   ASN   1           HB2      ASN   1  20.135  -7.867   2.283
    6   2HB   ASN   1           HB1      ASN   1  19.518  -9.428   2.827
    7   1HD2  ASN   1          1HD2      ASN   1  17.481  -9.363   3.787
    8   2HD2  ASN   1          2HD2      ASN   1  16.764  -7.975   4.452
    9    H    GLU   2           HN       GLU   2  23.298  -7.944   3.300
   10    HA   GLU   2           HA       GLU   2  23.874 -10.360   1.847
   11   1HB   GLU   2           HB2      GLU   2  25.744  -8.212   2.896
   12   2HB   GLU   2           HB1      GLU   2  26.188  -9.460   1.733
   13   1HG   GLU   2           HG2      GLU   2  23.924  -7.494   1.299
   14   2HG   GLU   2           HG1      GLU   2  25.561  -7.252   0.687
   15    H    LEU   3           HN       LEU   3  26.555  -9.692   3.800
   16    HA   LEU   3           HA       LEU   3  27.699 -11.109   5.292
   17   1HB   LEU   3           HB2      LEU   3  24.988 -11.370   6.620
   18   2HB   LEU   3           HB1      LEU   3  26.569 -11.472   7.376
   19    HG   LEU   3           HG       LEU   3  25.824  -9.312   7.945
   20   1HD1  LEU   3          2HD1      LEU   3  28.125  -9.437   6.879
   21   2HD1  LEU   3          1HD1      LEU   3  27.391  -8.785   5.414
   22   3HD1  LEU   3          3HD1      LEU   3  27.384  -7.838   6.901
   23   1HD2  LEU   3          2HD2      LEU   3  23.994  -9.437   5.997
   24   2HD2  LEU   3          1HD2      LEU   3  24.508  -7.897   6.671
   25   3HD2  LEU   3          3HD2      LEU   3  25.175  -8.451   5.142
   26    H    ASP   4           HN       ASP   4  28.010 -12.845   3.743
   27    HA   ASP   4           HA       ASP   4  26.011 -15.025   3.710
   28   1HB   ASP   4           HB2      ASP   4  28.734 -15.000   2.389
   29   2HB   ASP   4           HB1      ASP   4  27.334 -15.987   1.965
   30    H    VAL   5           HN       VAL   5  27.118 -14.600   6.268
   31    HA   VAL   5           HA       VAL   5  28.927 -16.966   6.614
   32    HB   VAL   5           HB       VAL   5  29.253 -15.699   8.941
   33   1HG1  VAL   5          3HG1      VAL   5  30.511 -14.758   6.349
   34   2HG1  VAL   5          2HG1      VAL   5  31.172 -14.489   7.962
   35   3HG1  VAL   5          1HG1      VAL   5  31.051 -16.128   7.321
   36   1HG2  VAL   5          1HG2      VAL   5  27.472 -13.996   8.174
   37   2HG2  VAL   5          3HG2      VAL   5  28.963 -13.348   8.856
   38   3HG2  VAL   5          2HG2      VAL   5  28.722 -13.357   7.109
   39    HA   PRO   6           HA       PRO   6  25.566 -18.826   8.863
   40   1HB   PRO   6           HB2      PRO   6  26.906 -20.469  10.606
   41   2HB   PRO   6           HB1      PRO   6  26.789 -20.797   8.865
   42   1HG   PRO   6           HG2      PRO   6  29.043 -19.589  10.407
   43   2HG   PRO   6           HG1      PRO   6  29.089 -20.771   9.086
   44   1HD   PRO   6           HD2      PRO   6  29.601 -18.101   8.707
   45   2HD   PRO   6           HD1      PRO   6  28.903 -19.140   7.443
   46    H    GLU   7           HN       GLU   7  26.682 -16.217   9.913
   47    HA   GLU   7           HA       GLU   7  26.932 -16.305  12.747
   48   1HB   GLU   7           HB2      GLU   7  26.231 -13.899  12.657
   49   2HB   GLU   7           HB1      GLU   7  27.514 -14.285  11.509
   50   1HG   GLU   7           HG2      GLU   7  25.820 -14.547   9.720
   51   2HG   GLU   7           HG1      GLU   7  24.556 -14.111  10.870
   52    H    GLN   8           HN       GLN   8  24.212 -16.553  10.628
   53    HA   GLN   8           HA       GLN   8  22.187 -15.964  12.627
   54   1HB   GLN   8           HB2      GLN   8  21.669 -17.626  10.170
   55   2HB   GLN   8           HB1      GLN   8  20.636 -16.426  10.942
   56   1HG   GLN   8           HG2      GLN   8  22.366 -14.682  10.289
   57   2HG   GLN   8           HG1      GLN   8  23.119 -15.929   9.294
   58   1HE2  GLN   8          1HE2      GLN   8  21.421 -17.093   7.764
   59   2HE2  GLN   8          2HE2      GLN   8  20.298 -16.070   7.006
   60    H    VAL   9           HN       VAL   9  23.118 -19.005  10.989
   61    HA   VAL   9           HA       VAL   9  21.664 -20.831  12.479
   62    HB   VAL   9           HB       VAL   9  24.495 -21.013  11.413
   63   1HG1  VAL   9          2HG1      VAL   9  22.780 -23.116  12.742
   64   2HG1  VAL   9          1HG1      VAL   9  24.064 -23.537  11.606
   65   3HG1  VAL   9          3HG1      VAL   9  24.453 -22.685  13.100
   66   1HG2  VAL   9          2HG2      VAL   9  21.800 -22.027  10.463
   67   2HG2  VAL   9          1HG2      VAL   9  22.775 -20.762   9.715
   68   3HG2  VAL   9          3HG2      VAL   9  23.336 -22.434   9.699
   69    H    ASP  10           HN       ASP  10  24.335 -18.877  13.554
   70    HA   ASP  10           HA       ASP  10  25.093 -20.413  15.855
   71   1HB   ASP  10           HB2      ASP  10  25.153 -17.393  15.556
   72   2HB   ASP  10           HB1      ASP  10  26.125 -18.365  16.663
   73    H    LYS  11           HN       LYS  11  23.250 -17.368  15.873
   74    HA   LYS  11           HA       LYS  11  22.194 -17.284  18.373
   75   1HB   LYS  11           HB2      LYS  11  20.715 -16.808  15.773
   76   2HB   LYS  11           HB1      LYS  11  19.968 -16.491  17.335
   77   1HG   LYS  11           HG2      LYS  11  20.880 -14.398  17.077
   78   2HG   LYS  11           HG1      LYS  11  22.348 -15.157  17.668
   79   1HD   LYS  11           HD2      LYS  11  23.140 -14.167  15.717
   80   2HD   LYS  11           HD1      LYS  11  22.712 -15.767  15.118
   81   1HE   LYS  11           HE2      LYS  11  21.870 -13.917  13.656
   82   2HE   LYS  11           HE1      LYS  11  20.577 -14.938  14.285
   83   1HZ   LYS  11           HZ3      LYS  11  21.269 -12.702  15.972
   84   2HZ   LYS  11           HZ2      LYS  11  20.645 -12.256  14.456
   85   3HZ   LYS  11           HZ1      LYS  11  19.744 -13.263  15.486
   86    H    LEU  12           HN       LEU  12  21.080 -19.577  15.894
   87    HA   LEU  12           HA       LEU  12  18.910 -20.639  17.410
   88   1HB   LEU  12           HB2      LEU  12  20.573 -21.576  15.110
   89   2HB   LEU  12           HB1      LEU  12  19.640 -22.797  15.963
   90    HG   LEU  12           HG       LEU  12  18.514 -21.667  13.946
   91   1HD1  LEU  12          1HD1      LEU  12  17.358 -22.924  15.892
   92   2HD1  LEU  12          3HD1      LEU  12  16.909 -21.324  16.479
   93   3HD1  LEU  12          2HD1      LEU  12  16.366 -21.866  14.895
   94   1HD2  LEU  12          2HD2      LEU  12  19.314 -19.333  14.863
   95   2HD2  LEU  12          1HD2      LEU  12  17.744 -19.469  14.081
   96   3HD2  LEU  12          3HD2      LEU  12  17.844 -19.416  15.842
   97    H    ILE  13           HN       ILE  13  22.293 -21.701  17.125
   98    HA   ILE  13           HA       ILE  13  22.225 -23.842  18.954
   99    HB   ILE  13           HB       ILE  13  24.401 -21.780  18.465
  100   1HG1  ILE  13          2HG1      ILE  13  24.212 -24.684  17.618
  101   2HG1  ILE  13          1HG1      ILE  13  23.675 -23.346  16.602
  102   1HG2  ILE  13          2HG2      ILE  13  24.407 -24.306  20.136
  103   2HG2  ILE  13          1HG2      ILE  13  25.887 -23.576  19.515
  104   3HG2  ILE  13          3HG2      ILE  13  24.865 -22.679  20.636
  105   1HD1  ILE  13          1HD1      ILE  13  25.982 -22.353  16.825
  106   2HD1  ILE  13          3HD1      ILE  13  26.479 -23.836  17.640
  107   3HD1  ILE  13          2HD1      ILE  13  25.943 -23.890  15.961
  108    H    GLN  14           HN       GLN  14  22.806 -20.388  19.619
  109    HA   GLN  14           HA       GLN  14  22.927 -20.585  22.448
  110   1HB   GLN  14           HB2      GLN  14  22.117 -18.366  20.563
  111   2HB   GLN  14           HB1      GLN  14  22.114 -18.140  22.310
  112   1HG   GLN  14           HG2      GLN  14  24.530 -19.181  20.823
  113   2HG   GLN  14           HG1      GLN  14  24.262 -17.460  21.100
  114   1HE2  GLN  14          1HE2      GLN  14  25.330 -20.422  22.579
  115   2HE2  GLN  14          2HE2      GLN  14  25.602 -19.791  24.131
  116    H    GLN  15           HN       GLN  15  20.129 -19.980  20.290
  117    HA   GLN  15           HA       GLN  15  18.203 -19.779  22.408
  118   1HB   GLN  15           HB2      GLN  15  17.967 -20.496  19.484
  119   2HB   GLN  15           HB1      GLN  15  16.566 -20.383  20.534
  120   1HG   GLN  15           HG2      GLN  15  17.293 -18.044  21.127
  121   2HG   GLN  15           HG1      GLN  15  18.535 -18.179  19.883
  122   1HE2  GLN  15          1HE2      GLN  15  17.865 -18.112  17.651
  123   2HE2  GLN  15          2HE2      GLN  15  16.273 -17.744  17.192
  124    H    ALA  16           HN       ALA  16  18.743 -22.499  20.127
  125    HA   ALA  16           HA       ALA  16  17.165 -24.381  21.514
  126   1HB   ALA  16           HB2      ALA  16  18.559 -26.107  20.400
  127   2HB   ALA  16           HB1      ALA  16  18.066 -24.835  19.283
  128   3HB   ALA  16           HB3      ALA  16  19.707 -24.853  19.929
  129    H    THR  17           HN       THR  17  20.546 -23.428  22.022
  130    HA   THR  17           HA       THR  17  21.146 -25.433  23.985
  131    HB   THR  17           HB       THR  17  22.289 -22.651  23.585
  132    HG1  THR  17           HG1      THR  17  24.034 -24.411  22.970
  133   1HG2  THR  17          2HG2      THR  17  23.110 -24.927  25.394
  134   2HG2  THR  17          1HG2      THR  17  24.230 -23.654  24.908
  135   3HG2  THR  17          3HG2      THR  17  22.786 -23.251  25.837
  136    H    SER  18           HN       SER  18  20.268 -21.984  24.405
  137    HA   SER  18           HA       SER  18  20.049 -21.865  27.163
  138   1HB   SER  18           HB2      SER  18  17.932 -20.338  26.580
  139   2HB   SER  18           HB1      SER  18  19.564 -19.824  26.165
  140    HG   SER  18           HG       SER  18  17.762 -19.881  24.489
  141    H    ILE  19           HN       ILE  19  16.995 -22.270  25.296
  142    HA   ILE  19           HA       ILE  19  15.297 -23.185  27.135
  143    HB   ILE  19           HB       ILE  19  15.799 -23.978  24.273
  144   1HG1  ILE  19          2HG1      ILE  19  13.601 -22.853  23.978
  145   2HG1  ILE  19          1HG1      ILE  19  13.523 -22.583  25.718
  146   1HG2  ILE  19          2HG2      ILE  19  13.656 -25.178  26.042
  147   2HG2  ILE  19          1HG2      ILE  19  13.586 -25.185  24.286
  148   3HG2  ILE  19          3HG2      ILE  19  14.879 -26.045  25.118
  149   1HD1  ILE  19          1HD1      ILE  19  15.802 -21.584  23.990
  150   2HD1  ILE  19          3HD1      ILE  19  14.382 -20.615  24.368
  151   3HD1  ILE  19          2HD1      ILE  19  15.454 -21.145  25.667
  152    H    GLU  20           HN       GLU  20  17.523 -25.477  25.473
  153    HA   GLU  20           HA       GLU  20  16.763 -27.816  26.756
  154   1HB   GLU  20           HB2      GLU  20  19.507 -26.843  25.944
  155   2HB   GLU  20           HB1      GLU  20  19.249 -28.461  26.595
  156   1HG   GLU  20           HG2      GLU  20  17.641 -27.398  24.266
  157   2HG   GLU  20           HG1      GLU  20  19.179 -28.230  24.038
  158    H    ARG  21           HN       ARG  21  19.414 -25.723  27.997
  159    HA   ARG  21           HA       ARG  21  19.358 -27.106  30.550
  160   1HB   ARG  21           HB2      ARG  21  20.861 -24.714  29.491
  161   2HB   ARG  21           HB1      ARG  21  20.980 -25.198  31.182
  162   1HG   ARG  21           HG2      ARG  21  22.803 -26.230  29.950
  163   2HG   ARG  21           HG1      ARG  21  21.665 -27.486  30.432
  164   1HD   ARG  21           HD2      ARG  21  20.798 -27.708  28.249
  165   2HD   ARG  21           HD1      ARG  21  21.441 -26.147  27.736
  166    HE   ARG  21           HE       ARG  21  23.470 -28.137  28.503
  167   1HH1  ARG  21          1HH1      ARG  21  25.123 -28.043  26.892
  168   2HH1  ARG  21          2HH1      ARG  21  24.638 -27.899  25.236
  169   1HH2  ARG  21          1HH2      ARG  21  21.296 -27.355  25.990
  170   2HH2  ARG  21          2HH2      ARG  21  22.468 -27.507  24.724
  171    H    LEU  22           HN       LEU  22  17.755 -24.309  29.246
  172    HA   LEU  22           HA       LEU  22  17.162 -23.178  31.905
  173   1HB   LEU  22           HB2      LEU  22  16.698 -22.394  29.050
  174   2HB   LEU  22           HB1      LEU  22  15.590 -21.735  30.255
  175    HG   LEU  22           HG       LEU  22  17.490 -20.833  31.527
  176   1HD1  LEU  22          2HD1      LEU  22  19.137 -22.048  29.301
  177   2HD1  LEU  22          1HD1      LEU  22  19.767 -20.908  30.485
  178   3HD1  LEU  22          3HD1      LEU  22  19.187 -22.489  31.006
  179   1HD2  LEU  22          2HD2      LEU  22  16.495 -19.808  29.166
  180   2HD2  LEU  22          1HD2      LEU  22  17.605 -18.955  30.233
  181   3HD2  LEU  22          3HD2      LEU  22  18.222 -19.825  28.831
  182    H    CYS  23           HN       CYS  23  15.248 -24.537  29.226
  183    HA   CYS  23           HA       CYS  23  12.799 -24.558  30.748
  184   1HB   CYS  23           HB2      CYS  23  13.602 -25.948  28.201
  185   2HB   CYS  23           HB1      CYS  23  11.980 -26.002  28.859
  186    H    GLN  24           HN       GLN  24  15.442 -26.858  30.583
  187    HA   GLN  24           HA       GLN  24  13.835 -29.135  31.365
  188   1HB   GLN  24           HB2      GLN  24  16.793 -28.520  31.370
  189   2HB   GLN  24           HB1      GLN  24  16.169 -30.018  32.053
  190   1HG   GLN  24           HG2      GLN  24  15.510 -29.097  29.247
  191   2HG   GLN  24           HG1      GLN  24  16.874 -30.154  29.613
  192   1HE2  GLN  24          1HE2      GLN  24  15.609 -31.708  31.704
  193   2HE2  GLN  24          2HE2      GLN  24  14.389 -32.644  30.984
  194    H    HIS  25           HN       HIS  25  15.058 -26.374  32.993
  195    HA   HIS  25           HA       HIS  25  14.953 -27.687  35.662
  196   1HB   HIS  25           HB2      HIS  25  15.734 -24.877  34.826
  197   2HB   HIS  25           HB1      HIS  25  15.782 -25.483  36.479
  198    HD1  HIS  25           HD1      HIS  25  18.439 -24.856  36.110
  199    HD2  HIS  25           HD2      HIS  25  17.007 -28.211  34.095
  200    HE1  HIS  25           HE1      HIS  25  20.469 -26.209  35.434
  201    H    TYR  26           HN       TYR  26  13.066 -25.582  33.599
  202    HA   TYR  26           HA       TYR  26  11.370 -24.690  35.852
  203   1HB   TYR  26           HB2      TYR  26  11.450 -24.058  32.899
  204   2HB   TYR  26           HB1      TYR  26  10.136 -23.514  33.930
  205    HD1  TYR  26           HD1      TYR  26  11.016 -22.451  36.283
  206    HD2  TYR  26           HD2      TYR  26  13.200 -22.544  32.580
  207    HE1  TYR  26           HE1      TYR  26  12.397 -20.542  37.047
  208    HE2  TYR  26           HE2      TYR  26  14.581 -20.636  33.351
  209    HH   TYR  26           HH       TYR  26  14.009 -18.607  35.253
  210    H    ILE  27           HN       ILE  27   8.929 -24.576  34.800
  211    HA   ILE  27           HA       ILE  27   8.065 -27.401  34.817
  212    HB   ILE  27           HB       ILE  27   6.181 -25.058  34.523
  213   1HG1  ILE  27          2HG1      ILE  27   7.731 -24.302  36.230
  214   2HG1  ILE  27          1HG1      ILE  27   6.235 -24.810  37.010
  215   1HG2  ILE  27          3HG2      ILE  27   6.076 -27.673  36.057
  216   2HG2  ILE  27          2HG2      ILE  27   4.787 -26.469  36.010
  217   3HG2  ILE  27          1HG2      ILE  27   5.250 -27.324  34.538
  218   1HD1  ILE  27          1HD1      ILE  27   7.334 -27.073  37.385
  219   2HD1  ILE  27          3HD1      ILE  27   8.845 -26.334  36.860
  220   3HD1  ILE  27          2HD1      ILE  27   8.027 -25.737  38.300
  221    H    GLY  28           HN       GLY  28   6.584 -28.242  33.170
  222   1HA   GLY  28           HA1      GLY  28   5.634 -28.373  30.984
  223   2HA   GLY  28           HA2      GLY  28   7.337 -28.214  30.556
  224    H    TRP  29           HN       TRP  29   5.032 -25.860  31.932
  225    HA   TRP  29           HA       TRP  29   4.784 -24.322  29.506
  226   1HB   TRP  29           HB2      TRP  29   3.080 -24.036  31.178
  227   2HB   TRP  29           HB1      TRP  29   4.272 -23.693  32.430
  228    HD1  TRP  29           HD1      TRP  29   3.038 -22.177  29.098
  229    HE1  TRP  29           HE1      TRP  29   3.252 -19.620  29.244
  230    HE3  TRP  29           HE3      TRP  29   5.191 -21.752  33.713
  231    HZ2  TRP  29           HZ2      TRP  29   4.198 -17.637  31.095
  232    HZ3  TRP  29           HZ3      TRP  29   5.735 -19.516  34.641
  233    HH2  TRP  29           HH2      TRP  29   5.242 -17.462  33.340
  234    H    CYS  30           HN       CYS  30   7.079 -24.154  28.858
  235    HA   CYS  30           HA       CYS  30   8.801 -22.478  30.601
  236   1HB   CYS  30           HB2      CYS  30   9.615 -24.627  29.507
  237   2HB   CYS  30           HB1      CYS  30   9.513 -23.777  27.966
  238    HA   PRO  31           HA       PRO  31   7.406 -19.262  27.644
  239   1HB   PRO  31           HB2      PRO  31   8.075 -17.063  29.140
  240   2HB   PRO  31           HB1      PRO  31   6.594 -17.999  29.406
  241   1HG   PRO  31           HG2      PRO  31   9.135 -18.010  30.947
  242   2HG   PRO  31           HG1      PRO  31   7.470 -18.220  31.513
  243   1HD   PRO  31           HD2      PRO  31   9.294 -20.299  31.109
  244   2HD   PRO  31           HD1      PRO  31   7.531 -20.502  31.190
  245    H    PHE  32           HN       PHE  32   9.709 -20.518  26.963
  246    HA   PHE  32           HA       PHE  32  11.668 -18.291  26.479
  247   1HB   PHE  32           HB2      PHE  32  12.161 -21.203  27.138
  248   2HB   PHE  32           HB1      PHE  32  13.396 -20.166  26.427
  249    HD1  PHE  32           HD1      PHE  32  14.783 -18.914  27.846
  250    HD2  PHE  32           HD2      PHE  32  10.951 -20.233  29.272
  251    HE1  PHE  32           HE1      PHE  32  15.319 -18.030  30.101
  252    HE2  PHE  32           HE2      PHE  32  11.483 -19.344  31.523
  253    HZ   PHE  32           HZ       PHE  32  13.666 -18.243  31.939
  254    H    TRP  33           HN       TRP  33  10.166 -21.272  25.265
  255    HA   TRP  33           HA       TRP  33  11.441 -21.545  22.793
  256   1HB   TRP  33           HB2      TRP  33   8.566 -21.960  23.621
  257   2HB   TRP  33           HB1      TRP  33   9.086 -22.282  21.968
  258    HD1  TRP  33           HD1      TRP  33  11.651 -23.771  22.113
  259    HE1  TRP  33           HE1      TRP  33  11.936 -26.014  23.348
  260    HE3  TRP  33           HE3      TRP  33   7.677 -23.528  25.314
  261    HZ2  TRP  33           HZ2      TRP  33  10.646 -27.513  25.412
  262    HZ3  TRP  33           HZ3      TRP  33   7.229 -25.378  26.901
  263    HH2  TRP  33           HH2      TRP  33   8.707 -27.369  26.954

  No H/Q in entry =         263
  Start of MODEL   11
    1    H1   ASN   1           HT3      ASN   1  45.389  40.024  15.048
    2    H2   ASN   1           HT2      ASN   1  46.727  39.692  16.041
    3    H3   ASN   1           HT1      ASN   1  45.220  40.056  16.736
    4    HA   ASN   1           HA       ASN   1  45.535  42.241  16.598
    5   1HB   ASN   1           HB2      ASN   1  47.796  41.259  17.336
    6   2HB   ASN   1           HB1      ASN   1  48.346  41.589  15.693
    7   1HD2  ASN   1          1HD2      ASN   1  46.625  44.042  15.470
    8   2HD2  ASN   1          2HD2      ASN   1  47.393  45.224  16.416
    9    H    GLU   2           HN       GLU   2  44.170  42.610  14.744
   10    HA   GLU   2           HA       GLU   2  43.805  43.805  12.764
   11   1HB   GLU   2           HB2      GLU   2  46.243  44.681  13.277
   12   2HB   GLU   2           HB1      GLU   2  46.704  43.614  11.960
   13   1HG   GLU   2           HG2      GLU   2  44.980  44.722  10.520
   14   2HG   GLU   2           HG1      GLU   2  44.686  45.866  11.830
   15    H    LEU   3           HN       LEU   3  46.022  42.799  10.559
   16    HA   LEU   3           HA       LEU   3  45.864  41.230   8.820
   17   1HB   LEU   3           HB2      LEU   3  44.995  39.408  11.097
   18   2HB   LEU   3           HB1      LEU   3  45.485  38.874   9.499
   19    HG   LEU   3           HG       LEU   3  47.372  38.583  10.953
   20   1HD1  LEU   3          3HD1      LEU   3  47.657  39.734   8.630
   21   2HD1  LEU   3          2HD1      LEU   3  48.058  41.170   9.576
   22   3HD1  LEU   3          1HD1      LEU   3  49.025  39.705   9.741
   23   1HD2  LEU   3          1HD2      LEU   3  46.426  40.441  12.580
   24   2HD2  LEU   3          3HD2      LEU   3  48.156  40.116  12.515
   25   3HD2  LEU   3          2HD2      LEU   3  47.490  41.497  11.655
   26    H    ASP   4           HN       ASP   4  43.821  42.811   8.551
   27    HA   ASP   4           HA       ASP   4  41.252  41.408   8.846
   28   1HB   ASP   4           HB2      ASP   4  40.318  43.435   7.754
   29   2HB   ASP   4           HB1      ASP   4  41.329  43.844   9.141
   30    H    VAL   5           HN       VAL   5  41.472  39.578   7.478
   31    HA   VAL   5           HA       VAL   5  41.464  40.192   4.549
   32    HB   VAL   5           HB       VAL   5  42.477  37.664   4.591
   33   1HG1  VAL   5          2HG1      VAL   5  44.074  40.221   4.905
   34   2HG1  VAL   5          1HG1      VAL   5  44.725  38.690   4.320
   35   3HG1  VAL   5          3HG1      VAL   5  43.489  39.536   3.389
   36   1HG2  VAL   5          2HG2      VAL   5  42.476  37.862   7.168
   37   2HG2  VAL   5          1HG2      VAL   5  43.954  37.283   6.402
   38   3HG2  VAL   5          3HG2      VAL   5  43.843  38.953   6.956
   39    HA   PRO   6           HA       PRO   6  37.676  37.915   4.549
   40   1HB   PRO   6           HB2      PRO   6  37.696  36.737   2.065
   41   2HB   PRO   6           HB1      PRO   6  37.441  38.475   2.313
   42   1HG   PRO   6           HG2      PRO   6  39.933  37.030   1.524
   43   2HG   PRO   6           HG1      PRO   6  39.272  38.555   0.906
   44   1HD   PRO   6           HD2      PRO   6  41.309  38.471   2.729
   45   2HD   PRO   6           HD1      PRO   6  40.127  39.798   2.675
   46    H    GLU   7           HN       GLU   7  39.963  36.478   5.773
   47    HA   GLU   7           HA       GLU   7  40.091  33.787   4.828
   48   1HB   GLU   7           HB2      GLU   7  40.725  33.292   7.290
   49   2HB   GLU   7           HB1      GLU   7  41.778  34.371   6.379
   50   1HG   GLU   7           HG2      GLU   7  40.736  36.323   7.388
   51   2HG   GLU   7           HG1      GLU   7  39.544  35.312   8.202
   52    H    GLN   8           HN       GLN   8  38.010  35.360   7.223
   53    HA   GLN   8           HA       GLN   8  36.546  33.067   8.030
   54   1HB   GLN   8           HB2      GLN   8  35.200  35.740   7.688
   55   2HB   GLN   8           HB1      GLN   8  34.988  34.544   8.964
   56   1HG   GLN   8           HG2      GLN   8  37.428  35.008   9.598
   57   2HG   GLN   8           HG1      GLN   8  37.315  36.421   8.548
   58   1HE2  GLN   8          1HE2      GLN   8  37.415  36.021  11.656
   59   2HE2  GLN   8          2HE2      GLN   8  36.154  37.015  12.207
   60    H    VAL   9           HN       VAL   9  35.662  35.469   5.534
   61    HA   VAL   9           HA       VAL   9  33.413  34.208   4.475
   62    HB   VAL   9           HB       VAL   9  35.611  35.595   2.903
   63   1HG1  VAL   9          3HG1      VAL   9  32.675  35.120   2.307
   64   2HG1  VAL   9          2HG1      VAL   9  33.747  36.139   1.345
   65   3HG1  VAL   9          1HG1      VAL   9  34.043  34.404   1.453
   66   1HG2  VAL   9          2HG2      VAL   9  33.216  36.614   4.447
   67   2HG2  VAL   9          1HG2      VAL   9  34.906  37.085   4.631
   68   3HG2  VAL   9          3HG2      VAL   9  34.006  37.572   3.195
   69    H    ASP  10           HN       ASP  10  36.716  33.146   4.353
   70    HA   ASP  10           HA       ASP  10  36.522  31.453   2.037
   71   1HB   ASP  10           HB2      ASP  10  38.639  32.158   3.407
   72   2HB   ASP  10           HB1      ASP  10  38.245  30.772   4.424
   73    H    LYS  11           HN       LYS  11  36.616  30.440   5.454
   74    HA   LYS  11           HA       LYS  11  35.782  27.847   5.328
   75   1HB   LYS  11           HB2      LYS  11  34.817  29.976   7.257
   76   2HB   LYS  11           HB1      LYS  11  34.392  28.280   7.445
   77   1HG   LYS  11           HG2      LYS  11  36.313  28.198   8.706
   78   2HG   LYS  11           HG1      LYS  11  37.107  28.042   7.148
   79   1HD   LYS  11           HD2      LYS  11  38.312  29.814   8.055
   80   2HD   LYS  11           HD1      LYS  11  37.055  30.694   7.190
   81   1HE   LYS  11           HE2      LYS  11  37.391  31.527   9.523
   82   2HE   LYS  11           HE1      LYS  11  35.753  30.937   9.242
   83   1HZ   LYS  11           HZ2      LYS  11  37.646  28.951  10.169
   84   2HZ   LYS  11           HZ1      LYS  11  37.297  30.182  11.288
   85   3HZ   LYS  11           HZ3      LYS  11  36.042  29.235  10.652
   86    H    LEU  12           HN       LEU  12  33.668  30.631   4.760
   87    HA   LEU  12           HA       LEU  12  31.257  29.065   4.589
   88   1HB   LEU  12           HB2      LEU  12  32.072  31.851   3.877
   89   2HB   LEU  12           HB1      LEU  12  30.625  31.228   3.098
   90    HG   LEU  12           HG       LEU  12  30.239  32.473   5.282
   91   1HD1  LEU  12          2HD1      LEU  12  28.763  30.534   4.229
   92   2HD1  LEU  12          1HD1      LEU  12  29.294  29.641   5.653
   93   3HD1  LEU  12          3HD1      LEU  12  28.411  31.153   5.840
   94   1HD2  LEU  12          2HD2      LEU  12  32.342  31.250   6.298
   95   2HD2  LEU  12          1HD2      LEU  12  30.958  31.609   7.329
   96   3HD2  LEU  12          3HD2      LEU  12  31.179  29.977   6.691
   97    H    ILE  13           HN       ILE  13  33.575  30.280   2.161
   98    HA   ILE  13           HA       ILE  13  32.231  29.250  -0.126
   99    HB   ILE  13           HB       ILE  13  35.188  29.659   0.423
  100   1HG1  ILE  13          2HG1      ILE  13  33.248  31.243  -1.290
  101   2HG1  ILE  13          1HG1      ILE  13  33.622  31.651   0.384
  102   1HG2  ILE  13          1HG2      ILE  13  33.723  28.861  -2.105
  103   2HG2  ILE  13          3HG2      ILE  13  35.327  29.593  -2.130
  104   3HG2  ILE  13          2HG2      ILE  13  35.081  28.038  -1.338
  105   1HD1  ILE  13          2HD1      ILE  13  35.741  31.357  -1.758
  106   2HD1  ILE  13          1HD1      ILE  13  34.992  32.899  -1.345
  107   3HD1  ILE  13          3HD1      ILE  13  35.938  32.028  -0.141
  108    H    GLN  14           HN       GLN  14  34.831  27.779   1.852
  109    HA   GLN  14           HA       GLN  14  34.873  25.254   0.577
  110   1HB   GLN  14           HB2      GLN  14  35.440  26.130   3.414
  111   2HB   GLN  14           HB1      GLN  14  35.623  24.454   2.908
  112   1HG   GLN  14           HG2      GLN  14  37.189  25.160   1.130
  113   2HG   GLN  14           HG1      GLN  14  37.018  26.835   1.656
  114   1HE2  GLN  14          1HE2      GLN  14  39.480  26.566   2.011
  115   2HE2  GLN  14          2HE2      GLN  14  39.987  25.934   3.503
  116    H    GLN  15           HN       GLN  15  33.127  26.213   3.533
  117    HA   GLN  15           HA       GLN  15  31.602  23.885   3.930
  118   1HB   GLN  15           HB2      GLN  15  31.116  26.798   4.482
  119   2HB   GLN  15           HB1      GLN  15  29.842  25.643   4.822
  120   1HG   GLN  15           HG2      GLN  15  31.412  26.201   6.752
  121   2HG   GLN  15           HG1      GLN  15  31.177  24.485   6.416
  122   1HE2  GLN  15          1HE2      GLN  15  33.562  26.724   7.084
  123   2HE2  GLN  15          2HE2      GLN  15  34.887  25.940   6.370
  124    H    ALA  16           HN       ALA  16  30.517  26.816   2.162
  125    HA   ALA  16           HA       ALA  16  28.142  25.642   1.124
  126   1HB   ALA  16           HB2      ALA  16  29.758  27.715  -0.366
  127   2HB   ALA  16           HB1      ALA  16  28.005  27.522  -0.307
  128   3HB   ALA  16           HB3      ALA  16  28.874  28.119   1.107
  129    H    THR  17           HN       THR  17  31.406  25.861  -0.255
  130    HA   THR  17           HA       THR  17  30.818  24.543  -2.732
  131    HB   THR  17           HB       THR  17  33.349  24.764  -1.090
  132    HG1  THR  17           HG1      THR  17  33.797  25.862  -3.265
  133   1HG2  THR  17          1HG2      THR  17  32.882  23.264  -3.668
  134   2HG2  THR  17          3HG2      THR  17  34.474  23.883  -3.225
  135   3HG2  THR  17          2HG2      THR  17  33.674  22.688  -2.200
  136    H    SER  18           HN       SER  18  32.216  23.231   0.275
  137    HA   SER  18           HA       SER  18  32.298  20.539  -0.325
  138   1HB   SER  18           HB2      SER  18  32.197  20.117   2.014
  139   2HB   SER  18           HB1      SER  18  32.897  21.722   1.863
  140    HG   SER  18           HG       SER  18  30.764  21.044   3.209
  141    H    ILE  19           HN       ILE  19  29.432  21.771   1.527
  142    HA   ILE  19           HA       ILE  19  27.722  19.713   1.211
  143    HB   ILE  19           HB       ILE  19  27.408  22.693   1.304
  144   1HG1  ILE  19          2HG1      ILE  19  26.068  22.042   3.345
  145   2HG1  ILE  19          1HG1      ILE  19  26.475  20.367   2.997
  146   1HG2  ILE  19          2HG2      ILE  19  25.113  20.799   0.759
  147   2HG2  ILE  19          1HG2      ILE  19  24.905  22.417   1.416
  148   3HG2  ILE  19          3HG2      ILE  19  25.582  22.203  -0.198
  149   1HD1  ILE  19          1HD1      ILE  19  28.486  22.573   3.481
  150   2HD1  ILE  19          3HD1      ILE  19  28.014  21.345   4.654
  151   3HD1  ILE  19          2HD1      ILE  19  28.858  20.872   3.180
  152    H    GLU  20           HN       GLU  20  28.146  22.202  -1.362
  153    HA   GLU  20           HA       GLU  20  26.172  21.393  -3.119
  154   1HB   GLU  20           HB2      GLU  20  29.004  22.237  -3.748
  155   2HB   GLU  20           HB1      GLU  20  27.789  21.982  -4.996
  156   1HG   GLU  20           HG2      GLU  20  27.309  23.804  -2.632
  157   2HG   GLU  20           HG1      GLU  20  28.030  24.380  -4.135
  158    H    ARG  21           HN       ARG  21  29.447  19.904  -3.065
  159    HA   ARG  21           HA       ARG  21  28.473  17.753  -4.814
  160   1HB   ARG  21           HB2      ARG  21  31.162  18.526  -3.698
  161   2HB   ARG  21           HB1      ARG  21  30.924  16.957  -4.467
  162   1HG   ARG  21           HG2      ARG  21  31.752  18.750  -6.028
  163   2HG   ARG  21           HG1      ARG  21  30.241  17.998  -6.536
  164   1HD   ARG  21           HD2      ARG  21  28.950  19.866  -5.797
  165   2HD   ARG  21           HD1      ARG  21  30.316  20.549  -4.914
  166    HE   ARG  21           HE       ARG  21  29.791  20.878  -7.748
  167   1HH1  ARG  21          1HH1      ARG  21  32.476  19.523  -7.647
  168   2HH1  ARG  21          2HH1      ARG  21  33.552  20.874  -7.519
  169   1HH2  ARG  21          1HH2      ARG  21  31.067  23.102  -6.582
  170   2HH2  ARG  21          2HH2      ARG  21  32.755  22.899  -6.914
  171    H    LEU  22           HN       LEU  22  28.940  18.274  -1.421
  172    HA   LEU  22           HA       LEU  22  29.169  15.406  -0.793
  173   1HB   LEU  22           HB2      LEU  22  29.184  17.982   0.736
  174   2HB   LEU  22           HB1      LEU  22  28.740  16.523   1.615
  175    HG   LEU  22           HG       LEU  22  30.849  15.455   0.918
  176   1HD1  LEU  22          3HD1      LEU  22  31.126  16.644  -1.238
  177   2HD1  LEU  22          2HD1      LEU  22  31.451  18.138  -0.361
  178   3HD1  LEU  22          1HD1      LEU  22  32.569  16.784  -0.238
  179   1HD2  LEU  22          3HD2      LEU  22  30.983  18.163   2.250
  180   2HD2  LEU  22          2HD2      LEU  22  31.005  16.574   3.006
  181   3HD2  LEU  22          1HD2      LEU  22  32.411  17.139   2.105
  182    H    CYS  23           HN       CYS  23  26.687  17.894  -0.750
  183    HA   CYS  23           HA       CYS  23  24.708  16.050   0.460
  184   1HB   CYS  23           HB2      CYS  23  24.607  18.914  -0.433
  185   2HB   CYS  23           HB1      CYS  23  23.165  18.053   0.065
  186    H    GLN  24           HN       GLN  24  25.784  16.905  -2.699
  187    HA   GLN  24           HA       GLN  24  23.238  16.372  -4.028
  188   1HB   GLN  24           HB2      GLN  24  26.080  16.844  -4.923
  189   2HB   GLN  24           HB1      GLN  24  24.888  16.238  -6.070
  190   1HG   GLN  24           HG2      GLN  24  24.352  18.683  -4.377
  191   2HG   GLN  24           HG1      GLN  24  25.183  18.796  -5.929
  192   1HE2  GLN  24          1HE2      GLN  24  22.589  19.981  -5.490
  193   2HE2  GLN  24          2HE2      GLN  24  21.467  19.163  -6.467
  194    H    HIS  25           HN       HIS  25  25.822  14.503  -2.754
  195    HA   HIS  25           HA       HIS  25  25.434  12.203  -4.516
  196   1HB   HIS  25           HB2      HIS  25  26.980  12.637  -1.954
  197   2HB   HIS  25           HB1      HIS  25  26.888  11.064  -2.744
  198    HD1  HIS  25           HD1      HIS  25  29.417  11.112  -3.345
  199    HD2  HIS  25           HD2      HIS  25  27.233  14.251  -5.003
  200    HE1  HIS  25           HE1      HIS  25  30.912  12.182  -5.086
  201    H    TYR  26           HN       TYR  26  24.524  13.065  -1.185
  202    HA   TYR  26           HA       TYR  26  22.950  10.560  -0.964
  203   1HB   TYR  26           HB2      TYR  26  23.213  12.603   1.231
  204   2HB   TYR  26           HB1      TYR  26  23.075  10.855   1.339
  205    HD1  TYR  26           HD1      TYR  26  25.332  13.637   1.310
  206    HD2  TYR  26           HD2      TYR  26  25.036   9.438   0.416
  207    HE1  TYR  26           HE1      TYR  26  27.802  13.422   1.448
  208    HE2  TYR  26           HE2      TYR  26  27.503   9.235   0.548
  209    HH   TYR  26           HH       TYR  26  29.394  10.285   1.277
  210    H    ILE  27           HN       ILE  27  21.202  11.561   0.975
  211    HA   ILE  27           HA       ILE  27  19.157  12.862  -0.746
  212    HB   ILE  27           HB       ILE  27  19.011  11.608   2.016
  213   1HG1  ILE  27          2HG1      ILE  27  17.564   9.964   0.824
  214   2HG1  ILE  27          1HG1      ILE  27  17.892  10.804  -0.690
  215   1HG2  ILE  27          2HG2      ILE  27  16.918  13.036   0.361
  216   2HG2  ILE  27          1HG2      ILE  27  16.497  11.895   1.638
  217   3HG2  ILE  27          3HG2      ILE  27  17.390  13.366   2.028
  218   1HD1  ILE  27          1HD1      ILE  27  20.215   9.881   0.981
  219   2HD1  ILE  27          3HD1      ILE  27  19.335   8.702   0.009
  220   3HD1  ILE  27          2HD1      ILE  27  20.101  10.082  -0.770
  221    H    GLY  28           HN       GLY  28  18.075  14.812  -0.049
  222   1HA   GLY  28           HA1      GLY  28  17.835  16.833   1.192
  223   2HA   GLY  28           HA2      GLY  28  19.495  17.010   0.632
  224    H    TRP  29           HN       TRP  29  18.405  14.601   2.988
  225    HA   TRP  29           HA       TRP  29  19.346  16.156   5.268
  226   1HB   TRP  29           HB2      TRP  29  17.505  14.420   5.370
  227   2HB   TRP  29           HB1      TRP  29  18.749  13.187   5.163
  228    HD1  TRP  29           HD1      TRP  29  18.448  16.327   7.420
  229    HE1  TRP  29           HE1      TRP  29  19.120  15.661   9.810
  230    HE3  TRP  29           HE3      TRP  29  19.456  11.374   6.690
  231    HZ2  TRP  29           HZ2      TRP  29  19.977  13.319  11.237
  232    HZ3  TRP  29           HZ3      TRP  29  20.195   9.950   8.579
  233    HH2  TRP  29           HH2      TRP  29  20.457  10.914  10.848
  234    H    CYS  30           HN       CYS  30  21.544  16.526   4.358
  235    HA   CYS  30           HA       CYS  30  23.343  14.146   4.518
  236   1HB   CYS  30           HB2      CYS  30  25.041  16.077   3.723
  237   2HB   CYS  30           HB1      CYS  30  24.017  15.213   2.581
  238    HA   PRO  31           HA       PRO  31  24.477  15.549   8.607
  239   1HB   PRO  31           HB2      PRO  31  26.833  14.179   8.957
  240   2HB   PRO  31           HB1      PRO  31  25.238  13.404   9.033
  241   1HG   PRO  31           HG2      PRO  31  27.198  13.473   6.781
  242   2HG   PRO  31           HG1      PRO  31  26.198  12.129   7.363
  243   1HD   PRO  31           HD2      PRO  31  25.539  13.609   5.155
  244   2HD   PRO  31           HD1      PRO  31  24.319  12.848   6.201
  245    H    PHE  32           HN       PHE  32  25.655  16.857   5.972
  246    HA   PHE  32           HA       PHE  32  28.066  18.131   7.206
  247   1HB   PHE  32           HB2      PHE  32  27.045  18.042   4.352
  248   2HB   PHE  32           HB1      PHE  32  28.408  19.033   4.871
  249    HD1  PHE  32           HD1      PHE  32  27.535  15.902   3.527
  250    HD2  PHE  32           HD2      PHE  32  30.206  17.706   6.370
  251    HE1  PHE  32           HE1      PHE  32  29.058  13.955   3.338
  252    HE2  PHE  32           HE2      PHE  32  31.720  15.752   6.183
  253    HZ   PHE  32           HZ       PHE  32  31.146  13.876   4.668
  254    H    TRP  33           HN       TRP  33  24.763  18.642   6.829
  255    HA   TRP  33           HA       TRP  33  24.857  21.531   6.368
  256   1HB   TRP  33           HB2      TRP  33  22.724  19.515   7.051
  257   2HB   TRP  33           HB1      TRP  33  22.369  21.235   7.194
  258    HD1  TRP  33           HD1      TRP  33  24.751  20.188   4.480
  259    HE1  TRP  33           HE1      TRP  33  23.634  20.474   2.182
  260    HE3  TRP  33           HE3      TRP  33  19.953  21.082   5.961
  261    HZ2  TRP  33           HZ2      TRP  33  21.025  20.991   1.108
  262    HZ3  TRP  33           HZ3      TRP  33  18.169  21.457   4.283
  263    HH2  TRP  33           HH2      TRP  33  18.698  21.414   1.861

  No H/Q in entry =         263
  Start of MODEL   12
    1    H1   ASN   1           HT2      ASN   1  66.294  16.466  -9.935
    2    H2   ASN   1           HT1      ASN   1  67.829  16.974 -10.457
    3    H3   ASN   1           HT3      ASN   1  67.405  15.334 -10.542
    4    HA   ASN   1           HA       ASN   1  67.820  14.946  -8.381
    5   1HB   ASN   1           HB2      ASN   1  69.329  17.494  -9.003
    6   2HB   ASN   1           HB1      ASN   1  69.582  16.586  -7.512
    7   1HD2  ASN   1          1HD2      ASN   1  71.096  14.917  -7.631
    8   2HD2  ASN   1          2HD2      ASN   1  71.654  14.214  -9.072
    9    H    GLU   2           HN       GLU   2  67.594  18.520  -8.284
   10    HA   GLU   2           HA       GLU   2  66.216  18.386  -5.712
   11   1HB   GLU   2           HB2      GLU   2  67.804  20.215  -6.252
   12   2HB   GLU   2           HB1      GLU   2  66.730  20.759  -7.537
   13   1HG   GLU   2           HG2      GLU   2  66.359  22.109  -5.532
   14   2HG   GLU   2           HG1      GLU   2  64.934  21.119  -5.838
   15    H    LEU   3           HN       LEU   3  65.022  20.683  -8.051
   16    HA   LEU   3           HA       LEU   3  62.796  21.091  -8.702
   17   1HB   LEU   3           HB2      LEU   3  62.863  18.103  -9.238
   18   2HB   LEU   3           HB1      LEU   3  61.798  19.280  -9.991
   19    HG   LEU   3           HG       LEU   3  63.525  18.845 -11.579
   20   1HD1  LEU   3          3HD1      LEU   3  62.910  21.290 -11.029
   21   2HD1  LEU   3          2HD1      LEU   3  64.500  21.377 -10.268
   22   3HD1  LEU   3          1HD1      LEU   3  64.364  21.005 -11.986
   23   1HD2  LEU   3          2HD2      LEU   3  65.127  18.019  -9.601
   24   2HD2  LEU   3          1HD2      LEU   3  65.779  18.569 -11.139
   25   3HD2  LEU   3          3HD2      LEU   3  65.770  19.654  -9.753
   26    H    ASP   4           HN       ASP   4  60.505  19.488  -8.570
   27    HA   ASP   4           HA       ASP   4  60.230  18.494  -5.814
   28   1HB   ASP   4           HB2      ASP   4  58.514  20.827  -6.697
   29   2HB   ASP   4           HB1      ASP   4  58.611  20.104  -5.091
   30    H    VAL   5           HN       VAL   5  59.905  16.856  -7.835
   31    HA   VAL   5           HA       VAL   5  56.975  16.757  -8.455
   32    HB   VAL   5           HB       VAL   5  57.895  15.115 -10.287
   33   1HG1  VAL   5          1HG1      VAL   5  56.884  17.348 -10.725
   34   2HG1  VAL   5          3HG1      VAL   5  58.471  18.084 -10.491
   35   3HG1  VAL   5          2HG1      VAL   5  58.202  16.977 -11.838
   36   1HG2  VAL   5          3HG2      VAL   5  60.202  15.150  -9.228
   37   2HG2  VAL   5          2HG2      VAL   5  60.171  15.484 -10.960
   38   3HG2  VAL   5          1HG2      VAL   5  60.357  16.808  -9.809
   39    HA   PRO   6           HA       PRO   6  56.891  13.017  -6.040
   40   1HB   PRO   6           HB2      PRO   6  54.870  11.616  -7.258
   41   2HB   PRO   6           HB1      PRO   6  54.580  13.047  -6.249
   42   1HG   PRO   6           HG2      PRO   6  54.684  12.829  -9.226
   43   2HG   PRO   6           HG1      PRO   6  53.570  13.756  -8.203
   44   1HD   PRO   6           HD2      PRO   6  55.704  14.905  -9.484
   45   2HD   PRO   6           HD1      PRO   6  55.063  15.517  -7.942
   46    H    GLU   7           HN       GLU   7  58.532  13.157  -8.703
   47    HA   GLU   7           HA       GLU   7  58.481  10.609  -9.947
   48   1HB   GLU   7           HB2      GLU   7  60.023  12.964 -10.142
   49   2HB   GLU   7           HB1      GLU   7  61.200  11.726  -9.721
   50   1HG   GLU   7           HG2      GLU   7  60.136  10.322 -11.604
   51   2HG   GLU   7           HG1      GLU   7  59.354  11.820 -12.113
   52    H    GLN   8           HN       GLN   8  60.716  11.790  -7.456
   53    HA   GLN   8           HA       GLN   8  61.964   9.372  -6.797
   54   1HB   GLN   8           HB2      GLN   8  61.126  11.279  -4.621
   55   2HB   GLN   8           HB1      GLN   8  62.625  10.368  -4.782
   56   1HG   GLN   8           HG2      GLN   8  63.059  11.761  -6.897
   57   2HG   GLN   8           HG1      GLN   8  61.758  12.809  -6.331
   58   1HE2  GLN   8          1HE2      GLN   8  65.112  12.058  -5.946
   59   2HE2  GLN   8          2HE2      GLN   8  65.408  13.074  -4.619
   60    H    VAL   9           HN       VAL   9  59.026  10.696  -5.237
   61    HA   VAL   9           HA       VAL   9  58.418   8.489  -3.609
   62    HB   VAL   9           HB       VAL   9  56.582  10.402  -5.082
   63   1HG1  VAL   9          1HG1      VAL   9  55.981   8.244  -3.053
   64   2HG1  VAL   9          3HG1      VAL   9  54.926   9.643  -3.263
   65   3HG1  VAL   9          2HG1      VAL   9  55.197   8.533  -4.607
   66   1HG2  VAL   9          1HG2      VAL   9  58.153  11.329  -3.362
   67   2HG2  VAL   9          3HG2      VAL   9  56.456  11.522  -2.923
   68   3HG2  VAL   9          2HG2      VAL   9  57.423  10.253  -2.170
   69    H    ASP  10           HN       ASP  10  58.248   8.769  -7.077
   70    HA   ASP  10           HA       ASP  10  56.359   6.631  -7.517
   71   1HB   ASP  10           HB2      ASP  10  57.239   8.430  -9.196
   72   2HB   ASP  10           HB1      ASP  10  58.583   7.317  -9.446
   73    H    LYS  11           HN       LYS  11  59.880   6.645  -8.092
   74    HA   LYS  11           HA       LYS  11  60.450   4.015  -8.465
   75   1HB   LYS  11           HB2      LYS  11  61.934   5.970  -6.694
   76   2HB   LYS  11           HB1      LYS  11  62.559   4.361  -7.025
   77   1HG   LYS  11           HG2      LYS  11  63.569   5.384  -8.818
   78   2HG   LYS  11           HG1      LYS  11  62.005   5.179  -9.586
   79   1HD   LYS  11           HD2      LYS  11  62.302   7.452  -9.939
   80   2HD   LYS  11           HD1      LYS  11  61.482   7.511  -8.380
   81   1HE   LYS  11           HE2      LYS  11  63.515   8.955  -8.449
   82   2HE   LYS  11           HE1      LYS  11  63.628   7.694  -7.220
   83   1HZ   LYS  11           HZ2      LYS  11  64.597   6.792  -9.738
   84   2HZ   LYS  11           HZ1      LYS  11  65.418   8.194  -9.240
   85   3HZ   LYS  11           HZ3      LYS  11  65.385   6.829  -8.233
   86    H    LEU  12           HN       LEU  12  59.204   5.299  -5.461
   87    HA   LEU  12           HA       LEU  12  59.867   2.977  -3.877
   88   1HB   LEU  12           HB2      LEU  12  58.113   5.374  -3.536
   89   2HB   LEU  12           HB1      LEU  12  57.749   3.981  -2.530
   90    HG   LEU  12           HG       LEU  12  59.368   5.779  -1.600
   91   1HD1  LEU  12          2HD1      LEU  12  59.843   2.805  -1.581
   92   2HD1  LEU  12          1HD1      LEU  12  60.876   3.887  -0.648
   93   3HD1  LEU  12          3HD1      LEU  12  59.144   3.827  -0.329
   94   1HD2  LEU  12          1HD2      LEU  12  60.740   5.607  -3.857
   95   2HD2  LEU  12          3HD2      LEU  12  61.573   5.863  -2.329
   96   3HD2  LEU  12          2HD2      LEU  12  61.529   4.253  -3.042
   97    H    ILE  13           HN       ILE  13  57.021   4.009  -5.716
   98    HA   ILE  13           HA       ILE  13  55.253   1.914  -5.083
   99    HB   ILE  13           HB       ILE  13  55.708   3.313  -7.739
  100   1HG1  ILE  13          2HG1      ILE  13  53.507   3.679  -5.687
  101   2HG1  ILE  13          1HG1      ILE  13  54.976   4.656  -5.706
  102   1HG2  ILE  13          3HG2      ILE  13  53.548   1.398  -6.828
  103   2HG2  ILE  13          2HG2      ILE  13  53.322   2.511  -8.177
  104   3HG2  ILE  13          1HG2      ILE  13  54.573   1.270  -8.258
  105   1HD1  ILE  13          3HD1      ILE  13  54.468   5.342  -8.037
  106   2HD1  ILE  13          2HD1      ILE  13  52.974   4.409  -7.972
  107   3HD1  ILE  13          1HD1      ILE  13  53.185   5.811  -6.923
  108    H    GLN  14           HN       GLN  14  57.728   2.011  -7.655
  109    HA   GLN  14           HA       GLN  14  57.368  -0.648  -8.582
  110   1HB   GLN  14           HB2      GLN  14  59.748   1.213  -8.544
  111   2HB   GLN  14           HB1      GLN  14  59.837  -0.394  -9.258
  112   1HG   GLN  14           HG2      GLN  14  57.898   0.176 -10.716
  113   2HG   GLN  14           HG1      GLN  14  57.910   1.808 -10.048
  114   1HE2  GLN  14          1HE2      GLN  14  59.219   3.297 -11.132
  115   2HE2  GLN  14          2HE2      GLN  14  60.463   2.888 -12.212
  116    H    GLN  15           HN       GLN  15  59.625   0.639  -6.128
  117    HA   GLN  15           HA       GLN  15  60.775  -1.871  -5.394
  118   1HB   GLN  15           HB2      GLN  15  60.431   0.764  -3.975
  119   2HB   GLN  15           HB1      GLN  15  61.126  -0.608  -3.127
  120   1HG   GLN  15           HG2      GLN  15  62.772   0.987  -4.271
  121   2HG   GLN  15           HG1      GLN  15  62.975  -0.730  -4.613
  122   1HE2  GLN  15          1HE2      GLN  15  62.900   2.248  -6.121
  123   2HE2  GLN  15          2HE2      GLN  15  62.433   1.759  -7.677
  124    H    ALA  16           HN       ALA  16  58.243  -0.014  -3.647
  125    HA   ALA  16           HA       ALA  16  57.533  -2.082  -1.853
  126   1HB   ALA  16           HB2      ALA  16  56.741   0.325  -1.781
  127   2HB   ALA  16           HB3      ALA  16  55.486  -0.876  -1.477
  128   3HB   ALA  16           HB1      ALA  16  55.593  -0.091  -3.053
  129    H    THR  17           HN       THR  17  56.457  -1.434  -5.160
  130    HA   THR  17           HA       THR  17  54.417  -3.458  -5.247
  131    HB   THR  17           HB       THR  17  56.150  -2.260  -7.429
  132    HG1  THR  17           HG1      THR  17  54.500  -0.916  -7.690
  133   1HG2  THR  17          2HG2      THR  17  53.859  -4.223  -7.572
  134   2HG2  THR  17          1HG2      THR  17  54.317  -3.208  -8.940
  135   3HG2  THR  17          3HG2      THR  17  55.466  -4.375  -8.284
  136    H    SER  18           HN       SER  18  57.802  -3.482  -6.386
  137    HA   SER  18           HA       SER  18  58.065  -6.130  -7.161
  138   1HB   SER  18           HB2      SER  18  60.418  -5.937  -6.680
  139   2HB   SER  18           HB1      SER  18  59.865  -4.344  -7.178
  140    HG   SER  18           HG       SER  18  59.835  -3.716  -5.051
  141    H    ILE  19           HN       ILE  19  59.378  -5.294  -3.918
  142    HA   ILE  19           HA       ILE  19  59.458  -7.661  -2.701
  143    HB   ILE  19           HB       ILE  19  58.638  -4.921  -1.767
  144   1HG1  ILE  19          2HG1      ILE  19  60.776  -5.142  -0.500
  145   2HG1  ILE  19          1HG1      ILE  19  60.983  -6.755  -1.179
  146   1HG2  ILE  19          1HG2      ILE  19  58.714  -7.382  -0.005
  147   2HG2  ILE  19          3HG2      ILE  19  58.806  -5.736   0.606
  148   3HG2  ILE  19          2HG2      ILE  19  57.357  -6.280  -0.231
  149   1HD1  ILE  19          1HD1      ILE  19  60.654  -4.266  -2.878
  150   2HD1  ILE  19          3HD1      ILE  19  62.222  -4.923  -2.409
  151   3HD1  ILE  19          2HD1      ILE  19  61.138  -5.881  -3.419
  152    H    GLU  20           HN       GLU  20  56.386  -5.782  -2.754
  153    HA   GLU  20           HA       GLU  20  54.779  -7.483  -1.289
  154   1HB   GLU  20           HB2      GLU  20  54.169  -5.889  -3.780
  155   2HB   GLU  20           HB1      GLU  20  52.913  -6.823  -2.969
  156   1HG   GLU  20           HG2      GLU  20  53.163  -5.579  -0.942
  157   2HG   GLU  20           HG1      GLU  20  54.654  -4.826  -1.507
  158    H    ARG  21           HN       ARG  21  55.199  -7.839  -4.847
  159    HA   ARG  21           HA       ARG  21  53.976 -10.493  -4.717
  160   1HB   ARG  21           HB2      ARG  21  55.302  -9.203  -7.100
  161   2HB   ARG  21           HB1      ARG  21  54.088 -10.482  -7.095
  162   1HG   ARG  21           HG2      ARG  21  52.788  -8.483  -5.674
  163   2HG   ARG  21           HG1      ARG  21  53.729  -7.542  -6.830
  164   1HD   ARG  21           HD2      ARG  21  52.804  -9.055  -8.646
  165   2HD   ARG  21           HD1      ARG  21  51.716  -9.718  -7.426
  166    HE   ARG  21           HE       ARG  21  51.317  -6.982  -7.245
  167   1HH1  ARG  21          1HH1      ARG  21  51.181  -9.423  -9.673
  168   2HH1  ARG  21          2HH1      ARG  21  50.036  -8.572 -10.655
  169   1HH2  ARG  21          1HH2      ARG  21  49.868  -5.826  -8.545
  170   2HH2  ARG  21          2HH2      ARG  21  49.292  -6.536 -10.016
  171    H    LEU  22           HN       LEU  22  57.193  -9.212  -4.602
  172    HA   LEU  22           HA       LEU  22  58.436 -11.712  -5.557
  173   1HB   LEU  22           HB2      LEU  22  59.380  -8.984  -4.751
  174   2HB   LEU  22           HB1      LEU  22  60.533 -10.312  -4.602
  175    HG   LEU  22           HG       LEU  22  60.148 -10.908  -6.967
  176   1HD1  LEU  22          2HD1      LEU  22  58.361  -8.462  -6.975
  177   2HD1  LEU  22          1HD1      LEU  22  58.843  -9.368  -8.407
  178   3HD1  LEU  22          3HD1      LEU  22  57.835 -10.132  -7.180
  179   1HD2  LEU  22          3HD2      LEU  22  61.572  -8.655  -6.010
  180   2HD2  LEU  22          2HD2      LEU  22  61.803  -9.481  -7.548
  181   3HD2  LEU  22          1HD2      LEU  22  60.737  -8.087  -7.457
  182    H    CYS  23           HN       CYS  23  58.253  -9.912  -2.487
  183    HA   CYS  23           HA       CYS  23  59.657 -11.961  -1.003
  184   1HB   CYS  23           HB2      CYS  23  58.023  -9.563  -0.209
  185   2HB   CYS  23           HB1      CYS  23  58.673 -10.662   0.995
  186    H    GLN  24           HN       GLN  24  56.366 -11.668  -2.027
  187    HA   GLN  24           HA       GLN  24  55.172 -13.163   0.132
  188   1HB   GLN  24           HB2      GLN  24  54.364 -12.437  -2.676
  189   2HB   GLN  24           HB1      GLN  24  53.416 -13.630  -1.792
  190   1HG   GLN  24           HG2      GLN  24  54.109 -10.955  -0.571
  191   2HG   GLN  24           HG1      GLN  24  52.687 -11.158  -1.595
  192   1HE2  GLN  24          1HE2      GLN  24  50.915 -12.461  -0.768
  193   2HE2  GLN  24          2HE2      GLN  24  50.851 -12.958   0.853
  194    H    HIS  25           HN       HIS  25  57.247 -14.061  -2.428
  195    HA   HIS  25           HA       HIS  25  56.382 -16.926  -2.290
  196   1HB   HIS  25           HB2      HIS  25  58.138 -15.427  -4.256
  197   2HB   HIS  25           HB1      HIS  25  57.887 -17.174  -4.291
  198    HD1  HIS  25           HD1      HIS  25  56.182 -17.741  -6.009
  199    HD2  HIS  25           HD2      HIS  25  55.237 -14.187  -4.044
  200    HE1  HIS  25           HE1      HIS  25  53.967 -16.962  -6.961
  201    H    TYR  26           HN       TYR  26  58.710 -14.789  -1.037
  202    HA   TYR  26           HA       TYR  26  60.738 -16.954  -0.688
  203   1HB   TYR  26           HB2      TYR  26  60.805 -13.945  -0.535
  204   2HB   TYR  26           HB1      TYR  26  62.046 -14.891   0.276
  205    HD1  TYR  26           HD1      TYR  26  61.195 -13.332  -2.762
  206    HD2  TYR  26           HD2      TYR  26  63.066 -16.870  -1.208
  207    HE1  TYR  26           HE1      TYR  26  62.370 -13.654  -4.918
  208    HE2  TYR  26           HE2      TYR  26  64.250 -17.189  -3.363
  209    HH   TYR  26           HH       TYR  26  64.515 -16.456  -5.439
  210    H    ILE  27           HN       ILE  27  61.916 -16.573   1.524
  211    HA   ILE  27           HA       ILE  27  59.875 -17.044   3.616
  212    HB   ILE  27           HB       ILE  27  62.896 -17.317   3.598
  213   1HG1  ILE  27          2HG1      ILE  27  62.311 -19.739   3.855
  214   2HG1  ILE  27          1HG1      ILE  27  60.609 -19.313   3.692
  215   1HG2  ILE  27          3HG2      ILE  27  60.877 -17.711   5.817
  216   2HG2  ILE  27          2HG2      ILE  27  62.455 -18.500   5.828
  217   3HG2  ILE  27          1HG2      ILE  27  62.349 -16.739   5.846
  218   1HD1  ILE  27          2HD1      ILE  27  62.522 -18.398   1.563
  219   2HD1  ILE  27          1HD1      ILE  27  62.009 -20.084   1.580
  220   3HD1  ILE  27          3HD1      ILE  27  60.810 -18.802   1.436
  221    H    GLY  28           HN       GLY  28  60.025 -15.957   5.705
  222   1HA   GLY  28           HA1      GLY  28  60.512 -14.122   7.151
  223   2HA   GLY  28           HA2      GLY  28  59.740 -13.273   5.814
  224    H    TRP  29           HN       TRP  29  62.963 -14.825   5.998
  225    HA   TRP  29           HA       TRP  29  64.365 -12.289   6.107
  226   1HB   TRP  29           HB2      TRP  29  65.375 -14.452   6.859
  227   2HB   TRP  29           HB1      TRP  29  65.391 -14.994   5.181
  228    HD1  TRP  29           HD1      TRP  29  66.539 -11.768   7.002
  229    HE1  TRP  29           HE1      TRP  29  68.863 -11.126   6.100
  230    HE3  TRP  29           HE3      TRP  29  67.251 -15.552   3.650
  231    HZ2  TRP  29           HZ2      TRP  29  70.782 -12.099   4.205
  232    HZ3  TRP  29           HZ3      TRP  29  69.333 -15.671   2.311
  233    HH2  TRP  29           HH2      TRP  29  71.097 -13.951   2.584
  234    H    CYS  30           HN       CYS  30  63.246 -11.166   4.338
  235    HA   CYS  30           HA       CYS  30  63.726 -12.183   1.602
  236   1HB   CYS  30           HB2      CYS  30  61.551 -11.033   2.634
  237   2HB   CYS  30           HB1      CYS  30  62.378  -9.559   2.141
  238    HA   PRO  31           HA       PRO  31  67.279  -9.285   1.800
  239   1HB   PRO  31           HB2      PRO  31  68.666 -10.245  -0.361
  240   2HB   PRO  31           HB1      PRO  31  68.715 -11.015   1.238
  241   1HG   PRO  31           HG2      PRO  31  67.213 -11.818  -1.201
  242   2HG   PRO  31           HG1      PRO  31  67.963 -12.827   0.047
  243   1HD   PRO  31           HD2      PRO  31  65.237 -12.266  -0.108
  244   2HD   PRO  31           HD1      PRO  31  66.070 -12.805   1.364
  245    H    PHE  32           HN       PHE  32  64.674  -8.888   0.369
  246    HA   PHE  32           HA       PHE  32  65.533  -7.415  -2.083
  247   1HB   PHE  32           HB2      PHE  32  62.843  -8.286  -1.006
  248   2HB   PHE  32           HB1      PHE  32  62.986  -7.140  -2.339
  249    HD1  PHE  32           HD1      PHE  32  63.253  -7.934  -4.541
  250    HD2  PHE  32           HD2      PHE  32  64.162 -10.520  -1.236
  251    HE1  PHE  32           HE1      PHE  32  63.610  -9.818  -6.113
  252    HE2  PHE  32           HE2      PHE  32  64.521 -12.404  -2.808
  253    HZ   PHE  32           HZ       PHE  32  64.246 -12.052  -5.247
  254    H    TRP  33           HN       TRP  33  63.896  -6.911   1.035
  255    HA   TRP  33           HA       TRP  33  63.172  -4.223   0.800
  256   1HB   TRP  33           HB2      TRP  33  64.295  -5.755   3.155
  257   2HB   TRP  33           HB1      TRP  33  63.733  -4.091   3.298
  258    HD1  TRP  33           HD1      TRP  33  61.133  -3.906   1.869
  259    HE1  TRP  33           HE1      TRP  33  59.085  -5.355   2.427
  260    HE3  TRP  33           HE3      TRP  33  63.429  -7.788   4.265
  261    HZ2  TRP  33           HZ2      TRP  33  58.488  -7.836   3.732
  262    HZ3  TRP  33           HZ3      TRP  33  62.098  -9.675   5.157
  263    HH2  TRP  33           HH2      TRP  33  59.633  -9.706   4.894

  No H/Q in entry =         263
  Start of MODEL   13
    1    H1   ASN   1           HT3      ASN   1  -4.739   5.886  -4.167
    2    H2   ASN   1           HT2      ASN   1  -4.852   4.194  -4.266
    3    H3   ASN   1           HT1      ASN   1  -4.761   5.126  -5.683
    4    HA   ASN   1           HA       ASN   1  -6.976   4.939  -5.726
    5   1HB   ASN   1           HB2      ASN   1  -6.724   4.366  -2.762
    6   2HB   ASN   1           HB1      ASN   1  -8.269   4.415  -3.612
    7   1HD2  ASN   1          1HD2      ASN   1  -5.200   2.631  -3.365
    8   2HD2  ASN   1          2HD2      ASN   1  -5.742   1.249  -4.189
    9    H    GLU   2           HN       GLU   2  -5.372   6.950  -3.368
   10    HA   GLU   2           HA       GLU   2  -6.885   9.269  -4.189
   11   1HB   GLU   2           HB2      GLU   2  -8.545   8.118  -2.702
   12   2HB   GLU   2           HB1      GLU   2  -7.404   8.271  -1.370
   13   1HG   GLU   2           HG2      GLU   2  -7.513  10.666  -1.435
   14   2HG   GLU   2           HG1      GLU   2  -8.355  10.648  -2.985
   15    H    LEU   3           HN       LEU   3  -6.114   9.367  -0.855
   16    HA   LEU   3           HA       LEU   3  -4.457  10.621   0.244
   17   1HB   LEU   3           HB2      LEU   3  -2.684   9.098  -1.696
   18   2HB   LEU   3           HB1      LEU   3  -2.170   9.842  -0.190
   19    HG   LEU   3           HG       LEU   3  -2.432   7.498   0.247
   20   1HD1  LEU   3          1HD1      LEU   3  -3.463   9.249   1.865
   21   2HD1  LEU   3          3HD1      LEU   3  -5.016   8.622   1.308
   22   3HD1  LEU   3          2HD1      LEU   3  -3.864   7.548   2.099
   23   1HD2  LEU   3          3HD2      LEU   3  -4.135   7.308  -1.797
   24   2HD2  LEU   3          2HD2      LEU   3  -4.164   6.143  -0.480
   25   3HD2  LEU   3          1HD2      LEU   3  -5.339   7.452  -0.515
   26    H    ASP   4           HN       ASP   4  -5.687  12.088  -1.811
   27    HA   ASP   4           HA       ASP   4  -3.552  13.361  -3.401
   28   1HB   ASP   4           HB2      ASP   4  -5.796  13.041  -4.384
   29   2HB   ASP   4           HB1      ASP   4  -6.494  14.052  -3.119
   30    H    VAL   5           HN       VAL   5  -2.572  13.829  -1.084
   31    HA   VAL   5           HA       VAL   5  -3.451  16.573  -0.261
   32    HB   VAL   5           HB       VAL   5  -2.298  15.668   2.010
   33   1HG1  VAL   5          3HG1      VAL   5  -4.595  16.563   1.807
   34   2HG1  VAL   5          2HG1      VAL   5  -5.139  15.001   1.196
   35   3HG1  VAL   5          1HG1      VAL   5  -4.542  15.141   2.849
   36   1HG2  VAL   5          2HG2      VAL   5  -1.921  13.425   0.775
   37   2HG2  VAL   5          1HG2      VAL   5  -2.605  13.357   2.398
   38   3HG2  VAL   5          3HG2      VAL   5  -3.652  13.170   0.990
   39    HA   PRO   6           HA       PRO   6   0.748  17.696  -1.100
   40   1HB   PRO   6           HB2      PRO   6   1.208  19.684   0.741
   41   2HB   PRO   6           HB1      PRO   6   0.165  19.899  -0.680
   42   1HG   PRO   6           HG2      PRO   6  -0.600  19.328   2.151
   43   2HG   PRO   6           HG1      PRO   6  -1.353  20.428   0.982
   44   1HD   PRO   6           HD2      PRO   6  -2.377  17.952   1.542
   45   2HD   PRO   6           HD1      PRO   6  -2.559  18.727  -0.046
   46    H    GLU   7           HN       GLU   7   0.290  15.473   0.908
   47    HA   GLU   7           HA       GLU   7   2.102  15.746   3.092
   48   1HB   GLU   7           HB2      GLU   7   2.200  13.214   2.997
   49   2HB   GLU   7           HB1      GLU   7   0.571  13.881   3.091
   50   1HG   GLU   7           HG2      GLU   7   0.393  13.698   0.608
   51   2HG   GLU   7           HG1      GLU   7   1.978  12.928   0.584
   52    H    GLN   8           HN       GLN   8   2.567  15.346  -0.281
   53    HA   GLN   8           HA       GLN   8   5.295  14.322  -0.133
   54   1HB   GLN   8           HB2      GLN   8   3.765  15.656  -2.386
   55   2HB   GLN   8           HB1      GLN   8   5.344  14.902  -2.553
   56   1HG   GLN   8           HG2      GLN   8   2.959  13.408  -1.471
   57   2HG   GLN   8           HG1      GLN   8   3.338  13.454  -3.192
   58   1HE2  GLN   8          1HE2      GLN   8   3.423  10.967  -1.890
   59   2HE2  GLN   8          2HE2      GLN   8   5.036  10.456  -1.741
   60    H    VAL   9           HN       VAL   9   3.901  17.436  -1.159
   61    HA   VAL   9           HA       VAL   9   6.157  18.997  -1.413
   62    HB   VAL   9           HB       VAL   9   3.561  19.768  -0.043
   63   1HG1  VAL   9          1HG1      VAL   9   5.801  21.413  -1.243
   64   2HG1  VAL   9          3HG1      VAL   9   4.193  22.062  -0.917
   65   3HG1  VAL   9          2HG1      VAL   9   5.191  21.470   0.411
   66   1HG2  VAL   9          3HG2      VAL   9   3.469  18.765  -2.388
   67   2HG2  VAL   9          2HG2      VAL   9   2.785  20.383  -2.224
   68   3HG2  VAL   9          1HG2      VAL   9   4.388  20.171  -2.927
   69    H    ASP  10           HN       ASP  10   4.855  17.658   1.533
   70    HA   ASP  10           HA       ASP  10   6.224  19.381   3.387
   71   1HB   ASP  10           HB2      ASP  10   5.244  16.522   3.601
   72   2HB   ASP  10           HB1      ASP  10   6.009  17.365   4.946
   73    H    LYS  11           HN       LYS  11   7.024  16.018   2.527
   74    HA   LYS  11           HA       LYS  11   9.540  15.692   3.514
   75   1HB   LYS  11           HB2      LYS  11   8.536  14.944   0.759
   76   2HB   LYS  11           HB1      LYS  11  10.157  14.509   1.282
   77   1HG   LYS  11           HG2      LYS  11   9.144  12.612   2.086
   78   2HG   LYS  11           HG1      LYS  11   8.704  13.627   3.447
   79   1HD   LYS  11           HD2      LYS  11   6.608  12.804   2.896
   80   2HD   LYS  11           HD1      LYS  11   6.624  14.243   1.882
   81   1HE   LYS  11           HE2      LYS  11   5.885  12.222   0.630
   82   2HE   LYS  11           HE1      LYS  11   7.364  12.909  -0.043
   83   1HZ   LYS  11           HZ2      LYS  11   7.506  10.806   2.015
   84   2HZ   LYS  11           HZ1      LYS  11   7.224  10.386   0.393
   85   3HZ   LYS  11           HZ3      LYS  11   8.642  11.214   0.819
   86    H    LEU  12           HN       LEU  12   8.821  17.678   0.647
   87    HA   LEU  12           HA       LEU  12  11.542  18.354   0.080
   88   1HB   LEU  12           HB2      LEU  12   8.857  19.470  -0.630
   89   2HB   LEU  12           HB1      LEU  12  10.249  20.517  -0.874
   90    HG   LEU  12           HG       LEU  12   9.566  19.082  -2.875
   91   1HD1  LEU  12          3HD1      LEU  12  11.948  20.068  -2.329
   92   2HD1  LEU  12          2HD1      LEU  12  12.382  18.381  -2.065
   93   3HD1  LEU  12          1HD1      LEU  12  11.765  18.896  -3.631
   94   1HD2  LEU  12          1HD2      LEU  12   9.235  17.041  -1.256
   95   2HD2  LEU  12          3HD2      LEU  12   9.889  16.763  -2.869
   96   3HD2  LEU  12          2HD2      LEU  12  10.973  16.804  -1.479
   97    H    ILE  13           HN       ILE  13   9.028  20.081   1.959
   98    HA   ILE  13           HA       ILE  13  10.694  22.211   2.826
   99    HB   ILE  13           HB       ILE  13   8.396  20.815   4.239
  100   1HG1  ILE  13          2HG1      ILE  13   8.481  23.490   2.813
  101   2HG1  ILE  13          1HG1      ILE  13   7.974  21.994   2.028
  102   1HG2  ILE  13          3HG2      ILE  13   9.924  23.342   4.906
  103   2HG2  ILE  13          2HG2      ILE  13   8.313  23.005   5.541
  104   3HG2  ILE  13          1HG2      ILE  13   9.658  21.937   5.939
  105   1HD1  ILE  13          3HD1      ILE  13   6.719  23.021   4.584
  106   2HD1  ILE  13          2HD1      ILE  13   6.083  23.393   2.982
  107   3HD1  ILE  13          1HD1      ILE  13   6.131  21.722   3.546
  108    H    GLN  14           HN       GLN  14   9.985  19.077   4.397
  109    HA   GLN  14           HA       GLN  14  11.782  19.330   6.561
  110   1HB   GLN  14           HB2      GLN  14  10.889  16.887   5.010
  111   2HB   GLN  14           HB1      GLN  14  11.783  16.818   6.524
  112   1HG   GLN  14           HG2      GLN  14   9.964  18.214   7.573
  113   2HG   GLN  14           HG1      GLN  14   9.043  18.022   6.081
  114   1HE2  GLN  14          1HE2      GLN  14  10.430  16.206   8.825
  115   2HE2  GLN  14          2HE2      GLN  14   9.450  14.834   8.624
  116    H    GLN  15           HN       GLN  15  12.316  17.659   3.434
  117    HA   GLN  15           HA       GLN  15  15.055  17.096   3.752
  118   1HB   GLN  15           HB2      GLN  15  13.399  17.739   1.307
  119   2HB   GLN  15           HB1      GLN  15  15.102  17.316   1.181
  120   1HG   GLN  15           HG2      GLN  15  13.124  15.586   2.674
  121   2HG   GLN  15           HG1      GLN  15  13.436  15.383   0.950
  122   1HE2  GLN  15          1HE2      GLN  15  14.186  13.162   2.077
  123   2HE2  GLN  15          2HE2      GLN  15  15.839  13.085   2.452
  124    H    ALA  16           HN       ALA  16  13.681  19.930   2.021
  125    HA   ALA  16           HA       ALA  16  16.161  21.296   1.755
  126   1HB   ALA  16           HB2      ALA  16  13.942  21.855   0.620
  127   2HB   ALA  16           HB1      ALA  16  13.485  22.657   2.124
  128   3HB   ALA  16           HB3      ALA  16  14.876  23.232   1.206
  129    H    THR  17           HN       THR  17  13.647  21.556   4.280
  130    HA   THR  17           HA       THR  17  14.884  23.535   5.880
  131    HB   THR  17           HB       THR  17  13.244  21.120   6.691
  132    HG1  THR  17           HG1      THR  17  11.920  23.245   7.132
  133   1HG2  THR  17          3HG2      THR  17  14.304  23.429   8.320
  134   2HG2  THR  17          2HG2      THR  17  12.892  22.498   8.820
  135   3HG2  THR  17          1HG2      THR  17  14.459  21.703   8.651
  136    H    SER  18           HN       SER  18  15.137  19.987   6.278
  137    HA   SER  18           HA       SER  18  17.115  19.860   8.217
  138   1HB   SER  18           HB2      SER  18  17.926  17.793   6.701
  139   2HB   SER  18           HB1      SER  18  16.408  17.741   7.587
  140    HG   SER  18           HG       SER  18  16.807  18.480   4.876
  141    H    ILE  19           HN       ILE  19  18.239  19.197   4.889
  142    HA   ILE  19           HA       ILE  19  20.839  19.761   5.044
  143    HB   ILE  19           HB       ILE  19  18.790  20.334   2.925
  144   1HG1  ILE  19          2HG1      ILE  19  20.314  18.736   1.667
  145   2HG1  ILE  19          1HG1      ILE  19  21.245  18.572   3.151
  146   1HG2  ILE  19          2HG2      ILE  19  21.635  21.338   2.860
  147   2HG2  ILE  19          1HG2      ILE  19  20.793  20.908   1.373
  148   3HG2  ILE  19          3HG2      ILE  19  20.158  22.184   2.411
  149   1HD1  ILE  19          3HD1      ILE  19  18.282  17.981   2.893
  150   2HD1  ILE  19          2HD1      ILE  19  19.568  16.769   2.905
  151   3HD1  ILE  19          1HD1      ILE  19  19.273  17.754   4.341
  152    H    GLU  20           HN       GLU  20  18.482  22.456   4.596
  153    HA   GLU  20           HA       GLU  20  20.271  24.568   4.429
  154   1HB   GLU  20           HB2      GLU  20  17.627  24.391   5.875
  155   2HB   GLU  20           HB1      GLU  20  18.528  25.901   5.771
  156   1HG   GLU  20           HG2      GLU  20  17.887  24.265   3.312
  157   2HG   GLU  20           HG1      GLU  20  16.765  25.471   3.942
  158    H    ARG  21           HN       ARG  21  19.004  23.336   7.570
  159    HA   ARG  21           HA       ARG  21  21.069  24.838   8.991
  160   1HB   ARG  21           HB2      ARG  21  19.081  22.843  10.093
  161   2HB   ARG  21           HB1      ARG  21  19.987  24.044  11.009
  162   1HG   ARG  21           HG2      ARG  21  18.090  24.824   8.779
  163   2HG   ARG  21           HG1      ARG  21  17.548  24.625  10.442
  164   1HD   ARG  21           HD2      ARG  21  19.353  26.275  11.123
  165   2HD   ARG  21           HD1      ARG  21  19.604  26.592   9.407
  166    HE   ARG  21           HE       ARG  21  17.616  27.850   9.418
  167   1HH1  ARG  21          1HH1      ARG  21  15.287  26.919   9.935
  168   2HH1  ARG  21          2HH1      ARG  21  14.939  26.999  11.630
  169   1HH2  ARG  21          1HH2      ARG  21  18.252  27.441  12.557
  170   2HH2  ARG  21          2HH2      ARG  21  16.619  27.295  13.115
  171    H    LEU  22           HN       LEU  22  20.789  21.637   7.705
  172    HA   LEU  22           HA       LEU  22  22.727  20.488   9.617
  173   1HB   LEU  22           HB2      LEU  22  21.052  19.466   7.349
  174   2HB   LEU  22           HB1      LEU  22  22.512  18.565   7.750
  175    HG   LEU  22           HG       LEU  22  21.752  18.349  10.079
  176   1HD1  LEU  22          1HD1      LEU  22  19.305  19.828   9.082
  177   2HD1  LEU  22          3HD1      LEU  22  19.444  19.056  10.659
  178   3HD1  LEU  22          2HD1      LEU  22  20.473  20.429  10.259
  179   1HD2  LEU  22          1HD2      LEU  22  19.871  17.493   7.880
  180   2HD2  LEU  22          3HD2      LEU  22  21.076  16.530   8.721
  181   3HD2  LEU  22          2HD2      LEU  22  19.601  17.009   9.553
  182    H    CYS  23           HN       CYS  23  22.666  21.802   6.391
  183    HA   CYS  23           HA       CYS  23  25.423  20.902   5.821
  184   1HB   CYS  23           HB2      CYS  23  23.395  22.461   4.247
  185   2HB   CYS  23           HB1      CYS  23  25.056  22.310   3.705
  186    H    GLN  24           HN       GLN  24  24.051  23.562   7.448
  187    HA   GLN  24           HA       GLN  24  26.104  25.486   6.639
  188   1HB   GLN  24           HB2      GLN  24  23.880  25.447   8.679
  189   2HB   GLN  24           HB1      GLN  24  25.084  26.731   8.691
  190   1HG   GLN  24           HG2      GLN  24  23.641  26.020   6.137
  191   2HG   GLN  24           HG1      GLN  24  22.887  27.085   7.322
  192   1HE2  GLN  24          1HE2      GLN  24  23.210  29.222   6.701
  193   2HE2  GLN  24          2HE2      GLN  24  24.652  29.845   6.058
  194    H    HIS  25           HN       HIS  25  25.809  22.932   8.936
  195    HA   HIS  25           HA       HIS  25  27.795  24.018  10.799
  196   1HB   HIS  25           HB2      HIS  25  26.407  21.345  10.542
  197   2HB   HIS  25           HB1      HIS  25  27.674  21.630  11.734
  198    HD1  HIS  25           HD1      HIS  25  26.939  24.531  12.542
  199    HD2  HIS  25           HD2      HIS  25  24.164  21.438  12.203
  200    HE1  HIS  25           HE1      HIS  25  24.958  25.186  13.977
  201    H    TYR  26           HN       TYR  26  27.766  21.753   8.079
  202    HA   TYR  26           HA       TYR  26  30.697  21.305   8.430
  203   1HB   TYR  26           HB2      TYR  26  28.953  19.758   6.523
  204   2HB   TYR  26           HB1      TYR  26  30.403  19.251   7.376
  205    HD1  TYR  26           HD1      TYR  26  30.308  18.935   9.896
  206    HD2  TYR  26           HD2      TYR  26  26.805  19.403   7.449
  207    HE1  TYR  26           HE1      TYR  26  28.913  17.974  11.711
  208    HE2  TYR  26           HE2      TYR  26  25.410  18.441   9.266
  209    HH   TYR  26           HH       TYR  26  25.893  16.805  11.281
  210    H    ILE  27           HN       ILE  27  31.108  20.466   5.763
  211    HA   ILE  27           HA       ILE  27  31.111  23.102   4.383
  212    HB   ILE  27           HB       ILE  27  32.425  20.681   3.178
  213   1HG1  ILE  27          2HG1      ILE  27  33.049  20.310   5.467
  214   2HG1  ILE  27          1HG1      ILE  27  34.426  21.064   4.674
  215   1HG2  ILE  27          3HG2      ILE  27  32.550  22.961   2.166
  216   2HG2  ILE  27          2HG2      ILE  27  33.387  23.525   3.612
  217   3HG2  ILE  27          1HG2      ILE  27  34.134  22.306   2.580
  218   1HD1  ILE  27          1HD1      ILE  27  33.091  23.278   5.595
  219   2HD1  ILE  27          3HD1      ILE  27  32.704  22.095   6.846
  220   3HD1  ILE  27          2HD1      ILE  27  34.383  22.463   6.469
  221    H    GLY  28           HN       GLY  28  30.530  23.054   2.005
  222   1HA   GLY  28           HA1      GLY  28  29.178  22.345   0.190
  223   2HA   GLY  28           HA2      GLY  28  27.950  22.312   1.454
  224    H    TRP  29           HN       TRP  29  30.761  20.161   1.302
  225    HA   TRP  29           HA       TRP  29  29.315  17.943   0.131
  226   1HB   TRP  29           HB2      TRP  29  31.714  18.016  -0.105
  227   2HB   TRP  29           HB1      TRP  29  31.936  18.127   1.639
  228    HD1  TRP  29           HD1      TRP  29  30.230  15.645  -0.818
  229    HE1  TRP  29           HE1      TRP  29  30.722  13.252   0.019
  230    HE3  TRP  29           HE3      TRP  29  32.928  16.715   3.385
  231    HZ2  TRP  29           HZ2      TRP  29  32.080  11.967   2.179
  232    HZ3  TRP  29           HZ3      TRP  29  33.808  14.889   4.811
  233    HH2  TRP  29           HH2      TRP  29  33.388  12.519   4.215
  234    H    CYS  30           HN       CYS  30  27.677  18.815   2.099
  235    HA   CYS  30           HA       CYS  30  28.136  17.378   4.596
  236   1HB   CYS  30           HB2      CYS  30  25.503  17.971   4.788
  237   2HB   CYS  30           HB1      CYS  30  26.765  19.164   5.079
  238    HA   PRO  31           HA       PRO  31  26.663  13.454   3.038
  239   1HB   PRO  31           HB2      PRO  31  26.221  12.133   5.405
  240   2HB   PRO  31           HB1      PRO  31  27.841  12.457   4.759
  241   1HG   PRO  31           HG2      PRO  31  26.319  13.932   6.863
  242   2HG   PRO  31           HG1      PRO  31  28.033  13.477   6.823
  243   1HD   PRO  31           HD2      PRO  31  27.174  15.997   6.215
  244   2HD   PRO  31           HD1      PRO  31  28.617  15.273   5.469
  245    H    PHE  32           HN       PHE  32  24.599  15.641   3.502
  246    HA   PHE  32           HA       PHE  32  22.236  13.875   4.095
  247   1HB   PHE  32           HB2      PHE  32  22.627  16.854   4.482
  248   2HB   PHE  32           HB1      PHE  32  21.054  16.062   4.576
  249    HD1  PHE  32           HD1      PHE  32  21.041  13.848   6.100
  250    HD2  PHE  32           HD2      PHE  32  23.824  17.100   6.482
  251    HE1  PHE  32           HE1      PHE  32  21.509  13.175   8.439
  252    HE2  PHE  32           HE2      PHE  32  24.282  16.430   8.825
  253    HZ   PHE  32           HZ       PHE  32  23.132  14.462   9.802
  254    H    TRP  33           HN       TRP  33  23.942  15.408   1.674
  255    HA   TRP  33           HA       TRP  33  21.692  16.253   0.011
  256   1HB   TRP  33           HB2      TRP  33  24.655  15.910  -0.406
  257   2HB   TRP  33           HB1      TRP  33  23.598  16.241  -1.776
  258    HD1  TRP  33           HD1      TRP  33  22.625  17.784   1.500
  259    HE1  TRP  33           HE1      TRP  33  23.028  20.319   1.431
  260    HE3  TRP  33           HE3      TRP  33  25.281  18.109  -2.838
  261    HZ2  TRP  33           HZ2      TRP  33  24.338  22.245  -0.248
  262    HZ3  TRP  33           HZ3      TRP  33  26.100  20.302  -3.651
  263    HH2  TRP  33           HH2      TRP  33  25.632  22.369  -2.363

  No H/Q in entry =         263
  Start of MODEL   14
    1    H1   ASN   1           HT3      ASN   1  31.037  -6.725 -37.512
    2    H2   ASN   1           HT2      ASN   1  29.478  -7.397 -37.444
    3    H3   ASN   1           HT1      ASN   1  30.646  -7.832 -36.289
    4    HA   ASN   1           HA       ASN   1  30.462  -9.618 -37.837
    5   1HB   ASN   1           HB2      ASN   1  31.072  -7.529 -39.951
    6   2HB   ASN   1           HB1      ASN   1  30.804  -9.250 -40.229
    7   1HD2  ASN   1          1HD2      ASN   1  28.664  -8.958 -37.910
    8   2HD2  ASN   1          2HD2      ASN   1  27.304  -8.377 -38.743
    9    H    GLU   2           HN       GLU   2  32.568  -7.535 -36.579
   10    HA   GLU   2           HA       GLU   2  34.853  -9.278 -37.107
   11   1HB   GLU   2           HB2      GLU   2  34.760  -7.630 -39.067
   12   2HB   GLU   2           HB1      GLU   2  35.142  -6.371 -37.891
   13   1HG   GLU   2           HG2      GLU   2  37.191  -7.569 -37.249
   14   2HG   GLU   2           HG1      GLU   2  36.810  -8.852 -38.399
   15    H    LEU   3           HN       LEU   3  33.225  -6.815 -35.370
   16    HA   LEU   3           HA       LEU   3  35.509  -6.158 -33.638
   17   1HB   LEU   3           HB2      LEU   3  32.554  -5.494 -33.395
   18   2HB   LEU   3           HB1      LEU   3  33.813  -4.877 -32.331
   19    HG   LEU   3           HG       LEU   3  33.292  -3.199 -34.014
   20   1HD1  LEU   3          3HD1      LEU   3  35.759  -3.798 -33.315
   21   2HD1  LEU   3          2HD1      LEU   3  35.905  -4.314 -34.997
   22   3HD1  LEU   3          1HD1      LEU   3  35.467  -2.649 -34.619
   23   1HD2  LEU   3          3HD2      LEU   3  32.578  -5.109 -35.704
   24   2HD2  LEU   3          2HD2      LEU   3  33.188  -3.571 -36.307
   25   3HD2  LEU   3          1HD2      LEU   3  34.252  -4.972 -36.245
   26    H    ASP   4           HN       ASP   4  36.173  -7.706 -32.249
   27    HA   ASP   4           HA       ASP   4  34.167  -8.967 -30.461
   28   1HB   ASP   4           HB2      ASP   4  36.147 -10.529 -32.151
   29   2HB   ASP   4           HB1      ASP   4  35.197 -11.214 -30.832
   30    H    VAL   5           HN       VAL   5  35.776  -7.005 -29.614
   31    HA   VAL   5           HA       VAL   5  37.996  -8.378 -28.144
   32    HB   VAL   5           HB       VAL   5  38.872  -5.885 -28.087
   33   1HG1  VAL   5          3HG1      VAL   5  38.970  -7.739 -30.473
   34   2HG1  VAL   5          2HG1      VAL   5  39.945  -6.272 -30.376
   35   3HG1  VAL   5          1HG1      VAL   5  40.169  -7.559 -29.191
   36   1HG2  VAL   5          3HG2      VAL   5  36.719  -5.062 -29.149
   37   2HG2  VAL   5          2HG2      VAL   5  38.196  -4.529 -29.951
   38   3HG2  VAL   5          1HG2      VAL   5  37.245  -5.846 -30.639
   39    HA   PRO   6           HA       PRO   6  35.849  -7.059 -24.485
   40   1HB   PRO   6           HB2      PRO   6  37.924  -6.706 -22.716
   41   2HB   PRO   6           HB1      PRO   6  37.373  -8.303 -23.256
   42   1HG   PRO   6           HG2      PRO   6  39.698  -6.688 -24.209
   43   2HG   PRO   6           HG1      PRO   6  39.595  -8.429 -23.885
   44   1HD   PRO   6           HD2      PRO   6  39.456  -7.399 -26.412
   45   2HD   PRO   6           HD1      PRO   6  38.610  -8.889 -25.942
   46    H    GLU   7           HN       GLU   7  36.283  -4.938 -26.371
   47    HA   GLU   7           HA       GLU   7  37.570  -2.651 -25.322
   48   1HB   GLU   7           HB2      GLU   7  35.767  -3.268 -27.493
   49   2HB   GLU   7           HB1      GLU   7  35.184  -1.805 -26.709
   50   1HG   GLU   7           HG2      GLU   7  37.427  -0.790 -26.940
   51   2HG   GLU   7           HG1      GLU   7  38.006  -2.255 -27.735
   52    H    GLN   8           HN       GLN   8  34.578  -4.166 -24.432
   53    HA   GLN   8           HA       GLN   8  33.757  -1.844 -22.776
   54   1HB   GLN   8           HB2      GLN   8  32.274  -4.455 -22.910
   55   2HB   GLN   8           HB1      GLN   8  31.654  -2.827 -22.675
   56   1HG   GLN   8           HG2      GLN   8  32.372  -2.291 -25.029
   57   2HG   GLN   8           HG1      GLN   8  32.743  -4.004 -25.236
   58   1HE2  GLN   8          1HE2      GLN   8  30.122  -1.669 -24.929
   59   2HE2  GLN   8          2HE2      GLN   8  28.864  -2.758 -25.266
   60    H    VAL   9           HN       VAL   9  34.209  -5.358 -22.300
   61    HA   VAL   9           HA       VAL   9  33.990  -5.470 -19.541
   62    HB   VAL   9           HB       VAL   9  35.996  -6.992 -21.232
   63   1HG1  VAL   9          1HG1      VAL   9  34.843  -7.433 -18.468
   64   2HG1  VAL   9          3HG1      VAL   9  35.605  -8.724 -19.397
   65   3HG1  VAL   9          2HG1      VAL   9  36.543  -7.308 -18.922
   66   1HG2  VAL   9          1HG2      VAL   9  33.104  -7.539 -20.490
   67   2HG2  VAL   9          3HG2      VAL   9  33.737  -7.240 -22.109
   68   3HG2  VAL   9          2HG2      VAL   9  34.172  -8.718 -21.251
   69    H    ASP  10           HN       ASP  10  36.640  -4.061 -21.365
   70    HA   ASP  10           HA       ASP  10  38.528  -4.125 -19.177
   71   1HB   ASP  10           HB2      ASP  10  39.709  -2.289 -20.383
   72   2HB   ASP  10           HB1      ASP  10  39.349  -3.663 -21.425
   73    H    LYS  11           HN       LYS  11  36.670  -1.350 -20.435
   74    HA   LYS  11           HA       LYS  11  37.013   0.529 -18.474
   75   1HB   LYS  11           HB2      LYS  11  34.393  -0.280 -19.768
   76   2HB   LYS  11           HB1      LYS  11  34.523   1.112 -18.705
   77   1HG   LYS  11           HG2      LYS  11  34.978   2.238 -20.658
   78   2HG   LYS  11           HG1      LYS  11  36.609   1.651 -20.387
   79   1HD   LYS  11           HD2      LYS  11  36.327   0.888 -22.552
   80   2HD   LYS  11           HD1      LYS  11  35.655  -0.499 -21.698
   81   1HE   LYS  11           HE2      LYS  11  34.188   0.279 -23.556
   82   2HE   LYS  11           HE1      LYS  11  33.391   0.376 -21.982
   83   1HZ   LYS  11           HZ1      LYS  11  34.844   2.683 -23.122
   84   2HZ   LYS  11           HZ3      LYS  11  33.228   2.375 -23.534
   85   3HZ   LYS  11           HZ2      LYS  11  33.649   2.672 -21.915
   86    H    LEU  12           HN       LEU  12  34.976  -2.363 -18.108
   87    HA   LEU  12           HA       LEU  12  34.048  -1.707 -15.473
   88   1HB   LEU  12           HB2      LEU  12  34.155  -4.169 -17.168
   89   2HB   LEU  12           HB1      LEU  12  33.896  -4.393 -15.443
   90    HG   LEU  12           HG       LEU  12  31.785  -4.179 -16.855
   91   1HD1  LEU  12          3HD1      LEU  12  32.108  -3.546 -14.298
   92   2HD1  LEU  12          2HD1      LEU  12  31.821  -1.908 -14.882
   93   3HD1  LEU  12          1HD1      LEU  12  30.607  -3.158 -15.133
   94   1HD2  LEU  12          1HD2      LEU  12  32.918  -2.238 -18.206
   95   2HD2  LEU  12          3HD2      LEU  12  31.193  -2.142 -17.854
   96   3HD2  LEU  12          2HD2      LEU  12  32.338  -1.210 -16.889
   97    H    ILE  13           HN       ILE  13  36.797  -3.649 -16.658
   98    HA   ILE  13           HA       ILE  13  37.798  -4.388 -14.096
   99    HB   ILE  13           HB       ILE  13  39.247  -3.856 -16.710
  100   1HG1  ILE  13          2HG1      ILE  13  38.531  -6.456 -15.314
  101   2HG1  ILE  13          1HG1      ILE  13  37.567  -5.737 -16.603
  102   1HG2  ILE  13          2HG2      ILE  13  40.227  -4.972 -14.071
  103   2HG2  ILE  13          1HG2      ILE  13  41.068  -5.264 -15.592
  104   3HG2  ILE  13          3HG2      ILE  13  40.893  -3.619 -14.985
  105   1HD1  ILE  13          2HD1      ILE  13  39.735  -5.742 -17.994
  106   2HD1  ILE  13          1HD1      ILE  13  40.380  -6.826 -16.762
  107   3HD1  ILE  13          3HD1      ILE  13  38.969  -7.303 -17.705
  108    H    GLN  14           HN       GLN  14  38.696  -1.624 -16.194
  109    HA   GLN  14           HA       GLN  14  40.415  -0.331 -14.353
  110   1HB   GLN  14           HB2      GLN  14  38.654   0.651 -16.601
  111   2HB   GLN  14           HB1      GLN  14  39.572   1.790 -15.621
  112   1HG   GLN  14           HG2      GLN  14  40.869  -0.604 -16.932
  113   2HG   GLN  14           HG1      GLN  14  40.721   0.952 -17.753
  114   1HE2  GLN  14          1HE2      GLN  14  42.827  -0.824 -15.852
  115   2HE2  GLN  14          2HE2      GLN  14  43.725   0.450 -15.181
  116    H    GLN  15           HN       GLN  15  36.945   0.252 -14.955
  117    HA   GLN  15           HA       GLN  15  36.496   2.095 -12.860
  118   1HB   GLN  15           HB2      GLN  15  34.713   0.031 -14.150
  119   2HB   GLN  15           HB1      GLN  15  34.107   1.112 -12.905
  120   1HG   GLN  15           HG2      GLN  15  35.498   2.069 -15.420
  121   2HG   GLN  15           HG1      GLN  15  33.746   1.937 -15.266
  122   1HE2  GLN  15          1HE2      GLN  15  32.672   3.377 -13.682
  123   2HE2  GLN  15          2HE2      GLN  15  33.450   4.782 -13.134
  124    H    ALA  16           HN       ALA  16  35.855  -1.445 -12.740
  125    HA   ALA  16           HA       ALA  16  35.397  -1.524  -9.932
  126   1HB   ALA  16           HB2      ALA  16  34.952  -3.385 -11.609
  127   2HB   ALA  16           HB1      ALA  16  36.679  -3.741 -11.547
  128   3HB   ALA  16           HB3      ALA  16  35.694  -3.899 -10.093
  129    H    THR  17           HN       THR  17  38.387  -2.153 -11.778
  130    HA   THR  17           HA       THR  17  40.123  -2.629  -9.601
  131    HB   THR  17           HB       THR  17  40.678  -1.183 -12.208
  132    HG1  THR  17           HG1      THR  17  41.091  -3.845 -11.328
  133   1HG2  THR  17          3HG2      THR  17  42.520  -2.175 -10.031
  134   2HG2  THR  17          2HG2      THR  17  43.072  -1.893 -11.683
  135   3HG2  THR  17          1HG2      THR  17  42.433  -0.555 -10.726
  136    H    SER  18           HN       SER  18  39.605   0.499 -11.264
  137    HA   SER  18           HA       SER  18  41.011   2.175  -9.566
  138   1HB   SER  18           HB2      SER  18  39.081   3.863 -10.073
  139   2HB   SER  18           HB1      SER  18  40.025   3.232 -11.416
  140    HG   SER  18           HG       SER  18  38.313   2.240 -12.117
  141    H    ILE  19           HN       ILE  19  37.435   2.112  -9.145
  142    HA   ILE  19           HA       ILE  19  37.184   3.064  -6.650
  143    HB   ILE  19           HB       ILE  19  35.762   0.909  -8.186
  144   1HG1  ILE  19          2HG1      ILE  19  33.887   2.560  -7.965
  145   2HG1  ILE  19          1HG1      ILE  19  34.972   3.616  -7.068
  146   1HG2  ILE  19          2HG2      ILE  19  35.124   1.643  -5.322
  147   2HG2  ILE  19          1HG2      ILE  19  33.988   0.855  -6.404
  148   3HG2  ILE  19          3HG2      ILE  19  35.479   0.036  -5.951
  149   1HD1  ILE  19          1HD1      ILE  19  35.480   2.625  -9.888
  150   2HD1  ILE  19          3HD1      ILE  19  34.836   4.214  -9.480
  151   3HD1  ILE  19          2HD1      ILE  19  36.472   3.777  -8.988
  152    H    GLU  20           HN       GLU  20  37.933  -0.420  -7.227
  153    HA   GLU  20           HA       GLU  20  37.900  -1.315  -4.600
  154   1HB   GLU  20           HB2      GLU  20  39.730  -2.018  -6.892
  155   2HB   GLU  20           HB1      GLU  20  39.925  -2.791  -5.321
  156   1HG   GLU  20           HG2      GLU  20  37.613  -3.577  -5.382
  157   2HG   GLU  20           HG1      GLU  20  37.344  -2.740  -6.911
  158    H    ARG  21           HN       ARG  21  40.841   0.057  -6.152
  159    HA   ARG  21           HA       ARG  21  42.120   0.279  -3.532
  160   1HB   ARG  21           HB2      ARG  21  43.155   1.448  -6.113
  161   2HB   ARG  21           HB1      ARG  21  44.075   0.936  -4.702
  162   1HG   ARG  21           HG2      ARG  21  42.493  -0.925  -6.503
  163   2HG   ARG  21           HG1      ARG  21  44.236  -0.692  -6.577
  164   1HD   ARG  21           HD2      ARG  21  42.641  -1.841  -4.275
  165   2HD   ARG  21           HD1      ARG  21  43.845  -2.664  -5.261
  166    HE   ARG  21           HE       ARG  21  45.031  -0.380  -3.984
  167   1HH1  ARG  21          1HH1      ARG  21  46.927  -1.345  -2.957
  168   2HH1  ARG  21          2HH1      ARG  21  46.624  -2.615  -1.819
  169   1HH2  ARG  21          1HH2      ARG  21  43.294  -2.980  -2.711
  170   2HH2  ARG  21          2HH2      ARG  21  44.567  -3.541  -1.680
  171    H    LEU  22           HN       LEU  22  40.242   2.341  -5.591
  172    HA   LEU  22           HA       LEU  22  41.260   4.812  -4.357
  173   1HB   LEU  22           HB2      LEU  22  39.303   4.113  -6.521
  174   2HB   LEU  22           HB1      LEU  22  39.134   5.685  -5.740
  175    HG   LEU  22           HG       LEU  22  41.478   6.221  -6.277
  176   1HD1  LEU  22          3HD1      LEU  22  41.479   3.525  -7.660
  177   2HD1  LEU  22          2HD1      LEU  22  42.774   4.714  -7.746
  178   3HD1  LEU  22          1HD1      LEU  22  42.396   3.937  -6.212
  179   1HD2  LEU  22          1HD2      LEU  22  39.554   5.443  -8.449
  180   2HD2  LEU  22          3HD2      LEU  22  40.153   7.036  -8.004
  181   3HD2  LEU  22          2HD2      LEU  22  41.179   5.940  -8.918
  182    H    CYS  23           HN       CYS  23  38.425   2.714  -4.033
  183    HA   CYS  23           HA       CYS  23  37.192   4.617  -2.111
  184   1HB   CYS  23           HB2      CYS  23  36.257   2.065  -3.397
  185   2HB   CYS  23           HB1      CYS  23  35.357   2.841  -2.108
  186    H    GLN  24           HN       GLN  24  39.100   1.684  -2.002
  187    HA   GLN  24           HA       GLN  24  38.109   0.728   0.521
  188   1HB   GLN  24           HB2      GLN  24  40.611   0.293  -1.097
  189   2HB   GLN  24           HB1      GLN  24  40.541  -0.310   0.557
  190   1HG   GLN  24           HG2      GLN  24  38.632  -1.680   0.070
  191   2HG   GLN  24           HG1      GLN  24  38.407  -0.916  -1.502
  192   1HE2  GLN  24          1HE2      GLN  24  39.135  -3.821  -0.605
  193   2HE2  GLN  24          2HE2      GLN  24  40.467  -4.204  -1.584
  194    H    HIS  25           HN       HIS  25  39.973   3.468  -0.300
  195    HA   HIS  25           HA       HIS  25  41.237   3.626   2.390
  196   1HB   HIS  25           HB2      HIS  25  41.503   5.327  -0.101
  197   2HB   HIS  25           HB1      HIS  25  42.323   5.678   1.420
  198    HD1  HIS  25           HD1      HIS  25  44.704   5.147   0.670
  199    HD2  HIS  25           HD2      HIS  25  42.057   2.003  -0.037
  200    HE1  HIS  25           HE1      HIS  25  46.117   3.153   0.006
  201    H    TYR  26           HN       TYR  26  38.496   4.909   0.651
  202    HA   TYR  26           HA       TYR  26  38.220   7.156   2.577
  203   1HB   TYR  26           HB2      TYR  26  36.780   6.427   0.021
  204   2HB   TYR  26           HB1      TYR  26  36.262   7.737   1.068
  205    HD1  TYR  26           HD1      TYR  26  38.137   7.038  -1.770
  206    HD2  TYR  26           HD2      TYR  26  38.339   9.336   1.853
  207    HE1  TYR  26           HE1      TYR  26  39.813   8.535  -2.815
  208    HE2  TYR  26           HE2      TYR  26  40.011  10.833   0.808
  209    HH   TYR  26           HH       TYR  26  40.623  10.871  -2.519
  210    H    ILE  27           HN       ILE  27  35.615   7.488   2.738
  211    HA   ILE  27           HA       ILE  27  34.735   5.277   4.503
  212    HB   ILE  27           HB       ILE  27  33.646   8.054   3.969
  213   1HG1  ILE  27          2HG1      ILE  27  34.292   8.389   6.350
  214   2HG1  ILE  27          1HG1      ILE  27  34.932   6.748   6.390
  215   1HG2  ILE  27          3HG2      ILE  27  32.556   5.812   5.684
  216   2HG2  ILE  27          2HG2      ILE  27  32.144   7.504   5.963
  217   3HG2  ILE  27          1HG2      ILE  27  31.710   6.731   4.439
  218   1HD1  ILE  27          3HD1      ILE  27  35.907   8.639   4.264
  219   2HD1  ILE  27          2HD1      ILE  27  36.543   8.781   5.901
  220   3HD1  ILE  27          1HD1      ILE  27  36.737   7.273   5.012
  221    H    GLY  28           HN       GLY  28  32.573   4.364   4.304
  222   1HA   GLY  28           HA1      GLY  28  30.630   3.656   3.131
  223   2HA   GLY  28           HA2      GLY  28  31.868   3.117   2.001
  224    H    TRP  29           HN       TRP  29  30.773   6.433   2.791
  225    HA   TRP  29           HA       TRP  29  29.303   6.769   0.330
  226   1HB   TRP  29           HB2      TRP  29  28.905   8.232   2.267
  227   2HB   TRP  29           HB1      TRP  29  30.557   8.840   2.163
  228    HD1  TRP  29           HD1      TRP  29  27.667   8.421  -0.383
  229    HE1  TRP  29           HE1      TRP  29  27.502  10.579  -1.771
  230    HE3  TRP  29           HE3      TRP  29  31.432  11.118   1.759
  231    HZ2  TRP  29           HZ2      TRP  29  28.803  13.133  -1.948
  232    HZ3  TRP  29           HZ3      TRP  29  31.951  13.407   0.964
  233    HH2  TRP  29           HH2      TRP  29  30.642  14.417  -0.884
  234    H    CYS  30           HN       CYS  30  30.927   5.857  -1.180
  235    HA   CYS  30           HA       CYS  30  33.326   7.542  -1.649
  236   1HB   CYS  30           HB2      CYS  30  33.229   4.921  -1.551
  237   2HB   CYS  30           HB1      CYS  30  32.652   5.059  -3.210
  238    HA   PRO  31           HA       PRO  31  30.624   9.206  -4.979
  239   1HB   PRO  31           HB2      PRO  31  32.013  11.522  -5.460
  240   2HB   PRO  31           HB1      PRO  31  30.863  11.345  -4.121
  241   1HG   PRO  31           HG2      PRO  31  33.836  11.273  -4.079
  242   2HG   PRO  31           HG1      PRO  31  32.704  11.916  -2.877
  243   1HD   PRO  31           HD2      PRO  31  33.992   9.456  -2.673
  244   2HD   PRO  31           HD1      PRO  31  32.495   9.877  -1.813
  245    H    PHE  32           HN       PHE  32  32.535   7.192  -5.464
  246    HA   PHE  32           HA       PHE  32  34.003   8.135  -7.905
  247   1HB   PHE  32           HB2      PHE  32  34.399   5.742  -6.088
  248   2HB   PHE  32           HB1      PHE  32  35.226   5.922  -7.635
  249    HD1  PHE  32           HD1      PHE  32  34.513   7.943  -4.536
  250    HD2  PHE  32           HD2      PHE  32  37.334   6.947  -7.621
  251    HE1  PHE  32           HE1      PHE  32  36.204   9.390  -3.456
  252    HE2  PHE  32           HE2      PHE  32  39.024   8.401  -6.533
  253    HZ   PHE  32           HZ       PHE  32  38.459   9.622  -4.455
  254    H    TRP  33           HN       TRP  33  31.805   5.621  -6.669
  255    HA   TRP  33           HA       TRP  33  31.519   4.038  -8.958
  256   1HB   TRP  33           HB2      TRP  33  29.419   4.934  -6.967
  257   2HB   TRP  33           HB1      TRP  33  29.129   3.696  -8.188
  258    HD1  TRP  33           HD1      TRP  33  31.488   1.869  -8.138
  259    HE1  TRP  33           HE1      TRP  33  32.236   0.569  -6.053
  260    HE3  TRP  33           HE3      TRP  33  29.275   4.696  -4.504
  261    HZ2  TRP  33           HZ2      TRP  33  31.924   0.696  -3.205
  262    HZ3  TRP  33           HZ3      TRP  33  29.513   4.080  -2.115
  263    HH2  TRP  33           HH2      TRP  33  30.833   2.086  -1.462

  No H/Q in entry =         263
  Start of MODEL   15
    1    H1   ASN   1           HT1      ASN   1  67.103 -10.594 -30.574
    2    H2   ASN   1           HT3      ASN   1  67.889 -11.422 -29.320
    3    H3   ASN   1           HT2      ASN   1  67.343 -12.272 -30.686
    4    HA   ASN   1           HA       ASN   1  65.440 -12.680 -29.664
    5   1HB   ASN   1           HB2      ASN   1  66.642 -10.844 -27.584
    6   2HB   ASN   1           HB1      ASN   1  65.054 -11.583 -27.370
    7   1HD2  ASN   1          1HD2      ASN   1  65.149 -13.523 -26.245
    8   2HD2  ASN   1          2HD2      ASN   1  66.460 -14.601 -26.260
    9    H    GLU   2           HN       GLU   2  66.030  -9.991 -31.246
   10    HA   GLU   2           HA       GLU   2  63.953  -8.186 -30.375
   11   1HB   GLU   2           HB2      GLU   2  65.175  -8.418 -33.142
   12   2HB   GLU   2           HB1      GLU   2  64.355  -7.013 -32.462
   13   1HG   GLU   2           HG2      GLU   2  66.110  -6.953 -30.661
   14   2HG   GLU   2           HG1      GLU   2  66.968  -8.226 -31.530
   15    H    LEU   3           HN       LEU   3  63.415  -8.570 -33.645
   16    HA   LEU   3           HA       LEU   3  61.450  -9.201 -34.774
   17   1HB   LEU   3           HB2      LEU   3  61.749 -11.733 -33.134
   18   2HB   LEU   3           HB1      LEU   3  60.962 -11.567 -34.692
   19    HG   LEU   3           HG       LEU   3  63.019 -12.479 -35.311
   20   1HD1  LEU   3          2HD1      LEU   3  62.595 -10.291 -36.481
   21   2HD1  LEU   3          1HD1      LEU   3  63.705  -9.530 -35.340
   22   3HD1  LEU   3          3HD1      LEU   3  64.288 -10.778 -36.440
   23   1HD2  LEU   3          1HD2      LEU   3  63.959 -12.172 -32.915
   24   2HD2  LEU   3          3HD2      LEU   3  65.101 -12.154 -34.254
   25   3HD2  LEU   3          2HD2      LEU   3  64.600 -10.643 -33.511
   26    H    ASP   4           HN       ASP   4  59.907  -7.789 -33.875
   27    HA   ASP   4           HA       ASP   4  58.680  -8.223 -31.303
   28   1HB   ASP   4           HB2      ASP   4  57.739  -6.655 -33.724
   29   2HB   ASP   4           HB1      ASP   4  56.964  -6.599 -32.140
   30    H    VAL   5           HN       VAL   5  57.303  -9.844 -30.808
   31    HA   VAL   5           HA       VAL   5  55.485 -10.918 -32.933
   32    HB   VAL   5           HB       VAL   5  55.772 -13.076 -31.351
   33   1HG1  VAL   5          1HG1      VAL   5  57.677 -12.159 -33.515
   34   2HG1  VAL   5          3HG1      VAL   5  57.668 -13.798 -32.864
   35   3HG1  VAL   5          2HG1      VAL   5  56.248 -13.176 -33.704
   36   1HG2  VAL   5          1HG2      VAL   5  57.351 -11.680 -29.875
   37   2HG2  VAL   5          3HG2      VAL   5  57.919 -13.278 -30.357
   38   3HG2  VAL   5          2HG2      VAL   5  58.523 -11.840 -31.181
   39    HA   PRO   6           HA       PRO   6  52.274 -10.056 -30.003
   40   1HB   PRO   6           HB2      PRO   6  50.446 -12.036 -30.545
   41   2HB   PRO   6           HB1      PRO   6  50.738 -10.661 -31.629
   42   1HG   PRO   6           HG2      PRO   6  51.781 -13.454 -31.805
   43   2HG   PRO   6           HG1      PRO   6  51.177 -12.395 -33.093
   44   1HD   PRO   6           HD2      PRO   6  53.847 -12.777 -32.638
   45   2HD   PRO   6           HD1      PRO   6  53.196 -11.257 -33.288
   46    H    GLU   7           HN       GLU   7  54.506 -11.910 -29.111
   47    HA   GLU   7           HA       GLU   7  53.448 -14.069 -27.587
   48   1HB   GLU   7           HB2      GLU   7  55.538 -13.781 -26.195
   49   2HB   GLU   7           HB1      GLU   7  55.840 -13.911 -27.928
   50   1HG   GLU   7           HG2      GLU   7  55.904 -11.417 -28.063
   51   2HG   GLU   7           HG1      GLU   7  55.731 -11.350 -26.309
   52    H    GLN   8           HN       GLN   8  53.812 -10.641 -26.903
   53    HA   GLN   8           HA       GLN   8  53.116 -10.709 -24.136
   54   1HB   GLN   8           HB2      GLN   8  52.292  -8.444 -25.944
   55   2HB   GLN   8           HB1      GLN   8  52.884  -8.381 -24.287
   56   1HG   GLN   8           HG2      GLN   8  55.093  -9.303 -25.189
   57   2HG   GLN   8           HG1      GLN   8  54.466  -8.939 -26.797
   58   1HE2  GLN   8          1HE2      GLN   8  55.118  -6.919 -27.525
   59   2HE2  GLN   8          2HE2      GLN   8  55.407  -5.569 -26.538
   60    H    VAL   9           HN       VAL   9  51.049  -9.956 -26.954
   61    HA   VAL   9           HA       VAL   9  48.572  -9.815 -25.706
   62    HB   VAL   9           HB       VAL   9  49.344 -11.025 -28.376
   63   1HG1  VAL   9          1HG1      VAL   9  46.612 -10.560 -27.167
   64   2HG1  VAL   9          3HG1      VAL   9  46.868 -10.643 -28.912
   65   3HG1  VAL   9          2HG1      VAL   9  47.243 -12.036 -27.899
   66   1HG2  VAL   9          1HG2      VAL   9  49.744  -8.602 -28.051
   67   2HG2  VAL   9          3HG2      VAL   9  48.469  -8.889 -29.235
   68   3HG2  VAL   9          2HG2      VAL   9  48.054  -8.391 -27.596
   69    H    ASP  10           HN       ASP  10  50.581 -12.637 -26.151
   70    HA   ASP  10           HA       ASP  10  48.549 -14.632 -25.784
   71   1HB   ASP  10           HB2      ASP  10  51.003 -14.961 -26.531
   72   2HB   ASP  10           HB1      ASP  10  51.397 -14.922 -24.812
   73    H    LYS  11           HN       LYS  11  51.023 -13.659 -23.415
   74    HA   LYS  11           HA       LYS  11  50.109 -14.707 -21.085
   75   1HB   LYS  11           HB2      LYS  11  51.088 -11.876 -21.527
   76   2HB   LYS  11           HB1      LYS  11  50.744 -12.495 -19.917
   77   1HG   LYS  11           HG2      LYS  11  52.946 -13.149 -19.959
   78   2HG   LYS  11           HG1      LYS  11  52.337 -14.521 -20.867
   79   1HD   LYS  11           HD2      LYS  11  54.013 -13.801 -22.306
   80   2HD   LYS  11           HD1      LYS  11  52.652 -12.883 -22.944
   81   1HE   LYS  11           HE2      LYS  11  54.683 -11.473 -22.621
   82   2HE   LYS  11           HE1      LYS  11  53.324 -10.920 -21.642
   83   1HZ   LYS  11           HZ1      LYS  11  55.379 -12.780 -20.603
   84   2HZ   LYS  11           HZ3      LYS  11  55.550 -11.096 -20.497
   85   3HZ   LYS  11           HZ2      LYS  11  54.249 -11.867 -19.722
   86    H    LEU  12           HN       LEU  12  48.511 -12.014 -22.742
   87    HA   LEU  12           HA       LEU  12  46.634 -11.454 -20.655
   88   1HB   LEU  12           HB2      LEU  12  46.815 -10.877 -23.582
   89   2HB   LEU  12           HB1      LEU  12  45.227 -10.734 -22.846
   90    HG   LEU  12           HG       LEU  12  46.682  -8.612 -22.922
   91   1HD1  LEU  12          3HD1      LEU  12  44.654  -9.069 -21.392
   92   2HD1  LEU  12          2HD1      LEU  12  45.837  -9.353 -20.118
   93   3HD1  LEU  12          1HD1      LEU  12  45.757  -7.784 -20.911
   94   1HD2  LEU  12          2HD2      LEU  12  48.711 -10.038 -22.025
   95   2HD2  LEU  12          1HD2      LEU  12  48.512  -8.369 -21.501
   96   3HD2  LEU  12          3HD2      LEU  12  48.014  -9.686 -20.437
   97    H    ILE  13           HN       ILE  13  46.400 -13.534 -23.544
   98    HA   ILE  13           HA       ILE  13  43.812 -14.552 -23.093
   99    HB   ILE  13           HB       ILE  13  46.279 -15.951 -24.175
  100   1HG1  ILE  13          2HG1      ILE  13  43.838 -14.861 -25.606
  101   2HG1  ILE  13          1HG1      ILE  13  45.329 -13.943 -25.397
  102   1HG2  ILE  13          1HG2      ILE  13  43.385 -16.832 -24.038
  103   2HG2  ILE  13          3HG2      ILE  13  44.532 -17.518 -25.189
  104   3HG2  ILE  13          2HG2      ILE  13  44.807 -17.699 -23.457
  105   1HD1  ILE  13          1HD1      ILE  13  45.190 -16.668 -26.716
  106   2HD1  ILE  13          3HD1      ILE  13  45.191 -15.143 -27.600
  107   3HD1  ILE  13          2HD1      ILE  13  46.592 -15.603 -26.634
  108    H    GLN  14           HN       GLN  14  46.929 -15.769 -21.853
  109    HA   GLN  14           HA       GLN  14  45.891 -17.843 -20.224
  110   1HB   GLN  14           HB2      GLN  14  48.362 -16.115 -20.014
  111   2HB   GLN  14           HB1      GLN  14  48.026 -17.412 -18.871
  112   1HG   GLN  14           HG2      GLN  14  48.041 -17.855 -21.860
  113   2HG   GLN  14           HG1      GLN  14  49.486 -18.048 -20.868
  114   1HE2  GLN  14          1HE2      GLN  14  46.928 -19.788 -22.146
  115   2HE2  GLN  14          2HE2      GLN  14  46.895 -21.073 -21.036
  116    H    GLN  15           HN       GLN  15  46.632 -14.432 -19.385
  117    HA   GLN  15           HA       GLN  15  45.724 -14.582 -16.683
  118   1HB   GLN  15           HB2      GLN  15  45.902 -12.298 -18.654
  119   2HB   GLN  15           HB1      GLN  15  45.358 -12.056 -17.002
  120   1HG   GLN  15           HG2      GLN  15  47.503 -13.142 -16.225
  121   2HG   GLN  15           HG1      GLN  15  48.047 -13.114 -17.902
  122   1HE2  GLN  15          1HE2      GLN  15  46.959 -10.954 -15.252
  123   2HE2  GLN  15          2HE2      GLN  15  47.778  -9.582 -15.826
  124    H    ALA  16           HN       ALA  16  44.003 -13.206 -19.518
  125    HA   ALA  16           HA       ALA  16  41.490 -12.962 -18.235
  126   1HB   ALA  16           HB2      ALA  16  41.837 -13.678 -21.153
  127   2HB   ALA  16           HB3      ALA  16  42.181 -12.063 -20.531
  128   3HB   ALA  16           HB1      ALA  16  40.550 -12.724 -20.415
  129    H    THR  17           HN       THR  17  42.894 -15.692 -20.051
  130    HA   THR  17           HA       THR  17  40.637 -17.414 -19.936
  131    HB   THR  17           HB       THR  17  43.598 -18.072 -19.880
  132    HG1  THR  17           HG1      THR  17  41.653 -17.662 -21.853
  133   1HG2  THR  17          3HG2      THR  17  41.157 -19.821 -20.193
  134   2HG2  THR  17          2HG2      THR  17  42.751 -20.312 -20.764
  135   3HG2  THR  17          1HG2      THR  17  42.485 -20.006 -19.048
  136    H    SER  18           HN       SER  18  43.487 -17.386 -17.762
  137    HA   SER  18           HA       SER  18  42.667 -19.195 -15.849
  138   1HB   SER  18           HB2      SER  18  43.784 -17.451 -14.169
  139   2HB   SER  18           HB1      SER  18  44.756 -18.299 -15.367
  140    HG   SER  18           HG       SER  18  45.263 -16.315 -15.891
  141    H    ILE  19           HN       ILE  19  42.208 -15.733 -15.016
  142    HA   ILE  19           HA       ILE  19  40.406 -15.816 -13.062
  143    HB   ILE  19           HB       ILE  19  40.623 -14.030 -15.471
  144   1HG1  ILE  19          2HG1      ILE  19  41.070 -12.346 -13.663
  145   2HG1  ILE  19          1HG1      ILE  19  40.892 -13.638 -12.481
  146   1HG2  ILE  19          3HG2      ILE  19  38.377 -13.928 -13.446
  147   2HG2  ILE  19          2HG2      ILE  19  38.899 -12.501 -14.340
  148   3HG2  ILE  19          1HG2      ILE  19  38.258 -13.897 -15.204
  149   1HD1  ILE  19          2HD1      ILE  19  42.906 -13.646 -14.745
  150   2HD1  ILE  19          1HD1      ILE  19  43.266 -13.198 -13.075
  151   3HD1  ILE  19          3HD1      ILE  19  42.766 -14.850 -13.456
  152    H    GLU  20           HN       GLU  20  39.275 -16.101 -16.478
  153    HA   GLU  20           HA       GLU  20  36.551 -16.313 -16.011
  154   1HB   GLU  20           HB2      GLU  20  38.256 -17.885 -17.954
  155   2HB   GLU  20           HB1      GLU  20  36.494 -17.929 -17.965
  156   1HG   GLU  20           HG2      GLU  20  36.344 -15.584 -18.421
  157   2HG   GLU  20           HG1      GLU  20  38.061 -15.346 -18.098
  158    H    ARG  21           HN       ARG  21  38.724 -19.188 -16.060
  159    HA   ARG  21           HA       ARG  21  36.643 -20.767 -14.746
  160   1HB   ARG  21           HB2      ARG  21  39.483 -21.529 -15.456
  161   2HB   ARG  21           HB1      ARG  21  38.191 -22.638 -15.007
  162   1HG   ARG  21           HG2      ARG  21  37.869 -20.766 -17.358
  163   2HG   ARG  21           HG1      ARG  21  38.707 -22.304 -17.538
  164   1HD   ARG  21           HD2      ARG  21  36.681 -23.448 -16.581
  165   2HD   ARG  21           HD1      ARG  21  35.849 -21.894 -16.615
  166    HE   ARG  21           HE       ARG  21  35.645 -22.110 -18.959
  167   1HH1  ARG  21          1HH1      ARG  21  37.300 -22.507 -20.765
  168   2HH1  ARG  21          2HH1      ARG  21  37.804 -24.161 -20.881
  169   1HH2  ARG  21          1HH2      ARG  21  36.571 -25.033 -17.759
  170   2HH2  ARG  21          2HH2      ARG  21  37.391 -25.591 -19.179
  171    H    LEU  22           HN       LEU  22  39.321 -18.857 -13.691
  172    HA   LEU  22           HA       LEU  22  39.671 -20.387 -11.184
  173   1HB   LEU  22           HB2      LEU  22  41.025 -18.061 -12.503
  174   2HB   LEU  22           HB1      LEU  22  41.128 -18.157 -10.744
  175    HG   LEU  22           HG       LEU  22  42.035 -20.439 -10.913
  176   1HD1  LEU  22          2HD1      LEU  22  41.716 -19.957 -13.876
  177   2HD1  LEU  22          1HD1      LEU  22  42.718 -21.244 -13.215
  178   3HD1  LEU  22          3HD1      LEU  22  40.980 -21.235 -12.915
  179   1HD2  LEU  22          1HD2      LEU  22  43.383 -18.038 -11.693
  180   2HD2  LEU  22          3HD2      LEU  22  44.089 -19.504 -11.020
  181   3HD2  LEU  22          2HD2      LEU  22  43.966 -19.309 -12.766
  182    H    CYS  23           HN       CYS  23  38.010 -17.523 -12.321
  183    HA   CYS  23           HA       CYS  23  37.339 -16.714  -9.547
  184   1HB   CYS  23           HB2      CYS  23  36.838 -15.445 -12.237
  185   2HB   CYS  23           HB1      CYS  23  36.244 -14.781 -10.725
  186    H    GLN  24           HN       GLN  24  35.905 -18.660 -12.005
  187    HA   GLN  24           HA       GLN  24  33.154 -17.978 -11.504
  188   1HB   GLN  24           HB2      GLN  24  34.609 -20.284 -12.765
  189   2HB   GLN  24           HB1      GLN  24  32.910 -20.502 -12.353
  190   1HG   GLN  24           HG2      GLN  24  32.226 -18.719 -13.771
  191   2HG   GLN  24           HG1      GLN  24  33.875 -18.118 -13.941
  192   1HE2  GLN  24          1HE2      GLN  24  32.034 -19.004 -16.126
  193   2HE2  GLN  24          2HE2      GLN  24  32.835 -20.273 -16.919
  194    H    HIS  25           HN       HIS  25  35.497 -19.647  -9.635
  195    HA   HIS  25           HA       HIS  25  33.400 -21.037  -8.018
  196   1HB   HIS  25           HB2      HIS  25  36.387 -21.247  -7.615
  197   2HB   HIS  25           HB1      HIS  25  35.131 -22.395  -7.151
  198    HD1  HIS  25           HD1      HIS  25  33.928 -23.688  -9.167
  199    HD2  HIS  25           HD2      HIS  25  37.393 -21.611 -10.194
  200    HE1  HIS  25           HE1      HIS  25  34.647 -24.569 -11.431
  201    H    TYR  26           HN       TYR  26  34.913 -18.082  -8.096
  202    HA   TYR  26           HA       TYR  26  34.943 -17.801  -5.113
  203   1HB   TYR  26           HB2      TYR  26  36.397 -16.316  -7.311
  204   2HB   TYR  26           HB1      TYR  26  36.377 -15.798  -5.632
  205    HD1  TYR  26           HD1      TYR  26  37.999 -16.641  -4.143
  206    HD2  TYR  26           HD2      TYR  26  37.089 -18.798  -7.744
  207    HE1  TYR  26           HE1      TYR  26  39.827 -18.241  -3.645
  208    HE2  TYR  26           HE2      TYR  26  38.918 -20.399  -7.246
  209    HH   TYR  26           HH       TYR  26  41.275 -19.808  -4.856
  210    H    ILE  27           HN       ILE  27  34.545 -15.335  -4.576
  211    HA   ILE  27           HA       ILE  27  31.916 -14.630  -5.766
  212    HB   ILE  27           HB       ILE  27  33.424 -13.682  -3.310
  213   1HG1  ILE  27          2HG1      ILE  27  31.461 -14.685  -2.147
  214   2HG1  ILE  27          1HG1      ILE  27  30.831 -15.210  -3.707
  215   1HG2  ILE  27          1HG2      ILE  27  30.856 -12.672  -4.547
  216   2HG2  ILE  27          3HG2      ILE  27  31.218 -12.459  -2.835
  217   3HG2  ILE  27          2HG2      ILE  27  32.268 -11.736  -4.052
  218   1HD1  ILE  27          3HD1      ILE  27  33.633 -15.990  -2.943
  219   2HD1  ILE  27          2HD1      ILE  27  32.275 -16.862  -2.233
  220   3HD1  ILE  27          1HD1      ILE  27  32.480 -16.829  -3.983
  221    H    GLY  28           HN       GLY  28  31.576 -12.207  -6.161
  222   1HA   GLY  28           HA1      GLY  28  32.296 -10.092  -6.980
  223   2HA   GLY  28           HA2      GLY  28  32.965 -11.139  -8.228
  224    H    TRP  29           HN       TRP  29  33.998 -10.791  -4.831
  225    HA   TRP  29           HA       TRP  29  36.382  -9.273  -5.565
  226   1HB   TRP  29           HB2      TRP  29  35.532  -8.884  -3.360
  227   2HB   TRP  29           HB1      TRP  29  35.446 -10.609  -3.011
  228    HD1  TRP  29           HD1      TRP  29  38.067  -7.837  -3.616
  229    HE1  TRP  29           HE1      TRP  29  40.242  -8.514  -2.388
  230    HE3  TRP  29           HE3      TRP  29  36.746 -12.480  -1.950
  231    HZ2  TRP  29           HZ2      TRP  29  41.273 -10.717  -0.904
  232    HZ3  TRP  29           HZ3      TRP  29  38.341 -13.845  -0.633
  233    HH2  TRP  29           HH2      TRP  29  40.601 -12.970  -0.108
  234    H    CYS  30           HN       CYS  30  36.837 -11.035  -7.265
  235    HA   CYS  30           HA       CYS  30  37.839 -13.583  -6.342
  236   1HB   CYS  30           HB2      CYS  30  36.852 -13.165  -8.599
  237   2HB   CYS  30           HB1      CYS  30  38.283 -12.219  -9.005
  238    HA   PRO  31           HA       PRO  31  41.916 -11.839  -5.367
  239   1HB   PRO  31           HB2      PRO  31  43.172 -14.140  -4.569
  240   2HB   PRO  31           HB1      PRO  31  42.000 -13.276  -3.556
  241   1HG   PRO  31           HG2      PRO  31  41.627 -15.732  -5.200
  242   2HG   PRO  31           HG1      PRO  31  40.950 -15.322  -3.614
  243   1HD   PRO  31           HD2      PRO  31  39.546 -15.117  -5.995
  244   2HD   PRO  31           HD1      PRO  31  39.165 -14.182  -4.532
  245    H    PHE  32           HN       PHE  32  41.228 -12.764  -8.152
  246    HA   PHE  32           HA       PHE  32  43.991 -13.564  -9.046
  247   1HB   PHE  32           HB2      PHE  32  41.261 -14.365 -10.062
  248   2HB   PHE  32           HB1      PHE  32  42.646 -14.368 -11.151
  249    HD1  PHE  32           HD1      PHE  32  40.920 -16.159  -8.542
  250    HD2  PHE  32           HD2      PHE  32  44.727 -15.689 -10.477
  251    HE1  PHE  32           HE1      PHE  32  41.644 -18.358  -7.655
  252    HE2  PHE  32           HE2      PHE  32  45.450 -17.888  -9.588
  253    HZ   PHE  32           HZ       PHE  32  43.909 -19.223  -8.177
  254    H    TRP  33           HN       TRP  33  41.368 -11.339  -9.239
  255    HA   TRP  33           HA       TRP  33  41.980 -10.066 -11.740
  256   1HB   TRP  33           HB2      TRP  33  40.632  -9.153  -9.202
  257   2HB   TRP  33           HB1      TRP  33  40.815  -8.076 -10.581
  258    HD1  TRP  33           HD1      TRP  33  40.295 -11.610 -11.598
  259    HE1  TRP  33           HE1      TRP  33  37.906 -11.962 -12.450
  260    HE3  TRP  33           HE3      TRP  33  38.180  -7.244 -10.028
  261    HZ2  TRP  33           HZ2      TRP  33  35.389 -10.578 -12.438
  262    HZ3  TRP  33           HZ3      TRP  33  35.782  -6.790 -10.450
  263    HH2  TRP  33           HH2      TRP  33  34.384  -8.448 -11.652

  No H/Q in entry =         263
  Start of MODEL   16
    1    H1   ASN   1           HT1      ASN   1  29.523  24.164  11.302
    2    H2   ASN   1           HT3      ASN   1  29.016  25.226  10.081
    3    H3   ASN   1           HT2      ASN   1  27.865  24.397  11.016
    4    HA   ASN   1           HA       ASN   1  28.261  22.377   9.995
    5   1HB   ASN   1           HB2      ASN   1  27.180  24.066   8.492
    6   2HB   ASN   1           HB1      ASN   1  28.772  24.437   7.829
    7   1HD2  ASN   1          1HD2      ASN   1  28.130  23.606   5.693
    8   2HD2  ASN   1          2HD2      ASN   1  27.977  21.938   5.420
    9    H    GLU   2           HN       GLU   2  30.716  22.813  11.252
   10    HA   GLU   2           HA       GLU   2  32.904  22.833   9.359
   11   1HB   GLU   2           HB2      GLU   2  33.067  21.596  12.106
   12   2HB   GLU   2           HB1      GLU   2  34.309  22.473  11.214
   13   1HG   GLU   2           HG2      GLU   2  32.882  24.537  11.396
   14   2HG   GLU   2           HG1      GLU   2  31.800  23.632  12.455
   15    H    LEU   3           HN       LEU   3  30.700  20.417  10.475
   16    HA   LEU   3           HA       LEU   3  32.429  18.171   9.629
   17   1HB   LEU   3           HB2      LEU   3  29.506  18.088  10.439
   18   2HB   LEU   3           HB1      LEU   3  30.626  16.738  10.364
   19    HG   LEU   3           HG       LEU   3  30.472  17.275  12.670
   20   1HD1  LEU   3          1HD1      LEU   3  32.809  17.052  11.651
   21   2HD1  LEU   3          3HD1      LEU   3  32.933  18.803  11.826
   22   3HD1  LEU   3          2HD1      LEU   3  32.709  17.789  13.250
   23   1HD2  LEU   3          3HD2      LEU   3  29.578  19.721  12.024
   24   2HD2  LEU   3          2HD2      LEU   3  30.276  19.380  13.601
   25   3HD2  LEU   3          1HD2      LEU   3  31.252  20.156  12.362
   26    H    ASP   4           HN       ASP   4  30.480  16.532   8.424
   27    HA   ASP   4           HA       ASP   4  29.284  18.016   6.194
   28   1HB   ASP   4           HB2      ASP   4  31.511  16.021   5.682
   29   2HB   ASP   4           HB1      ASP   4  30.552  16.838   4.447
   30    H    VAL   5           HN       VAL   5  28.462  16.201   8.344
   31    HA   VAL   5           HA       VAL   5  27.368  13.917   6.743
   32    HB   VAL   5           HB       VAL   5  26.950  13.029   9.180
   33   1HG1  VAL   5          2HG1      VAL   5  28.589  12.090   7.547
   34   2HG1  VAL   5          1HG1      VAL   5  29.785  13.246   8.135
   35   3HG1  VAL   5          3HG1      VAL   5  29.157  12.000   9.214
   36   1HG2  VAL   5          2HG2      VAL   5  27.594  15.310  10.134
   37   2HG2  VAL   5          1HG2      VAL   5  28.374  13.915  10.880
   38   3HG2  VAL   5          3HG2      VAL   5  29.258  14.904   9.718
   39    HA   PRO   6           HA       PRO   6  23.363  15.737   7.397
   40   1HB   PRO   6           HB2      PRO   6  21.744  13.520   7.434
   41   2HB   PRO   6           HB1      PRO   6  22.499  14.140   5.952
   42   1HG   PRO   6           HG2      PRO   6  23.351  11.868   7.694
   43   2HG   PRO   6           HG1      PRO   6  23.332  11.984   5.925
   44   1HD   PRO   6           HD2      PRO   6  25.618  12.309   7.399
   45   2HD   PRO   6           HD1      PRO   6  25.353  13.130   5.844
   46    H    GLU   7           HN       GLU   7  25.055  14.616   9.793
   47    HA   GLU   7           HA       GLU   7  23.260  13.643  11.767
   48   1HB   GLU   7           HB2      GLU   7  25.998  14.338  11.632
   49   2HB   GLU   7           HB1      GLU   7  25.350  15.375  12.897
   50   1HG   GLU   7           HG2      GLU   7  24.304  13.296  13.917
   51   2HG   GLU   7           HG1      GLU   7  25.236  12.350  12.755
   52    H    GLN   8           HN       GLN   8  24.446  16.974  11.255
   53    HA   GLN   8           HA       GLN   8  22.759  18.251  13.121
   54   1HB   GLN   8           HB2      GLN   8  23.363  19.483  10.432
   55   2HB   GLN   8           HB1      GLN   8  23.250  20.263  12.008
   56   1HG   GLN   8           HG2      GLN   8  25.271  18.856  12.695
   57   2HG   GLN   8           HG1      GLN   8  25.457  18.478  10.982
   58   1HE2  GLN   8          1HE2      GLN   8  24.505  21.565  12.586
   59   2HE2  GLN   8          2HE2      GLN   8  25.755  22.481  11.893
   60    H    VAL   9           HN       VAL   9  22.172  17.810   9.621
   61    HA   VAL   9           HA       VAL   9  19.546  18.741   9.487
   62    HB   VAL   9           HB       VAL   9  20.845  16.403   8.056
   63   1HG1  VAL   9          3HG1      VAL   9  18.139  17.701   7.687
   64   2HG1  VAL   9          2HG1      VAL   9  18.952  16.851   6.370
   65   3HG1  VAL   9          1HG1      VAL   9  18.516  15.984   7.842
   66   1HG2  VAL   9          1HG2      VAL   9  20.333  19.309   7.357
   67   2HG2  VAL   9          3HG2      VAL   9  21.897  18.516   7.549
   68   3HG2  VAL   9          2HG2      VAL   9  20.862  18.106   6.181
   69    H    ASP  10           HN       ASP  10  20.731  15.769  10.939
   70    HA   ASP  10           HA       ASP  10  18.207  14.404  11.064
   71   1HB   ASP  10           HB2      ASP  10  20.591  13.491  11.584
   72   2HB   ASP  10           HB1      ASP  10  20.338  14.158  13.196
   73    H    LYS  11           HN       LYS  11  19.934  15.980  13.751
   74    HA   LYS  11           HA       LYS  11  18.060  16.151  15.702
   75   1HB   LYS  11           HB2      LYS  11  19.875  18.377  14.743
   76   2HB   LYS  11           HB1      LYS  11  18.856  18.567  16.164
   77   1HG   LYS  11           HG2      LYS  11  20.656  17.698  17.293
   78   2HG   LYS  11           HG1      LYS  11  20.042  16.150  16.742
   79   1HD   LYS  11           HD2      LYS  11  22.233  15.986  15.998
   80   2HD   LYS  11           HD1      LYS  11  21.492  16.712  14.573
   81   1HE   LYS  11           HE2      LYS  11  23.603  17.861  15.246
   82   2HE   LYS  11           HE1      LYS  11  22.208  18.939  15.296
   83   1HZ   LYS  11           HZ2      LYS  11  22.488  17.613  17.770
   84   2HZ   LYS  11           HZ1      LYS  11  23.966  18.341  17.356
   85   3HZ   LYS  11           HZ3      LYS  11  22.555  19.279  17.442
   86    H    LEU  12           HN       LEU  12  17.835  17.940  12.665
   87    HA   LEU  12           HA       LEU  12  15.626  19.588  13.482
   88   1HB   LEU  12           HB2      LEU  12  16.903  18.851  10.887
   89   2HB   LEU  12           HB1      LEU  12  15.265  19.474  10.809
   90    HG   LEU  12           HG       LEU  12  17.175  21.183  10.609
   91   1HD1  LEU  12          3HD1      LEU  12  14.710  21.637  11.264
   92   2HD1  LEU  12          2HD1      LEU  12  15.320  21.806  12.908
   93   3HD1  LEU  12          1HD1      LEU  12  15.902  22.879  11.639
   94   1HD2  LEU  12          3HD2      LEU  12  18.343  20.038  12.681
   95   2HD2  LEU  12          2HD2      LEU  12  18.446  21.782  12.468
   96   3HD2  LEU  12          1HD2      LEU  12  17.297  21.107  13.622
   97    H    ILE  13           HN       ILE  13  15.820  16.468  11.766
   98    HA   ILE  13           HA       ILE  13  13.041  16.070  11.397
   99    HB   ILE  13           HB       ILE  13  15.218  14.050  12.033
  100   1HG1  ILE  13          2HG1      ILE  13  13.882  14.727   9.396
  101   2HG1  ILE  13          1HG1      ILE  13  15.405  15.445   9.922
  102   1HG2  ILE  13          3HG2      ILE  13  12.343  13.702  11.152
  103   2HG2  ILE  13          2HG2      ILE  13  13.560  12.442  10.955
  104   3HG2  ILE  13          1HG2      ILE  13  13.128  13.005  12.569
  105   1HD1  ILE  13          2HD1      ILE  13  14.905  12.469   9.615
  106   2HD1  ILE  13          1HD1      ILE  13  15.768  13.474   8.451
  107   3HD1  ILE  13          3HD1      ILE  13  16.434  13.225  10.066
  108    H    GLN  14           HN       GLN  14  15.115  15.114  14.143
  109    HA   GLN  14           HA       GLN  14  13.076  14.094  15.816
  110   1HB   GLN  14           HB2      GLN  14  15.609  15.576  16.582
  111   2HB   GLN  14           HB1      GLN  14  14.651  14.564  17.658
  112   1HG   GLN  14           HG2      GLN  14  15.027  12.635  16.118
  113   2HG   GLN  14           HG1      GLN  14  16.088  13.661  15.151
  114   1HE2  GLN  14          1HE2      GLN  14  18.222  14.057  15.939
  115   2HE2  GLN  14          2HE2      GLN  14  18.821  13.375  17.373
  116    H    GLN  15           HN       GLN  15  14.486  17.384  15.747
  117    HA   GLN  15           HA       GLN  15  12.714  18.543  17.644
  118   1HB   GLN  15           HB2      GLN  15  14.228  19.692  15.298
  119   2HB   GLN  15           HB1      GLN  15  13.206  20.709  16.304
  120   1HG   GLN  15           HG2      GLN  15  15.404  18.942  17.410
  121   2HG   GLN  15           HG1      GLN  15  15.636  20.642  17.005
  122   1HE2  GLN  15          1HE2      GLN  15  13.420  21.920  17.954
  123   2HE2  GLN  15          2HE2      GLN  15  13.211  21.649  19.617
  124    H    ALA  16           HN       ALA  16  12.489  18.696  14.061
  125    HA   ALA  16           HA       ALA  16   9.899  19.813  13.953
  126   1HB   ALA  16           HB2      ALA  16   9.795  19.044  11.689
  127   2HB   ALA  16           HB1      ALA  16  11.495  19.397  12.005
  128   3HB   ALA  16           HB3      ALA  16  10.922  17.728  12.015
  129    H    THR  17           HN       THR  17  10.915  16.429  14.323
  130    HA   THR  17           HA       THR  17   8.313  15.260  14.087
  131    HB   THR  17           HB       THR  17  10.769  14.368  15.625
  132    HG1  THR  17           HG1      THR  17   9.593  13.432  13.225
  133   1HG2  THR  17          2HG2      THR  17   8.104  13.020  15.188
  134   2HG2  THR  17          1HG2      THR  17   9.570  12.105  15.539
  135   3HG2  THR  17          3HG2      THR  17   8.958  13.275  16.709
  136    H    SER  18           HN       SER  18  10.166  16.070  17.053
  137    HA   SER  18           HA       SER  18   8.250  15.544  18.982
  138   1HB   SER  18           HB2      SER  18   9.228  17.809  20.054
  139   2HB   SER  18           HB1      SER  18  10.202  16.347  19.943
  140    HG   SER  18           HG       SER  18  11.475  17.433  18.697
  141    H    ILE  19           HN       ILE  19   8.632  18.968  18.018
  142    HA   ILE  19           HA       ILE  19   6.345  20.090  18.798
  143    HB   ILE  19           HB       ILE  19   7.933  20.360  16.262
  144   1HG1  ILE  19          2HG1      ILE  19   8.278  22.653  17.213
  145   2HG1  ILE  19          1HG1      ILE  19   7.305  22.188  18.600
  146   1HG2  ILE  19          3HG2      ILE  19   5.326  21.795  16.809
  147   2HG2  ILE  19          2HG2      ILE  19   6.558  22.428  15.720
  148   3HG2  ILE  19          1HG2      ILE  19   5.778  20.889  15.365
  149   1HD1  ILE  19          1HD1      ILE  19   9.780  20.686  17.714
  150   2HD1  ILE  19          3HD1      ILE  19   9.798  21.972  18.922
  151   3HD1  ILE  19          2HD1      ILE  19   8.887  20.488  19.228
  152    H    GLU  20           HN       GLU  20   6.422  18.318  15.657
  153    HA   GLU  20           HA       GLU  20   3.803  18.641  14.860
  154   1HB   GLU  20           HB2      GLU  20   5.496  16.141  14.756
  155   2HB   GLU  20           HB1      GLU  20   3.922  16.250  13.977
  156   1HG   GLU  20           HG2      GLU  20   6.060  18.325  13.475
  157   2HG   GLU  20           HG1      GLU  20   6.002  16.826  12.547
  158    H    ARG  21           HN       ARG  21   4.793  15.948  17.048
  159    HA   ARG  21           HA       ARG  21   1.970  15.502  17.719
  160   1HB   ARG  21           HB2      ARG  21   4.547  14.096  18.406
  161   2HB   ARG  21           HB1      ARG  21   3.034  13.679  19.209
  162   1HG   ARG  21           HG2      ARG  21   3.377  12.205  17.288
  163   2HG   ARG  21           HG1      ARG  21   1.997  13.261  16.989
  164   1HD   ARG  21           HD2      ARG  21   3.199  14.612  15.480
  165   2HD   ARG  21           HD1      ARG  21   4.761  14.037  16.064
  166    HE   ARG  21           HE       ARG  21   4.236  11.839  14.971
  167   1HH1  ARG  21          1HH1      ARG  21   4.608  13.808  12.781
  168   2HH1  ARG  21          2HH1      ARG  21   3.187  13.576  11.818
  169   1HH2  ARG  21          1HH2      ARG  21   1.452  11.894  14.304
  170   2HH2  ARG  21          2HH2      ARG  21   1.401  12.493  12.680
  171    H    LEU  22           HN       LEU  22   4.528  17.409  18.995
  172    HA   LEU  22           HA       LEU  22   3.502  17.273  21.772
  173   1HB   LEU  22           HB2      LEU  22   5.906  18.439  20.415
  174   2HB   LEU  22           HB1      LEU  22   5.356  19.228  21.895
  175    HG   LEU  22           HG       LEU  22   5.455  17.072  23.089
  176   1HD1  LEU  22          3HD1      LEU  22   6.498  16.011  20.454
  177   2HD1  LEU  22          2HD1      LEU  22   6.518  15.120  21.971
  178   3HD1  LEU  22          1HD1      LEU  22   4.982  15.561  21.230
  179   1HD2  LEU  22          3HD2      LEU  22   7.648  18.625  22.303
  180   2HD2  LEU  22          2HD2      LEU  22   7.644  17.413  23.576
  181   3HD2  LEU  22          1HD2      LEU  22   8.171  16.979  21.954
  182    H    CYS  23           HN       CYS  23   3.917  19.730  19.232
  183    HA   CYS  23           HA       CYS  23   2.496  21.790  20.629
  184   1HB   CYS  23           HB2      CYS  23   3.242  21.353  17.751
  185   2HB   CYS  23           HB1      CYS  23   2.237  22.721  18.210
  186    H    GLN  24           HN       GLN  24   1.364  19.001  18.897
  187    HA   GLN  24           HA       GLN  24  -1.281  20.135  18.348
  188   1HB   GLN  24           HB2      GLN  24   0.073  17.474  17.994
  189   2HB   GLN  24           HB1      GLN  24  -1.686  17.536  17.945
  190   1HG   GLN  24           HG2      GLN  24  -0.439  17.782  15.706
  191   2HG   GLN  24           HG1      GLN  24  -1.698  18.961  16.054
  192   1HE2  GLN  24          1HE2      GLN  24  -0.874  20.821  15.017
  193   2HE2  GLN  24          2HE2      GLN  24   0.642  21.503  15.359
  194    H    HIS  25           HN       HIS  25   0.321  18.565  20.982
  195    HA   HIS  25           HA       HIS  25  -2.121  17.564  22.235
  196   1HB   HIS  25           HB2      HIS  25   0.676  17.965  23.336
  197   2HB   HIS  25           HB1      HIS  25  -0.633  17.150  24.190
  198    HD1  HIS  25           HD1      HIS  25   1.660  15.360  23.737
  199    HD2  HIS  25           HD2      HIS  25  -1.212  15.931  20.770
  200    HE1  HIS  25           HE1      HIS  25   1.819  13.360  22.191
  201    H    TYR  26           HN       TYR  26   0.015  20.374  22.661
  202    HA   TYR  26           HA       TYR  26  -1.737  21.477  24.762
  203   1HB   TYR  26           HB2      TYR  26   0.658  22.783  23.453
  204   2HB   TYR  26           HB1      TYR  26  -0.040  23.130  25.030
  205    HD1  TYR  26           HD1      TYR  26   2.380  21.180  23.243
  206    HD2  TYR  26           HD2      TYR  26  -0.056  21.243  26.784
  207    HE1  TYR  26           HE1      TYR  26   3.848  19.473  24.286
  208    HE2  TYR  26           HE2      TYR  26   1.415  19.538  27.826
  209    HH   TYR  26           HH       TYR  26   3.340  17.597  26.301
  210    H    ILE  27           HN       ILE  27  -1.520  24.208  24.130
  211    HA   ILE  27           HA       ILE  27  -3.496  24.390  21.936
  212    HB   ILE  27           HB       ILE  27  -2.477  26.785  23.461
  213   1HG1  ILE  27          2HG1      ILE  27  -2.725  25.179  25.243
  214   2HG1  ILE  27          1HG1      ILE  27  -4.141  26.226  25.270
  215   1HG2  ILE  27          1HG2      ILE  27  -4.225  26.949  21.668
  216   2HG2  ILE  27          3HG2      ILE  27  -5.269  25.921  22.651
  217   3HG2  ILE  27          2HG2      ILE  27  -4.782  27.509  23.245
  218   1HD1  ILE  27          2HD1      ILE  27  -5.106  24.309  23.648
  219   2HD1  ILE  27          1HD1      ILE  27  -3.928  23.341  24.538
  220   3HD1  ILE  27          3HD1      ILE  27  -5.205  24.190  25.403
  221    H    GLY  28           HN       GLY  28  -3.164  26.220  20.318
  222   1HA   GLY  28           HA1      GLY  28  -1.814  27.457  18.810
  223   2HA   GLY  28           HA2      GLY  28  -0.961  25.917  18.694
  224    H    TRP  29           HN       TRP  29  -1.199  28.197  21.425
  225    HA   TRP  29           HA       TRP  29   1.442  29.273  21.124
  226   1HB   TRP  29           HB2      TRP  29  -0.147  30.506  22.422
  227   2HB   TRP  29           HB1      TRP  29  -0.500  29.116  23.442
  228    HD1  TRP  29           HD1      TRP  29   2.682  31.161  22.544
  229    HE1  TRP  29           HE1      TRP  29   4.036  31.492  24.719
  230    HE3  TRP  29           HE3      TRP  29  -0.302  28.641  25.840
  231    HZ2  TRP  29           HZ2      TRP  29   3.869  30.792  27.484
  232    HZ3  TRP  29           HZ3      TRP  29   0.320  28.492  28.235
  233    HH2  TRP  29           HH2      TRP  29   2.398  29.561  29.060
  234    H    CYS  30           HN       CYS  30   1.909  26.638  20.732
  235    HA   CYS  30           HA       CYS  30   2.641  25.280  23.206
  236   1HB   CYS  30           HB2      CYS  30   3.539  23.528  21.776
  237   2HB   CYS  30           HB1      CYS  30   1.974  24.033  21.148
  238    HA   PRO  31           HA       PRO  31   6.538  27.628  23.141
  239   1HB   PRO  31           HB2      PRO  31   7.472  26.923  25.618
  240   2HB   PRO  31           HB1      PRO  31   6.198  28.131  25.375
  241   1HG   PRO  31           HG2      PRO  31   5.967  25.292  26.236
  242   2HG   PRO  31           HG1      PRO  31   5.028  26.707  26.744
  243   1HD   PRO  31           HD2      PRO  31   4.154  24.813  24.895
  244   2HD   PRO  31           HD1      PRO  31   3.517  26.466  25.019
  245    H    PHE  32           HN       PHE  32   6.821  25.618  21.483
  246    HA   PHE  32           HA       PHE  32   9.200  24.059  22.445
  247   1HB   PHE  32           HB2      PHE  32   6.886  23.183  20.701
  248   2HB   PHE  32           HB1      PHE  32   8.414  22.307  20.766
  249    HD1  PHE  32           HD1      PHE  32   8.753  20.687  22.431
  250    HD2  PHE  32           HD2      PHE  32   5.741  23.695  22.997
  251    HE1  PHE  32           HE1      PHE  32   8.000  19.541  24.497
  252    HE2  PHE  32           HE2      PHE  32   4.991  22.553  25.066
  253    HZ   PHE  32           HZ       PHE  32   6.119  20.477  25.817
  254    H    TRP  33           HN       TRP  33   7.590  25.819  19.870
  255    HA   TRP  33           HA       TRP  33   9.442  25.356  17.764
  256   1HB   TRP  33           HB2      TRP  33   7.830  27.832  18.419
  257   2HB   TRP  33           HB1      TRP  33   8.637  27.557  16.880
  258    HD1  TRP  33           HD1      TRP  33   7.910  24.659  16.222
  259    HE1  TRP  33           HE1      TRP  33   5.502  23.898  15.822
  260    HE3  TRP  33           HE3      TRP  33   5.400  28.467  18.513
  261    HZ2  TRP  33           HZ2      TRP  33   2.836  24.809  16.331
  262    HZ3  TRP  33           HZ3      TRP  33   2.921  28.504  18.519
  263    HH2  TRP  33           HH2      TRP  33   1.638  26.680  17.427

  No H/Q in entry =         263
  Start of MODEL   17
    1    H1   ASN   1           HT2      ASN   1  32.797 -16.034  25.107
    2    H2   ASN   1           HT1      ASN   1  33.463 -14.584  24.522
    3    H3   ASN   1           HT3      ASN   1  32.141 -14.541  25.584
    4    HA   ASN   1           HA       ASN   1  30.643 -15.272  23.994
    5   1HB   ASN   1           HB2      ASN   1  32.713 -13.607  22.528
    6   2HB   ASN   1           HB1      ASN   1  31.025 -13.798  22.056
    7   1HD2  ASN   1          1HD2      ASN   1  32.966 -11.586  23.492
    8   2HD2  ASN   1          2HD2      ASN   1  31.873 -10.879  24.581
    9    H    GLU   2           HN       GLU   2  33.851 -15.449  22.389
   10    HA   GLU   2           HA       GLU   2  34.643 -16.987  20.797
   11   1HB   GLU   2           HB2      GLU   2  32.947 -18.826  22.513
   12   2HB   GLU   2           HB1      GLU   2  34.133 -19.367  21.326
   13   1HG   GLU   2           HG2      GLU   2  35.860 -17.991  22.577
   14   2HG   GLU   2           HG1      GLU   2  34.652 -17.769  23.843
   15    H    LEU   3           HN       LEU   3  31.658 -18.810  21.197
   16    HA   LEU   3           HA       LEU   3  31.050 -18.351  18.334
   17   1HB   LEU   3           HB2      LEU   3  29.617 -20.138  20.329
   18   2HB   LEU   3           HB1      LEU   3  29.388 -20.128  18.588
   19    HG   LEU   3           HG       LEU   3  30.813 -21.945  18.775
   20   1HD1  LEU   3          3HD1      LEU   3  31.966 -20.238  17.367
   21   2HD1  LEU   3          2HD1      LEU   3  32.884 -19.732  18.788
   22   3HD1  LEU   3          1HD1      LEU   3  33.075 -21.362  18.147
   23   1HD2  LEU   3          1HD2      LEU   3  32.123 -20.536  21.112
   24   2HD2  LEU   3          3HD2      LEU   3  31.066 -21.942  21.172
   25   3HD2  LEU   3          2HD2      LEU   3  32.672 -22.074  20.458
   26    H    ASP   4           HN       ASP   4  29.065 -17.481  17.624
   27    HA   ASP   4           HA       ASP   4  27.093 -16.509  19.560
   28   1HB   ASP   4           HB2      ASP   4  28.759 -14.550  17.946
   29   2HB   ASP   4           HB1      ASP   4  27.334 -14.130  18.896
   30    H    VAL   5           HN       VAL   5  26.088 -18.129  17.972
   31    HA   VAL   5           HA       VAL   5  25.187 -16.727  15.480
   32    HB   VAL   5           HB       VAL   5  24.784 -19.228  14.765
   33   1HG1  VAL   5          1HG1      VAL   5  27.541 -17.993  14.972
   34   2HG1  VAL   5          3HG1      VAL   5  27.144 -19.372  13.947
   35   3HG1  VAL   5          2HG1      VAL   5  26.400 -17.803  13.641
   36   1HG2  VAL   5          2HG2      VAL   5  25.341 -20.027  17.114
   37   2HG2  VAL   5          1HG2      VAL   5  26.203 -20.847  15.812
   38   3HG2  VAL   5          3HG2      VAL   5  27.018 -19.607  16.766
   39    HA   PRO   6           HA       PRO   6  21.082 -17.217  17.133
   40   1HB   PRO   6           HB2      PRO   6  19.590 -17.419  14.833
   41   2HB   PRO   6           HB1      PRO   6  20.325 -15.898  15.375
   42   1HG   PRO   6           HG2      PRO   6  21.290 -17.827  13.309
   43   2HG   PRO   6           HG1      PRO   6  21.273 -16.054  13.272
   44   1HD   PRO   6           HD2      PRO   6  23.530 -17.484  13.848
   45   2HD   PRO   6           HD1      PRO   6  23.219 -15.875  14.534
   46    H    GLU   7           HN       GLU   7  22.618 -19.627  17.089
   47    HA   GLU   7           HA       GLU   7  21.361 -21.794  15.758
   48   1HB   GLU   7           HB2      GLU   7  23.503 -21.430  17.577
   49   2HB   GLU   7           HB1      GLU   7  22.426 -22.567  18.381
   50   1HG   GLU   7           HG2      GLU   7  22.410 -23.926  16.253
   51   2HG   GLU   7           HG1      GLU   7  23.659 -22.848  15.625
   52    H    GLN   8           HN       GLN   8  20.941 -20.666  19.114
   53    HA   GLN   8           HA       GLN   8  18.822 -22.433  19.774
   54   1HB   GLN   8           HB2      GLN   8  18.928 -19.628  20.860
   55   2HB   GLN   8           HB1      GLN   8  18.489 -21.124  21.680
   56   1HG   GLN   8           HG2      GLN   8  20.907 -21.875  21.289
   57   2HG   GLN   8           HG1      GLN   8  21.244 -20.195  20.864
   58   1HE2  GLN   8          1HE2      GLN   8  20.846 -18.538  22.584
   59   2HE2  GLN   8          2HE2      GLN   8  20.882 -19.000  24.217
   60    H    VAL   9           HN       VAL   9  18.539 -18.994  18.794
   61    HA   VAL   9           HA       VAL   9  15.763 -18.869  18.562
   62    HB   VAL   9           HB       VAL   9  17.785 -17.610  16.679
   63   1HG1  VAL   9          2HG1      VAL   9  14.880 -17.014  17.294
   64   2HG1  VAL   9          1HG1      VAL   9  15.946 -15.874  16.471
   65   3HG1  VAL   9          3HG1      VAL   9  15.581 -17.433  15.731
   66   1HG2  VAL   9          3HG2      VAL   9  16.564 -16.650  19.288
   67   2HG2  VAL   9          2HG2      VAL   9  18.260 -17.049  19.011
   68   3HG2  VAL   9          1HG2      VAL   9  17.541 -15.649  18.214
   69    H    ASP  10           HN       ASP  10  18.012 -20.589  16.519
   70    HA   ASP  10           HA       ASP  10  16.333 -20.859  14.207
   71   1HB   ASP  10           HB2      ASP  10  18.831 -21.510  14.483
   72   2HB   ASP  10           HB1      ASP  10  18.222 -23.018  15.164
   73    H    LYS  11           HN       LYS  11  17.035 -23.387  16.610
   74    HA   LYS  11           HA       LYS  11  15.142 -25.264  16.135
   75   1HB   LYS  11           HB2      LYS  11  15.876 -24.106  18.834
   76   2HB   LYS  11           HB1      LYS  11  14.813 -25.498  18.678
   77   1HG   LYS  11           HG2      LYS  11  16.767 -26.702  18.784
   78   2HG   LYS  11           HG1      LYS  11  16.892 -26.314  17.078
   79   1HD   LYS  11           HD2      LYS  11  18.975 -25.586  17.801
   80   2HD   LYS  11           HD1      LYS  11  18.053 -24.098  17.993
   81   1HE   LYS  11           HE2      LYS  11  19.452 -24.643  19.992
   82   2HE   LYS  11           HE1      LYS  11  17.730 -24.550  20.367
   83   1HZ   LYS  11           HZ3      LYS  11  19.054 -27.108  19.689
   84   2HZ   LYS  11           HZ2      LYS  11  19.012 -26.517  21.281
   85   3HZ   LYS  11           HZ1      LYS  11  17.564 -26.866  20.464
   86    H    LEU  12           HN       LEU  12  14.373 -22.060  17.437
   87    HA   LEU  12           HA       LEU  12  11.626 -22.658  18.015
   88   1HB   LEU  12           HB2      LEU  12  13.252 -20.167  17.701
   89   2HB   LEU  12           HB1      LEU  12  11.509 -20.000  17.576
   90    HG   LEU  12           HG       LEU  12  12.582 -19.682  19.897
   91   1HD1  LEU  12          1HD1      LEU  12  10.203 -21.420  19.286
   92   2HD1  LEU  12          3HD1      LEU  12  10.670 -21.120  20.960
   93   3HD1  LEU  12          2HD1      LEU  12  10.257 -19.772  19.903
   94   1HD2  LEU  12          2HD2      LEU  12  13.920 -21.918  19.532
   95   2HD2  LEU  12          1HD2      LEU  12  13.301 -21.524  21.131
   96   3HD2  LEU  12          3HD2      LEU  12  12.441 -22.686  20.121
   97    H    ILE  13           HN       ILE  13  13.248 -21.235  15.177
   98    HA   ILE  13           HA       ILE  13  10.931 -20.800  13.604
   99    HB   ILE  13           HB       ILE  13  13.737 -21.604  12.769
  100   1HG1  ILE  13          2HG1      ILE  13  12.350 -18.908  12.705
  101   2HG1  ILE  13          1HG1      ILE  13  13.402 -19.431  14.019
  102   1HG2  ILE  13          2HG2      ILE  13  11.350 -20.671  11.154
  103   2HG2  ILE  13          1HG2      ILE  13  13.005 -20.583  10.551
  104   3HG2  ILE  13          3HG2      ILE  13  12.288 -22.148  10.932
  105   1HD1  ILE  13          1HD1      ILE  13  14.221 -19.236  11.105
  106   2HD1  ILE  13          3HD1      ILE  13  14.632 -18.064  12.358
  107   3HD1  ILE  13          2HD1      ILE  13  15.267 -19.707  12.446
  108    H    GLN  14           HN       GLN  14  13.072 -23.662  13.702
  109    HA   GLN  14           HA       GLN  14  11.521 -25.293  11.974
  110   1HB   GLN  14           HB2      GLN  14  13.437 -25.892  14.228
  111   2HB   GLN  14           HB1      GLN  14  12.629 -27.188  13.350
  112   1HG   GLN  14           HG2      GLN  14  14.143 -24.998  11.921
  113   2HG   GLN  14           HG1      GLN  14  14.936 -26.474  12.471
  114   1HE2  GLN  14          1HE2      GLN  14  13.942 -25.303   9.674
  115   2HE2  GLN  14          2HE2      GLN  14  13.235 -26.668   8.954
  116    H    GLN  15           HN       GLN  15  11.504 -25.096  15.543
  117    HA   GLN  15           HA       GLN  15   9.381 -26.925  15.990
  118   1HB   GLN  15           HB2      GLN  15  10.312 -24.500  17.533
  119   2HB   GLN  15           HB1      GLN  15   9.013 -25.534  18.114
  120   1HG   GLN  15           HG2      GLN  15  11.723 -26.620  17.328
  121   2HG   GLN  15           HG1      GLN  15  11.347 -26.105  18.973
  122   1HE2  GLN  15          1HE2      GLN  15  11.296 -28.792  16.930
  123   2HE2  GLN  15          2HE2      GLN  15  10.180 -29.743  17.785
  124    H    ALA  16           HN       ALA  16   9.148 -23.339  15.931
  125    HA   ALA  16           HA       ALA  16   6.318 -23.215  15.925
  126   1HB   ALA  16           HB1      ALA  16   8.286 -21.343  14.576
  127   2HB   ALA  16           HB3      ALA  16   6.597 -20.971  14.922
  128   3HB   ALA  16           HB2      ALA  16   7.733 -21.227  16.247
  129    H    THR  17           HN       THR  17   8.614 -23.629  13.275
  130    HA   THR  17           HA       THR  17   6.714 -23.417  11.128
  131    HB   THR  17           HB       THR  17   9.328 -24.937  11.341
  132    HG1  THR  17           HG1      THR  17   8.518 -22.396  10.496
  133   1HG2  THR  17          1HG2      THR  17   7.475 -24.482   9.001
  134   2HG2  THR  17          3HG2      THR  17   9.183 -24.872   8.794
  135   3HG2  THR  17          2HG2      THR  17   8.108 -26.016   9.601
  136    H    SER  18           HN       SER  18   8.121 -26.278  12.734
  137    HA   SER  18           HA       SER  18   6.668 -28.311  11.545
  138   1HB   SER  18           HB2      SER  18   6.987 -29.596  13.561
  139   2HB   SER  18           HB1      SER  18   8.392 -28.551  13.382
  140    HG   SER  18           HG       SER  18   7.882 -27.792  15.264
  141    H    ILE  19           HN       ILE  19   5.545 -27.219  14.782
  142    HA   ILE  19           HA       ILE  19   3.027 -28.096  14.850
  143    HB   ILE  19           HB       ILE  19   4.298 -25.512  15.719
  144   1HG1  ILE  19          2HG1      ILE  19   3.804 -26.478  17.964
  145   2HG1  ILE  19          1HG1      ILE  19   3.075 -27.873  17.175
  146   1HG2  ILE  19          3HG2      ILE  19   1.377 -26.199  16.096
  147   2HG2  ILE  19          2HG2      ILE  19   2.237 -25.009  17.059
  148   3HG2  ILE  19          1HG2      ILE  19   2.034 -24.754  15.330
  149   1HD1  ILE  19          1HD1      ILE  19   5.924 -26.989  16.663
  150   2HD1  ILE  19          3HD1      ILE  19   5.490 -28.186  17.881
  151   3HD1  ILE  19          2HD1      ILE  19   5.167 -28.511  16.177
  152    H    GLU  20           HN       GLU  20   3.788 -24.979  13.207
  153    HA   GLU  20           HA       GLU  20   1.246 -24.216  12.448
  154   1HB   GLU  20           HB2      GLU  20   3.836 -24.071  10.903
  155   2HB   GLU  20           HB1      GLU  20   2.349 -23.345  10.296
  156   1HG   GLU  20           HG2      GLU  20   2.195 -21.852  12.136
  157   2HG   GLU  20           HG1      GLU  20   3.381 -22.759  13.075
  158    H    ARG  21           HN       ARG  21   3.283 -26.367  10.416
  159    HA   ARG  21           HA       ARG  21   0.939 -27.047   8.797
  160   1HB   ARG  21           HB2      ARG  21   3.798 -28.033   8.684
  161   2HB   ARG  21           HB1      ARG  21   2.553 -28.410   7.495
  162   1HG   ARG  21           HG2      ARG  21   3.145 -25.528   8.166
  163   2HG   ARG  21           HG1      ARG  21   4.205 -26.399   7.061
  164   1HD   ARG  21           HD2      ARG  21   2.215 -26.989   5.670
  165   2HD   ARG  21           HD1      ARG  21   1.212 -26.006   6.737
  166    HE   ARG  21           HE       ARG  21   3.177 -24.992   4.780
  167   1HH1  ARG  21          1HH1      ARG  21   1.039 -23.479   4.280
  168   2HH1  ARG  21          2HH1      ARG  21   0.985 -22.186   5.431
  169   1HH2  ARG  21          1HH2      ARG  21   3.148 -23.732   7.661
  170   2HH2  ARG  21          2HH2      ARG  21   2.181 -22.329   7.348
  171    H    LEU  22           HN       LEU  22   2.580 -28.378  11.537
  172    HA   LEU  22           HA       LEU  22   1.579 -31.109  11.053
  173   1HB   LEU  22           HB2      LEU  22   3.322 -29.756  13.084
  174   2HB   LEU  22           HB1      LEU  22   2.509 -31.243  13.575
  175    HG   LEU  22           HG       LEU  22   3.464 -32.409  11.617
  176   1HD1  LEU  22          1HD1      LEU  22   4.881 -29.777  11.122
  177   2HD1  LEU  22          3HD1      LEU  22   5.206 -31.280  10.265
  178   3HD1  LEU  22          2HD1      LEU  22   3.639 -30.492  10.097
  179   1HD2  LEU  22          1HD2      LEU  22   4.917 -31.495  13.919
  180   2HD2  LEU  22          3HD2      LEU  22   5.194 -32.948  12.963
  181   3HD2  LEU  22          2HD2      LEU  22   6.028 -31.455  12.552
  182    H    CYS  23           HN       CYS  23   0.917 -28.447  13.323
  183    HA   CYS  23           HA       CYS  23  -1.252 -29.913  14.616
  184   1HB   CYS  23           HB2      CYS  23  -0.269 -27.072  14.781
  185   2HB   CYS  23           HB1      CYS  23  -1.682 -27.616  15.663
  186    H    GLN  24           HN       GLN  24  -1.027 -27.951  11.773
  187    HA   GLN  24           HA       GLN  24  -3.721 -26.927  11.806
  188   1HB   GLN  24           HB2      GLN  24  -1.555 -27.258   9.754
  189   2HB   GLN  24           HB1      GLN  24  -3.189 -26.938   9.179
  190   1HG   GLN  24           HG2      GLN  24  -1.933 -25.244  11.346
  191   2HG   GLN  24           HG1      GLN  24  -1.660 -24.896   9.639
  192   1HE2  GLN  24          1HE2      GLN  24  -3.463 -24.101   8.376
  193   2HE2  GLN  24          2HE2      GLN  24  -4.923 -23.619   9.094
  194    H    HIS  25           HN       HIS  25  -2.439 -30.055  11.331
  195    HA   HIS  25           HA       HIS  25  -4.853 -30.975   9.825
  196   1HB   HIS  25           HB2      HIS  25  -2.198 -32.294  10.453
  197   2HB   HIS  25           HB1      HIS  25  -3.545 -33.141   9.697
  198    HD1  HIS  25           HD1      HIS  25  -3.857 -29.876   8.420
  199    HD2  HIS  25           HD2      HIS  25  -1.203 -32.990   7.623
  200    HE1  HIS  25           HE1      HIS  25  -2.850 -29.396   6.145
  201    H    TYR  26           HN       TYR  26  -3.632 -30.789  13.017
  202    HA   TYR  26           HA       TYR  26  -5.230 -33.148  13.907
  203   1HB   TYR  26           HB2      TYR  26  -2.983 -31.545  15.120
  204   2HB   TYR  26           HB1      TYR  26  -4.008 -32.552  16.132
  205    HD1  TYR  26           HD1      TYR  26  -4.462 -35.008  15.080
  206    HD2  TYR  26           HD2      TYR  26  -1.035 -32.540  14.293
  207    HE1  TYR  26           HE1      TYR  26  -3.168 -37.013  14.411
  208    HE2  TYR  26           HE2      TYR  26   0.258 -34.544  13.621
  209    HH   TYR  26           HH       TYR  26  -0.122 -36.798  12.836
  210    H    ILE  27           HN       ILE  27  -6.018 -32.682  16.261
  211    HA   ILE  27           HA       ILE  27  -8.013 -30.507  16.043
  212    HB   ILE  27           HB       ILE  27  -7.639 -32.793  17.996
  213   1HG1  ILE  27          2HG1      ILE  27  -9.807 -33.523  17.000
  214   2HG1  ILE  27          1HG1      ILE  27  -9.738 -32.151  15.898
  215   1HG2  ILE  27          3HG2      ILE  27  -9.614 -30.504  18.005
  216   2HG2  ILE  27          2HG2      ILE  27  -9.954 -32.037  18.809
  217   3HG2  ILE  27          1HG2      ILE  27  -8.582 -31.055  19.324
  218   1HD1  ILE  27          3HD1      ILE  27  -7.395 -34.033  16.022
  219   2HD1  ILE  27          2HD1      ILE  27  -8.837 -34.510  15.128
  220   3HD1  ILE  27          1HD1      ILE  27  -7.968 -33.045  14.676
  221    H    GLY  28           HN       GLY  28  -8.358 -29.014  17.842
  222   1HA   GLY  28           HA1      GLY  28  -7.674 -27.690  19.709
  223   2HA   GLY  28           HA2      GLY  28  -6.366 -27.352  18.581
  224    H    TRP  29           HN       TRP  29  -7.086 -30.341  20.401
  225    HA   TRP  29           HA       TRP  29  -4.941 -29.948  22.299
  226   1HB   TRP  29           HB2      TRP  29  -6.780 -31.448  22.844
  227   2HB   TRP  29           HB1      TRP  29  -6.436 -32.443  21.430
  228    HD1  TRP  29           HD1      TRP  29  -4.484 -31.192  24.531
  229    HE1  TRP  29           HE1      TRP  29  -2.979 -33.101  25.359
  230    HE3  TRP  29           HE3      TRP  29  -5.585 -34.741  21.031
  231    HZ2  TRP  29           HZ2      TRP  29  -2.326 -35.806  24.630
  232    HZ3  TRP  29           HZ3      TRP  29  -4.510 -36.971  21.119
  233    HH2  TRP  29           HH2      TRP  29  -2.884 -37.508  22.911
  234    H    CYS  30           HN       CYS  30  -3.191 -29.360  20.764
  235    HA   CYS  30           HA       CYS  30  -2.175 -31.580  19.073
  236   1HB   CYS  30           HB2      CYS  30  -2.454 -29.029  18.418
  237   2HB   CYS  30           HB1      CYS  30  -0.895 -28.863  19.221
  238    HA   PRO  31           HA       PRO  31   0.611 -32.027  22.706
  239   1HB   PRO  31           HB2      PRO  31   1.518 -34.558  22.176
  240   2HB   PRO  31           HB1      PRO  31  -0.045 -34.233  22.948
  241   1HG   PRO  31           HG2      PRO  31   0.551 -34.982  20.132
  242   2HG   PRO  31           HG1      PRO  31  -0.825 -35.433  21.153
  243   1HD   PRO  31           HD2      PRO  31  -0.901 -33.462  19.191
  244   2HD   PRO  31           HD1      PRO  31  -2.034 -33.554  20.557
  245    H    PHE  32           HN       PHE  32   1.319 -30.753  20.155
  246    HA   PHE  32           HA       PHE  32   4.088 -31.747  19.651
  247   1HB   PHE  32           HB2      PHE  32   2.281 -29.791  18.218
  248   2HB   PHE  32           HB1      PHE  32   3.987 -29.977  17.808
  249    HD1  PHE  32           HD1      PHE  32   0.891 -32.022  18.362
  250    HD2  PHE  32           HD2      PHE  32   4.609 -31.618  16.245
  251    HE1  PHE  32           HE1      PHE  32   0.336 -34.019  17.003
  252    HE2  PHE  32           HE2      PHE  32   4.052 -33.617  14.889
  253    HZ   PHE  32           HZ       PHE  32   1.917 -34.818  15.267
  254    H    TRP  33           HN       TRP  33   2.310 -28.849  20.697
  255    HA   TRP  33           HA       TRP  33   4.436 -27.039  20.951
  256   1HB   TRP  33           HB2      TRP  33   2.038 -27.460  22.752
  257   2HB   TRP  33           HB1      TRP  33   3.122 -26.077  22.888
  258    HD1  TRP  33           HD1      TRP  33   3.552 -25.078  20.089
  259    HE1  TRP  33           HE1      TRP  33   1.637 -24.265  18.578
  260    HE3  TRP  33           HE3      TRP  33  -0.401 -27.400  22.342
  261    HZ2  TRP  33           HZ2      TRP  33  -1.201 -24.546  18.354
  262    HZ3  TRP  33           HZ3      TRP  33  -2.698 -27.106  21.460
  263    HH2  TRP  33           HH2      TRP  33  -3.103 -25.683  19.471

  No H/Q in entry =         263
  Start of MODEL   18
    1    H1   ASN   1           HT3      ASN   1  31.379  -5.027  18.020
    2    H2   ASN   1           HT2      ASN   1  30.847  -3.707  17.092
    3    H3   ASN   1           HT1      ASN   1  32.390  -3.683  17.805
    4    HA   ASN   1           HA       ASN   1  31.578  -3.337  19.923
    5   1HB   ASN   1           HB2      ASN   1  29.816  -1.939  17.900
    6   2HB   ASN   1           HB1      ASN   1  29.759  -1.565  19.623
    7   1HD2  ASN   1          1HD2      ASN   1  31.744  -1.317  16.709
    8   2HD2  ASN   1          2HD2      ASN   1  32.921  -0.295  17.381
    9    H    GLU   2           HN       GLU   2  29.026  -2.723  20.834
   10    HA   GLU   2           HA       GLU   2  27.880  -5.422  21.089
   11   1HB   GLU   2           HB2      GLU   2  27.079  -2.780  22.350
   12   2HB   GLU   2           HB1      GLU   2  26.402  -4.354  22.768
   13   1HG   GLU   2           HG2      GLU   2  28.637  -5.148  23.436
   14   2HG   GLU   2           HG1      GLU   2  29.323  -3.578  23.013
   15    H    LEU   3           HN       LEU   3  25.722  -2.679  21.141
   16    HA   LEU   3           HA       LEU   3  24.195  -3.886  18.894
   17   1HB   LEU   3           HB2      LEU   3  23.399  -1.589  20.718
   18   2HB   LEU   3           HB1      LEU   3  22.357  -2.433  19.585
   19    HG   LEU   3           HG       LEU   3  21.740  -3.494  21.550
   20   1HD1  LEU   3          3HD1      LEU   3  22.659  -5.219  19.996
   21   2HD1  LEU   3          2HD1      LEU   3  24.189  -5.142  20.871
   22   3HD1  LEU   3          1HD1      LEU   3  22.732  -5.693  21.691
   23   1HD2  LEU   3          2HD2      LEU   3  24.558  -2.953  22.461
   24   2HD2  LEU   3          1HD2      LEU   3  23.043  -2.419  23.174
   25   3HD2  LEU   3          3HD2      LEU   3  23.544  -4.102  23.327
   26    H    ASP   4           HN       ASP   4  25.754  -3.129  17.266
   27    HA   ASP   4           HA       ASP   4  26.078  -0.232  16.914
   28   1HB   ASP   4           HB2      ASP   4  27.831  -1.968  16.294
   29   2HB   ASP   4           HB1      ASP   4  26.784  -2.426  14.950
   30    H    VAL   5           HN       VAL   5  24.036   0.647  16.476
   31    HA   VAL   5           HA       VAL   5  22.708  -0.289  13.961
   32    HB   VAL   5           HB       VAL   5  20.636   0.832  15.266
   33   1HG1  VAL   5          1HG1      VAL   5  21.693  -1.964  15.762
   34   2HG1  VAL   5          3HG1      VAL   5  20.044  -1.438  16.099
   35   3HG1  VAL   5          2HG1      VAL   5  20.640  -1.463  14.439
   36   1HG2  VAL   5          1HG2      VAL   5  22.271   1.326  17.207
   37   2HG2  VAL   5          3HG2      VAL   5  20.723   0.593  17.620
   38   3HG2  VAL   5          2HG2      VAL   5  22.180  -0.399  17.552
   39    HA   PRO   6           HA       PRO   6  23.237   3.908  12.626
   40   1HB   PRO   6           HB2      PRO   6  21.103   4.237  10.929
   41   2HB   PRO   6           HB1      PRO   6  22.505   3.224  10.536
   42   1HG   PRO   6           HG2      PRO   6  19.818   2.413  11.554
   43   2HG   PRO   6           HG1      PRO   6  20.831   1.649  10.315
   44   1HD   PRO   6           HD2      PRO   6  20.677   0.714  12.891
   45   2HD   PRO   6           HD1      PRO   6  22.124   0.523  11.875
   46    H    GLU   7           HN       GLU   7  21.741   3.599  15.187
   47    HA   GLU   7           HA       GLU   7  19.394   5.222  15.196
   48   1HB   GLU   7           HB2      GLU   7  20.031   5.611  17.649
   49   2HB   GLU   7           HB1      GLU   7  19.821   3.930  17.158
   50   1HG   GLU   7           HG2      GLU   7  22.215   3.635  16.935
   51   2HG   GLU   7           HG1      GLU   7  22.492   5.350  17.224
   52    H    GLN   8           HN       GLN   8  22.805   5.972  15.246
   53    HA   GLN   8           HA       GLN   8  22.387   8.818  15.781
   54   1HB   GLN   8           HB2      GLN   8  24.919   7.712  14.590
   55   2HB   GLN   8           HB1      GLN   8  24.708   9.019  15.748
   56   1HG   GLN   8           HG2      GLN   8  23.844   7.243  17.376
   57   2HG   GLN   8           HG1      GLN   8  24.483   6.052  16.241
   58   1HE2  GLN   8          1HE2      GLN   8  25.958   5.540  18.187
   59   2HE2  GLN   8          2HE2      GLN   8  27.378   6.456  18.353
   60    H    VAL   9           HN       VAL   9  23.672   7.023  12.958
   61    HA   VAL   9           HA       VAL   9  23.682   9.091  11.091
   62    HB   VAL   9           HB       VAL   9  22.805   6.225  10.604
   63   1HG1  VAL   9          2HG1      VAL   9  23.844   8.393   8.757
   64   2HG1  VAL   9          1HG1      VAL   9  23.709   6.694   8.304
   65   3HG1  VAL   9          3HG1      VAL   9  22.260   7.619   8.699
   66   1HG2  VAL   9          2HG2      VAL   9  25.515   7.578  10.677
   67   2HG2  VAL   9          1HG2      VAL   9  24.966   6.217  11.655
   68   3HG2  VAL   9          3HG2      VAL   9  25.250   6.004   9.928
   69    H    ASP  10           HN       ASP  10  20.940   7.594  12.593
   70    HA   ASP  10           HA       ASP  10  18.942   8.194  10.635
   71   1HB   ASP  10           HB2      ASP  10  18.792   8.034  13.659
   72   2HB   ASP  10           HB1      ASP  10  17.377   8.240  12.628
   73    H    LYS  11           HN       LYS  11  19.431   9.961  13.680
   74    HA   LYS  11           HA       LYS  11  18.107  12.296  13.261
   75   1HB   LYS  11           HB2      LYS  11  20.918  12.022  14.357
   76   2HB   LYS  11           HB1      LYS  11  20.017  13.532  14.413
   77   1HG   LYS  11           HG2      LYS  11  19.294  12.742  16.449
   78   2HG   LYS  11           HG1      LYS  11  18.148  11.829  15.483
   79   1HD   LYS  11           HD2      LYS  11  19.076  10.135  16.790
   80   2HD   LYS  11           HD1      LYS  11  20.092  10.050  15.353
   81   1HE   LYS  11           HE2      LYS  11  21.402  10.020  17.490
   82   2HE   LYS  11           HE1      LYS  11  21.827  11.370  16.439
   83   1HZ   LYS  11           HZ3      LYS  11  19.684  12.093  18.131
   84   2HZ   LYS  11           HZ2      LYS  11  20.960  11.477  19.068
   85   3HZ   LYS  11           HZ1      LYS  11  21.228  12.784  18.017
   86    H    LEU  12           HN       LEU  12  21.180  11.484  11.688
   87    HA   LEU  12           HA       LEU  12  21.488  14.019  10.378
   88   1HB   LEU  12           HB2      LEU  12  22.692  11.296  10.115
   89   2HB   LEU  12           HB1      LEU  12  22.886  12.389   8.751
   90    HG   LEU  12           HG       LEU  12  24.750  12.430  10.502
   91   1HD1  LEU  12          2HD1      LEU  12  24.076  14.338   8.839
   92   2HD1  LEU  12          1HD1      LEU  12  23.487  15.158  10.283
   93   3HD1  LEU  12          3HD1      LEU  12  25.183  14.701  10.157
   94   1HD2  LEU  12          2HD2      LEU  12  22.926  12.402  12.393
   95   2HD2  LEU  12          1HD2      LEU  12  24.397  13.342  12.625
   96   3HD2  LEU  12          3HD2      LEU  12  22.903  14.154  12.154
   97    H    ILE  13           HN       ILE  13  20.089  10.905   9.325
   98    HA   ILE  13           HA       ILE  13  19.392  11.739   6.697
   99    HB   ILE  13           HB       ILE  13  18.019   9.775   8.561
  100   1HG1  ILE  13          2HG1      ILE  13  19.808   9.303   6.157
  101   2HG1  ILE  13          1HG1      ILE  13  20.400   9.327   7.818
  102   1HG2  ILE  13          1HG2      ILE  13  17.576  10.408   5.632
  103   2HG2  ILE  13          3HG2      ILE  13  17.049   8.897   6.373
  104   3HG2  ILE  13          2HG2      ILE  13  16.381  10.430   6.929
  105   1HD1  ILE  13          3HD1      ILE  13  18.167   7.510   6.876
  106   2HD1  ILE  13          2HD1      ILE  13  19.860   7.019   6.927
  107   3HD1  ILE  13          1HD1      ILE  13  19.020   7.445   8.417
  108    H    GLN  14           HN       GLN  14  17.424  11.783   9.693
  109    HA   GLN  14           HA       GLN  14  15.187  13.140   8.604
  110   1HB   GLN  14           HB2      GLN  14  16.359  13.217  11.403
  111   2HB   GLN  14           HB1      GLN  14  14.774  13.848  10.971
  112   1HG   GLN  14           HG2      GLN  14  14.269  11.519  10.024
  113   2HG   GLN  14           HG1      GLN  14  15.718  10.982  10.874
  114   1HE2  GLN  14          1HE2      GLN  14  15.744  11.562  13.315
  115   2HE2  GLN  14          2HE2      GLN  14  14.263  11.492  14.141
  116    H    GLN  15           HN       GLN  15  18.043  14.443  10.297
  117    HA   GLN  15           HA       GLN  15  17.386  17.203   9.962
  118   1HB   GLN  15           HB2      GLN  15  20.027  15.774  10.287
  119   2HB   GLN  15           HB1      GLN  15  19.914  17.527  10.208
  120   1HG   GLN  15           HG2      GLN  15  18.275  15.901  12.160
  121   2HG   GLN  15           HG1      GLN  15  19.894  16.479  12.552
  122   1HE2  GLN  15          1HE2      GLN  15  16.786  17.301  13.116
  123   2HE2  GLN  15          2HE2      GLN  15  16.908  18.994  13.124
  124    H    ALA  16           HN       ALA  16  19.754  15.257   8.081
  125    HA   ALA  16           HA       ALA  16  20.180  17.166   6.042
  126   1HB   ALA  16           HB2      ALA  16  21.041  15.367   4.707
  127   2HB   ALA  16           HB1      ALA  16  21.435  14.977   6.382
  128   3HB   ALA  16           HB3      ALA  16  20.082  14.174   5.584
  129    H    THR  17           HN       THR  17  17.592  14.803   6.467
  130    HA   THR  17           HA       THR  17  16.395  15.142   3.873
  131    HB   THR  17           HB       THR  17  15.303  14.257   6.555
  132    HG1  THR  17           HG1      THR  17  15.043  12.409   4.797
  133   1HG2  THR  17          2HG2      THR  17  13.862  14.605   3.921
  134   2HG2  THR  17          1HG2      THR  17  13.296  13.482   5.158
  135   3HG2  THR  17          3HG2      THR  17  13.386  15.210   5.509
  136    H    SER  18           HN       SER  18  15.560  16.547   7.049
  137    HA   SER  18           HA       SER  18  13.548  18.299   6.338
  138   1HB   SER  18           HB2      SER  18  14.214  19.685   8.206
  139   2HB   SER  18           HB1      SER  18  14.532  18.008   8.637
  140    HG   SER  18           HG       SER  18  16.228  19.953   8.702
  141    H    ILE  19           HN       ILE  19  16.849  19.682   6.695
  142    HA   ILE  19           HA       ILE  19  16.660  21.988   5.368
  143    HB   ILE  19           HB       ILE  19  18.818  19.885   5.432
  144   1HG1  ILE  19          2HG1      ILE  19  19.965  21.662   6.745
  145   2HG1  ILE  19          1HG1      ILE  19  18.566  22.704   6.504
  146   1HG2  ILE  19          1HG2      ILE  19  18.942  22.497   3.913
  147   2HG2  ILE  19          3HG2      ILE  19  20.379  21.646   4.469
  148   3HG2  ILE  19          2HG2      ILE  19  19.297  20.883   3.303
  149   1HD1  ILE  19          3HD1      ILE  19  18.354  19.966   7.778
  150   2HD1  ILE  19          2HD1      ILE  19  18.629  21.427   8.719
  151   3HD1  ILE  19          1HD1      ILE  19  17.146  21.256   7.779
  152    H    GLU  20           HN       GLU  20  17.296  18.939   3.560
  153    HA   GLU  20           HA       GLU  20  17.430  19.994   0.997
  154   1HB   GLU  20           HB2      GLU  20  16.171  17.429   1.981
  155   2HB   GLU  20           HB1      GLU  20  16.282  17.810   0.263
  156   1HG   GLU  20           HG2      GLU  20  18.711  18.011   0.427
  157   2HG   GLU  20           HG1      GLU  20  18.639  17.735   2.168
  158    H    ARG  21           HN       ARG  21  14.349  18.825   2.437
  159    HA   ARG  21           HA       ARG  21  12.826  20.151   0.350
  160   1HB   ARG  21           HB2      ARG  21  11.711  19.025   2.917
  161   2HB   ARG  21           HB1      ARG  21  10.904  19.185   1.357
  162   1HG   ARG  21           HG2      ARG  21  13.236  17.349   1.983
  163   2HG   ARG  21           HG1      ARG  21  11.566  16.854   1.708
  164   1HD   ARG  21           HD2      ARG  21  11.795  18.047  -0.579
  165   2HD   ARG  21           HD1      ARG  21  13.531  17.998  -0.274
  166    HE   ARG  21           HE       ARG  21  12.722  15.386   0.152
  167   1HH1  ARG  21          1HH1      ARG  21  13.697  14.204  -1.664
  168   2HH1  ARG  21          2HH1      ARG  21  13.065  14.563  -3.236
  169   1HH2  ARG  21          1HH2      ARG  21  11.320  17.369  -2.186
  170   2HH2  ARG  21          2HH2      ARG  21  11.719  16.354  -3.531
  171    H    LEU  22           HN       LEU  22  13.931  21.046   3.529
  172    HA   LEU  22           HA       LEU  22  11.916  23.177   3.817
  173   1HB   LEU  22           HB2      LEU  22  14.131  22.043   5.484
  174   2HB   LEU  22           HB1      LEU  22  13.668  23.716   5.802
  175    HG   LEU  22           HG       LEU  22  11.311  22.984   6.069
  176   1HD1  LEU  22          2HD1      LEU  22  12.533  20.267   5.621
  177   2HD1  LEU  22          1HD1      LEU  22  10.967  20.493   6.390
  178   3HD1  LEU  22          3HD1      LEU  22  11.214  21.014   4.724
  179   1HD2  LEU  22          3HD2      LEU  22  13.506  21.873   7.795
  180   2HD2  LEU  22          2HD2      LEU  22  12.345  23.155   8.135
  181   3HD2  LEU  22          1HD2      LEU  22  11.828  21.475   8.175
  182    H    CYS  23           HN       CYS  23  15.420  22.967   3.160
  183    HA   CYS  23           HA       CYS  23  15.624  25.877   2.933
  184   1HB   CYS  23           HB2      CYS  23  17.583  23.637   2.441
  185   2HB   CYS  23           HB1      CYS  23  17.989  25.338   2.303
  186    H    GLN  24           HN       GLN  24  14.904  23.314   0.674
  187    HA   GLN  24           HA       GLN  24  15.992  24.727  -1.625
  188   1HB   GLN  24           HB2      GLN  24  14.177  22.344  -1.248
  189   2HB   GLN  24           HB1      GLN  24  14.456  23.026  -2.848
  190   1HG   GLN  24           HG2      GLN  24  16.712  22.225  -0.998
  191   2HG   GLN  24           HG1      GLN  24  16.018  21.126  -2.190
  192   1HE2  GLN  24          1HE2      GLN  24  15.743  22.467  -4.482
  193   2HE2  GLN  24          2HE2      GLN  24  17.175  23.237  -4.972
  194    H    HIS  25           HN       HIS  25  13.121  24.996   0.260
  195    HA   HIS  25           HA       HIS  25  11.558  26.209  -1.935
  196   1HB   HIS  25           HB2      HIS  25  10.964  25.719   0.991
  197   2HB   HIS  25           HB1      HIS  25   9.844  26.526  -0.107
  198    HD1  HIS  25           HD1      HIS  25  11.680  24.037  -1.957
  199    HD2  HIS  25           HD2      HIS  25   8.336  23.972   0.531
  200    HE1  HIS  25           HE1      HIS  25  10.473  21.862  -2.435
  201    H    TYR  26           HN       TYR  26  13.374  27.262   0.917
  202    HA   TYR  26           HA       TYR  26  12.413  30.032   0.576
  203   1HB   TYR  26           HB2      TYR  26  14.484  29.005   2.520
  204   2HB   TYR  26           HB1      TYR  26  13.546  30.486   2.625
  205    HD1  TYR  26           HD1      TYR  26  13.782  27.323   3.982
  206    HD2  TYR  26           HD2      TYR  26  10.849  29.972   2.291
  207    HE1  TYR  26           HE1      TYR  26  11.989  26.121   5.200
  208    HE2  TYR  26           HE2      TYR  26   9.060  28.767   3.509
  209    HH   TYR  26           HH       TYR  26   8.575  26.905   4.688
  210    H    ILE  27           HN       ILE  27  14.647  31.378   1.390
  211    HA   ILE  27           HA       ILE  27  16.204  31.478  -1.124
  212    HB   ILE  27           HB       ILE  27  16.106  33.279   1.312
  213   1HG1  ILE  27          2HG1      ILE  27  15.155  34.874  -0.371
  214   2HG1  ILE  27          1HG1      ILE  27  15.197  33.583  -1.569
  215   1HG2  ILE  27          2HG2      ILE  27  17.845  33.378  -1.160
  216   2HG2  ILE  27          1HG2      ILE  27  17.482  34.823  -0.216
  217   3HG2  ILE  27          3HG2      ILE  27  18.346  33.477   0.528
  218   1HD1  ILE  27          1HD1      ILE  27  13.795  33.075   1.042
  219   2HD1  ILE  27          3HD1      ILE  27  12.990  34.049  -0.188
  220   3HD1  ILE  27          2HD1      ILE  27  13.474  32.396  -0.555
  221    H    GLY  28           HN       GLY  28  18.545  31.519  -1.117
  222   1HA   GLY  28           HA1      GLY  28  20.710  30.952  -0.329
  223   2HA   GLY  28           HA2      GLY  28  19.901  29.415  -0.037
  224    H    TRP  29           HN       TRP  29  19.540  32.570   1.609
  225    HA   TRP  29           HA       TRP  29  20.994  31.838   3.962
  226   1HB   TRP  29           HB2      TRP  29  20.428  34.176   3.507
  227   2HB   TRP  29           HB1      TRP  29  18.706  33.805   3.602
  228    HD1  TRP  29           HD1      TRP  29  21.687  32.977   5.927
  229    HE1  TRP  29           HE1      TRP  29  21.037  33.611   8.330
  230    HE3  TRP  29           HE3      TRP  29  17.015  34.861   5.095
  231    HZ2  TRP  29           HZ2      TRP  29  18.813  34.775   9.729
  232    HZ3  TRP  29           HZ3      TRP  29  15.653  35.725   6.977
  233    HH2  TRP  29           HH2      TRP  29  16.545  35.685   9.290
  234    H    CYS  30           HN       CYS  30  20.113  29.555   4.134
  235    HA   CYS  30           HA       CYS  30  17.360  29.387   5.230
  236   1HB   CYS  30           HB2      CYS  30  18.195  27.824   3.419
  237   2HB   CYS  30           HB1      CYS  30  19.293  27.145   4.615
  238    HA   PRO  31           HA       PRO  31  19.729  29.253   9.148
  239   1HB   PRO  31           HB2      PRO  31  17.653  29.777  10.862
  240   2HB   PRO  31           HB1      PRO  31  18.494  31.040   9.945
  241   1HG   PRO  31           HG2      PRO  31  15.846  29.785   9.439
  242   2HG   PRO  31           HG1      PRO  31  16.379  31.451   9.159
  243   1HD   PRO  31           HD2      PRO  31  16.163  29.494   7.179
  244   2HD   PRO  31           HD1      PRO  31  17.147  30.968   7.038
  245    H    PHE  32           HN       PHE  32  19.111  26.834   7.941
  246    HA   PHE  32           HA       PHE  32  18.100  25.193  10.243
  247   1HB   PHE  32           HB2      PHE  32  17.426  25.015   7.306
  248   2HB   PHE  32           HB1      PHE  32  17.397  23.561   8.297
  249    HD1  PHE  32           HD1      PHE  32  15.435  23.004   9.421
  250    HD2  PHE  32           HD2      PHE  32  16.141  27.105   8.348
  251    HE1  PHE  32           HE1      PHE  32  13.183  23.603  10.250
  252    HE2  PHE  32           HE2      PHE  32  13.891  27.709   9.195
  253    HZ   PHE  32           HZ       PHE  32  12.413  25.961  10.149
  254    H    TRP  33           HN       TRP  33  20.778  25.673  10.134
  255    HA   TRP  33           HA       TRP  33  21.865  23.060   9.144
  256   1HB   TRP  33           HB2      TRP  33  22.866  25.842   8.586
  257   2HB   TRP  33           HB1      TRP  33  24.004  24.500   8.634
  258    HD1  TRP  33           HD1      TRP  33  22.663  22.244   7.124
  259    HE1  TRP  33           HE1      TRP  33  21.993  22.454   4.641
  260    HE3  TRP  33           HE3      TRP  33  22.429  27.330   6.688
  261    HZ2  TRP  33           HZ2      TRP  33  21.427  24.496   2.731
  262    HZ3  TRP  33           HZ3      TRP  33  21.828  28.378   4.525
  263    HH2  TRP  33           HH2      TRP  33  21.327  26.969   2.547

  No H/Q in entry =         263
  Start of MODEL   19
    1    H1   ASN   1           HT2      ASN   1  39.299 -35.874 -17.513
    2    H2   ASN   1           HT1      ASN   1  39.401 -37.401 -16.777
    3    H3   ASN   1           HT3      ASN   1  40.431 -36.150 -16.277
    4    HA   ASN   1           HA       ASN   1  41.866 -37.280 -17.612
    5   1HB   ASN   1           HB2      ASN   1  41.161 -38.544 -19.582
    6   2HB   ASN   1           HB1      ASN   1  40.135 -38.980 -18.215
    7   1HD2  ASN   1          1HD2      ASN   1  37.887 -38.494 -18.357
    8   2HD2  ASN   1          2HD2      ASN   1  37.179 -37.754 -19.711
    9    H    GLU   2           HN       GLU   2  39.634 -34.839 -18.427
   10    HA   GLU   2           HA       GLU   2  40.908 -34.026 -20.925
   11   1HB   GLU   2           HB2      GLU   2  39.431 -32.043 -20.717
   12   2HB   GLU   2           HB1      GLU   2  38.540 -33.548 -20.523
   13   1HG   GLU   2           HG2      GLU   2  38.681 -33.314 -18.064
   14   2HG   GLU   2           HG1      GLU   2  39.541 -31.787 -18.265
   15    H    LEU   3           HN       LEU   3  40.822 -31.113 -20.095
   16    HA   LEU   3           HA       LEU   3  43.597 -30.966 -19.208
   17   1HB   LEU   3           HB2      LEU   3  41.675 -28.639 -19.424
   18   2HB   LEU   3           HB1      LEU   3  43.426 -28.607 -19.530
   19    HG   LEU   3           HG       LEU   3  42.761 -28.418 -21.774
   20   1HD1  LEU   3          2HD1      LEU   3  44.399 -30.306 -21.291
   21   2HD1  LEU   3          1HD1      LEU   3  43.041 -31.415 -21.505
   22   3HD1  LEU   3          3HD1      LEU   3  43.564 -30.391 -22.842
   23   1HD2  LEU   3          3HD2      LEU   3  40.307 -29.372 -21.050
   24   2HD2  LEU   3          2HD2      LEU   3  40.838 -29.223 -22.719
   25   3HD2  LEU   3          1HD2      LEU   3  40.944 -30.778 -21.905
   26    H    ASP   4           HN       ASP   4  43.473 -28.664 -17.552
   27    HA   ASP   4           HA       ASP   4  41.849 -29.483 -15.196
   28   1HB   ASP   4           HB2      ASP   4  44.196 -30.548 -15.134
   29   2HB   ASP   4           HB1      ASP   4  44.805 -28.909 -14.904
   30    H    VAL   5           HN       VAL   5  40.961 -27.390 -16.354
   31    HA   VAL   5           HA       VAL   5  42.250 -24.981 -15.115
   32    HB   VAL   5           HB       VAL   5  40.763 -23.869 -17.048
   33   1HG1  VAL   5          3HG1      VAL   5  43.442 -25.226 -17.414
   34   2HG1  VAL   5          2HG1      VAL   5  42.755 -24.110 -18.594
   35   3HG1  VAL   5          1HG1      VAL   5  43.142 -23.546 -16.969
   36   1HG2  VAL   5          3HG2      VAL   5  39.914 -26.242 -17.626
   37   2HG2  VAL   5          2HG2      VAL   5  40.437 -25.221 -18.963
   38   3HG2  VAL   5          1HG2      VAL   5  41.500 -26.490 -18.355
   39    HA   PRO   6           HA       PRO   6  38.478 -24.504 -12.843
   40   1HB   PRO   6           HB2      PRO   6  38.273 -21.773 -12.626
   41   2HB   PRO   6           HB1      PRO   6  39.469 -22.729 -11.728
   42   1HG   PRO   6           HG2      PRO   6  39.820 -21.151 -14.241
   43   2HG   PRO   6           HG1      PRO   6  40.890 -21.276 -12.833
   44   1HD   PRO   6           HD2      PRO   6  41.342 -22.670 -15.136
   45   2HD   PRO   6           HD1      PRO   6  41.806 -23.296 -13.539
   46    H    GLU   7           HN       GLU   7  38.353 -24.491 -15.922
   47    HA   GLU   7           HA       GLU   7  36.360 -22.628 -16.749
   48   1HB   GLU   7           HB2      GLU   7  35.917 -24.248 -18.599
   49   2HB   GLU   7           HB1      GLU   7  37.633 -23.899 -18.398
   50   1HG   GLU   7           HG2      GLU   7  37.707 -25.990 -16.893
   51   2HG   GLU   7           HG1      GLU   7  36.120 -26.377 -17.559
   52    H    GLN   8           HN       GLN   8  36.077 -25.983 -15.594
   53    HA   GLN   8           HA       GLN   8  33.269 -26.215 -15.660
   54   1HB   GLN   8           HB2      GLN   8  34.973 -27.270 -13.395
   55   2HB   GLN   8           HB1      GLN   8  33.493 -27.959 -14.053
   56   1HG   GLN   8           HG2      GLN   8  34.742 -28.206 -16.264
   57   2HG   GLN   8           HG1      GLN   8  36.212 -27.840 -15.361
   58   1HE2  GLN   8          1HE2      GLN   8  33.359 -30.052 -15.122
   59   2HE2  GLN   8          2HE2      GLN   8  34.249 -31.365 -14.520
   60    H    VAL   9           HN       VAL   9  35.281 -25.157 -12.903
   61    HA   VAL   9           HA       VAL   9  33.296 -24.365 -11.124
   62    HB   VAL   9           HB       VAL   9  35.914 -22.972 -11.768
   63   1HG1  VAL   9          1HG1      VAL   9  33.936 -22.615  -9.510
   64   2HG1  VAL   9          3HG1      VAL   9  35.634 -22.161  -9.349
   65   3HG1  VAL   9          2HG1      VAL   9  34.624 -21.380 -10.564
   66   1HG2  VAL   9          1HG2      VAL   9  35.098 -25.069  -9.737
   67   2HG2  VAL   9          3HG2      VAL   9  36.249 -25.260 -11.059
   68   3HG2  VAL   9          2HG2      VAL   9  36.640 -24.214  -9.693
   69    H    ASP  10           HN       ASP  10  34.127 -22.927 -14.179
   70    HA   ASP  10           HA       ASP  10  32.940 -20.339 -13.695
   71   1HB   ASP  10           HB2      ASP  10  34.507 -21.121 -15.650
   72   2HB   ASP  10           HB1      ASP  10  33.008 -21.637 -16.423
   73    H    LYS  11           HN       LYS  11  31.728 -23.038 -15.703
   74    HA   LYS  11           HA       LYS  11  29.131 -22.284 -16.156
   75   1HB   LYS  11           HB2      LYS  11  30.170 -25.015 -15.357
   76   2HB   LYS  11           HB1      LYS  11  28.486 -24.760 -15.796
   77   1HG   LYS  11           HG2      LYS  11  29.232 -25.229 -17.920
   78   2HG   LYS  11           HG1      LYS  11  29.703 -23.539 -17.927
   79   1HD   LYS  11           HD2      LYS  11  31.717 -24.511 -18.556
   80   2HD   LYS  11           HD1      LYS  11  31.931 -24.490 -16.807
   81   1HE   LYS  11           HE2      LYS  11  32.508 -26.698 -17.795
   82   2HE   LYS  11           HE1      LYS  11  31.163 -26.816 -16.659
   83   1HZ   LYS  11           HZ1      LYS  11  30.226 -26.239 -19.269
   84   2HZ   LYS  11           HZ3      LYS  11  31.203 -27.625 -19.298
   85   3HZ   LYS  11           HZ2      LYS  11  29.856 -27.558 -18.266
   86    H    LEU  12           HN       LEU  12  30.379 -23.464 -13.052
   87    HA   LEU  12           HA       LEU  12  27.847 -23.546 -11.723
   88   1HB   LEU  12           HB2      LEU  12  30.714 -23.460 -10.880
   89   2HB   LEU  12           HB1      LEU  12  29.512 -23.048  -9.665
   90    HG   LEU  12           HG       LEU  12  30.199 -25.508  -9.779
   91   1HD1  LEU  12          1HD1      LEU  12  27.947 -24.504  -8.872
   92   2HD1  LEU  12          3HD1      LEU  12  27.242 -25.258 -10.301
   93   3HD1  LEU  12          2HD1      LEU  12  28.086 -26.241  -9.111
   94   1HD2  LEU  12          2HD2      LEU  12  30.052 -25.391 -12.403
   95   2HD2  LEU  12          1HD2      LEU  12  29.558 -26.864 -11.573
   96   3HD2  LEU  12          3HD2      LEU  12  28.336 -25.727 -12.145
   97    H    ILE  13           HN       ILE  13  30.379 -21.022 -11.786
   98    HA   ILE  13           HA       ILE  13  28.941 -19.067 -10.327
   99    HB   ILE  13           HB       ILE  13  30.896 -18.733 -12.627
  100   1HG1  ILE  13          2HG1      ILE  13  31.302 -18.361  -9.647
  101   2HG1  ILE  13          1HG1      ILE  13  31.653 -19.874 -10.484
  102   1HG2  ILE  13          3HG2      ILE  13  29.666 -16.730 -10.721
  103   2HG2  ILE  13          2HG2      ILE  13  31.164 -16.412 -11.596
  104   3HG2  ILE  13          1HG2      ILE  13  29.665 -16.685 -12.484
  105   1HD1  ILE  13          2HD1      ILE  13  33.167 -18.595 -12.027
  106   2HD1  ILE  13          1HD1      ILE  13  32.909 -17.168 -11.022
  107   3HD1  ILE  13          3HD1      ILE  13  33.706 -18.590 -10.348
  108    H    GLN  14           HN       GLN  14  29.046 -19.645 -13.855
  109    HA   GLN  14           HA       GLN  14  27.114 -17.688 -14.571
  110   1HB   GLN  14           HB2      GLN  14  27.971 -20.288 -15.844
  111   2HB   GLN  14           HB1      GLN  14  26.765 -19.240 -16.581
  112   1HG   GLN  14           HG2      GLN  14  28.379 -17.366 -16.558
  113   2HG   GLN  14           HG1      GLN  14  29.592 -18.432 -15.847
  114   1HE2  GLN  14          1HE2      GLN  14  29.194 -17.055 -18.671
  115   2HE2  GLN  14          2HE2      GLN  14  29.552 -18.320 -19.745
  116    H    GLN  15           HN       GLN  15  26.729 -21.184 -13.933
  117    HA   GLN  15           HA       GLN  15  23.894 -21.273 -14.216
  118   1HB   GLN  15           HB2      GLN  15  25.828 -22.950 -12.618
  119   2HB   GLN  15           HB1      GLN  15  24.104 -23.296 -12.640
  120   1HG   GLN  15           HG2      GLN  15  25.701 -22.984 -15.189
  121   2HG   GLN  15           HG1      GLN  15  25.553 -24.537 -14.366
  122   1HE2  GLN  15          1HE2      GLN  15  23.171 -25.202 -13.884
  123   2HE2  GLN  15          2HE2      GLN  15  22.016 -24.818 -15.066
  124    H    ALA  16           HN       ALA  16  25.775 -21.141 -11.150
  125    HA   ALA  16           HA       ALA  16  23.532 -20.651  -9.479
  126   1HB   ALA  16           HB2      ALA  16  26.392 -19.698  -9.147
  127   2HB   ALA  16           HB3      ALA  16  25.733 -21.227  -8.563
  128   3HB   ALA  16           HB1      ALA  16  25.169 -19.704  -7.875
  129    H    THR  17           HN       THR  17  25.413 -18.533 -11.522
  130    HA   THR  17           HA       THR  17  24.274 -16.059 -10.468
  131    HB   THR  17           HB       THR  17  25.725 -16.725 -13.039
  132    HG1  THR  17           HG1      THR  17  26.962 -14.905 -11.696
  133   1HG2  THR  17          3HG2      THR  17  24.486 -14.129 -12.128
  134   2HG2  THR  17          2HG2      THR  17  25.828 -14.170 -13.272
  135   3HG2  THR  17          1HG2      THR  17  24.295 -14.943 -13.682
  136    H    SER  18           HN       SER  18  23.772 -18.023 -13.397
  137    HA   SER  18           HA       SER  18  21.651 -16.680 -14.565
  138   1HB   SER  18           HB2      SER  18  20.998 -18.787 -15.553
  139   2HB   SER  18           HB1      SER  18  22.747 -18.799 -15.397
  140    HG   SER  18           HG       SER  18  20.864 -19.976 -13.634
  141    H    ILE  19           HN       ILE  19  20.956 -19.533 -12.421
  142    HA   ILE  19           HA       ILE  19  18.316 -19.050 -11.954
  143    HB   ILE  19           HB       ILE  19  20.578 -20.233 -10.363
  144   1HG1  ILE  19          2HG1      ILE  19  19.069 -22.248 -10.545
  145   2HG1  ILE  19          1HG1      ILE  19  17.951 -21.254 -11.470
  146   1HG2  ILE  19          3HG2      ILE  19  17.853 -19.580  -9.250
  147   2HG2  ILE  19          2HG2      ILE  19  18.732 -20.999  -8.684
  148   3HG2  ILE  19          1HG2      ILE  19  19.431 -19.391  -8.492
  149   1HD1  ILE  19          1HD1      ILE  19  20.839 -21.556 -12.283
  150   2HD1  ILE  19          3HD1      ILE  19  19.589 -22.684 -12.815
  151   3HD1  ILE  19          2HD1      ILE  19  19.479 -20.978 -13.252
  152    H    GLU  20           HN       GLU  20  20.982 -17.515 -10.066
  153    HA   GLU  20           HA       GLU  20  19.423 -16.211  -8.163
  154   1HB   GLU  20           HB2      GLU  20  21.930 -15.338  -9.593
  155   2HB   GLU  20           HB1      GLU  20  21.177 -14.302  -8.385
  156   1HG   GLU  20           HG2      GLU  20  21.804 -17.202  -7.806
  157   2HG   GLU  20           HG1      GLU  20  23.005 -15.933  -7.568
  158    H    ARG  21           HN       ARG  21  20.271 -14.779 -11.358
  159    HA   ARG  21           HA       ARG  21  18.305 -12.670 -10.952
  160   1HB   ARG  21           HB2      ARG  21  19.828 -13.368 -13.473
  161   2HB   ARG  21           HB1      ARG  21  19.031 -11.839 -13.115
  162   1HG   ARG  21           HG2      ARG  21  21.185 -12.874 -11.269
  163   2HG   ARG  21           HG1      ARG  21  21.625 -12.047 -12.758
  164   1HD   ARG  21           HD2      ARG  21  19.769 -10.894 -10.656
  165   2HD   ARG  21           HD1      ARG  21  21.482 -10.508 -10.797
  166    HE   ARG  21           HE       ARG  21  19.408  -9.361 -12.397
  167   1HH1  ARG  21          1HH1      ARG  21  19.843  -9.212 -14.744
  168   2HH1  ARG  21          2HH1      ARG  21  21.498  -8.961 -15.187
  169   1HH2  ARG  21          1HH2      ARG  21  22.732  -9.694 -12.030
  170   2HH2  ARG  21          2HH2      ARG  21  23.134  -9.234 -13.650
  171    H    LEU  22           HN       LEU  22  18.336 -15.788 -12.529
  172    HA   LEU  22           HA       LEU  22  15.999 -15.191 -14.202
  173   1HB   LEU  22           HB2      LEU  22  17.770 -17.558 -13.700
  174   2HB   LEU  22           HB1      LEU  22  16.172 -17.861 -14.375
  175    HG   LEU  22           HG       LEU  22  16.641 -16.360 -16.251
  176   1HD1  LEU  22          1HD1      LEU  22  18.158 -14.793 -15.025
  177   2HD1  LEU  22          3HD1      LEU  22  19.397 -16.048 -15.029
  178   3HD1  LEU  22          2HD1      LEU  22  18.843 -15.351 -16.547
  179   1HD2  LEU  22          2HD2      LEU  22  18.723 -18.462 -15.639
  180   2HD2  LEU  22          1HD2      LEU  22  17.280 -18.631 -16.629
  181   3HD2  LEU  22          3HD2      LEU  22  18.631 -17.658 -17.204
  182    H    CYS  23           HN       CYS  23  16.595 -16.600 -11.071
  183    HA   CYS  23           HA       CYS  23  13.785 -17.570 -10.874
  184   1HB   CYS  23           HB2      CYS  23  16.175 -17.880  -9.072
  185   2HB   CYS  23           HB1      CYS  23  14.568 -18.408  -8.622
  186    H    GLN  24           HN       GLN  24  15.533 -14.720 -10.099
  187    HA   GLN  24           HA       GLN  24  13.938 -14.050  -7.737
  188   1HB   GLN  24           HB2      GLN  24  15.994 -12.646  -9.434
  189   2HB   GLN  24           HB1      GLN  24  14.990 -11.695  -8.344
  190   1HG   GLN  24           HG2      GLN  24  15.749 -12.949  -6.428
  191   2HG   GLN  24           HG1      GLN  24  16.593 -14.108  -7.457
  192   1HE2  GLN  24          1HE2      GLN  24  16.780 -10.897  -6.030
  193   2HE2  GLN  24          2HE2      GLN  24  18.355 -10.547  -6.559
  194    H    HIS  25           HN       HIS  25  13.586 -13.867 -11.153
  195    HA   HIS  25           HA       HIS  25  11.713 -11.627 -11.146
  196   1HB   HIS  25           HB2      HIS  25  12.335 -13.689 -13.278
  197   2HB   HIS  25           HB1      HIS  25  11.365 -12.237 -13.520
  198    HD1  HIS  25           HD1      HIS  25  13.217 -10.364 -11.734
  199    HD2  HIS  25           HD2      HIS  25  14.522 -12.818 -14.842
  200    HE1  HIS  25           HE1      HIS  25  15.412  -9.391 -12.542
  201    H    TYR  26           HN       TYR  26  11.456 -15.167 -11.418
  202    HA   TYR  26           HA       TYR  26   8.503 -14.959 -11.370
  203   1HB   TYR  26           HB2      TYR  26  10.046 -17.542 -11.492
  204   2HB   TYR  26           HB1      TYR  26   8.489 -17.137 -12.198
  205    HD1  TYR  26           HD1      TYR  26  12.014 -17.385 -12.783
  206    HD2  TYR  26           HD2      TYR  26   8.448 -15.350 -14.065
  207    HE1  TYR  26           HE1      TYR  26  13.109 -16.804 -14.939
  208    HE2  TYR  26           HE2      TYR  26   9.549 -14.766 -16.208
  209    HH   TYR  26           HH       TYR  26  12.072 -16.220 -17.434
  210    H    ILE  27           HN       ILE  27   8.224 -17.552 -10.273
  211    HA   ILE  27           HA       ILE  27   8.382 -16.896  -7.368
  212    HB   ILE  27           HB       ILE  27   6.892 -19.065  -8.883
  213   1HG1  ILE  27          2HG1      ILE  27   4.914 -17.823  -7.960
  214   2HG1  ILE  27          1HG1      ILE  27   6.020 -16.608  -7.325
  215   1HG2  ILE  27          2HG2      ILE  27   7.203 -18.550  -5.919
  216   2HG2  ILE  27          1HG2      ILE  27   5.838 -19.450  -6.579
  217   3HG2  ILE  27          3HG2      ILE  27   7.481 -20.057  -6.792
  218   1HD1  ILE  27          2HD1      ILE  27   6.165 -17.314 -10.245
  219   2HD1  ILE  27          1HD1      ILE  27   4.877 -16.254  -9.678
  220   3HD1  ILE  27          3HD1      ILE  27   6.560 -15.795  -9.437
  221    H    GLY  28           HN       GLY  28   9.302 -18.439  -5.865
  222   1HA   GLY  28           HA1      GLY  28  10.696 -20.265  -5.220
  223   2HA   GLY  28           HA2      GLY  28  11.823 -19.347  -6.214
  224    H    TRP  29           HN       TRP  29   8.970 -21.039  -7.438
  225    HA   TRP  29           HA       TRP  29  10.552 -23.309  -8.415
  226   1HB   TRP  29           HB2      TRP  29   8.136 -23.461  -7.669
  227   2HB   TRP  29           HB1      TRP  29   7.703 -22.553  -9.118
  228    HD1  TRP  29           HD1      TRP  29   9.933 -25.647  -8.393
  229    HE1  TRP  29           HE1      TRP  29   9.445 -27.414 -10.201
  230    HE3  TRP  29           HE3      TRP  29   6.431 -23.146 -11.137
  231    HZ2  TRP  29           HZ2      TRP  29   7.783 -27.726 -12.516
  232    HZ3  TRP  29           HZ3      TRP  29   5.411 -24.197 -13.134
  233    HH2  TRP  29           HH2      TRP  29   6.080 -26.482 -13.827
  234    H    CYS  30           HN       CYS  30  12.029 -22.495  -9.914
  235    HA   CYS  30           HA       CYS  30  10.882 -21.144 -12.341
  236   1HB   CYS  30           HB2      CYS  30  13.574 -20.656 -12.548
  237   2HB   CYS  30           HB1      CYS  30  12.439 -19.553 -11.773
  238    HA   PRO  31           HA       PRO  31  12.004 -24.921 -14.430
  239   1HB   PRO  31           HB2      PRO  31  12.076 -24.041 -17.034
  240   2HB   PRO  31           HB1      PRO  31  10.567 -24.289 -16.132
  241   1HG   PRO  31           HG2      PRO  31  12.055 -21.752 -16.664
  242   2HG   PRO  31           HG1      PRO  31  10.309 -22.065 -16.712
  243   1HD   PRO  31           HD2      PRO  31  11.519 -20.849 -14.585
  244   2HD   PRO  31           HD1      PRO  31  10.074 -21.870 -14.408
  245    H    PHE  32           HN       PHE  32  14.207 -22.817 -13.606
  246    HA   PHE  32           HA       PHE  32  16.312 -23.655 -15.570
  247   1HB   PHE  32           HB2      PHE  32  16.204 -21.406 -13.546
  248   2HB   PHE  32           HB1      PHE  32  17.659 -21.838 -14.445
  249    HD1  PHE  32           HD1      PHE  32  14.809 -19.766 -14.475
  250    HD2  PHE  32           HD2      PHE  32  17.271 -22.139 -17.075
  251    HE1  PHE  32           HE1      PHE  32  14.022 -18.450 -16.423
  252    HE2  PHE  32           HE2      PHE  32  16.477 -20.827 -19.022
  253    HZ   PHE  32           HZ       PHE  32  14.851 -18.984 -18.699
  254    H    TRP  33           HN       TRP  33  15.058 -24.526 -12.609
  255    HA   TRP  33           HA       TRP  33  17.582 -25.151 -11.249
  256   1HB   TRP  33           HB2      TRP  33  14.660 -25.656 -10.722
  257   2HB   TRP  33           HB1      TRP  33  15.866 -26.547  -9.797
  258    HD1  TRP  33           HD1      TRP  33  16.709 -23.045 -10.865
  259    HE1  TRP  33           HE1      TRP  33  16.764 -21.496  -8.818
  260    HE3  TRP  33           HE3      TRP  33  14.696 -26.172  -7.383
  261    HZ2  TRP  33           HZ2      TRP  33  16.011 -21.568  -6.046
  262    HZ3  TRP  33           HZ3      TRP  33  14.366 -25.410  -5.049
  263    HH2  TRP  33           HH2      TRP  33  15.020 -23.114  -4.376

  No H/Q in entry =         263
  Start of MODEL   20
    1    H1   ASN   1           HT1      ASN   1  31.277  -6.563 -16.610
    2    H2   ASN   1           HT3      ASN   1  32.318  -5.564 -15.718
    3    H3   ASN   1           HT2      ASN   1  31.459  -6.805 -14.938
    4    HA   ASN   1           HA       ASN   1  30.258  -4.916 -14.383
    5   1HB   ASN   1           HB2      ASN   1  30.663  -4.109 -17.278
    6   2HB   ASN   1           HB1      ASN   1  29.650  -3.226 -16.135
    7   1HD2  ASN   1          1HD2      ASN   1  31.045  -1.329 -16.135
    8   2HD2  ASN   1          2HD2      ASN   1  32.583  -1.355 -15.418
    9    H    GLU   2           HN       GLU   2  29.065  -7.127 -14.391
   10    HA   GLU   2           HA       GLU   2  27.196  -7.551 -16.600
   11   1HB   GLU   2           HB2      GLU   2  26.223  -9.262 -14.926
   12   2HB   GLU   2           HB1      GLU   2  27.848  -9.555 -15.538
   13   1HG   GLU   2           HG2      GLU   2  27.488  -7.957 -13.008
   14   2HG   GLU   2           HG1      GLU   2  27.383  -9.715 -12.946
   15    H    LEU   3           HN       LEU   3  25.716  -7.963 -13.531
   16    HA   LEU   3           HA       LEU   3  23.848  -5.738 -14.157
   17   1HB   LEU   3           HB2      LEU   3  23.612  -7.752 -11.901
   18   2HB   LEU   3           HB1      LEU   3  22.357  -6.687 -12.515
   19    HG   LEU   3           HG       LEU   3  21.785  -8.704 -13.527
   20   1HD1  LEU   3          1HD1      LEU   3  22.136  -6.894 -15.232
   21   2HD1  LEU   3          3HD1      LEU   3  23.718  -7.596 -15.580
   22   3HD1  LEU   3          2HD1      LEU   3  22.253  -8.528 -15.883
   23   1HD2  LEU   3          2HD2      LEU   3  24.644  -9.334 -13.224
   24   2HD2  LEU   3          1HD2      LEU   3  23.248 -10.398 -13.217
   25   3HD2  LEU   3          3HD2      LEU   3  23.981  -9.922 -14.744
   26    H    ASP   4           HN       ASP   4  24.078  -3.820 -13.177
   27    HA   ASP   4           HA       ASP   4  24.960  -3.650 -10.379
   28   1HB   ASP   4           HB2      ASP   4  27.083  -3.708 -11.763
   29   2HB   ASP   4           HB1      ASP   4  26.549  -2.208 -12.522
   30    H    VAL   5           HN       VAL   5  22.775  -2.785 -10.262
   31    HA   VAL   5           HA       VAL   5  22.450  -0.058 -11.448
   32    HB   VAL   5           HB       VAL   5  19.953  -0.626 -10.755
   33   1HG1  VAL   5          2HG1      VAL   5  20.757  -0.301 -13.073
   34   2HG1  VAL   5          1HG1      VAL   5  21.316  -1.973 -13.105
   35   3HG1  VAL   5          3HG1      VAL   5  19.592  -1.622 -12.975
   36   1HG2  VAL   5          2HG2      VAL   5  20.790  -2.764  -9.607
   37   2HG2  VAL   5          1HG2      VAL   5  19.419  -2.949 -10.700
   38   3HG2  VAL   5          3HG2      VAL   5  21.038  -3.410 -11.230
   39    HA   PRO   6           HA       PRO   6  22.716   1.406  -7.231
   40   1HB   PRO   6           HB2      PRO   6  21.480   3.845  -7.467
   41   2HB   PRO   6           HB1      PRO   6  23.105   3.518  -8.099
   42   1HG   PRO   6           HG2      PRO   6  20.497   3.592  -9.549
   43   2HG   PRO   6           HG1      PRO   6  22.081   4.214 -10.047
   44   1HD   PRO   6           HD2      PRO   6  21.066   1.835 -10.962
   45   2HD   PRO   6           HD1      PRO   6  22.809   2.142 -10.793
   46    H    GLU   7           HN       GLU   7  20.298  -0.256  -8.023
   47    HA   GLU   7           HA       GLU   7  17.931   0.873  -6.913
   48   1HB   GLU   7           HB2      GLU   7  17.206  -1.506  -6.625
   49   2HB   GLU   7           HB1      GLU   7  17.833  -1.168  -8.239
   50   1HG   GLU   7           HG2      GLU   7  20.072  -2.019  -7.477
   51   2HG   GLU   7           HG1      GLU   7  19.315  -2.503  -5.959
   52    H    GLN   8           HN       GLN   8  20.719  -0.664  -5.472
   53    HA   GLN   8           HA       GLN   8  19.512  -0.823  -2.811
   54   1HB   GLN   8           HB2      GLN   8  22.454  -1.021  -3.427
   55   2HB   GLN   8           HB1      GLN   8  21.555  -1.762  -2.111
   56   1HG   GLN   8           HG2      GLN   8  20.258  -3.051  -3.885
   57   2HG   GLN   8           HG1      GLN   8  21.471  -2.491  -5.038
   58   1HE2  GLN   8          1HE2      GLN   8  21.130  -4.323  -1.969
   59   2HE2  GLN   8          2HE2      GLN   8  22.538  -5.247  -2.186
   60    H    VAL   9           HN       VAL   9  22.301   0.990  -4.138
   61    HA   VAL   9           HA       VAL   9  22.760   2.719  -2.010
   62    HB   VAL   9           HB       VAL   9  22.847   3.295  -4.988
   63   1HG1  VAL   9          3HG1      VAL   9  23.758   4.926  -2.613
   64   2HG1  VAL   9          2HG1      VAL   9  24.485   5.123  -4.208
   65   3HG1  VAL   9          1HG1      VAL   9  22.766   5.443  -3.977
   66   1HG2  VAL   9          2HG2      VAL   9  24.327   1.484  -4.066
   67   2HG2  VAL   9          1HG2      VAL   9  25.224   2.842  -4.746
   68   3HG2  VAL   9          3HG2      VAL   9  25.055   2.684  -2.997
   69    H    ASP  10           HN       ASP  10  20.002   2.621  -4.117
   70    HA   ASP  10           HA       ASP  10  19.049   5.295  -3.755
   71   1HB   ASP  10           HB2      ASP  10  17.649   2.671  -4.300
   72   2HB   ASP  10           HB1      ASP  10  16.763   4.189  -4.158
   73    H    LYS  11           HN       LYS  11  17.678   2.398  -2.216
   74    HA   LYS  11           HA       LYS  11  16.184   3.412  -0.192
   75   1HB   LYS  11           HB2      LYS  11  18.183   1.147   0.035
   76   2HB   LYS  11           HB1      LYS  11  17.054   1.540   1.326
   77   1HG   LYS  11           HG2      LYS  11  15.683   0.044   0.246
   78   2HG   LYS  11           HG1      LYS  11  15.314   1.411  -0.791
   79   1HD   LYS  11           HD2      LYS  11  15.891  -0.197  -2.376
   80   2HD   LYS  11           HD1      LYS  11  17.440   0.608  -2.136
   81   1HE   LYS  11           HE2      LYS  11  17.613  -1.892  -2.091
   82   2HE   LYS  11           HE1      LYS  11  18.165  -1.135  -0.597
   83   1HZ   LYS  11           HZ3      LYS  11  15.392  -2.107  -0.951
   84   2HZ   LYS  11           HZ2      LYS  11  16.635  -3.114  -0.379
   85   3HZ   LYS  11           HZ1      LYS  11  16.192  -1.725   0.495
   86    H    LEU  12           HN       LEU  12  19.729   3.448  -0.183
   87    HA   LEU  12           HA       LEU  12  20.004   4.476   2.479
   88   1HB   LEU  12           HB2      LEU  12  21.753   4.241   0.068
   89   2HB   LEU  12           HB1      LEU  12  22.259   5.379   1.308
   90    HG   LEU  12           HG       LEU  12  23.174   2.996   1.510
   91   1HD1  LEU  12          3HD1      LEU  12  22.895   4.771   3.412
   92   2HD1  LEU  12          2HD1      LEU  12  21.594   3.723   3.973
   93   3HD1  LEU  12          1HD1      LEU  12  23.236   3.099   3.848
   94   1HD2  LEU  12          1HD2      LEU  12  20.773   2.066   0.983
   95   2HD2  LEU  12          3HD2      LEU  12  21.793   1.221   2.145
   96   3HD2  LEU  12          2HD2      LEU  12  20.503   2.278   2.718
   97    H    ILE  13           HN       ILE  13  19.881   6.063  -0.705
   98    HA   ILE  13           HA       ILE  13  20.201   8.732   0.179
   99    HB   ILE  13           HB       ILE  13  18.478   7.645  -2.073
  100   1HG1  ILE  13          2HG1      ILE  13  21.237   8.909  -2.128
  101   2HG1  ILE  13          1HG1      ILE  13  20.958   7.168  -2.134
  102   1HG2  ILE  13          3HG2      ILE  13  19.360  10.460  -1.379
  103   2HG2  ILE  13          2HG2      ILE  13  18.768  10.005  -2.976
  104   3HG2  ILE  13          1HG2      ILE  13  17.709   9.870  -1.573
  105   1HD1  ILE  13          1HD1      ILE  13  19.479   7.556  -4.186
  106   2HD1  ILE  13          3HD1      ILE  13  20.155   9.183  -4.241
  107   3HD1  ILE  13          2HD1      ILE  13  21.211   7.782  -4.426
  108    H    GLN  14           HN       GLN  14  17.183   6.880  -0.286
  109    HA   GLN  14           HA       GLN  14  15.424   8.850   0.760
  110   1HB   GLN  14           HB2      GLN  14  15.287   5.836   0.591
  111   2HB   GLN  14           HB1      GLN  14  13.974   6.781   1.286
  112   1HG   GLN  14           HG2      GLN  14  13.720   8.039  -0.787
  113   2HG   GLN  14           HG1      GLN  14  15.111   7.211  -1.489
  114   1HE2  GLN  14          1HE2      GLN  14  11.777   6.664  -0.311
  115   2HE2  GLN  14          2HE2      GLN  14  11.530   5.233  -1.189
  116    H    GLN  15           HN       GLN  15  17.078   6.129   2.375
  117    HA   GLN  15           HA       GLN  15  16.023   6.662   4.987
  118   1HB   GLN  15           HB2      GLN  15  18.502   5.236   4.021
  119   2HB   GLN  15           HB1      GLN  15  18.106   5.353   5.729
  120   1HG   GLN  15           HG2      GLN  15  16.152   4.298   3.674
  121   2HG   GLN  15           HG1      GLN  15  17.275   3.251   4.543
  122   1HE2  GLN  15          1HE2      GLN  15  17.002   3.065   6.905
  123   2HE2  GLN  15          2HE2      GLN  15  15.536   3.499   7.643
  124    H    ALA  16           HN       ALA  16  19.326   7.354   3.736
  125    HA   ALA  16           HA       ALA  16  20.127   9.007   5.883
  126   1HB   ALA  16           HB2      ALA  16  21.729   8.302   4.193
  127   2HB   ALA  16           HB3      ALA  16  21.688  10.064   4.234
  128   3HB   ALA  16           HB1      ALA  16  20.857   9.192   2.945
  129    H    THR  17           HN       THR  17  18.199   9.739   3.018
  130    HA   THR  17           HA       THR  17  18.083  12.592   3.401
  131    HB   THR  17           HB       THR  17  16.195  10.630   2.062
  132    HG1  THR  17           HG1      THR  17  17.122  12.249   0.331
  133   1HG2  THR  17          2HG2      THR  17  16.021  13.635   2.318
  134   2HG2  THR  17          1HG2      THR  17  15.217  12.750   1.022
  135   3HG2  THR  17          3HG2      THR  17  14.783  12.439   2.704
  136    H    SER  18           HN       SER  18  15.809   9.981   4.254
  137    HA   SER  18           HA       SER  18  13.900  11.396   5.683
  138   1HB   SER  18           HB2      SER  18  13.393   9.346   6.808
  139   2HB   SER  18           HB1      SER  18  14.025   8.880   5.237
  140    HG   SER  18           HG       SER  18  15.195   7.678   6.579
  141    H    ILE  19           HN       ILE  19  16.320   9.603   7.644
  142    HA   ILE  19           HA       ILE  19  16.215  10.883   9.984
  143    HB   ILE  19           HB       ILE  19  18.501   9.786   8.364
  144   1HG1  ILE  19          2HG1      ILE  19  18.523   8.140  10.239
  145   2HG1  ILE  19          1HG1      ILE  19  17.200   9.022  10.998
  146   1HG2  ILE  19          3HG2      ILE  19  18.787  11.138  11.054
  147   2HG2  ILE  19          2HG2      ILE  19  19.951   9.977  10.430
  148   3HG2  ILE  19          1HG2      ILE  19  19.678  11.495   9.578
  149   1HD1  ILE  19          1HD1      ILE  19  17.054   7.870   8.198
  150   2HD1  ILE  19          3HD1      ILE  19  16.468   7.031   9.635
  151   3HD1  ILE  19          2HD1      ILE  19  15.724   8.554   9.146
  152    H    GLU  20           HN       GLU  20  18.271  12.158   7.322
  153    HA   GLU  20           HA       GLU  20  19.309  14.382   8.621
  154   1HB   GLU  20           HB2      GLU  20  18.409  13.998   5.764
  155   2HB   GLU  20           HB1      GLU  20  19.121  15.522   6.295
  156   1HG   GLU  20           HG2      GLU  20  21.162  14.431   6.958
  157   2HG   GLU  20           HG1      GLU  20  20.449  12.835   6.726
  158    H    ARG  21           HN       ARG  21  16.263  14.505   6.703
  159    HA   ARG  21           HA       ARG  21  15.596  17.092   7.809
  160   1HB   ARG  21           HB2      ARG  21  14.010  15.091   6.186
  161   2HB   ARG  21           HB1      ARG  21  13.390  16.676   6.643
  162   1HG   ARG  21           HG2      ARG  21  16.080  16.546   5.298
  163   2HG   ARG  21           HG1      ARG  21  14.645  16.303   4.307
  164   1HD   ARG  21           HD2      ARG  21  14.761  18.647   6.193
  165   2HD   ARG  21           HD1      ARG  21  15.576  18.733   4.631
  166    HE   ARG  21           HE       ARG  21  13.083  17.862   3.920
  167   1HH1  ARG  21          1HH1      ARG  21  11.208  18.803   5.456
  168   2HH1  ARG  21          2HH1      ARG  21  11.184  20.533   5.385
  169   1HH2  ARG  21          1HH2      ARG  21  14.364  20.788   4.030
  170   2HH2  ARG  21          2HH2      ARG  21  12.970  21.657   4.577
  171    H    LEU  22           HN       LEU  22  14.988  13.810   8.803
  172    HA   LEU  22           HA       LEU  22  12.702  14.549  10.514
  173   1HB   LEU  22           HB2      LEU  22  14.104  12.027   9.714
  174   2HB   LEU  22           HB1      LEU  22  13.236  12.010  11.249
  175    HG   LEU  22           HG       LEU  22  11.179  12.714  10.123
  176   1HD1  LEU  22          3HD1      LEU  22  12.916  12.708   7.646
  177   2HD1  LEU  22          2HD1      LEU  22  11.156  12.765   7.610
  178   3HD1  LEU  22          1HD1      LEU  22  12.064  14.088   8.338
  179   1HD2  LEU  22          2HD2      LEU  22  12.150  10.226  10.092
  180   2HD2  LEU  22          1HD2      LEU  22  10.656  10.627   9.253
  181   3HD2  LEU  22          3HD2      LEU  22  12.166  10.498   8.358
  182    H    CYS  23           HN       CYS  23  15.973  13.246  11.071
  183    HA   CYS  23           HA       CYS  23  15.762  13.495  13.939
  184   1HB   CYS  23           HB2      CYS  23  18.117  13.053  12.118
  185   2HB   CYS  23           HB1      CYS  23  18.236  13.035  13.868
  186    H    GLN  24           HN       GLN  24  16.714  15.823  11.499
  187    HA   GLN  24           HA       GLN  24  18.337  17.398  13.318
  188   1HB   GLN  24           HB2      GLN  24  17.142  17.783  10.588
  189   2HB   GLN  24           HB1      GLN  24  17.712  19.201  11.458
  190   1HG   GLN  24           HG2      GLN  24  19.373  17.953   9.877
  191   2HG   GLN  24           HG1      GLN  24  19.942  18.474  11.459
  192   1HE2  GLN  24          1HE2      GLN  24  17.986  15.594  10.476
  193   2HE2  GLN  24          2HE2      GLN  24  19.045  14.462  11.168
  194    H    HIS  25           HN       HIS  25  14.978  16.907  12.892
  195    HA   HIS  25           HA       HIS  25  14.262  19.502  14.160
  196   1HB   HIS  25           HB2      HIS  25  12.574  17.260  13.008
  197   2HB   HIS  25           HB1      HIS  25  11.917  18.724  13.741
  198    HD1  HIS  25           HD1      HIS  25  11.055  20.011  11.757
  199    HD2  HIS  25           HD2      HIS  25  14.923  18.587  11.130
  200    HE1  HIS  25           HE1      HIS  25  11.840  21.009   9.566
  201    H    TYR  26           HN       TYR  26  14.642  16.115  14.935
  202    HA   TYR  26           HA       TYR  26  13.096  16.402  17.444
  203   1HB   TYR  26           HB2      TYR  26  14.465  14.080  16.078
  204   2HB   TYR  26           HB1      TYR  26  13.825  13.956  17.708
  205    HD1  TYR  26           HD1      TYR  26  13.050  13.344  14.376
  206    HD2  TYR  26           HD2      TYR  26  11.317  15.038  17.926
  207    HE1  TYR  26           HE1      TYR  26  10.783  12.952  13.459
  208    HE2  TYR  26           HE2      TYR  26   9.053  14.645  17.006
  209    HH   TYR  26           HH       TYR  26   8.074  12.901  15.218
  210    H    ILE  27           HN       ILE  27  14.382  14.929  19.202
  211    HA   ILE  27           HA       ILE  27  16.724  16.589  19.921
  212    HB   ILE  27           HB       ILE  27  15.177  14.454  21.421
  213   1HG1  ILE  27          2HG1      ILE  27  14.563  16.413  22.850
  214   2HG1  ILE  27          1HG1      ILE  27  15.432  17.465  21.734
  215   1HG2  ILE  27          1HG2      ILE  27  17.641  16.032  22.189
  216   2HG2  ILE  27          3HG2      ILE  27  16.560  15.330  23.393
  217   3HG2  ILE  27          2HG2      ILE  27  17.406  14.285  22.253
  218   1HD1  ILE  27          1HD1      ILE  27  13.314  15.634  20.638
  219   2HD1  ILE  27          3HD1      ILE  27  12.825  17.108  21.472
  220   3HD1  ILE  27          2HD1      ILE  27  13.853  17.206  20.046
  221    H    GLY  28           HN       GLY  28  18.739  15.572  20.646
  222   1HA   GLY  28           HA1      GLY  28  20.435  13.904  20.616
  223   2HA   GLY  28           HA2      GLY  28  20.134  14.056  18.887
  224    H    TRP  29           HN       TRP  29  18.173  12.581  21.501
  225    HA   TRP  29           HA       TRP  29  18.697   9.876  20.633
  226   1HB   TRP  29           HB2      TRP  29  17.880  10.353  22.906
  227   2HB   TRP  29           HB1      TRP  29  16.382  11.006  22.244
  228    HD1  TRP  29           HD1      TRP  29  18.378   7.714  21.793
  229    HE1  TRP  29           HE1      TRP  29  16.708   5.757  21.804
  230    HE3  TRP  29           HE3      TRP  29  14.014  10.293  22.396
  231    HZ2  TRP  29           HZ2      TRP  29  13.880   5.338  22.044
  232    HZ3  TRP  29           HZ3      TRP  29  11.849   9.094  22.513
  233    HH2  TRP  29           HH2      TRP  29  11.776   6.621  22.338
  234    H    CYS  30           HN       CYS  30  18.325   9.991  18.307
  235    HA   CYS  30           HA       CYS  30  15.525  10.512  17.450
  236   1HB   CYS  30           HB2      CYS  30  17.588  11.587  16.354
  237   2HB   CYS  30           HB1      CYS  30  17.906   9.994  15.669
  238    HA   PRO  31           HA       PRO  31  15.616   5.912  17.305
  239   1HB   PRO  31           HB2      PRO  31  12.913   5.485  17.463
  240   2HB   PRO  31           HB1      PRO  31  13.925   5.804  18.883
  241   1HG   PRO  31           HG2      PRO  31  12.090   7.634  17.424
  242   2HG   PRO  31           HG1      PRO  31  12.456   7.544  19.156
  243   1HD   PRO  31           HD2      PRO  31  13.535   9.424  17.404
  244   2HD   PRO  31           HD1      PRO  31  14.254   8.979  18.967
  245    H    PHE  32           HN       PHE  32  16.234   6.887  15.004
  246    HA   PHE  32           HA       PHE  32  14.214   5.852  13.042
  247   1HB   PHE  32           HB2      PHE  32  15.844   8.399  12.899
  248   2HB   PHE  32           HB1      PHE  32  15.084   7.673  11.484
  249    HD1  PHE  32           HD1      PHE  32  14.304   8.837  14.963
  250    HD2  PHE  32           HD2      PHE  32  12.833   8.155  10.986
  251    HE1  PHE  32           HE1      PHE  32  12.148   9.900  15.577
  252    HE2  PHE  32           HE2      PHE  32  10.680   9.224  11.598
  253    HZ   PHE  32           HZ       PHE  32  10.337  10.091  13.897
  254    H    TRP  33           HN       TRP  33  17.624   6.573  13.740
  255    HA   TRP  33           HA       TRP  33  18.866   5.521  11.475
  256   1HB   TRP  33           HB2      TRP  33  19.649   5.316  14.391
  257   2HB   TRP  33           HB1      TRP  33  20.699   4.768  13.085
  258    HD1  TRP  33           HD1      TRP  33  20.728   6.857  10.997
  259    HE1  TRP  33           HE1      TRP  33  21.396   9.308  11.415
  260    HE3  TRP  33           HE3      TRP  33  19.972   7.125  16.039
  261    HZ2  TRP  33           HZ2      TRP  33  21.593  11.144  13.606
  262    HZ3  TRP  33           HZ3      TRP  33  20.407   9.233  17.266
  263    HH2  TRP  33           HH2      TRP  33  21.216  11.241  16.057

  No H/Q in entry =         263