*HEADER   HIRUDIN                                 30-APR-92   1HIC    
*COMPND   HIRUDIN VARIANT 1 (RESIDUES 1 - 51) (NMR, 20 STRUCTURES)    
*SOURCE   (HIRUDO MEDICINALIS)                                        
*AUTHOR   T.SZYPERSKI,P.GUNTERT,S.R.STONE,K.WUTHRICH                  
*REVDAT  1   31-JAN-94 1HIC    0                                      

REMARK   1                                                              1HIC   8
REMARK   1 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION   1HIC   9
REMARK   1 OF THE THREE-DIMENSIONAL STRUCTURE OF HIRUDIN(1-51) OF       1HIC  10
REMARK   1 HIRUDIN VARIANT HV-1 BY NUCLEAR MAGNETIC RESONANCE IN        1HIC  11
REMARK   1 SOLUTION.                                                    1HIC  12
REMARK   1 THE DIFFERENT KINDS OF DATA TOGETHER WITH THE CORRESPONDING  1HIC  13
REMARK   1 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE. SEE     1HIC  14
REMARK   1 REMARK 2 FOR THE DETAILS.                                    1HIC  15
REMARK   1                                                              1HIC  16
REMARK   1 RECORD CONTENT                                     UNIT      1HIC  17
REMARK   1 ------ ------------------------------------------- --------- 1HIC  18
REMARK   1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED PROTONS     PPM       1HIC  19
REMARK   1 JCOUPL VICINAL 1H-1H SCALAR COUPLING CONSTANTS     HERTZ     1HIC  20
REMARK   1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1HIC  21
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            1HIC  22
REMARK   1 SSUPP  UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1HIC  23
REMARK   1        FOR DISULPHIDE BRIDGES                                1HIC  24
REMARK   1 SSLOW  LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1HIC  25
REMARK   1        FOR DISULPHIDE BRIDGES                                1HIC  26
REMARK   1 ANGLE  TORSION ANGLE CONSTRAINTS IN THE FORM OF    DEGREES   1HIC  27
REMARK   1        AN ALLOWED INTERVAL                                   1HIC  28
REMARK   1                                                              1HIC  29
REMARK   1 ALL EXPERIMENTAL INPUT DATA (EXCEPT THE AMINO ACID SEQUENCE) 1HIC  30
REMARK   1 FOR THE DISTANCE GEOMETRY CALCULATIONS WITH THE PROGRAM      1HIC  31
REMARK   1 DIANA AND REFINEMENT WITH AMBER IS GIVEN IN THE RECORDS      1HIC  32
REMARK   1 NOEUPP, SSUPP, SSLOW AND ANGLE.                              1HIC  33
REMARK   2                                                              1HIC  34
REMARK   2                                                              1HIC  35
REMARK   2 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE        1HIC  36
REMARK   2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE     1HIC  37
REMARK   2 MASTER RECORD.                                               1HIC  38
REMARK   2                                                              1HIC  39
REMARK   2 RECORD CONTENTS (FORTRAN FORMAT)                             1HIC  40
REMARK   2 ------ ----------------------------------------------------- 1HIC  41
REMARK   2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL     1HIC  42
REMARK   2        SHIFT(S), ATOM NAME, CHEMICAL SHIFT(S), ATOM NAME,    1HIC  43
REMARK   2        CHEMICAL SHIFT(S)                                     1HIC  44
REMARK   2        ('SHIFTS',2X,A4,I4,2X,3(A4,2F6.2,2X))                 1HIC  45
REMARK   2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM   1HIC  46
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      1HIC  47
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      1HIC  48
REMARK   2        NAME, J-COUPLING CONSTANT                             1HIC  49
REMARK   2        ('JCOUPL',2X,A4,I4,2X,3(A4,1X,A4,F6.2,3X))            1HIC  50
REMARK   2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM  1HIC  51
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     1HIC  52
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM    1HIC  53
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     1HIC  54
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT                1HIC  55
REMARK   2        ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))   1HIC  56
REMARK   2 SSUPP  SIMILAR TO NOEUPP                                     1HIC  57
REMARK   2 SSLOW  SIMILAR TO NOEUPP                                     1HIC  58
REMARK   2 ANGLE  RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND   1HIC  59
REMARK   2        UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND        1HIC  60
REMARK   2        ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X))                  1HIC  61
REMARK   2 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS,   1HIC  62
REMARK   2        NUMBER OF SHIFTS RECORDS, NUMBER OF JCOUPL RECORDS,   1HIC  63
REMARK   2        NUMBER OF NOEUPP, HBUPP AND SSUPP RECORDS, NUMBER OF  1HIC  64
REMARK   2        NOELOW, HBLOW AND SSLOW RECORDS, NUMBER OF ANGLE      1HIC  65
REMARK   2        RECORDS                                               1HIC  66
REMARK   2        ('MASTER',4X,7I5)                                     1HIC  67
REMARK   3                                                              1HIC  68
REMARK   3 ATOM NAMES HAVE BEEN ASSIGNED FOLLOWING THE RECOMMENDATIONS  1HIC  69
REMARK   3 OF THE IUPAC-IUB COMMISSION AS PUBLISHED IN BIOCHEMISTRY     1HIC  70
REMARK   3 (1970) VOL. 9, 3471-3479, EXCEPT THAT BACKBONE AMIDE         1HIC  71
REMARK   3 HYDROGENS ARE DENOTED BY HN INSTEAD OF H. THE HYDROGEN ATOM  1HIC  72
REMARK   3 NUMBERS OF THOSE HYDROGEN ATOMS WHICH ARE CONNECTED TO THE   1HIC  73
REMARK   3 SAME NON-HYDROGEN ATOM ARE WRITTEN AS THE FIRST CHARACTER    1HIC  74
REMARK   3 RATHER THAN THE LAST CHARACTER OF THE ATOM NAMES.            1HIC  75
REMARK   3 THEY ARE IDENTICAL WITH THE ATOM NAMES USED IN THE CO-       1HIC  76
REMARK   3 ORDINATE FILE 1HIC.                                          1HIC  77
REMARK   4                                                              1HIC  78
REMARK   4 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE     1HIC  79
REMARK   4 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS                1HIC  80
REMARK   4 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983)    1HIC  81
REMARK   4 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL     1HIC  82
REMARK   4 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR     1HIC  83
REMARK   4 WHICH NO STEREOSPECIFIC ASSIGNMENTS HAD BEEN OBTAINED.       1HIC  84
REMARK   4 FOR ALL METHYLENE GROUPS, EVEN IN CASE OF IDENTICAL SHIFTS,  1HIC  85
REMARK   4 TWO CHEMICAL SHIFTS ARE LISTED FOR THE TWO PROTONS.          1HIC  86
REMARK   4 TWO CHEMICAL SHIFTS ARE ALSO ALWAYS GIVEN FOR THE TWO        1HIC  87
REMARK   4 METHYLS IN THE ISOPROPYL GROUPS.                             1HIC  88
REMARK   5                                                              1HIC  89
REMARK   5 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE         1HIC  90
REMARK   5 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN         1HIC  91
REMARK   5 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ...         1HIC  92
REMARK   5 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF    1HIC  93
REMARK   5 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS  1HIC  94
REMARK   5 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE      1HIC  95
REMARK   5 HYDROGEN  ATOMS ARE ATTACHED.                                1HIC  96
REMARK   5 QQG AND QQD DENOTE THE PSEUDO-ATOMS FOR THE 6 HYDROGEN       1HIC  97
REMARK   5 ATOMS OF THE ISOPROPYL METHYL GROUPS OF VAL AND LEU, RESPEC- 1HIC  98
REMARK   5 TIVELY. QR IS THE PSEUDO-ATOM FOR THE DELTA AND EPSILON      1HIC  99
REMARK   5 HYDROGENS OF THE AROMATIC RINGS OF TYR AND PHE. WHERE THE    1HIC 100
REMARK   5 DELTA AND EPSILON HYDROGENS OF THE AROMATIC RINGS HAVE BEEN  1HIC 101
REMARK   5 INDIVIDUALLY IDENTIFIED BUT ARE DEGENERATE IN THE ONE AND    1HIC 102
REMARK   5 TWO POSITIONS, THE CHEMICAL SHIFTS WERE LISTED UNDER CG AND  1HIC 103
REMARK   5 CZ RESPECTIVELY.                                             1HIC 104
REMARK   5                                                              1HIC 105
SHIFTS  VAL    1   HA   3.65         HB   1.90         QG1  0.63        1HIC 106
SHIFTS  VAL    1   QG2  0.78                                            1HIC 107
SHIFTS  VAL    2   HN   8.37         HA   4.07         HB   1.89        1HIC 108
SHIFTS  VAL    2   QG1  0.83         QG2  0.88                          1HIC 109
SHIFTS  TYR    3   HN   8.45         HA   4.97        2HB   2.65        1HIC 110
SHIFTS  TYR    3  3HB   2.79         CG   7.05         CZ   6.67        1HIC 111
SHIFTS  THR    4   HN   9.02         HA   4.70         HB   4.46        1HIC 112
SHIFTS  THR    4   QG2  1.21                                            1HIC 113
SHIFTS  ASP    5   HN   8.77         HA   4.91        2HB   2.60        1HIC 114
SHIFTS  ASP    5  3HB   2.75                                            1HIC 115
SHIFTS  CYS    6   HN   8.98         HA   4.69        2HB   2.66        1HIC 116
SHIFTS  CYS    6  3HB   3.15                                            1HIC 117
SHIFTS  THR    7   HN   9.50         HA   4.44         HB   4.49        1HIC 118
SHIFTS  THR    7   QG2  1.26                                            1HIC 119
SHIFTS  GLU    8   HN   7.38         HA   4.62        2HB   1.75        1HIC 120
SHIFTS  GLU    8  3HB   2.05        2HG   2.31        3HG   2.38        1HIC 121
SHIFTS  SER    9   HN   9.08         HA   4.88        2HB   3.96        1HIC 122
SHIFTS  SER    9  3HB   4.04                                            1HIC 123
SHIFTS  GLY   10   HN   9.73        1HA   3.31        2HA   4.60        1HIC 124
SHIFTS  GLN   11   HN   7.43         HA   5.24        2HB   2.29        1HIC 125
SHIFTS  GLN   11  3HB   2.23         QG   2.64        1HE2  7.82        1HIC 126
SHIFTS  GLN   11  2HE2  6.74                                            1HIC 127
SHIFTS  ASN   12   HN   8.18         HA   4.55        2HB   2.89        1HIC 128
SHIFTS  ASN   12  3HB   3.03        1HD2  7.48        2HD2  6.13        1HIC 129
SHIFTS  LEU   13   HN   9.21         HA   3.30        3HB   2.13        1HIC 130
SHIFTS  LEU   13   HG   1.61         QD1  0.90         QD2  1.00        1HIC 131
SHIFTS  CYS   14   HN   7.30         HA   4.99        2HB   3.38        1HIC 132
SHIFTS  CYS   14  3HB   3.12                                            1HIC 133
SHIFTS  LEU   15   HN   9.05         HA   4.30        2HB   2.02        1HIC 134
SHIFTS  LEU   15  3HB   1.41         HG   1.20         QD1  0.83        1HIC 135
SHIFTS  LEU   15   QD2  0.50                                            1HIC 136
SHIFTS  CYS   16   HN   7.49         HA   4.77        2HB   2.84        1HIC 137
SHIFTS  CYS   16  3HB   3.86                                            1HIC 138
SHIFTS  GLU   17   HN   8.64         HA   4.51         QB   2.06        1HIC 139
SHIFTS  GLU   17  2HG   2.11        3HG   2.30                          1HIC 140
SHIFTS  GLY   18   HN   8.53        1HA   3.68        2HA   3.92        1HIC 141
SHIFTS  SER   19   HN   8.74         HA   4.41        2HB   4.01        1HIC 142
SHIFTS  SER   19  3HB   3.92                                            1HIC 143
SHIFTS  ASN   20   HN   7.97         HA   4.81        2HB   3.06        1HIC 144
SHIFTS  ASN   20  3HB   2.57        1HD2  7.55        2HD2  7.07        1HIC 145
SHIFTS  VAL   21   HN   9.09         HA   3.43         HB   1.70        1HIC 146
SHIFTS  VAL   21   QQG  0.33                                            1HIC 147
SHIFTS  CYS   22   HN   8.44         HA   5.15        2HB   3.20        1HIC 148
SHIFTS  CYS   22  3HB   2.91                                            1HIC 149
SHIFTS  GLY   23   HN   9.21        1HA   3.84        2HA   4.05        1HIC 150
SHIFTS  GLN   24   HN   8.52         HA   4.05         QB   2.05        1HIC 151
SHIFTS  GLN   24   QG   2.48        1HE2  6.97        2HE2  7.69        1HIC 152
SHIFTS  GLY   25   HN   9.01        1HA   3.62        2HA   4.25        1HIC 153
SHIFTS  ASN   26   HN   8.05         HA   5.51        2HB   2.67        1HIC 154
SHIFTS  ASN   26  3HB   2.74        1HD2  6.13        2HD2  6.80        1HIC 155
SHIFTS  LYS   27   HN   9.31         HA   4.44        2HB   1.20        1HIC 156
SHIFTS  LYS   27  3HB   1.27        2HG   1.00        3HG   1.52        1HIC 157
SHIFTS  LYS   27  2HD   1.37        3HD   1.43        2HE   2.69        1HIC 158
SHIFTS  LYS   27  3HE   2.81         QZ   7.66                          1HIC 159
SHIFTS  CYS   28   HN   9.07         HA   5.39        2HB   2.86        1HIC 160
SHIFTS  CYS   28  3HB   2.95                                            1HIC 161
SHIFTS  ILE   29   HN   9.90         HA   4.31         HB   2.10        1HIC 162
SHIFTS  ILE   29   QG2  0.86        2HG1  1.42        3HG1  1.52        1HIC 163
SHIFTS  ILE   29   QD1  0.76                                            1HIC 164
SHIFTS  LEU   30   HN   8.47         HA   4.19        3HB   1.57        1HIC 165
SHIFTS  LEU   30   HG   1.43         QQD  0.62                          1HIC 166
SHIFTS  GLY   31   HN   8.97        1HA   3.53        2HA   4.04        1HIC 167
SHIFTS  SER   32   HN   8.34         HA   4.65         QB   3.81        1HIC 168
SHIFTS  ASP   33   HN   8.97         HA   4.42        2HB   2.75        1HIC 169
SHIFTS  ASP   33  3HB   2.96                                            1HIC 170
SHIFTS  GLY   34   HN   8.63        1HA   3.65        2HA   4.22        1HIC 171
SHIFTS  GLU   35   HN   7.83         HA   4.40        2HB   2.12        1HIC 172
SHIFTS  GLU   35  3HB   2.19        2HG   2.45        3HG   2.55        1HIC 173
SHIFTS  LYS   36   HN   8.39         HA   4.31        2HB   1.77        1HIC 174
SHIFTS  LYS   36  3HB   2.01         QG   1.52         QD   1.70        1HIC 175
SHIFTS  LYS   36   QE   3.00                                            1HIC 176
SHIFTS  ASN   37   HN   8.60         HA   4.80         QB   2.70        1HIC 177
SHIFTS  ASN   37  1HD2  7.91        2HD2  7.11                          1HIC 178
SHIFTS  GLN   38   HN   8.47         HA   4.74        2HB   1.96        1HIC 179
SHIFTS  GLN   38  3HB   1.78        2HG   2.21        3HG   2.31        1HIC 180
SHIFTS  GLN   38  1HE2  6.82        2HE2  7.55                          1HIC 181
SHIFTS  CYS   39   HN  10.02         HA   5.44        2HB   2.79        1HIC 182
SHIFTS  CYS   39  3HB   3.14                                            1HIC 183
SHIFTS  VAL   40   HN   9.26         HA   4.89         HB   2.35        1HIC 184
SHIFTS  VAL   40   QG1  0.90         QG2  0.85                          1HIC 185
SHIFTS  THR   41   HN   8.31         HA   4.46         HB   4.05        1HIC 186
SHIFTS  THR   41   QG2  1.29                                            1HIC 187
SHIFTS  GLY   42   HN   8.25        1HA   3.68        2HA   4.12        1HIC 188
SHIFTS  GLU   43   HN   8.15         HA   4.14         QB   1.95        1HIC 189
SHIFTS  GLU   43  2HG   2.35        3HG   2.49                          1HIC 190
SHIFTS  GLY   44   HN   7.82        1HA   4.56        2HA   3.54        1HIC 191
SHIFTS  THR   45   HN   8.17         HA   4.82         HB   3.98        1HIC 192
SHIFTS  THR   45   QG2  1.23                                            1HIC 193
SHIFTS  PRO   46   HA   4.64        2HB   1.90        3HB   2.24        1HIC 194
SHIFTS  PRO   46   QG   2.11        2HD   3.78        3HD   3.95        1HIC 195
SHIFTS  LYS   47   HN   8.45         HA   4.43        2HB   1.73        1HIC 196
SHIFTS  LYS   47  3HB   1.70        2HG   1.50        3HG   1.54        1HIC 197
SHIFTS  LYS   47  2HD   1.66        3HD   1.74        2HE   3.02        1HIC 198
SHIFTS  LYS   47  3HE   3.15         QZ   7.68                          1HIC 199
SHIFTS  PRO   48   HA   4.46        2HB   1.91        3HB   2.35        1HIC 200
SHIFTS  PRO   48  2HG   2.04        3HG   2.06        2HD   3.62        1HIC 201
SHIFTS  PRO   48  3HD   4.02                                            1HIC 202
SHIFTS  GLN   49   HN   8.67         HA   4.34        2HB   1.99        1HIC 203
SHIFTS  GLN   49  3HB   2.14        2HG   2.36        3HG   2.45        1HIC 204
SHIFTS  GLN   49  1HE2  6.93        2HE2  7.73                          1HIC 205
SHIFTS  SER   50   HN   8.43         HA   4.44         QB   3.86        1HIC 206
SHIFTS  HIS   51   HN   8.74         HA   4.76        2HB   3.22        1HIC 207
SHIFTS  HIS   51  3HB   3.31         HD1  7.34         HD2  7.34        1HIC 208
SHIFTS  HIS   51   HE1  8.61                                            1HIC 209
JCOUPL  VAL    2   HN   HA   8.90    HA   HB   9.60                     1HIC 210
JCOUPL  TYR    3   HN   HA   8.20    HA  2HB  12.00    HA  3HB   4.50   1HIC 211
JCOUPL  THR    4   HN   HA   5.80    HA   HB   2.00                     1HIC 212
JCOUPL  ASP    5   HN   HA   5.40    HA  2HB  10.00    HA  3HB   3.00   1HIC 213
JCOUPL  CYS    6   HN   HA   9.60    HA  2HB  10.00    HA  3HB   3.00   1HIC 214
JCOUPL  THR    7   HN   HA   9.80    HA   HB   2.00                     1HIC 215
JCOUPL  GLU    8   HN   HA   8.90                                       1HIC 216
JCOUPL  SER    9   HN   HA   4.30    HA  2HB   9.00    HA  3HB   3.50   1HIC 217
JCOUPL  GLN   11   HN   HA   6.30                                       1HIC 218
JCOUPL  ASN   12   HN   HA   7.70    HA  2HB   3.30    HA  3HB   4.00   1HIC 219
JCOUPL  LEU   13   HN   HA   7.10    HA  2HB   3.00    HA  3HB  11.00   1HIC 220
JCOUPL  CYS   14   HN   HA   6.80    HA  3HB   5.00    HA  2HB   2.50   1HIC 221
JCOUPL  LEU   15   HN   HA   6.10    HA  3HB   3.00    HA  2HB  12.50   1HIC 222
JCOUPL  CYS   16   HN   HA  10.20    HA  2HB   5.00    HA  3HB  12.00   1HIC 223
JCOUPL  GLU   17   HN   HA   7.70                                       1HIC 224
JCOUPL  SER   19   HN   HA   8.20                                       1HIC 225
JCOUPL  ASN   20   HN   HA   7.60    HA  3HB   5.30    HA  2HB  11.50   1HIC 226
JCOUPL  VAL   21   HN   HA   5.00                                       1HIC 227
JCOUPL  CYS   22   HN   HA   9.00    HA  3HB  11.00    HA  2HB   3.00   1HIC 228
JCOUPL  GLN   24   HN   HA   3.60                                       1HIC 229
JCOUPL  ASN   26   HN   HA   9.90    HA  2HB  10.00    HA  3HB   5.00   1HIC 230
JCOUPL  LYS   27   HN   HA   7.90                                       1HIC 231
JCOUPL  CYS   28   HN   HA   6.90    HA  2HB   4.50    HA  3HB  11.50   1HIC 232
JCOUPL  ILE   29   HN   HA   9.00    HA   HB  10.50                     1HIC 233
JCOUPL  LEU   30   HN   HA   6.20    HA  2HB   3.00    HA  3HB  11.00   1HIC 234
JCOUPL  SER   32   HN   HA   7.80                                       1HIC 235
JCOUPL  ASP   33   HN   HA   6.20                                       1HIC 236
JCOUPL  GLU   35   HN   HA   6.90                                       1HIC 237
JCOUPL  LYS   36   HN   HA   6.00                                       1HIC 238
JCOUPL  ASN   37   HN   HA   5.30                                       1HIC 239
JCOUPL  GLN   38   HN   HA   8.90    HA  2HB   5.00    HA  3HB   9.50   1HIC 240
JCOUPL  CYS   39   HN   HA   8.50    HA  2HB   5.00    HA  3HB  12.50   1HIC 241
JCOUPL  VAL   40   HN   HA   9.90                                       1HIC 242
JCOUPL  THR   41   HN   HA   3.70                                       1HIC 243
JCOUPL  GLU   43   HN   HA   5.00                                       1HIC 244
JCOUPL  THR   45   HN   HA   9.10                                       1HIC 245
JCOUPL  LYS   47   HN   HA   4.30                                       1HIC 246
JCOUPL  GLN   49   HN   HA   6.40                                       1HIC 247
JCOUPL  SER   50   HN   HA   6.60                                       1HIC 248
JCOUPL  HIS   51   HN   HA   8.20                                       1HIC 249
NOEUPP  VAL    1  HA  VAL    1  HB   3.40      HA  VAL    1  QG1  5.40  1HIC 250
NOEUPP  VAL    1  HA  VAL    1  QG2  5.20      HA  VAL    2  HN   2.50  1HIC 251
NOEUPP  VAL    1  HA  VAL    2  QG2  6.00      HB  VAL    1  QG1  5.00  1HIC 252
NOEUPP  VAL    1  HB  VAL    1  QG2  4.90      HB  TYR    3  CZ   7.00  1HIC 253
NOEUPP  VAL    1  QG1 VAL    2  HN   6.00      QG1 TYR    3  HA   6.00  1HIC 254
NOEUPP  VAL    1  QG1 TYR    3  CG   8.00      QG1 TYR    3  CZ   8.00  1HIC 255
NOEUPP  VAL    1  QG2 VAL    2  HN   6.00      QG2 TYR    3  CG   8.00  1HIC 256
NOEUPP  VAL    1  QG2 TYR    3  CZ   8.00                               1HIC 257
NOEUPP  VAL    2  HN  VAL    2  HA   3.10      HN  VAL    2  HB   2.70  1HIC 258
NOEUPP  VAL    2  HN  VAL    2  QG1  6.00      HN  VAL    2  QG2  4.60  1HIC 259
NOEUPP  VAL    2  HA  VAL    2  HB   3.30      HA  VAL    2  QG1  4.00  1HIC 260
NOEUPP  VAL    2  HA  VAL    2  QG2  4.00      HA  TYR    3  HN   2.40  1HIC 261
NOEUPP  VAL    2  HA  TYR    3  CG   7.00      HA  TYR    3  CZ   7.00  1HIC 262
NOEUPP  VAL    2  HB  VAL    2  QG1  3.70      HB  VAL    2  QG2  3.90  1HIC 263
NOEUPP  VAL    2  QG1 TYR    3  HN   5.80                               1HIC 264
NOEUPP  TYR    3  HN  TYR    3  HA   3.50      HN  TYR    3 2HB   2.80  1HIC 265
NOEUPP  TYR    3  HN  TYR    3 3HB   4.10      HN  TYR    3  CG   6.50  1HIC 266
NOEUPP  TYR    3  HA  TYR    3 2HB   3.50      HA  TYR    3 3HB   2.80  1HIC 267
NOEUPP  TYR    3  HA  TYR    3  CG   4.60      HA  TYR    3  CZ   5.60  1HIC 268
NOEUPP  TYR    3  HA  THR    4  HN   2.70      HA  THR    4  QG2  5.20  1HIC 269
NOEUPP  TYR    3  HA  LEU   15  QD1  6.00     2HB  TYR    3  CG   5.50  1HIC 270
NOEUPP  TYR    3 2HB  TYR    3  CZ   7.00     2HB  THR    4  HN   4.20  1HIC 271
NOEUPP  TYR    3 2HB  LEU   15  QD2  4.00     2HB  VAL   21  QQG  7.40  1HIC 272
NOEUPP  TYR    3 3HB  TYR    3  CG   5.80     3HB  TYR    3  CZ   7.00  1HIC 273
NOEUPP  TYR    3 3HB  THR    4  HN   3.50     3HB  LEU   15  QD2  4.60  1HIC 274
NOEUPP  TYR    3 3HB  VAL   21  QQG  7.40      CG  TYR    3  CZ   6.90  1HIC 275
NOEUPP  TYR    3  CG  THR    4  HN   7.00      CG  THR    4  QG2  8.00  1HIC 276
NOEUPP  TYR    3  CG  LEU   13  HA   7.00      CG  LEU   13  CG   9.20  1HIC 277
NOEUPP  TYR    3  CG  LEU   13  QD1  8.00      CG  LEU   13  QD2  8.00  1HIC 278
NOEUPP  TYR    3  CG  LEU   15  QD1  8.00      CG  LEU   15  QD2  8.00  1HIC 279
NOEUPP  TYR    3  CG  VAL   21  HB   7.00      CG  VAL   21  QQG  9.40  1HIC 280
NOEUPP  TYR    3  CZ  LEU   13  HA   7.00      CZ  LEU   13 3HB   7.00  1HIC 281
NOEUPP  TYR    3  CZ  LEU   13  CG   8.30      CZ  LEU   13  QD1  8.00  1HIC 282
NOEUPP  TYR    3  CZ  LEU   13  QD2  8.00      CZ  LEU   15  QD1  8.00  1HIC 283
NOEUPP  TYR    3  CZ  LEU   15  QD2  8.00      CZ  VAL   21  HB   7.00  1HIC 284
NOEUPP  TYR    3  CZ  VAL   21  QQG  9.40                               1HIC 285
NOEUPP  THR    4  HN  THR    4  HA   3.20      HN  THR    4  HB   4.70  1HIC 286
NOEUPP  THR    4  HN  THR    4  QG2  5.20      HA  THR    4  HB   2.60  1HIC 287
NOEUPP  THR    4  HA  THR    4  QG2  3.30      HA  ASP    5  HN   2.70  1HIC 288
NOEUPP  THR    4  HA  LEU   15  QD1  4.40      HA  LEU   15  QD2  6.00  1HIC 289
NOEUPP  THR    4  HB  ASP    5  HN   2.50      QG2 ASP    5  HN   5.60  1HIC 290
NOEUPP  ASP    5  HN  ASP    5  HA   3.30      HN  ASP    5 2HB   2.80  1HIC 291
NOEUPP  ASP    5  HN  ASP    5 3HB   3.50      HN  LEU   15  QD1  6.00  1HIC 292
NOEUPP  ASP    5  HA  ASP    5 2HB   3.10      HA  ASP    5 3HB   2.70  1HIC 293
NOEUPP  ASP    5  HA  CYS    6  HN   2.70      HA  LEU   15  HN   3.30  1HIC 294
NOEUPP  ASP    5  HA  LEU   15 2HB   2.40      HA  LEU   15  HG   4.30  1HIC 295
NOEUPP  ASP    5  HA  LEU   15  QD2  6.00     2HB  THR    7  QG2  6.00  1HIC 296
NOEUPP  ASP    5 3HB  CYS    6  HN   5.00                               1HIC 297
NOEUPP  CYS    6  HN  CYS    6  HA   3.40      HN  CYS    6 2HB   3.50  1HIC 298
NOEUPP  CYS    6  HN  CYS    6 3HB   4.10      HN  CYS   14 2HB   4.40  1HIC 299
NOEUPP  CYS    6  HA  CYS    6 2HB   3.10      HA  CYS    6 3HB   2.70  1HIC 300
NOEUPP  CYS    6  HA  THR    7  HN   2.80      HA  THR    7  QG2  6.00  1HIC 301
NOEUPP  CYS    6  HA  GLU    8  HN   4.70      HA  CYS   14 2HB   3.20  1HIC 302
NOEUPP  CYS    6  HA  CYS   14 3HB   4.40      HA  LEU   30  QQD  7.40  1HIC 303
NOEUPP  CYS    6  HA  LYS   47 2HD   4.90      HA  LYS   47 3HD   3.60  1HIC 304
NOEUPP  CYS    6 2HB  THR    7  HN   5.00     2HB  LEU   30  QQD  6.00  1HIC 305
NOEUPP  CYS    6 3HB  THR    7  HN   3.70     3HB  GLU    8  HN   4.50  1HIC 306
NOEUPP  CYS    6 3HB  GLU    8 2HG   3.90     3HB  LEU   30  QQD  7.30  1HIC 307
NOEUPP  THR    7  HN  THR    7  HA   5.00      HN  THR    7  QG2  4.80  1HIC 308
NOEUPP  THR    7  HN  GLU    8  HN   2.50      HN  GLN   11 2HE2  4.40  1HIC 309
NOEUPP  THR    7  HN  LEU   30  QQD  7.40      HN  LYS   47 2HG   5.00  1HIC 310
NOEUPP  THR    7  HN  LYS   47 2HD   5.00      HN  LYS   47 3HD   5.00  1HIC 311
NOEUPP  THR    7  HA  THR    7  HB   5.00      HA  THR    7  QG2  4.20  1HIC 312
NOEUPP  THR    7  HA  GLU    8  HN   3.90      HA  LEU   30  QQD  6.80  1HIC 313
NOEUPP  THR    7  HB  THR    7  QG2  3.20      HB  LEU   30  QQD  7.40  1HIC 314
NOEUPP  THR    7  QG2 GLU    8  HN   6.00      QG2 GLN   11 2HE2  6.00  1HIC 315
NOEUPP  THR    7  QG2 LYS   47 2HE   6.00      QG2 LYS   47 3HE   4.50  1HIC 316
NOEUPP  THR    7  QG2 LYS   47  QZ   7.00                               1HIC 317
NOEUPP  GLU    8  HN  GLU    8  HA   3.10      HN  GLU    8  QB   4.30  1HIC 318
NOEUPP  GLU    8  HN  GLU    8 2HG   4.40      HN  GLU    8 3HG   5.00  1HIC 319
NOEUPP  GLU    8  HN  GLN   11 3HB   4.70      HN  GLN   11  QG   6.00  1HIC 320
NOEUPP  GLU    8  HN  LEU   30  QQD  7.40      HA  GLU    8  QB   3.90  1HIC 321
NOEUPP  GLU    8  HA  GLU    8 2HG   4.50      HA  GLU    8 3HG   4.50  1HIC 322
NOEUPP  GLU    8  HA  SER    9  HN   2.50      HA  LEU   30  QQD  6.00  1HIC 323
NOEUPP  GLU    8  QB  GLN   11  QG   6.20      QB  GLN   11 1HE2  5.80  1HIC 324
NOEUPP  GLU    8  QB  SER    9  HN   4.30     2HG  GLN   11 2HE2  5.00  1HIC 325
NOEUPP  GLU    8 3HG  GLN   11 2HE2  5.00                               1HIC 326
NOEUPP  SER    9  HN  SER    9  HA   4.50      HN  SER    9 2HB   2.80  1HIC 327
NOEUPP  SER    9  HN  SER    9 3HB   4.10      HN  LEU   30  HN   3.90  1HIC 328
NOEUPP  SER    9  HN  LEU   30  QQD  7.10      HA  SER    9 2HB   3.00  1HIC 329
NOEUPP  SER    9  HA  SER    9 3HB   2.80      HA  GLY   10  HN   3.10  1HIC 330
NOEUPP  SER    9  HA  ILE   29  HA   3.10      HA  ILE   29  QD1  6.00  1HIC 331
NOEUPP  SER    9  HA  LEU   30 3HB   5.00      HA  LEU   30  QQD  7.30  1HIC 332
NOEUPP  SER    9 2HB  GLY   10  HN   4.40     2HB  LEU   30  QQD  7.40  1HIC 333
NOEUPP  SER    9 3HB  GLY   10  HN   3.60     3HB  ILE   29  HA   3.70  1HIC 334
NOEUPP  SER    9 3HB  ILE   29  QD1  5.20                               1HIC 335
NOEUPP  GLY   10  HN  GLY   10 1HA   2.70      HN  GLY   10 2HA   3.30  1HIC 336
NOEUPP  GLY   10  HN  GLN   11  HN   2.80      HN  LYS   27 3HB   5.00  1HIC 337
NOEUPP  GLY   10  HN  CYS   28  HN   4.50      HN  CYS   28 3HB   5.00  1HIC 338
NOEUPP  GLY   10  HN  ILE   29  HN   4.50      HN  ILE   29  HA   3.70  1HIC 339
NOEUPP  GLY   10  HN  ILE   29  QG2  6.00      HN  ILE   29 2HG1  5.00  1HIC 340
NOEUPP  GLY   10  HN  ILE   29  QD1  6.00      HN  LEU   30  QQD  7.40  1HIC 341
NOEUPP  GLY   10 1HA  GLN   11  HN   3.70     1HA  LYS   27 3HB   3.20  1HIC 342
NOEUPP  GLY   10 1HA  ILE   29  QD1  6.00     2HA  GLN   11  HN   3.60  1HIC 343
NOEUPP  GLN   11  HN  GLN   11  HA   3.10      HN  GLN   11 2HB   2.90  1HIC 344
NOEUPP  GLN   11  HN  GLN   11 3HB   3.40      HN  GLN   11  QG   5.30  1HIC 345
NOEUPP  GLN   11  HN  CYS   28  HN   3.90      HN  CYS   28 3HB   5.00  1HIC 346
NOEUPP  GLN   11  HA  GLN   11 2HB   3.10      HA  GLN   11 3HB   3.00  1HIC 347
NOEUPP  GLN   11  HA  GLN   11  QG   4.10      HA  ASN   12  HN   3.00  1HIC 348
NOEUPP  GLN   11  HA  LYS   27 3HG   5.00      HA  GLY   44 2HA   4.20  1HIC 349
NOEUPP  GLN   11  HA  THR   45  HB   4.50      HA  THR   45  QG2  6.00  1HIC 350
NOEUPP  GLN   11  HA  PRO   46  HA   5.00     2HB  GLN   11  QG   4.60  1HIC 351
NOEUPP  GLN   11 2HB  ASN   12  HN   4.20     3HB  GLN   11  QG   4.60  1HIC 352
NOEUPP  GLN   11 3HB  ASN   12  HN   3.20      QG  GLN   11 1HE2  4.60  1HIC 353
NOEUPP  GLN   11  QG  GLN   11 2HE2  6.00      QG  ASN   12  HN   6.00  1HIC 354
NOEUPP  GLN   11  QG  LYS   47  HA   6.00     1HE2 LYS   47  HN   4.80  1HIC 355
NOEUPP  GLN   11 1HE2 LYS   47  HA   5.00     1HE2 PRO   48 2HD   5.00  1HIC 356
NOEUPP  GLN   11 1HE2 PRO   48 3HD   5.00     2HE2 LYS   47  HA   4.20  1HIC 357
NOEUPP  GLN   11 2HE2 LYS   47 2HG   3.90     2HE2 PRO   48 2HD   5.00  1HIC 358
NOEUPP  ASN   12  HN  ASN   12 2HB   4.80      HN  ASN   12 3HB   4.00  1HIC 359
NOEUPP  ASN   12  HN  PRO   46  HA   3.00      HA  ASN   12 2HB   2.70  1HIC 360
NOEUPP  ASN   12  HA  ASN   12 3HB   2.80      HA  LEU   13  HN   3.10  1HIC 361
NOEUPP  ASN   12  HA  CYS   14  HN   4.00      HA  CYS   28  HN   4.10  1HIC 362
NOEUPP  ASN   12 2HB  ASN   12 1HD2  3.40     2HB  LEU   13  HN   2.40  1HIC 363
NOEUPP  ASN   12 2HB  LYS   27  HA   3.80     3HB  ASN   12 1HD2  3.40  1HIC 364
NOEUPP  ASN   12 3HB  LEU   13  HN   3.70     3HB  LYS   27  HA   2.90  1HIC 365
NOEUPP  ASN   12 1HD2 GLN   24  HA   3.90     1HD2 GLN   24  QB   6.00  1HIC 366
NOEUPP  ASN   12 1HD2 GLY   25  HN   4.70     1HD2 ASN   26  HN   4.10  1HIC 367
NOEUPP  ASN   12 1HD2 GLY   44  HN   3.80     1HD2 GLY   44 1HA   5.00  1HIC 368
NOEUPP  ASN   12 2HD2 GLY   25  HN   4.50     2HD2 GLY   44  HN   4.60  1HIC 369
NOEUPP  ASN   12 2HD2 GLY   44 1HA   5.00                               1HIC 370
NOEUPP  LEU   13  HN  LEU   13  HA   2.40      HN  LEU   13 3HB   4.20  1HIC 371
NOEUPP  LEU   13  HN  LEU   13  QD1  4.70      HN  LEU   13  QD2  6.00  1HIC 372
NOEUPP  LEU   13  HN  CYS   14  HN   2.90      HN  CYS   22 2HB   5.00  1HIC 373
NOEUPP  LEU   13  HA  LEU   13 3HB   3.00      HA  LEU   13  QD1  3.60  1HIC 374
NOEUPP  LEU   13  HA  LEU   13  QD2  5.50      HA  CYS   14  HN   2.90  1HIC 375
NOEUPP  LEU   13  HA  VAL   21  QQG  6.40     3HB  LEU   13  QD1  4.60  1HIC 376
NOEUPP  LEU   13 3HB  LEU   13  QD2  3.60      CG  CYS   14  HN   7.20  1HIC 377
NOEUPP  LEU   13  CG  VAL   21  QQG  9.60      CG  GLN   24  HA   7.20  1HIC 378
NOEUPP  LEU   13  CG  PRO   46  HA   6.70      QD1 CYS   14  HN   6.00  1HIC 379
NOEUPP  LEU   13  QD1 GLY   23 1HA   5.40      QD1 GLY   23 2HA   3.90  1HIC 380
NOEUPP  LEU   13  QD1 GLN   24  HN   5.00      QD1 GLN   24  QB   7.00  1HIC 381
NOEUPP  LEU   13  QD1 GLN   24  QG   7.00      QD2 GLN   24  HN   6.00  1HIC 382
NOEUPP  LEU   13  QD2 GLN   24  HA   6.00      QD2 GLN   24  QG   7.00  1HIC 383
NOEUPP  LEU   13  QD2 PRO   46  HA   6.00      QD2 PRO   46 2HB   6.00  1HIC 384
NOEUPP  LEU   13  QD2 PRO   46 3HB   4.50                               1HIC 385
NOEUPP  CYS   14  HN  CYS   14  HA   3.20      HN  CYS   14 2HB   4.30  1HIC 386
NOEUPP  CYS   14  HN  CYS   14 3HB   4.20      HN  VAL   21  HA   4.50  1HIC 387
NOEUPP  CYS   14  HN  VAL   21  QQG  7.40      HN  CYS   22  HN   3.20  1HIC 388
NOEUPP  CYS   14  HN  CYS   22 3HB   5.00      HA  CYS   14 2HB   2.70  1HIC 389
NOEUPP  CYS   14  HA  CYS   14 3HB   2.60      HA  LEU   15  HN   2.70  1HIC 390
NOEUPP  CYS   14  HA  LEU   15  QD2  6.00      HA  VAL   21  QQG  7.40  1HIC 391
NOEUPP  CYS   14 2HB  LEU   15  HN   2.90     2HB  LYS   47 2HB   5.00  1HIC 392
NOEUPP  CYS   14 2HB  LYS   47 3HB   5.00     2HB  LYS   47 2HD   5.00  1HIC 393
NOEUPP  CYS   14 2HB  LYS   47 3HD   4.40     3HB  LEU   15  HN   3.80  1HIC 394
NOEUPP  CYS   14 3HB  LYS   47 2HB   5.00     3HB  LYS   47 3HB   5.00  1HIC 395
NOEUPP  CYS   14 3HB  LYS   47 2HD   5.00     3HB  LYS   47 3HD   3.40  1HIC 396
NOEUPP  LEU   15  HN  LEU   15  HA   3.30      HN  LEU   15 2HB   3.00  1HIC 397
NOEUPP  LEU   15  HN  LEU   15 3HB   3.90      HN  LEU   15  HG   2.80  1HIC 398
NOEUPP  LEU   15  HN  LEU   15  QD1  5.90      HN  LEU   15  QD2  5.90  1HIC 399
NOEUPP  LEU   15  HA  LEU   15 2HB   3.30      HA  LEU   15 3HB   3.30  1HIC 400
NOEUPP  LEU   15  HA  LEU   15  HG   4.10      HA  LEU   15  QD1  6.00  1HIC 401
NOEUPP  LEU   15  HA  LEU   15  QD2  3.40      HA  CYS   16  HN   2.40  1HIC 402
NOEUPP  LEU   15  HA  GLU   17  HN   4.20      HA  VAL   21  HA   2.60  1HIC 403
NOEUPP  LEU   15  HA  VAL   21  QQG  7.40     2HB  LEU   15  HG   3.40  1HIC 404
NOEUPP  LEU   15 2HB  LEU   15  QD1  3.70     2HB  LEU   15  QD2  5.00  1HIC 405
NOEUPP  LEU   15 3HB  LEU   15  QD1  3.70     3HB  LEU   15  QD2  3.90  1HIC 406
NOEUPP  LEU   15 3HB  CYS   16  HN   3.80     3HB  SER   19  HA   3.00  1HIC 407
NOEUPP  LEU   15 3HB  VAL   21  HA   5.00      HG  LEU   15  QD1  2.90  1HIC 408
NOEUPP  LEU   15  HG  LEU   15  QD2  3.40      QD1 SER   19  HA   4.00  1HIC 409
NOEUPP  LEU   15  QD1 SER   19 3HB   6.00      QD1 VAL   21  HA   6.00  1HIC 410
NOEUPP  LEU   15  QD2 CYS   16  HN   6.00      QD2 SER   19  HA   4.60  1HIC 411
NOEUPP  LEU   15  QD2 SER   19 2HB   6.00      QD2 SER   19 3HB   6.00  1HIC 412
NOEUPP  LEU   15  QD2 ASN   20  HN   6.00      QD2 ASN   20  HA   6.00  1HIC 413
NOEUPP  LEU   15  QD2 VAL   21  HN   5.80      QD2 VAL   21  HA   3.80  1HIC 414
NOEUPP  LEU   15  QD2 VAL   21  HB   6.00      QD2 VAL   21  QQG  6.20  1HIC 415
NOEUPP  LEU   15  QD2 CYS   22  HN   6.00                               1HIC 416
NOEUPP  CYS   16  HN  CYS   16  HA   3.60      HN  CYS   16 2HB   3.20  1HIC 417
NOEUPP  CYS   16  HN  CYS   16 3HB   3.00      HN  GLU   17  HN   3.00  1HIC 418
NOEUPP  CYS   16  HN  VAL   21  HA   3.60      HN  VAL   21  QQG  7.40  1HIC 419
NOEUPP  CYS   16  HN  CYS   22  HN   4.50      HN  CYS   22 2HB   5.00  1HIC 420
NOEUPP  CYS   16  HA  CYS   16 2HB   2.90      HA  CYS   16 3HB   3.30  1HIC 421
NOEUPP  CYS   16  HA  GLU   17  HN   5.00      HA  LEU   30  QQD  7.40  1HIC 422
NOEUPP  CYS   16  HA  ASN   37 1HD2  4.00     2HB  GLU   17  HN   3.60  1HIC 423
NOEUPP  CYS   16 2HB  CYS   22 2HB   3.00     3HB  GLU   17  HN   2.60  1HIC 424
NOEUPP  CYS   16 3HB  CYS   22 2HB   3.00                               1HIC 425
NOEUPP  GLU   17  HN  GLU   17  HA   3.50      HN  GLU   17  QB   3.50  1HIC 426
NOEUPP  GLU   17  HN  GLU   17 2HG   5.00      HN  GLU   17 3HG   5.00  1HIC 427
NOEUPP  GLU   17  HN  ASN   20 2HB   4.30      HN  CYS   22 2HB   5.00  1HIC 428
NOEUPP  GLU   17  HN  ASN   37  QB   6.00      HA  GLU   17  QB   4.20  1HIC 429
NOEUPP  GLU   17  HA  GLU   17 2HG   4.10      HA  GLU   17 3HG   3.50  1HIC 430
NOEUPP  GLU   17  HA  GLY   18  HN   2.50      HA  ASN   37  QB   5.70  1HIC 431
NOEUPP  GLU   17  QB  GLU   17 3HG   3.60      QB  ASN   20 2HB   6.00  1HIC 432
NOEUPP  GLU   17  QB  ASN   20 1HD2  6.00      QB  CYS   39  HN   6.00  1HIC 433
NOEUPP  GLU   17  QB  CYS   39 2HB   6.00     2HG  CYS   39  HN   4.90  1HIC 434
NOEUPP  GLU   17 3HG  GLY   18  HN   5.00     3HG  CYS   39  HN   4.60  1HIC 435
NOEUPP  GLY   18  HN  GLY   18 1HA   2.50      HN  GLY   18 2HA   3.00  1HIC 436
NOEUPP  GLY   18  HN  ASN   37  QB   6.00     1HA  SER   19  HN   3.20  1HIC 437
NOEUPP  SER   19  HN  SER   19  HA   2.90      HN  SER   19 2HB   3.30  1HIC 438
NOEUPP  SER   19  HN  SER   19 3HB   3.30      HN  ASN   20  HN   3.10  1HIC 439
NOEUPP  SER   19  HA  SER   19 2HB   3.40      HA  SER   19 3HB   3.40  1HIC 440
NOEUPP  SER   19  HA  ASN   20  HN   3.60     2HB  ASN   20  HN   5.00  1HIC 441
NOEUPP  SER   19 3HB  ASN   20  HN   3.80                               1HIC 442
NOEUPP  ASN   20  HN  ASN   20  HA   3.70      HN  ASN   20 2HB   2.80  1HIC 443
NOEUPP  ASN   20  HN  ASN   20 3HB   3.60      HN  ASN   20 1HD2  4.60  1HIC 444
NOEUPP  ASN   20  HA  ASN   20 2HB   3.20      HA  ASN   20 3HB   2.80  1HIC 445
NOEUPP  ASN   20  HA  ASN   20 1HD2  5.00      HA  VAL   21  HN   2.60  1HIC 446
NOEUPP  ASN   20  HA  VAL   21  QQG  7.40     2HB  ASN   20 1HD2  3.50  1HIC 447
NOEUPP  ASN   20 2HB  ASN   20 2HD2  5.00     2HB  VAL   21  HN   4.10  1HIC 448
NOEUPP  ASN   20 3HB  ASN   20 1HD2  5.00     3HB  ASN   20 2HD2  5.00  1HIC 449
NOEUPP  ASN   20 3HB  VAL   21  HN   3.50                               1HIC 450
NOEUPP  VAL   21  HN  VAL   21  HA   3.20      HN  VAL   21  HB   2.60  1HIC 451
NOEUPP  VAL   21  HN  VAL   21  QQG  5.90      HA  VAL   21  HB   3.00  1HIC 452
NOEUPP  VAL   21  HA  VAL   21  QQG  4.70      HA  CYS   22  HN   2.40  1HIC 453
NOEUPP  VAL   21  HA  CYS   22  HA   4.50      HB  VAL   21  QQG  5.00  1HIC 454
NOEUPP  VAL   21  QQG CYS   22  HN   6.20      QQG CYS   22  HA   7.40  1HIC 455
NOEUPP  VAL   21  QQG CYS   22 3HB   7.40      QQG GLY   23  HN   7.30  1HIC 456
NOEUPP  VAL   21  QQG GLY   23 1HA   7.40      QQG GLY   23 2HA   7.30  1HIC 457
NOEUPP  CYS   22  HN  CYS   22  HA   3.40      HN  CYS   22 2HB   3.20  1HIC 458
NOEUPP  CYS   22  HN  CYS   22 3HB   3.00      HN  GLY   23  HN   4.20  1HIC 459
NOEUPP  CYS   22  HA  CYS   22 2HB   3.00      HA  CYS   22 3HB   3.30  1HIC 460
NOEUPP  CYS   22  HA  GLY   23  HN   2.40      HA  GLY   23 1HA   4.30  1HIC 461
NOEUPP  CYS   22 2HB  CYS   39 2HB   3.30                               1HIC 462
NOEUPP  GLY   23  HN  GLY   23 1HA   2.50      HN  GLY   23 2HA   2.80  1HIC 463
NOEUPP  GLY   23  HN  GLN   24  HN   5.00      HN  ASN   26 2HB   4.20  1HIC 464
NOEUPP  GLY   23  HN  ASN   26 1HD2  4.60     1HA  GLN   24  HN   2.50  1HIC 465
NOEUPP  GLN   24  HN  GLN   24  HA   2.70      HN  GLN   24  QB   3.40  1HIC 466
NOEUPP  GLN   24  HN  GLN   24  QG   6.00      HA  GLN   24  QB   4.00  1HIC 467
NOEUPP  GLN   24  HA  GLN   24  QG   5.20      HA  GLY   25  HN   2.50  1HIC 468
NOEUPP  GLN   24  HA  ASN   26  HN   3.50      QB  GLN   24  QG   5.90  1HIC 469
NOEUPP  GLN   24  QB  GLY   25  HN   4.60      QG  GLN   24 1HE2  6.00  1HIC 470
NOEUPP  GLN   24  QG  GLN   24 2HE2  6.00      QG  GLY   25  HN   6.00  1HIC 471
NOEUPP  GLY   25  HN  GLY   25 1HA   2.80      HN  GLY   25 2HA   3.20  1HIC 472
NOEUPP  GLY   25  HN  ASN   26  HN   2.90      HN  GLU   43  HA   4.00  1HIC 473
NOEUPP  GLY   25 1HA  ASN   26  HN   3.80     2HA  ASN   26  HN   3.80  1HIC 474
NOEUPP  ASN   26  HN  ASN   26  HA   3.30      HN  ASN   26 2HB   3.40  1HIC 475
NOEUPP  ASN   26  HN  ASN   26 3HB   4.20      HN  GLU   43  HA   4.60  1HIC 476
NOEUPP  ASN   26  HA  ASN   26 2HB   3.10      HA  ASN   26 3HB   2.90  1HIC 477
NOEUPP  ASN   26  HA  LYS   27  HN   2.70      HA  VAL   40  QG2  6.00  1HIC 478
NOEUPP  ASN   26  HA  THR   41  HN   4.70      HA  THR   41  HA   2.70  1HIC 479
NOEUPP  ASN   26  HA  THR   41  QG2  6.00      HA  GLY   42  HN   3.00  1HIC 480
NOEUPP  ASN   26  HA  GLU   43  HA   4.40     2HB  ASN   26 2HD2  5.00  1HIC 481
NOEUPP  ASN   26 2HB  LYS   27  HN   3.70     3HB  ASN   26 2HD2  5.00  1HIC 482
NOEUPP  ASN   26 3HB  LYS   27  HN   3.00     3HB  VAL   40  HN   5.00  1HIC 483
NOEUPP  ASN   26 2HD2 THR   41  QG2  6.00                               1HIC 484
NOEUPP  LYS   27  HN  LYS   27  HA   3.30      HN  LYS   27 2HB   3.30  1HIC 485
NOEUPP  LYS   27  HN  LYS   27 3HB   3.80      HN  LYS   27 2HG   5.00  1HIC 486
NOEUPP  LYS   27  HN  LYS   27 3HG   5.00      HN  CYS   39  HA   5.00  1HIC 487
NOEUPP  LYS   27  HN  VAL   40  QG1  6.00      HN  VAL   40  QG2  5.20  1HIC 488
NOEUPP  LYS   27  HN  GLY   42  HN   5.00      HA  LYS   27 2HG   5.00  1HIC 489
NOEUPP  LYS   27  HA  CYS   28  HN   2.60      HA  CYS   28  HA   4.70  1HIC 490
NOEUPP  LYS   27  HA  GLY   44 1HA   3.80     2HB  LYS   27 2HG   2.40  1HIC 491
NOEUPP  LYS   27 2HB  CYS   28  HN   5.00     3HB  CYS   28  HN   3.40  1HIC 492
NOEUPP  LYS   27 3HB  GLY   44 1HA   4.20     3HB  GLY   44 2HA   3.60  1HIC 493
NOEUPP  LYS   27 2HG  LYS   27 3HD   3.10     2HG  LYS   27 3HE   4.70  1HIC 494
NOEUPP  LYS   27 2HG  ILE   29  QD1  6.00     2HG  VAL   40  HN   5.00  1HIC 495
NOEUPP  LYS   27 3HG  LYS   27 2HE   5.00     3HG  LYS   27 3HE   5.00  1HIC 496
NOEUPP  LYS   27 3HG  GLY   44 1HA   3.70     2HD  LYS   27 2HE   5.00  1HIC 497
NOEUPP  LYS   27 2HD  LYS   27 3HE   3.80     2HD  LYS   27  QZ   6.00  1HIC 498
NOEUPP  LYS   27 2HD  GLU   43  HN   5.00     3HD  LYS   27 3HE   3.90  1HIC 499
NOEUPP  LYS   27 3HD  LYS   27  QZ   6.00     2HE  LYS   27  QZ   5.70  1HIC 500
NOEUPP  LYS   27 2HE  ILE   29  QD1  5.10     2HE  VAL   40  QG2  4.40  1HIC 501
NOEUPP  LYS   27 2HE  GLY   42 2HA   5.00     3HE  LYS   27  QZ   5.30  1HIC 502
NOEUPP  LYS   27 3HE  ILE   29  QD1  6.00     3HE  VAL   40  QG2  4.50  1HIC 503
NOEUPP  LYS   27 3HE  GLY   42 2HA   4.10      QZ  ILE   29  QD1  7.00  1HIC 504
NOEUPP  CYS   28  HN  CYS   28  HA   3.30      HN  CYS   28 2HB   3.00  1HIC 505
NOEUPP  CYS   28  HN  CYS   28 3HB   3.10      HN  ILE   29  HN   5.00  1HIC 506
NOEUPP  CYS   28  HN  VAL   40  HN   5.00      HA  CYS   28 2HB   2.60  1HIC 507
NOEUPP  CYS   28  HA  CYS   28 3HB   3.30      HA  ILE   29  HN   2.40  1HIC 508
NOEUPP  CYS   28  HA  ILE   29  HA   4.80      HA  CYS   39  HA   2.40  1HIC 509
NOEUPP  CYS   28  HA  VAL   40  QG1  6.00      HA  VAL   40  QG2  6.00  1HIC 510
NOEUPP  CYS   28 2HB  ILE   29  HN   5.00     2HB  LEU   30  QQD  7.40  1HIC 511
NOEUPP  CYS   28 3HB  ILE   29  HN   5.00     3HB  LEU   30  QQD  7.40  1HIC 512
NOEUPP  ILE   29  HN  ILE   29  HA   3.30      HN  ILE   29  HB   2.70  1HIC 513
NOEUPP  ILE   29  HN  ILE   29  QG2  6.00      HN  ILE   29 2HG1  3.70  1HIC 514
NOEUPP  ILE   29  HN  ILE   29 3HG1  4.20      HN  ILE   29  QD1  6.00  1HIC 515
NOEUPP  ILE   29  HN  GLN   38  HN   3.20      HN  GLN   38 2HB   5.00  1HIC 516
NOEUPP  ILE   29  HN  GLN   38 3HB   5.00      HN  CYS   39  HN   5.00  1HIC 517
NOEUPP  ILE   29  HN  CYS   39  HA   3.40      HN  VAL   40  HN   4.70  1HIC 518
NOEUPP  ILE   29  HN  VAL   40  QG1  6.00      HA  ILE   29  HB   3.10  1HIC 519
NOEUPP  ILE   29  HA  ILE   29  QG2  3.60      HA  ILE   29 3HG1  3.20  1HIC 520
NOEUPP  ILE   29  HA  ILE   29  QD1  4.10      HA  LEU   30  HN   2.60  1HIC 521
NOEUPP  ILE   29  HA  LEU   30  QQD  7.40      HB  ILE   29  QG2  3.40  1HIC 522
NOEUPP  ILE   29  HB  ILE   29 2HG1  3.00      HB  ILE   29 3HG1  2.90  1HIC 523
NOEUPP  ILE   29  HB  ILE   29  QD1  5.00      HB  GLN   38  HN   4.80  1HIC 524
NOEUPP  ILE   29  QG2 ILE   29 2HG1  4.00      QG2 ILE   29 3HG1  3.60  1HIC 525
NOEUPP  ILE   29  QG2 LEU   30  HN   4.60     2HG1 ILE   29  QD1  3.70  1HIC 526
NOEUPP  ILE   29 3HG1 ILE   29  QD1  3.80      QD1 LEU   30  HN   6.00  1HIC 527
NOEUPP  LEU   30  HN  LEU   30  HA   3.20      HN  LEU   30 3HB   2.70  1HIC 528
NOEUPP  LEU   30  HN  LEU   30  QQD  8.40      HA  LEU   30 3HB   3.10  1HIC 529
NOEUPP  LEU   30  HA  LEU   30  QQD  5.70      HA  GLY   31  HN   2.40  1HIC 530
NOEUPP  LEU   30  HA  ASN   37  HA   3.50      HA  ASN   37  QB   5.60  1HIC 531
NOEUPP  LEU   30  HA  ASN   37 2HD2  5.00     3HB  LEU   30  QQD  5.70  1HIC 532
NOEUPP  LEU   30  CG  GLY   31  HN   5.90      CG  ASN   37 2HD2  7.20  1HIC 533
NOEUPP  LEU   30  QQD GLY   31  HN   7.40      QQD ASN   37  HA   7.40  1HIC 534
NOEUPP  LEU   30  QQD ASN   37 1HD2  7.40      QQD ASN   37 2HD2  6.80  1HIC 535
NOEUPP  GLY   31  HN  GLY   31 1HA   2.50      HN  GLY   31 2HA   3.20  1HIC 536
NOEUPP  GLY   31  HN  ASN   37  HA   3.10     1HA  SER   32  HN   3.00  1HIC 537
NOEUPP  GLY   31 1HA  GLU   35 2HB   5.00     1HA  GLU   35 3HB   4.80  1HIC 538
NOEUPP  GLY   31 2HA  SER   32  HN   2.70                               1HIC 539
NOEUPP  SER   32  HN  SER   32  HA   3.40      HN  SER   32  QB   4.10  1HIC 540
NOEUPP  SER   32  HN  ASP   33  HN   3.50      HN  GLU   35  HN   5.00  1HIC 541
NOEUPP  SER   32  HN  GLU   35 2HB   3.30      HN  GLU   35 3HB   3.90  1HIC 542
NOEUPP  SER   32  HA  SER   32  QB   4.30      HA  ASP   33  HN   2.70  1HIC 543
NOEUPP  SER   32  QB  ASP   33  HN   4.60                               1HIC 544
NOEUPP  ASP   33  HN  ASP   33  HA   2.70      HN  ASP   33  QB   5.50  1HIC 545
NOEUPP  ASP   33  HN  GLY   34  HN   3.10      HA  ASP   33  QB   3.90  1HIC 546
NOEUPP  ASP   33  HA  GLY   34  HN   3.10      QB  GLY   34  HN   5.30  1HIC 547
NOEUPP  GLY   34  HN  GLY   34 1HA   2.70      HN  GLY   34 2HA   2.80  1HIC 548
NOEUPP  GLY   34  HN  GLU   35  HN   3.30     2HA  GLU   35  HN   3.80  1HIC 549
NOEUPP  GLU   35  HN  GLU   35  HA   3.20      HN  GLU   35 2HB   2.90  1HIC 550
NOEUPP  GLU   35  HN  GLU   35 3HB   3.50      HN  GLU   35 2HG   4.90  1HIC 551
NOEUPP  GLU   35  HN  GLU   35 3HG   4.80      HN  LYS   36  HN   5.00  1HIC 552
NOEUPP  GLU   35  HA  GLU   35 2HB   3.20      HA  GLU   35 3HB   2.90  1HIC 553
NOEUPP  GLU   35  HA  GLU   35 2HG   3.70      HA  GLU   35 3HG   5.00  1HIC 554
NOEUPP  GLU   35  HA  LYS   36  HN   2.50     2HB  GLU   35 3HG   3.20  1HIC 555
NOEUPP  GLU   35 2HB  LYS   36  HN   3.90     3HB  GLU   35 2HG   2.50  1HIC 556
NOEUPP  GLU   35 3HB  LYS   36  HN   3.10     3HG  GLN   38 3HG   5.00  1HIC 557
NOEUPP  LYS   36  HN  LYS   36  HA   3.00      HN  LYS   36 2HB   3.60  1HIC 558
NOEUPP  LYS   36  HN  LYS   36 3HB   3.60      HN  LYS   36  QG   4.80  1HIC 559
NOEUPP  LYS   36  HA  LYS   36 2HB   3.00      HA  LYS   36 3HB   2.60  1HIC 560
NOEUPP  LYS   36  HA  LYS   36  QG   4.90      HA  LYS   36  QD   6.00  1HIC 561
NOEUPP  LYS   36  HA  ASN   37  HN   2.50     2HB  ASN   37  HN   3.50  1HIC 562
NOEUPP  LYS   36 3HB  LYS   36  QG   4.50     3HB  ASN   37  HN   3.20  1HIC 563
NOEUPP  LYS   36  QG  LYS   36  QE   7.00      QG  ASN   37  HN   6.00  1HIC 564
NOEUPP  LYS   36  QD  LYS   36  QE   6.50                               1HIC 565
NOEUPP  ASN   37  HN  ASN   37  HA   4.00      HN  ASN   37  QB   3.70  1HIC 566
NOEUPP  ASN   37  HA  ASN   37  QB   3.50      HA  GLN   38  HN   2.80  1HIC 567
NOEUPP  ASN   37  QB  ASN   37 1HD2  4.10      QB  ASN   37 2HD2  5.30  1HIC 568
NOEUPP  ASN   37  QB  GLN   38  HN   4.40                               1HIC 569
NOEUPP  GLN   38  HN  GLN   38  HA   3.20      HN  GLN   38 2HB   4.50  1HIC 570
NOEUPP  GLN   38  HN  GLN   38 3HB   4.50      HN  GLN   38 2HG   5.00  1HIC 571
NOEUPP  GLN   38  HN  GLN   38 3HG   5.00      HA  GLN   38 2HB   5.00  1HIC 572
NOEUPP  GLN   38  HA  GLN   38 3HB   5.00      HA  GLN   38 2HG   3.90  1HIC 573
NOEUPP  GLN   38  HA  GLN   38 3HG   4.30      HA  CYS   39  HN   2.50  1HIC 574
NOEUPP  GLN   38  HA  VAL   40  QG1  6.00     2HB  CYS   39  HN   4.40  1HIC 575
NOEUPP  GLN   38 2HB  VAL   40  QG1  4.10     3HB  GLN   38 3HG   5.00  1HIC 576
NOEUPP  GLN   38 3HB  CYS   39  HN   4.70     3HB  VAL   40  QG1  4.90  1HIC 577
NOEUPP  GLN   38 2HG  GLN   38 1HE2  5.00     2HG  GLN   38 2HE2  5.00  1HIC 578
NOEUPP  GLN   38 2HG  CYS   39  HN   5.00     3HG  GLN   38 1HE2  5.00  1HIC 579
NOEUPP  GLN   38 3HG  GLN   38 2HE2  4.70                               1HIC 580
NOEUPP  CYS   39  HN  CYS   39  HA   3.40      HN  CYS   39 2HB   3.10  1HIC 581
NOEUPP  CYS   39  HN  CYS   39 3HB   2.80      HN  VAL   40  HN   5.00  1HIC 582
NOEUPP  CYS   39  HN  VAL   40  QG1  6.00      HA  CYS   39 2HB   2.80  1HIC 583
NOEUPP  CYS   39  HA  CYS   39 3HB   3.30      HA  VAL   40  HN   2.40  1HIC 584
NOEUPP  CYS   39  HA  VAL   40  QG1  6.00      HA  VAL   40  QG2  6.00  1HIC 585
NOEUPP  VAL   40  HN  VAL   40  HA   3.20      HN  VAL   40  HB   4.10  1HIC 586
NOEUPP  VAL   40  HN  VAL   40  QG1  6.00      HN  VAL   40  QG2  3.60  1HIC 587
NOEUPP  VAL   40  HA  VAL   40  HB   2.50      HA  VAL   40  QG1  3.70  1HIC 588
NOEUPP  VAL   40  HA  VAL   40  QG2  4.50      HA  THR   41  HN   2.70  1HIC 589
NOEUPP  VAL   40  HA  THR   41  QG2  6.00      HB  VAL   40  QG1  3.50  1HIC 590
NOEUPP  VAL   40  HB  VAL   40  QG2  3.40      HB  THR   41  HN   2.70  1HIC 591
NOEUPP  VAL   40  QG1 THR   41  HN   6.00      QG2 THR   41  HN   6.00  1HIC 592
NOEUPP  THR   41  HN  THR   41  HA   3.20      HN  THR   41  HB   2.90  1HIC 593
NOEUPP  THR   41  HN  THR   41  QG2  5.00      HA  THR   41  HB   3.30  1HIC 594
NOEUPP  THR   41  HA  THR   41  QG2  5.70      HA  GLY   42  HN   2.80  1HIC 595
NOEUPP  THR   41  HB  THR   41  QG2  3.70      HB  GLY   42  HN   4.10  1HIC 596
NOEUPP  THR   41  QG2 GLY   42  HN   5.90      QG2 GLY   42 1HA   6.00  1HIC 597
NOEUPP  GLY   42  HN  GLY   42 1HA   3.20      HN  GLY   42 2HA   3.10  1HIC 598
NOEUPP  GLY   42 1HA  GLU   43  HN   2.90                               1HIC 599
NOEUPP  GLU   43  HN  GLU   43  HA   2.80      HN  GLU   43  QB   3.40  1HIC 600
NOEUPP  GLU   43  HN  GLU   43 2HG   5.00      HN  GLU   43 3HG   4.90  1HIC 601
NOEUPP  GLU   43  HN  GLY   44  HN   5.00      HA  GLU   43  QB   4.00  1HIC 602
NOEUPP  GLU   43  HA  GLU   43 2HG   4.50      HA  GLU   43 3HG   4.20  1HIC 603
NOEUPP  GLU   43  HA  GLY   44  HN   2.40      QB  GLY   44  HN   5.60  1HIC 604
NOEUPP  GLY   44  HN  GLY   44 1HA   2.90      HN  GLY   44 2HA   3.20  1HIC 605
NOEUPP  GLY   44 1HA  THR   45  HN   3.00     2HA  THR   45  HN   2.70  1HIC 606
NOEUPP  THR   45  HN  THR   45  HA   3.40      HN  THR   45  HB   3.20  1HIC 607
NOEUPP  THR   45  HN  THR   45  QG2  5.30      HA  THR   45  QG2  4.20  1HIC 608
NOEUPP  THR   45  HA  PRO   46  QG   6.00      HA  PRO   46 2HD   2.80  1HIC 609
NOEUPP  THR   45  HB  THR   45  QG2  3.50      QG2 PRO   46 2HD   4.70  1HIC 610
NOEUPP  PRO   46  HA  PRO   46 2HB   3.00      HA  PRO   46 3HB   2.60  1HIC 611
NOEUPP  PRO   46  HA  PRO   46  QG   4.30      HA  PRO   46 2HD   3.20  1HIC 612
NOEUPP  PRO   46  HA  PRO   46 3HD   5.00      HA  LYS   47  HN   2.50  1HIC 613
NOEUPP  PRO   46 2HB  PRO   46 2HD   4.20     2HB  PRO   46 3HD   5.00  1HIC 614
NOEUPP  PRO   46 2HB  LYS   47  HN   3.80     3HB  PRO   46 2HD   4.90  1HIC 615
NOEUPP  PRO   46 3HB  PRO   46 3HD   4.50     3HB  LYS   47  HN   3.90  1HIC 616
NOEUPP  PRO   46  QG  PRO   46 2HD   4.40      QG  PRO   46 3HD   4.50  1HIC 617
NOEUPP  LYS   47  HN  LYS   47  HA   3.30      HN  LYS   47 2HB   5.00  1HIC 618
NOEUPP  LYS   47  HN  LYS   47 3HB   3.10      HA  LYS   47 2HB   3.60  1HIC 619
NOEUPP  LYS   47  HA  LYS   47 3HB   3.20      HA  LYS   47 2HG   3.00  1HIC 620
NOEUPP  LYS   47  HA  LYS   47 3HG   4.00      HA  LYS   47 2HD   5.00  1HIC 621
NOEUPP  LYS   47  HA  LYS   47 3HD   3.80      HA  PRO   48 2HD   3.00  1HIC 622
NOEUPP  LYS   47  HA  PRO   48 3HD   2.60     2HB  LYS   47 3HE   5.00  1HIC 623
NOEUPP  LYS   47 2HB  PRO   48 2HD   5.00     3HB  LYS   47 3HE   4.40  1HIC 624
NOEUPP  LYS   47 2HG  LYS   47 2HE   4.60     2HG  LYS   47 3HE   3.40  1HIC 625
NOEUPP  LYS   47 2HG  PRO   48 2HD   3.30     3HG  LYS   47 2HE   3.70  1HIC 626
NOEUPP  LYS   47 3HG  LYS   47 3HE   4.20     3HG  PRO   48 2HD   4.40  1HIC 627
NOEUPP  LYS   47 3HG  PRO   48 3HD   5.00     2HD  LYS   47 3HE   4.00  1HIC 628
NOEUPP  LYS   47 2HD  LYS   47  QZ   6.00     3HD  LYS   47 3HE   3.40  1HIC 629
NOEUPP  LYS   47 2HE  LYS   47  QZ   6.00     3HE  LYS   47  QZ   6.00  1HIC 630
NOEUPP  PRO   48  HA  PRO   48 2HB   3.20      HA  PRO   48 3HB   2.70  1HIC 631
NOEUPP  PRO   48  HA  PRO   48 3HG   4.50      HA  PRO   48 2HD   5.00  1HIC 632
NOEUPP  PRO   48  HA  PRO   48 3HD   4.20      HA  GLN   49  HN   2.50  1HIC 633
NOEUPP  PRO   48 2HB  PRO   48 2HD   3.70     2HB  PRO   48 3HD   5.00  1HIC 634
NOEUPP  PRO   48 2HB  GLN   49  HN   3.90     3HB  PRO   48 3HD   4.50  1HIC 635
NOEUPP  PRO   48 2HG  PRO   48 2HD   4.00     2HG  PRO   48 3HD   3.30  1HIC 636
NOEUPP  PRO   48 3HG  PRO   48 2HD   3.50     3HG  PRO   48 3HD   3.60  1HIC 637
NOEUPP  GLN   49  HN  GLN   49  HA   3.10      HN  GLN   49 2HB   3.10  1HIC 638
NOEUPP  GLN   49  HN  GLN   49 3HB   3.40      HN  GLN   49 2HG   4.50  1HIC 639
NOEUPP  GLN   49  HN  GLN   49 3HG   4.20      HA  GLN   49 3HB   3.20  1HIC 640
NOEUPP  GLN   49  HA  GLN   49 3HG   4.30      HA  SER   50  HN   2.90  1HIC 641
NOEUPP  GLN   49 2HB  GLN   49 3HG   3.30     2HB  SER   50  HN   5.00  1HIC 642
NOEUPP  GLN   49 3HB  GLN   49 3HG   3.00     3HB  SER   50  HN   3.70  1HIC 643
NOEUPP  GLN   49 3HG  GLN   49 1HE2  5.00     3HG  GLN   49 2HE2  5.00  1HIC 644
NOEUPP  SER   50  HN  SER   50  HA   3.60      HN  SER   50  QB   4.40  1HIC 645
NOEUPP  SER   50  HA  SER   50  QB   4.50      QB  HIS   51  HN   6.00  1HIC 646
NOEUPP  HIS   51  HN  HIS   51  HA   3.10      HN  HIS   51 2HB   4.70  1HIC 647
NOEUPP  HIS   51  HN  HIS   51 3HB   5.00      HA  HIS   51 2HB   3.90  1HIC 648
NOEUPP  HIS   51  HA  HIS   51 3HB   3.80     2HB  HIS   51  HD1  5.00  1HIC 649
NOEUPP  HIS   51 3HB  HIS   51  HD1  5.00                               1HIC 650
SSUPP   CYS    6  SG  CYS   14  SG   2.10      SG  CYS   14  CB   3.10  1HIC 651
SSUPP   CYS    6  CB  CYS   14  SG   3.10                               1HIC 652
SSUPP   CYS   16  SG  CYS   28  SG   2.10      SG  CYS   28  CB   3.10  1HIC 653
SSUPP   CYS   16  CB  CYS   28  SG   3.10                               1HIC 654
SSUPP   CYS   22  SG  CYS   39  SG   2.10      SG  CYS   39  CB   3.10  1HIC 655
SSUPP   CYS   22  CB  CYS   39  SG   3.10                               1HIC 656
SSLOW   CYS    6  SG  CYS   14  SG   2.00      SG  CYS   14  CB   3.00  1HIC 657
SSLOW   CYS    6  CB  CYS   14  SG   3.00                               1HIC 658
SSLOW   CYS   16  SG  CYS   28  SG   2.00      SG  CYS   28  CB   3.00  1HIC 659
SSLOW   CYS   16  CB  CYS   28  SG   3.00                               1HIC 660
SSLOW   CYS   22  SG  CYS   39  SG   2.00      SG  CYS   39  CB   3.00  1HIC 661
SSLOW   CYS   22  CB  CYS   39  SG   3.00                               1HIC 662
ANGLE   VAL    2 PHI   -155.00  -75.00        PSI     65.00  165.00     1HIC 663
ANGLE   VAL    2 CHI1   135.00  215.00                                  1HIC 664
ANGLE   TYR    3 PHI   -165.00  -75.00        PSI    115.00  185.00     1HIC 665
ANGLE   TYR    3 CHI1   155.00  325.00                                  1HIC 666
ANGLE   THR    4 PHI     45.00  305.00        PSI    155.00  185.00     1HIC 667
ANGLE   THR    4 CHI1    35.00   65.00                                  1HIC 668
ANGLE   ASP    5 PHI    -85.00  -45.00        PSI     75.00  185.00     1HIC 669
ANGLE   ASP    5 CHI1  -105.00  -75.00                                  1HIC 670
ANGLE   CYS    6 PHI   -155.00  -85.00        PSI    105.00  195.00     1HIC 671
ANGLE   CYS    6 CHI1  -105.00  -75.00                                  1HIC 672
ANGLE   THR    7 PHI   -155.00  -85.00        PSI    -75.00   45.00     1HIC 673
ANGLE   THR    7 CHI1     5.00  235.00                                  1HIC 674
ANGLE   GLU    8 PHI     45.00  285.00        PSI     55.00  175.00     1HIC 675
ANGLE   SER    9 PHI   -165.00  -35.00        PSI    125.00  195.00     1HIC 676
ANGLE   SER    9 CHI1  -115.00  -85.00                                  1HIC 677
ANGLE   GLN   11 PHI   -165.00   45.00        PSI    135.00  215.00     1HIC 678
ANGLE   GLN   11 CHI1    25.00  345.00                                  1HIC 679
ANGLE   ASN   12 PHI     35.00  295.00        PSI    165.00  225.00     1HIC 680
ANGLE   ASN   12 CHI1    35.00   75.00                                  1HIC 681
ANGLE   LEU   13 PHI     35.00   95.00        PSI     25.00   85.00     1HIC 682
ANGLE   LEU   13 CHI1  -265.00   25.00                                  1HIC 683
ANGLE   CYS   14 PHI     45.00  295.00        PSI    145.00  185.00     1HIC 684
ANGLE   CYS   14 CHI1    35.00   65.00                                  1HIC 685
ANGLE   LEU   15 PHI   -175.00  -55.00        PSI    105.00  165.00     1HIC 686
ANGLE   LEU   15 CHI1   165.00  315.00                                  1HIC 687
ANGLE   CYS   16 PHI   -145.00  -85.00        PSI    -95.00  -65.00     1HIC 688
ANGLE   CYS   16 CHI1   155.00  185.00                                  1HIC 689
ANGLE   GLU   17 PHI     35.00  295.00        PSI     55.00  175.00     1HIC 690
ANGLE   SER   19 PHI   -165.00  -75.00        PSI   -105.00   15.00     1HIC 691
ANGLE   SER   19 CHI1    -5.00  265.00                                  1HIC 692
ANGLE   ASN   20 PHI   -165.00  -65.00        PSI    115.00  185.00     1HIC 693
ANGLE   ASN   20 CHI1   145.00  335.00                                  1HIC 694
ANGLE   VAL   21 PHI    -85.00  -45.00        PSI     75.00  165.00     1HIC 695
ANGLE   VAL   21 CHI1    45.00  205.00                                  1HIC 696
ANGLE   CYS   22 PHI   -155.00  -75.00        PSI     65.00  145.00     1HIC 697
ANGLE   CYS   22 CHI1   165.00  225.00                                  1HIC 698
ANGLE   GLN   24 PHI     85.00  325.00        PSI     55.00  175.00     1HIC 699
ANGLE   ASN   26 PHI   -155.00  -85.00        PSI    145.00  185.00     1HIC 700
ANGLE   ASN   26 CHI1   -45.00  -35.00                                  1HIC 701
ANGLE   LYS   27 PHI     45.00  295.00        PSI    125.00  185.00     1HIC 702
ANGLE   LYS   27 CHI1     5.00  355.00                                  1HIC 703
ANGLE   CYS   28 PHI   -105.00  -65.00        PSI     75.00  165.00     1HIC 704
ANGLE   CYS   28 CHI1   155.00  185.00                                  1HIC 705
ANGLE   ILE   29 PHI   -155.00  -75.00        PSI     55.00  185.00     1HIC 706
ANGLE   ILE   29 CHI1  -105.00  -35.00                                  1HIC 707
ANGLE   LEU   30 PHI   -155.00  -55.00        PSI     65.00  165.00     1HIC 708
ANGLE   LEU   30 CHI1   165.00  315.00                                  1HIC 709
ANGLE   SER   32 PHI     35.00  275.00        PSI     45.00  115.00     1HIC 710
ANGLE   ASP   33 PHI     35.00  195.00        PSI     15.00   95.00     1HIC 711
ANGLE   GLU   35 PHI   -165.00  -65.00        PSI    135.00  175.00     1HIC 712
ANGLE   GLU   35 CHI1  -115.00  135.00                                  1HIC 713
ANGLE   LYS   36 PHI    -95.00  -55.00        PSI    145.00  175.00     1HIC 714
ANGLE   LYS   36 CHI1   -65.00   -5.00                                  1HIC 715
ANGLE   ASN   37 PHI     35.00  315.00        PSI     35.00  195.00     1HIC 716
ANGLE   GLN   38 PHI     45.00  285.00        PSI     55.00  175.00     1HIC 717
ANGLE   GLN   38 CHI1   -45.00  165.00                                  1HIC 718
ANGLE   CYS   39 PHI   -135.00  -75.00        PSI     65.00  165.00     1HIC 719
ANGLE   CYS   39 CHI1   155.00  185.00                                  1HIC 720
ANGLE   VAL   40 PHI   -155.00  -85.00        PSI    145.00  185.00     1HIC 721
ANGLE   VAL   40 CHI1   -75.00   -5.00                                  1HIC 722
ANGLE   THR   41 PHI   -175.00  -35.00        PSI    105.00  195.00     1HIC 723
ANGLE   THR   41 CHI1   135.00  345.00                                  1HIC 724
ANGLE   GLU   43 PHI     35.00  315.00        PSI     65.00  165.00     1HIC 725
ANGLE   THR   45 PHI     45.00  285.00        PSI   -105.00  225.00     1HIC 726
ANGLE   THR   45 CHI1  -235.00   15.00                                  1HIC 727
ANGLE   LYS   47 PHI   -185.00   75.00        PSI   -105.00  225.00     1HIC 728
ANGLE   LYS   47 CHI1    -5.00  245.00                                  1HIC 729
ANGLE   GLN   49 PHI   -175.00   55.00        PSI    105.00  205.00     1HIC 730
ANGLE   GLN   49 CHI1  -275.00   35.00                                  1HIC 731
ANGLE   SER   50 PHI     35.00  305.00        PSI   -105.00  225.00     1HIC 732
MASTER       98    0  104   40  407    6   70                           1HIC 733
END                                                                     1HIC 734

  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 437 H/Q atoms
  Start of MODEL    1
    1    H    VAL   1           HN       VAL   1  -9.455  11.950   1.876
    2    HA   VAL   1           HA       VAL   1  -9.929  12.895  -0.786
    3    HB   VAL   1           HB       VAL   1  -7.490  11.721   0.631
    4   1HG1  VAL   1          1HG1      VAL   1  -7.595  12.975  -2.135
    5   2HG1  VAL   1          2HG1      VAL   1  -6.118  12.680  -1.195
    6   3HG1  VAL   1          3HG1      VAL   1  -7.089  11.317  -1.714
    7   1HG2  VAL   1          1HG2      VAL   1  -8.423  14.544  -0.002
    8   2HG2  VAL   1          2HG2      VAL   1  -8.063  13.841   1.583
    9   3HG2  VAL   1          3HG2      VAL   1  -6.758  14.176   0.449
   10    QG1  VAL   1           QG1      VAL   1  -6.934  12.324  -1.681
   11    QG2  VAL   1           QG2      VAL   1  -7.748  14.187   0.677
   12    QQG  VAL   1           QQG      VAL   1  -7.341  13.256  -0.502
   13    H    VAL   2           HN       VAL   2  -9.183  11.500  -2.748
   14    HA   VAL   2           HA       VAL   2 -10.122   8.688  -2.419
   15    HB   VAL   2           HB       VAL   2 -10.422  10.626  -4.749
   16   1HG1  VAL   2          1HG1      VAL   2 -10.767   7.613  -4.620
   17   2HG1  VAL   2          2HG1      VAL   2 -11.606   8.605  -5.812
   18   3HG1  VAL   2          3HG1      VAL   2  -9.849   8.566  -5.788
   19   1HG2  VAL   2          1HG2      VAL   2 -12.139  10.803  -2.946
   20   2HG2  VAL   2          2HG2      VAL   2 -12.820  10.184  -4.449
   21   3HG2  VAL   2          3HG2      VAL   2 -12.473   9.072  -3.110
   22    QG1  VAL   2           QG1      VAL   2 -10.741   8.261  -5.407
   23    QG2  VAL   2           QG2      VAL   2 -12.477  10.020  -3.502
   24    QQG  VAL   2           QQG      VAL   2 -11.609   9.141  -4.454
   25    OH   TYR   3           OH       TYR   3  -7.080   9.755   2.452
   26    H    TYR   3           HN       TYR   3  -8.603   7.219  -2.908
   27    HA   TYR   3           HA       TYR   3  -5.918   8.170  -3.798
   28   1HB   TYR   3          2HB       TYR   3  -6.538   5.727  -2.127
   29   2HB   TYR   3          3HB       TYR   3  -4.986   6.515  -2.358
   30    HD1  TYR   3           HD1      TYR   3  -8.326   6.755  -0.713
   31    HD2  TYR   3           HD2      TYR   3  -4.328   8.368  -0.898
   32    HE1  TYR   3           HE1      TYR   3  -8.770   8.088   1.317
   33    HE2  TYR   3           HE2      TYR   3  -4.764   9.661   1.164
   34    HH   TYR   3           HH       TYR   3  -6.285  10.114   2.854
   35    QB   TYR   3           QB       TYR   3  -5.762   6.121  -2.242
   36    QR   TYR   3           QR       TYR   3  -6.547   8.218   0.218
   37    H    THR   4           HN       THR   4  -4.689   5.978  -4.648
   38    HA   THR   4           HA       THR   4  -6.517   4.587  -6.546
   39    HB   THR   4           HB       THR   4  -4.784   4.802  -8.270
   40    HG1  THR   4          1HG       THR   4  -3.590   6.843  -6.730
   41   1HG2  THR   4          1HG2      THR   4  -6.686   6.403  -8.178
   42   2HG2  THR   4          2HG2      THR   4  -5.705   7.519  -7.225
   43   3HG2  THR   4          3HG2      THR   4  -5.236   7.132  -8.882
   44    QG2  THR   4           QG2      THR   4  -5.876   7.018  -8.095
   45    H    ASP   5           HN       ASP   5  -5.471   2.545  -7.371
   46    HA   ASP   5           HA       ASP   5  -4.602   0.932  -5.222
   47   1HB   ASP   5          2HB       ASP   5  -4.525   0.594  -8.246
   48   2HB   ASP   5          3HB       ASP   5  -4.034  -0.694  -7.143
   49    QB   ASP   5           QB       ASP   5  -4.279  -0.050  -7.694
   50    H    CYS   6           HN       CYS   6  -2.481  -0.397  -5.310
   51    HA   CYS   6           HA       CYS   6  -0.121   1.361  -5.832
   52   1HB   CYS   6          2HB       CYS   6  -0.526  -1.181  -4.284
   53   2HB   CYS   6          3HB       CYS   6   1.020  -0.900  -5.080
   54    QB   CYS   6           QB       CYS   6   0.247  -1.040  -4.682
   55    H    THR   7           HN       THR   7   1.421   1.072  -7.296
   56    HA   THR   7           HA       THR   7   0.857  -0.834  -9.524
   57    HB   THR   7           HB       THR   7   2.123   0.441 -10.972
   58    HG1  THR   7          1HG       THR   7   3.909   1.072  -9.899
   59   1HG2  THR   7          3HG2      THR   7  -0.122   1.526 -10.104
   60   2HG2  THR   7          1HG2      THR   7   1.001   2.744  -9.440
   61   3HG2  THR   7          2HG2      THR   7   0.985   2.431 -11.160
   62    QG2  THR   7           QG2      THR   7   0.621   2.234 -10.235
   63    H    GLU   8           HN       GLU   8   3.195  -0.369  -6.914
   64    HA   GLU   8           HA       GLU   8   4.663  -2.755  -7.909
   65   1HB   GLU   8          2HB       GLU   8   6.765  -1.742  -7.036
   66   2HB   GLU   8          3HB       GLU   8   6.154  -0.896  -8.465
   67   1HG   GLU   8          2HG       GLU   8   5.312   0.928  -7.157
   68   2HG   GLU   8          3HG       GLU   8   5.532   0.018  -5.643
   69    QB   GLU   8           QB       GLU   8   6.460  -1.319  -7.750
   70    QG   GLU   8           QG       GLU   8   5.422   0.473  -6.400
   71    H    SER   9           HN       SER   9   5.698  -3.938  -6.136
   72    HA   SER   9           HA       SER   9   4.092  -3.919  -3.745
   73   1HB   SER   9          2HB       SER   9   6.448  -5.562  -4.710
   74   2HB   SER   9          3HB       SER   9   5.940  -5.639  -3.017
   75    HG   SER   9           HG       SER   9   4.886  -7.139  -4.624
   76    QB   SER   9           QB       SER   9   6.194  -5.600  -3.863
   77    H    GLY  10           HN       GLY  10   4.791  -3.532  -1.610
   78   1HA   GLY  10          1HA       GLY  10   6.260  -2.770   0.075
   79   2HA   GLY  10          2HA       GLY  10   7.516  -2.495  -1.121
   80    QA   GLY  10           QA       GLY  10   6.888  -2.632  -0.523
   81    H    GLN  11           HN       GLN  11   4.308  -1.204  -1.758
   82    HA   GLN  11           HA       GLN  11   5.300   1.522  -1.214
   83   1HB   GLN  11          2HB       GLN  11   3.596   0.307  -3.361
   84   2HB   GLN  11          3HB       GLN  11   3.076   1.884  -2.727
   85   1HG   GLN  11          2HG       GLN  11   5.222   2.875  -3.215
   86   2HG   GLN  11          3HG       GLN  11   5.793   1.355  -3.901
   87   1HE2  GLN  11          2HE2      GLN  11   4.613   3.524  -6.692
   88   2HE2  GLN  11          1HE2      GLN  11   5.865   3.489  -5.464
   89    QB   GLN  11           QB       GLN  11   3.336   1.096  -3.044
   90    QG   GLN  11           QG       GLN  11   5.508   2.115  -3.558
   91    QE2  GLN  11           QE2      GLN  11   5.239   3.507  -6.078
   92    H    ASN  12           HN       ASN  12   3.912   2.987  -0.154
   93    HA   ASN  12           HA       ASN  12   1.511   1.786   1.188
   94   1HB   ASN  12          2HB       ASN  12   1.927   2.950   3.166
   95   2HB   ASN  12          3HB       ASN  12   3.455   2.188   2.680
   96   1HD2  ASN  12          2HD2      ASN  12   4.912   5.233   3.661
   97   2HD2  ASN  12          1HD2      ASN  12   4.579   3.594   4.149
   98    QB   ASN  12           QB       ASN  12   2.691   2.569   2.923
   99    QD2  ASN  12           QD2      ASN  12   4.746   4.414   3.905
  100    H    LEU  13           HN       LEU  13   0.050   3.644   2.022
  101    HA   LEU  13           HA       LEU  13  -1.382   5.286   1.545
  102   1HB   LEU  13          2HB       LEU  13   1.224   6.413   0.887
  103   2HB   LEU  13          3HB       LEU  13   0.053   7.090  -0.203
  104    HG   LEU  13           HG       LEU  13   0.281   8.511   1.657
  105   1HD1  LEU  13          2HD1      LEU  13  -2.027   8.192   0.739
  106   2HD1  LEU  13          3HD1      LEU  13  -2.384   7.140   2.129
  107   3HD1  LEU  13          1HD1      LEU  13  -1.941   8.831   2.390
  108   1HD2  LEU  13          1HD2      LEU  13   0.006   6.020   3.330
  109   2HD2  LEU  13          2HD2      LEU  13   1.178   7.347   3.389
  110   3HD2  LEU  13          3HD2      LEU  13  -0.472   7.592   4.000
  111    QB   LEU  13           QB       LEU  13   0.639   6.752   0.342
  112    QD1  LEU  13           QD1      LEU  13  -2.117   8.054   1.753
  113    QD2  LEU  13           QD2      LEU  13   0.237   6.986   3.573
  114    QQD  LEU  13           QQD      LEU  13  -0.940   7.520   2.663
  115    H    CYS  14           HN       CYS  14  -1.722   3.028   0.070
  116    HA   CYS  14           HA       CYS  14  -3.055   4.072  -2.355
  117   1HB   CYS  14          2HB       CYS  14  -2.064   2.357  -3.762
  118   2HB   CYS  14          3HB       CYS  14  -0.785   3.318  -3.035
  119    QB   CYS  14           QB       CYS  14  -1.424   2.838  -3.398
  120    H    LEU  15           HN       LEU  15  -4.583   2.547  -3.163
  121    HA   LEU  15           HA       LEU  15  -6.075   1.179  -0.989
  122   1HB   LEU  15          2HB       LEU  15  -6.585   1.325  -4.000
  123   2HB   LEU  15          3HB       LEU  15  -7.739   0.814  -2.766
  124    HG   LEU  15           HG       LEU  15  -6.629   3.613  -3.217
  125   1HD1  LEU  15          1HD1      LEU  15  -9.435   2.471  -3.375
  126   2HD1  LEU  15          2HD1      LEU  15  -9.031   4.181  -3.498
  127   3HD1  LEU  15          3HD1      LEU  15  -8.445   3.051  -4.716
  128   1HD2  LEU  15          2HD2      LEU  15  -8.254   2.500  -0.910
  129   2HD2  LEU  15          3HD2      LEU  15  -6.716   3.373  -0.857
  130   3HD2  LEU  15          1HD2      LEU  15  -8.202   4.234  -1.295
  131    QB   LEU  15           QB       LEU  15  -7.162   1.070  -3.383
  132    QD1  LEU  15           QD1      LEU  15  -8.970   3.234  -3.863
  133    QD2  LEU  15           QD2      LEU  15  -7.724   3.369  -1.021
  134    QQD  LEU  15           QQD      LEU  15  -8.347   3.302  -2.442
  135    H    CYS  16           HN       CYS  16  -6.158  -0.937  -0.483
  136    HA   CYS  16           HA       CYS  16  -4.551  -2.792  -2.234
  137   1HB   CYS  16          2HB       CYS  16  -3.044  -1.672  -0.533
  138   2HB   CYS  16          3HB       CYS  16  -4.042  -2.396   0.714
  139    QB   CYS  16           QB       CYS  16  -3.543  -2.034   0.091
  140    H    GLU  17           HN       GLU  17  -6.194  -2.652   0.915
  141    HA   GLU  17           HA       GLU  17  -7.773  -5.085   0.149
  142   1HB   GLU  17          2HB       GLU  17  -7.363  -3.755   2.837
  143   2HB   GLU  17          3HB       GLU  17  -8.789  -4.716   2.465
  144   1HG   GLU  17          2HG       GLU  17  -7.094  -6.530   1.599
  145   2HG   GLU  17          3HG       GLU  17  -5.924  -5.647   2.580
  146    QB   GLU  17           QB       GLU  17  -8.076  -4.235   2.651
  147    QG   GLU  17           QG       GLU  17  -6.509  -6.088   2.090
  148    H    ASP  18           HN       GLY  18  -8.770  -4.066  -1.583
  149   1HA   ASP  18          1HA       GLY  18 -10.611  -3.044  -2.543
  150   2HA   ASP  18          2HA       GLY  18 -11.353  -3.053  -0.933
  151    QA   ASP  18           QA       GLY  18 -10.982  -3.048  -1.738
  152    H    SER  19           HN       SER  19 -12.115  -0.937  -0.716
  153    HA   SER  19           HA       SER  19 -10.549   1.320  -1.680
  154   1HB   SER  19          2HB       SER  19 -13.062   1.266  -1.711
  155   2HB   SER  19          3HB       SER  19 -13.035   1.357   0.069
  156    HG   SER  19           HG       SER  19 -11.675   3.287  -0.296
  157    QB   SER  19           QB       SER  19 -13.048   1.312  -0.821
  158    H    ASN  20           HN       ASN  20  -9.844  -0.592   0.932
  159    HA   ASN  20           HA       ASN  20  -9.421   1.595   2.860
  160   1HB   ASN  20          2HB       ASN  20  -8.608  -1.314   3.103
  161   2HB   ASN  20          3HB       ASN  20  -8.620  -0.075   4.351
  162   1HD2  ASN  20          2HD2      ASN  20 -12.109  -1.972   3.339
  163   2HD2  ASN  20          1HD2      ASN  20 -10.620  -2.231   2.422
  164    QB   ASN  20           QB       ASN  20  -8.614  -0.694   3.727
  165    QD2  ASN  20           QD2      ASN  20 -11.364  -2.101   2.881
  166    H    VAL  21           HN       VAL  21  -7.603   2.708   2.915
  167    HA   VAL  21           HA       VAL  21  -5.509   2.300   0.973
  168    HB   VAL  21           HB       VAL  21  -5.601   4.214   3.333
  169   1HG1  VAL  21          3HG1      VAL  21  -4.125   4.309   0.667
  170   2HG1  VAL  21          1HG1      VAL  21  -4.149   5.616   1.862
  171   3HG1  VAL  21          2HG1      VAL  21  -3.380   4.070   2.263
  172   1HG2  VAL  21          2HG2      VAL  21  -7.634   4.441   1.684
  173   2HG2  VAL  21          3HG2      VAL  21  -6.661   5.854   2.056
  174   3HG2  VAL  21          1HG2      VAL  21  -6.417   5.007   0.540
  175    QG1  VAL  21           QG1      VAL  21  -3.885   4.665   1.597
  176    QG2  VAL  21           QG2      VAL  21  -6.904   5.101   1.427
  177    QQG  VAL  21           QQG      VAL  21  -5.394   4.883   1.512
  178    H    CYS  22           HN       CYS  22  -3.455   1.441   1.344
  179    HA   CYS  22           HA       CYS  22  -2.911   0.065   3.833
  180   1HB   CYS  22          2HB       CYS  22  -2.140  -0.716   1.570
  181   2HB   CYS  22          3HB       CYS  22  -0.951   0.593   1.584
  182    QB   CYS  22           QB       CYS  22  -1.545  -0.061   1.577
  183    H    GLY  23           HN       GLY  23  -3.093   1.595   5.311
  184   1HA   GLY  23          1HA       GLY  23  -2.201   4.119   5.618
  185   2HA   GLY  23          2HA       GLY  23  -2.310   2.961   6.950
  186    QA   GLY  23           QA       GLY  23  -2.255   3.540   6.284
  187    H    GLN  24           HN       GLN  24  -0.477   5.148   6.789
  188    HA   GLN  24           HA       GLN  24   2.063   4.469   5.921
  189   1HB   GLN  24          2HB       GLN  24   0.875   6.517   7.660
  190   2HB   GLN  24          3HB       GLN  24   2.450   6.011   8.280
  191   1HG   GLN  24          2HG       GLN  24   3.503   6.407   6.112
  192   2HG   GLN  24          3HG       GLN  24   1.932   6.792   5.396
  193   1HE2  GLN  24          2HE2      GLN  24   2.331  10.201   6.201
  194   2HE2  GLN  24          1HE2      GLN  24   1.689   8.995   5.100
  195    QB   GLN  24           QB       GLN  24   1.663   6.264   7.970
  196    QG   GLN  24           QG       GLN  24   2.718   6.600   5.754
  197    QE2  GLN  24           QE2      GLN  24   2.010   9.598   5.651
  198    H    GLY  25           HN       GLY  25   3.915   3.598   6.876
  199   1HA   GLY  25          1HA       GLY  25   5.118   2.204   8.235
  200   2HA   GLY  25          2HA       GLY  25   3.812   2.189   9.431
  201    QA   GLY  25           QA       GLY  25   4.465   2.197   8.833
  202    H    ASN  26           HN       ASN  26   2.300   1.455   6.521
  203    HA   ASN  26           HA       ASN  26   2.924  -1.440   6.594
  204   1HB   ASN  26          2HB       ASN  26   0.219  -0.205   5.888
  205   2HB   ASN  26          3HB       ASN  26   0.599  -1.911   6.180
  206   1HD2  ASN  26          2HD2      ASN  26  -1.277  -0.735   9.134
  207   2HD2  ASN  26          1HD2      ASN  26  -1.602  -0.926   7.401
  208    QB   ASN  26           QB       ASN  26   0.409  -1.058   6.034
  209    QD2  ASN  26           QD2      ASN  26  -1.439  -0.830   8.268
  210    H    LYS  27           HN       LYS  27   2.749  -2.467   4.439
  211    HA   LYS  27           HA       LYS  27   2.643  -0.580   2.160
  212   1HB   LYS  27          2HB       LYS  27   4.592  -1.926   1.219
  213   2HB   LYS  27          3HB       LYS  27   4.825  -0.565   2.314
  214   1HG   LYS  27          2HG       LYS  27   6.407  -2.324   2.710
  215   2HG   LYS  27          3HG       LYS  27   5.436  -1.946   4.139
  216   1HD   LYS  27          2HD       LYS  27   4.168  -3.996   3.894
  217   2HD   LYS  27          3HD       LYS  27   4.865  -4.299   2.300
  218   1HE   LYS  27          2HE       LYS  27   6.964  -3.948   4.357
  219   2HE   LYS  27          3HE       LYS  27   5.829  -5.199   4.847
  220   1HZ   LYS  27          3HZ       LYS  27   7.245  -5.135   2.265
  221   2HZ   LYS  27          1HZ       LYS  27   7.665  -6.053   3.560
  222   3HZ   LYS  27          2HZ       LYS  27   6.243  -6.334   2.792
  223    QB   LYS  27           QB       LYS  27   4.709  -1.245   1.767
  224    QG   LYS  27           QG       LYS  27   5.922  -2.135   3.425
  225    QD   LYS  27           QD       LYS  27   4.517  -4.147   3.097
  226    QE   LYS  27           QE       LYS  27   6.397  -4.573   4.602
  227    QZ   LYS  27           QZ       LYS  27   7.051  -5.841   2.872
  228    H    CYS  28           HN       CYS  28   2.262  -1.599   0.090
  229    HA   CYS  28           HA       CYS  28   0.509  -3.966   0.491
  230   1HB   CYS  28          2HB       CYS  28  -0.429  -1.854  -0.537
  231   2HB   CYS  28          3HB       CYS  28   0.652  -2.151  -1.903
  232    QB   CYS  28           QB       CYS  28   0.112  -2.002  -1.220
  233    H    ILE  29           HN       ILE  29   1.157  -5.945  -0.269
  234    HA   ILE  29           HA       ILE  29   3.423  -5.954  -2.213
  235    HB   ILE  29           HB       ILE  29   2.269  -8.132  -0.486
  236   1HG1  ILE  29          2HG1      ILE  29   4.512  -8.274   0.415
  237   2HG1  ILE  29          3HG1      ILE  29   4.970  -6.799  -0.464
  238   1HG2  ILE  29          1HG2      ILE  29   3.592  -8.400  -3.033
  239   2HG2  ILE  29          2HG2      ILE  29   4.678  -8.963  -1.770
  240   3HG2  ILE  29          3HG2      ILE  29   3.055  -9.654  -1.908
  241   1HD1  ILE  29          3HD1      ILE  29   2.660  -6.899   1.527
  242   2HD1  ILE  29          1HD1      ILE  29   4.338  -6.627   2.018
  243   3HD1  ILE  29          2HD1      ILE  29   3.550  -5.473   0.940
  244    QG1  ILE  29           QG1      ILE  29   4.741  -7.536  -0.024
  245    QG2  ILE  29           QG2      ILE  29   3.775  -9.006  -2.237
  246    QD1  ILE  29           QD1      ILE  29   3.516  -6.333   1.495
  247    H    LEU  30           HN       LEU  30   2.759  -5.861  -4.277
  248    HA   LEU  30           HA       LEU  30   0.021  -6.558  -5.138
  249   1HB   LEU  30          2HB       LEU  30   2.532  -5.464  -6.387
  250   2HB   LEU  30          3HB       LEU  30   1.579  -6.562  -7.386
  251    HG   LEU  30           HG       LEU  30  -0.449  -5.182  -6.991
  252   1HD1  LEU  30          1HD1      LEU  30   0.253  -4.082  -4.858
  253   2HD1  LEU  30          2HD1      LEU  30   1.470  -3.161  -5.771
  254   3HD1  LEU  30          3HD1      LEU  30  -0.264  -2.949  -6.092
  255   1HD2  LEU  30          3HD2      LEU  30   1.875  -4.524  -8.624
  256   2HD2  LEU  30          1HD2      LEU  30   0.147  -4.387  -8.997
  257   3HD2  LEU  30          2HD2      LEU  30   0.986  -3.063  -8.190
  258    QB   LEU  30           QB       LEU  30   2.056  -6.013  -6.886
  259    QD1  LEU  30           QD1      LEU  30   0.486  -3.397  -5.574
  260    QD2  LEU  30           QD2      LEU  30   1.003  -3.991  -8.604
  261    QQD  LEU  30           QQD      LEU  30   0.745  -3.694  -7.089
  262    H    GLY  31           HN       GLY  31  -0.548  -8.627  -5.633
  263   1HA   GLY  31          1HA       GLY  31   0.961 -10.886  -4.882
  264   2HA   GLY  31          2HA       GLY  31  -0.381 -10.886  -6.063
  265    QA   GLY  31           QA       GLY  31   0.290 -10.886  -5.472
  266    H    SER  32           HN       SER  32   2.004 -12.602  -6.268
  267    HA   SER  32           HA       SER  32   3.132 -11.425  -8.808
  268   1HB   SER  32          2HB       SER  32   4.718 -12.273  -6.411
  269   2HB   SER  32          3HB       SER  32   5.428 -12.276  -8.010
  270    HG   SER  32           HG       SER  32   4.609 -10.026  -8.141
  271    QB   SER  32           QB       SER  32   5.073 -12.274  -7.210
  272    H    ASN  33           HN       ASP  33   1.153 -13.332  -8.680
  273    HA   ASN  33           HA       ASP  33   1.801 -15.839  -9.703
  274   1HB   ASN  33          2HB       ASP  33   2.022 -17.113  -7.552
  275   2HB   ASN  33          3HB       ASP  33   3.416 -16.125  -7.825
  276    QB   ASN  33           QB       ASP  33   2.719 -16.619  -7.688
  277    H    GLY  34           HN       GLY  34  -0.478 -14.070  -9.743
  278   1HA   GLY  34          1HA       GLY  34  -2.759 -14.334  -9.663
  279   2HA   GLY  34          2HA       GLY  34  -2.511 -15.974  -9.063
  280    QA   GLY  34           QA       GLY  34  -2.635 -15.154  -9.363
  281    H    GLU  35           HN       GLU  35  -0.876 -14.377  -6.734
  282    HA   GLU  35           HA       GLU  35  -2.966 -14.174  -4.871
  283   1HB   GLU  35          2HB       GLU  35  -0.101 -13.170  -5.049
  284   2HB   GLU  35          3HB       GLU  35  -1.021 -12.734  -3.675
  285   1HG   GLU  35          2HG       GLU  35  -0.520 -15.595  -4.611
  286   2HG   GLU  35          3HG       GLU  35   0.236 -14.812  -3.223
  287    QB   GLU  35           QB       GLU  35  -0.561 -12.952  -4.362
  288    QG   GLU  35           QG       GLU  35  -0.142 -15.203  -3.917
  289    H    LYS  36           HN       LYS  36  -3.617 -12.354  -3.658
  290    HA   LYS  36           HA       LYS  36  -4.436 -10.109  -5.439
  291   1HB   LYS  36          2HB       LYS  36  -5.591 -11.093  -2.801
  292   2HB   LYS  36          3HB       LYS  36  -6.208  -9.760  -3.777
  293   1HG   LYS  36          2HG       LYS  36  -6.482 -11.320  -5.715
  294   2HG   LYS  36          3HG       LYS  36  -6.031 -12.674  -4.685
  295   1HD   LYS  36          2HD       LYS  36  -8.428 -10.836  -4.203
  296   2HD   LYS  36          3HD       LYS  36  -8.478 -12.380  -5.069
  297   1HE   LYS  36          2HE       LYS  36  -7.494 -13.472  -2.954
  298   2HE   LYS  36          3HE       LYS  36  -7.819 -11.943  -2.120
  299   1HZ   LYS  36          1HZ       LYS  36 -10.149 -12.225  -2.702
  300   2HZ   LYS  36          2HZ       LYS  36  -9.816 -13.650  -3.461
  301   3HZ   LYS  36          3HZ       LYS  36  -9.596 -13.513  -1.840
  302    QB   LYS  36           QB       LYS  36  -5.899 -10.426  -3.289
  303    QG   LYS  36           QG       LYS  36  -6.256 -11.997  -5.200
  304    QD   LYS  36           QD       LYS  36  -8.453 -11.608  -4.636
  305    QE   LYS  36           QE       LYS  36  -7.656 -12.707  -2.537
  306    QZ   LYS  36           QZ       LYS  36  -9.854 -13.129  -2.668
  307    H    ASN  37           HN       ASN  37  -4.659  -8.001  -4.300
  308    HA   ASN  37           HA       ASN  37  -2.158  -7.044  -3.410
  309   1HB   ASN  37          2HB       ASN  37  -5.000  -5.935  -3.212
  310   2HB   ASN  37          3HB       ASN  37  -3.585  -4.992  -2.765
  311   1HD2  ASN  37          2HD2      ASN  37  -2.876  -4.065  -6.085
  312   2HD2  ASN  37          1HD2      ASN  37  -2.555  -3.815  -4.380
  313    QB   ASN  37           QB       ASN  37  -4.292  -5.463  -2.988
  314    QD2  ASN  37           QD2      ASN  37  -2.715  -3.940  -5.232
  315    H    GLN  38           HN       GLN  38  -1.209  -7.245  -1.408
  316    HA   GLN  38           HA       GLN  38  -2.932  -7.731   1.017
  317   1HB   GLN  38          2HB       GLN  38  -0.787  -9.018   1.763
  318   2HB   GLN  38          3HB       GLN  38  -2.022  -9.777   0.779
  319   1HG   GLN  38          2HG       GLN  38  -0.773  -9.765  -1.180
  320   2HG   GLN  38          3HG       GLN  38   0.291  -8.513  -0.556
  321   1HE2  GLN  38          2HE2      GLN  38   1.272 -12.402   0.009
  322   2HE2  GLN  38          1HE2      GLN  38  -0.106 -11.924  -0.962
  323    QB   GLN  38           QB       GLN  38  -1.404  -9.397   1.271
  324    QG   GLN  38           QG       GLN  38  -0.241  -9.139  -0.868
  325    QE2  GLN  38           QE2      GLN  38   0.583 -12.163  -0.476
  326    H    CYS  39           HN       CYS  39  -2.824  -6.036   2.346
  327    HA   CYS  39           HA       CYS  39  -0.424  -4.309   2.360
  328   1HB   CYS  39          2HB       CYS  39  -2.593  -3.151   2.295
  329   2HB   CYS  39          3HB       CYS  39  -3.148  -4.086   3.683
  330    QB   CYS  39           QB       CYS  39  -2.870  -3.618   2.989
  331    H    VAL  40           HN       VAL  40   1.166  -4.716   3.870
  332    HA   VAL  40           HA       VAL  40   0.329  -5.960   6.460
  333    HB   VAL  40           HB       VAL  40   2.069  -7.503   6.477
  334   1HG1  VAL  40          2HG1      VAL  40   0.111  -8.110   4.994
  335   2HG1  VAL  40          3HG1      VAL  40   1.083  -7.652   3.610
  336   3HG1  VAL  40          1HG1      VAL  40   1.589  -8.971   4.635
  337   1HG2  VAL  40          2HG2      VAL  40   3.161  -6.168   3.980
  338   2HG2  VAL  40          3HG2      VAL  40   3.918  -6.263   5.587
  339   3HG2  VAL  40          1HG2      VAL  40   3.746  -7.730   4.617
  340    QG1  VAL  40           QG1      VAL  40   0.928  -8.244   4.413
  341    QG2  VAL  40           QG2      VAL  40   3.608  -6.720   4.728
  342    QQG  VAL  40           QQG      VAL  40   2.268  -7.482   4.571
  343    H    THR  41           HN       THR  41   1.661  -5.429   8.254
  344    HA   THR  41           HA       THR  41   2.578  -2.717   8.244
  345    HB   THR  41           HB       THR  41   1.595  -3.587  10.195
  346    HG1  THR  41          1HG       THR  41   4.329  -3.173  10.711
  347   1HG2  THR  41          1HG2      THR  41   3.748  -5.714  10.078
  348   2HG2  THR  41          2HG2      THR  41   2.983  -5.263  11.619
  349   3HG2  THR  41          3HG2      THR  41   1.995  -5.906  10.298
  350    QG2  THR  41           QG2      THR  41   2.909  -5.628  10.665
  351    H    GLY  42           HN       GLY  42   4.740  -1.958   8.743
  352   1HA   GLY  42          1HA       GLY  42   7.097  -3.089   9.143
  353   2HA   GLY  42          2HA       GLY  42   6.930  -3.432   7.407
  354    QA   GLY  42           QA       GLY  42   7.014  -3.260   8.275
  355    H    GLU  43           HN       GLU  43   7.357  -1.783   5.950
  356    HA   GLU  43           HA       GLU  43   6.641   0.895   6.343
  357   1HB   GLU  43          2HB       GLU  43   9.316   0.197   7.300
  358   2HB   GLU  43          3HB       GLU  43   9.516   1.130   5.826
  359   1HG   GLU  43          2HG       GLU  43   7.761   1.992   8.155
  360   2HG   GLU  43          3HG       GLU  43   9.458   2.388   7.954
  361    QB   GLU  43           QB       GLU  43   9.416   0.664   6.563
  362    QG   GLU  43           QG       GLU  43   8.610   2.190   8.055
  363    H    GLY  44           HN       GLY  44   7.236   2.122   4.317
  364   1HA   GLY  44          1HA       GLY  44   8.108   0.504   1.963
  365   2HA   GLY  44          2HA       GLY  44   6.362   0.759   2.027
  366    QA   GLY  44           QA       GLY  44   7.235   0.632   1.995
  367    H    THR  45           HN       THR  45   7.771   1.733  -0.082
  368    HA   THR  45           HA       THR  45   8.453   4.515   0.266
  369    HB   THR  45           HB       THR  45   7.965   2.779  -2.188
  370    HG1  THR  45          1HG       THR  45  10.283   2.764  -2.119
  371   1HG2  THR  45          3HG2      THR  45   7.851   5.186  -2.826
  372   2HG2  THR  45          1HG2      THR  45   9.421   5.452  -2.028
  373   3HG2  THR  45          2HG2      THR  45   9.303   4.398  -3.441
  374    QG2  THR  45           QG2      THR  45   8.858   5.012  -2.765
  375    HA   PRO  46           HA       PRO  46   4.204   5.926  -0.392
  376   1HB   PRO  46          2HB       PRO  46   4.561   8.599  -0.796
  377   2HB   PRO  46          3HB       PRO  46   4.716   7.784   0.793
  378   1HG   PRO  46          2HG       PRO  46   6.923   8.543  -1.162
  379   2HG   PRO  46          3HG       PRO  46   6.892   8.846   0.595
  380   1HD   PRO  46          2HD       PRO  46   8.210   6.729  -0.531
  381   2HD   PRO  46          3HD       PRO  46   7.428   6.592   1.070
  382    QB   PRO  46           QB       PRO  46   4.639   8.192  -0.001
  383    QG   PRO  46           QG       PRO  46   6.908   8.695  -0.283
  384    QD   PRO  46           QD       PRO  46   7.819   6.661   0.270
  385    H    LYS  47           HN       LYS  47   3.042   5.698  -2.151
  386    HA   LYS  47           HA       LYS  47   3.975   5.502  -4.719
  387   1HB   LYS  47          2HB       LYS  47   1.827   4.644  -3.724
  388   2HB   LYS  47          3HB       LYS  47   1.136   6.249  -3.997
  389   1HG   LYS  47          2HG       LYS  47   1.835   5.989  -6.437
  390   2HG   LYS  47          3HG       LYS  47   2.292   4.317  -6.062
  391   1HD   LYS  47          2HD       LYS  47  -0.044   3.814  -5.391
  392   2HD   LYS  47          3HD       LYS  47  -0.485   5.497  -5.692
  393   1HE   LYS  47          2HE       LYS  47   0.611   4.984  -8.110
  394   2HE   LYS  47          3HE       LYS  47   0.206   3.328  -7.613
  395   1HZ   LYS  47          1HZ       LYS  47  -1.844   5.470  -7.654
  396   2HZ   LYS  47          2HZ       LYS  47  -1.514   4.482  -8.934
  397   3HZ   LYS  47          3HZ       LYS  47  -2.017   3.859  -7.489
  398    QB   LYS  47           QB       LYS  47   1.482   5.447  -3.860
  399    QG   LYS  47           QG       LYS  47   2.064   5.153  -6.249
  400    QD   LYS  47           QD       LYS  47  -0.264   4.656  -5.541
  401    QE   LYS  47           QE       LYS  47   0.409   4.156  -7.861
  402    QZ   LYS  47           QZ       LYS  47  -1.792   4.604  -8.026
  403    HA   PRO  48           HA       PRO  48   4.409   9.956  -5.609
  404   1HB   PRO  48          2HB       PRO  48   5.744   9.763  -8.015
  405   2HB   PRO  48          3HB       PRO  48   6.491   9.463  -6.425
  406   1HG   PRO  48          2HG       PRO  48   5.511   7.443  -8.429
  407   2HG   PRO  48          3HG       PRO  48   6.976   7.394  -7.411
  408   1HD   PRO  48          2HD       PRO  48   4.581   6.093  -6.840
  409   2HD   PRO  48          3HD       PRO  48   5.808   6.542  -5.615
  410    QB   PRO  48           QB       PRO  48   6.118   9.613  -7.220
  411    QG   PRO  48           QG       PRO  48   6.244   7.419  -7.920
  412    QD   PRO  48           QD       PRO  48   5.195   6.318  -6.227
  413    H    GLN  49           HN       GLN  49   3.576  11.597  -7.322
  414    HA   GLN  49           HA       GLN  49   0.922  10.684  -7.921
  415   1HB   GLN  49          2HB       GLN  49   2.207  13.396  -8.412
  416   2HB   GLN  49          3HB       GLN  49   0.514  12.978  -8.302
  417   1HG   GLN  49          2HG       GLN  49   2.542  13.128  -6.084
  418   2HG   GLN  49          3HG       GLN  49   0.986  13.949  -6.221
  419   1HE2  GLN  49          2HE2      GLN  49   1.187  10.504  -4.173
  420   2HE2  GLN  49          1HE2      GLN  49   2.509  11.602  -4.461
  421    QB   GLN  49           QB       GLN  49   1.361  13.187  -8.357
  422    QG   GLN  49           QG       GLN  49   1.764  13.539  -6.152
  423    QE2  GLN  49           QE2      GLN  49   1.848  11.053  -4.317
  424    H    SER  50           HN       SER  50   0.672   9.432  -9.583
  425    HA   SER  50           HA       SER  50   0.790   8.441 -11.598
  426   1HB   SER  50          2HB       SER  50   2.131  10.890 -12.790
  427   2HB   SER  50          3HB       SER  50   1.449   9.510 -13.644
  428    HG   SER  50           HG       SER  50   0.022  11.269 -11.929
  429    QB   SER  50           QB       SER  50   1.790  10.200 -13.217
  430    H    HIS  51           HN       HIS  51   2.326   7.047 -12.547
  431    HA   HIS  51           HA       HIS  51   5.156   7.206 -11.614
  432   1HB   HIS  51          2HB       HIS  51   4.181   5.048 -11.080
  433   2HB   HIS  51          3HB       HIS  51   3.419   4.943 -12.676
  434    HD1  HIS  51           HD1      HIS  51   4.577   3.005 -13.871
  435    HD2  HIS  51           HD2      HIS  51   7.222   5.580 -11.855
  436    HE1  HIS  51           HE1      HIS  51   6.938   2.182 -14.388
  437    QB   HIS  51           QB       HIS  51   3.800   4.996 -11.878
   
  Start of MODEL           2
 Raw file had 437 H/Q atoms
  Start of MODEL    2
    1    H    VAL   1           HN       VAL   1 -10.053  14.739   1.060
    2    HA   VAL   1           HA       VAL   1  -8.399  13.152   0.863
    3    HB   VAL   1           HB       VAL   1 -10.378  11.876   2.806
    4   1HG1  VAL   1          3HG1      VAL   1  -7.392  11.435   2.373
    5   2HG1  VAL   1          1HG1      VAL   1  -8.240  11.001   3.871
    6   3HG1  VAL   1          2HG1      VAL   1  -8.693  10.222   2.354
    7   1HG2  VAL   1          2HG2      VAL   1  -8.132  13.901   3.217
    8   2HG2  VAL   1          3HG2      VAL   1  -9.874  14.207   3.413
    9   3HG2  VAL   1          1HG2      VAL   1  -9.047  13.106   4.515
   10    QG1  VAL   1           QG1      VAL   1  -8.108  10.886   2.866
   11    QG2  VAL   1           QG2      VAL   1  -9.018  13.738   3.715
   12    QQG  VAL   1           QQG      VAL   1  -8.563  12.312   3.291
   13    H    VAL   2           HN       VAL   2  -8.575  12.648  -1.335
   14    HA   VAL   2           HA       VAL   2 -10.115  10.253  -2.146
   15    HB   VAL   2           HB       VAL   2  -8.479  12.336  -3.671
   16   1HG1  VAL   2          1HG1      VAL   2  -9.996   9.912  -4.729
   17   2HG1  VAL   2          2HG1      VAL   2  -9.406  11.256  -5.726
   18   3HG1  VAL   2          3HG1      VAL   2  -8.249  10.229  -4.877
   19   1HG2  VAL   2          3HG2      VAL   2 -10.702  13.151  -2.897
   20   2HG2  VAL   2          1HG2      VAL   2 -10.661  12.953  -4.653
   21   3HG2  VAL   2          2HG2      VAL   2 -11.472  11.736  -3.649
   22    QG1  VAL   2           QG1      VAL   2  -9.217  10.466  -5.111
   23    QG2  VAL   2           QG2      VAL   2 -10.945  12.613  -3.733
   24    QQG  VAL   2           QQG      VAL   2 -10.081  11.539  -4.422
   25    OH   TYR   3           OH       TYR   3  -4.130   8.525   3.209
   26    H    TYR   3           HN       TYR   3  -8.931   8.429  -3.009
   27    HA   TYR   3           HA       TYR   3  -6.035   8.293  -2.567
   28   1HB   TYR   3          2HB       TYR   3  -8.133   6.671  -1.083
   29   2HB   TYR   3          3HB       TYR   3  -6.636   5.896  -1.574
   30    HD1  TYR   3           HD2      TYR   3  -4.402   7.086  -1.074
   31    HD2  TYR   3           HD1      TYR   3  -8.080   7.735   1.091
   32    HE1  TYR   3           HE2      TYR   3  -3.113   7.894   0.875
   33    HE2  TYR   3           HE1      TYR   3  -6.777   8.433   3.078
   34    HH   TYR   3           HH       TYR   3  -4.665   8.653   3.994
   35    QB   TYR   3           QB       TYR   3  -7.385   6.284  -1.329
   36    QR   TYR   3           QR       TYR   3  -5.593   7.787   0.993
   37    H    THR   4           HN       THR   4  -5.167   6.271  -3.614
   38    HA   THR   4           HA       THR   4  -6.808   5.275  -5.860
   39    HB   THR   4           HB       THR   4  -4.906   5.755  -7.370
   40    HG1  THR   4          1HG       THR   4  -3.334   7.312  -6.556
   41   1HG2  THR   4          3HG2      THR   4  -6.786   7.446  -7.173
   42   2HG2  THR   4          1HG2      THR   4  -5.794   8.349  -6.007
   43   3HG2  THR   4          2HG2      THR   4  -5.237   8.154  -7.676
   44    QG2  THR   4           QG2      THR   4  -5.939   7.983  -6.952
   45    H    ASP   5           HN       ASP   5  -5.763   3.386  -6.869
   46    HA   ASP   5           HA       ASP   5  -4.814   1.611  -4.884
   47   1HB   ASP   5          2HB       ASP   5  -5.273   1.338  -7.876
   48   2HB   ASP   5          3HB       ASP   5  -4.692   0.001  -6.880
   49    QB   ASP   5           QB       ASP   5  -4.983   0.669  -7.378
   50    H    CYS   6           HN       CYS   6  -2.919   0.067  -5.143
   51    HA   CYS   6           HA       CYS   6  -0.546   1.797  -5.671
   52   1HB   CYS   6          2HB       CYS   6  -0.627  -0.982  -4.468
   53   2HB   CYS   6          3HB       CYS   6   0.818  -0.064  -4.850
   54    QB   CYS   6           QB       CYS   6   0.096  -0.523  -4.659
   55    H    THR   7           HN       THR   7   1.301   0.984  -6.920
   56    HA   THR   7           HA       THR   7   0.382  -0.558  -9.310
   57    HB   THR   7           HB       THR   7   1.927   1.126 -10.486
   58    HG1  THR   7          1HG       THR   7   2.715   2.684  -9.306
   59   1HG2  THR   7          3HG2      THR   7  -0.598   1.121 -10.546
   60   2HG2  THR   7          1HG2      THR   7  -0.601   2.206  -9.145
   61   3HG2  THR   7          2HG2      THR   7   0.111   2.737 -10.687
   62    QG2  THR   7           QG2      THR   7  -0.363   2.021 -10.126
   63    H    GLU   8           HN       GLU   8   2.158  -1.270  -6.755
   64    HA   GLU   8           HA       GLU   8   3.863  -3.138  -8.045
   65   1HB   GLU   8          2HB       GLU   8   6.049  -2.069  -7.470
   66   2HB   GLU   8          3HB       GLU   8   5.164  -1.120  -8.654
   67   1HG   GLU   8          2HG       GLU   8   4.236   0.148  -6.480
   68   2HG   GLU   8          3HG       GLU   8   5.693  -0.547  -5.758
   69    QB   GLU   8           QB       GLU   8   5.607  -1.595  -8.062
   70    QG   GLU   8           QG       GLU   8   4.965  -0.200  -6.119
   71    H    SER   9           HN       SER   9   5.227  -4.265  -6.321
   72    HA   SER   9           HA       SER   9   3.847  -4.374  -3.738
   73   1HB   SER   9          2HB       SER   9   6.112  -5.933  -5.026
   74   2HB   SER   9          3HB       SER   9   5.826  -6.053  -3.288
   75    HG   SER   9           HG       SER   9   4.701  -7.610  -4.688
   76    QB   SER   9           QB       SER   9   5.969  -5.993  -4.157
   77    H    GLY  10           HN       GLY  10   4.919  -4.216  -1.717
   78   1HA   GLY  10          1HA       GLY  10   6.286  -3.377  -0.092
   79   2HA   GLY  10          2HA       GLY  10   7.531  -3.012  -1.312
   80    QA   GLY  10           QA       GLY  10   6.908  -3.194  -0.702
   81    H    GLN  11           HN       GLN  11   4.479  -1.710  -2.131
   82    HA   GLN  11           HA       GLN  11   5.523   0.983  -1.623
   83   1HB   GLN  11          2HB       GLN  11   4.127  -0.304  -3.740
   84   2HB   GLN  11          3HB       GLN  11   2.939   0.761  -3.023
   85   1HG   GLN  11          2HG       GLN  11   5.436   2.260  -3.308
   86   2HG   GLN  11          3HG       GLN  11   5.225   1.341  -4.739
   87   1HE2  GLN  11          2HE2      GLN  11   2.936   3.693  -5.994
   88   2HE2  GLN  11          1HE2      GLN  11   4.344   2.672  -6.272
   89    QB   GLN  11           QB       GLN  11   3.533   0.229  -3.382
   90    QG   GLN  11           QG       GLN  11   5.331   1.800  -4.023
   91    QE2  GLN  11           QE2      GLN  11   3.640   3.183  -6.133
   92    H    ASN  12           HN       ASN  12   3.417   2.634  -1.158
   93    HA   ASN  12           HA       ASN  12   1.406   1.497   0.534
   94   1HB   ASN  12          2HB       ASN  12   2.060   2.235   2.701
   95   2HB   ASN  12          3HB       ASN  12   3.425   1.358   2.088
   96   1HD2  ASN  12          2HD2      ASN  12   4.769   4.255   3.778
   97   2HD2  ASN  12          1HD2      ASN  12   3.682   2.922   4.225
   98    QB   ASN  12           QB       ASN  12   2.742   1.796   2.395
   99    QD2  ASN  12           QD2      ASN  12   4.225   3.589   4.001
  100    H    LEU  13           HN       LEU  13   0.337   3.458   1.792
  101    HA   LEU  13           HA       LEU  13  -0.674   5.512   1.716
  102   1HB   LEU  13          2HB       LEU  13   1.892   6.195   1.203
  103   2HB   LEU  13          3HB       LEU  13   1.198   6.589  -0.371
  104    HG   LEU  13           HG       LEU  13  -0.601   7.882   1.081
  105   1HD1  LEU  13          2HD1      LEU  13   0.216   6.968   3.275
  106   2HD1  LEU  13          3HD1      LEU  13   1.788   7.737   2.995
  107   3HD1  LEU  13          1HD1      LEU  13   0.339   8.738   3.220
  108   1HD2  LEU  13          2HD2      LEU  13   1.625   8.733  -0.304
  109   2HD2  LEU  13          3HD2      LEU  13   0.435   9.782   0.480
  110   3HD2  LEU  13          1HD2      LEU  13   1.948   9.379   1.314
  111    QB   LEU  13           QB       LEU  13   1.545   6.392   0.416
  112    QD1  LEU  13           QD1      LEU  13   0.781   7.814   3.164
  113    QD2  LEU  13           QD2      LEU  13   1.336   9.298   0.497
  114    QQD  LEU  13           QQD      LEU  13   1.058   8.556   1.830
  115    H    CYS  14           HN       CYS  14  -1.362   3.269   0.055
  116    HA   CYS  14           HA       CYS  14  -3.108   4.548  -1.841
  117   1HB   CYS  14          2HB       CYS  14  -2.238   2.975  -3.740
  118   2HB   CYS  14          3HB       CYS  14  -1.500   4.527  -3.407
  119    QB   CYS  14           QB       CYS  14  -1.869   3.751  -3.573
  120    H    LEU  15           HN       LEU  15  -4.538   2.915  -2.843
  121    HA   LEU  15           HA       LEU  15  -5.622   1.236  -0.717
  122   1HB   LEU  15          2HB       LEU  15  -6.603   1.638  -3.571
  123   2HB   LEU  15          3HB       LEU  15  -7.475   0.893  -2.237
  124    HG   LEU  15           HG       LEU  15  -6.584   3.807  -2.411
  125   1HD1  LEU  15          3HD1      LEU  15  -9.356   2.588  -2.535
  126   2HD1  LEU  15          1HD1      LEU  15  -8.980   4.324  -2.475
  127   3HD1  LEU  15          2HD1      LEU  15  -8.466   3.364  -3.874
  128   1HD2  LEU  15          2HD2      LEU  15  -7.968   2.240  -0.208
  129   2HD2  LEU  15          3HD2      LEU  15  -6.550   3.318  -0.126
  130   3HD2  LEU  15          1HD2      LEU  15  -8.159   3.999  -0.354
  131    QB   LEU  15           QB       LEU  15  -7.039   1.265  -2.904
  132    QD1  LEU  15           QD1      LEU  15  -8.934   3.425  -2.962
  133    QD2  LEU  15           QD2      LEU  15  -7.559   3.186  -0.229
  134    QQD  LEU  15           QQD      LEU  15  -8.246   3.305  -1.595
  135    H    CYS  16           HN       CYS  16  -4.587  -0.617  -0.334
  136    HA   CYS  16           HA       CYS  16  -3.133  -1.939  -2.581
  137   1HB   CYS  16          2HB       CYS  16  -2.006  -1.590  -0.388
  138   2HB   CYS  16          3HB       CYS  16  -3.191  -2.674   0.351
  139    QB   CYS  16           QB       CYS  16  -2.599  -2.132  -0.018
  140    H    GLU  17           HN       GLU  17  -5.263  -2.898   0.105
  141    HA   GLU  17           HA       GLU  17  -6.460  -5.055  -1.517
  142   1HB   GLU  17          2HB       GLU  17  -5.892  -4.610   1.414
  143   2HB   GLU  17          3HB       GLU  17  -7.457  -5.345   1.058
  144   1HG   GLU  17          2HG       GLU  17  -4.927  -6.406  -0.192
  145   2HG   GLU  17          3HG       GLU  17  -5.498  -6.959   1.390
  146    QB   GLU  17           QB       GLU  17  -6.674  -4.978   1.236
  147    QG   GLU  17           QG       GLU  17  -5.212  -6.682   0.599
  148    H    ASP  18           HN       GLY  18  -8.441  -4.724  -2.299
  149   1HA   ASP  18          1HA       GLY  18 -10.408  -3.610  -2.821
  150   2HA   ASP  18          2HA       GLY  18 -10.665  -3.765  -1.074
  151    QA   ASP  18           QA       GLY  18 -10.536  -3.687  -1.948
  152    H    SER  19           HN       SER  19 -11.397  -1.854  -0.311
  153    HA   SER  19           HA       SER  19 -10.355   0.717  -1.366
  154   1HB   SER  19          2HB       SER  19 -12.817   0.376  -1.269
  155   2HB   SER  19          3HB       SER  19 -12.660   0.124   0.489
  156    HG   SER  19           HG       SER  19 -11.616   2.284   0.434
  157    QB   SER  19           QB       SER  19 -12.738   0.250  -0.390
  158    H    ASN  20           HN       ASN  20  -9.098  -1.376   0.717
  159    HA   ASN  20           HA       ASN  20  -8.960   0.268   3.134
  160   1HB   ASN  20          2HB       ASN  20  -7.462  -2.249   2.509
  161   2HB   ASN  20          3HB       ASN  20  -7.748  -1.535   4.082
  162   1HD2  ASN  20          2HD2      ASN  20 -10.735  -3.308   4.613
  163   2HD2  ASN  20          1HD2      ASN  20  -9.403  -2.372   5.266
  164    QB   ASN  20           QB       ASN  20  -7.605  -1.892   3.295
  165    QD2  ASN  20           QD2      ASN  20 -10.069  -2.840   4.940
  166    H    VAL  21           HN       VAL  21  -7.601   1.878   3.180
  167    HA   VAL  21           HA       VAL  21  -5.403   2.152   1.310
  168    HB   VAL  21           HB       VAL  21  -6.790   4.090   2.021
  169   1HG1  VAL  21          1HG1      VAL  21  -6.889   3.600   4.488
  170   2HG1  VAL  21          2HG1      VAL  21  -5.182   4.087   4.601
  171   3HG1  VAL  21          3HG1      VAL  21  -6.402   5.252   4.071
  172   1HG2  VAL  21          2HG2      VAL  21  -3.773   4.270   2.476
  173   2HG2  VAL  21          3HG2      VAL  21  -4.621   4.388   0.918
  174   3HG2  VAL  21          1HG2      VAL  21  -4.864   5.619   2.165
  175    QG1  VAL  21           QG1      VAL  21  -6.158   4.313   4.387
  176    QG2  VAL  21           QG2      VAL  21  -4.420   4.759   1.853
  177    QQG  VAL  21           QQG      VAL  21  -5.289   4.536   3.120
  178    H    CYS  22           HN       CYS  22  -3.362   1.554   1.511
  179    HA   CYS  22           HA       CYS  22  -2.517   0.371   4.108
  180   1HB   CYS  22          2HB       CYS  22  -2.472  -0.775   1.799
  181   2HB   CYS  22          3HB       CYS  22  -1.083   0.214   1.430
  182    QB   CYS  22           QB       CYS  22  -1.778  -0.280   1.615
  183    H    GLY  23           HN       GLY  23  -2.385   2.669   4.942
  184   1HA   GLY  23          1HA       GLY  23  -0.649   4.591   3.772
  185   2HA   GLY  23          2HA       GLY  23  -1.301   4.628   5.408
  186    QA   GLY  23           QA       GLY  23  -0.975   4.609   4.590
  187    H    GLN  24           HN       GLN  24   0.999   5.772   5.416
  188    HA   GLN  24           HA       GLN  24   3.320   4.307   5.823
  189   1HB   GLN  24          2HB       GLN  24   3.885   6.044   7.528
  190   2HB   GLN  24          3HB       GLN  24   3.521   6.646   5.910
  191   1HG   GLN  24          2HG       GLN  24   1.500   7.589   6.499
  192   2HG   GLN  24          3HG       GLN  24   1.220   6.487   7.858
  193   1HE2  GLN  24          2HE2      GLN  24   2.091   9.940   9.111
  194   2HE2  GLN  24          1HE2      GLN  24   0.970   9.418   7.864
  195    QB   GLN  24           QB       GLN  24   3.703   6.345   6.719
  196    QG   GLN  24           QG       GLN  24   1.360   7.038   7.178
  197    QE2  GLN  24           QE2      GLN  24   1.530   9.679   8.487
  198    H    GLY  25           HN       GLY  25   4.266   3.281   7.592
  199   1HA   GLY  25          1HA       GLY  25   4.283   1.961   9.500
  200   2HA   GLY  25          2HA       GLY  25   2.607   2.385   9.867
  201    QA   GLY  25           QA       GLY  25   3.445   2.173   9.684
  202    H    ASN  26           HN       ASN  26   2.396   1.673   6.644
  203    HA   ASN  26           HA       ASN  26   2.230  -1.265   6.959
  204   1HB   ASN  26          2HB       ASN  26   0.177   0.406   5.470
  205   2HB   ASN  26          3HB       ASN  26   0.143  -1.298   5.896
  206   1HD2  ASN  26          2HD2      ASN  26  -1.821  -0.634   8.712
  207   2HD2  ASN  26          1HD2      ASN  26  -1.411  -1.723   7.396
  208    QB   ASN  26           QB       ASN  26   0.160  -0.446   5.683
  209    QD2  ASN  26           QD2      ASN  26  -1.616  -1.179   8.054
  210    H    LYS  27           HN       LYS  27   2.078  -2.324   4.846
  211    HA   LYS  27           HA       LYS  27   3.586  -1.072   2.623
  212   1HB   LYS  27          2HB       LYS  27   4.471  -3.194   4.505
  213   2HB   LYS  27          3HB       LYS  27   4.520  -3.729   2.808
  214   1HG   LYS  27          2HG       LYS  27   5.919  -2.047   2.129
  215   2HG   LYS  27          3HG       LYS  27   5.622  -1.094   3.587
  216   1HD   LYS  27          2HD       LYS  27   7.903  -2.369   3.176
  217   2HD   LYS  27          3HD       LYS  27   7.295  -2.042   4.780
  218   1HE   LYS  27          2HE       LYS  27   6.565  -4.655   3.403
  219   2HE   LYS  27          3HE       LYS  27   8.175  -4.445   4.108
  220   1HZ   LYS  27          3HZ       LYS  27   5.769  -4.080   5.753
  221   2HZ   LYS  27          1HZ       LYS  27   6.563  -5.490   5.571
  222   3HZ   LYS  27          2HZ       LYS  27   7.327  -4.191   6.207
  223    QB   LYS  27           QB       LYS  27   4.496  -3.461   3.656
  224    QG   LYS  27           QG       LYS  27   5.770  -1.570   2.858
  225    QD   LYS  27           QD       LYS  27   7.599  -2.206   3.978
  226    QE   LYS  27           QE       LYS  27   7.370  -4.550   3.755
  227    QZ   LYS  27           QZ       LYS  27   6.553  -4.587   5.844
  228    H    CYS  28           HN       CYS  28   2.851  -1.777   0.656
  229    HA   CYS  28           HA       CYS  28   0.551  -3.634   0.600
  230   1HB   CYS  28          2HB       CYS  28   0.334  -1.422  -0.507
  231   2HB   CYS  28          3HB       CYS  28   1.741  -1.782  -1.517
  232    QB   CYS  28           QB       CYS  28   1.037  -1.602  -1.012
  233    H    ILE  29           HN       ILE  29   0.724  -5.589  -0.479
  234    HA   ILE  29           HA       ILE  29   3.167  -6.231  -2.081
  235    HB   ILE  29           HB       ILE  29   1.418  -7.979  -0.325
  236   1HG1  ILE  29          2HG1      ILE  29   2.842  -6.555   1.065
  237   2HG1  ILE  29          3HG1      ILE  29   3.272  -8.251   1.203
  238   1HG2  ILE  29          1HG2      ILE  29   2.586  -8.990  -2.446
  239   2HG2  ILE  29          2HG2      ILE  29   4.013  -9.029  -1.412
  240   3HG2  ILE  29          3HG2      ILE  29   2.533  -9.867  -0.914
  241   1HD1  ILE  29          1HD1      ILE  29   4.843  -6.475  -0.700
  242   2HD1  ILE  29          2HD1      ILE  29   5.153  -6.463   1.039
  243   3HD1  ILE  29          3HD1      ILE  29   5.334  -7.967   0.125
  244    QG1  ILE  29           QG1      ILE  29   3.057  -7.403   1.134
  245    QG2  ILE  29           QG2      ILE  29   3.044  -9.296  -1.591
  246    QD1  ILE  29           QD1      ILE  29   5.110  -6.968   0.155
  247    H    LEU  30           HN       LEU  30   2.600  -6.331  -4.190
  248    HA   LEU  30           HA       LEU  30  -0.200  -6.519  -5.027
  249   1HB   LEU  30          2HB       LEU  30   2.350  -5.576  -6.103
  250   2HB   LEU  30          3HB       LEU  30   1.681  -6.701  -7.248
  251    HG   LEU  30           HG       LEU  30   1.100  -4.483  -7.801
  252   1HD1  LEU  30          3HD1      LEU  30  -0.505  -6.401  -8.246
  253   2HD1  LEU  30          1HD1      LEU  30  -1.468  -5.827  -6.870
  254   3HD1  LEU  30          2HD1      LEU  30  -1.214  -4.775  -8.276
  255   1HD2  LEU  30          1HD2      LEU  30   1.049  -3.678  -5.345
  256   2HD2  LEU  30          2HD2      LEU  30  -0.095  -2.950  -6.491
  257   3HD2  LEU  30          3HD2      LEU  30  -0.645  -4.186  -5.337
  258    QB   LEU  30           QB       LEU  30   2.016  -6.138  -6.676
  259    QD1  LEU  30           QD1      LEU  30  -1.063  -5.668  -7.797
  260    QD2  LEU  30           QD2      LEU  30   0.103  -3.605  -5.724
  261    QQD  LEU  30           QQD      LEU  30  -0.480  -4.636  -6.761
  262    H    GLY  31           HN       GLY  31  -0.174  -8.617  -3.719
  263   1HA   GLY  31          1HA       GLY  31  -0.600 -10.940  -3.924
  264   2HA   GLY  31          2HA       GLY  31  -0.358 -10.736  -5.675
  265    QA   GLY  31           QA       GLY  31  -0.479 -10.838  -4.799
  266    H    SER  32           HN       SER  32   0.516 -12.929  -5.219
  267    HA   SER  32           HA       SER  32   3.437 -12.719  -5.280
  268   1HB   SER  32          2HB       SER  32   2.671 -13.369  -2.858
  269   2HB   SER  32          3HB       SER  32   2.264 -14.939  -3.559
  270    HG   SER  32           HG       SER  32   4.790 -13.620  -3.753
  271    QB   SER  32           QB       SER  32   2.468 -14.154  -3.208
  272    H    ASN  33           HN       ASP  33   2.667 -12.791  -7.452
  273    HA   ASN  33           HA       ASP  33   1.969 -13.688  -9.428
  274   1HB   ASN  33          2HB       ASP  33   3.726 -15.861  -8.224
  275   2HB   ASN  33          3HB       ASP  33   3.342 -15.697  -9.939
  276    QB   ASN  33           QB       ASP  33   3.534 -15.779  -9.082
  277    H    GLY  34           HN       GLY  34  -0.083 -14.191  -7.375
  278   1HA   GLY  34          1HA       GLY  34  -1.781 -16.105  -8.561
  279   2HA   GLY  34          2HA       GLY  34  -0.834 -16.937  -7.310
  280    QA   GLY  34           QA       GLY  34  -1.307 -16.521  -7.936
  281    H    GLU  35           HN       GLU  35  -0.680 -15.375  -5.144
  282    HA   GLU  35           HA       GLU  35  -3.342 -14.837  -4.217
  283   1HB   GLU  35          2HB       GLU  35  -0.568 -14.104  -3.234
  284   2HB   GLU  35          3HB       GLU  35  -2.008 -13.510  -2.419
  285   1HG   GLU  35          2HG       GLU  35  -2.515 -15.506  -1.493
  286   2HG   GLU  35          3HG       GLU  35  -2.232 -16.401  -2.991
  287    QB   GLU  35           QB       GLU  35  -1.288 -13.807  -2.827
  288    QG   GLU  35           QG       GLU  35  -2.373 -15.953  -2.242
  289    H    LYS  36           HN       LYS  36  -4.163 -12.842  -3.537
  290    HA   LYS  36           HA       LYS  36  -4.097 -10.764  -5.643
  291   1HB   LYS  36          2HB       LYS  36  -5.847 -11.218  -3.194
  292   2HB   LYS  36          3HB       LYS  36  -6.149  -9.969  -4.382
  293   1HG   LYS  36          2HG       LYS  36  -6.150 -12.977  -4.939
  294   2HG   LYS  36          3HG       LYS  36  -7.584 -12.052  -4.555
  295   1HD   LYS  36          2HD       LYS  36  -5.841 -11.560  -7.037
  296   2HD   LYS  36          3HD       LYS  36  -7.246 -12.606  -6.957
  297   1HE   LYS  36          2HE       LYS  36  -8.186 -10.674  -7.828
  298   2HE   LYS  36          3HE       LYS  36  -8.617 -10.608  -6.119
  299   1HZ   LYS  36          1HZ       LYS  36  -6.273  -9.256  -6.253
  300   2HZ   LYS  36          2HZ       LYS  36  -6.997  -8.841  -7.667
  301   3HZ   LYS  36          3HZ       LYS  36  -7.767  -8.575  -6.240
  302    QB   LYS  36           QB       LYS  36  -5.998 -10.593  -3.788
  303    QG   LYS  36           QG       LYS  36  -6.867 -12.515  -4.747
  304    QD   LYS  36           QD       LYS  36  -6.543 -12.083  -6.997
  305    QE   LYS  36           QE       LYS  36  -8.401 -10.641  -6.974
  306    QZ   LYS  36           QZ       LYS  36  -7.012  -8.891  -6.720
  307    H    ASN  37           HN       ASN  37  -4.357  -8.443  -4.639
  308    HA   ASN  37           HA       ASN  37  -2.109  -7.560  -3.431
  309   1HB   ASN  37          2HB       ASN  37  -4.915  -6.440  -3.065
  310   2HB   ASN  37          3HB       ASN  37  -3.388  -5.603  -2.737
  311   1HD2  ASN  37          2HD2      ASN  37  -3.417  -4.304  -6.014
  312   2HD2  ASN  37          1HD2      ASN  37  -3.549  -3.994  -4.287
  313    QB   ASN  37           QB       ASN  37  -4.151  -6.022  -2.901
  314    QD2  ASN  37           QD2      ASN  37  -3.483  -4.149  -5.151
  315    H    GLN  38           HN       GLN  38  -1.349  -7.196  -1.289
  316    HA   GLN  38           HA       GLN  38  -3.127  -7.913   0.992
  317   1HB   GLN  38          2HB       GLN  38  -0.267  -8.923   0.904
  318   2HB   GLN  38          3HB       GLN  38  -1.587  -9.366   1.979
  319   1HG   GLN  38          2HG       GLN  38  -2.731 -10.320  -0.185
  320   2HG   GLN  38          3HG       GLN  38  -1.128 -10.127  -0.924
  321   1HE2  GLN  38          2HE2      GLN  38  -1.942 -13.221   1.601
  322   2HE2  GLN  38          1HE2      GLN  38  -3.100 -11.916   1.382
  323    QB   GLN  38           QB       GLN  38  -0.927  -9.144   1.442
  324    QG   GLN  38           QG       GLN  38  -1.929 -10.223  -0.555
  325    QE2  GLN  38           QE2      GLN  38  -2.521 -12.568   1.491
  326    H    CYS  39           HN       CYS  39  -2.976  -6.333   2.559
  327    HA   CYS  39           HA       CYS  39  -0.728  -4.383   2.422
  328   1HB   CYS  39          2HB       CYS  39  -2.987  -3.436   2.446
  329   2HB   CYS  39          3HB       CYS  39  -3.355  -4.315   3.932
  330    QB   CYS  39           QB       CYS  39  -3.171  -3.876   3.189
  331    H    VAL  40           HN       VAL  40   1.028  -5.094   3.645
  332    HA   VAL  40           HA       VAL  40   0.548  -6.570   6.194
  333    HB   VAL  40           HB       VAL  40   2.764  -7.365   6.041
  334   1HG1  VAL  40          3HG1      VAL  40   1.126  -8.514   4.529
  335   2HG1  VAL  40          1HG1      VAL  40   1.710  -7.508   3.184
  336   3HG1  VAL  40          2HG1      VAL  40   2.811  -8.638   3.985
  337   1HG2  VAL  40          2HG2      VAL  40   3.239  -5.555   3.635
  338   2HG2  VAL  40          3HG2      VAL  40   3.951  -5.366   5.247
  339   3HG2  VAL  40          1HG2      VAL  40   4.372  -6.763   4.266
  340    QG1  VAL  40           QG1      VAL  40   1.882  -8.220   3.899
  341    QG2  VAL  40           QG2      VAL  40   3.854  -5.894   4.383
  342    QQG  VAL  40           QQG      VAL  40   2.868  -7.057   4.141
  343    H    THR  41           HN       THR  41   2.259  -5.910   7.961
  344    HA   THR  41           HA       THR  41   2.063  -3.088   8.363
  345    HB   THR  41           HB       THR  41   3.749  -4.701  10.203
  346    HG1  THR  41          1HG       THR  41   1.784  -5.848  10.885
  347   1HG2  THR  41          1HG2      THR  41   1.093  -3.205  10.454
  348   2HG2  THR  41          2HG2      THR  41   2.030  -3.848  11.818
  349   3HG2  THR  41          3HG2      THR  41   2.700  -2.537  10.825
  350    QG2  THR  41           QG2      THR  41   1.941  -3.196  11.032
  351    H    GLY  42           HN       GLY  42   4.005  -1.749   9.092
  352   1HA   GLY  42          1HA       GLY  42   6.378  -1.316   9.078
  353   2HA   GLY  42          2HA       GLY  42   6.616  -2.547   7.836
  354    QA   GLY  42           QA       GLY  42   6.497  -1.932   8.457
  355    H    GLU  43           HN       GLU  43   6.632   0.730   8.210
  356    HA   GLU  43           HA       GLU  43   5.101   1.833   6.183
  357   1HB   GLU  43          2HB       GLU  43   6.717   3.699   6.312
  358   2HB   GLU  43          3HB       GLU  43   6.257   3.082   7.899
  359   1HG   GLU  43          2HG       GLU  43   8.492   1.625   7.651
  360   2HG   GLU  43          3HG       GLU  43   8.898   2.875   6.475
  361    QB   GLU  43           QB       GLU  43   6.487   3.391   7.105
  362    QG   GLU  43           QG       GLU  43   8.695   2.250   7.063
  363    H    GLY  44           HN       GLY  44   5.022   1.496   4.053
  364   1HA   GLY  44          1HA       GLY  44   7.346   0.480   2.515
  365   2HA   GLY  44          2HA       GLY  44   5.673   0.655   1.981
  366    QA   GLY  44           QA       GLY  44   6.509   0.567   2.248
  367    H    THR  45           HN       THR  45   6.920   1.448   0.080
  368    HA   THR  45           HA       THR  45   7.944   4.208   0.174
  369    HB   THR  45           HB       THR  45   7.498   2.206  -2.073
  370    HG1  THR  45          1HG       THR  45   9.133   1.940  -0.318
  371   1HG2  THR  45          2HG2      THR  45   8.943   4.888  -2.142
  372   2HG2  THR  45          3HG2      THR  45   9.010   3.639  -3.403
  373   3HG2  THR  45          1HG2      THR  45   7.478   4.455  -3.060
  374    QG2  THR  45           QG2      THR  45   8.477   4.327  -2.868
  375    HA   PRO  46           HA       PRO  46   3.703   5.542  -0.709
  376   1HB   PRO  46          2HB       PRO  46   4.053   8.273  -0.791
  377   2HB   PRO  46          3HB       PRO  46   3.838   7.286   0.677
  378   1HG   PRO  46          2HG       PRO  46   6.373   8.408  -0.459
  379   2HG   PRO  46          3HG       PRO  46   5.908   8.192   1.253
  380   1HD   PRO  46          2HD       PRO  46   7.603   6.491  -0.165
  381   2HD   PRO  46          3HD       PRO  46   6.652   5.985   1.264
  382    QB   PRO  46           QB       PRO  46   3.946   7.780  -0.057
  383    QG   PRO  46           QG       PRO  46   6.140   8.300   0.397
  384    QD   PRO  46           QD       PRO  46   7.127   6.238   0.550
  385    H    LYS  47           HN       LYS  47   2.700   5.535  -2.687
  386    HA   LYS  47           HA       LYS  47   3.858   5.520  -5.072
  387   1HB   LYS  47          2HB       LYS  47   1.512   5.003  -4.785
  388   2HB   LYS  47          3HB       LYS  47   1.098   6.698  -4.551
  389   1HG   LYS  47          2HG       LYS  47   1.457   7.250  -6.782
  390   2HG   LYS  47          3HG       LYS  47   2.625   5.946  -7.040
  391   1HD   LYS  47          2HD       LYS  47   0.845   4.249  -6.968
  392   2HD   LYS  47          3HD       LYS  47  -0.388   5.499  -6.804
  393   1HE   LYS  47          2HE       LYS  47   1.655   5.346  -9.097
  394   2HE   LYS  47          3HE       LYS  47   0.065   4.587  -9.175
  395   1HZ   LYS  47          1HZ       LYS  47   0.419   7.469  -8.718
  396   2HZ   LYS  47          2HZ       LYS  47   0.219   6.797 -10.205
  397   3HZ   LYS  47          3HZ       LYS  47  -0.973   6.661  -9.082
  398    QB   LYS  47           QB       LYS  47   1.305   5.850  -4.668
  399    QG   LYS  47           QG       LYS  47   2.041   6.598  -6.911
  400    QD   LYS  47           QD       LYS  47   0.228   4.874  -6.886
  401    QE   LYS  47           QE       LYS  47   0.860   4.967  -9.136
  402    QZ   LYS  47           QZ       LYS  47  -0.112   6.975  -9.335
  403    HA   PRO  48           HA       PRO  48   5.474   9.698  -5.315
  404   1HB   PRO  48          2HB       PRO  48   7.080   9.426  -7.538
  405   2HB   PRO  48          3HB       PRO  48   7.503   8.854  -5.901
  406   1HG   PRO  48          2HG       PRO  48   6.453   7.249  -8.220
  407   2HG   PRO  48          3HG       PRO  48   7.702   6.799  -7.024
  408   1HD   PRO  48          2HD       PRO  48   5.067   5.981  -6.921
  409   2HD   PRO  48          3HD       PRO  48   6.100   6.134  -5.472
  410    QB   PRO  48           QB       PRO  48   7.292   9.140  -6.720
  411    QG   PRO  48           QG       PRO  48   7.078   7.024  -7.622
  412    QD   PRO  48           QD       PRO  48   5.583   6.058  -6.196
  413    H    GLN  49           HN       GLN  49   4.040  11.237  -5.948
  414    HA   GLN  49           HA       GLN  49   2.495  11.010  -8.407
  415   1HB   GLN  49          2HB       GLN  49   1.475  11.879  -6.413
  416   2HB   GLN  49          3HB       GLN  49   2.673  13.171  -6.272
  417   1HG   GLN  49          2HG       GLN  49   1.767  14.439  -7.927
  418   2HG   GLN  49          3HG       GLN  49   1.303  13.051  -8.919
  419   1HE2  GLN  49          2HE2      GLN  49  -1.746  14.833  -7.449
  420   2HE2  GLN  49          1HE2      GLN  49  -0.262  15.531  -8.074
  421    QB   GLN  49           QB       GLN  49   2.074  12.525  -6.343
  422    QG   GLN  49           QG       GLN  49   1.535  13.745  -8.423
  423    QE2  GLN  49           QE2      GLN  49  -1.004  15.182  -7.761
  424    H    SER  50           HN       SER  50   3.239  11.663 -10.317
  425    HA   SER  50           HA       SER  50   5.526  13.540 -10.596
  426   1HB   SER  50          2HB       SER  50   3.977  11.792 -12.555
  427   2HB   SER  50          3HB       SER  50   5.250  12.917 -13.043
  428    HG   SER  50           HG       SER  50   5.735  11.077 -10.963
  429    QB   SER  50           QB       SER  50   4.614  12.355 -12.799
  430    H    HIS  51           HN       HIS  51   5.102  15.076 -12.584
  431    HA   HIS  51           HA       HIS  51   3.088  16.946 -11.814
  432   1HB   HIS  51          2HB       HIS  51   4.086  18.351 -13.282
  433   2HB   HIS  51          3HB       HIS  51   5.426  17.243 -13.068
  434    HD1  HIS  51           HD1      HIS  51   2.406  17.534 -15.454
  435    HD2  HIS  51           HD2      HIS  51   6.449  16.425 -15.426
  436    HE1  HIS  51           HE1      HIS  51   3.068  17.159 -17.902
  437    QB   HIS  51           QB       HIS  51   4.756  17.797 -13.175
   
  Start of MODEL           3
 Raw file had 437 H/Q atoms
  Start of MODEL    3
    1    H    VAL   1           HN       VAL   1 -10.498  10.306   2.218
    2    HA   VAL   1           HA       VAL   1 -10.745  12.132   0.214
    3    HB   VAL   1           HB       VAL   1  -8.687  13.196   1.125
    4   1HG1  VAL   1          3HG1      VAL   1  -7.507  11.119   1.909
    5   2HG1  VAL   1          1HG1      VAL   1  -7.212  10.690   0.210
    6   3HG1  VAL   1          2HG1      VAL   1  -6.499  12.157   0.898
    7   1HG2  VAL   1          2HG2      VAL   1  -9.315  13.220  -1.380
    8   2HG2  VAL   1          3HG2      VAL   1  -7.669  13.677  -0.919
    9   3HG2  VAL   1          1HG2      VAL   1  -7.976  12.071  -1.595
   10    QG1  VAL   1           QG1      VAL   1  -7.073  11.322   1.006
   11    QG2  VAL   1           QG2      VAL   1  -8.320  12.989  -1.298
   12    QQG  VAL   1           QQG      VAL   1  -7.696  12.156  -0.146
   13    H    VAL   2           HN       VAL   2 -10.021  11.046  -1.957
   14    HA   VAL   2           HA       VAL   2 -10.204   8.089  -1.619
   15    HB   VAL   2           HB       VAL   2 -10.985   9.900  -3.937
   16   1HG1  VAL   2          3HG1      VAL   2 -10.164   7.666  -4.708
   17   2HG1  VAL   2          1HG1      VAL   2 -11.324   6.881  -3.614
   18   3HG1  VAL   2          2HG1      VAL   2 -11.896   7.875  -4.969
   19   1HG2  VAL   2          1HG2      VAL   2 -12.632   8.313  -1.911
   20   2HG2  VAL   2          2HG2      VAL   2 -12.608  10.077  -2.110
   21   3HG2  VAL   2          3HG2      VAL   2 -13.295   9.055  -3.379
   22    QG1  VAL   2           QG1      VAL   2 -11.128   7.474  -4.431
   23    QG2  VAL   2           QG2      VAL   2 -12.845   9.148  -2.466
   24    QQG  VAL   2           QQG      VAL   2 -11.986   8.311  -3.448
   25    OH   TYR   3           OH       TYR   3  -6.601   8.915   3.262
   26    H    TYR   3           HN       TYR   3  -8.403   7.015  -2.073
   27    HA   TYR   3           HA       TYR   3  -6.079   8.371  -3.331
   28   1HB   TYR   3          2HB       TYR   3  -6.091   5.705  -1.912
   29   2HB   TYR   3          3HB       TYR   3  -4.737   6.779  -2.195
   30    HD1  TYR   3           HD1      TYR   3  -7.731   6.111  -0.117
   31    HD2  TYR   3           HD2      TYR   3  -4.351   8.728  -0.689
   32    HE1  TYR   3           HE1      TYR   3  -8.082   7.035   2.131
   33    HE2  TYR   3           HE2      TYR   3  -4.702   9.649   1.592
   34    HH   TYR   3           HH       TYR   3  -7.213   8.397   3.790
   35    QB   TYR   3           QB       TYR   3  -5.414   6.242  -2.053
   36    QR   TYR   3           QR       TYR   3  -6.217   7.881   0.729
   37    H    THR   4           HN       THR   4  -4.684   6.302  -4.429
   38    HA   THR   4           HA       THR   4  -6.498   5.026  -6.436
   39    HB   THR   4           HB       THR   4  -4.446   5.282  -7.900
   40    HG1  THR   4          1HG       THR   4  -2.927   6.837  -7.145
   41   1HG2  THR   4          2HG2      THR   4  -5.983   7.696  -6.835
   42   2HG2  THR   4          3HG2      THR   4  -4.718   7.904  -8.049
   43   3HG2  THR   4          1HG2      THR   4  -6.122   6.879  -8.398
   44    QG2  THR   4           QG2      THR   4  -5.607   7.493  -7.761
   45    H    ASP   5           HN       ASP   5  -5.523   3.011  -7.376
   46    HA   ASP   5           HA       ASP   5  -4.745   1.175  -5.365
   47   1HB   ASP   5          2HB       ASP   5  -4.870   1.025  -8.403
   48   2HB   ASP   5          3HB       ASP   5  -4.386  -0.348  -7.405
   49    QB   ASP   5           QB       ASP   5  -4.628   0.339  -7.904
   50    H    CYS   6           HN       CYS   6  -2.810  -0.348  -5.513
   51    HA   CYS   6           HA       CYS   6  -0.448   1.429  -5.613
   52   1HB   CYS   6          2HB       CYS   6  -0.666  -1.432  -4.641
   53   2HB   CYS   6          3HB       CYS   6   0.830  -0.509  -4.761
   54    QB   CYS   6           QB       CYS   6   0.082  -0.971  -4.701
   55    H    THR   7           HN       THR   7   1.335   1.220  -6.910
   56    HA   THR   7           HA       THR   7   0.925  -0.444  -9.349
   57    HB   THR   7           HB       THR   7   2.216   1.497 -10.402
   58    HG1  THR   7          1HG       THR   7   2.861   2.485  -8.439
   59   1HG2  THR   7          3HG2      THR   7  -0.542   2.022  -9.179
   60   2HG2  THR   7          1HG2      THR   7   0.162   2.886 -10.557
   61   3HG2  THR   7          2HG2      THR   7  -0.226   1.162 -10.699
   62    QG2  THR   7           QG2      THR   7  -0.202   2.023 -10.145
   63    H    GLU   8           HN       GLU   8   2.558  -0.943  -6.685
   64    HA   GLU   8           HA       GLU   8   4.568  -2.554  -7.867
   65   1HB   GLU   8          2HB       GLU   8   6.513  -1.243  -6.751
   66   2HB   GLU   8          3HB       GLU   8   5.924  -0.659  -8.314
   67   1HG   GLU   8          2HG       GLU   8   4.477   0.549  -6.102
   68   2HG   GLU   8          3HG       GLU   8   6.210   0.774  -5.928
   69    QB   GLU   8           QB       GLU   8   6.218  -0.951  -7.533
   70    QG   GLU   8           QG       GLU   8   5.343   0.661  -6.015
   71    H    SER   9           HN       SER   9   5.413  -3.987  -6.285
   72    HA   SER   9           HA       SER   9   4.009  -4.138  -3.800
   73   1HB   SER   9          2HB       SER   9   6.341  -5.653  -5.005
   74   2HB   SER   9          3HB       SER   9   5.897  -5.891  -3.309
   75    HG   SER   9           HG       SER   9   4.801  -7.307  -4.845
   76    QB   SER   9           QB       SER   9   6.119  -5.772  -4.157
   77    H    GLY  10           HN       GLY  10   4.725  -3.831  -1.695
   78   1HA   GLY  10          1HA       GLY  10   6.282  -3.323  -0.002
   79   2HA   GLY  10          2HA       GLY  10   7.490  -2.868  -1.199
   80    QA   GLY  10           QA       GLY  10   6.886  -3.095  -0.601
   81    H    GLN  11           HN       GLN  11   4.617  -1.430  -2.174
   82    HA   GLN  11           HA       GLN  11   5.523   1.186  -1.152
   83   1HB   GLN  11          2HB       GLN  11   5.073   0.422  -3.667
   84   2HB   GLN  11          3HB       GLN  11   3.377   0.739  -3.245
   85   1HG   GLN  11          2HG       GLN  11   3.919   3.063  -2.707
   86   2HG   GLN  11          3HG       GLN  11   5.679   2.697  -2.815
   87   1HE2  GLN  11          2HE2      GLN  11   3.659   2.678  -6.324
   88   2HE2  GLN  11          1HE2      GLN  11   2.740   2.294  -4.846
   89    QB   GLN  11           QB       GLN  11   4.225   0.581  -3.456
   90    QG   GLN  11           QG       GLN  11   4.799   2.880  -2.761
   91    QE2  GLN  11           QE2      GLN  11   3.199   2.486  -5.585
   92    H    ASN  12           HN       ASN  12   3.635   2.785  -0.718
   93    HA   ASN  12           HA       ASN  12   1.202   1.477   0.316
   94   1HB   ASN  12          2HB       ASN  12   1.512   2.100   2.572
   95   2HB   ASN  12          3HB       ASN  12   3.013   1.347   2.071
   96   1HD2  ASN  12          2HD2      ASN  12   4.164   4.158   3.982
   97   2HD2  ASN  12          1HD2      ASN  12   3.336   2.593   4.238
   98    QB   ASN  12           QB       ASN  12   2.263   1.724   2.322
   99    QD2  ASN  12           QD2      ASN  12   3.750   3.375   4.110
  100    H    LEU  13           HN       LEU  13   0.092   3.512   1.702
  101    HA   LEU  13           HA       LEU  13  -1.252   5.287   1.338
  102   1HB   LEU  13          2HB       LEU  13   1.455   6.182   0.682
  103   2HB   LEU  13          3HB       LEU  13   0.281   7.076  -0.268
  104    HG   LEU  13           HG       LEU  13  -0.930   7.682   1.792
  105   1HD1  LEU  13          1HD1      LEU  13   1.319   6.149   3.194
  106   2HD1  LEU  13          2HD1      LEU  13   0.176   7.257   3.997
  107   3HD1  LEU  13          3HD1      LEU  13  -0.407   5.757   3.281
  108   1HD2  LEU  13          2HD2      LEU  13   1.111   8.991   0.887
  109   2HD2  LEU  13          3HD2      LEU  13   0.610   9.311   2.559
  110   3HD2  LEU  13          1HD2      LEU  13   2.011   8.279   2.249
  111    QB   LEU  13           QB       LEU  13   0.868   6.629   0.207
  112    QD1  LEU  13           QD1      LEU  13   0.363   6.388   3.491
  113    QD2  LEU  13           QD2      LEU  13   1.244   8.860   1.898
  114    QQD  LEU  13           QQD      LEU  13   0.803   7.624   2.694
  115    H    CYS  14           HN       CYS  14  -1.564   3.066  -0.262
  116    HA   CYS  14           HA       CYS  14  -3.132   4.227  -2.405
  117   1HB   CYS  14          2HB       CYS  14  -2.117   2.475  -4.019
  118   2HB   CYS  14          3HB       CYS  14  -1.307   4.006  -3.729
  119    QB   CYS  14           QB       CYS  14  -1.712   3.240  -3.874
  120    H    LEU  15           HN       LEU  15  -4.749   2.829  -3.129
  121    HA   LEU  15           HA       LEU  15  -6.042   1.293  -1.038
  122   1HB   LEU  15          2HB       LEU  15  -6.732   1.511  -4.003
  123   2HB   LEU  15          3HB       LEU  15  -7.804   1.025  -2.682
  124    HG   LEU  15           HG       LEU  15  -6.694   3.809  -3.151
  125   1HD1  LEU  15          1HD1      LEU  15  -8.576   3.148  -4.607
  126   2HD1  LEU  15          2HD1      LEU  15  -9.529   2.705  -3.174
  127   3HD1  LEU  15          3HD1      LEU  15  -9.057   4.392  -3.439
  128   1HD2  LEU  15          2HD2      LEU  15  -8.078   2.517  -0.807
  129   2HD2  LEU  15          3HD2      LEU  15  -6.766   3.699  -0.806
  130   3HD2  LEU  15          1HD2      LEU  15  -8.427   4.214  -1.173
  131    QB   LEU  15           QB       LEU  15  -7.268   1.268  -3.343
  132    QD1  LEU  15           QD1      LEU  15  -9.054   3.415  -3.740
  133    QD2  LEU  15           QD2      LEU  15  -7.757   3.477  -0.929
  134    QQD  LEU  15           QQD      LEU  15  -8.406   3.446  -2.335
  135    H    CYS  16           HN       CYS  16  -5.497  -0.652  -0.416
  136    HA   CYS  16           HA       CYS  16  -4.048  -2.388  -2.417
  137   1HB   CYS  16          2HB       CYS  16  -2.773  -1.601  -0.447
  138   2HB   CYS  16          3HB       CYS  16  -3.917  -2.428   0.605
  139    QB   CYS  16           QB       CYS  16  -3.345  -2.014   0.079
  140    H    GLU  17           HN       GLU  17  -5.987  -2.690   0.527
  141    HA   GLU  17           HA       GLU  17  -7.518  -4.975  -0.640
  142   1HB   GLU  17          2HB       GLU  17  -7.048  -4.048   2.220
  143   2HB   GLU  17          3HB       GLU  17  -8.353  -5.145   1.757
  144   1HG   GLU  17          2HG       GLU  17  -6.819  -6.729   2.232
  145   2HG   GLU  17          3HG       GLU  17  -6.343  -6.484   0.550
  146    QB   GLU  17           QB       GLU  17  -7.701  -4.596   1.989
  147    QG   GLU  17           QG       GLU  17  -6.581  -6.606   1.391
  148    H    ASP  18           HN       GLY  18  -8.909  -3.890  -1.986
  149   1HA   ASP  18          1HA       GLY  18 -10.958  -2.932  -2.470
  150   2HA   ASP  18          2HA       GLY  18 -11.303  -2.930  -0.728
  151    QA   ASP  18           QA       GLY  18 -11.131  -2.931  -1.599
  152    H    SER  19           HN       SER  19 -11.996  -0.854  -0.370
  153    HA   SER  19           HA       SER  19 -10.625   1.472  -1.535
  154   1HB   SER  19          2HB       SER  19 -13.154   0.880  -0.034
  155   2HB   SER  19          3HB       SER  19 -12.379   2.376   0.428
  156    HG   SER  19           HG       SER  19 -12.686   3.149  -1.610
  157    QB   SER  19           QB       SER  19 -12.766   1.628   0.197
  158    H    ASN  20           HN       ASN  20  -9.875  -0.527   1.043
  159    HA   ASN  20           HA       ASN  20  -9.133   1.558   2.942
  160   1HB   ASN  20          2HB       ASN  20  -8.130  -1.281   2.990
  161   2HB   ASN  20          3HB       ASN  20  -8.274  -0.125   4.310
  162   1HD2  ASN  20          2HD2      ASN  20 -11.434  -2.504   3.371
  163   2HD2  ASN  20          1HD2      ASN  20  -9.927  -2.546   2.454
  164    QB   ASN  20           QB       ASN  20  -8.202  -0.703   3.650
  165    QD2  ASN  20           QD2      ASN  20 -10.681  -2.525   2.912
  166    H    VAL  21           HN       VAL  21  -7.422   2.813   2.658
  167    HA   VAL  21           HA       VAL  21  -5.330   2.242   0.731
  168    HB   VAL  21           HB       VAL  21  -6.297   4.515   1.303
  169   1HG1  VAL  21          3HG1      VAL  21  -6.091   4.344   3.798
  170   2HG1  VAL  21          1HG1      VAL  21  -4.323   4.440   3.616
  171   3HG1  VAL  21          2HG1      VAL  21  -5.340   5.790   3.103
  172   1HG2  VAL  21          3HG2      VAL  21  -3.306   4.038   1.239
  173   2HG2  VAL  21          1HG2      VAL  21  -4.397   4.344  -0.135
  174   3HG2  VAL  21          2HG2      VAL  21  -4.048   5.635   1.020
  175    QG1  VAL  21           QG1      VAL  21  -5.252   4.858   3.506
  176    QG2  VAL  21           QG2      VAL  21  -3.917   4.672   0.708
  177    QQG  VAL  21           QQG      VAL  21  -4.584   4.765   2.107
  178    H    CYS  22           HN       CYS  22  -3.254   1.484   1.113
  179    HA   CYS  22           HA       CYS  22  -2.781   0.227   3.687
  180   1HB   CYS  22          2HB       CYS  22  -1.996  -0.659   1.488
  181   2HB   CYS  22          3HB       CYS  22  -0.796   0.638   1.426
  182    QB   CYS  22           QB       CYS  22  -1.396  -0.011   1.457
  183    H    GLY  23           HN       GLY  23  -2.749   1.763   5.281
  184   1HA   GLY  23          1HA       GLY  23  -1.670   4.328   5.216
  185   2HA   GLY  23          2HA       GLY  23  -1.923   3.365   6.677
  186    QA   GLY  23           QA       GLY  23  -1.796   3.847   5.947
  187    H    GLN  24           HN       GLN  24   0.150   5.205   6.608
  188    HA   GLN  24           HA       GLN  24   2.653   4.169   5.977
  189   1HB   GLN  24          2HB       GLN  24   1.764   6.054   8.164
  190   2HB   GLN  24          3HB       GLN  24   3.470   5.754   7.789
  191   1HG   GLN  24          2HG       GLN  24   3.414   6.840   5.748
  192   2HG   GLN  24          3HG       GLN  24   1.696   6.529   5.507
  193   1HE2  GLN  24          2HE2      GLN  24   1.355   9.999   6.167
  194   2HE2  GLN  24          1HE2      GLN  24   1.517   8.821   4.876
  195    QB   GLN  24           QB       GLN  24   2.617   5.904   7.976
  196    QG   GLN  24           QG       GLN  24   2.555   6.685   5.627
  197    QE2  GLN  24           QE2      GLN  24   1.436   9.410   5.521
  198    H    GLY  25           HN       GLY  25   4.238   3.089   7.255
  199   1HA   GLY  25          1HA       GLY  25   5.023   1.661   8.923
  200   2HA   GLY  25          2HA       GLY  25   3.509   1.826   9.815
  201    QA   GLY  25           QA       GLY  25   4.266   1.743   9.369
  202    H    ASN  26           HN       ASN  26   3.054   1.177   6.470
  203    HA   ASN  26           HA       ASN  26   2.984  -1.718   6.687
  204   1HB   ASN  26          2HB       ASN  26   0.629  -0.100   5.611
  205   2HB   ASN  26          3HB       ASN  26   0.717  -1.831   5.884
  206   1HD2  ASN  26          2HD2      ASN  26  -0.681  -1.609   9.073
  207   2HD2  ASN  26          1HD2      ASN  26  -0.283  -2.588   7.669
  208    QB   ASN  26           QB       ASN  26   0.673  -0.965   5.747
  209    QD2  ASN  26           QD2      ASN  26  -0.482  -2.098   8.371
  210    H    LYS  27           HN       LYS  27   2.686  -2.681   4.501
  211    HA   LYS  27           HA       LYS  27   3.298  -0.983   2.186
  212   1HB   LYS  27          2HB       LYS  27   4.730  -3.632   2.566
  213   2HB   LYS  27          3HB       LYS  27   5.061  -2.274   1.483
  214   1HG   LYS  27          2HG       LYS  27   5.648  -0.911   3.544
  215   2HG   LYS  27          3HG       LYS  27   5.489  -2.421   4.465
  216   1HD   LYS  27          2HD       LYS  27   7.441  -2.070   2.151
  217   2HD   LYS  27          3HD       LYS  27   7.821  -1.741   3.835
  218   1HE   LYS  27          2HE       LYS  27   6.670  -4.287   4.007
  219   2HE   LYS  27          3HE       LYS  27   7.544  -4.359   2.472
  220   1HZ   LYS  27          3HZ       LYS  27   8.692  -3.535   5.062
  221   2HZ   LYS  27          1HZ       LYS  27   8.865  -5.021   4.381
  222   3HZ   LYS  27          2HZ       LYS  27   9.524  -3.698   3.651
  223    QB   LYS  27           QB       LYS  27   4.896  -2.953   2.025
  224    QG   LYS  27           QG       LYS  27   5.568  -1.666   4.004
  225    QD   LYS  27           QD       LYS  27   7.631  -1.906   2.993
  226    QE   LYS  27           QE       LYS  27   7.107  -4.323   3.240
  227    QZ   LYS  27           QZ       LYS  27   9.027  -4.085   4.365
  228    H    CYS  28           HN       CYS  28   2.292  -1.735   0.361
  229    HA   CYS  28           HA       CYS  28   0.408  -3.993   0.515
  230   1HB   CYS  28          2HB       CYS  28  -0.283  -1.754  -0.335
  231   2HB   CYS  28          3HB       CYS  28   0.899  -1.958  -1.639
  232    QB   CYS  28           QB       CYS  28   0.308  -1.856  -0.987
  233    H    ILE  29           HN       ILE  29   1.194  -5.984  -0.133
  234    HA   ILE  29           HA       ILE  29   3.334  -6.073  -2.223
  235    HB   ILE  29           HB       ILE  29   2.179  -8.124  -0.341
  236   1HG1  ILE  29          2HG1      ILE  29   4.517  -8.352   0.327
  237   2HG1  ILE  29          3HG1      ILE  29   4.973  -7.038  -0.789
  238   1HG2  ILE  29          3HG2      ILE  29   3.675  -8.555  -2.905
  239   2HG2  ILE  29          1HG2      ILE  29   4.065  -9.576  -1.514
  240   3HG2  ILE  29          2HG2      ILE  29   2.411  -9.531  -2.128
  241   1HD1  ILE  29          2HD1      ILE  29   3.015  -6.695   1.501
  242   2HD1  ILE  29          3HD1      ILE  29   4.775  -6.491   1.686
  243   3HD1  ILE  29          1HD1      ILE  29   3.889  -5.418   0.611
  244    QG1  ILE  29           QG1      ILE  29   4.745  -7.695  -0.231
  245    QG2  ILE  29           QG2      ILE  29   3.384  -9.221  -2.182
  246    QD1  ILE  29           QD1      ILE  29   3.893  -6.201   1.266
  247    H    LEU  30           HN       LEU  30   2.700  -6.083  -4.280
  248    HA   LEU  30           HA       LEU  30  -0.015  -6.503  -5.155
  249   1HB   LEU  30          2HB       LEU  30   2.651  -6.108  -6.498
  250   2HB   LEU  30          3HB       LEU  30   1.338  -6.847  -7.409
  251    HG   LEU  30           HG       LEU  30  -0.138  -4.949  -7.008
  252   1HD1  LEU  30          2HD1      LEU  30   2.210  -3.844  -5.439
  253   2HD1  LEU  30          3HD1      LEU  30   0.899  -2.822  -6.064
  254   3HD1  LEU  30          1HD1      LEU  30   0.555  -4.082  -4.869
  255   1HD2  LEU  30          2HD2      LEU  30   1.354  -4.976  -8.984
  256   2HD2  LEU  30          3HD2      LEU  30   1.030  -3.327  -8.423
  257   3HD2  LEU  30          1HD2      LEU  30   2.592  -4.097  -8.061
  258    QB   LEU  30           QB       LEU  30   1.994  -6.477  -6.953
  259    QD1  LEU  30           QD1      LEU  30   1.221  -3.582  -5.457
  260    QD2  LEU  30           QD2      LEU  30   1.659  -4.133  -8.490
  261    QQD  LEU  30           QQD      LEU  30   1.440  -3.858  -6.973
  262    H    GLY  31           HN       GLY  31  -1.003  -8.247  -5.877
  263   1HA   GLY  31          1HA       GLY  31  -0.475 -10.715  -4.814
  264   2HA   GLY  31          2HA       GLY  31  -1.483 -10.441  -6.245
  265    QA   GLY  31           QA       GLY  31  -0.979 -10.578  -5.529
  266    H    SER  32           HN       SER  32   0.629 -12.497  -5.360
  267    HA   SER  32           HA       SER  32   2.553 -12.426  -7.627
  268   1HB   SER  32          2HB       SER  32   3.610 -14.248  -6.164
  269   2HB   SER  32          3HB       SER  32   3.605 -12.593  -5.520
  270    HG   SER  32           HG       SER  32   1.806 -14.682  -4.741
  271    QB   SER  32           QB       SER  32   3.608 -13.420  -5.842
  272    H    ASN  33           HN       ASP  33   0.561 -12.894  -8.904
  273    HA   ASN  33           HA       ASP  33  -0.851 -14.296 -10.041
  274   1HB   ASN  33          2HB       ASP  33   0.335 -16.105 -11.200
  275   2HB   ASN  33          3HB       ASP  33   1.236 -14.589 -11.182
  276    QB   ASN  33           QB       ASP  33   0.786 -15.347 -11.191
  277    H    GLY  34           HN       GLY  34  -1.263 -14.579  -7.242
  278   1HA   GLY  34          1HA       GLY  34  -2.815 -16.985  -7.101
  279   2HA   GLY  34          2HA       GLY  34  -1.286 -17.131  -6.194
  280    QA   GLY  34           QA       GLY  34  -2.051 -17.058  -6.648
  281    H    GLU  35           HN       GLU  35  -0.792 -15.341  -4.598
  282    HA   GLU  35           HA       GLU  35  -2.994 -14.506  -3.023
  283   1HB   GLU  35          2HB       GLU  35  -0.135 -13.448  -3.205
  284   2HB   GLU  35          3HB       GLU  35  -1.311 -13.000  -1.971
  285   1HG   GLU  35          2HG       GLU  35  -0.150 -14.685  -0.900
  286   2HG   GLU  35          3HG       GLU  35  -1.539 -15.574  -1.522
  287    QB   GLU  35           QB       GLU  35  -0.723 -13.224  -2.588
  288    QG   GLU  35           QG       GLU  35  -0.845 -15.130  -1.211
  289    H    LYS  36           HN       LYS  36  -3.612 -12.399  -2.586
  290    HA   LYS  36           HA       LYS  36  -4.185 -10.678  -4.947
  291   1HB   LYS  36          2HB       LYS  36  -5.504 -11.052  -2.220
  292   2HB   LYS  36          3HB       LYS  36  -6.023  -9.861  -3.415
  293   1HG   LYS  36          2HG       LYS  36  -6.918 -11.365  -4.837
  294   2HG   LYS  36          3HG       LYS  36  -5.827 -12.683  -4.454
  295   1HD   LYS  36          2HD       LYS  36  -8.011 -11.707  -2.552
  296   2HD   LYS  36          3HD       LYS  36  -8.266 -12.941  -3.789
  297   1HE   LYS  36          2HE       LYS  36  -7.423 -14.556  -2.500
  298   2HE   LYS  36          3HE       LYS  36  -5.870 -13.726  -2.426
  299   1HZ   LYS  36          3HZ       LYS  36  -8.120 -13.259  -0.592
  300   2HZ   LYS  36          1HZ       LYS  36  -6.758 -14.118  -0.262
  301   3HZ   LYS  36          2HZ       LYS  36  -6.657 -12.499  -0.532
  302    QB   LYS  36           QB       LYS  36  -5.764 -10.457  -2.817
  303    QG   LYS  36           QG       LYS  36  -6.372 -12.024  -4.646
  304    QD   LYS  36           QD       LYS  36  -8.139 -12.324  -3.170
  305    QE   LYS  36           QE       LYS  36  -6.646 -14.141  -2.463
  306    QZ   LYS  36           QZ       LYS  36  -7.178 -13.292  -0.462
  307    H    ASN  37           HN       ASN  37  -4.444  -8.299  -4.130
  308    HA   ASN  37           HA       ASN  37  -1.999  -7.250  -3.164
  309   1HB   ASN  37          2HB       ASN  37  -4.720  -6.240  -3.819
  310   2HB   ASN  37          3HB       ASN  37  -4.027  -5.429  -2.427
  311   1HD2  ASN  37          2HD2      ASN  37  -3.106  -3.447  -5.426
  312   2HD2  ASN  37          1HD2      ASN  37  -4.613  -3.914  -4.658
  313    QB   ASN  37           QB       ASN  37  -4.373  -5.835  -3.123
  314    QD2  ASN  37           QD2      ASN  37  -3.860  -3.681  -5.042
  315    H    GLN  38           HN       GLN  38  -1.133  -7.381  -1.138
  316    HA   GLN  38           HA       GLN  38  -3.006  -7.614   1.201
  317   1HB   GLN  38          2HB       GLN  38  -1.411  -9.075   2.299
  318   2HB   GLN  38          3HB       GLN  38  -2.056  -9.768   0.810
  319   1HG   GLN  38          2HG       GLN  38   0.014  -9.234  -0.398
  320   2HG   GLN  38          3HG       GLN  38   0.667  -8.521   1.097
  321   1HE2  GLN  38          2HE2      GLN  38   2.104 -11.545   2.007
  322   2HE2  GLN  38          1HE2      GLN  38   2.258  -9.805   1.837
  323    QB   GLN  38           QB       GLN  38  -1.734  -9.422   1.555
  324    QG   GLN  38           QG       GLN  38   0.341  -8.878   0.350
  325    QE2  GLN  38           QE2      GLN  38   2.181 -10.675   1.922
  326    H    CYS  39           HN       CYS  39  -2.804  -5.935   2.596
  327    HA   CYS  39           HA       CYS  39  -0.382  -4.244   2.442
  328   1HB   CYS  39          2HB       CYS  39  -2.533  -3.115   2.393
  329   2HB   CYS  39          3HB       CYS  39  -3.018  -3.924   3.887
  330    QB   CYS  39           QB       CYS  39  -2.776  -3.520   3.140
  331    H    VAL  40           HN       VAL  40   1.208  -5.437   3.455
  332    HA   VAL  40           HA       VAL  40   0.723  -6.597   6.162
  333    HB   VAL  40           HB       VAL  40   2.779  -7.731   5.926
  334   1HG1  VAL  40          3HG1      VAL  40   0.898  -8.645   4.544
  335   2HG1  VAL  40          1HG1      VAL  40   1.540  -7.774   3.138
  336   3HG1  VAL  40          2HG1      VAL  40   2.505  -9.043   3.911
  337   1HG2  VAL  40          2HG2      VAL  40   3.390  -5.876   3.603
  338   2HG2  VAL  40          3HG2      VAL  40   4.289  -6.065   5.109
  339   3HG2  VAL  40          1HG2      VAL  40   4.296  -7.372   3.929
  340    QG1  VAL  40           QG1      VAL  40   1.648  -8.487   3.864
  341    QG2  VAL  40           QG2      VAL  40   3.991  -6.438   4.213
  342    QQG  VAL  40           QQG      VAL  40   2.820  -7.462   4.039
  343    H    THR  41           HN       THR  41   2.442  -6.090   7.875
  344    HA   THR  41           HA       THR  41   2.590  -3.292   8.173
  345    HB   THR  41           HB       THR  41   4.216  -5.003   9.971
  346    HG1  THR  41          1HG       THR  41   2.837  -6.550  10.102
  347   1HG2  THR  41          3HG2      THR  41   1.801  -3.151  10.302
  348   2HG2  THR  41          1HG2      THR  41   2.632  -3.959  11.642
  349   3HG2  THR  41          2HG2      THR  41   3.497  -2.763  10.658
  350    QG2  THR  41           QG2      THR  41   2.644  -3.291  10.867
  351    H    GLY  42           HN       GLY  42   4.652  -2.169   8.900
  352   1HA   GLY  42          1HA       GLY  42   7.114  -2.068   8.860
  353   2HA   GLY  42          2HA       GLY  42   7.097  -2.990   7.351
  354    QA   GLY  42           QA       GLY  42   7.106  -2.529   8.106
  355    H    GLU  43           HN       GLU  43   7.769   0.043   8.223
  356    HA   GLU  43           HA       GLU  43   5.943   1.624   6.733
  357   1HB   GLU  43          2HB       GLU  43   7.697   3.363   6.922
  358   2HB   GLU  43          3HB       GLU  43   7.470   2.494   8.441
  359   1HG   GLU  43          2HG       GLU  43   9.494   0.980   7.444
  360   2HG   GLU  43          3HG       GLU  43   9.813   2.475   6.565
  361    QB   GLU  43           QB       GLU  43   7.583   2.928   7.682
  362    QG   GLU  43           QG       GLU  43   9.654   1.728   7.005
  363    H    GLY  44           HN       GLY  44   5.989   2.430   4.613
  364   1HA   GLY  44          1HA       GLY  44   7.926   1.287   2.685
  365   2HA   GLY  44          2HA       GLY  44   6.185   1.037   2.440
  366    QA   GLY  44           QA       GLY  44   7.056   1.162   2.562
  367    H    THR  45           HN       THR  45   7.744   2.411   0.612
  368    HA   THR  45           HA       THR  45   7.623   5.253   0.957
  369    HB   THR  45           HB       THR  45   8.116   3.411  -1.418
  370    HG1  THR  45          1HG       THR  45  10.302   4.363  -0.823
  371   1HG2  THR  45          1HG2      THR  45   7.486   5.660  -2.283
  372   2HG2  THR  45          2HG2      THR  45   8.780   6.380  -1.289
  373   3HG2  THR  45          3HG2      THR  45   9.167   5.237  -2.586
  374    QG2  THR  45           QG2      THR  45   8.478   5.759  -2.053
  375    HA   PRO  46           HA       PRO  46   3.377   5.644  -0.449
  376   1HB   PRO  46          2HB       PRO  46   3.225   8.315  -1.051
  377   2HB   PRO  46          3HB       PRO  46   3.322   7.656   0.609
  378   1HG   PRO  46          2HG       PRO  46   5.562   8.809  -1.038
  379   2HG   PRO  46          3HG       PRO  46   5.177   9.096   0.688
  380   1HD   PRO  46          2HD       PRO  46   7.079   7.315  -0.168
  381   2HD   PRO  46          3HD       PRO  46   6.147   7.070   1.338
  382    QB   PRO  46           QB       PRO  46   3.273   7.986  -0.221
  383    QG   PRO  46           QG       PRO  46   5.370   8.952  -0.175
  384    QD   PRO  46           QD       PRO  46   6.613   7.193   0.585
  385    H    LYS  47           HN       LYS  47   2.162   5.717  -2.369
  386    HA   LYS  47           HA       LYS  47   3.424   5.055  -4.710
  387   1HB   LYS  47          2HB       LYS  47   0.941   4.894  -3.975
  388   2HB   LYS  47          3HB       LYS  47   0.745   6.390  -4.881
  389   1HG   LYS  47          2HG       LYS  47   2.312   4.527  -6.495
  390   2HG   LYS  47          3HG       LYS  47   0.997   3.635  -5.757
  391   1HD   LYS  47          2HD       LYS  47  -0.061   4.260  -7.647
  392   2HD   LYS  47          3HD       LYS  47  -0.471   5.656  -6.652
  393   1HE   LYS  47          2HE       LYS  47   0.263   6.393  -8.875
  394   2HE   LYS  47          3HE       LYS  47   1.428   6.925  -7.658
  395   1HZ   LYS  47          3HZ       LYS  47   1.870   4.403  -9.120
  396   2HZ   LYS  47          1HZ       LYS  47   2.290   5.885  -9.800
  397   3HZ   LYS  47          2HZ       LYS  47   2.958   5.418  -8.409
  398    QB   LYS  47           QB       LYS  47   0.843   5.642  -4.428
  399    QG   LYS  47           QG       LYS  47   1.655   4.081  -6.126
  400    QD   LYS  47           QD       LYS  47  -0.266   4.958  -7.149
  401    QE   LYS  47           QE       LYS  47   0.845   6.659  -8.267
  402    QZ   LYS  47           QZ       LYS  47   2.373   5.235  -9.110
  403    HA   PRO  48           HA       PRO  48   4.823   9.196  -5.871
  404   1HB   PRO  48          2HB       PRO  48   6.525   8.500  -7.926
  405   2HB   PRO  48          3HB       PRO  48   6.951   8.413  -6.195
  406   1HG   PRO  48          2HG       PRO  48   6.211   6.173  -8.044
  407   2HG   PRO  48          3HG       PRO  48   7.339   6.169  -6.661
  408   1HD   PRO  48          2HD       PRO  48   4.701   5.224  -6.656
  409   2HD   PRO  48          3HD       PRO  48   5.660   5.638  -5.203
  410    QB   PRO  48           QB       PRO  48   6.738   8.456  -7.061
  411    QG   PRO  48           QG       PRO  48   6.775   6.171  -7.352
  412    QD   PRO  48           QD       PRO  48   5.181   5.431  -5.930
  413    H    GLN  49           HN       GLN  49   3.571  10.491  -7.159
  414    HA   GLN  49           HA       GLN  49   1.546   9.657  -8.824
  415   1HB   GLN  49          2HB       GLN  49   1.283  11.905  -9.359
  416   2HB   GLN  49          3HB       GLN  49   2.063  11.968  -7.786
  417   1HG   GLN  49          2HG       GLN  49   4.275  12.316  -8.994
  418   2HG   GLN  49          3HG       GLN  49   3.380  12.418 -10.518
  419   1HE2  GLN  49          2HE2      GLN  49   3.300  15.582  -7.924
  420   2HE2  GLN  49          1HE2      GLN  49   3.949  14.045  -7.381
  421    QB   GLN  49           QB       GLN  49   1.673  11.937  -8.572
  422    QG   GLN  49           QG       GLN  49   3.828  12.367  -9.756
  423    QE2  GLN  49           QE2      GLN  49   3.624  14.814  -7.653
  424    H    SER  50           HN       SER  50   1.302   9.937 -11.228
  425    HA   SER  50           HA       SER  50   3.777   9.601 -12.794
  426   1HB   SER  50          2HB       SER  50   1.708   7.369 -12.719
  427   2HB   SER  50          3HB       SER  50   3.248   7.409 -13.592
  428    HG   SER  50           HG       SER  50   4.043   7.791 -11.223
  429    QB   SER  50           QB       SER  50   2.478   7.389 -13.156
  430    H    HIS  51           HN       HIS  51   2.600  11.710 -13.179
  431    HA   HIS  51           HA       HIS  51   1.762  13.036 -14.775
  432   1HB   HIS  51          2HB       HIS  51   2.373  10.848 -16.286
  433   2HB   HIS  51          3HB       HIS  51   0.622  10.869 -16.496
  434    HD1  HIS  51           HD1      HIS  51  -0.202  12.600 -18.288
  435    HD2  HIS  51           HD2      HIS  51   3.761  13.134 -16.991
  436    HE1  HIS  51           HE1      HIS  51   0.878  14.291 -19.891
  437    QB   HIS  51           QB       HIS  51   1.497  10.858 -16.391
   
  Start of MODEL           4
 Raw file had 437 H/Q atoms
  Start of MODEL    4
    1    H    VAL   1           HN       VAL   1 -10.509  14.060   1.972
    2    HA   VAL   1           HA       VAL   1  -9.351  14.016  -0.250
    3    HB   VAL   1           HB       VAL   1  -8.169  12.327   2.002
    4   1HG1  VAL   1          1HG1      VAL   1  -7.006  13.253  -0.622
    5   2HG1  VAL   1          2HG1      VAL   1  -5.972  13.265   0.810
    6   3HG1  VAL   1          3HG1      VAL   1  -6.726  11.755   0.293
    7   1HG2  VAL   1          3HG2      VAL   1  -7.840  15.280   1.305
    8   2HG2  VAL   1          1HG2      VAL   1  -8.684  14.631   2.729
    9   3HG2  VAL   1          2HG2      VAL   1  -6.946  14.409   2.566
   10    QG1  VAL   1           QG1      VAL   1  -6.568  12.757   0.161
   11    QG2  VAL   1           QG2      VAL   1  -7.823  14.773   2.200
   12    QQG  VAL   1           QQG      VAL   1  -7.196  13.765   1.180
   13    H    VAL   2           HN       VAL   2  -8.772  12.676  -2.037
   14    HA   VAL   2           HA       VAL   2 -10.206  10.084  -2.192
   15    HB   VAL   2           HB       VAL   2  -9.041  11.988  -4.267
   16   1HG1  VAL   2          3HG1      VAL   2 -10.473   9.332  -4.704
   17   2HG1  VAL   2          1HG1      VAL   2 -10.161  10.544  -5.961
   18   3HG1  VAL   2          2HG1      VAL   2  -8.805   9.735  -5.182
   19   1HG2  VAL   2          2HG2      VAL   2 -11.176  12.744  -3.220
   20   2HG2  VAL   2          3HG2      VAL   2 -11.409  12.294  -4.911
   21   3HG2  VAL   2          1HG2      VAL   2 -11.918  11.183  -3.627
   22    QG1  VAL   2           QG1      VAL   2  -9.813   9.870  -5.282
   23    QG2  VAL   2           QG2      VAL   2 -11.501  12.074  -3.919
   24    QQG  VAL   2           QQG      VAL   2 -10.657  10.972  -4.601
   25    OH   TYR   3           OH       TYR   3  -4.212   8.691   2.901
   26    H    TYR   3           HN       TYR   3  -9.023   8.253  -3.179
   27    HA   TYR   3           HA       TYR   3  -6.079   8.282  -2.888
   28   1HB   TYR   3          2HB       TYR   3  -8.084   6.591  -1.380
   29   2HB   TYR   3          3HB       TYR   3  -6.556   5.879  -1.869
   30    HD1  TYR   3           HD2      TYR   3  -4.366   6.944  -1.276
   31    HD2  TYR   3           HD1      TYR   3  -8.099   7.916   0.664
   32    HE1  TYR   3           HE2      TYR   3  -3.127   7.774   0.696
   33    HE2  TYR   3           HE1      TYR   3  -6.853   8.718   2.645
   34    HH   TYR   3           HH       TYR   3  -4.776   8.947   3.632
   35    QB   TYR   3           QB       TYR   3  -7.320   6.235  -1.624
   36    QR   TYR   3           QR       TYR   3  -5.611   7.838   0.682
   37    H    THR   4           HN       THR   4  -5.249   6.037  -3.756
   38    HA   THR   4           HA       THR   4  -6.764   5.070  -6.068
   39    HB   THR   4           HB       THR   4  -4.955   5.578  -7.652
   40    HG1  THR   4          1HG       THR   4  -3.725   6.574  -5.331
   41   1HG2  THR   4          3HG2      THR   4  -6.757   7.324  -7.311
   42   2HG2  THR   4          1HG2      THR   4  -5.666   8.198  -6.222
   43   3HG2  THR   4          2HG2      THR   4  -5.231   7.974  -7.920
   44    QG2  THR   4           QG2      THR   4  -5.885   7.832  -7.151
   45    H    ASP   5           HN       ASP   5  -5.547   3.156  -7.078
   46    HA   ASP   5           HA       ASP   5  -4.666   1.509  -4.948
   47   1HB   ASP   5          2HB       ASP   5  -4.917   1.050  -7.939
   48   2HB   ASP   5          3HB       ASP   5  -4.411  -0.207  -6.811
   49    QB   ASP   5           QB       ASP   5  -4.664   0.422  -7.375
   50    H    CYS   6           HN       CYS   6  -2.708  -0.038  -5.188
   51    HA   CYS   6           HA       CYS   6  -0.377   1.741  -5.629
   52   1HB   CYS   6          2HB       CYS   6  -0.489  -1.016  -4.411
   53   2HB   CYS   6          3HB       CYS   6   0.982  -0.119  -4.752
   54    QB   CYS   6           QB       CYS   6   0.246  -0.568  -4.581
   55    H    THR   7           HN       THR   7   1.524   1.017  -6.841
   56    HA   THR   7           HA       THR   7   0.648  -0.274  -9.382
   57    HB   THR   7           HB       THR   7   2.500   1.032 -10.360
   58    HG1  THR   7          1HG       THR   7   3.877   1.497  -8.748
   59   1HG2  THR   7          1HG2      THR   7   0.076   1.856 -10.130
   60   2HG2  THR   7          2HG2      THR   7   0.633   2.809  -8.750
   61   3HG2  THR   7          3HG2      THR   7   1.306   3.118 -10.358
   62    QG2  THR   7           QG2      THR   7   0.672   2.594  -9.746
   63    H    GLU   8           HN       GLU   8   3.178  -0.337  -6.847
   64    HA   GLU   8           HA       GLU   8   4.179  -2.916  -7.975
   65   1HB   GLU   8          2HB       GLU   8   6.497  -2.084  -7.403
   66   2HB   GLU   8          3HB       GLU   8   5.736  -1.242  -8.765
   67   1HG   GLU   8          2HG       GLU   8   5.134   0.632  -7.343
   68   2HG   GLU   8          3HG       GLU   8   5.736  -0.235  -5.908
   69    QB   GLU   8           QB       GLU   8   6.116  -1.663  -8.084
   70    QG   GLU   8           QG       GLU   8   5.435   0.199  -6.626
   71    H    SER   9           HN       SER   9   5.351  -4.208  -6.384
   72    HA   SER   9           HA       SER   9   4.021  -4.229  -3.835
   73   1HB   SER   9          2HB       SER   9   6.241  -5.854  -5.093
   74   2HB   SER   9          3HB       SER   9   5.907  -6.001  -3.360
   75    HG   SER   9           HG       SER   9   4.594  -7.339  -5.018
   76    QB   SER   9           QB       SER   9   6.074  -5.927  -4.226
   77    H    GLY  10           HN       GLY  10   4.812  -3.927  -1.817
   78   1HA   GLY  10          1HA       GLY  10   6.063  -3.150  -0.142
   79   2HA   GLY  10          2HA       GLY  10   7.455  -2.874  -1.215
   80    QA   GLY  10           QA       GLY  10   6.759  -3.012  -0.678
   81    H    GLN  11           HN       GLN  11   4.527  -1.417  -2.352
   82    HA   GLN  11           HA       GLN  11   5.445   1.268  -1.679
   83   1HB   GLN  11          2HB       GLN  11   3.330   0.029  -3.394
   84   2HB   GLN  11          3HB       GLN  11   2.939   1.617  -2.756
   85   1HG   GLN  11          2HG       GLN  11   4.926   2.623  -3.646
   86   2HG   GLN  11          3HG       GLN  11   5.534   1.066  -4.204
   87   1HE2  GLN  11          2HE2      GLN  11   3.902   2.867  -7.081
   88   2HE2  GLN  11          1HE2      GLN  11   5.138   3.354  -5.911
   89    QB   GLN  11           QB       GLN  11   3.135   0.823  -3.075
   90    QG   GLN  11           QG       GLN  11   5.230   1.844  -3.925
   91    QE2  GLN  11           QE2      GLN  11   4.520   3.110  -6.496
   92    H    ASN  12           HN       ASN  12   3.522   2.778  -0.898
   93    HA   ASN  12           HA       ASN  12   1.436   1.579   0.654
   94   1HB   ASN  12          2HB       ASN  12   1.954   2.474   2.842
   95   2HB   ASN  12          3HB       ASN  12   3.291   1.477   2.322
   96   1HD2  ASN  12          2HD2      ASN  12   4.949   4.266   3.850
   97   2HD2  ASN  12          1HD2      ASN  12   3.964   2.899   4.333
   98    QB   ASN  12           QB       ASN  12   2.623   1.975   2.582
   99    QD2  ASN  12           QD2      ASN  12   4.456   3.582   4.092
  100    H    LEU  13           HN       LEU  13   0.301   3.611   1.814
  101    HA   LEU  13           HA       LEU  13  -0.755   5.582   1.663
  102   1HB   LEU  13          2HB       LEU  13   1.845   6.321   1.251
  103   2HB   LEU  13          3HB       LEU  13   1.146   6.843  -0.279
  104    HG   LEU  13           HG       LEU  13  -0.704   7.957   1.259
  105   1HD1  LEU  13          1HD1      LEU  13   0.075   6.851   3.383
  106   2HD1  LEU  13          2HD1      LEU  13   1.638   7.670   3.211
  107   3HD1  LEU  13          3HD1      LEU  13   0.164   8.617   3.486
  108   1HD2  LEU  13          2HD2      LEU  13   2.142   9.034   1.178
  109   2HD2  LEU  13          3HD2      LEU  13   0.908   9.222  -0.094
  110   3HD2  LEU  13          1HD2      LEU  13   0.671   9.980   1.495
  111    QB   LEU  13           QB       LEU  13   1.495   6.582   0.486
  112    QD1  LEU  13           QD1      LEU  13   0.626   7.713   3.360
  113    QD2  LEU  13           QD2      LEU  13   1.240   9.412   0.860
  114    QQD  LEU  13           QQD      LEU  13   0.933   8.562   2.110
  115    H    CYS  14           HN       CYS  14  -1.437   3.490   0.042
  116    HA   CYS  14           HA       CYS  14  -3.131   4.664  -1.946
  117   1HB   CYS  14          2HB       CYS  14  -2.284   2.906  -3.699
  118   2HB   CYS  14          3HB       CYS  14  -1.522   4.477  -3.492
  119    QB   CYS  14           QB       CYS  14  -1.903   3.692  -3.595
  120    H    LEU  15           HN       LEU  15  -4.615   3.020  -2.771
  121    HA   LEU  15           HA       LEU  15  -5.632   1.337  -0.605
  122   1HB   LEU  15          2HB       LEU  15  -6.574   1.533  -3.491
  123   2HB   LEU  15          3HB       LEU  15  -7.466   0.898  -2.109
  124    HG   LEU  15           HG       LEU  15  -6.594   3.795  -2.496
  125   1HD1  LEU  15          3HD1      LEU  15  -8.395   3.186  -4.035
  126   2HD1  LEU  15          1HD1      LEU  15  -9.361   2.568  -2.669
  127   3HD1  LEU  15          2HD1      LEU  15  -8.970   4.297  -2.775
  128   1HD2  LEU  15          1HD2      LEU  15  -8.364   2.538  -0.363
  129   2HD2  LEU  15          2HD2      LEU  15  -6.751   3.235  -0.093
  130   3HD2  LEU  15          3HD2      LEU  15  -8.095   4.276  -0.561
  131    QB   LEU  15           QB       LEU  15  -7.020   1.216  -2.800
  132    QD1  LEU  15           QD1      LEU  15  -8.908   3.350  -3.160
  133    QD2  LEU  15           QD2      LEU  15  -7.737   3.350  -0.339
  134    QQD  LEU  15           QQD      LEU  15  -8.323   3.350  -1.749
  135    H    CYS  16           HN       CYS  16  -4.831  -0.615  -0.201
  136    HA   CYS  16           HA       CYS  16  -3.171  -1.880  -2.368
  137   1HB   CYS  16          2HB       CYS  16  -2.181  -1.562  -0.141
  138   2HB   CYS  16          3HB       CYS  16  -3.429  -2.626   0.532
  139    QB   CYS  16           QB       CYS  16  -2.805  -2.094   0.195
  140    H    GLU  17           HN       GLU  17  -5.522  -2.867   0.136
  141    HA   GLU  17           HA       GLU  17  -6.544  -5.030  -1.647
  142   1HB   GLU  17          2HB       GLU  17  -7.215  -6.077   0.576
  143   2HB   GLU  17          3HB       GLU  17  -5.508  -6.127   0.125
  144   1HG   GLU  17          2HG       GLU  17  -5.006  -4.232   1.647
  145   2HG   GLU  17          3HG       GLU  17  -6.735  -4.170   2.076
  146    QB   GLU  17           QB       GLU  17  -6.361  -6.102   0.350
  147    QG   GLU  17           QG       GLU  17  -5.870  -4.201   1.861
  148    H    ASP  18           HN       GLY  18  -8.489  -4.587  -2.427
  149   1HA   ASP  18          1HA       GLY  18 -10.555  -3.650  -2.723
  150   2HA   ASP  18          2HA       GLY  18 -10.763  -3.796  -0.967
  151    QA   ASP  18           QA       GLY  18 -10.659  -3.723  -1.845
  152    H    SER  19           HN       SER  19 -11.370  -1.839  -0.163
  153    HA   SER  19           HA       SER  19 -10.326   0.664  -1.371
  154   1HB   SER  19          2HB       SER  19 -12.840   0.280  -1.101
  155   2HB   SER  19          3HB       SER  19 -12.521   0.316   0.656
  156    HG   SER  19           HG       SER  19 -11.533   2.391   0.278
  157    QB   SER  19           QB       SER  19 -12.681   0.298  -0.223
  158    H    ASN  20           HN       ASN  20  -9.031  -1.362   0.737
  159    HA   ASN  20           HA       ASN  20  -8.971   0.282   3.150
  160   1HB   ASN  20          2HB       ASN  20  -7.400  -2.204   2.567
  161   2HB   ASN  20          3HB       ASN  20  -7.706  -1.471   4.128
  162   1HD2  ASN  20          2HD2      ASN  20 -10.128  -4.091   4.374
  163   2HD2  ASN  20          1HD2      ASN  20  -8.448  -3.717   4.695
  164    QB   ASN  20           QB       ASN  20  -7.553  -1.837   3.348
  165    QD2  ASN  20           QD2      ASN  20  -9.288  -3.904   4.534
  166    H    VAL  21           HN       VAL  21  -7.578   1.878   3.398
  167    HA   VAL  21           HA       VAL  21  -5.460   2.334   1.473
  168    HB   VAL  21           HB       VAL  21  -6.978   4.105   2.175
  169   1HG1  VAL  21          3HG1      VAL  21  -7.160   3.521   4.634
  170   2HG1  VAL  21          1HG1      VAL  21  -5.539   4.218   4.853
  171   3HG1  VAL  21          2HG1      VAL  21  -6.869   5.228   4.273
  172   1HG2  VAL  21          2HG2      VAL  21  -4.785   4.642   1.218
  173   2HG2  VAL  21          3HG2      VAL  21  -5.263   5.826   2.451
  174   3HG2  VAL  21          1HG2      VAL  21  -4.043   4.604   2.836
  175    QG1  VAL  21           QG1      VAL  21  -6.523   4.322   4.587
  176    QG2  VAL  21           QG2      VAL  21  -4.697   5.024   2.168
  177    QQG  VAL  21           QQG      VAL  21  -5.610   4.673   3.377
  178    H    CYS  22           HN       CYS  22  -3.447   1.603   1.616
  179    HA   CYS  22           HA       CYS  22  -2.549   0.444   4.192
  180   1HB   CYS  22          2HB       CYS  22  -2.496  -0.625   1.865
  181   2HB   CYS  22          3HB       CYS  22  -1.125   0.402   1.508
  182    QB   CYS  22           QB       CYS  22  -1.811  -0.112   1.687
  183    H    GLY  23           HN       GLY  23  -2.339   2.604   5.238
  184   1HA   GLY  23          1HA       GLY  23  -0.791   4.690   4.060
  185   2HA   GLY  23          2HA       GLY  23  -1.369   4.614   5.725
  186    QA   GLY  23           QA       GLY  23  -1.080   4.652   4.893
  187    H    GLN  24           HN       GLN  24   0.919   5.863   5.776
  188    HA   GLN  24           HA       GLN  24   3.175   4.254   5.930
  189   1HB   GLN  24          2HB       GLN  24   2.502   6.798   7.450
  190   2HB   GLN  24          3HB       GLN  24   3.984   5.886   7.736
  191   1HG   GLN  24          2HG       GLN  24   4.240   6.010   5.085
  192   2HG   GLN  24          3HG       GLN  24   3.200   7.425   5.289
  193   1HE2  GLN  24          2HE2      GLN  24   7.127   7.533   6.492
  194   2HE2  GLN  24          1HE2      GLN  24   6.460   6.013   6.013
  195    QB   GLN  24           QB       GLN  24   3.243   6.342   7.593
  196    QG   GLN  24           QG       GLN  24   3.720   6.718   5.187
  197    QE2  GLN  24           QE2      GLN  24   6.793   6.773   6.253
  198    H    GLY  25           HN       GLY  25   4.227   3.203   7.625
  199   1HA   GLY  25          1HA       GLY  25   4.293   1.947   9.644
  200   2HA   GLY  25          2HA       GLY  25   2.595   2.318   9.955
  201    QA   GLY  25           QA       GLY  25   3.444   2.132   9.800
  202    H    ASN  26           HN       ASN  26   2.485   1.613   6.747
  203    HA   ASN  26           HA       ASN  26   2.203  -1.339   7.109
  204   1HB   ASN  26          2HB       ASN  26   0.457   0.383   5.345
  205   2HB   ASN  26          3HB       ASN  26   0.243  -1.292   5.855
  206   1HD2  ASN  26          2HD2      ASN  26  -1.493  -0.465   8.821
  207   2HD2  ASN  26          1HD2      ASN  26  -0.770  -1.749   7.866
  208    QB   ASN  26           QB       ASN  26   0.350  -0.454   5.600
  209    QD2  ASN  26           QD2      ASN  26  -1.132  -1.107   8.344
  210    H    LYS  27           HN       LYS  27   2.113  -2.402   4.882
  211    HA   LYS  27           HA       LYS  27   3.572  -0.982   2.757
  212   1HB   LYS  27          2HB       LYS  27   5.011  -2.672   4.425
  213   2HB   LYS  27          3HB       LYS  27   4.431  -3.809   3.178
  214   1HG   LYS  27          2HG       LYS  27   5.233  -2.132   1.497
  215   2HG   LYS  27          3HG       LYS  27   6.099  -1.340   2.791
  216   1HD   LYS  27          2HD       LYS  27   6.376  -4.279   1.992
  217   2HD   LYS  27          3HD       LYS  27   7.514  -3.019   1.517
  218   1HE   LYS  27          2HE       LYS  27   7.063  -3.546   4.469
  219   2HE   LYS  27          3HE       LYS  27   8.031  -4.653   3.520
  220   1HZ   LYS  27          2HZ       LYS  27   9.415  -2.766   2.867
  221   2HZ   LYS  27          3HZ       LYS  27   8.486  -1.762   3.799
  222   3HZ   LYS  27          1HZ       LYS  27   9.374  -2.954   4.505
  223    QB   LYS  27           QB       LYS  27   4.721  -3.241   3.802
  224    QG   LYS  27           QG       LYS  27   5.666  -1.736   2.144
  225    QD   LYS  27           QD       LYS  27   6.945  -3.649   1.754
  226    QE   LYS  27           QE       LYS  27   7.547  -4.100   3.994
  227    QZ   LYS  27           QZ       LYS  27   9.092  -2.494   3.724
  228    H    CYS  28           HN       CYS  28   2.800  -1.668   0.733
  229    HA   CYS  28           HA       CYS  28   0.564  -3.625   0.724
  230   1HB   CYS  28          2HB       CYS  28   0.173  -1.397  -0.292
  231   2HB   CYS  28          3HB       CYS  28   1.534  -1.666  -1.391
  232    QB   CYS  28           QB       CYS  28   0.853  -1.531  -0.842
  233    H    ILE  29           HN       ILE  29   0.695  -5.463  -0.483
  234    HA   ILE  29           HA       ILE  29   3.128  -6.087  -2.089
  235    HB   ILE  29           HB       ILE  29   1.281  -8.022  -0.653
  236   1HG1  ILE  29          2HG1      ILE  29   2.418  -6.698   1.071
  237   2HG1  ILE  29          3HG1      ILE  29   2.934  -8.369   1.061
  238   1HG2  ILE  29          2HG2      ILE  29   2.457  -8.989  -2.575
  239   2HG2  ILE  29          3HG2      ILE  29   4.017  -8.448  -1.927
  240   3HG2  ILE  29          1HG2      ILE  29   3.061  -9.669  -1.057
  241   1HD1  ILE  29          1HD1      ILE  29   4.566  -6.190  -0.307
  242   2HD1  ILE  29          2HD1      ILE  29   4.759  -6.639   1.392
  243   3HD1  ILE  29          3HD1      ILE  29   5.068  -7.839   0.127
  244    QG1  ILE  29           QG1      ILE  29   2.676  -7.534   1.066
  245    QG2  ILE  29           QG2      ILE  29   3.178  -9.035  -1.853
  246    QD1  ILE  29           QD1      ILE  29   4.798  -6.890   0.404
  247    H    LEU  30           HN       LEU  30   2.644  -6.096  -4.187
  248    HA   LEU  30           HA       LEU  30  -0.091  -6.503  -5.267
  249   1HB   LEU  30          2HB       LEU  30   2.510  -5.285  -6.161
  250   2HB   LEU  30          3HB       LEU  30   1.663  -6.205  -7.387
  251    HG   LEU  30           HG       LEU  30   1.268  -3.736  -7.373
  252   1HD1  LEU  30          3HD1      LEU  30  -1.084  -5.634  -7.260
  253   2HD1  LEU  30          1HD1      LEU  30  -1.172  -3.968  -7.868
  254   3HD1  LEU  30          2HD1      LEU  30  -0.129  -5.160  -8.663
  255   1HD2  LEU  30          1HD2      LEU  30   1.025  -3.292  -4.994
  256   2HD2  LEU  30          2HD2      LEU  30  -0.432  -2.811  -5.885
  257   3HD2  LEU  30          3HD2      LEU  30  -0.445  -4.291  -4.917
  258    QB   LEU  30           QB       LEU  30   2.087  -5.745  -6.774
  259    QD1  LEU  30           QD1      LEU  30  -0.795  -4.921  -7.930
  260    QD2  LEU  30           QD2      LEU  30   0.049  -3.464  -5.266
  261    QQD  LEU  30           QQD      LEU  30  -0.373  -4.193  -6.598
  262    H    GLY  31           HN       GLY  31  -0.640  -8.509  -6.039
  263   1HA   GLY  31          1HA       GLY  31   1.223 -10.759  -5.992
  264   2HA   GLY  31          2HA       GLY  31  -0.442 -10.751  -6.594
  265    QA   GLY  31           QA       GLY  31   0.390 -10.755  -6.293
  266    H    SER  32           HN       SER  32   1.241 -12.165  -8.211
  267    HA   SER  32           HA       SER  32   1.673 -10.386 -10.556
  268   1HB   SER  32          2HB       SER  32   3.942 -11.809  -9.107
  269   2HB   SER  32          3HB       SER  32   4.069 -11.251 -10.786
  270    HG   SER  32           HG       SER  32   4.868  -9.676  -9.389
  271    QB   SER  32           QB       SER  32   4.006 -11.530  -9.946
  272    H    ASN  33           HN       ASP  33  -0.191 -12.384 -10.161
  273    HA   ASN  33           HA       ASP  33   0.175 -14.470 -11.978
  274   1HB   ASN  33          2HB       ASP  33   0.577 -16.246 -10.133
  275   2HB   ASN  33          3HB       ASP  33   1.959 -15.286 -10.593
  276    QB   ASN  33           QB       ASP  33   1.268 -15.766 -10.363
  277    H    GLY  34           HN       GLY  34  -1.980 -12.784 -11.432
  278   1HA   GLY  34          1HA       GLY  34  -4.265 -12.979 -11.331
  279   2HA   GLY  34          2HA       GLY  34  -4.054 -14.734 -11.263
  280    QA   GLY  34           QA       GLY  34  -4.160 -13.856 -11.297
  281    H    GLU  35           HN       GLU  35  -2.375 -13.432  -8.736
  282    HA   GLU  35           HA       GLU  35  -4.301 -14.036  -6.656
  283   1HB   GLU  35          2HB       GLU  35  -1.414 -13.895  -7.036
  284   2HB   GLU  35          3HB       GLU  35  -1.816 -12.794  -5.757
  285   1HG   GLU  35          2HG       GLU  35  -1.234 -15.031  -4.941
  286   2HG   GLU  35          3HG       GLU  35  -2.894 -14.602  -4.515
  287    QB   GLU  35           QB       GLU  35  -1.615 -13.344  -6.397
  288    QG   GLU  35           QG       GLU  35  -2.064 -14.816  -4.728
  289    H    LYS  36           HN       LYS  36  -4.268 -12.461  -4.748
  290    HA   LYS  36           HA       LYS  36  -5.398  -9.883  -5.722
  291   1HB   LYS  36          2HB       LYS  36  -5.746 -11.373  -3.092
  292   2HB   LYS  36          3HB       LYS  36  -6.492  -9.842  -3.494
  293   1HG   LYS  36          2HG       LYS  36  -8.175 -10.772  -4.603
  294   2HG   LYS  36          3HG       LYS  36  -7.112 -11.743  -5.614
  295   1HD   LYS  36          2HD       LYS  36  -7.904 -12.479  -2.754
  296   2HD   LYS  36          3HD       LYS  36  -8.767 -13.032  -4.201
  297   1HE   LYS  36          2HE       LYS  36  -6.700 -14.107  -5.073
  298   2HE   LYS  36          3HE       LYS  36  -5.801 -13.579  -3.644
  299   1HZ   LYS  36          2HZ       LYS  36  -8.073 -15.435  -3.607
  300   2HZ   LYS  36          3HZ       LYS  36  -6.483 -15.830  -3.491
  301   3HZ   LYS  36          1HZ       LYS  36  -7.195 -14.948  -2.298
  302    QB   LYS  36           QB       LYS  36  -6.119 -10.607  -3.293
  303    QG   LYS  36           QG       LYS  36  -7.644 -11.258  -5.109
  304    QD   LYS  36           QD       LYS  36  -8.335 -12.755  -3.478
  305    QE   LYS  36           QE       LYS  36  -6.250 -13.843  -4.358
  306    QZ   LYS  36           QZ       LYS  36  -7.250 -15.404  -3.132
  307    H    ASN  37           HN       ASN  37  -5.096  -8.056  -4.133
  308    HA   ASN  37           HA       ASN  37  -2.247  -7.689  -3.510
  309   1HB   ASN  37          2HB       ASN  37  -4.740  -5.967  -3.361
  310   2HB   ASN  37          3HB       ASN  37  -3.177  -5.441  -2.704
  311   1HD2  ASN  37          2HD2      ASN  37  -3.119  -3.858  -5.938
  312   2HD2  ASN  37          1HD2      ASN  37  -3.901  -3.699  -4.370
  313    QB   ASN  37           QB       ASN  37  -3.958  -5.704  -3.032
  314    QD2  ASN  37           QD2      ASN  37  -3.510  -3.778  -5.154
  315    H    GLN  38           HN       GLN  38  -1.474  -7.167  -1.415
  316    HA   GLN  38           HA       GLN  38  -3.258  -7.739   0.915
  317   1HB   GLN  38          2HB       GLN  38  -0.447  -8.914   0.668
  318   2HB   GLN  38          3HB       GLN  38  -1.682  -9.226   1.879
  319   1HG   GLN  38          2HG       GLN  38  -3.114 -10.137  -0.103
  320   2HG   GLN  38          3HG       GLN  38  -1.609 -10.082  -1.054
  321   1HE2  GLN  38          2HE2      GLN  38  -2.060 -12.806   2.028
  322   2HE2  GLN  38          1HE2      GLN  38  -3.011 -11.329   2.008
  323    QB   GLN  38           QB       GLN  38  -1.064  -9.070   1.273
  324    QG   GLN  38           QG       GLN  38  -2.361 -10.109  -0.578
  325    QE2  GLN  38           QE2      GLN  38  -2.535 -12.068   2.018
  326    H    CYS  39           HN       CYS  39  -3.046  -6.188   2.472
  327    HA   CYS  39           HA       CYS  39  -0.708  -4.366   2.418
  328   1HB   CYS  39          2HB       CYS  39  -2.931  -3.316   2.472
  329   2HB   CYS  39          3HB       CYS  39  -3.307  -4.228   3.946
  330    QB   CYS  39           QB       CYS  39  -3.119  -3.772   3.209
  331    H    VAL  40           HN       VAL  40   0.982  -5.066   3.688
  332    HA   VAL  40           HA       VAL  40   0.435  -6.642   6.163
  333    HB   VAL  40           HB       VAL  40   2.772  -7.279   6.092
  334   1HG1  VAL  40          1HG1      VAL  40   1.214  -7.785   3.523
  335   2HG1  VAL  40          2HG1      VAL  40   2.755  -8.573   3.888
  336   3HG1  VAL  40          3HG1      VAL  40   1.367  -8.811   4.964
  337   1HG2  VAL  40          2HG2      VAL  40   3.787  -5.283   5.052
  338   2HG2  VAL  40          3HG2      VAL  40   4.275  -6.772   4.252
  339   3HG2  VAL  40          1HG2      VAL  40   3.063  -5.738   3.493
  340    QG1  VAL  40           QG1      VAL  40   1.779  -8.390   4.125
  341    QG2  VAL  40           QG2      VAL  40   3.708  -5.931   4.266
  342    QQG  VAL  40           QQG      VAL  40   2.743  -7.160   4.195
  343    H    THR  41           HN       THR  41   1.983  -6.013   8.003
  344    HA   THR  41           HA       THR  41   1.896  -3.093   8.421
  345    HB   THR  41           HB       THR  41   1.164  -4.517  10.225
  346    HG1  THR  41          1HG       THR  41   3.630  -3.284  10.855
  347   1HG2  THR  41          3HG2      THR  41   3.981  -5.703  10.213
  348   2HG2  THR  41          1HG2      THR  41   2.813  -5.863  11.533
  349   3HG2  THR  41          2HG2      THR  41   2.450  -6.563   9.955
  350    QG2  THR  41           QG2      THR  41   3.081  -6.043  10.567
  351    H    GLY  42           HN       GLY  42   3.892  -1.895   8.940
  352   1HA   GLY  42          1HA       GLY  42   6.402  -2.534   9.286
  353   2HA   GLY  42          2HA       GLY  42   6.329  -2.943   7.562
  354    QA   GLY  42           QA       GLY  42   6.366  -2.738   8.424
  355    H    GLU  43           HN       GLU  43   6.752  -1.312   6.159
  356    HA   GLU  43           HA       GLU  43   5.690   1.246   6.291
  357   1HB   GLU  43          2HB       GLU  43   8.327   0.891   7.577
  358   2HB   GLU  43          3HB       GLU  43   8.497   1.891   6.134
  359   1HG   GLU  43          2HG       GLU  43   6.470   2.403   8.352
  360   2HG   GLU  43          3HG       GLU  43   8.048   3.174   8.171
  361    QB   GLU  43           QB       GLU  43   8.412   1.391   6.855
  362    QG   GLU  43           QG       GLU  43   7.259   2.789   8.261
  363    H    GLY  44           HN       GLY  44   6.062   2.274   4.150
  364   1HA   GLY  44          1HA       GLY  44   7.542   0.641   2.163
  365   2HA   GLY  44          2HA       GLY  44   5.783   0.814   1.978
  366    QA   GLY  44           QA       GLY  44   6.662   0.727   2.071
  367    H    THR  45           HN       THR  45   7.153   1.689  -0.084
  368    HA   THR  45           HA       THR  45   7.888   4.508   0.208
  369    HB   THR  45           HB       THR  45   7.685   2.717  -2.242
  370    HG1  THR  45          1HG       THR  45   9.949   2.593  -1.888
  371   1HG2  THR  45          2HG2      THR  45   9.106   5.394  -1.847
  372   2HG2  THR  45          3HG2      THR  45   9.221   4.356  -3.279
  373   3HG2  THR  45          1HG2      THR  45   7.679   5.114  -2.871
  374    QG2  THR  45           QG2      THR  45   8.668   4.955  -2.666
  375    HA   PRO  46           HA       PRO  46   3.630   5.714  -0.659
  376   1HB   PRO  46          2HB       PRO  46   3.894   8.370  -1.221
  377   2HB   PRO  46          3HB       PRO  46   4.005   7.672   0.422
  378   1HG   PRO  46          2HG       PRO  46   6.287   8.343  -1.453
  379   2HG   PRO  46          3HG       PRO  46   6.118   8.804   0.270
  380   1HD   PRO  46          2HD       PRO  46   7.588   6.665  -0.499
  381   2HD   PRO  46          3HD       PRO  46   6.591   6.580   0.987
  382    QB   PRO  46           QB       PRO  46   3.950   8.021  -0.400
  383    QG   PRO  46           QG       PRO  46   6.202   8.574  -0.592
  384    QD   PRO  46           QD       PRO  46   7.089   6.623   0.244
  385    H    LYS  47           HN       LYS  47   2.425   5.612  -2.562
  386    HA   LYS  47           HA       LYS  47   3.531   5.083  -5.010
  387   1HB   LYS  47          2HB       LYS  47   1.041   5.008  -4.186
  388   2HB   LYS  47          3HB       LYS  47   0.903   6.605  -4.933
  389   1HG   LYS  47          2HG       LYS  47   1.795   5.595  -7.090
  390   2HG   LYS  47          3HG       LYS  47   1.861   4.042  -6.260
  391   1HD   LYS  47          2HD       LYS  47  -0.147   3.609  -6.899
  392   2HD   LYS  47          3HD       LYS  47  -0.795   4.798  -5.807
  393   1HE   LYS  47          2HE       LYS  47   0.109   5.524  -8.635
  394   2HE   LYS  47          3HE       LYS  47  -1.452   4.771  -8.351
  395   1HZ   LYS  47          1HZ       LYS  47  -0.634   7.273  -7.054
  396   2HZ   LYS  47          2HZ       LYS  47  -1.553   7.172  -8.420
  397   3HZ   LYS  47          3HZ       LYS  47  -2.133   6.560  -7.013
  398    QB   LYS  47           QB       LYS  47   0.972   5.806  -4.560
  399    QG   LYS  47           QG       LYS  47   1.828   4.818  -6.675
  400    QD   LYS  47           QD       LYS  47  -0.471   4.204  -6.353
  401    QE   LYS  47           QE       LYS  47  -0.671   5.147  -8.493
  402    QZ   LYS  47           QZ       LYS  47  -1.440   7.002  -7.496
  403    HA   PRO  48           HA       PRO  48   4.905   9.294  -6.115
  404   1HB   PRO  48          2HB       PRO  48   6.101   8.712  -8.541
  405   2HB   PRO  48          3HB       PRO  48   6.877   8.525  -6.944
  406   1HG   PRO  48          2HG       PRO  48   5.698   6.405  -8.698
  407   2HG   PRO  48          3HG       PRO  48   7.107   6.306  -7.604
  408   1HD   PRO  48          2HD       PRO  48   4.528   5.383  -7.056
  409   2HD   PRO  48          3HD       PRO  48   5.765   5.729  -5.811
  410    QB   PRO  48           QB       PRO  48   6.489   8.618  -7.743
  411    QG   PRO  48           QG       PRO  48   6.402   6.355  -8.151
  412    QD   PRO  48           QD       PRO  48   5.146   5.556  -6.434
  413    H    GLN  49           HN       GLN  49   4.063  10.836  -7.619
  414    HA   GLN  49           HA       GLN  49   1.519  10.303  -8.838
  415   1HB   GLN  49          2HB       GLN  49   1.520  12.549  -9.279
  416   2HB   GLN  49          3HB       GLN  49   2.326  12.482  -7.727
  417   1HG   GLN  49          2HG       GLN  49   3.773  12.852 -10.429
  418   2HG   GLN  49          3HG       GLN  49   3.201  14.145  -9.387
  419   1HE2  GLN  49          2HE2      GLN  49   6.306  14.197  -7.735
  420   2HE2  GLN  49          1HE2      GLN  49   5.059  15.117  -8.558
  421    QB   GLN  49           QB       GLN  49   1.923  12.515  -8.503
  422    QG   GLN  49           QG       GLN  49   3.487  13.499  -9.908
  423    QE2  GLN  49           QE2      GLN  49   5.683  14.657  -8.147
  424    H    SER  50           HN       SER  50   1.148  10.460 -11.090
  425    HA   SER  50           HA       SER  50   1.439  10.021 -13.266
  426   1HB   SER  50          2HB       SER  50   4.387  10.745 -12.956
  427   2HB   SER  50          3HB       SER  50   3.429  10.734 -14.441
  428    HG   SER  50           HG       SER  50   2.123  12.397 -13.475
  429    QB   SER  50           QB       SER  50   3.908  10.740 -13.699
  430    H    HIS  51           HN       HIS  51   2.567   8.524 -14.843
  431    HA   HIS  51           HA       HIS  51   2.877   6.358 -15.369
  432   1HB   HIS  51          2HB       HIS  51   5.158   5.474 -14.593
  433   2HB   HIS  51          3HB       HIS  51   5.077   6.937 -15.556
  434    HD1  HIS  51           HD1      HIS  51   6.004   9.151 -14.529
  435    HD2  HIS  51           HD2      HIS  51   5.883   5.856 -11.916
  436    HE1  HIS  51           HE1      HIS  51   7.320   9.824 -12.448
  437    QB   HIS  51           QB       HIS  51   5.118   6.206 -15.074
   
  Start of MODEL           5
 Raw file had 437 H/Q atoms
  Start of MODEL    5
    1    H    VAL   1           HN       VAL   1 -11.045  12.314   1.802
    2    HA   VAL   1           HA       VAL   1 -10.312  12.093  -0.444
    3    HB   VAL   1           HB       VAL   1  -8.102  11.277   1.497
    4   1HG1  VAL   1          3HG1      VAL   1  -7.796  12.299  -1.360
    5   2HG1  VAL   1          1HG1      VAL   1  -6.490  12.063  -0.181
    6   3HG1  VAL   1          2HG1      VAL   1  -7.383  10.667  -0.790
    7   1HG2  VAL   1          3HG2      VAL   1  -9.161  13.514   1.920
    8   2HG2  VAL   1          1HG2      VAL   1  -7.479  13.649   1.399
    9   3HG2  VAL   1          2HG2      VAL   1  -8.787  13.977   0.246
   10    QG1  VAL   1           QG1      VAL   1  -7.223  11.676  -0.777
   11    QG2  VAL   1           QG2      VAL   1  -8.476  13.714   1.188
   12    QQG  VAL   1           QQG      VAL   1  -7.849  12.695   0.206
   13    H    VAL   2           HN       VAL   2 -10.736  10.626  -2.042
   14    HA   VAL   2           HA       VAL   2 -10.384   7.741  -1.464
   15    HB   VAL   2           HB       VAL   2 -11.835   9.142  -3.730
   16   1HG1  VAL   2          2HG1      VAL   2 -10.932   6.324  -3.318
   17   2HG1  VAL   2          3HG1      VAL   2 -12.639   6.502  -3.736
   18   3HG1  VAL   2          1HG1      VAL   2 -11.398   7.183  -4.796
   19   1HG2  VAL   2          2HG2      VAL   2 -12.770   7.696  -1.211
   20   2HG2  VAL   2          3HG2      VAL   2 -13.079   9.383  -1.678
   21   3HG2  VAL   2          1HG2      VAL   2 -13.830   8.069  -2.586
   22    QG1  VAL   2           QG1      VAL   2 -11.656   6.669  -3.950
   23    QG2  VAL   2           QG2      VAL   2 -13.227   8.383  -1.825
   24    QQG  VAL   2           QQG      VAL   2 -12.442   7.526  -2.887
   25    OH   TYR   3           OH       TYR   3  -6.295   9.068   2.961
   26    H    TYR   3           HN       TYR   3  -8.503   7.053  -1.878
   27    HA   TYR   3           HA       TYR   3  -6.501   8.244  -3.622
   28   1HB   TYR   3          2HB       TYR   3  -6.398   5.636  -2.066
   29   2HB   TYR   3          3HB       TYR   3  -5.045   6.637  -2.539
   30    HD1  TYR   3           HD2      TYR   3  -4.693   8.865  -1.297
   31    HD2  TYR   3           HD1      TYR   3  -7.669   5.994  -0.071
   32    HE1  TYR   3           HE2      TYR   3  -4.829   9.938   0.931
   33    HE2  TYR   3           HE1      TYR   3  -7.801   7.073   2.144
   34    HH   TYR   3           HH       TYR   3  -5.523   9.604   3.142
   35    QB   TYR   3           QB       TYR   3  -5.722   6.137  -2.303
   36    QR   TYR   3           QR       TYR   3  -6.248   7.968   0.427
   37    H    THR   4           HN       THR   4  -5.208   6.092  -4.712
   38    HA   THR   4           HA       THR   4  -7.207   4.490  -6.258
   39    HB   THR   4           HB       THR   4  -5.638   4.655  -8.168
   40    HG1  THR   4          1HG       THR   4  -3.828   5.172  -6.701
   41   1HG2  THR   4          1HG2      THR   4  -7.542   6.240  -7.960
   42   2HG2  THR   4          2HG2      THR   4  -6.507   7.393  -7.099
   43   3HG2  THR   4          3HG2      THR   4  -6.157   6.985  -8.785
   44    QG2  THR   4           QG2      THR   4  -6.736   6.872  -7.948
   45    H    ASP   5           HN       ASP   5  -6.186   2.423  -7.114
   46    HA   ASP   5           HA       ASP   5  -4.756   0.982  -5.218
   47   1HB   ASP   5          2HB       ASP   5  -5.267   0.576  -8.182
   48   2HB   ASP   5          3HB       ASP   5  -4.255  -0.546  -7.277
   49    QB   ASP   5           QB       ASP   5  -4.761   0.015  -7.729
   50    H    CYS   6           HN       CYS   6  -2.707  -0.128  -5.535
   51    HA   CYS   6           HA       CYS   6  -0.504   1.762  -6.159
   52   1HB   CYS   6          2HB       CYS   6  -0.736  -0.773  -4.541
   53   2HB   CYS   6          3HB       CYS   6   0.770  -0.481  -5.399
   54    QB   CYS   6           QB       CYS   6   0.017  -0.627  -4.970
   55    H    THR   7           HN       THR   7   1.351   0.983  -7.425
   56    HA   THR   7           HA       THR   7   0.668  -1.059  -9.492
   57    HB   THR   7           HB       THR   7   1.689   0.352 -11.168
   58    HG1  THR   7          1HG       THR   7   3.032   1.637  -9.882
   59   1HG2  THR   7          1HG2      THR   7  -0.810   0.494 -10.591
   60   2HG2  THR   7          2HG2      THR   7  -0.428   2.006  -9.746
   61   3HG2  THR   7          3HG2      THR   7  -0.121   1.861 -11.487
   62    QG2  THR   7           QG2      THR   7  -0.453   1.454 -10.608
   63    H    GLU   8           HN       GLU   8   2.547  -0.905  -6.885
   64    HA   GLU   8           HA       GLU   8   4.458  -2.688  -8.060
   65   1HB   GLU   8          2HB       GLU   8   6.487  -1.506  -7.317
   66   2HB   GLU   8          3HB       GLU   8   5.663  -0.605  -8.597
   67   1HG   GLU   8          2HG       GLU   8   5.406   1.185  -7.287
   68   2HG   GLU   8          3HG       GLU   8   4.724   0.218  -5.971
   69    QB   GLU   8           QB       GLU   8   6.075  -1.056  -7.957
   70    QG   GLU   8           QG       GLU   8   5.065   0.702  -6.629
   71    H    SER   9           HN       SER   9   5.613  -3.883  -6.397
   72    HA   SER   9           HA       SER   9   4.118  -4.068  -3.897
   73   1HB   SER   9          2HB       SER   9   6.345  -5.664  -5.214
   74   2HB   SER   9          3HB       SER   9   5.965  -5.897  -3.502
   75    HG   SER   9           HG       SER   9   4.727  -7.263  -4.999
   76    QB   SER   9           QB       SER   9   6.155  -5.781  -4.358
   77    H    GLY  10           HN       GLY  10   4.744  -3.422  -1.913
   78   1HA   GLY  10          1HA       GLY  10   6.457  -3.029  -0.265
   79   2HA   GLY  10          2HA       GLY  10   7.591  -2.524  -1.503
   80    QA   GLY  10           QA       GLY  10   7.024  -2.776  -0.884
   81    H    GLN  11           HN       GLN  11   4.299  -1.378  -1.795
   82    HA   GLN  11           HA       GLN  11   5.289   1.320  -1.118
   83   1HB   GLN  11          2HB       GLN  11   4.481   0.228  -3.602
   84   2HB   GLN  11          3HB       GLN  11   3.097   1.166  -3.030
   85   1HG   GLN  11          2HG       GLN  11   4.404   3.168  -2.853
   86   2HG   GLN  11          3HG       GLN  11   5.906   2.266  -3.203
   87   1HE2  GLN  11          2HE2      GLN  11   3.398   2.536  -6.432
   88   2HE2  GLN  11          1HE2      GLN  11   2.735   2.020  -4.884
   89    QB   GLN  11           QB       GLN  11   3.789   0.697  -3.316
   90    QG   GLN  11           QG       GLN  11   5.155   2.717  -3.028
   91    QE2  GLN  11           QE2      GLN  11   3.066   2.278  -5.658
   92    H    ASN  12           HN       ASN  12   3.805   2.833  -0.302
   93    HA   ASN  12           HA       ASN  12   1.387   1.612   1.013
   94   1HB   ASN  12          2HB       ASN  12   1.840   2.723   3.034
   95   2HB   ASN  12          3HB       ASN  12   3.335   1.922   2.523
   96   1HD2  ASN  12          2HD2      ASN  12   4.590   5.089   3.678
   97   2HD2  ASN  12          1HD2      ASN  12   3.935   3.586   4.355
   98    QB   ASN  12           QB       ASN  12   2.587   2.322   2.778
   99    QD2  ASN  12           QD2      ASN  12   4.262   4.338   4.016
  100    H    LEU  13           HN       LEU  13   0.019   3.588   1.992
  101    HA   LEU  13           HA       LEU  13  -1.354   5.326   1.498
  102   1HB   LEU  13          2HB       LEU  13   1.378   6.209   0.969
  103   2HB   LEU  13          3HB       LEU  13   0.299   7.034  -0.129
  104    HG   LEU  13           HG       LEU  13  -1.042   7.859   1.739
  105   1HD1  LEU  13          3HD1      LEU  13   0.897   6.225   3.437
  106   2HD1  LEU  13          1HD1      LEU  13  -0.064   7.567   4.097
  107   3HD1  LEU  13          2HD1      LEU  13  -0.874   6.137   3.458
  108   1HD2  LEU  13          2HD2      LEU  13   1.154   8.959   0.916
  109   2HD2  LEU  13          3HD2      LEU  13   0.544   9.465   2.502
  110   3HD2  LEU  13          1HD2      LEU  13   1.895   8.315   2.394
  111    QB   LEU  13           QB       LEU  13   0.838   6.621   0.420
  112    QD1  LEU  13           QD1      LEU  13  -0.014   6.643   3.664
  113    QD2  LEU  13           QD2      LEU  13   1.198   8.913   1.938
  114    QQD  LEU  13           QQD      LEU  13   0.592   7.778   2.801
  115    H    CYS  14           HN       CYS  14  -1.962   3.207   0.087
  116    HA   CYS  14           HA       CYS  14  -3.262   4.321  -2.263
  117   1HB   CYS  14          2HB       CYS  14  -2.286   2.722  -3.845
  118   2HB   CYS  14          3HB       CYS  14  -0.993   3.652  -3.105
  119    QB   CYS  14           QB       CYS  14  -1.639   3.187  -3.475
  120    H    LEU  15           HN       LEU  15  -4.739   2.692  -3.151
  121    HA   LEU  15           HA       LEU  15  -6.121   1.261  -0.982
  122   1HB   LEU  15          2HB       LEU  15  -6.763   1.475  -3.963
  123   2HB   LEU  15          3HB       LEU  15  -7.823   0.872  -2.696
  124    HG   LEU  15           HG       LEU  15  -6.852   3.720  -3.056
  125   1HD1  LEU  15          1HD1      LEU  15  -9.601   2.433  -3.174
  126   2HD1  LEU  15          2HD1      LEU  15  -9.297   4.178  -3.228
  127   3HD1  LEU  15          3HD1      LEU  15  -8.678   3.134  -4.519
  128   1HD2  LEU  15          1HD2      LEU  15  -8.190   2.370  -0.704
  129   2HD2  LEU  15          2HD2      LEU  15  -6.851   3.538  -0.722
  130   3HD2  LEU  15          3HD2      LEU  15  -8.509   4.081  -1.046
  131    QB   LEU  15           QB       LEU  15  -7.293   1.173  -3.330
  132    QD1  LEU  15           QD1      LEU  15  -9.192   3.248  -3.640
  133    QD2  LEU  15           QD2      LEU  15  -7.850   3.330  -0.824
  134    QQD  LEU  15           QQD      LEU  15  -8.521   3.289  -2.232
  135    H    CYS  16           HN       CYS  16  -5.531  -0.690  -0.350
  136    HA   CYS  16           HA       CYS  16  -4.209  -2.505  -2.391
  137   1HB   CYS  16          2HB       CYS  16  -2.771  -1.604  -0.547
  138   2HB   CYS  16          3HB       CYS  16  -3.839  -2.403   0.599
  139    QB   CYS  16           QB       CYS  16  -3.305  -2.003   0.026
  140    H    GLU  17           HN       GLU  17  -5.867  -2.635   0.752
  141    HA   GLU  17           HA       GLU  17  -7.323  -5.093  -0.028
  142   1HB   GLU  17          2HB       GLU  17  -6.545  -3.821   2.538
  143   2HB   GLU  17          3HB       GLU  17  -8.252  -4.221   2.470
  144   1HG   GLU  17          2HG       GLU  17  -7.529  -6.185   3.279
  145   2HG   GLU  17          3HG       GLU  17  -7.383  -6.587   1.573
  146    QB   GLU  17           QB       GLU  17  -7.399  -4.021   2.504
  147    QG   GLU  17           QG       GLU  17  -7.456  -6.386   2.426
  148    H    ASP  18           HN       GLY  18  -8.546  -4.180  -1.735
  149   1HA   ASP  18          1HA       GLY  18 -10.534  -3.312  -2.567
  150   2HA   ASP  18          2HA       GLY  18 -11.132  -3.333  -0.896
  151    QA   ASP  18           QA       GLY  18 -10.833  -3.322  -1.731
  152    H    SER  19           HN       SER  19 -11.975  -1.300  -0.510
  153    HA   SER  19           HA       SER  19 -10.701   1.077  -1.689
  154   1HB   SER  19          2HB       SER  19 -13.201   0.823  -1.578
  155   2HB   SER  19          3HB       SER  19 -13.079   0.943   0.194
  156    HG   SER  19           HG       SER  19 -11.902   2.967  -0.265
  157    QB   SER  19           QB       SER  19 -13.140   0.883  -0.692
  158    H    ASN  20           HN       ASN  20  -9.704  -0.765   0.873
  159    HA   ASN  20           HA       ASN  20  -9.458   1.418   2.834
  160   1HB   ASN  20          2HB       ASN  20  -8.444  -1.420   3.003
  161   2HB   ASN  20          3HB       ASN  20  -8.569  -0.249   4.302
  162   1HD2  ASN  20          2HD2      ASN  20 -12.021  -0.841   4.915
  163   2HD2  ASN  20          1HD2      ASN  20 -10.617   0.133   5.322
  164    QB   ASN  20           QB       ASN  20  -8.506  -0.835   3.652
  165    QD2  ASN  20           QD2      ASN  20 -11.319  -0.354   5.119
  166    H    VAL  21           HN       VAL  21  -7.732   2.686   2.884
  167    HA   VAL  21           HA       VAL  21  -5.553   2.287   1.018
  168    HB   VAL  21           HB       VAL  21  -6.539   4.477   1.380
  169   1HG1  VAL  21          1HG1      VAL  21  -5.311   4.404   4.168
  170   2HG1  VAL  21          2HG1      VAL  21  -5.924   5.845   3.359
  171   3HG1  VAL  21          3HG1      VAL  21  -7.038   4.527   3.753
  172   1HG2  VAL  21          2HG2      VAL  21  -4.244   4.222   0.532
  173   2HG2  VAL  21          3HG2      VAL  21  -4.470   5.748   1.383
  174   3HG2  VAL  21          1HG2      VAL  21  -3.605   4.419   2.181
  175    QG1  VAL  21           QG1      VAL  21  -6.091   4.925   3.760
  176    QG2  VAL  21           QG2      VAL  21  -4.106   4.796   1.366
  177    QQG  VAL  21           QQG      VAL  21  -5.098   4.861   2.563
  178    H    CYS  22           HN       CYS  22  -3.475   1.616   1.449
  179    HA   CYS  22           HA       CYS  22  -2.978   0.364   4.031
  180   1HB   CYS  22          2HB       CYS  22  -2.164  -0.460   1.767
  181   2HB   CYS  22          3HB       CYS  22  -0.932   0.803   1.844
  182    QB   CYS  22           QB       CYS  22  -1.548   0.172   1.806
  183    H    GLY  23           HN       GLY  23  -3.091   1.979   5.543
  184   1HA   GLY  23          1HA       GLY  23  -1.970   4.516   5.580
  185   2HA   GLY  23          2HA       GLY  23  -2.261   3.520   7.013
  186    QA   GLY  23           QA       GLY  23  -2.116   4.018   6.297
  187    H    GLN  24           HN       GLN  24  -0.063   5.404   6.678
  188    HA   GLN  24           HA       GLN  24   2.365   4.280   5.972
  189   1HB   GLN  24          2HB       GLN  24   1.610   6.328   8.093
  190   2HB   GLN  24          3HB       GLN  24   3.280   5.841   7.839
  191   1HG   GLN  24          2HG       GLN  24   2.348   6.416   5.228
  192   2HG   GLN  24          3HG       GLN  24   1.640   7.670   6.251
  193   1HE2  GLN  24          2HE2      GLN  24   5.754   7.378   5.864
  194   2HE2  GLN  24          1HE2      GLN  24   4.752   5.974   5.555
  195    QB   GLN  24           QB       GLN  24   2.445   6.084   7.966
  196    QG   GLN  24           QG       GLN  24   1.994   7.043   5.739
  197    QE2  GLN  24           QE2      GLN  24   5.253   6.676   5.710
  198    H    GLY  25           HN       GLY  25   4.170   3.466   7.265
  199   1HA   GLY  25          1HA       GLY  25   5.148   2.119   8.848
  200   2HA   GLY  25          2HA       GLY  25   3.676   2.166   9.829
  201    QA   GLY  25           QA       GLY  25   4.412   2.142   9.339
  202    H    ASN  26           HN       ASN  26   2.854   1.355   6.728
  203    HA   ASN  26           HA       ASN  26   3.121  -1.506   6.800
  204   1HB   ASN  26          2HB       ASN  26   0.521  -0.009   6.038
  205   2HB   ASN  26          3HB       ASN  26   0.721  -1.726   6.259
  206   1HD2  ASN  26          2HD2      ASN  26   0.386   0.411   9.763
  207   2HD2  ASN  26          1HD2      ASN  26   0.963   1.334   8.381
  208    QB   ASN  26           QB       ASN  26   0.621  -0.867   6.148
  209    QD2  ASN  26           QD2      ASN  26   0.674   0.872   9.072
  210    H    LYS  27           HN       LYS  27   2.813  -2.418   4.573
  211    HA   LYS  27           HA       LYS  27   2.806  -0.475   2.379
  212   1HB   LYS  27          2HB       LYS  27   4.700  -1.378   1.354
  213   2HB   LYS  27          3HB       LYS  27   5.177  -0.939   2.991
  214   1HG   LYS  27          2HG       LYS  27   4.357  -3.739   2.909
  215   2HG   LYS  27          3HG       LYS  27   5.502  -3.403   1.612
  216   1HD   LYS  27          2HD       LYS  27   6.981  -2.290   3.424
  217   2HD   LYS  27          3HD       LYS  27   5.878  -3.014   4.602
  218   1HE   LYS  27          2HE       LYS  27   7.543  -4.514   2.509
  219   2HE   LYS  27          3HE       LYS  27   7.879  -4.407   4.248
  220   1HZ   LYS  27          3HZ       LYS  27   5.508  -5.680   3.150
  221   2HZ   LYS  27          1HZ       LYS  27   6.846  -6.448   3.722
  222   3HZ   LYS  27          2HZ       LYS  27   5.919  -5.539   4.743
  223    QB   LYS  27           QB       LYS  27   4.939  -1.159   2.173
  224    QG   LYS  27           QG       LYS  27   4.929  -3.571   2.260
  225    QD   LYS  27           QD       LYS  27   6.429  -2.652   4.013
  226    QE   LYS  27           QE       LYS  27   7.711  -4.461   3.378
  227    QZ   LYS  27           QZ       LYS  27   6.091  -5.889   3.872
  228    H    CYS  28           HN       CYS  28   2.234  -1.445   0.373
  229    HA   CYS  28           HA       CYS  28   0.496  -3.812   0.593
  230   1HB   CYS  28          2HB       CYS  28  -0.448  -1.695  -0.285
  231   2HB   CYS  28          3HB       CYS  28   0.746  -1.750  -1.591
  232    QB   CYS  28           QB       CYS  28   0.149  -1.723  -0.938
  233    H    ILE  29           HN       ILE  29   1.118  -5.706  -0.296
  234    HA   ILE  29           HA       ILE  29   3.442  -5.683  -2.222
  235    HB   ILE  29           HB       ILE  29   2.366  -8.009  -0.654
  236   1HG1  ILE  29          2HG1      ILE  29   3.451  -6.316   0.848
  237   2HG1  ILE  29          3HG1      ILE  29   4.254  -7.879   0.811
  238   1HG2  ILE  29          1HG2      ILE  29   4.788  -7.798  -2.435
  239   2HG2  ILE  29          2HG2      ILE  29   4.437  -9.143  -1.332
  240   3HG2  ILE  29          3HG2      ILE  29   3.337  -8.791  -2.671
  241   1HD1  ILE  29          1HD1      ILE  29   5.202  -5.494  -0.827
  242   2HD1  ILE  29          2HD1      ILE  29   5.818  -5.934   0.772
  243   3HD1  ILE  29          3HD1      ILE  29   6.037  -7.045  -0.585
  244    QG1  ILE  29           QG1      ILE  29   3.852  -7.098   0.830
  245    QG2  ILE  29           QG2      ILE  29   4.187  -8.577  -2.146
  246    QD1  ILE  29           QD1      ILE  29   5.686  -6.158  -0.213
  247    H    LEU  30           HN       LEU  30   2.816  -5.710  -4.250
  248    HA   LEU  30           HA       LEU  30   0.110  -6.279  -5.124
  249   1HB   LEU  30          2HB       LEU  30   2.635  -5.232  -6.305
  250   2HB   LEU  30          3HB       LEU  30   1.744  -6.328  -7.356
  251    HG   LEU  30           HG       LEU  30  -0.318  -4.975  -7.045
  252   1HD1  LEU  30          3HD1      LEU  30   0.346  -3.889  -4.832
  253   2HD1  LEU  30          1HD1      LEU  30   1.495  -2.914  -5.742
  254   3HD1  LEU  30          2HD1      LEU  30  -0.236  -2.767  -6.073
  255   1HD2  LEU  30          1HD2      LEU  30   2.175  -3.596  -8.103
  256   2HD2  LEU  30          2HD2      LEU  30   1.053  -4.621  -9.011
  257   3HD2  LEU  30          3HD2      LEU  30   0.513  -3.041  -8.414
  258    QB   LEU  30           QB       LEU  30   2.190  -5.780  -6.831
  259    QD1  LEU  30           QD1      LEU  30   0.535  -3.190  -5.549
  260    QD2  LEU  30           QD2      LEU  30   1.247  -3.753  -8.509
  261    QQD  LEU  30           QQD      LEU  30   0.891  -3.471  -7.029
  262    H    GLY  31           HN       GLY  31  -0.607  -8.039  -6.142
  263   1HA   GLY  31          1HA       GLY  31   0.093 -10.522  -5.251
  264   2HA   GLY  31          2HA       GLY  31  -0.784 -10.212  -6.766
  265    QA   GLY  31           QA       GLY  31  -0.346 -10.367  -6.009
  266    H    SER  32           HN       SER  32   1.416 -12.138  -5.833
  267    HA   SER  32           HA       SER  32   3.572 -11.580  -7.821
  268   1HB   SER  32          2HB       SER  32   3.973 -11.983  -5.285
  269   2HB   SER  32          3HB       SER  32   3.612 -13.684  -5.622
  270    HG   SER  32           HG       SER  32   5.629 -12.067  -6.846
  271    QB   SER  32           QB       SER  32   3.793 -12.834  -5.454
  272    H    ASN  33           HN       ASP  33   1.798 -12.106  -9.372
  273    HA   ASN  33           HA       ASP  33   0.559 -13.477 -10.726
  274   1HB   ASN  33          2HB       ASP  33   1.952 -15.092 -11.974
  275   2HB   ASN  33          3HB       ASP  33   2.678 -13.493 -11.800
  276    QB   ASN  33           QB       ASP  33   2.315 -14.292 -11.887
  277    H    GLY  34           HN       GLY  34  -0.025 -14.070  -8.056
  278   1HA   GLY  34          1HA       GLY  34  -1.310 -16.630  -8.223
  279   2HA   GLY  34          2HA       GLY  34   0.140 -16.667  -7.190
  280    QA   GLY  34           QA       GLY  34  -0.585 -16.648  -7.706
  281    H    GLU  35           HN       GLU  35   0.291 -14.939  -5.463
  282    HA   GLU  35           HA       GLU  35  -2.103 -14.661  -3.981
  283   1HB   GLU  35          2HB       GLU  35   0.591 -13.235  -3.798
  284   2HB   GLU  35          3HB       GLU  35  -0.708 -13.040  -2.625
  285   1HG   GLU  35          2HG       GLU  35   0.810 -14.714  -1.769
  286   2HG   GLU  35          3HG       GLU  35  -0.708 -15.509  -2.207
  287    QB   GLU  35           QB       GLU  35  -0.059 -13.138  -3.211
  288    QG   GLU  35           QG       GLU  35   0.051 -15.111  -1.988
  289    H    LYS  36           HN       LYS  36  -3.001 -12.590  -3.243
  290    HA   LYS  36           HA       LYS  36  -3.587 -10.788  -5.535
  291   1HB   LYS  36          2HB       LYS  36  -5.165 -11.308  -2.971
  292   2HB   LYS  36          3HB       LYS  36  -5.617 -10.261  -4.313
  293   1HG   LYS  36          2HG       LYS  36  -6.782 -12.067  -5.021
  294   2HG   LYS  36          3HG       LYS  36  -5.221 -12.496  -5.733
  295   1HD   LYS  36          2HD       LYS  36  -4.914 -13.674  -3.296
  296   2HD   LYS  36          3HD       LYS  36  -6.669 -13.692  -3.347
  297   1HE   LYS  36          2HE       LYS  36  -4.761 -14.798  -5.468
  298   2HE   LYS  36          3HE       LYS  36  -5.549 -15.792  -4.246
  299   1HZ   LYS  36          1HZ       LYS  36  -7.178 -14.176  -6.056
  300   2HZ   LYS  36          2HZ       LYS  36  -6.520 -15.587  -6.587
  301   3HZ   LYS  36          3HZ       LYS  36  -7.547 -15.596  -5.302
  302    QB   LYS  36           QB       LYS  36  -5.391 -10.785  -3.642
  303    QG   LYS  36           QG       LYS  36  -6.002 -12.282  -5.377
  304    QD   LYS  36           QD       LYS  36  -5.791 -13.683  -3.321
  305    QE   LYS  36           QE       LYS  36  -5.155 -15.295  -4.857
  306    QZ   LYS  36           QZ       LYS  36  -7.082 -15.120  -5.982
  307    H    ASN  37           HN       ASN  37  -4.199  -8.516  -4.559
  308    HA   ASN  37           HA       ASN  37  -1.874  -7.306  -3.482
  309   1HB   ASN  37          2HB       ASN  37  -4.552  -6.495  -4.357
  310   2HB   ASN  37          3HB       ASN  37  -4.264  -5.780  -2.778
  311   1HD2  ASN  37          2HD2      ASN  37  -3.079  -3.363  -5.347
  312   2HD2  ASN  37          1HD2      ASN  37  -4.626  -4.049  -4.922
  313    QB   ASN  37           QB       ASN  37  -4.408  -6.138  -3.568
  314    QD2  ASN  37           QD2      ASN  37  -3.853  -3.706  -5.135
  315    H    GLN  38           HN       GLN  38  -1.109  -7.131  -1.391
  316    HA   GLN  38           HA       GLN  38  -3.026  -7.608   0.856
  317   1HB   GLN  38          2HB       GLN  38  -1.294  -8.939   2.002
  318   2HB   GLN  38          3HB       GLN  38  -1.964  -9.671   0.534
  319   1HG   GLN  38          2HG       GLN  38  -0.054  -9.440  -0.729
  320   2HG   GLN  38          3HG       GLN  38   0.580  -8.180   0.332
  321   1HE2  GLN  38          2HE2      GLN  38   2.645 -10.481   1.952
  322   2HE2  GLN  38          1HE2      GLN  38   2.453  -8.903   1.205
  323    QB   GLN  38           QB       GLN  38  -1.629  -9.305   1.268
  324    QG   GLN  38           QG       GLN  38   0.263  -8.810  -0.198
  325    QE2  GLN  38           QE2      GLN  38   2.549  -9.692   1.579
  326    H    CYS  39           HN       CYS  39  -2.968  -5.961   2.400
  327    HA   CYS  39           HA       CYS  39  -0.581  -4.170   2.328
  328   1HB   CYS  39          2HB       CYS  39  -2.630  -2.957   2.269
  329   2HB   CYS  39          3HB       CYS  39  -3.296  -3.893   3.603
  330    QB   CYS  39           QB       CYS  39  -2.963  -3.425   2.936
  331    H    VAL  40           HN       VAL  40   1.063  -4.973   3.494
  332    HA   VAL  40           HA       VAL  40   0.470  -6.364   6.084
  333    HB   VAL  40           HB       VAL  40   2.413  -7.618   5.850
  334   1HG1  VAL  40          1HG1      VAL  40   0.455  -8.253   4.352
  335   2HG1  VAL  40          2HG1      VAL  40   1.363  -7.533   3.000
  336   3HG1  VAL  40          3HG1      VAL  40   2.043  -8.910   3.903
  337   1HG2  VAL  40          2HG2      VAL  40   3.244  -5.907   3.460
  338   2HG2  VAL  40          3HG2      VAL  40   4.015  -5.991   5.055
  339   3HG2  VAL  40          1HG2      VAL  40   4.056  -7.398   3.995
  340    QG1  VAL  40           QG1      VAL  40   1.287  -8.232   3.752
  341    QG2  VAL  40           QG2      VAL  40   3.771  -6.432   4.170
  342    QQG  VAL  40           QQG      VAL  40   2.529  -7.332   3.961
  343    H    THR  41           HN       THR  41   2.022  -5.868   7.871
  344    HA   THR  41           HA       THR  41   2.388  -3.045   7.936
  345    HB   THR  41           HB       THR  41   1.887  -4.744   9.856
  346    HG1  THR  41          1HG       THR  41   2.273  -3.006  11.177
  347   1HG2  THR  41          1HG2      THR  41   4.340  -5.605   9.752
  348   2HG2  THR  41          2HG2      THR  41   4.765  -4.022  10.466
  349   3HG2  THR  41          3HG2      THR  41   3.678  -5.111  11.337
  350    QG2  THR  41           QG2      THR  41   4.261  -4.913  10.518
  351    H    GLY  42           HN       GLY  42   4.596  -2.155   8.832
  352   1HA   GLY  42          1HA       GLY  42   7.015  -2.318   8.832
  353   2HA   GLY  42          2HA       GLY  42   6.961  -3.261   7.334
  354    QA   GLY  42           QA       GLY  42   6.988  -2.789   8.083
  355    H    GLU  43           HN       GLU  43   7.858  -0.345   8.284
  356    HA   GLU  43           HA       GLU  43   6.438   1.494   6.718
  357   1HB   GLU  43          2HB       GLU  43   8.204   1.998   8.478
  358   2HB   GLU  43          3HB       GLU  43   9.445   1.472   7.328
  359   1HG   GLU  43          2HG       GLU  43   8.762   3.310   5.789
  360   2HG   GLU  43          3HG       GLU  43   7.523   3.813   6.960
  361    QB   GLU  43           QB       GLU  43   8.825   1.735   7.903
  362    QG   GLU  43           QG       GLU  43   8.143   3.561   6.374
  363    H    GLY  44           HN       GLY  44   6.488   1.998   4.571
  364   1HA   GLY  44          1HA       GLY  44   8.279   0.513   2.687
  365   2HA   GLY  44          2HA       GLY  44   6.535   0.675   2.410
  366    QA   GLY  44           QA       GLY  44   7.407   0.594   2.548
  367    H    THR  45           HN       THR  45   7.158   1.786   0.426
  368    HA   THR  45           HA       THR  45   8.099   4.581   0.876
  369    HB   THR  45           HB       THR  45   8.686   2.483  -1.133
  370    HG1  THR  45          1HG       THR  45  10.026   4.743  -0.081
  371   1HG2  THR  45          1HG2      THR  45   8.343   5.353  -2.070
  372   2HG2  THR  45          2HG2      THR  45   9.431   4.168  -2.816
  373   3HG2  THR  45          3HG2      THR  45   7.695   3.850  -2.770
  374    QG2  THR  45           QG2      THR  45   8.489   4.457  -2.552
  375    HA   PRO  46           HA       PRO  46   4.037   5.863  -0.496
  376   1HB   PRO  46          2HB       PRO  46   4.523   8.502  -1.087
  377   2HB   PRO  46          3HB       PRO  46   4.347   7.858   0.569
  378   1HG   PRO  46          2HG       PRO  46   6.871   8.564  -0.908
  379   2HG   PRO  46          3HG       PRO  46   6.488   8.777   0.824
  380   1HD   PRO  46          2HD       PRO  46   8.020   6.708  -0.216
  381   2HD   PRO  46          3HD       PRO  46   7.118   6.605   1.322
  382    QB   PRO  46           QB       PRO  46   4.435   8.180  -0.259
  383    QG   PRO  46           QG       PRO  46   6.679   8.671  -0.042
  384    QD   PRO  46           QD       PRO  46   7.569   6.656   0.553
  385    H    LYS  47           HN       LYS  47   2.945   5.789  -2.363
  386    HA   LYS  47           HA       LYS  47   4.224   5.056  -4.698
  387   1HB   LYS  47          2HB       LYS  47   1.968   4.459  -4.366
  388   2HB   LYS  47          3HB       LYS  47   1.431   6.136  -4.227
  389   1HG   LYS  47          2HG       LYS  47   1.774   6.567  -6.557
  390   2HG   LYS  47          3HG       LYS  47   2.704   5.073  -6.779
  391   1HD   LYS  47          2HD       LYS  47   0.819   3.683  -6.454
  392   2HD   LYS  47          3HD       LYS  47  -0.223   5.007  -5.934
  393   1HE   LYS  47          2HE       LYS  47   1.084   5.231  -8.661
  394   2HE   LYS  47          3HE       LYS  47  -0.174   4.006  -8.480
  395   1HZ   LYS  47          1HZ       LYS  47  -0.563   6.848  -7.838
  396   2HZ   LYS  47          2HZ       LYS  47  -1.034   6.114  -9.232
  397   3HZ   LYS  47          3HZ       LYS  47  -1.713   5.665  -7.809
  398    QB   LYS  47           QB       LYS  47   1.700   5.297  -4.297
  399    QG   LYS  47           QG       LYS  47   2.239   5.820  -6.668
  400    QD   LYS  47           QD       LYS  47   0.298   4.345  -6.194
  401    QE   LYS  47           QE       LYS  47   0.455   4.618  -8.570
  402    QZ   LYS  47           QZ       LYS  47  -1.103   6.209  -8.293
  403    HA   PRO  48           HA       PRO  48   5.719   9.043  -6.102
  404   1HB   PRO  48          2HB       PRO  48   6.717   8.276  -8.562
  405   2HB   PRO  48          3HB       PRO  48   7.570   8.061  -7.008
  406   1HG   PRO  48          2HG       PRO  48   6.046   6.019  -8.592
  407   2HG   PRO  48          3HG       PRO  48   7.553   5.808  -7.658
  408   1HD   PRO  48          2HD       PRO  48   5.018   5.122  -6.807
  409   2HD   PRO  48          3HD       PRO  48   6.350   5.485  -5.667
  410    QB   PRO  48           QB       PRO  48   7.144   8.169  -7.785
  411    QG   PRO  48           QG       PRO  48   6.800   5.913  -8.125
  412    QD   PRO  48           QD       PRO  48   5.684   5.304  -6.237
  413    H    GLN  49           HN       GLN  49   4.364  10.553  -6.921
  414    HA   GLN  49           HA       GLN  49   1.927   9.858  -8.249
  415   1HB   GLN  49          2HB       GLN  49   3.173  12.628  -7.985
  416   2HB   GLN  49          3HB       GLN  49   1.487  12.141  -8.081
  417   1HG   GLN  49          2HG       GLN  49   1.546  12.605  -5.874
  418   2HG   GLN  49          3HG       GLN  49   2.032  10.910  -5.761
  419   1HE2  GLN  49          2HE2      GLN  49   4.370  13.435  -3.935
  420   2HE2  GLN  49          1HE2      GLN  49   2.618  13.411  -4.024
  421    QB   GLN  49           QB       GLN  49   2.330  12.385  -8.033
  422    QG   GLN  49           QG       GLN  49   1.789  11.757  -5.817
  423    QE2  GLN  49           QE2      GLN  49   3.494  13.423  -3.980
  424    H    SER  50           HN       SER  50   1.383  10.635 -10.423
  425    HA   SER  50           HA       SER  50   1.704  10.886 -12.636
  426   1HB   SER  50          2HB       SER  50   4.537  11.880 -12.161
  427   2HB   SER  50          3HB       SER  50   3.466  12.177 -13.532
  428    HG   SER  50           HG       SER  50   3.180  13.089 -10.864
  429    QB   SER  50           QB       SER  50   4.002  12.028 -12.847
  430    H    HIS  51           HN       HIS  51   1.535   8.723 -13.239
  431    HA   HIS  51           HA       HIS  51   3.908   7.281 -13.965
  432   1HB   HIS  51          2HB       HIS  51   3.510   6.488 -11.615
  433   2HB   HIS  51          3HB       HIS  51   1.819   6.173 -12.025
  434    HD1  HIS  51           HD1      HIS  51   1.850   3.540 -11.715
  435    HD2  HIS  51           HD2      HIS  51   4.865   5.081 -14.223
  436    HE1  HIS  51           HE1      HIS  51   2.945   1.550 -12.861
  437    QB   HIS  51           QB       HIS  51   2.664   6.330 -11.820
   
  Start of MODEL           6
 Raw file had 437 H/Q atoms
  Start of MODEL    6
    1    H    VAL   1           HN       VAL   1 -10.228  14.357  -0.773
    2    HA   VAL   1           HA       VAL   1  -8.394  13.213  -1.777
    3    HB   VAL   1           HB       VAL   1  -7.587  11.735   0.099
    4   1HG1  VAL   1          2HG1      VAL   1  -7.117  14.175  -0.049
    5   2HG1  VAL   1          3HG1      VAL   1  -8.570  14.498   0.924
    6   3HG1  VAL   1          1HG1      VAL   1  -7.214  13.587   1.617
    7   1HG2  VAL   1          3HG2      VAL   1  -9.878  11.033   1.008
    8   2HG2  VAL   1          1HG2      VAL   1  -8.746  11.666   2.201
    9   3HG2  VAL   1          2HG2      VAL   1 -10.065  12.690   1.610
   10    QG1  VAL   1           QG1      VAL   1  -7.634  14.087   0.830
   11    QG2  VAL   1           QG2      VAL   1  -9.563  11.796   1.606
   12    QQG  VAL   1           QQG      VAL   1  -8.598  12.942   1.218
   13    H    VAL   2           HN       VAL   2  -9.120  12.209  -3.715
   14    HA   VAL   2           HA       VAL   2 -10.269   9.519  -3.594
   15    HB   VAL   2           HB       VAL   2  -9.166  11.146  -5.923
   16   1HG1  VAL   2          2HG1      VAL   2  -9.282   8.660  -6.332
   17   2HG1  VAL   2          3HG1      VAL   2 -11.021   8.731  -5.967
   18   3HG1  VAL   2          1HG1      VAL   2 -10.354   9.614  -7.358
   19   1HG2  VAL   2          2HG2      VAL   2 -11.929  10.930  -4.677
   20   2HG2  VAL   2          3HG2      VAL   2 -11.027  12.391  -5.136
   21   3HG2  VAL   2          1HG2      VAL   2 -11.723  11.354  -6.387
   22    QG1  VAL   2           QG1      VAL   2 -10.219   9.002  -6.552
   23    QG2  VAL   2           QG2      VAL   2 -11.560  11.558  -5.400
   24    QQG  VAL   2           QQG      VAL   2 -10.889  10.280  -5.976
   25    OH   TYR   3           OH       TYR   3  -4.341   9.021   1.949
   26    H    TYR   3           HN       TYR   3  -9.066   7.665  -3.556
   27    HA   TYR   3           HA       TYR   3  -6.100   7.827  -3.859
   28   1HB   TYR   3          2HB       TYR   3  -7.915   6.139  -2.132
   29   2HB   TYR   3          3HB       TYR   3  -6.299   5.572  -2.560
   30    HD1  TYR   3           HD2      TYR   3  -4.342   7.331  -2.273
   31    HD2  TYR   3           HD1      TYR   3  -7.993   7.139   0.023
   32    HE1  TYR   3           HE2      TYR   3  -3.221   8.473  -0.403
   33    HE2  TYR   3           HE1      TYR   3  -6.830   8.197   1.940
   34    HH   TYR   3           HH       TYR   3  -3.440   9.290   1.755
   35    QB   TYR   3           QB       TYR   3  -7.107   5.855  -2.346
   36    QR   TYR   3           QR       TYR   3  -5.597   7.785  -0.178
   37    H    THR   4           HN       THR   4  -5.254   5.492  -4.549
   38    HA   THR   4           HA       THR   4  -6.917   4.256  -6.636
   39    HB   THR   4           HB       THR   4  -5.171   4.531  -8.337
   40    HG1  THR   4          1HG       THR   4  -3.911   5.998  -6.268
   41   1HG2  THR   4          2HG2      THR   4  -6.964   6.322  -8.102
   42   2HG2  THR   4          3HG2      THR   4  -5.764   7.311  -7.244
   43   3HG2  THR   4          1HG2      THR   4  -5.475   6.825  -8.924
   44    QG2  THR   4           QG2      THR   4  -6.068   6.819  -8.090
   45    H    ASP   5           HN       ASP   5  -5.752   2.224  -7.501
   46    HA   ASP   5           HA       ASP   5  -4.811   0.719  -5.332
   47   1HB   ASP   5          2HB       ASP   5  -4.778   0.228  -8.340
   48   2HB   ASP   5          3HB       ASP   5  -4.275  -0.990  -7.163
   49    QB   ASP   5           QB       ASP   5  -4.527  -0.381  -7.751
   50    H    CYS   6           HN       CYS   6  -2.668  -0.707  -5.609
   51    HA   CYS   6           HA       CYS   6  -0.522   1.337  -5.702
   52   1HB   CYS   6          2HB       CYS   6  -0.496  -1.525  -4.741
   53   2HB   CYS   6          3HB       CYS   6   0.951  -0.513  -4.902
   54    QB   CYS   6           QB       CYS   6   0.228  -1.019  -4.822
   55    H    THR   7           HN       THR   7   1.400   1.133  -6.933
   56    HA   THR   7           HA       THR   7   0.940  -0.120  -9.565
   57    HB   THR   7           HB       THR   7   2.868   1.586 -10.029
   58    HG1  THR   7          1HG       THR   7   3.084   3.144  -8.506
   59   1HG2  THR   7          1HG2      THR   7  -0.037   2.245  -9.330
   60   2HG2  THR   7          2HG2      THR   7   1.054   3.426 -10.096
   61   3HG2  THR   7          3HG2      THR   7   0.658   1.900 -10.908
   62    QG2  THR   7           QG2      THR   7   0.558   2.524 -10.111
   63    H    GLU   8           HN       GLU   8   3.242  -0.138  -6.824
   64    HA   GLU   8           HA       GLU   8   4.627  -2.441  -8.078
   65   1HB   GLU   8          2HB       GLU   8   6.778  -1.538  -7.231
   66   2HB   GLU   8          3HB       GLU   8   6.070  -0.465  -8.449
   67   1HG   GLU   8          2HG       GLU   8   5.295   1.059  -6.764
   68   2HG   GLU   8          3HG       GLU   8   5.759  -0.048  -5.453
   69    QB   GLU   8           QB       GLU   8   6.424  -1.001  -7.840
   70    QG   GLU   8           QG       GLU   8   5.527   0.505  -6.108
   71    H    SER   9           HN       SER   9   5.739  -3.759  -6.449
   72    HA   SER   9           HA       SER   9   4.146  -4.015  -4.047
   73   1HB   SER   9          2HB       SER   9   6.397  -5.589  -5.332
   74   2HB   SER   9          3HB       SER   9   5.946  -5.901  -3.652
   75    HG   SER   9           HG       SER   9   4.739  -7.150  -5.268
   76    QB   SER   9           QB       SER   9   6.172  -5.745  -4.492
   77    H    GLY  10           HN       GLY  10   4.645  -3.476  -2.013
   78   1HA   GLY  10          1HA       GLY  10   6.117  -3.199  -0.184
   79   2HA   GLY  10          2HA       GLY  10   7.460  -2.824  -1.266
   80    QA   GLY  10           QA       GLY  10   6.789  -3.012  -0.725
   81    H    GLN  11           HN       GLN  11   4.231  -1.411  -1.704
   82    HA   GLN  11           HA       GLN  11   5.369   1.204  -0.939
   83   1HB   GLN  11          2HB       GLN  11   4.702   0.271  -3.534
   84   2HB   GLN  11          3HB       GLN  11   3.258   1.156  -3.032
   85   1HG   GLN  11          2HG       GLN  11   4.650   3.181  -2.669
   86   2HG   GLN  11          3HG       GLN  11   6.096   2.260  -3.141
   87   1HE2  GLN  11          2HE2      GLN  11   3.415   2.710  -6.250
   88   2HE2  GLN  11          1HE2      GLN  11   2.823   2.166  -4.684
   89    QB   GLN  11           QB       GLN  11   3.980   0.714  -3.283
   90    QG   GLN  11           QG       GLN  11   5.373   2.721  -2.905
   91    QE2  GLN  11           QE2      GLN  11   3.119   2.438  -5.467
   92    H    ASN  12           HN       ASN  12   3.862   2.834  -0.292
   93    HA   ASN  12           HA       ASN  12   1.240   1.759   0.706
   94   1HB   ASN  12          2HB       ASN  12   1.542   2.746   2.849
   95   2HB   ASN  12          3HB       ASN  12   2.966   1.802   2.462
   96   1HD2  ASN  12          2HD2      ASN  12   5.128   4.429   3.177
   97   2HD2  ASN  12          1HD2      ASN  12   4.700   2.735   3.293
   98    QB   ASN  12           QB       ASN  12   2.254   2.274   2.656
   99    QD2  ASN  12           QD2      ASN  12   4.914   3.582   3.235
  100    H    LEU  13           HN       LEU  13  -0.031   3.780   1.650
  101    HA   LEU  13           HA       LEU  13  -1.454   5.389   1.010
  102   1HB   LEU  13          2HB       LEU  13   1.055   6.568  -0.244
  103   2HB   LEU  13          3HB       LEU  13  -0.512   7.343  -0.405
  104    HG   LEU  13           HG       LEU  13   0.810   6.733   2.265
  105   1HD1  LEU  13          2HD1      LEU  13   0.434   9.305   0.665
  106   2HD1  LEU  13          3HD1      LEU  13   1.114   9.199   2.306
  107   3HD1  LEU  13          1HD1      LEU  13   1.972   8.458   0.940
  108   1HD2  LEU  13          2HD2      LEU  13  -1.801   8.056   1.451
  109   2HD2  LEU  13          3HD2      LEU  13  -1.560   6.794   2.677
  110   3HD2  LEU  13          1HD2      LEU  13  -1.015   8.442   2.991
  111    QB   LEU  13           QB       LEU  13   0.271   6.955  -0.324
  112    QD1  LEU  13           QD1      LEU  13   1.173   8.987   1.304
  113    QD2  LEU  13           QD2      LEU  13  -1.459   7.764   2.373
  114    QQD  LEU  13           QQD      LEU  13  -0.143   8.376   1.839
  115    H    CYS  14           HN       CYS  14  -1.785   3.082  -0.207
  116    HA   CYS  14           HA       CYS  14  -3.262   3.989  -2.486
  117   1HB   CYS  14          2HB       CYS  14  -2.223   2.172  -4.015
  118   2HB   CYS  14          3HB       CYS  14  -1.525   3.762  -3.817
  119    QB   CYS  14           QB       CYS  14  -1.874   2.967  -3.916
  120    H    LEU  15           HN       LEU  15  -4.823   2.530  -3.176
  121    HA   LEU  15           HA       LEU  15  -6.120   1.155  -0.951
  122   1HB   LEU  15          2HB       LEU  15  -6.788   1.220  -3.932
  123   2HB   LEU  15          3HB       LEU  15  -7.895   0.799  -2.598
  124    HG   LEU  15           HG       LEU  15  -6.744   3.531  -3.207
  125   1HD1  LEU  15          2HD1      LEU  15  -9.597   2.516  -3.071
  126   2HD1  LEU  15          3HD1      LEU  15  -9.104   4.198  -3.354
  127   3HD1  LEU  15          1HD1      LEU  15  -8.693   2.950  -4.543
  128   1HD2  LEU  15          3HD2      LEU  15  -8.115   2.447  -0.739
  129   2HD2  LEU  15          1HD2      LEU  15  -6.674   3.477  -0.850
  130   3HD2  LEU  15          2HD2      LEU  15  -8.276   4.156  -1.155
  131    QB   LEU  15           QB       LEU  15  -7.341   1.009  -3.265
  132    QD1  LEU  15           QD1      LEU  15  -9.131   3.221  -3.656
  133    QD2  LEU  15           QD2      LEU  15  -7.688   3.360  -0.914
  134    QQD  LEU  15           QQD      LEU  15  -8.410   3.291  -2.285
  135    H    CYS  16           HN       CYS  16  -6.054  -0.915  -0.345
  136    HA   CYS  16           HA       CYS  16  -4.485  -2.734  -2.213
  137   1HB   CYS  16          2HB       CYS  16  -3.099  -1.688  -0.389
  138   2HB   CYS  16          3HB       CYS  16  -4.148  -2.488   0.781
  139    QB   CYS  16           QB       CYS  16  -3.624  -2.088   0.196
  140    H    GLU  17           HN       GLU  17  -6.198  -2.720   0.865
  141    HA   GLU  17           HA       GLU  17  -7.736  -5.145   0.014
  142   1HB   GLU  17          2HB       GLU  17  -6.995  -4.013   2.719
  143   2HB   GLU  17          3HB       GLU  17  -8.469  -4.966   2.497
  144   1HG   GLU  17          2HG       GLU  17  -6.881  -6.553   3.158
  145   2HG   GLU  17          3HG       GLU  17  -7.045  -6.790   1.419
  146    QB   GLU  17           QB       GLU  17  -7.732  -4.489   2.608
  147    QG   GLU  17           QG       GLU  17  -6.963  -6.671   2.289
  148    H    ASP  18           HN       GLY  18  -9.031  -4.087  -1.466
  149   1HA   ASP  18          1HA       GLY  18 -11.033  -3.114  -2.093
  150   2HA   ASP  18          2HA       GLY  18 -11.468  -3.027  -0.376
  151    QA   ASP  18           QA       GLY  18 -11.251  -3.071  -1.234
  152    H    SER  19           HN       SER  19 -12.074  -0.931  -0.030
  153    HA   SER  19           HA       SER  19 -10.679   1.282  -1.381
  154   1HB   SER  19          2HB       SER  19 -13.216   1.112  -1.093
  155   2HB   SER  19          3HB       SER  19 -12.971   1.369   0.642
  156    HG   SER  19           HG       SER  19 -12.120   3.157  -1.409
  157    QB   SER  19           QB       SER  19 -13.093   1.241  -0.226
  158    H    ASN  20           HN       ASN  20  -9.832  -0.566   1.272
  159    HA   ASN  20           HA       ASN  20  -9.207   1.668   3.072
  160   1HB   ASN  20          2HB       ASN  20  -8.243  -1.177   3.294
  161   2HB   ASN  20          3HB       ASN  20  -8.290   0.071   4.531
  162   1HD2  ASN  20          2HD2      ASN  20 -11.646  -2.150   3.783
  163   2HD2  ASN  20          1HD2      ASN  20 -10.193  -2.318   2.800
  164    QB   ASN  20           QB       ASN  20  -8.267  -0.553   3.912
  165    QD2  ASN  20           QD2      ASN  20 -10.919  -2.234   3.291
  166    H    VAL  21           HN       VAL  21  -7.487   2.886   2.718
  167    HA   VAL  21           HA       VAL  21  -5.441   2.207   0.778
  168    HB   VAL  21           HB       VAL  21  -6.337   4.537   1.232
  169   1HG1  VAL  21          3HG1      VAL  21  -6.161   4.536   3.717
  170   2HG1  VAL  21          1HG1      VAL  21  -4.387   4.509   3.571
  171   3HG1  VAL  21          2HG1      VAL  21  -5.308   5.885   2.947
  172   1HG2  VAL  21          1HG2      VAL  21  -3.354   4.005   1.221
  173   2HG2  VAL  21          2HG2      VAL  21  -4.438   4.200  -0.180
  174   3HG2  VAL  21          3HG2      VAL  21  -4.093   5.580   0.866
  175    QG1  VAL  21           QG1      VAL  21  -5.285   4.977   3.411
  176    QG2  VAL  21           QG2      VAL  21  -3.962   4.595   0.636
  177    QQG  VAL  21           QQG      VAL  21  -4.623   4.786   2.023
  178    H    CYS  22           HN       CYS  22  -3.412   1.340   1.152
  179    HA   CYS  22           HA       CYS  22  -2.835   0.290   3.820
  180   1HB   CYS  22          2HB       CYS  22  -2.146  -0.764   1.606
  181   2HB   CYS  22          3HB       CYS  22  -0.890   0.476   1.504
  182    QB   CYS  22           QB       CYS  22  -1.518  -0.144   1.555
  183    H    GLY  23           HN       GLY  23  -2.752   2.013   5.213
  184   1HA   GLY  23          1HA       GLY  23  -1.526   4.521   4.759
  185   2HA   GLY  23          2HA       GLY  23  -1.933   3.824   6.332
  186    QA   GLY  23           QA       GLY  23  -1.730   4.173   5.545
  187    H    GLN  24           HN       GLN  24   0.264   5.438   6.122
  188    HA   GLN  24           HA       GLN  24   2.700   4.190   5.667
  189   1HB   GLN  24          2HB       GLN  24   1.722   6.678   6.751
  190   2HB   GLN  24          3HB       GLN  24   2.962   6.091   7.849
  191   1HG   GLN  24          2HG       GLN  24   4.619   6.024   6.140
  192   2HG   GLN  24          3HG       GLN  24   3.422   6.174   4.839
  193   1HE2  GLN  24          2HE2      GLN  24   5.124   9.526   5.786
  194   2HE2  GLN  24          1HE2      GLN  24   5.851   7.931   5.839
  195    QB   GLN  24           QB       GLN  24   2.342   6.384   7.300
  196    QG   GLN  24           QG       GLN  24   4.021   6.099   5.490
  197    QE2  GLN  24           QE2      GLN  24   5.488   8.729   5.812
  198    H    GLY  25           HN       GLY  25   4.332   3.412   7.183
  199   1HA   GLY  25          1HA       GLY  25   5.060   2.165   8.995
  200   2HA   GLY  25          2HA       GLY  25   3.473   2.267   9.758
  201    QA   GLY  25           QA       GLY  25   4.267   2.216   9.377
  202    H    ASN  26           HN       ASN  26   2.825   1.443   6.643
  203    HA   ASN  26           HA       ASN  26   3.129  -1.458   6.851
  204   1HB   ASN  26          2HB       ASN  26   0.592  -0.054   5.880
  205   2HB   ASN  26          3HB       ASN  26   0.820  -1.766   6.185
  206   1HD2  ASN  26          2HD2      ASN  26  -1.269  -0.903   8.960
  207   2HD2  ASN  26          1HD2      ASN  26  -1.355  -1.333   7.257
  208    QB   ASN  26           QB       ASN  26   0.706  -0.910   6.033
  209    QD2  ASN  26           QD2      ASN  26  -1.312  -1.118   8.109
  210    H    LYS  27           HN       LYS  27   2.694  -2.400   4.538
  211    HA   LYS  27           HA       LYS  27   2.913  -0.480   2.362
  212   1HB   LYS  27          2HB       LYS  27   4.912  -1.336   1.530
  213   2HB   LYS  27          3HB       LYS  27   5.234  -0.948   3.218
  214   1HG   LYS  27          2HG       LYS  27   4.440  -3.526   3.437
  215   2HG   LYS  27          3HG       LYS  27   5.122  -3.576   1.802
  216   1HD   LYS  27          2HD       LYS  27   7.311  -3.166   2.619
  217   2HD   LYS  27          3HD       LYS  27   6.717  -2.400   4.106
  218   1HE   LYS  27          2HE       LYS  27   5.804  -4.549   4.918
  219   2HE   LYS  27          3HE       LYS  27   6.376  -5.370   3.453
  220   1HZ   LYS  27          3HZ       LYS  27   8.627  -4.778   4.157
  221   2HZ   LYS  27          1HZ       LYS  27   8.026  -4.088   5.529
  222   3HZ   LYS  27          2HZ       LYS  27   7.843  -5.702   5.275
  223    QB   LYS  27           QB       LYS  27   5.073  -1.142   2.374
  224    QG   LYS  27           QG       LYS  27   4.781  -3.551   2.619
  225    QD   LYS  27           QD       LYS  27   7.014  -2.783   3.362
  226    QE   LYS  27           QE       LYS  27   6.090  -4.959   4.186
  227    QZ   LYS  27           QZ       LYS  27   8.165  -4.856   4.987
  228    H    CYS  28           HN       CYS  28   2.242  -1.465   0.382
  229    HA   CYS  28           HA       CYS  28   0.700  -3.978   0.675
  230   1HB   CYS  28          2HB       CYS  28  -0.571  -1.895   0.099
  231   2HB   CYS  28          3HB       CYS  28   0.493  -1.761  -1.304
  232    QB   CYS  28           QB       CYS  28  -0.039  -1.828  -0.602
  233    H    ILE  29           HN       ILE  29   1.242  -5.719  -0.421
  234    HA   ILE  29           HA       ILE  29   3.335  -5.428  -2.571
  235    HB   ILE  29           HB       ILE  29   2.528  -7.799  -0.908
  236   1HG1  ILE  29          2HG1      ILE  29   4.922  -7.717  -0.255
  237   2HG1  ILE  29          3HG1      ILE  29   5.053  -6.127  -1.036
  238   1HG2  ILE  29          1HG2      ILE  29   3.094  -8.500  -3.235
  239   2HG2  ILE  29          2HG2      ILE  29   4.686  -7.737  -3.019
  240   3HG2  ILE  29          3HG2      ILE  29   4.203  -9.094  -2.004
  241   1HD1  ILE  29          1HD1      ILE  29   3.060  -6.689   1.190
  242   2HD1  ILE  29          2HD1      ILE  29   4.752  -6.266   1.520
  243   3HD1  ILE  29          3HD1      ILE  29   3.725  -5.122   0.666
  244    QG1  ILE  29           QG1      ILE  29   4.987  -6.922  -0.646
  245    QG2  ILE  29           QG2      ILE  29   3.994  -8.443  -2.752
  246    QD1  ILE  29           QD1      ILE  29   3.846  -6.026   1.125
  247    H    LEU  30           HN       LEU  30   2.767  -5.711  -4.667
  248    HA   LEU  30           HA       LEU  30  -0.030  -6.055  -5.404
  249   1HB   LEU  30          2HB       LEU  30   2.595  -5.605  -6.824
  250   2HB   LEU  30          3HB       LEU  30   1.349  -6.441  -7.738
  251    HG   LEU  30           HG       LEU  30   1.454  -3.963  -8.061
  252   1HD1  LEU  30          2HD1      LEU  30  -1.182  -5.184  -7.130
  253   2HD1  LEU  30          3HD1      LEU  30  -1.028  -3.643  -7.991
  254   3HD1  LEU  30          1HD1      LEU  30  -0.518  -5.148  -8.774
  255   1HD2  LEU  30          2HD2      LEU  30   1.821  -3.463  -5.596
  256   2HD2  LEU  30          3HD2      LEU  30   0.642  -2.473  -6.456
  257   3HD2  LEU  30          1HD2      LEU  30   0.083  -3.752  -5.358
  258    QB   LEU  30           QB       LEU  30   1.972  -6.023  -7.281
  259    QD1  LEU  30           QD1      LEU  30  -0.910  -4.658  -7.965
  260    QD2  LEU  30           QD2      LEU  30   0.849  -3.229  -5.804
  261    QQD  LEU  30           QQD      LEU  30  -0.031  -3.944  -6.884
  262    H    GLY  31           HN       GLY  31  -0.972  -7.839  -6.312
  263   1HA   GLY  31          1HA       GLY  31  -0.394 -10.330  -5.277
  264   2HA   GLY  31          2HA       GLY  31  -1.330 -10.046  -6.752
  265    QA   GLY  31           QA       GLY  31  -0.862 -10.188  -6.015
  266    H    SER  32           HN       SER  32   0.857 -11.992  -5.807
  267    HA   SER  32           HA       SER  32   2.892 -11.727  -7.925
  268   1HB   SER  32          2HB       SER  32   3.337 -12.479  -5.504
  269   2HB   SER  32          3HB       SER  32   2.587 -14.018  -5.941
  270    HG   SER  32           HG       SER  32   4.364 -13.340  -7.847
  271    QB   SER  32           QB       SER  32   2.962 -13.249  -5.722
  272    H    ASN  33           HN       ASP  33   0.946 -11.721  -9.353
  273    HA   ASN  33           HA       ASP  33  -0.507 -12.698 -10.851
  274   1HB   ASN  33          2HB       ASP  33   0.691 -14.289 -12.383
  275   2HB   ASN  33          3HB       ASP  33   1.465 -12.738 -12.093
  276    QB   ASN  33           QB       ASP  33   1.078 -13.514 -12.238
  277    H    GLY  34           HN       GLY  34  -1.220 -13.552  -8.391
  278   1HA   GLY  34          1HA       GLY  34  -2.829 -15.856  -8.905
  279   2HA   GLY  34          2HA       GLY  34  -1.428 -16.290  -7.896
  280    QA   GLY  34           QA       GLY  34  -2.129 -16.073  -8.400
  281    H    GLU  35           HN       GLU  35  -1.019 -14.735  -5.955
  282    HA   GLU  35           HA       GLU  35  -3.328 -14.317  -4.378
  283   1HB   GLU  35          2HB       GLU  35  -0.524 -13.117  -4.241
  284   2HB   GLU  35          3HB       GLU  35  -1.768 -12.863  -3.018
  285   1HG   GLU  35          2HG       GLU  35  -0.328 -14.664  -2.282
  286   2HG   GLU  35          3HG       GLU  35  -1.943 -15.305  -2.634
  287    QB   GLU  35           QB       GLU  35  -1.146 -12.990  -3.630
  288    QG   GLU  35           QG       GLU  35  -1.135 -14.984  -2.458
  289    H    LYS  36           HN       LYS  36  -4.063 -12.273  -3.501
  290    HA   LYS  36           HA       LYS  36  -4.392 -10.154  -5.569
  291   1HB   LYS  36          2HB       LYS  36  -5.984 -10.736  -3.035
  292   2HB   LYS  36          3HB       LYS  36  -6.359  -9.516  -4.251
  293   1HG   LYS  36          2HG       LYS  36  -6.393 -12.542  -4.668
  294   2HG   LYS  36          3HG       LYS  36  -7.800 -11.489  -4.482
  295   1HD   LYS  36          2HD       LYS  36  -7.185 -10.286  -6.590
  296   2HD   LYS  36          3HD       LYS  36  -5.739 -11.290  -6.738
  297   1HE   LYS  36          2HE       LYS  36  -7.253 -12.144  -8.274
  298   2HE   LYS  36          3HE       LYS  36  -7.071 -13.336  -6.983
  299   1HZ   LYS  36          2HZ       LYS  36  -9.300 -11.405  -7.094
  300   2HZ   LYS  36          3HZ       LYS  36  -9.365 -12.887  -7.802
  301   3HZ   LYS  36          1HZ       LYS  36  -9.196 -12.768  -6.171
  302    QB   LYS  36           QB       LYS  36  -6.171 -10.126  -3.643
  303    QG   LYS  36           QG       LYS  36  -7.097 -12.015  -4.575
  304    QD   LYS  36           QD       LYS  36  -6.462 -10.788  -6.664
  305    QE   LYS  36           QE       LYS  36  -7.162 -12.740  -7.629
  306    QZ   LYS  36           QZ       LYS  36  -9.287 -12.353  -7.022
  307    H    ASN  37           HN       ASN  37  -4.698  -7.973  -4.443
  308    HA   ASN  37           HA       ASN  37  -2.238  -7.029  -3.548
  309   1HB   ASN  37          2HB       ASN  37  -5.012  -5.972  -2.912
  310   2HB   ASN  37          3HB       ASN  37  -3.529  -5.006  -2.930
  311   1HD2  ASN  37          2HD2      ASN  37  -3.732  -4.454  -6.439
  312   2HD2  ASN  37          1HD2      ASN  37  -2.871  -4.115  -4.951
  313    QB   ASN  37           QB       ASN  37  -4.270  -5.489  -2.921
  314    QD2  ASN  37           QD2      ASN  37  -3.301  -4.285  -5.695
  315    H    GLN  38           HN       GLN  38  -1.229  -6.967  -1.523
  316    HA   GLN  38           HA       GLN  38  -2.835  -7.775   0.886
  317   1HB   GLN  38          2HB       GLN  38  -0.858  -9.122   1.588
  318   2HB   GLN  38          3HB       GLN  38  -1.774  -9.759   0.218
  319   1HG   GLN  38          2HG       GLN  38  -0.095  -9.570  -1.278
  320   2HG   GLN  38          3HG       GLN  38   0.508  -8.092  -0.566
  321   1HE2  GLN  38          2HE2      GLN  38   2.026 -11.690   0.700
  322   2HE2  GLN  38          1HE2      GLN  38   0.613 -11.649  -0.341
  323    QB   GLN  38           QB       GLN  38  -1.316  -9.441   0.903
  324    QG   GLN  38           QG       GLN  38   0.207  -8.831  -0.922
  325    QE2  GLN  38           QE2      GLN  38   1.319 -11.669   0.179
  326    H    CYS  39           HN       CYS  39  -2.818  -6.072   2.274
  327    HA   CYS  39           HA       CYS  39  -0.437  -4.308   2.292
  328   1HB   CYS  39          2HB       CYS  39  -2.568  -3.138   2.217
  329   2HB   CYS  39          3HB       CYS  39  -3.190  -4.105   3.553
  330    QB   CYS  39           QB       CYS  39  -2.879  -3.621   2.885
  331    H    VAL  40           HN       VAL  40   1.186  -4.927   3.615
  332    HA   VAL  40           HA       VAL  40   0.469  -6.304   6.178
  333    HB   VAL  40           HB       VAL  40   2.253  -7.735   6.001
  334   1HG1  VAL  40          1HG1      VAL  40   0.356  -8.230   4.394
  335   2HG1  VAL  40          2HG1      VAL  40   1.340  -7.515   3.098
  336   3HG1  VAL  40          3HG1      VAL  40   1.909  -8.961   3.944
  337   1HG2  VAL  40          1HG2      VAL  40   3.361  -6.039   3.731
  338   2HG2  VAL  40          2HG2      VAL  40   4.078  -6.318   5.337
  339   3HG2  VAL  40          3HG2      VAL  40   3.976  -7.645   4.175
  340    QG1  VAL  40           QG1      VAL  40   1.202  -8.235   3.812
  341    QG2  VAL  40           QG2      VAL  40   3.805  -6.667   4.415
  342    QQG  VAL  40           QQG      VAL  40   2.503  -7.451   4.113
  343    H    THR  41           HN       THR  41   1.901  -5.840   7.972
  344    HA   THR  41           HA       THR  41   2.433  -3.020   8.071
  345    HB   THR  41           HB       THR  41   1.537  -4.084   9.983
  346    HG1  THR  41          1HG       THR  41   2.883  -2.282  10.308
  347   1HG2  THR  41          1HG2      THR  41   4.114  -5.703  10.044
  348   2HG2  THR  41          2HG2      THR  41   2.985  -5.555  11.407
  349   3HG2  THR  41          3HG2      THR  41   2.448  -6.317   9.903
  350    QG2  THR  41           QG2      THR  41   3.182  -5.858  10.451
  351    H    GLY  42           HN       GLY  42   4.531  -2.088   8.838
  352   1HA   GLY  42          1HA       GLY  42   6.980  -2.303   8.949
  353   2HA   GLY  42          2HA       GLY  42   6.910  -3.289   7.478
  354    QA   GLY  42           QA       GLY  42   6.945  -2.796   8.214
  355    H    GLU  43           HN       GLU  43   7.646  -0.178   8.413
  356    HA   GLU  43           HA       GLU  43   6.416   1.525   6.665
  357   1HB   GLU  43          2HB       GLU  43   9.335   1.312   7.521
  358   2HB   GLU  43          3HB       GLU  43   8.773   2.594   6.450
  359   1HG   GLU  43          2HG       GLU  43   8.744   3.488   8.650
  360   2HG   GLU  43          3HG       GLU  43   7.073   3.275   8.147
  361    QB   GLU  43           QB       GLU  43   9.054   1.953   6.985
  362    QG   GLU  43           QG       GLU  43   7.908   3.381   8.399
  363    H    GLY  44           HN       GLY  44   6.759   2.251   4.564
  364   1HA   GLY  44          1HA       GLY  44   8.389   0.702   2.682
  365   2HA   GLY  44          2HA       GLY  44   6.628   0.690   2.425
  366    QA   GLY  44           QA       GLY  44   7.508   0.696   2.554
  367    H    THR  45           HN       THR  45   8.046   1.798   0.450
  368    HA   THR  45           HA       THR  45   8.449   4.619   0.750
  369    HB   THR  45           HB       THR  45   8.139   2.851  -1.712
  370    HG1  THR  45          1HG       THR  45  10.444   2.877  -1.534
  371   1HG2  THR  45          1HG2      THR  45   7.964   5.272  -2.297
  372   2HG2  THR  45          2HG2      THR  45   9.497   5.575  -1.440
  373   3HG2  THR  45          3HG2      THR  45   9.466   4.547  -2.883
  374    QG2  THR  45           QG2      THR  45   8.976   5.131  -2.207
  375    HA   PRO  46           HA       PRO  46   4.077   5.665   0.168
  376   1HB   PRO  46          2HB       PRO  46   4.251   8.353  -0.303
  377   2HB   PRO  46          3HB       PRO  46   4.514   7.627   1.305
  378   1HG   PRO  46          2HG       PRO  46   6.595   8.452  -0.743
  379   2HG   PRO  46          3HG       PRO  46   6.589   8.813   1.007
  380   1HD   PRO  46          2HD       PRO  46   8.019   6.755  -0.081
  381   2HD   PRO  46          3HD       PRO  46   7.287   6.618   1.543
  382    QB   PRO  46           QB       PRO  46   4.383   7.990   0.501
  383    QG   PRO  46           QG       PRO  46   6.592   8.632   0.132
  384    QD   PRO  46           QD       PRO  46   7.653   6.687   0.731
  385    H    LYS  47           HN       LYS  47   2.766   5.612  -1.631
  386    HA   LYS  47           HA       LYS  47   3.840   5.086  -4.117
  387   1HB   LYS  47          2HB       LYS  47   1.671   4.360  -3.575
  388   2HB   LYS  47          3HB       LYS  47   1.034   6.003  -3.425
  389   1HG   LYS  47          2HG       LYS  47   1.338   6.414  -5.808
  390   2HG   LYS  47          3HG       LYS  47   2.242   4.899  -6.000
  391   1HD   LYS  47          2HD       LYS  47   0.144   3.685  -5.284
  392   2HD   LYS  47          3HD       LYS  47  -0.710   5.250  -5.341
  393   1HE   LYS  47          2HE       LYS  47   0.515   5.179  -7.832
  394   2HE   LYS  47          3HE       LYS  47   0.334   3.451  -7.483
  395   1HZ   LYS  47          3HZ       LYS  47  -1.978   5.304  -7.443
  396   2HZ   LYS  47          1HZ       LYS  47  -1.534   4.342  -8.702
  397   3HZ   LYS  47          2HZ       LYS  47  -1.980   3.692  -7.276
  398    QB   LYS  47           QB       LYS  47   1.352   5.181  -3.500
  399    QG   LYS  47           QG       LYS  47   1.790   5.657  -5.904
  400    QD   LYS  47           QD       LYS  47  -0.283   4.467  -5.312
  401    QE   LYS  47           QE       LYS  47   0.425   4.315  -7.658
  402    QZ   LYS  47           QZ       LYS  47  -1.830   4.446  -7.807
  403    HA   PRO  48           HA       PRO  48   4.708   9.349  -5.411
  404   1HB   PRO  48          2HB       PRO  48   6.286   8.820  -7.571
  405   2HB   PRO  48          3HB       PRO  48   6.863   8.616  -5.891
  406   1HG   PRO  48          2HG       PRO  48   5.897   6.489  -7.799
  407   2HG   PRO  48          3HG       PRO  48   7.285   6.433  -6.676
  408   1HD   PRO  48          2HD       PRO  48   4.736   5.397  -6.195
  409   2HD   PRO  48          3HD       PRO  48   5.926   5.807  -4.914
  410    QB   PRO  48           QB       PRO  48   6.575   8.718  -6.731
  411    QG   PRO  48           QG       PRO  48   6.591   6.461  -7.238
  412    QD   PRO  48           QD       PRO  48   5.331   5.602  -5.554
  413    H    GLN  49           HN       GLN  49   4.327  10.500  -7.486
  414    HA   GLN  49           HA       GLN  49   1.793   9.625  -8.672
  415   1HB   GLN  49          2HB       GLN  49   3.201  12.165  -8.150
  416   2HB   GLN  49          3HB       GLN  49   2.633  12.089  -9.813
  417   1HG   GLN  49          2HG       GLN  49   0.854  11.425  -7.418
  418   2HG   GLN  49          3HG       GLN  49   0.982  13.046  -8.115
  419   1HE2  GLN  49          2HE2      GLN  49  -0.470  12.204 -11.325
  420   2HE2  GLN  49          1HE2      GLN  49   0.651  13.229 -10.537
  421    QB   GLN  49           QB       GLN  49   2.917  12.127  -8.981
  422    QG   GLN  49           QG       GLN  49   0.918  12.236  -7.767
  423    QE2  GLN  49           QE2      GLN  49   0.090  12.716 -10.931
  424    H    SER  50           HN       SER  50   1.463   9.740 -11.015
  425    HA   SER  50           HA       SER  50   3.772   8.538 -12.486
  426   1HB   SER  50          2HB       SER  50   1.866   7.811 -14.028
  427   2HB   SER  50          3HB       SER  50   1.982   7.008 -12.453
  428    HG   SER  50           HG       SER  50   0.274   8.194 -11.706
  429    QB   SER  50           QB       SER  50   1.924   7.409 -13.241
  430    H    HIS  51           HN       HIS  51   0.872  10.618 -13.103
  431    HA   HIS  51           HA       HIS  51   2.544  12.604 -14.432
  432   1HB   HIS  51          2HB       HIS  51   1.421  12.616 -16.449
  433   2HB   HIS  51          3HB       HIS  51   1.573  10.885 -16.171
  434    HD1  HIS  51           HD1      HIS  51  -0.914  13.407 -17.087
  435    HD2  HIS  51           HD2      HIS  51  -0.893   9.888 -14.785
  436    HE1  HIS  51           HE1      HIS  51  -3.348  12.675 -16.851
  437    QB   HIS  51           QB       HIS  51   1.497  11.751 -16.310
   
  Start of MODEL           7
 Raw file had 437 H/Q atoms
  Start of MODEL    7
    1    H    VAL   1           HN       VAL   1 -10.836  13.627  -0.194
    2    HA   VAL   1           HA       VAL   1  -9.050  14.431  -2.392
    3    HB   VAL   1           HB       VAL   1  -7.862  14.547  -0.169
    4   1HG1  VAL   1          3HG1      VAL   1  -9.005  12.615   0.954
    5   2HG1  VAL   1          1HG1      VAL   1  -8.130  11.508  -0.132
    6   3HG1  VAL   1          2HG1      VAL   1  -7.237  12.524   1.008
    7   1HG2  VAL   1          2HG2      VAL   1  -6.627  14.194  -2.272
    8   2HG2  VAL   1          3HG2      VAL   1  -5.854  13.408  -0.890
    9   3HG2  VAL   1          1HG2      VAL   1  -6.759  12.434  -2.057
   10    QG1  VAL   1           QG1      VAL   1  -8.124  12.216   0.610
   11    QG2  VAL   1           QG2      VAL   1  -6.414  13.345  -1.740
   12    QQG  VAL   1           QQG      VAL   1  -7.269  12.780  -0.565
   13    H    VAL   2           HN       VAL   2  -8.370  12.417  -3.653
   14    HA   VAL   2           HA       VAL   2 -10.249  10.127  -3.294
   15    HB   VAL   2           HB       VAL   2  -9.223  11.444  -5.854
   16   1HG1  VAL   2          1HG1      VAL   2 -10.765   8.830  -5.503
   17   2HG1  VAL   2          2HG1      VAL   2 -10.565   9.691  -7.040
   18   3HG1  VAL   2          3HG1      VAL   2  -9.149   9.036  -6.228
   19   1HG2  VAL   2          3HG2      VAL   2 -12.047  10.978  -4.776
   20   2HG2  VAL   2          1HG2      VAL   2 -11.213  12.544  -4.851
   21   3HG2  VAL   2          2HG2      VAL   2 -11.644  11.700  -6.343
   22    QG1  VAL   2           QG1      VAL   2 -10.160   9.186  -6.257
   23    QG2  VAL   2           QG2      VAL   2 -11.635  11.741  -5.324
   24    QQG  VAL   2           QQG      VAL   2 -10.897  10.463  -5.790
   25    OH   TYR   3           OH       TYR   3  -3.950   8.900   1.810
   26    H    TYR   3           HN       TYR   3  -9.264   8.075  -3.899
   27    HA   TYR   3           HA       TYR   3  -6.298   7.996  -3.853
   28   1HB   TYR   3          2HB       TYR   3  -8.273   6.725  -1.932
   29   2HB   TYR   3          3HB       TYR   3  -6.836   5.838  -2.401
   30    HD1  TYR   3           HD2      TYR   3  -4.545   6.862  -2.201
   31    HD2  TYR   3           HD1      TYR   3  -8.027   8.316  -0.126
   32    HE1  TYR   3           HE2      TYR   3  -3.098   7.745  -0.396
   33    HE2  TYR   3           HE1      TYR   3  -6.585   9.191   1.687
   34    HH   TYR   3           HH       TYR   3  -4.437   9.297   2.545
   35    QB   TYR   3           QB       TYR   3  -7.555   6.281  -2.166
   36    QR   TYR   3           QR       TYR   3  -5.564   8.028  -0.259
   37    H    THR   4           HN       THR   4  -5.498   5.911  -4.619
   38    HA   THR   4           HA       THR   4  -7.304   4.309  -6.303
   39    HB   THR   4           HB       THR   4  -5.703   4.598  -8.204
   40    HG1  THR   4          1HG       THR   4  -4.222   6.320  -8.074
   41   1HG2  THR   4          1HG2      THR   4  -7.785   6.019  -8.071
   42   2HG2  THR   4          2HG2      THR   4  -6.816   7.303  -7.316
   43   3HG2  THR   4          3HG2      THR   4  -6.460   6.780  -8.964
   44    QG2  THR   4           QG2      THR   4  -7.020   6.701  -8.117
   45    H    ASP   5           HN       ASP   5  -5.979   2.377  -7.138
   46    HA   ASP   5           HA       ASP   5  -4.647   1.137  -4.984
   47   1HB   ASP   5          2HB       ASP   5  -5.040   0.412  -7.910
   48   2HB   ASP   5          3HB       ASP   5  -4.180  -0.641  -6.786
   49    QB   ASP   5           QB       ASP   5  -4.610  -0.115  -7.348
   50    H    CYS   6           HN       CYS   6  -2.553   0.065  -5.087
   51    HA   CYS   6           HA       CYS   6  -0.407   1.798  -6.158
   52   1HB   CYS   6          2HB       CYS   6  -0.424  -0.508  -4.221
   53   2HB   CYS   6          3HB       CYS   6   1.031  -0.180  -5.158
   54    QB   CYS   6           QB       CYS   6   0.303  -0.344  -4.689
   55    H    THR   7           HN       THR   7   1.449   0.692  -7.259
   56    HA   THR   7           HA       THR   7   0.509  -1.273  -9.299
   57    HB   THR   7           HB       THR   7   2.082  -0.067 -10.829
   58    HG1  THR   7          1HG       THR   7   3.345   1.097  -9.465
   59   1HG2  THR   7          2HG2      THR   7  -0.369   0.284 -10.874
   60   2HG2  THR   7          3HG2      THR   7  -0.217   1.595  -9.698
   61   3HG2  THR   7          1HG2      THR   7   0.517   1.749 -11.315
   62    QG2  THR   7           QG2      THR   7  -0.023   1.209 -10.629
   63    H    GLU   8           HN       GLU   8   3.374  -0.241  -7.312
   64    HA   GLU   8           HA       GLU   8   4.649  -2.839  -8.055
   65   1HB   GLU   8          2HB       GLU   8   6.747  -1.844  -7.438
   66   2HB   GLU   8          3HB       GLU   8   6.028  -0.970  -8.791
   67   1HG   GLU   8          2HG       GLU   8   5.507   0.921  -7.488
   68   2HG   GLU   8          3HG       GLU   8   5.626   0.029  -5.962
   69    QB   GLU   8           QB       GLU   8   6.387  -1.407  -8.115
   70    QG   GLU   8           QG       GLU   8   5.567   0.475  -6.725
   71    H    SER   9           HN       SER   9   5.827  -3.906  -6.322
   72    HA   SER   9           HA       SER   9   4.270  -3.956  -3.889
   73   1HB   SER   9          2HB       SER   9   6.593  -5.558  -4.987
   74   2HB   SER   9          3HB       SER   9   6.133  -5.710  -3.289
   75    HG   SER   9           HG       SER   9   5.004  -7.186  -4.759
   76    QB   SER   9           QB       SER   9   6.363  -5.634  -4.138
   77    H    GLY  10           HN       GLY  10   4.872  -3.484  -1.832
   78   1HA   GLY  10          1HA       GLY  10   6.208  -2.842  -0.082
   79   2HA   GLY  10          2HA       GLY  10   7.615  -2.620  -1.143
   80    QA   GLY  10           QA       GLY  10   6.911  -2.731  -0.612
   81    H    GLN  11           HN       GLN  11   4.871  -1.170  -2.474
   82    HA   GLN  11           HA       GLN  11   5.675   1.525  -1.686
   83   1HB   GLN  11          2HB       GLN  11   4.646   0.324  -4.016
   84   2HB   GLN  11          3HB       GLN  11   3.279   1.187  -3.336
   85   1HG   GLN  11          2HG       GLN  11   4.569   3.288  -3.407
   86   2HG   GLN  11          3HG       GLN  11   6.016   2.400  -3.926
   87   1HE2  GLN  11          2HE2      GLN  11   3.180   2.189  -6.854
   88   2HE2  GLN  11          1HE2      GLN  11   2.864   1.572  -5.225
   89    QB   GLN  11           QB       GLN  11   3.963   0.755  -3.676
   90    QG   GLN  11           QG       GLN  11   5.293   2.844  -3.667
   91    QE2  GLN  11           QE2      GLN  11   3.022   1.881  -6.040
   92    H    ASN  12           HN       ASN  12   3.676   2.976  -0.996
   93    HA   ASN  12           HA       ASN  12   1.453   1.550   0.257
   94   1HB   ASN  12          2HB       ASN  12   1.869   2.157   2.515
   95   2HB   ASN  12          3HB       ASN  12   3.335   1.408   1.930
   96   1HD2  ASN  12          2HD2      ASN  12   4.634   4.141   3.842
   97   2HD2  ASN  12          1HD2      ASN  12   3.753   2.646   4.144
   98    QB   ASN  12           QB       ASN  12   2.602   1.783   2.222
   99    QD2  ASN  12           QD2      ASN  12   4.193   3.393   3.993
  100    H    LEU  13           HN       LEU  13   0.354   3.475   1.739
  101    HA   LEU  13           HA       LEU  13  -0.996   5.210   1.655
  102   1HB   LEU  13          2HB       LEU  13   1.461   6.248   1.561
  103   2HB   LEU  13          3HB       LEU  13   0.939   6.807  -0.023
  104    HG   LEU  13           HG       LEU  13  -1.088   7.864   1.175
  105   1HD1  LEU  13          2HD1      LEU  13   0.604   7.137   3.628
  106   2HD1  LEU  13          3HD1      LEU  13  -0.726   8.308   3.634
  107   3HD1  LEU  13          1HD1      LEU  13  -1.062   6.613   3.307
  108   1HD2  LEU  13          3HD2      LEU  13   0.890   9.165   0.462
  109   2HD2  LEU  13          1HD2      LEU  13   0.250   9.777   1.996
  110   3HD2  LEU  13          2HD2      LEU  13   1.713   8.772   1.987
  111    QB   LEU  13           QB       LEU  13   1.200   6.528   0.769
  112    QD1  LEU  13           QD1      LEU  13  -0.394   7.353   3.523
  113    QD2  LEU  13           QD2      LEU  13   0.951   9.238   1.482
  114    QQD  LEU  13           QQD      LEU  13   0.278   8.295   2.503
  115    H    CYS  14           HN       CYS  14  -1.888   3.413   0.121
  116    HA   CYS  14           HA       CYS  14  -3.269   4.601  -2.139
  117   1HB   CYS  14          2HB       CYS  14  -2.295   2.967  -3.768
  118   2HB   CYS  14          3HB       CYS  14  -1.052   4.024  -3.119
  119    QB   CYS  14           QB       CYS  14  -1.674   3.496  -3.444
  120    H    LEU  15           HN       LEU  15  -4.749   2.890  -3.001
  121    HA   LEU  15           HA       LEU  15  -5.952   1.359  -0.778
  122   1HB   LEU  15          2HB       LEU  15  -6.688   1.422  -3.739
  123   2HB   LEU  15          3HB       LEU  15  -7.689   0.833  -2.416
  124    HG   LEU  15           HG       LEU  15  -6.768   3.718  -2.806
  125   1HD1  LEU  15          2HD1      LEU  15  -8.465   3.060  -4.447
  126   2HD1  LEU  15          3HD1      LEU  15  -9.521   2.485  -3.131
  127   3HD1  LEU  15          1HD1      LEU  15  -9.119   4.207  -3.263
  128   1HD2  LEU  15          2HD2      LEU  15  -7.127   3.124  -0.390
  129   2HD2  LEU  15          3HD2      LEU  15  -8.356   4.252  -0.976
  130   3HD2  LEU  15          1HD2      LEU  15  -8.736   2.532  -0.814
  131    QB   LEU  15           QB       LEU  15  -7.188   1.128  -3.078
  132    QD1  LEU  15           QD1      LEU  15  -9.035   3.251  -3.614
  133    QD2  LEU  15           QD2      LEU  15  -8.073   3.303  -0.727
  134    QQD  LEU  15           QQD      LEU  15  -8.554   3.277  -2.170
  135    H    CYS  16           HN       CYS  16  -5.976  -0.767  -0.386
  136    HA   CYS  16           HA       CYS  16  -4.283  -2.443  -2.273
  137   1HB   CYS  16          2HB       CYS  16  -2.909  -1.367  -0.476
  138   2HB   CYS  16          3HB       CYS  16  -3.897  -2.211   0.715
  139    QB   CYS  16           QB       CYS  16  -3.403  -1.789   0.119
  140    H    GLU  17           HN       GLU  17  -5.982  -2.617   0.811
  141    HA   GLU  17           HA       GLU  17  -7.254  -5.194  -0.060
  142   1HB   GLU  17          2HB       GLU  17  -6.601  -4.032   2.638
  143   2HB   GLU  17          3HB       GLU  17  -7.910  -5.218   2.459
  144   1HG   GLU  17          2HG       GLU  17  -6.491  -6.892   1.600
  145   2HG   GLU  17          3HG       GLU  17  -5.233  -5.750   1.121
  146    QB   GLU  17           QB       GLU  17  -7.256  -4.625   2.549
  147    QG   GLU  17           QG       GLU  17  -5.862  -6.321   1.361
  148    H    ASP  18           HN       GLY  18  -8.602  -4.301  -1.520
  149   1HA   ASP  18          1HA       GLY  18 -10.553  -3.348  -2.285
  150   2HA   ASP  18          2HA       GLY  18 -11.162  -3.389  -0.620
  151    QA   ASP  18           QA       GLY  18 -10.858  -3.368  -1.453
  152    H    SER  19           HN       SER  19 -11.821  -1.345  -0.108
  153    HA   SER  19           HA       SER  19 -10.508   0.991  -1.311
  154   1HB   SER  19          2HB       SER  19 -13.070   0.556  -0.973
  155   2HB   SER  19          3HB       SER  19 -12.724   1.090   0.693
  156    HG   SER  19           HG       SER  19 -13.308   2.864  -0.594
  157    QB   SER  19           QB       SER  19 -12.897   0.823  -0.140
  158    H    ASN  20           HN       ASN  20  -9.400  -0.838   1.143
  159    HA   ASN  20           HA       ASN  20  -9.041   1.297   3.136
  160   1HB   ASN  20          2HB       ASN  20  -7.914  -1.492   3.095
  161   2HB   ASN  20          3HB       ASN  20  -7.812  -0.329   4.407
  162   1HD2  ASN  20          2HD2      ASN  20 -11.301  -2.412   3.878
  163   2HD2  ASN  20          1HD2      ASN  20  -9.981  -2.544   2.721
  164    QB   ASN  20           QB       ASN  20  -7.863  -0.910   3.751
  165    QD2  ASN  20           QD2      ASN  20 -10.641  -2.478   3.300
  166    H    VAL  21           HN       VAL  21  -7.408   2.646   3.095
  167    HA   VAL  21           HA       VAL  21  -5.310   2.521   1.096
  168    HB   VAL  21           HB       VAL  21  -5.807   4.423   3.432
  169   1HG1  VAL  21          3HG1      VAL  21  -3.807   4.669   1.164
  170   2HG1  VAL  21          1HG1      VAL  21  -4.187   5.949   2.331
  171   3HG1  VAL  21          2HG1      VAL  21  -3.401   4.471   2.884
  172   1HG2  VAL  21          2HG2      VAL  21  -7.502   4.541   1.562
  173   2HG2  VAL  21          3HG2      VAL  21  -6.572   6.023   1.806
  174   3HG2  VAL  21          1HG2      VAL  21  -6.150   4.950   0.465
  175    QG1  VAL  21           QG1      VAL  21  -3.798   5.029   2.126
  176    QG2  VAL  21           QG2      VAL  21  -6.741   5.171   1.278
  177    QQG  VAL  21           QQG      VAL  21  -5.270   5.100   1.702
  178    H    CYS  22           HN       CYS  22  -3.396   1.468   1.402
  179    HA   CYS  22           HA       CYS  22  -2.685   0.303   3.980
  180   1HB   CYS  22          2HB       CYS  22  -2.349  -0.741   1.695
  181   2HB   CYS  22          3HB       CYS  22  -1.040   0.412   1.428
  182    QB   CYS  22           QB       CYS  22  -1.695  -0.164   1.562
  183    H    GLY  23           HN       GLY  23  -2.497   2.232   5.263
  184   1HA   GLY  23          1HA       GLY  23  -1.097   4.548   4.522
  185   2HA   GLY  23          2HA       GLY  23  -1.545   4.078   6.167
  186    QA   GLY  23           QA       GLY  23  -1.321   4.313   5.345
  187    H    GLN  24           HN       GLN  24   0.603   5.529   6.257
  188    HA   GLN  24           HA       GLN  24   3.044   4.196   6.099
  189   1HB   GLN  24          2HB       GLN  24   1.989   6.579   7.593
  190   2HB   GLN  24          3HB       GLN  24   3.352   5.750   8.321
  191   1HG   GLN  24          2HG       GLN  24   4.285   5.902   5.738
  192   2HG   GLN  24          3HG       GLN  24   3.307   7.362   5.833
  193   1HE2  GLN  24          2HE2      GLN  24   6.703   6.851   8.185
  194   2HE2  GLN  24          1HE2      GLN  24   5.853   5.482   7.473
  195    QB   GLN  24           QB       GLN  24   2.671   6.165   7.957
  196    QG   GLN  24           QG       GLN  24   3.796   6.632   5.786
  197    QE2  GLN  24           QE2      GLN  24   6.278   6.167   7.829
  198    H    GLY  25           HN       GLY  25   4.264   3.131   7.817
  199   1HA   GLY  25          1HA       GLY  25   4.424   1.652   9.598
  200   2HA   GLY  25          2HA       GLY  25   2.744   1.939  10.046
  201    QA   GLY  25           QA       GLY  25   3.584   1.796   9.822
  202    H    ASN  26           HN       ASN  26   2.846   1.345   6.674
  203    HA   ASN  26           HA       ASN  26   2.508  -1.573   6.958
  204   1HB   ASN  26          2HB       ASN  26   0.575   0.138   5.370
  205   2HB   ASN  26          3HB       ASN  26   0.459  -1.572   5.776
  206   1HD2  ASN  26          2HD2      ASN  26  -1.368  -0.989   8.720
  207   2HD2  ASN  26          1HD2      ASN  26  -0.717  -2.177   7.603
  208    QB   ASN  26           QB       ASN  26   0.517  -0.717   5.573
  209    QD2  ASN  26           QD2      ASN  26  -1.043  -1.583   8.161
  210    H    LYS  27           HN       LYS  27   2.215  -2.518   4.654
  211    HA   LYS  27           HA       LYS  27   3.601  -1.024   2.520
  212   1HB   LYS  27          2HB       LYS  27   4.836  -3.099   4.191
  213   2HB   LYS  27          3HB       LYS  27   4.684  -3.704   2.533
  214   1HG   LYS  27          2HG       LYS  27   5.621  -1.544   1.717
  215   2HG   LYS  27          3HG       LYS  27   5.935  -1.154   3.413
  216   1HD   LYS  27          2HD       LYS  27   7.086  -3.522   1.834
  217   2HD   LYS  27          3HD       LYS  27   7.937  -2.026   2.213
  218   1HE   LYS  27          2HE       LYS  27   6.968  -3.072   4.711
  219   2HE   LYS  27          3HE       LYS  27   7.592  -4.459   3.817
  220   1HZ   LYS  27          1HZ       LYS  27   9.669  -3.186   3.568
  221   2HZ   LYS  27          2HZ       LYS  27   8.965  -1.927   4.389
  222   3HZ   LYS  27          3HZ       LYS  27   9.264  -3.358   5.158
  223    QB   LYS  27           QB       LYS  27   4.760  -3.401   3.362
  224    QG   LYS  27           QG       LYS  27   5.778  -1.349   2.565
  225    QD   LYS  27           QD       LYS  27   7.512  -2.774   2.024
  226    QE   LYS  27           QE       LYS  27   7.280  -3.766   4.264
  227    QZ   LYS  27           QZ       LYS  27   9.300  -2.824   4.372
  228    H    CYS  28           HN       CYS  28   2.704  -1.515   0.513
  229    HA   CYS  28           HA       CYS  28   0.692  -3.720   0.512
  230   1HB   CYS  28          2HB       CYS  28  -0.122  -1.448  -0.055
  231   2HB   CYS  28          3HB       CYS  28   0.974  -1.475  -1.446
  232    QB   CYS  28           QB       CYS  28   0.426  -1.461  -0.751
  233    H    ILE  29           HN       ILE  29   1.361  -5.580  -0.351
  234    HA   ILE  29           HA       ILE  29   3.539  -5.606  -2.385
  235    HB   ILE  29           HB       ILE  29   2.437  -7.761  -0.553
  236   1HG1  ILE  29          2HG1      ILE  29   4.809  -7.818   0.247
  237   2HG1  ILE  29          3HG1      ILE  29   5.154  -6.370  -0.706
  238   1HG2  ILE  29          1HG2      ILE  29   4.657  -7.945  -2.634
  239   2HG2  ILE  29          2HG2      ILE  29   4.217  -9.201  -1.476
  240   3HG2  ILE  29          3HG2      ILE  29   3.073  -8.749  -2.734
  241   1HD1  ILE  29          2HD1      ILE  29   3.026  -6.422   1.460
  242   2HD1  ILE  29          3HD1      ILE  29   4.742  -6.117   1.803
  243   3HD1  ILE  29          1HD1      ILE  29   3.862  -5.009   0.757
  244    QG1  ILE  29           QG1      ILE  29   4.982  -7.094  -0.230
  245    QG2  ILE  29           QG2      ILE  29   3.982  -8.632  -2.281
  246    QD1  ILE  29           QD1      ILE  29   3.877  -5.849   1.340
  247    H    LEU  30           HN       LEU  30   2.922  -5.875  -4.459
  248    HA   LEU  30           HA       LEU  30   0.165  -6.424  -5.202
  249   1HB   LEU  30          2HB       LEU  30   2.703  -5.665  -6.577
  250   2HB   LEU  30          3HB       LEU  30   1.724  -6.803  -7.478
  251    HG   LEU  30           HG       LEU  30   1.237  -4.596  -8.190
  252   1HD1  LEU  30          2HD1      LEU  30  -0.604  -6.264  -8.155
  253   2HD1  LEU  30          3HD1      LEU  30  -1.199  -5.549  -6.642
  254   3HD1  LEU  30          1HD1      LEU  30  -1.143  -4.578  -8.112
  255   1HD2  LEU  30          1HD2      LEU  30   0.498  -3.932  -5.319
  256   2HD2  LEU  30          2HD2      LEU  30   1.820  -3.263  -6.278
  257   3HD2  LEU  30          3HD2      LEU  30   0.143  -2.913  -6.725
  258    QB   LEU  30           QB       LEU  30   2.214  -6.234  -7.027
  259    QD1  LEU  30           QD1      LEU  30  -0.982  -5.464  -7.636
  260    QD2  LEU  30           QD2      LEU  30   0.821  -3.370  -6.107
  261    QQD  LEU  30           QQD      LEU  30  -0.081  -4.417  -6.872
  262    H    GLY  31           HN       GLY  31  -0.636  -8.258  -6.172
  263   1HA   GLY  31          1HA       GLY  31   0.275 -10.791  -5.217
  264   2HA   GLY  31          2HA       GLY  31  -0.946 -10.465  -6.474
  265    QA   GLY  31           QA       GLY  31  -0.336 -10.628  -5.845
  266    H    SER  32           HN       SER  32   0.683 -12.707  -6.782
  267    HA   SER  32           HA       SER  32   2.396 -11.923  -9.109
  268   1HB   SER  32          2HB       SER  32   4.133 -13.476  -8.221
  269   2HB   SER  32          3HB       SER  32   3.938 -11.984  -7.281
  270    HG   SER  32           HG       SER  32   2.535 -14.349  -6.623
  271    QB   SER  32           QB       SER  32   4.035 -12.730  -7.751
  272    H    ASN  33           HN       ASP  33   0.851 -12.707 -10.358
  273    HA   ASN  33           HA       ASP  33   0.487 -14.222 -12.021
  274   1HB   ASN  33          2HB       ASP  33   2.196 -15.820 -11.130
  275   2HB   ASN  33          3HB       ASP  33   0.925 -16.558 -10.140
  276    QB   ASN  33           QB       ASP  33   1.561 -16.189 -10.635
  277    H    GLY  34           HN       GLY  34  -1.438 -13.023 -11.655
  278   1HA   GLY  34          1HA       GLY  34  -3.718 -12.857 -11.538
  279   2HA   GLY  34          2HA       GLY  34  -3.756 -14.627 -11.559
  280    QA   GLY  34           QA       GLY  34  -3.737 -13.742 -11.549
  281    H    GLU  35           HN       GLU  35  -2.808 -12.017  -9.255
  282    HA   GLU  35           HA       GLU  35  -4.454 -13.271  -7.111
  283   1HB   GLU  35          2HB       GLU  35  -1.530 -13.018  -7.291
  284   2HB   GLU  35          3HB       GLU  35  -2.166 -12.186  -5.865
  285   1HG   GLU  35          2HG       GLU  35  -3.315 -14.207  -5.134
  286   2HG   GLU  35          3HG       GLU  35  -2.673 -15.094  -6.539
  287    QB   GLU  35           QB       GLU  35  -1.848 -12.602  -6.578
  288    QG   GLU  35           QG       GLU  35  -2.994 -14.650  -5.837
  289    H    LYS  36           HN       LYS  36  -4.468 -11.760  -5.191
  290    HA   LYS  36           HA       LYS  36  -5.292  -9.054  -6.117
  291   1HB   LYS  36          2HB       LYS  36  -5.933 -10.612  -3.584
  292   2HB   LYS  36          3HB       LYS  36  -6.599  -9.039  -3.996
  293   1HG   LYS  36          2HG       LYS  36  -7.004 -11.610  -5.603
  294   2HG   LYS  36          3HG       LYS  36  -8.136 -11.006  -4.419
  295   1HD   LYS  36          2HD       LYS  36  -7.287  -9.506  -6.957
  296   2HD   LYS  36          3HD       LYS  36  -8.706 -10.522  -6.851
  297   1HE   LYS  36          2HE       LYS  36  -8.241  -7.997  -5.176
  298   2HE   LYS  36          3HE       LYS  36  -9.222  -8.099  -6.637
  299   1HZ   LYS  36          2HZ       LYS  36 -10.644  -9.678  -5.515
  300   2HZ   LYS  36          3HZ       LYS  36  -9.753  -9.553  -4.134
  301   3HZ   LYS  36          1HZ       LYS  36 -10.580  -8.252  -4.701
  302    QB   LYS  36           QB       LYS  36  -6.266  -9.826  -3.790
  303    QG   LYS  36           QG       LYS  36  -7.570 -11.308  -5.011
  304    QD   LYS  36           QD       LYS  36  -7.996 -10.014  -6.904
  305    QE   LYS  36           QE       LYS  36  -8.732  -8.048  -5.906
  306    QZ   LYS  36           QZ       LYS  36 -10.325  -9.161  -4.783
  307    H    ASN  37           HN       ASN  37  -5.037  -7.394  -4.280
  308    HA   ASN  37           HA       ASN  37  -2.172  -7.148  -3.846
  309   1HB   ASN  37          2HB       ASN  37  -4.403  -5.385  -4.279
  310   2HB   ASN  37          3HB       ASN  37  -3.862  -5.075  -2.628
  311   1HD2  ASN  37          2HD2      ASN  37  -2.021  -2.879  -5.081
  312   2HD2  ASN  37          1HD2      ASN  37  -3.729  -3.176  -4.828
  313    QB   ASN  37           QB       ASN  37  -4.133  -5.230  -3.454
  314    QD2  ASN  37           QD2      ASN  37  -2.875  -3.028  -4.955
  315    H    GLN  38           HN       GLN  38  -1.160  -6.815  -1.730
  316    HA   GLN  38           HA       GLN  38  -2.787  -7.784   0.613
  317   1HB   GLN  38          2HB       GLN  38   0.105  -8.538   0.028
  318   2HB   GLN  38          3HB       GLN  38  -1.001  -9.217   1.226
  319   1HG   GLN  38          2HG       GLN  38  -2.404 -10.097  -0.714
  320   2HG   GLN  38          3HG       GLN  38  -1.150  -9.511  -1.820
  321   1HE2  GLN  38          2HE2      GLN  38  -0.314 -12.750   0.592
  322   2HE2  GLN  38          1HE2      GLN  38  -1.553 -11.608   1.094
  323    QB   GLN  38           QB       GLN  38  -0.448  -8.878   0.627
  324    QG   GLN  38           QG       GLN  38  -1.777  -9.804  -1.267
  325    QE2  GLN  38           QE2      GLN  38  -0.933 -12.179   0.843
  326    H    CYS  39           HN       CYS  39  -2.697  -6.307   2.317
  327    HA   CYS  39           HA       CYS  39  -0.462  -4.314   2.318
  328   1HB   CYS  39          2HB       CYS  39  -2.740  -3.351   2.283
  329   2HB   CYS  39          3HB       CYS  39  -3.150  -4.275   3.720
  330    QB   CYS  39           QB       CYS  39  -2.945  -3.813   3.002
  331    H    VAL  40           HN       VAL  40   1.216  -5.024   3.644
  332    HA   VAL  40           HA       VAL  40   0.473  -6.599   6.093
  333    HB   VAL  40           HB       VAL  40   2.590  -7.594   6.058
  334   1HG1  VAL  40          3HG1      VAL  40   0.869  -8.480   4.456
  335   2HG1  VAL  40          1HG1      VAL  40   1.644  -7.558   3.151
  336   3HG1  VAL  40          2HG1      VAL  40   2.535  -8.839   3.979
  337   1HG2  VAL  40          3HG2      VAL  40   3.356  -5.690   3.803
  338   2HG2  VAL  40          1HG2      VAL  40   4.061  -5.770   5.429
  339   3HG2  VAL  40          2HG2      VAL  40   4.304  -7.107   4.302
  340    QG1  VAL  40           QG1      VAL  40   1.683  -8.293   3.862
  341    QG2  VAL  40           QG2      VAL  40   3.907  -6.189   4.511
  342    QQG  VAL  40           QQG      VAL  40   2.795  -7.241   4.187
  343    H    THR  41           HN       THR  41   1.848  -6.143   8.011
  344    HA   THR  41           HA       THR  41   1.980  -3.273   8.505
  345    HB   THR  41           HB       THR  41   1.158  -4.958  10.137
  346    HG1  THR  41          1HG       THR  41   3.323  -3.356  11.012
  347   1HG2  THR  41          1HG2      THR  41   2.941  -6.720   9.810
  348   2HG2  THR  41          2HG2      THR  41   4.101  -5.640  10.608
  349   3HG2  THR  41          3HG2      THR  41   2.697  -6.242  11.496
  350    QG2  THR  41           QG2      THR  41   3.246  -6.201  10.638
  351    H    GLY  42           HN       GLY  42   3.941  -2.102   8.998
  352   1HA   GLY  42          1HA       GLY  42   6.447  -2.780   9.481
  353   2HA   GLY  42          2HA       GLY  42   6.426  -3.205   7.762
  354    QA   GLY  42           QA       GLY  42   6.436  -2.992   8.622
  355    H    GLU  43           HN       GLU  43   7.037  -1.559   6.402
  356    HA   GLU  43           HA       GLU  43   5.997   1.055   6.577
  357   1HB   GLU  43          2HB       GLU  43   8.530   0.528   7.971
  358   2HB   GLU  43          3HB       GLU  43   8.836   1.581   6.579
  359   1HG   GLU  43          2HG       GLU  43   6.756   2.075   8.745
  360   2HG   GLU  43          3HG       GLU  43   8.299   2.866   8.562
  361    QB   GLU  43           QB       GLU  43   8.683   1.054   7.275
  362    QG   GLU  43           QG       GLU  43   7.527   2.471   8.654
  363    H    GLY  44           HN       GLY  44   6.426   2.208   4.577
  364   1HA   GLY  44          1HA       GLY  44   7.723   0.727   2.376
  365   2HA   GLY  44          2HA       GLY  44   5.953   0.830   2.354
  366    QA   GLY  44           QA       GLY  44   6.838   0.779   2.365
  367    H    THR  45           HN       THR  45   7.203   2.022   0.262
  368    HA   THR  45           HA       THR  45   7.612   4.881   0.979
  369    HB   THR  45           HB       THR  45   9.338   3.548  -0.265
  370    HG1  THR  45          1HG       THR  45   9.863   5.331  -1.481
  371   1HG2  THR  45          3HG2      THR  45   7.850   2.409  -1.926
  372   2HG2  THR  45          1HG2      THR  45   7.522   3.992  -2.674
  373   3HG2  THR  45          2HG2      THR  45   9.160   3.327  -2.681
  374    QG2  THR  45           QG2      THR  45   8.177   3.243  -2.427
  375    HA   PRO  46           HA       PRO  46   3.536   5.709  -0.578
  376   1HB   PRO  46          2HB       PRO  46   3.591   8.389  -1.102
  377   2HB   PRO  46          3HB       PRO  46   3.620   7.701   0.549
  378   1HG   PRO  46          2HG       PRO  46   5.998   8.586  -1.112
  379   2HG   PRO  46          3HG       PRO  46   5.618   9.048   0.573
  380   1HD   PRO  46          2HD       PRO  46   7.353   7.043   0.013
  381   2HD   PRO  46          3HD       PRO  46   6.206   6.872   1.374
  382    QB   PRO  46           QB       PRO  46   3.606   8.045  -0.277
  383    QG   PRO  46           QG       PRO  46   5.808   8.817  -0.270
  384    QD   PRO  46           QD       PRO  46   6.780   6.957   0.694
  385    H    LYS  47           HN       LYS  47   2.482   5.626  -2.596
  386    HA   LYS  47           HA       LYS  47   4.013   5.119  -4.857
  387   1HB   LYS  47          2HB       LYS  47   1.747   4.382  -4.732
  388   2HB   LYS  47          3HB       LYS  47   1.139   6.050  -4.819
  389   1HG   LYS  47          2HG       LYS  47   1.931   6.326  -7.066
  390   2HG   LYS  47          3HG       LYS  47   2.937   4.863  -6.972
  391   1HD   LYS  47          2HD       LYS  47   0.974   3.431  -6.947
  392   2HD   LYS  47          3HD       LYS  47  -0.103   4.821  -6.799
  393   1HE   LYS  47          2HE       LYS  47  -0.144   4.015  -9.094
  394   2HE   LYS  47          3HE       LYS  47   0.553   5.640  -9.030
  395   1HZ   LYS  47          1HZ       LYS  47   2.744   4.599  -9.170
  396   2HZ   LYS  47          2HZ       LYS  47   2.049   3.103  -9.342
  397   3HZ   LYS  47          3HZ       LYS  47   1.813   4.258 -10.474
  398    QB   LYS  47           QB       LYS  47   1.443   5.216  -4.775
  399    QG   LYS  47           QG       LYS  47   2.434   5.595  -7.019
  400    QD   LYS  47           QD       LYS  47   0.435   4.126  -6.873
  401    QE   LYS  47           QE       LYS  47   0.204   4.827  -9.062
  402    QZ   LYS  47           QZ       LYS  47   2.202   3.987  -9.662
  403    HA   PRO  48           HA       PRO  48   5.079   9.398  -5.883
  404   1HB   PRO  48          2HB       PRO  48   6.854   8.857  -7.949
  405   2HB   PRO  48          3HB       PRO  48   7.261   8.835  -6.214
  406   1HG   PRO  48          2HG       PRO  48   6.975   6.530  -8.041
  407   2HG   PRO  48          3HG       PRO  48   7.796   6.636  -6.464
  408   1HD   PRO  48          2HD       PRO  48   5.149   5.647  -7.101
  409   2HD   PRO  48          3HD       PRO  48   5.965   5.589  -5.522
  410    QB   PRO  48           QB       PRO  48   7.057   8.846  -7.082
  411    QG   PRO  48           QG       PRO  48   7.386   6.583  -7.252
  412    QD   PRO  48           QD       PRO  48   5.557   5.618  -6.311
  413    H    GLN  49           HN       GLN  49   4.512  10.806  -7.641
  414    HA   GLN  49           HA       GLN  49   2.340  10.126  -9.284
  415   1HB   GLN  49          2HB       GLN  49   2.534  12.322 -10.061
  416   2HB   GLN  49          3HB       GLN  49   3.187  12.401  -8.439
  417   1HG   GLN  49          2HG       GLN  49   5.503  11.953  -9.826
  418   2HG   GLN  49          3HG       GLN  49   4.546  12.707 -11.099
  419   1HE2  GLN  49          2HE2      GLN  49   6.091  14.911  -8.039
  420   2HE2  GLN  49          1HE2      GLN  49   6.428  13.198  -8.229
  421    QB   GLN  49           QB       GLN  49   2.860  12.361  -9.250
  422    QG   GLN  49           QG       GLN  49   5.025  12.330 -10.462
  423    QE2  GLN  49           QE2      GLN  49   6.260  14.055  -8.134
  424    H    SER  50           HN       SER  50   2.305  10.155 -11.705
  425    HA   SER  50           HA       SER  50   4.252   8.319 -12.820
  426   1HB   SER  50          2HB       SER  50   2.588   8.752 -14.803
  427   2HB   SER  50          3HB       SER  50   2.019   7.882 -13.365
  428    HG   SER  50           HG       SER  50   0.609   9.638 -14.017
  429    QB   SER  50           QB       SER  50   2.303   8.317 -14.084
  430    H    HIS  51           HN       HIS  51   3.086  11.620 -13.489
  431    HA   HIS  51           HA       HIS  51   5.126  12.141 -15.544
  432   1HB   HIS  51          2HB       HIS  51   2.865  13.740 -14.286
  433   2HB   HIS  51          3HB       HIS  51   4.072  14.485 -15.332
  434    HD1  HIS  51           HD1      HIS  51   3.707  14.317 -17.868
  435    HD2  HIS  51           HD2      HIS  51   1.323  11.714 -15.579
  436    HE1  HIS  51           HE1      HIS  51   2.019  13.265 -19.475
  437    QB   HIS  51           QB       HIS  51   3.468  14.112 -14.809
   
  Start of MODEL           8
 Raw file had 437 H/Q atoms
  Start of MODEL    8
    1    H    VAL   1           HN       VAL   1  -9.472  14.824  -1.786
    2    HA   VAL   1           HA       VAL   1  -7.106  14.363  -1.987
    3    HB   VAL   1           HB       VAL   1  -5.980  12.982  -0.275
    4   1HG1  VAL   1          2HG1      VAL   1  -5.737  15.421  -0.301
    5   2HG1  VAL   1          3HG1      VAL   1  -7.103  15.591   0.813
    6   3HG1  VAL   1          1HG1      VAL   1  -5.631  14.772   1.329
    7   1HG2  VAL   1          3HG2      VAL   1  -8.593  13.227   1.268
    8   2HG2  VAL   1          1HG2      VAL   1  -7.578  11.807   0.974
    9   3HG2  VAL   1          2HG2      VAL   1  -7.042  13.056   2.085
   10    QG1  VAL   1           QG1      VAL   1  -6.157  15.261   0.614
   11    QG2  VAL   1           QG2      VAL   1  -7.738  12.697   1.442
   12    QQG  VAL   1           QQG      VAL   1  -6.947  13.979   1.028
   13    H    VAL   2           HN       VAL   2  -7.436  13.071  -3.766
   14    HA   VAL   2           HA       VAL   2  -9.257  10.766  -3.593
   15    HB   VAL   2           HB       VAL   2  -7.636  11.913  -5.914
   16   1HG1  VAL   2          3HG1      VAL   2  -8.264   9.519  -6.228
   17   2HG1  VAL   2          1HG1      VAL   2  -9.955   9.945  -5.961
   18   3HG1  VAL   2          2HG1      VAL   2  -9.079  10.579  -7.351
   19   1HG2  VAL   2          3HG2      VAL   2 -10.553  12.284  -5.076
   20   2HG2  VAL   2          1HG2      VAL   2  -9.305  13.543  -5.198
   21   3HG2  VAL   2          2HG2      VAL   2  -9.905  12.754  -6.659
   22    QG1  VAL   2           QG1      VAL   2  -9.100  10.014  -6.513
   23    QG2  VAL   2           QG2      VAL   2  -9.921  12.860  -5.644
   24    QQG  VAL   2           QQG      VAL   2  -9.510  11.437  -6.079
   25    OH   TYR   3           OH       TYR   3  -4.244   8.603   2.444
   26    H    TYR   3           HN       TYR   3  -8.572   8.645  -3.632
   27    HA   TYR   3           HA       TYR   3  -5.646   8.082  -3.447
   28   1HB   TYR   3          2HB       TYR   3  -8.084   6.917  -2.078
   29   2HB   TYR   3          3HB       TYR   3  -6.679   5.905  -2.372
   30    HD1  TYR   3           HD2      TYR   3  -4.341   6.868  -1.743
   31    HD2  TYR   3           HD1      TYR   3  -8.074   8.108   0.031
   32    HE1  TYR   3           HE2      TYR   3  -3.132   7.635   0.266
   33    HE2  TYR   3           HE1      TYR   3  -6.865   8.798   2.076
   34    HH   TYR   3           HH       TYR   3  -4.811   8.948   3.135
   35    QB   TYR   3           QB       TYR   3  -7.381   6.411  -2.225
   36    QR   TYR   3           QR       TYR   3  -5.603   7.853   0.158
   37    H    THR   4           HN       THR   4  -4.997   5.956  -4.370
   38    HA   THR   4           HA       THR   4  -6.651   4.998  -6.608
   39    HB   THR   4           HB       THR   4  -4.650   5.138  -8.124
   40    HG1  THR   4          1HG       THR   4  -3.557   6.797  -6.116
   41   1HG2  THR   4          2HG2      THR   4  -5.583   7.857  -7.095
   42   2HG2  THR   4          3HG2      THR   4  -4.672   7.583  -8.570
   43   3HG2  THR   4          1HG2      THR   4  -6.289   6.899  -8.395
   44    QG2  THR   4           QG2      THR   4  -5.515   7.447  -8.020
   45    H    ASP   5           HN       ASP   5  -5.674   2.888  -7.489
   46    HA   ASP   5           HA       ASP   5  -5.032   1.285  -5.242
   47   1HB   ASP   5          2HB       ASP   5  -5.212   0.675  -8.217
   48   2HB   ASP   5          3HB       ASP   5  -4.845  -0.545  -7.004
   49    QB   ASP   5           QB       ASP   5  -5.029   0.065  -7.611
   50    H    CYS   6           HN       CYS   6  -3.109  -0.295  -5.153
   51    HA   CYS   6           HA       CYS   6  -0.710   1.332  -5.684
   52   1HB   CYS   6          2HB       CYS   6  -0.882  -1.410  -4.421
   53   2HB   CYS   6          3HB       CYS   6   0.614  -0.525  -4.764
   54    QB   CYS   6           QB       CYS   6  -0.134  -0.968  -4.593
   55    H    THR   7           HN       THR   7   0.852   1.083  -7.207
   56    HA   THR   7           HA       THR   7   0.260  -0.896  -9.357
   57    HB   THR   7           HB       THR   7   1.461   0.760 -10.751
   58    HG1  THR   7          1HG       THR   7   2.675   1.849  -8.921
   59   1HG2  THR   7          1HG2      THR   7  -1.061   0.828 -10.370
   60   2HG2  THR   7          2HG2      THR   7  -0.764   1.984  -9.074
   61   3HG2  THR   7          3HG2      THR   7  -0.333   2.407 -10.733
   62    QG2  THR   7           QG2      THR   7  -0.719   1.740 -10.059
   63    H    GLU   8           HN       GLU   8   2.549  -0.459  -6.850
   64    HA   GLU   8           HA       GLU   8   4.324  -2.482  -8.055
   65   1HB   GLU   8          2HB       GLU   8   6.287  -1.108  -7.155
   66   2HB   GLU   8          3HB       GLU   8   5.493  -0.457  -8.605
   67   1HG   GLU   8          2HG       GLU   8   4.232   0.602  -6.241
   68   2HG   GLU   8          3HG       GLU   8   5.958   0.819  -6.120
   69    QB   GLU   8           QB       GLU   8   5.890  -0.783  -7.880
   70    QG   GLU   8           QG       GLU   8   5.095   0.710  -6.181
   71    H    SER   9           HN       SER   9   5.173  -3.888  -6.507
   72    HA   SER   9           HA       SER   9   3.928  -3.956  -3.952
   73   1HB   SER   9          2HB       SER   9   6.115  -5.559  -5.298
   74   2HB   SER   9          3HB       SER   9   5.765  -5.795  -3.592
   75    HG   SER   9           HG       SER   9   4.556  -7.197  -5.038
   76    QB   SER   9           QB       SER   9   5.940  -5.677  -4.445
   77    H    GLY  10           HN       GLY  10   4.848  -3.913  -1.916
   78   1HA   GLY  10          1HA       GLY  10   6.346  -3.429  -0.231
   79   2HA   GLY  10          2HA       GLY  10   7.596  -3.040  -1.430
   80    QA   GLY  10           QA       GLY  10   6.971  -3.234  -0.831
   81    H    GLN  11           HN       GLN  11   4.473  -1.556  -1.921
   82    HA   GLN  11           HA       GLN  11   5.589   1.007  -0.995
   83   1HB   GLN  11          2HB       GLN  11   5.373   0.319  -3.629
   84   2HB   GLN  11          3HB       GLN  11   3.706   0.861  -3.306
   85   1HG   GLN  11          2HG       GLN  11   4.565   3.043  -2.566
   86   2HG   GLN  11          3HG       GLN  11   6.237   2.475  -2.857
   87   1HE2  GLN  11          2HE2      GLN  11   3.825   2.891  -6.200
   88   2HE2  GLN  11          1HE2      GLN  11   3.167   2.305  -4.677
   89    QB   GLN  11           QB       GLN  11   4.539   0.590  -3.467
   90    QG   GLN  11           QG       GLN  11   5.401   2.759  -2.711
   91    QE2  GLN  11           QE2      GLN  11   3.496   2.598  -5.438
   92    H    ASN  12           HN       ASN  12   3.859   2.640  -0.557
   93    HA   ASN  12           HA       ASN  12   1.239   1.446   0.275
   94   1HB   ASN  12          2HB       ASN  12   1.479   2.287   2.559
   95   2HB   ASN  12          3HB       ASN  12   2.767   1.194   2.131
   96   1HD2  ASN  12          2HD2      ASN  12   5.196   3.461   3.247
   97   2HD2  ASN  12          1HD2      ASN  12   4.401   1.876   3.438
   98    QB   ASN  12           QB       ASN  12   2.123   1.740   2.345
   99    QD2  ASN  12           QD2      ASN  12   4.799   2.668   3.342
  100    H    LEU  13           HN       LEU  13   0.152   3.655   1.607
  101    HA   LEU  13           HA       LEU  13  -1.009   5.550   1.134
  102   1HB   LEU  13          2HB       LEU  13   1.722   6.140   0.055
  103   2HB   LEU  13          3HB       LEU  13   0.467   7.149  -0.598
  104    HG   LEU  13           HG       LEU  13   1.856   7.779   1.517
  105   1HD1  LEU  13          2HD1      LEU  13   0.154   9.165   0.449
  106   2HD1  LEU  13          3HD1      LEU  13  -1.124   8.326   1.348
  107   3HD1  LEU  13          1HD1      LEU  13   0.081   9.302   2.208
  108   1HD2  LEU  13          1HD2      LEU  13   1.044   5.712   2.835
  109   2HD2  LEU  13          2HD2      LEU  13   1.006   7.284   3.635
  110   3HD2  LEU  13          3HD2      LEU  13  -0.491   6.588   3.014
  111    QB   LEU  13           QB       LEU  13   1.095   6.645  -0.271
  112    QD1  LEU  13           QD1      LEU  13  -0.296   8.931   1.335
  113    QD2  LEU  13           QD2      LEU  13   0.520   6.528   3.161
  114    QQD  LEU  13           QQD      LEU  13   0.112   7.730   2.248
  115    H    CYS  14           HN       CYS  14  -1.614   3.226  -0.250
  116    HA   CYS  14           HA       CYS  14  -3.218   4.367  -2.355
  117   1HB   CYS  14          2HB       CYS  14  -2.335   2.607  -4.053
  118   2HB   CYS  14          3HB       CYS  14  -1.538   4.146  -3.791
  119    QB   CYS  14           QB       CYS  14  -1.937   3.377  -3.922
  120    H    LEU  15           HN       LEU  15  -4.772   2.916  -3.163
  121    HA   LEU  15           HA       LEU  15  -5.938   1.329  -1.048
  122   1HB   LEU  15          2HB       LEU  15  -6.826   1.501  -3.946
  123   2HB   LEU  15          3HB       LEU  15  -7.771   0.964  -2.550
  124    HG   LEU  15           HG       LEU  15  -6.745   3.784  -3.069
  125   1HD1  LEU  15          1HD1      LEU  15  -8.642   3.080  -4.488
  126   2HD1  LEU  15          2HD1      LEU  15  -9.590   2.765  -3.018
  127   3HD1  LEU  15          3HD1      LEU  15  -9.029   4.408  -3.389
  128   1HD2  LEU  15          2HD2      LEU  15  -7.925   2.509  -0.633
  129   2HD2  LEU  15          3HD2      LEU  15  -6.861   3.920  -0.802
  130   3HD2  LEU  15          1HD2      LEU  15  -8.598   4.079  -1.087
  131    QB   LEU  15           QB       LEU  15  -7.299   1.232  -3.248
  132    QD1  LEU  15           QD1      LEU  15  -9.087   3.418  -3.632
  133    QD2  LEU  15           QD2      LEU  15  -7.795   3.503  -0.841
  134    QQD  LEU  15           QQD      LEU  15  -8.441   3.460  -2.236
  135    H    CYS  16           HN       CYS  16  -5.420  -0.654  -0.581
  136    HA   CYS  16           HA       CYS  16  -3.851  -2.301  -2.556
  137   1HB   CYS  16          2HB       CYS  16  -2.518  -1.390  -0.659
  138   2HB   CYS  16          3HB       CYS  16  -3.620  -2.190   0.460
  139    QB   CYS  16           QB       CYS  16  -3.069  -1.790  -0.099
  140    H    GLU  17           HN       GLU  17  -5.670  -2.595   0.509
  141    HA   GLU  17           HA       GLU  17  -7.054  -5.011  -0.525
  142   1HB   GLU  17          2HB       GLU  17  -5.834  -4.378   2.013
  143   2HB   GLU  17          3HB       GLU  17  -7.576  -4.510   2.271
  144   1HG   GLU  17          2HG       GLU  17  -5.907  -6.592   0.792
  145   2HG   GLU  17          3HG       GLU  17  -6.353  -6.679   2.501
  146    QB   GLU  17           QB       GLU  17  -6.705  -4.444   2.142
  147    QG   GLU  17           QG       GLU  17  -6.130  -6.635   1.646
  148    H    ASP  18           HN       GLY  18  -8.716  -4.231  -1.712
  149   1HA   ASP  18          1HA       GLY  18 -10.755  -3.258  -2.178
  150   2HA   ASP  18          2HA       GLY  18 -11.036  -3.245  -0.429
  151    QA   ASP  18           QA       GLY  18 -10.896  -3.252  -1.303
  152    H    SER  19           HN       SER  19 -11.850  -1.188  -0.108
  153    HA   SER  19           HA       SER  19 -10.600   1.146  -1.403
  154   1HB   SER  19          2HB       SER  19 -13.165   0.684  -0.871
  155   2HB   SER  19          3HB       SER  19 -12.743   1.338   0.719
  156    HG   SER  19           HG       SER  19 -12.382   2.592  -1.808
  157    QB   SER  19           QB       SER  19 -12.954   1.011  -0.076
  158    H    ASN  20           HN       ASN  20  -9.543  -0.735   1.117
  159    HA   ASN  20           HA       ASN  20  -9.155   1.414   3.086
  160   1HB   ASN  20          2HB       ASN  20  -7.989  -1.358   3.188
  161   2HB   ASN  20          3HB       ASN  20  -8.246  -0.219   4.498
  162   1HD2  ASN  20          2HD2      ASN  20 -11.314  -2.661   3.284
  163   2HD2  ASN  20          1HD2      ASN  20  -9.801  -2.576   2.386
  164    QB   ASN  20           QB       ASN  20  -8.118  -0.789   3.843
  165    QD2  ASN  20           QD2      ASN  20 -10.558  -2.619   2.835
  166    H    VAL  21           HN       VAL  21  -7.501   2.766   2.777
  167    HA   VAL  21           HA       VAL  21  -5.414   2.244   0.835
  168    HB   VAL  21           HB       VAL  21  -6.313   4.525   1.308
  169   1HG1  VAL  21          1HG1      VAL  21  -6.378   4.453   3.781
  170   2HG1  VAL  21          2HG1      VAL  21  -4.595   4.475   3.807
  171   3HG1  VAL  21          3HG1      VAL  21  -5.497   5.842   3.127
  172   1HG2  VAL  21          2HG2      VAL  21  -3.403   3.796   1.182
  173   2HG2  VAL  21          3HG2      VAL  21  -4.429   4.645   0.037
  174   3HG2  VAL  21          1HG2      VAL  21  -3.806   5.461   1.477
  175    QG1  VAL  21           QG1      VAL  21  -5.490   4.923   3.572
  176    QG2  VAL  21           QG2      VAL  21  -3.879   4.634   0.898
  177    QQG  VAL  21           QQG      VAL  21  -4.685   4.779   2.235
  178    H    CYS  22           HN       CYS  22  -3.353   1.461   1.161
  179    HA   CYS  22           HA       CYS  22  -2.722   0.346   3.794
  180   1HB   CYS  22          2HB       CYS  22  -2.062  -0.599   1.495
  181   2HB   CYS  22          3HB       CYS  22  -0.786   0.613   1.485
  182    QB   CYS  22           QB       CYS  22  -1.424   0.007   1.490
  183    H    GLY  23           HN       GLY  23  -2.754   2.092   5.188
  184   1HA   GLY  23          1HA       GLY  23  -1.570   4.612   4.819
  185   2HA   GLY  23          2HA       GLY  23  -1.923   3.848   6.377
  186    QA   GLY  23           QA       GLY  23  -1.746   4.230   5.598
  187    H    GLN  24           HN       GLN  24   0.204   5.534   6.233
  188    HA   GLN  24           HA       GLN  24   2.713   4.412   5.830
  189   1HB   GLN  24          2HB       GLN  24   3.433   6.111   7.553
  190   2HB   GLN  24          3HB       GLN  24   2.548   6.751   6.180
  191   1HG   GLN  24          2HG       GLN  24   0.943   7.616   7.503
  192   2HG   GLN  24          3HG       GLN  24   0.628   6.076   8.289
  193   1HE2  GLN  24          2HE2      GLN  24   2.749   6.639  11.089
  194   2HE2  GLN  24          1HE2      GLN  24   2.116   5.366  10.038
  195    QB   GLN  24           QB       GLN  24   2.991   6.431   6.867
  196    QG   GLN  24           QG       GLN  24   0.785   6.846   7.896
  197    QE2  GLN  24           QE2      GLN  24   2.432   6.003  10.563
  198    H    GLY  25           HN       GLY  25   4.102   3.187   7.097
  199   1HA   GLY  25          1HA       GLY  25   4.811   1.933   8.958
  200   2HA   GLY  25          2HA       GLY  25   3.255   2.172   9.761
  201    QA   GLY  25           QA       GLY  25   4.033   2.053   9.359
  202    H    ASN  26           HN       ASN  26   2.923   1.405   6.426
  203    HA   ASN  26           HA       ASN  26   2.778  -1.492   6.780
  204   1HB   ASN  26          2HB       ASN  26   0.550   0.143   5.495
  205   2HB   ASN  26          3HB       ASN  26   0.536  -1.575   5.855
  206   1HD2  ASN  26          2HD2      ASN  26  -0.927  -1.129   9.011
  207   2HD2  ASN  26          1HD2      ASN  26  -0.463  -2.228   7.720
  208    QB   ASN  26           QB       ASN  26   0.543  -0.716   5.675
  209    QD2  ASN  26           QD2      ASN  26  -0.695  -1.679   8.365
  210    H    LYS  27           HN       LYS  27   2.597  -2.546   4.552
  211    HA   LYS  27           HA       LYS  27   3.452  -0.882   2.273
  212   1HB   LYS  27          2HB       LYS  27   4.727  -3.581   2.704
  213   2HB   LYS  27          3HB       LYS  27   5.224  -2.203   1.717
  214   1HG   LYS  27          2HG       LYS  27   5.689  -0.945   3.872
  215   2HG   LYS  27          3HG       LYS  27   5.362  -2.477   4.716
  216   1HD   LYS  27          2HD       LYS  27   7.587  -2.001   2.699
  217   2HD   LYS  27          3HD       LYS  27   7.741  -2.051   4.452
  218   1HE   LYS  27          2HE       LYS  27   8.135  -4.223   4.396
  219   2HE   LYS  27          3HE       LYS  27   6.456  -4.482   3.953
  220   1HZ   LYS  27          1HZ       LYS  27   8.688  -4.063   2.068
  221   2HZ   LYS  27          2HZ       LYS  27   7.989  -5.508   2.417
  222   3HZ   LYS  27          3HZ       LYS  27   7.120  -4.344   1.647
  223    QB   LYS  27           QB       LYS  27   4.975  -2.892   2.210
  224    QG   LYS  27           QG       LYS  27   5.525  -1.711   4.294
  225    QD   LYS  27           QD       LYS  27   7.664  -2.026   3.576
  226    QE   LYS  27           QE       LYS  27   7.295  -4.353   4.174
  227    QZ   LYS  27           QZ       LYS  27   7.932  -4.638   2.044
  228    H    CYS  28           HN       CYS  28   2.464  -1.555   0.386
  229    HA   CYS  28           HA       CYS  28   0.538  -3.798   0.453
  230   1HB   CYS  28          2HB       CYS  28  -0.093  -1.556  -0.524
  231   2HB   CYS  28          3HB       CYS  28   1.122  -1.844  -1.771
  232    QB   CYS  28           QB       CYS  28   0.515  -1.700  -1.147
  233    H    ILE  29           HN       ILE  29   1.093  -5.734  -0.359
  234    HA   ILE  29           HA       ILE  29   3.330  -5.927  -2.360
  235    HB   ILE  29           HB       ILE  29   2.176  -8.024  -0.491
  236   1HG1  ILE  29          2HG1      ILE  29   3.481  -6.263   0.733
  237   2HG1  ILE  29          3HG1      ILE  29   4.132  -7.890   0.850
  238   1HG2  ILE  29          3HG2      ILE  29   4.500  -8.123  -2.454
  239   2HG2  ILE  29          1HG2      ILE  29   4.184  -9.349  -1.206
  240   3HG2  ILE  29          2HG2      ILE  29   3.004  -9.074  -2.494
  241   1HD1  ILE  29          2HD1      ILE  29   5.218  -5.872  -1.149
  242   2HD1  ILE  29          3HD1      ILE  29   5.824  -6.041   0.500
  243   3HD1  ILE  29          1HD1      ILE  29   5.944  -7.400  -0.625
  244    QG1  ILE  29           QG1      ILE  29   3.807  -7.076   0.791
  245    QG2  ILE  29           QG2      ILE  29   3.896  -8.849  -2.051
  246    QD1  ILE  29           QD1      ILE  29   5.662  -6.438  -0.425
  247    H    LEU  30           HN       LEU  30   2.507  -5.943  -4.384
  248    HA   LEU  30           HA       LEU  30  -0.292  -6.724  -4.923
  249   1HB   LEU  30          2HB       LEU  30   2.013  -5.863  -6.703
  250   2HB   LEU  30          3HB       LEU  30   0.352  -6.133  -7.261
  251    HG   LEU  30           HG       LEU  30   1.161  -4.064  -5.152
  252   1HD1  LEU  30          2HD1      LEU  30   1.981  -3.652  -7.495
  253   2HD1  LEU  30          3HD1      LEU  30   0.306  -3.570  -8.005
  254   3HD1  LEU  30          1HD1      LEU  30   0.933  -2.443  -6.817
  255   1HD2  LEU  30          2HD2      LEU  30  -1.485  -4.734  -6.555
  256   2HD2  LEU  30          3HD2      LEU  30  -1.162  -4.704  -4.796
  257   3HD2  LEU  30          1HD2      LEU  30  -1.196  -3.192  -5.720
  258    QB   LEU  30           QB       LEU  30   1.182  -5.998  -6.982
  259    QD1  LEU  30           QD1      LEU  30   1.073  -3.222  -7.439
  260    QD2  LEU  30           QD2      LEU  30  -1.281  -4.210  -5.691
  261    QQD  LEU  30           QQD      LEU  30  -0.104  -3.716  -6.565
  262    H    GLY  31           HN       GLY  31   0.336  -8.818  -3.817
  263   1HA   GLY  31          1HA       GLY  31   0.936 -11.036  -3.857
  264   2HA   GLY  31          2HA       GLY  31   0.277 -10.952  -5.491
  265    QA   GLY  31           QA       GLY  31   0.607 -10.994  -4.674
  266    H    SER  32           HN       SER  32   1.595 -12.199  -6.607
  267    HA   SER  32           HA       SER  32   4.319 -11.357  -7.217
  268   1HB   SER  32          2HB       SER  32   3.805 -14.045  -5.881
  269   2HB   SER  32          3HB       SER  32   5.287 -13.588  -6.697
  270    HG   SER  32           HG       SER  32   4.530 -11.670  -4.909
  271    QB   SER  32           QB       SER  32   4.546 -13.816  -6.289
  272    H    ASN  33           HN       ASP  33   2.772 -11.010  -9.053
  273    HA   ASN  33           HA       ASP  33   1.893 -11.521 -11.063
  274   1HB   ASN  33          2HB       ASP  33   4.353 -11.993 -11.340
  275   2HB   ASN  33          3HB       ASP  33   4.008 -13.708 -11.073
  276    QB   ASN  33           QB       ASP  33   4.181 -12.850 -11.207
  277    H    GLY  34           HN       GLY  34   0.325 -12.591  -9.035
  278   1HA   GLY  34          1HA       GLY  34  -1.379 -14.397 -10.289
  279   2HA   GLY  34          2HA       GLY  34  -0.201 -15.390  -9.401
  280    QA   GLY  34           QA       GLY  34  -0.790 -14.894  -9.845
  281    H    GLU  35           HN       GLU  35   0.247 -14.115  -7.061
  282    HA   GLU  35           HA       GLU  35  -2.171 -14.332  -5.541
  283   1HB   GLU  35          2HB       GLU  35   0.608 -13.266  -4.952
  284   2HB   GLU  35          3HB       GLU  35  -0.704 -13.072  -3.792
  285   1HG   GLU  35          2HG       GLU  35  -1.071 -15.526  -3.799
  286   2HG   GLU  35          3HG       GLU  35   0.303 -15.700  -4.903
  287    QB   GLU  35           QB       GLU  35  -0.048 -13.169  -4.372
  288    QG   GLU  35           QG       GLU  35  -0.384 -15.613  -4.351
  289    H    LYS  36           HN       LYS  36  -2.997 -12.559  -4.155
  290    HA   LYS  36           HA       LYS  36  -3.711 -10.232  -5.852
  291   1HB   LYS  36          2HB       LYS  36  -5.020 -11.205  -3.279
  292   2HB   LYS  36          3HB       LYS  36  -5.614 -10.010  -4.423
  293   1HG   LYS  36          2HG       LYS  36  -6.796 -11.692  -5.324
  294   2HG   LYS  36          3HG       LYS  36  -5.274 -12.126  -6.116
  295   1HD   LYS  36          2HD       LYS  36  -4.892 -13.469  -3.794
  296   2HD   LYS  36          3HD       LYS  36  -6.639 -13.363  -3.695
  297   1HE   LYS  36          2HE       LYS  36  -4.932 -14.674  -5.880
  298   2HE   LYS  36          3HE       LYS  36  -5.971 -15.477  -4.695
  299   1HZ   LYS  36          3HZ       LYS  36  -7.675 -13.841  -5.968
  300   2HZ   LYS  36          1HZ       LYS  36  -6.655 -14.277  -7.188
  301   3HZ   LYS  36          2HZ       LYS  36  -7.445 -15.431  -6.325
  302    QB   LYS  36           QB       LYS  36  -5.317 -10.607  -3.851
  303    QG   LYS  36           QG       LYS  36  -6.035 -11.909  -5.720
  304    QD   LYS  36           QD       LYS  36  -5.765 -13.416  -3.745
  305    QE   LYS  36           QE       LYS  36  -5.452 -15.076  -5.288
  306    QZ   LYS  36           QZ       LYS  36  -7.259 -14.516  -6.494
  307    H    ASN  37           HN       ASN  37  -4.189  -8.235  -4.465
  308    HA   ASN  37           HA       ASN  37  -1.844  -7.161  -3.428
  309   1HB   ASN  37          2HB       ASN  37  -4.645  -6.217  -2.768
  310   2HB   ASN  37          3HB       ASN  37  -3.168  -5.248  -2.859
  311   1HD2  ASN  37          2HD2      ASN  37  -4.233  -4.233  -6.074
  312   2HD2  ASN  37          1HD2      ASN  37  -3.767  -3.752  -4.454
  313    QB   ASN  37           QB       ASN  37  -3.906  -5.733  -2.814
  314    QD2  ASN  37           QD2      ASN  37  -4.000  -3.992  -5.264
  315    H    GLN  38           HN       GLN  38  -0.932  -7.122  -1.353
  316    HA   GLN  38           HA       GLN  38  -2.618  -7.917   0.994
  317   1HB   GLN  38          2HB       GLN  38   0.271  -8.775   0.607
  318   2HB   GLN  38          3HB       GLN  38  -0.899  -9.325   1.810
  319   1HG   GLN  38          2HG       GLN  38  -2.263 -10.297  -0.102
  320   2HG   GLN  38          3HG       GLN  38  -0.944  -9.806  -1.175
  321   1HE2  GLN  38          2HE2      GLN  38  -0.230 -13.293  -0.903
  322   2HE2  GLN  38          1HE2      GLN  38  -1.494 -12.268  -1.488
  323    QB   GLN  38           QB       GLN  38  -0.314  -9.050   1.208
  324    QG   GLN  38           QG       GLN  38  -1.604 -10.052  -0.638
  325    QE2  GLN  38           QE2      GLN  38  -0.862 -12.781  -1.196
  326    H    CYS  39           HN       CYS  39  -2.771  -6.001   2.146
  327    HA   CYS  39           HA       CYS  39  -0.475  -4.157   2.304
  328   1HB   CYS  39          2HB       CYS  39  -2.697  -3.184   2.202
  329   2HB   CYS  39          3HB       CYS  39  -3.188  -4.091   3.629
  330    QB   CYS  39           QB       CYS  39  -2.943  -3.638   2.916
  331    H    VAL  40           HN       VAL  40   1.173  -5.208   3.389
  332    HA   VAL  40           HA       VAL  40   0.583  -6.568   5.967
  333    HB   VAL  40           HB       VAL  40   2.704  -7.551   5.841
  334   1HG1  VAL  40          3HG1      VAL  40   0.953  -8.424   4.267
  335   2HG1  VAL  40          1HG1      VAL  40   1.743  -7.517   2.956
  336   3HG1  VAL  40          2HG1      VAL  40   2.622  -8.800   3.806
  337   1HG2  VAL  40          2HG2      VAL  40   3.425  -5.362   3.913
  338   2HG2  VAL  40          3HG2      VAL  40   4.342  -6.061   5.249
  339   3HG2  VAL  40          1HG2      VAL  40   4.203  -6.937   3.727
  340    QG1  VAL  40           QG1      VAL  40   1.773  -8.247   3.676
  341    QG2  VAL  40           QG2      VAL  40   3.990  -6.120   4.297
  342    QQG  VAL  40           QQG      VAL  40   2.881  -7.183   3.986
  343    H    THR  41           HN       THR  41   2.110  -6.052   7.807
  344    HA   THR  41           HA       THR  41   2.134  -3.181   8.273
  345    HB   THR  41           HB       THR  41   1.547  -4.808  10.005
  346    HG1  THR  41          1HG       THR  41   3.885  -3.423  10.759
  347   1HG2  THR  41          2HG2      THR  41   3.155  -6.636   9.501
  348   2HG2  THR  41          3HG2      THR  41   4.500  -5.594  10.005
  349   3HG2  THR  41          1HG2      THR  41   3.272  -6.094  11.180
  350    QG2  THR  41           QG2      THR  41   3.642  -6.108  10.228
  351    H    GLY  42           HN       GLY  42   4.114  -2.036   9.028
  352   1HA   GLY  42          1HA       GLY  42   6.542  -2.011   9.293
  353   2HA   GLY  42          2HA       GLY  42   6.704  -3.016   7.844
  354    QA   GLY  42           QA       GLY  42   6.623  -2.513   8.569
  355    H    GLU  43           HN       GLU  43   7.554  -0.081   8.546
  356    HA   GLU  43           HA       GLU  43   6.005   1.599   6.825
  357   1HB   GLU  43          2HB       GLU  43   7.627   2.317   8.711
  358   2HB   GLU  43          3HB       GLU  43   8.937   1.865   7.616
  359   1HG   GLU  43          2HG       GLU  43   7.443   3.620   6.034
  360   2HG   GLU  43          3HG       GLU  43   7.202   4.277   7.651
  361    QB   GLU  43           QB       GLU  43   8.282   2.091   8.164
  362    QG   GLU  43           QG       GLU  43   7.323   3.949   6.843
  363    H    GLY  44           HN       GLY  44   6.532   2.322   4.653
  364   1HA   GLY  44          1HA       GLY  44   8.676   0.949   3.152
  365   2HA   GLY  44          2HA       GLY  44   6.995   0.748   2.614
  366    QA   GLY  44           QA       GLY  44   7.836   0.848   2.883
  367    H    THR  45           HN       THR  45   8.340   1.808   0.740
  368    HA   THR  45           HA       THR  45   8.426   4.642   0.614
  369    HB   THR  45           HB       THR  45   8.241   2.485  -1.498
  370    HG1  THR  45          1HG       THR  45  10.583   3.075  -1.501
  371   1HG2  THR  45          1HG2      THR  45   7.775   5.026  -2.219
  372   2HG2  THR  45          2HG2      THR  45   9.533   5.155  -2.057
  373   3HG2  THR  45          3HG2      THR  45   8.813   3.972  -3.174
  374    QG2  THR  45           QG2      THR  45   8.707   4.718  -2.484
  375    HA   PRO  46           HA       PRO  46   3.963   5.180  -0.113
  376   1HB   PRO  46          2HB       PRO  46   3.858   7.877  -0.403
  377   2HB   PRO  46          3HB       PRO  46   4.212   7.120   1.173
  378   1HG   PRO  46          2HG       PRO  46   6.197   8.223  -0.832
  379   2HG   PRO  46          3HG       PRO  46   6.144   8.538   0.911
  380   1HD   PRO  46          2HD       PRO  46   7.778   6.635  -0.201
  381   2HD   PRO  46          3HD       PRO  46   7.039   6.407   1.414
  382    QB   PRO  46           QB       PRO  46   4.035   7.499   0.385
  383    QG   PRO  46           QG       PRO  46   6.171   8.380   0.040
  384    QD   PRO  46           QD       PRO  46   7.409   6.521   0.607
  385    H    LYS  47           HN       LYS  47   2.623   5.364  -1.882
  386    HA   LYS  47           HA       LYS  47   3.889   5.161  -4.431
  387   1HB   LYS  47          2HB       LYS  47   1.978   3.903  -3.630
  388   2HB   LYS  47          3HB       LYS  47   0.938   5.329  -3.721
  389   1HG   LYS  47          2HG       LYS  47   2.391   4.742  -6.270
  390   2HG   LYS  47          3HG       LYS  47   1.470   3.371  -5.668
  391   1HD   LYS  47          2HD       LYS  47  -0.534   4.988  -5.448
  392   2HD   LYS  47          3HD       LYS  47   0.435   6.085  -6.445
  393   1HE   LYS  47          2HE       LYS  47   0.494   4.565  -8.273
  394   2HE   LYS  47          3HE       LYS  47  -0.086   3.236  -7.284
  395   1HZ   LYS  47          2HZ       LYS  47  -2.006   5.402  -7.417
  396   2HZ   LYS  47          3HZ       LYS  47  -1.690   4.577  -8.814
  397   3HZ   LYS  47          1HZ       LYS  47  -2.139   3.781  -7.452
  398    QB   LYS  47           QB       LYS  47   1.458   4.616  -3.675
  399    QG   LYS  47           QG       LYS  47   1.930   4.057  -5.969
  400    QD   LYS  47           QD       LYS  47  -0.050   5.537  -5.946
  401    QE   LYS  47           QE       LYS  47   0.204   3.900  -7.779
  402    QZ   LYS  47           QZ       LYS  47  -1.945   4.587  -7.894
  403    HA   PRO  48           HA       PRO  48   3.403   9.582  -5.237
  404   1HB   PRO  48          2HB       PRO  48   4.796   9.685  -7.604
  405   2HB   PRO  48          3HB       PRO  48   5.563   9.672  -5.992
  406   1HG   PRO  48          2HG       PRO  48   5.401   7.440  -7.969
  407   2HG   PRO  48          3HG       PRO  48   6.645   7.772  -6.739
  408   1HD   PRO  48          2HD       PRO  48   4.469   5.940  -6.561
  409   2HD   PRO  48          3HD       PRO  48   5.567   6.405  -5.241
  410    QB   PRO  48           QB       PRO  48   5.179   9.679  -6.798
  411    QG   PRO  48           QG       PRO  48   6.023   7.606  -7.354
  412    QD   PRO  48           QD       PRO  48   5.018   6.172  -5.901
  413    H    GLN  49           HN       GLN  49   1.722  10.565  -6.448
  414    HA   GLN  49           HA       GLN  49  -0.151   8.856  -7.697
  415   1HB   GLN  49          2HB       GLN  49   0.053  11.886  -7.902
  416   2HB   GLN  49          3HB       GLN  49  -1.365  10.851  -8.036
  417   1HG   GLN  49          2HG       GLN  49   0.180  11.495  -5.505
  418   2HG   GLN  49          3HG       GLN  49  -1.446  11.997  -5.924
  419   1HE2  GLN  49          2HE2      GLN  49  -2.948   9.010  -4.727
  420   2HE2  GLN  49          1HE2      GLN  49  -3.221  10.463  -5.666
  421    QB   GLN  49           QB       GLN  49  -0.656  11.369  -7.969
  422    QG   GLN  49           QG       GLN  49  -0.633  11.746  -5.715
  423    QE2  GLN  49           QE2      GLN  49  -3.085   9.737  -5.197
  424    H    SER  50           HN       SER  50  -0.849   8.954  -9.930
  425    HA   SER  50           HA       SER  50   1.362   8.772 -11.767
  426   1HB   SER  50          2HB       SER  50  -0.515   7.271 -11.961
  427   2HB   SER  50          3HB       SER  50  -1.649   8.620 -12.177
  428    HG   SER  50           HG       SER  50   0.504   8.378 -13.955
  429    QB   SER  50           QB       SER  50  -1.082   7.945 -12.069
  430    H    HIS  51           HN       HIS  51  -1.167  11.201 -11.205
  431    HA   HIS  51           HA       HIS  51  -0.655  12.764 -13.575
  432   1HB   HIS  51          2HB       HIS  51  -1.973  14.501 -12.292
  433   2HB   HIS  51          3HB       HIS  51  -2.796  12.976 -12.609
  434    HD1  HIS  51           HD1      HIS  51  -3.956  11.933 -10.569
  435    HD2  HIS  51           HD2      HIS  51  -0.908  14.666  -9.593
  436    HE1  HIS  51           HE1      HIS  51  -4.008  12.219  -8.029
  437    QB   HIS  51           QB       HIS  51  -2.385  13.739 -12.451
   
  Start of MODEL           9
 Raw file had 437 H/Q atoms
  Start of MODEL    9
    1    H    VAL   1           HN       VAL   1 -12.804  11.452  -1.727
    2    HA   VAL   1           HA       VAL   1 -11.102  10.825  -0.091
    3    HB   VAL   1           HB       VAL   1 -10.578   8.332   0.019
    4   1HG1  VAL   1          3HG1      VAL   1 -11.470   9.593   1.906
    5   2HG1  VAL   1          1HG1      VAL   1 -13.134   9.345   1.321
    6   3HG1  VAL   1          2HG1      VAL   1 -12.157   7.959   1.851
    7   1HG2  VAL   1          3HG2      VAL   1 -12.095   7.519  -1.818
    8   2HG2  VAL   1          1HG2      VAL   1 -12.399   6.742  -0.263
    9   3HG2  VAL   1          2HG2      VAL   1 -13.498   8.006  -0.834
   10    QG1  VAL   1           QG1      VAL   1 -12.253   8.966   1.693
   11    QG2  VAL   1           QG2      VAL   1 -12.664   7.423  -0.972
   12    QQG  VAL   1           QQG      VAL   1 -12.459   8.194   0.361
   13    H    VAL   2           HN       VAL   2  -9.341  11.501  -1.209
   14    HA   VAL   2           HA       VAL   2  -9.026  10.765  -4.041
   15    HB   VAL   2           HB       VAL   2  -7.429  12.615  -2.220
   16   1HG1  VAL   2          3HG1      VAL   2  -6.139  11.800  -4.219
   17   2HG1  VAL   2          1HG1      VAL   2  -7.449  12.394  -5.270
   18   3HG1  VAL   2          2HG1      VAL   2  -6.499  13.534  -4.288
   19   1HG2  VAL   2          2HG2      VAL   2  -9.615  13.210  -4.270
   20   2HG2  VAL   2          3HG2      VAL   2  -9.731  13.457  -2.511
   21   3HG2  VAL   2          1HG2      VAL   2  -8.604  14.429  -3.467
   22    QG1  VAL   2           QG1      VAL   2  -6.696  12.576  -4.592
   23    QG2  VAL   2           QG2      VAL   2  -9.317  13.698  -3.416
   24    QQG  VAL   2           QQG      VAL   2  -8.006  13.137  -4.004
   25    OH   TYR   3           OH       TYR   3  -5.462   8.904   2.944
   26    H    TYR   3           HN       TYR   3  -8.542   8.502  -3.875
   27    HA   TYR   3           HA       TYR   3  -5.729   8.012  -3.241
   28   1HB   TYR   3          2HB       TYR   3  -8.023   6.410  -2.077
   29   2HB   TYR   3          3HB       TYR   3  -6.367   5.799  -2.177
   30    HD1  TYR   3           HD2      TYR   3  -4.477   7.431  -1.232
   31    HD2  TYR   3           HD1      TYR   3  -8.580   7.252   0.070
   32    HE1  TYR   3           HE2      TYR   3  -3.837   8.437   0.938
   33    HE2  TYR   3           HE1      TYR   3  -7.936   8.247   2.243
   34    HH   TYR   3           HH       TYR   3  -6.192   9.018   3.554
   35    QB   TYR   3           QB       TYR   3  -7.195   6.104  -2.127
   36    QR   TYR   3           QR       TYR   3  -6.208   7.842   0.505
   37    H    THR   4           HN       THR   4  -5.104   5.767  -4.166
   38    HA   THR   4           HA       THR   4  -6.651   4.888  -6.496
   39    HB   THR   4           HB       THR   4  -4.638   5.202  -7.947
   40    HG1  THR   4          1HG       THR   4  -3.734   6.862  -5.822
   41   1HG2  THR   4          1HG2      THR   4  -6.481   6.900  -8.015
   42   2HG2  THR   4          2HG2      THR   4  -5.575   7.886  -6.834
   43   3HG2  THR   4          3HG2      THR   4  -4.875   7.552  -8.433
   44    QG2  THR   4           QG2      THR   4  -5.644   7.446  -7.760
   45    H    ASP   5           HN       ASP   5  -5.509   2.865  -7.417
   46    HA   ASP   5           HA       ASP   5  -4.774   1.203  -5.177
   47   1HB   ASP   5          2HB       ASP   5  -5.196   0.689  -8.141
   48   2HB   ASP   5          3HB       ASP   5  -4.703  -0.573  -7.014
   49    QB   ASP   5           QB       ASP   5  -4.949   0.058  -7.577
   50    H    CYS   6           HN       CYS   6  -2.809  -0.286  -5.197
   51    HA   CYS   6           HA       CYS   6  -0.524   1.466  -5.814
   52   1HB   CYS   6          2HB       CYS   6  -0.527  -1.246  -4.481
   53   2HB   CYS   6          3HB       CYS   6   0.904  -0.300  -4.862
   54    QB   CYS   6           QB       CYS   6   0.189  -0.773  -4.672
   55    H    THR   7           HN       THR   7   1.355   0.837  -7.094
   56    HA   THR   7           HA       THR   7   0.647  -0.953  -9.379
   57    HB   THR   7           HB       THR   7   2.202   0.570 -10.659
   58    HG1  THR   7          1HG       THR   7   3.232   1.686  -9.064
   59   1HG2  THR   7          1HG2      THR   7  -0.379   1.723  -9.505
   60   2HG2  THR   7          2HG2      THR   7   0.447   2.291 -10.976
   61   3HG2  THR   7          3HG2      THR   7  -0.221   0.658 -10.906
   62    QG2  THR   7           QG2      THR   7  -0.051   1.557 -10.462
   63    H    GLU   8           HN       GLU   8   2.931  -0.670  -6.760
   64    HA   GLU   8           HA       GLU   8   4.419  -2.927  -7.906
   65   1HB   GLU   8          2HB       GLU   8   6.577  -1.843  -7.184
   66   2HB   GLU   8          3HB       GLU   8   5.853  -1.131  -8.628
   67   1HG   GLU   8          2HG       GLU   8   5.169   0.833  -7.475
   68   2HG   GLU   8          3HG       GLU   8   5.328   0.056  -5.884
   69    QB   GLU   8           QB       GLU   8   6.215  -1.487  -7.906
   70    QG   GLU   8           QG       GLU   8   5.248   0.445  -6.679
   71    H    SER   9           HN       SER   9   5.381  -4.211  -6.267
   72    HA   SER   9           HA       SER   9   4.044  -4.071  -3.704
   73   1HB   SER   9          2HB       SER   9   6.083  -5.912  -4.969
   74   2HB   SER   9          3HB       SER   9   5.701  -6.017  -3.247
   75    HG   SER   9           HG       SER   9   4.303  -7.389  -4.614
   76    QB   SER   9           QB       SER   9   5.892  -5.965  -4.108
   77    H    GLY  10           HN       GLY  10   4.810  -3.600  -1.748
   78   1HA   GLY  10          1HA       GLY  10   6.377  -3.060  -0.145
   79   2HA   GLY  10          2HA       GLY  10   7.643  -2.832  -1.366
   80    QA   GLY  10           QA       GLY  10   7.010  -2.946  -0.756
   81    H    GLN  11           HN       GLN  11   4.775  -1.250  -2.369
   82    HA   GLN  11           HA       GLN  11   5.772   1.364  -1.441
   83   1HB   GLN  11          2HB       GLN  11   4.431   0.418  -3.811
   84   2HB   GLN  11          3HB       GLN  11   3.366   1.577  -3.014
   85   1HG   GLN  11          2HG       GLN  11   5.109   3.284  -3.050
   86   2HG   GLN  11          3HG       GLN  11   6.301   2.120  -3.657
   87   1HE2  GLN  11          2HE2      GLN  11   3.570   2.477  -6.581
   88   2HE2  GLN  11          1HE2      GLN  11   3.186   1.688  -5.050
   89    QB   GLN  11           QB       GLN  11   3.898   0.998  -3.412
   90    QG   GLN  11           QG       GLN  11   5.705   2.702  -3.354
   91    QE2  GLN  11           QE2      GLN  11   3.378   2.083  -5.816
   92    H    ASN  12           HN       ASN  12   3.848   2.898  -0.722
   93    HA   ASN  12           HA       ASN  12   1.462   1.542   0.276
   94   1HB   ASN  12          2HB       ASN  12   1.670   2.255   2.605
   95   2HB   ASN  12          3HB       ASN  12   3.006   1.228   2.141
   96   1HD2  ASN  12          2HD2      ASN  12   4.944   3.611   3.900
   97   2HD2  ASN  12          1HD2      ASN  12   4.013   2.101   4.095
   98    QB   ASN  12           QB       ASN  12   2.338   1.741   2.373
   99    QD2  ASN  12           QD2      ASN  12   4.478   2.856   3.998
  100    H    LEU  13           HN       LEU  13   0.254   3.531   1.697
  101    HA   LEU  13           HA       LEU  13  -0.922   5.400   1.422
  102   1HB   LEU  13          2HB       LEU  13   1.787   6.196   0.940
  103   2HB   LEU  13          3HB       LEU  13   0.839   7.053  -0.261
  104    HG   LEU  13           HG       LEU  13   1.257   8.276   1.836
  105   1HD1  LEU  13          2HD1      LEU  13  -1.529   7.762   0.829
  106   2HD1  LEU  13          3HD1      LEU  13  -1.333   8.749   2.303
  107   3HD1  LEU  13          1HD1      LEU  13  -0.536   9.244   0.789
  108   1HD2  LEU  13          1HD2      LEU  13   1.078   6.241   3.336
  109   2HD2  LEU  13          2HD2      LEU  13   0.327   7.754   3.913
  110   3HD2  LEU  13          3HD2      LEU  13  -0.697   6.455   3.278
  111    QB   LEU  13           QB       LEU  13   1.313   6.625   0.339
  112    QD1  LEU  13           QD1      LEU  13  -1.132   8.585   1.307
  113    QD2  LEU  13           QD2      LEU  13   0.236   6.817   3.509
  114    QQD  LEU  13           QQD      LEU  13  -0.448   7.701   2.408
  115    H    CYS  14           HN       CYS  14  -1.579   3.346  -0.097
  116    HA   CYS  14           HA       CYS  14  -3.145   4.515  -2.192
  117   1HB   CYS  14          2HB       CYS  14  -2.226   2.826  -3.960
  118   2HB   CYS  14          3HB       CYS  14  -1.457   4.371  -3.645
  119    QB   CYS  14           QB       CYS  14  -1.842   3.598  -3.803
  120    H    LEU  15           HN       LEU  15  -4.703   3.027  -2.985
  121    HA   LEU  15           HA       LEU  15  -5.850   1.347  -0.904
  122   1HB   LEU  15          2HB       LEU  15  -6.609   1.494  -3.843
  123   2HB   LEU  15          3HB       LEU  15  -7.596   0.909  -2.496
  124    HG   LEU  15           HG       LEU  15  -6.741   3.772  -3.025
  125   1HD1  LEU  15          1HD1      LEU  15  -8.604   2.926  -4.395
  126   2HD1  LEU  15          2HD1      LEU  15  -9.494   2.512  -2.906
  127   3HD1  LEU  15          3HD1      LEU  15  -9.110   4.209  -3.270
  128   1HD2  LEU  15          2HD2      LEU  15  -8.166   2.529  -0.631
  129   2HD2  LEU  15          3HD2      LEU  15  -6.703   3.545  -0.638
  130   3HD2  LEU  15          1HD2      LEU  15  -8.281   4.258  -1.026
  131    QB   LEU  15           QB       LEU  15  -7.102   1.201  -3.169
  132    QD1  LEU  15           QD1      LEU  15  -9.069   3.216  -3.524
  133    QD2  LEU  15           QD2      LEU  15  -7.716   3.444  -0.765
  134    QQD  LEU  15           QQD      LEU  15  -8.393   3.330  -2.144
  135    H    CYS  16           HN       CYS  16  -5.732  -0.748  -0.567
  136    HA   CYS  16           HA       CYS  16  -3.966  -2.333  -2.437
  137   1HB   CYS  16          2HB       CYS  16  -2.703  -1.377  -0.501
  138   2HB   CYS  16          3HB       CYS  16  -3.804  -2.221   0.593
  139    QB   CYS  16           QB       CYS  16  -3.253  -1.799   0.046
  140    H    GLU  17           HN       GLU  17  -5.821  -2.663   0.592
  141    HA   GLU  17           HA       GLU  17  -6.999  -5.197  -0.471
  142   1HB   GLU  17          2HB       GLU  17  -6.900  -4.059   2.336
  143   2HB   GLU  17          3HB       GLU  17  -7.770  -5.521   1.841
  144   1HG   GLU  17          2HG       GLU  17  -5.643  -6.492   0.948
  145   2HG   GLU  17          3HG       GLU  17  -4.766  -5.057   1.499
  146    QB   GLU  17           QB       GLU  17  -7.335  -4.790   2.089
  147    QG   GLU  17           QG       GLU  17  -5.204  -5.775   1.224
  148    H    ASP  18           HN       GLY  18  -8.295  -4.227  -2.016
  149   1HA   ASP  18          1HA       GLY  18 -10.277  -3.358  -2.826
  150   2HA   ASP  18          2HA       GLY  18 -10.961  -3.553  -1.197
  151    QA   ASP  18           QA       GLY  18 -10.619  -3.456  -2.011
  152    H    SER  19           HN       SER  19 -11.794  -1.555  -0.633
  153    HA   SER  19           HA       SER  19 -10.519   0.912  -1.554
  154   1HB   SER  19          2HB       SER  19 -13.016   0.612  -1.395
  155   2HB   SER  19          3HB       SER  19 -12.846   0.532   0.373
  156    HG   SER  19           HG       SER  19 -11.745   2.627   0.132
  157    QB   SER  19           QB       SER  19 -12.931   0.572  -0.511
  158    H    ASN  20           HN       ASN  20  -9.414  -1.139   0.809
  159    HA   ASN  20           HA       ASN  20  -9.140   0.882   2.929
  160   1HB   ASN  20          2HB       ASN  20  -7.815  -1.804   2.719
  161   2HB   ASN  20          3HB       ASN  20  -7.962  -0.793   4.150
  162   1HD2  ASN  20          2HD2      ASN  20 -10.608  -3.482   4.286
  163   2HD2  ASN  20          1HD2      ASN  20  -8.872  -3.543   4.037
  164    QB   ASN  20           QB       ASN  20  -7.889  -1.299   3.434
  165    QD2  ASN  20           QD2      ASN  20  -9.740  -3.512   4.161
  166    H    VAL  21           HN       VAL  21  -7.636   2.368   2.819
  167    HA   VAL  21           HA       VAL  21  -5.440   2.305   0.907
  168    HB   VAL  21           HB       VAL  21  -6.675   4.402   1.559
  169   1HG1  VAL  21          3HG1      VAL  21  -6.608   4.043   4.057
  170   2HG1  VAL  21          1HG1      VAL  21  -4.859   4.389   4.000
  171   3HG1  VAL  21          2HG1      VAL  21  -6.026   5.629   3.514
  172   1HG2  VAL  21          1HG2      VAL  21  -3.637   4.187   1.618
  173   2HG2  VAL  21          2HG2      VAL  21  -4.708   4.617   0.260
  174   3HG2  VAL  21          3HG2      VAL  21  -4.491   5.738   1.622
  175    QG1  VAL  21           QG1      VAL  21  -5.831   4.687   3.857
  176    QG2  VAL  21           QG2      VAL  21  -4.278   4.847   1.166
  177    QQG  VAL  21           QQG      VAL  21  -5.055   4.767   2.512
  178    H    CYS  22           HN       CYS  22  -3.425   1.529   1.212
  179    HA   CYS  22           HA       CYS  22  -2.848   0.285   3.781
  180   1HB   CYS  22          2HB       CYS  22  -2.212  -0.640   1.526
  181   2HB   CYS  22          3HB       CYS  22  -0.934   0.580   1.455
  182    QB   CYS  22           QB       CYS  22  -1.573  -0.030   1.491
  183    H    GLY  23           HN       GLY  23  -3.034   2.024   5.093
  184   1HA   GLY  23          1HA       GLY  23  -1.909   4.511   4.980
  185   2HA   GLY  23          2HA       GLY  23  -2.290   3.660   6.483
  186    QA   GLY  23           QA       GLY  23  -2.099   4.086   5.731
  187    H    GLN  24           HN       GLN  24  -0.199   5.550   6.129
  188    HA   GLN  24           HA       GLN  24   2.394   4.661   5.858
  189   1HB   GLN  24          2HB       GLN  24   2.911   6.343   7.691
  190   2HB   GLN  24          3HB       GLN  24   2.031   6.962   6.290
  191   1HG   GLN  24          2HG       GLN  24   0.144   7.456   7.475
  192   2HG   GLN  24          3HG       GLN  24   0.257   6.022   8.497
  193   1HE2  GLN  24          2HE2      GLN  24   2.542   9.234   9.706
  194   2HE2  GLN  24          1HE2      GLN  24   2.447   8.880   7.990
  195    QB   GLN  24           QB       GLN  24   2.471   6.652   6.990
  196    QG   GLN  24           QG       GLN  24   0.201   6.739   7.986
  197    QE2  GLN  24           QE2      GLN  24   2.494   9.057   8.848
  198    H    GLY  25           HN       GLY  25   3.866   3.484   7.035
  199   1HA   GLY  25          1HA       GLY  25   4.690   2.248   8.873
  200   2HA   GLY  25          2HA       GLY  25   3.095   2.236   9.632
  201    QA   GLY  25           QA       GLY  25   3.893   2.242   9.252
  202    H    ASN  26           HN       ASN  26   1.675   1.525   7.126
  203    HA   ASN  26           HA       ASN  26   2.237  -1.361   7.083
  204   1HB   ASN  26          2HB       ASN  26   0.080   0.107   5.569
  205   2HB   ASN  26          3HB       ASN  26   0.184  -1.605   6.005
  206   1HD2  ASN  26          2HD2      ASN  26  -2.258   0.074   8.298
  207   2HD2  ASN  26          1HD2      ASN  26  -2.115   0.024   6.547
  208    QB   ASN  26           QB       ASN  26   0.132  -0.749   5.787
  209    QD2  ASN  26           QD2      ASN  26  -2.186   0.049   7.422
  210    H    LYS  27           HN       LYS  27   2.228  -2.395   4.854
  211    HA   LYS  27           HA       LYS  27   3.420  -0.787   2.696
  212   1HB   LYS  27          2HB       LYS  27   5.269  -1.944   4.152
  213   2HB   LYS  27          3HB       LYS  27   4.678  -3.453   3.382
  214   1HG   LYS  27          2HG       LYS  27   5.000  -2.442   1.223
  215   2HG   LYS  27          3HG       LYS  27   5.545  -0.940   1.960
  216   1HD   LYS  27          2HD       LYS  27   7.572  -2.114   1.421
  217   2HD   LYS  27          3HD       LYS  27   7.387  -2.140   3.150
  218   1HE   LYS  27          2HE       LYS  27   7.104  -4.358   3.358
  219   2HE   LYS  27          3HE       LYS  27   6.177  -4.520   1.869
  220   1HZ   LYS  27          2HZ       LYS  27   8.835  -3.828   1.261
  221   2HZ   LYS  27          3HZ       LYS  27   8.825  -5.136   2.254
  222   3HZ   LYS  27          1HZ       LYS  27   7.990  -5.175   0.838
  223    QB   LYS  27           QB       LYS  27   4.974  -2.698   3.767
  224    QG   LYS  27           QG       LYS  27   5.273  -1.691   1.591
  225    QD   LYS  27           QD       LYS  27   7.480  -2.127   2.285
  226    QE   LYS  27           QE       LYS  27   6.640  -4.439   2.613
  227    QZ   LYS  27           QZ       LYS  27   8.550  -4.713   1.451
  228    H    CYS  28           HN       CYS  28   2.449  -1.357   0.795
  229    HA   CYS  28           HA       CYS  28   0.523  -3.588   0.795
  230   1HB   CYS  28          2HB       CYS  28  -0.154  -1.370  -0.150
  231   2HB   CYS  28          3HB       CYS  28   1.120  -1.570  -1.365
  232    QB   CYS  28           QB       CYS  28   0.483  -1.470  -0.758
  233    H    ILE  29           HN       ILE  29   0.876  -5.434  -0.306
  234    HA   ILE  29           HA       ILE  29   3.160  -5.714  -2.190
  235    HB   ILE  29           HB       ILE  29   1.752  -7.761  -0.438
  236   1HG1  ILE  29          2HG1      ILE  29   3.279  -6.368   0.908
  237   2HG1  ILE  29          3HG1      ILE  29   3.793  -8.043   0.792
  238   1HG2  ILE  29          3HG2      ILE  29   3.985  -8.142  -2.460
  239   2HG2  ILE  29          1HG2      ILE  29   3.512  -9.342  -1.240
  240   3HG2  ILE  29          2HG2      ILE  29   2.358  -8.845  -2.479
  241   1HD1  ILE  29          3HD1      ILE  29   5.512  -7.433  -0.887
  242   2HD1  ILE  29          1HD1      ILE  29   4.997  -5.729  -0.797
  243   3HD1  ILE  29          2HD1      ILE  29   5.696  -6.530   0.619
  244    QG1  ILE  29           QG1      ILE  29   3.536  -7.205   0.850
  245    QG2  ILE  29           QG2      ILE  29   3.285  -8.776  -2.060
  246    QD1  ILE  29           QD1      ILE  29   5.402  -6.564  -0.355
  247    H    LEU  30           HN       LEU  30   2.401  -5.884  -4.246
  248    HA   LEU  30           HA       LEU  30  -0.460  -6.288  -4.845
  249   1HB   LEU  30          2HB       LEU  30   2.054  -5.856  -6.525
  250   2HB   LEU  30          3HB       LEU  30   0.593  -6.543  -7.229
  251    HG   LEU  30           HG       LEU  30  -0.728  -4.574  -6.546
  252   1HD1  LEU  30          3HD1      LEU  30   1.976  -3.629  -5.533
  253   2HD1  LEU  30          1HD1      LEU  30   0.682  -2.499  -5.962
  254   3HD1  LEU  30          2HD1      LEU  30   0.441  -3.667  -4.647
  255   1HD2  LEU  30          2HD2      LEU  30   0.268  -4.788  -8.787
  256   2HD2  LEU  30          3HD2      LEU  30   0.221  -3.101  -8.266
  257   3HD2  LEU  30          1HD2      LEU  30   1.756  -3.998  -8.216
  258    QB   LEU  30           QB       LEU  30   1.323  -6.199  -6.877
  259    QD1  LEU  30           QD1      LEU  30   1.033  -3.265  -5.381
  260    QD2  LEU  30           QD2      LEU  30   0.749  -3.963  -8.423
  261    QQD  LEU  30           QQD      LEU  30   0.891  -3.614  -6.902
  262    H    GLY  31           HN       GLY  31  -1.233  -8.143  -5.891
  263   1HA   GLY  31          1HA       GLY  31  -0.011 -10.662  -5.133
  264   2HA   GLY  31          2HA       GLY  31  -1.461 -10.398  -6.104
  265    QA   GLY  31           QA       GLY  31  -0.736 -10.530  -5.619
  266    H    SER  32           HN       SER  32   0.761 -12.272  -6.515
  267    HA   SER  32           HA       SER  32   2.319 -11.460  -8.837
  268   1HB   SER  32          2HB       SER  32   3.030 -13.948  -8.381
  269   2HB   SER  32          3HB       SER  32   3.517 -12.653  -7.260
  270    HG   SER  32           HG       SER  32   2.639 -14.443  -6.161
  271    QB   SER  32           QB       SER  32   3.273 -13.301  -7.820
  272    H    ASN  33           HN       ASP  33   0.152 -11.082  -9.842
  273    HA   ASN  33           HA       ASP  33  -1.452 -11.655 -11.409
  274   1HB   ASN  33          2HB       ASP  33  -0.563 -12.883 -13.352
  275   2HB   ASN  33          3HB       ASP  33   0.505 -11.604 -12.768
  276    QB   ASN  33           QB       ASP  33  -0.029 -12.243 -13.060
  277    H    GLY  34           HN       GLY  34  -1.980 -12.947  -9.091
  278   1HA   GLY  34          1HA       GLY  34  -3.823 -14.980  -9.879
  279   2HA   GLY  34          2HA       GLY  34  -2.371 -15.725  -9.172
  280    QA   GLY  34           QA       GLY  34  -3.097 -15.352  -9.525
  281    H    GLU  35           HN       GLU  35  -1.578 -14.343  -7.097
  282    HA   GLU  35           HA       GLU  35  -3.723 -14.350  -5.168
  283   1HB   GLU  35          2HB       GLU  35  -0.815 -13.443  -5.114
  284   2HB   GLU  35          3HB       GLU  35  -1.901 -13.153  -3.750
  285   1HG   GLU  35          2HG       GLU  35  -2.439 -15.543  -3.605
  286   2HG   GLU  35          3HG       GLU  35  -1.373 -15.883  -4.982
  287    QB   GLU  35           QB       GLU  35  -1.358 -13.298  -4.432
  288    QG   GLU  35           QG       GLU  35  -1.906 -15.713  -4.294
  289    H    LYS  36           HN       LYS  36  -4.107 -12.406  -3.791
  290    HA   LYS  36           HA       LYS  36  -4.918 -10.123  -5.524
  291   1HB   LYS  36          2HB       LYS  36  -5.962 -11.026  -2.800
  292   2HB   LYS  36          3HB       LYS  36  -6.551  -9.683  -3.775
  293   1HG   LYS  36          2HG       LYS  36  -8.056 -11.169  -4.602
  294   2HG   LYS  36          3HG       LYS  36  -6.723 -11.660  -5.633
  295   1HD   LYS  36          2HD       LYS  36  -7.386 -13.709  -4.847
  296   2HD   LYS  36          3HD       LYS  36  -6.151 -13.328  -3.643
  297   1HE   LYS  36          2HE       LYS  36  -8.033 -12.381  -2.166
  298   2HE   LYS  36          3HE       LYS  36  -9.184 -12.959  -3.383
  299   1HZ   LYS  36          2HZ       LYS  36  -8.355 -15.195  -2.989
  300   2HZ   LYS  36          3HZ       LYS  36  -7.358 -14.639  -1.798
  301   3HZ   LYS  36          1HZ       LYS  36  -8.989 -14.530  -1.626
  302    QB   LYS  36           QB       LYS  36  -6.256 -10.355  -3.287
  303    QG   LYS  36           QG       LYS  36  -7.390 -11.414  -5.117
  304    QD   LYS  36           QD       LYS  36  -6.768 -13.519  -4.245
  305    QE   LYS  36           QE       LYS  36  -8.609 -12.670  -2.774
  306    QZ   LYS  36           QZ       LYS  36  -8.234 -14.788  -2.138
  307    H    ASN  37           HN       ASN  37  -4.951  -8.028  -4.155
  308    HA   ASN  37           HA       ASN  37  -2.318  -7.314  -3.317
  309   1HB   ASN  37          2HB       ASN  37  -5.075  -6.127  -2.916
  310   2HB   ASN  37          3HB       ASN  37  -3.611  -5.313  -2.347
  311   1HD2  ASN  37          2HD2      ASN  37  -2.623  -4.144  -5.531
  312   2HD2  ASN  37          1HD2      ASN  37  -2.150  -4.365  -3.852
  313    QB   ASN  37           QB       ASN  37  -4.343  -5.720  -2.632
  314    QD2  ASN  37           QD2      ASN  37  -2.387  -4.255  -4.692
  315    H    GLN  38           HN       GLN  38  -1.452  -6.938  -1.227
  316    HA   GLN  38           HA       GLN  38  -3.049  -7.797   1.146
  317   1HB   GLN  38          2HB       GLN  38  -0.164  -8.634   0.686
  318   2HB   GLN  38          3HB       GLN  38  -1.289  -9.183   1.933
  319   1HG   GLN  38          2HG       GLN  38  -2.647 -10.312   0.104
  320   2HG   GLN  38          3HG       GLN  38  -1.411  -9.815  -1.060
  321   1HE2  GLN  38          2HE2      GLN  38  -0.664 -12.966   1.394
  322   2HE2  GLN  38          1HE2      GLN  38  -2.109 -11.990   1.638
  323    QB   GLN  38           QB       GLN  38  -0.727  -8.909   1.309
  324    QG   GLN  38           QG       GLN  38  -2.029 -10.063  -0.478
  325    QE2  GLN  38           QE2      GLN  38  -1.387 -12.478   1.516
  326    H    CYS  39           HN       CYS  39  -2.872  -6.207   2.719
  327    HA   CYS  39           HA       CYS  39  -0.619  -4.223   2.534
  328   1HB   CYS  39          2HB       CYS  39  -2.840  -3.215   2.371
  329   2HB   CYS  39          3HB       CYS  39  -3.321  -4.029   3.864
  330    QB   CYS  39           QB       CYS  39  -3.081  -3.622   3.118
  331    H    VAL  40           HN       VAL  40   1.024  -5.079   3.731
  332    HA   VAL  40           HA       VAL  40   0.374  -6.331   6.394
  333    HB   VAL  40           HB       VAL  40   2.344  -7.616   6.190
  334   1HG1  VAL  40          1HG1      VAL  40   0.375  -8.370   4.796
  335   2HG1  VAL  40          2HG1      VAL  40   1.161  -7.638   3.375
  336   3HG1  VAL  40          3HG1      VAL  40   1.947  -8.975   4.232
  337   1HG2  VAL  40          3HG2      VAL  40   3.085  -5.937   3.754
  338   2HG2  VAL  40          1HG2      VAL  40   3.962  -6.049   5.302
  339   3HG2  VAL  40          2HG2      VAL  40   3.889  -7.451   4.222
  340    QG1  VAL  40           QG1      VAL  40   1.161  -8.328   4.134
  341    QG2  VAL  40           QG2      VAL  40   3.646  -6.479   4.426
  342    QQG  VAL  40           QQG      VAL  40   2.403  -7.403   4.280
  343    H    THR  41           HN       THR  41   2.428  -6.040   7.914
  344    HA   THR  41           HA       THR  41   2.743  -3.126   8.109
  345    HB   THR  41           HB       THR  41   3.581  -4.928  10.323
  346    HG1  THR  41          1HG       THR  41   1.282  -5.048  10.881
  347   1HG2  THR  41          3HG2      THR  41   3.546  -2.425  10.446
  348   2HG2  THR  41          1HG2      THR  41   1.804  -2.447  10.087
  349   3HG2  THR  41          2HG2      THR  41   2.404  -3.157  11.600
  350    QG2  THR  41           QG2      THR  41   2.585  -2.676  10.711
  351    H    GLY  42           HN       GLY  42   4.824  -2.098   8.229
  352   1HA   GLY  42          1HA       GLY  42   7.293  -3.345   8.486
  353   2HA   GLY  42          2HA       GLY  42   6.871  -3.618   6.798
  354    QA   GLY  42           QA       GLY  42   7.082  -3.482   7.642
  355    H    GLU  43           HN       GLU  43   5.375  -0.899   6.867
  356    HA   GLU  43           HA       GLU  43   5.737   1.110   6.043
  357   1HB   GLU  43          2HB       GLU  43   7.234   1.303   8.196
  358   2HB   GLU  43          3HB       GLU  43   8.583   1.201   7.058
  359   1HG   GLU  43          2HG       GLU  43   7.414   3.154   5.785
  360   2HG   GLU  43          3HG       GLU  43   6.402   3.315   7.234
  361    QB   GLU  43           QB       GLU  43   7.908   1.252   7.627
  362    QG   GLU  43           QG       GLU  43   6.908   3.234   6.509
  363    H    GLY  44           HN       GLY  44   6.563   2.132   4.121
  364   1HA   GLY  44          1HA       GLY  44   8.706   0.910   2.578
  365   2HA   GLY  44          2HA       GLY  44   7.069   0.602   1.965
  366    QA   GLY  44           QA       GLY  44   7.888   0.756   2.272
  367    H    THR  45           HN       THR  45   8.285   1.917   0.158
  368    HA   THR  45           HA       THR  45   8.476   4.734   0.472
  369    HB   THR  45           HB       THR  45   8.198   3.070  -2.065
  370    HG1  THR  45          1HG       THR  45  10.455   3.679  -0.446
  371   1HG2  THR  45          2HG2      THR  45   9.614   5.728  -1.543
  372   2HG2  THR  45          3HG2      THR  45   9.635   4.814  -3.063
  373   3HG2  THR  45          1HG2      THR  45   8.117   5.514  -2.485
  374    QG2  THR  45           QG2      THR  45   9.122   5.352  -2.364
  375    HA   PRO  46           HA       PRO  46   4.063   5.526  -0.221
  376   1HB   PRO  46          2HB       PRO  46   4.048   8.227  -0.553
  377   2HB   PRO  46          3HB       PRO  46   4.338   7.443   1.027
  378   1HG   PRO  46          2HG       PRO  46   6.408   8.492  -0.929
  379   2HG   PRO  46          3HG       PRO  46   6.324   8.807   0.830
  380   1HD   PRO  46          2HD       PRO  46   7.935   6.853  -0.229
  381   2HD   PRO  46          3HD       PRO  46   7.107   6.610   1.338
  382    QB   PRO  46           QB       PRO  46   4.193   7.835   0.237
  383    QG   PRO  46           QG       PRO  46   6.366   8.650  -0.049
  384    QD   PRO  46           QD       PRO  46   7.521   6.732   0.555
  385    H    LYS  47           HN       LYS  47   2.775   5.508  -2.051
  386    HA   LYS  47           HA       LYS  47   3.859   5.370  -4.581
  387   1HB   LYS  47          2HB       LYS  47   1.245   5.271  -3.455
  388   2HB   LYS  47          3HB       LYS  47   1.146   6.533  -4.670
  389   1HG   LYS  47          2HG       LYS  47   2.495   4.554  -6.073
  390   2HG   LYS  47          3HG       LYS  47   1.639   3.597  -4.936
  391   1HD   LYS  47          2HD       LYS  47  -0.512   4.424  -5.682
  392   2HD   LYS  47          3HD       LYS  47   0.208   5.721  -6.643
  393   1HE   LYS  47          2HE       LYS  47   0.948   2.837  -7.162
  394   2HE   LYS  47          3HE       LYS  47  -0.591   3.451  -7.793
  395   1HZ   LYS  47          2HZ       LYS  47   1.863   4.898  -8.421
  396   2HZ   LYS  47          3HZ       LYS  47   1.455   3.494  -9.186
  397   3HZ   LYS  47          1HZ       LYS  47   0.425   4.813  -9.240
  398    QB   LYS  47           QB       LYS  47   1.196   5.902  -4.063
  399    QG   LYS  47           QG       LYS  47   2.067   4.076  -5.505
  400    QD   LYS  47           QD       LYS  47  -0.152   5.073  -6.163
  401    QE   LYS  47           QE       LYS  47   0.179   3.144  -7.477
  402    QZ   LYS  47           QZ       LYS  47   1.248   4.401  -8.949
  403    HA   PRO  48           HA       PRO  48   4.599   9.589  -5.846
  404   1HB   PRO  48          2HB       PRO  48   4.262   9.521  -8.573
  405   2HB   PRO  48          3HB       PRO  48   5.664   8.797  -7.733
  406   1HG   PRO  48          2HG       PRO  48   3.275   7.432  -8.910
  407   2HG   PRO  48          3HG       PRO  48   4.954   6.839  -8.771
  408   1HD   PRO  48          2HD       PRO  48   2.749   6.312  -7.081
  409   2HD   PRO  48          3HD       PRO  48   4.458   5.853  -6.733
  410    QB   PRO  48           QB       PRO  48   4.963   9.159  -8.153
  411    QG   PRO  48           QG       PRO  48   4.114   7.135  -8.841
  412    QD   PRO  48           QD       PRO  48   3.604   6.082  -6.907
  413    H    GLN  49           HN       GLN  49   3.431  11.487  -6.463
  414    HA   GLN  49           HA       GLN  49   0.559  11.223  -6.025
  415   1HB   GLN  49          2HB       GLN  49   2.339  12.700  -4.763
  416   2HB   GLN  49          3HB       GLN  49   2.153  13.805  -6.124
  417   1HG   GLN  49          2HG       GLN  49  -0.051  12.717  -4.313
  418   2HG   GLN  49          3HG       GLN  49   0.703  14.312  -4.153
  419   1HE2  GLN  49          2HE2      GLN  49  -2.578  14.337  -6.224
  420   2HE2  GLN  49          1HE2      GLN  49  -2.187  13.359  -4.824
  421    QB   GLN  49           QB       GLN  49   2.246  13.252  -5.443
  422    QG   GLN  49           QG       GLN  49   0.326  13.514  -4.233
  423    QE2  GLN  49           QE2      GLN  49  -2.383  13.848  -5.524
  424    H    SER  50           HN       SER  50  -0.796  11.352  -7.758
  425    HA   SER  50           HA       SER  50  -1.735  11.828  -9.737
  426   1HB   SER  50          2HB       SER  50  -0.705  14.137  -9.500
  427   2HB   SER  50          3HB       SER  50   0.599  13.605 -10.593
  428    HG   SER  50           HG       SER  50  -0.742  13.287 -12.206
  429    QB   SER  50           QB       SER  50  -0.053  13.871 -10.047
  430    H    HIS  51           HN       HIS  51  -1.667  10.942 -11.796
  431    HA   HIS  51           HA       HIS  51  -1.170   9.354 -13.296
  432   1HB   HIS  51          2HB       HIS  51   0.445  11.141 -13.909
  433   2HB   HIS  51          3HB       HIS  51   1.688  10.302 -12.964
  434    HD1  HIS  51           HD1      HIS  51   1.869   7.589 -13.822
  435    HD2  HIS  51           HD2      HIS  51   0.579  10.580 -16.459
  436    HE1  HIS  51           HE1      HIS  51   2.361   6.724 -16.241
  437    QB   HIS  51           QB       HIS  51   1.066  10.721 -13.436
   
  Start of MODEL          10
 Raw file had 437 H/Q atoms
  Start of MODEL   10
    1    H    VAL   1           HN       VAL   1 -11.261  12.836  -1.109
    2    HA   VAL   1           HA       VAL   1  -9.782  11.286   0.159
    3    HB   VAL   1           HB       VAL   1 -11.231  10.928   2.027
    4   1HG1  VAL   1          2HG1      VAL   1 -13.272   9.898   0.054
    5   2HG1  VAL   1          3HG1      VAL   1 -13.251   9.315   1.718
    6   3HG1  VAL   1          1HG1      VAL   1 -13.427  11.040   1.391
    7   1HG2  VAL   1          1HG2      VAL   1  -9.987   8.752   0.582
    8   2HG2  VAL   1          2HG2      VAL   1 -10.090   9.072   2.316
    9   3HG2  VAL   1          3HG2      VAL   1 -11.361   8.149   1.500
   10    QG1  VAL   1           QG1      VAL   1 -13.317  10.084   1.054
   11    QG2  VAL   1           QG2      VAL   1 -10.479   8.658   1.466
   12    QQG  VAL   1           QQG      VAL   1 -11.898   9.371   1.260
   13    H    VAL   2           HN       VAL   2  -9.359  11.382  -2.200
   14    HA   VAL   2           HA       VAL   2 -10.575   9.065  -3.654
   15    HB   VAL   2           HB       VAL   2  -9.676  11.749  -4.754
   16   1HG1  VAL   2          2HG1      VAL   2  -9.711   9.174  -6.034
   17   2HG1  VAL   2          3HG1      VAL   2 -11.097  10.075  -6.647
   18   3HG1  VAL   2          1HG1      VAL   2  -9.472  10.769  -6.760
   19   1HG2  VAL   2          3HG2      VAL   2 -12.408  10.431  -4.440
   20   2HG2  VAL   2          1HG2      VAL   2 -11.863  11.965  -3.732
   21   3HG2  VAL   2          2HG2      VAL   2 -12.111  11.841  -5.478
   22    QG1  VAL   2           QG1      VAL   2 -10.093  10.006  -6.480
   23    QG2  VAL   2           QG2      VAL   2 -12.127  11.413  -4.550
   24    QQG  VAL   2           QQG      VAL   2 -11.110  10.709  -5.515
   25    OH   TYR   3           OH       TYR   3  -6.101   9.723   2.368
   26    H    TYR   3           HN       TYR   3  -9.095   7.533  -3.400
   27    HA   TYR   3           HA       TYR   3  -6.221   8.199  -3.723
   28   1HB   TYR   3          2HB       TYR   3  -7.533   5.937  -2.241
   29   2HB   TYR   3          3HB       TYR   3  -5.789   6.095  -2.464
   30    HD1  TYR   3           HD2      TYR   3  -4.802   8.517  -1.805
   31    HD2  TYR   3           HD1      TYR   3  -8.387   6.741  -0.190
   32    HE1  TYR   3           HE2      TYR   3  -4.601   9.936   0.218
   33    HE2  TYR   3           HE1      TYR   3  -8.078   8.045   1.891
   34    HH   TYR   3           HH       TYR   3  -6.638   9.386   3.090
   35    QB   TYR   3           QB       TYR   3  -6.661   6.016  -2.352
   36    QR   TYR   3           QR       TYR   3  -6.467   8.310   0.029
   37    H    THR   4           HN       THR   4  -5.236   5.707  -4.397
   38    HA   THR   4           HA       THR   4  -6.743   4.687  -6.713
   39    HB   THR   4           HB       THR   4  -4.821   5.000  -8.211
   40    HG1  THR   4          1HG       THR   4  -3.809   6.449  -5.990
   41   1HG2  THR   4          2HG2      THR   4  -6.601   6.788  -8.184
   42   2HG2  THR   4          3HG2      THR   4  -5.612   7.715  -7.036
   43   3HG2  THR   4          1HG2      THR   4  -5.000   7.392  -8.662
   44    QG2  THR   4           QG2      THR   4  -5.738   7.298  -7.961
   45    H    ASP   5           HN       ASP   5  -5.689   2.675  -7.558
   46    HA   ASP   5           HA       ASP   5  -4.881   1.051  -5.401
   47   1HB   ASP   5          2HB       ASP   5  -5.047   0.567  -8.397
   48   2HB   ASP   5          3HB       ASP   5  -4.554  -0.685  -7.255
   49    QB   ASP   5           QB       ASP   5  -4.801  -0.059  -7.826
   50    H    CYS   6           HN       CYS   6  -2.931  -0.494  -5.546
   51    HA   CYS   6           HA       CYS   6  -0.563   1.290  -5.728
   52   1HB   CYS   6          2HB       CYS   6  -0.831  -1.508  -4.591
   53   2HB   CYS   6          3HB       CYS   6   0.685  -0.626  -4.776
   54    QB   CYS   6           QB       CYS   6  -0.073  -1.067  -4.683
   55    H    THR   7           HN       THR   7   1.196   0.968  -7.074
   56    HA   THR   7           HA       THR   7   0.530  -0.672  -9.470
   57    HB   THR   7           HB       THR   7   1.665   0.938 -10.747
   58    HG1  THR   7          1HG       THR   7   3.390   1.657  -9.686
   59   1HG2  THR   7          2HG2      THR   7  -0.627   1.605  -9.902
   60   2HG2  THR   7          3HG2      THR   7   0.165   2.501  -8.594
   61   3HG2  THR   7          1HG2      THR   7   0.434   2.985 -10.272
   62    QG2  THR   7           QG2      THR   7  -0.009   2.363  -9.589
   63    H    GLU   8           HN       GLU   8   2.756  -0.518  -6.808
   64    HA   GLU   8           HA       GLU   8   4.386  -2.676  -7.953
   65   1HB   GLU   8          2HB       GLU   8   6.441  -1.393  -7.126
   66   2HB   GLU   8          3HB       GLU   8   5.701  -0.786  -8.618
   67   1HG   GLU   8          2HG       GLU   8   4.609   1.035  -7.418
   68   2HG   GLU   8          3HG       GLU   8   5.191   0.384  -5.874
   69    QB   GLU   8           QB       GLU   8   6.071  -1.089  -7.872
   70    QG   GLU   8           QG       GLU   8   4.900   0.709  -6.646
   71    H    SER   9           HN       SER   9   5.449  -3.916  -6.273
   72    HA   SER   9           HA       SER   9   4.003  -4.026  -3.805
   73   1HB   SER   9          2HB       SER   9   6.456  -5.443  -4.890
   74   2HB   SER   9          3HB       SER   9   6.003  -5.622  -3.191
   75    HG   SER   9           HG       SER   9   5.048  -7.218  -4.554
   76    QB   SER   9           QB       SER   9   6.229  -5.532  -4.041
   77    H    GLY  10           HN       GLY  10   4.795  -3.712  -1.668
   78   1HA   GLY  10          1HA       GLY  10   6.267  -2.964   0.002
   79   2HA   GLY  10          2HA       GLY  10   7.459  -2.515  -1.220
   80    QA   GLY  10           QA       GLY  10   6.863  -2.739  -0.609
   81    H    GLN  11           HN       GLN  11   4.411  -1.351  -2.139
   82    HA   GLN  11           HA       GLN  11   5.264   1.339  -1.426
   83   1HB   GLN  11          2HB       GLN  11   4.524   0.307  -3.802
   84   2HB   GLN  11          3HB       GLN  11   2.904   0.727  -3.216
   85   1HG   GLN  11          2HG       GLN  11   3.709   3.104  -2.936
   86   2HG   GLN  11          3HG       GLN  11   5.286   2.576  -3.561
   87   1HE2  GLN  11          2HE2      GLN  11   4.351   3.409  -6.768
   88   2HE2  GLN  11          1HE2      GLN  11   5.288   3.836  -5.379
   89    QB   GLN  11           QB       GLN  11   3.714   0.517  -3.509
   90    QG   GLN  11           QG       GLN  11   4.498   2.840  -3.249
   91    QE2  GLN  11           QE2      GLN  11   4.820   3.622  -6.073
   92    H    ASN  12           HN       ASN  12   3.452   2.921  -0.857
   93    HA   ASN  12           HA       ASN  12   1.042   1.690   0.318
   94   1HB   ASN  12          2HB       ASN  12   1.423   2.417   2.540
   95   2HB   ASN  12          3HB       ASN  12   2.891   1.627   2.036
   96   1HD2  ASN  12          2HD2      ASN  12   4.786   4.392   3.079
   97   2HD2  ASN  12          1HD2      ASN  12   4.529   2.657   3.066
   98    QB   ASN  12           QB       ASN  12   2.157   2.022   2.288
   99    QD2  ASN  12           QD2      ASN  12   4.658   3.524   3.073
  100    H    LEU  13           HN       LEU  13  -0.080   3.712   1.539
  101    HA   LEU  13           HA       LEU  13  -1.447   5.399   1.182
  102   1HB   LEU  13          2HB       LEU  13   1.150   6.426   0.168
  103   2HB   LEU  13          3HB       LEU  13  -0.208   7.229  -0.587
  104    HG   LEU  13           HG       LEU  13   0.395   7.053   2.382
  105   1HD1  LEU  13          3HD1      LEU  13   1.753   8.604   1.000
  106   2HD1  LEU  13          1HD1      LEU  13   0.268   9.346   0.369
  107   3HD1  LEU  13          2HD1      LEU  13   0.679   9.497   2.091
  108   1HD2  LEU  13          3HD2      LEU  13  -2.089   8.001   0.908
  109   2HD2  LEU  13          1HD2      LEU  13  -1.974   7.085   2.431
  110   3HD2  LEU  13          2HD2      LEU  13  -1.581   8.800   2.410
  111    QB   LEU  13           QB       LEU  13   0.471   6.828  -0.210
  112    QD1  LEU  13           QD1      LEU  13   0.900   9.149   1.154
  113    QD2  LEU  13           QD2      LEU  13  -1.881   7.962   1.916
  114    QQD  LEU  13           QQD      LEU  13  -0.491   8.555   1.535
  115    H    CYS  14           HN       CYS  14  -1.717   3.092  -0.341
  116    HA   CYS  14           HA       CYS  14  -3.354   4.137  -2.511
  117   1HB   CYS  14          2HB       CYS  14  -2.284   2.461  -4.123
  118   2HB   CYS  14          3HB       CYS  14  -1.494   3.988  -3.746
  119    QB   CYS  14           QB       CYS  14  -1.889   3.225  -3.935
  120    H    LEU  15           HN       LEU  15  -4.843   2.644  -3.313
  121    HA   LEU  15           HA       LEU  15  -6.111   1.245  -1.115
  122   1HB   LEU  15          2HB       LEU  15  -6.914   1.404  -4.060
  123   2HB   LEU  15          3HB       LEU  15  -7.934   0.925  -2.699
  124    HG   LEU  15           HG       LEU  15  -6.869   3.700  -3.284
  125   1HD1  LEU  15          1HD1      LEU  15  -8.950   2.871  -4.472
  126   2HD1  LEU  15          2HD1      LEU  15  -9.717   2.718  -2.876
  127   3HD1  LEU  15          3HD1      LEU  15  -9.189   4.306  -3.456
  128   1HD2  LEU  15          1HD2      LEU  15  -8.069   2.518  -0.765
  129   2HD2  LEU  15          2HD2      LEU  15  -6.703   3.643  -0.937
  130   3HD2  LEU  15          3HD2      LEU  15  -8.373   4.205  -1.173
  131    QB   LEU  15           QB       LEU  15  -7.424   1.164  -3.380
  132    QD1  LEU  15           QD1      LEU  15  -9.285   3.298  -3.602
  133    QD2  LEU  15           QD2      LEU  15  -7.715   3.455  -0.958
  134    QQD  LEU  15           QQD      LEU  15  -8.500   3.377  -2.280
  135    H    CYS  16           HN       CYS  16  -5.378  -0.654  -0.521
  136    HA   CYS  16           HA       CYS  16  -4.010  -2.420  -2.519
  137   1HB   CYS  16          2HB       CYS  16  -2.746  -1.544  -0.531
  138   2HB   CYS  16          3HB       CYS  16  -3.869  -2.416   0.508
  139    QB   CYS  16           QB       CYS  16  -3.307  -1.980  -0.011
  140    H    GLU  17           HN       GLU  17  -5.901  -2.706   0.468
  141    HA   GLU  17           HA       GLU  17  -7.329  -5.120  -0.529
  142   1HB   GLU  17          2HB       GLU  17  -6.401  -4.173   2.150
  143   2HB   GLU  17          3HB       GLU  17  -8.057  -4.783   2.113
  144   1HG   GLU  17          2HG       GLU  17  -5.769  -6.354   0.867
  145   2HG   GLU  17          3HG       GLU  17  -6.245  -6.520   2.567
  146    QB   GLU  17           QB       GLU  17  -7.229  -4.478   2.131
  147    QG   GLU  17           QG       GLU  17  -6.007  -6.437   1.717
  148    H    ASP  18           HN       GLY  18  -8.824  -4.186  -1.870
  149   1HA   ASP  18          1HA       GLY  18 -10.830  -3.178  -2.408
  150   2HA   ASP  18          2HA       GLY  18 -11.203  -3.230  -0.674
  151    QA   ASP  18           QA       GLY  18 -11.017  -3.204  -1.541
  152    H    SER  19           HN       SER  19 -11.923  -1.191  -0.178
  153    HA   SER  19           HA       SER  19 -10.696   1.196  -1.397
  154   1HB   SER  19          2HB       SER  19 -13.191   0.896  -1.019
  155   2HB   SER  19          3HB       SER  19 -12.870   1.026   0.723
  156    HG   SER  19           HG       SER  19 -13.036   3.096   0.344
  157    QB   SER  19           QB       SER  19 -13.030   0.961  -0.148
  158    H    ASN  20           HN       ASN  20  -9.786  -0.856   1.150
  159    HA   ASN  20           HA       ASN  20  -9.328   1.110   3.181
  160   1HB   ASN  20          2HB       ASN  20  -8.040  -1.618   2.934
  161   2HB   ASN  20          3HB       ASN  20  -8.210  -0.619   4.368
  162   1HD2  ASN  20          2HD2      ASN  20 -11.046  -2.547   5.206
  163   2HD2  ASN  20          1HD2      ASN  20  -9.435  -2.006   5.655
  164    QB   ASN  20           QB       ASN  20  -8.125  -1.118   3.651
  165    QD2  ASN  20           QD2      ASN  20 -10.241  -2.277   5.430
  166    H    VAL  21           HN       VAL  21  -7.680   2.514   3.297
  167    HA   VAL  21           HA       VAL  21  -5.721   2.571   1.148
  168    HB   VAL  21           HB       VAL  21  -5.915   4.500   3.483
  169   1HG1  VAL  21          1HG1      VAL  21  -5.069   4.762   0.553
  170   2HG1  VAL  21          2HG1      VAL  21  -5.156   6.113   1.695
  171   3HG1  VAL  21          3HG1      VAL  21  -4.004   4.798   1.970
  172   1HG2  VAL  21          3HG2      VAL  21  -7.699   4.559   1.032
  173   2HG2  VAL  21          1HG2      VAL  21  -8.223   4.341   2.712
  174   3HG2  VAL  21          2HG2      VAL  21  -7.495   5.852   2.231
  175    QG1  VAL  21           QG1      VAL  21  -4.743   5.224   1.406
  176    QG2  VAL  21           QG2      VAL  21  -7.806   4.918   1.992
  177    QQG  VAL  21           QQG      VAL  21  -6.274   5.071   1.699
  178    H    CYS  22           HN       CYS  22  -3.627   1.810   1.353
  179    HA   CYS  22           HA       CYS  22  -2.822   0.661   3.902
  180   1HB   CYS  22          2HB       CYS  22  -2.306  -0.245   1.608
  181   2HB   CYS  22          3HB       CYS  22  -1.145   1.066   1.403
  182    QB   CYS  22           QB       CYS  22  -1.725   0.411   1.505
  183    H    GLY  23           HN       GLY  23  -2.756   2.469   5.380
  184   1HA   GLY  23          1HA       GLY  23  -1.376   4.879   4.966
  185   2HA   GLY  23          2HA       GLY  23  -1.661   4.137   6.545
  186    QA   GLY  23           QA       GLY  23  -1.519   4.508   5.755
  187    H    GLN  24           HN       GLN  24   0.647   5.678   5.891
  188    HA   GLN  24           HA       GLN  24   2.985   4.283   5.393
  189   1HB   GLN  24          2HB       GLN  24   4.035   5.924   7.015
  190   2HB   GLN  24          3HB       GLN  24   3.120   6.644   5.690
  191   1HG   GLN  24          2HG       GLN  24   1.409   7.398   7.061
  192   2HG   GLN  24          3HG       GLN  24   1.622   6.121   8.263
  193   1HE2  GLN  24          2HE2      GLN  24   4.121   7.818  10.137
  194   2HE2  GLN  24          1HE2      GLN  24   3.490   6.231   9.737
  195    QB   GLN  24           QB       GLN  24   3.577   6.284   6.353
  196    QG   GLN  24           QG       GLN  24   1.516   6.760   7.662
  197    QE2  GLN  24           QE2      GLN  24   3.806   7.024   9.937
  198    H    GLY  25           HN       GLY  25   4.605   3.355   6.823
  199   1HA   GLY  25          1HA       GLY  25   5.300   2.159   8.746
  200   2HA   GLY  25          2HA       GLY  25   3.667   2.219   9.415
  201    QA   GLY  25           QA       GLY  25   4.483   2.189   9.081
  202    H    ASN  26           HN       ASN  26   2.709   1.491   6.553
  203    HA   ASN  26           HA       ASN  26   3.155  -1.413   6.648
  204   1HB   ASN  26          2HB       ASN  26   0.692   0.096   5.635
  205   2HB   ASN  26          3HB       ASN  26   0.816  -1.628   5.964
  206   1HD2  ASN  26          2HD2      ASN  26  -1.170  -0.517   8.755
  207   2HD2  ASN  26          1HD2      ASN  26  -1.351  -0.829   7.035
  208    QB   ASN  26           QB       ASN  26   0.754  -0.766   5.799
  209    QD2  ASN  26           QD2      ASN  26  -1.260  -0.673   7.895
  210    H    LYS  27           HN       LYS  27   2.705  -2.489   4.474
  211    HA   LYS  27           HA       LYS  27   3.091  -0.789   2.138
  212   1HB   LYS  27          2HB       LYS  27   4.735  -3.167   1.845
  213   2HB   LYS  27          3HB       LYS  27   5.091  -1.455   1.619
  214   1HG   LYS  27          2HG       LYS  27   6.684  -2.071   3.088
  215   2HG   LYS  27          3HG       LYS  27   5.481  -1.382   4.150
  216   1HD   LYS  27          2HD       LYS  27   5.640  -3.306   5.363
  217   2HD   LYS  27          3HD       LYS  27   4.603  -3.984   4.133
  218   1HE   LYS  27          2HE       LYS  27   6.518  -5.443   4.534
  219   2HE   LYS  27          3HE       LYS  27   6.580  -4.817   2.877
  220   1HZ   LYS  27          1HZ       LYS  27   8.109  -3.655   5.126
  221   2HZ   LYS  27          2HZ       LYS  27   8.733  -4.765   4.075
  222   3HZ   LYS  27          3HZ       LYS  27   8.270  -3.272   3.569
  223    QB   LYS  27           QB       LYS  27   4.913  -2.311   1.732
  224    QG   LYS  27           QG       LYS  27   6.083  -1.727   3.619
  225    QD   LYS  27           QD       LYS  27   5.122  -3.645   4.748
  226    QE   LYS  27           QE       LYS  27   6.549  -5.130   3.705
  227    QZ   LYS  27           QZ       LYS  27   8.370  -3.897   4.257
  228    H    CYS  28           HN       CYS  28   2.180  -1.613   0.351
  229    HA   CYS  28           HA       CYS  28   0.399  -3.956   0.450
  230   1HB   CYS  28          2HB       CYS  28  -0.310  -1.712  -0.431
  231   2HB   CYS  28          3HB       CYS  28   0.915  -1.904  -1.697
  232    QB   CYS  28           QB       CYS  28   0.303  -1.808  -1.064
  233    H    ILE  29           HN       ILE  29   1.209  -5.912  -0.180
  234    HA   ILE  29           HA       ILE  29   3.445  -5.938  -2.202
  235    HB   ILE  29           HB       ILE  29   2.297  -7.961  -0.278
  236   1HG1  ILE  29          2HG1      ILE  29   4.593  -8.101   0.530
  237   2HG1  ILE  29          3HG1      ILE  29   5.074  -6.792  -0.573
  238   1HG2  ILE  29          3HG2      ILE  29   4.234  -8.444  -2.555
  239   2HG2  ILE  29          1HG2      ILE  29   4.031  -9.541  -1.173
  240   3HG2  ILE  29          2HG2      ILE  29   2.670  -9.237  -2.243
  241   1HD1  ILE  29          1HD1      ILE  29   2.951  -6.453   1.584
  242   2HD1  ILE  29          2HD1      ILE  29   4.680  -6.224   1.894
  243   3HD1  ILE  29          3HD1      ILE  29   3.868  -5.187   0.726
  244    QG1  ILE  29           QG1      ILE  29   4.833  -7.447  -0.022
  245    QG2  ILE  29           QG2      ILE  29   3.645  -9.074  -1.990
  246    QD1  ILE  29           QD1      ILE  29   3.833  -5.954   1.401
  247    H    LEU  30           HN       LEU  30   2.852  -6.242  -4.370
  248    HA   LEU  30           HA       LEU  30   0.046  -6.736  -5.023
  249   1HB   LEU  30          2HB       LEU  30   2.526  -5.867  -6.449
  250   2HB   LEU  30          3HB       LEU  30   1.414  -6.809  -7.426
  251    HG   LEU  30           HG       LEU  30  -0.439  -5.275  -6.840
  252   1HD1  LEU  30          3HD1      LEU  30   1.821  -3.551  -5.737
  253   2HD1  LEU  30          1HD1      LEU  30   0.174  -2.996  -6.070
  254   3HD1  LEU  30          2HD1      LEU  30   0.459  -4.199  -4.801
  255   1HD2  LEU  30          3HD2      LEU  30   1.990  -4.208  -8.320
  256   2HD2  LEU  30          1HD2      LEU  30   0.615  -5.119  -8.981
  257   3HD2  LEU  30          2HD2      LEU  30   0.377  -3.471  -8.390
  258    QB   LEU  30           QB       LEU  30   1.970  -6.338  -6.937
  259    QD1  LEU  30           QD1      LEU  30   0.818  -3.582  -5.536
  260    QD2  LEU  30           QD2      LEU  30   0.994  -4.266  -8.564
  261    QQD  LEU  30           QQD      LEU  30   0.906  -3.924  -7.050
  262    H    GLY  31           HN       GLY  31   0.236  -8.814  -3.704
  263   1HA   GLY  31          1HA       GLY  31   0.210 -11.148  -3.580
  264   2HA   GLY  31          2HA       GLY  31   0.414 -11.222  -5.335
  265    QA   GLY  31           QA       GLY  31   0.312 -11.185  -4.457
  266    H    SER  32           HN       SER  32   1.933 -13.030  -3.400
  267    HA   SER  32           HA       SER  32   4.107 -12.518  -5.276
  268   1HB   SER  32          2HB       SER  32   5.927 -12.974  -3.479
  269   2HB   SER  32          3HB       SER  32   5.190 -11.375  -3.533
  270    HG   SER  32           HG       SER  32   4.007 -13.376  -1.919
  271    QB   SER  32           QB       SER  32   5.559 -12.175  -3.506
  272    H    ASN  33           HN       ASP  33   2.206 -14.514  -5.437
  273    HA   ASN  33           HA       ASP  33   3.302 -17.077  -5.383
  274   1HB   ASN  33          2HB       ASP  33   2.423 -17.740  -3.032
  275   2HB   ASN  33          3HB       ASP  33   3.928 -16.878  -3.061
  276    QB   ASN  33           QB       ASP  33   3.176 -17.309  -3.047
  277    H    GLY  34           HN       GLY  34   1.250 -15.636  -6.817
  278   1HA   GLY  34          1HA       GLY  34  -0.697 -16.251  -7.833
  279   2HA   GLY  34          2HA       GLY  34  -0.770 -17.678  -6.800
  280    QA   GLY  34           QA       GLY  34  -0.734 -16.964  -7.316
  281    H    GLU  35           HN       GLU  35  -0.473 -15.031  -4.778
  282    HA   GLU  35           HA       GLU  35  -3.378 -14.792  -4.298
  283   1HB   GLU  35          2HB       GLU  35  -0.920 -14.654  -2.685
  284   2HB   GLU  35          3HB       GLU  35  -1.907 -13.240  -2.438
  285   1HG   GLU  35          2HG       GLU  35  -2.499 -14.868  -0.797
  286   2HG   GLU  35          3HG       GLU  35  -3.874 -14.738  -1.900
  287    QB   GLU  35           QB       GLU  35  -1.414 -13.947  -2.561
  288    QG   GLU  35           QG       GLU  35  -3.187 -14.803  -1.349
  289    H    LYS  36           HN       LYS  36  -3.938 -12.592  -3.557
  290    HA   LYS  36           HA       LYS  36  -3.601 -10.612  -5.721
  291   1HB   LYS  36          2HB       LYS  36  -5.491 -10.902  -3.349
  292   2HB   LYS  36          3HB       LYS  36  -5.591  -9.584  -4.506
  293   1HG   LYS  36          2HG       LYS  36  -5.670 -12.432  -5.547
  294   2HG   LYS  36          3HG       LYS  36  -7.086 -11.820  -4.710
  295   1HD   LYS  36          2HD       LYS  36  -5.805 -10.252  -6.970
  296   2HD   LYS  36          3HD       LYS  36  -6.944 -11.573  -7.293
  297   1HE   LYS  36          2HE       LYS  36  -8.706 -10.480  -5.967
  298   2HE   LYS  36          3HE       LYS  36  -7.598  -9.190  -5.487
  299   1HZ   LYS  36          1HZ       LYS  36  -7.422  -8.691  -7.914
  300   2HZ   LYS  36          2HZ       LYS  36  -8.718  -9.682  -8.149
  301   3HZ   LYS  36          3HZ       LYS  36  -8.859  -8.347  -7.200
  302    QB   LYS  36           QB       LYS  36  -5.541 -10.243  -3.927
  303    QG   LYS  36           QG       LYS  36  -6.378 -12.126  -5.129
  304    QD   LYS  36           QD       LYS  36  -6.374 -10.912  -7.131
  305    QE   LYS  36           QE       LYS  36  -8.152  -9.835  -5.727
  306    QZ   LYS  36           QZ       LYS  36  -8.333  -8.907  -7.754
  307    H    ASN  37           HN       ASN  37  -3.755  -8.270  -4.776
  308    HA   ASN  37           HA       ASN  37  -1.544  -7.411  -3.437
  309   1HB   ASN  37          2HB       ASN  37  -4.258  -6.106  -3.176
  310   2HB   ASN  37          3HB       ASN  37  -2.670  -5.346  -3.079
  311   1HD2  ASN  37          2HD2      ASN  37  -2.664  -4.612  -6.514
  312   2HD2  ASN  37          1HD2      ASN  37  -2.092  -4.216  -4.908
  313    QB   ASN  37           QB       ASN  37  -3.464  -5.726  -3.128
  314    QD2  ASN  37           QD2      ASN  37  -2.378  -4.414  -5.711
  315    H    GLN  38           HN       GLN  38  -0.989  -6.910  -1.253
  316    HA   GLN  38           HA       GLN  38  -2.968  -7.283   0.929
  317   1HB   GLN  38          2HB       GLN  38  -1.320  -8.815   2.121
  318   2HB   GLN  38          3HB       GLN  38  -2.277  -9.478   0.809
  319   1HG   GLN  38          2HG       GLN  38  -0.531 -10.076  -0.420
  320   2HG   GLN  38          3HG       GLN  38   0.230  -8.503  -0.262
  321   1HE2  GLN  38          2HE2      GLN  38   2.238  -9.330   2.559
  322   2HE2  GLN  38          1HE2      GLN  38   1.327  -7.999   1.824
  323    QB   GLN  38           QB       GLN  38  -1.799  -9.147   1.465
  324    QG   GLN  38           QG       GLN  38  -0.150  -9.289  -0.341
  325    QE2  GLN  38           QE2      GLN  38   1.783  -8.664   2.192
  326    H    CYS  39           HN       CYS  39  -2.774  -5.537   2.171
  327    HA   CYS  39           HA       CYS  39  -0.255  -4.062   2.384
  328   1HB   CYS  39          2HB       CYS  39  -2.288  -2.743   2.069
  329   2HB   CYS  39          3HB       CYS  39  -3.044  -3.551   3.447
  330    QB   CYS  39           QB       CYS  39  -2.666  -3.147   2.758
  331    H    VAL  40           HN       VAL  40   1.199  -4.724   3.892
  332    HA   VAL  40           HA       VAL  40   0.199  -5.722   6.535
  333    HB   VAL  40           HB       VAL  40   1.913  -7.368   6.576
  334   1HG1  VAL  40          3HG1      VAL  40  -0.170  -7.934   5.326
  335   2HG1  VAL  40          1HG1      VAL  40   0.622  -7.462   3.817
  336   3HG1  VAL  40          2HG1      VAL  40   1.241  -8.837   4.749
  337   1HG2  VAL  40          2HG2      VAL  40   2.967  -6.091   4.024
  338   2HG2  VAL  40          3HG2      VAL  40   3.810  -6.351   5.564
  339   3HG2  VAL  40          1HG2      VAL  40   3.412  -7.730   4.536
  340    QG1  VAL  40           QG1      VAL  40   0.564  -8.078   4.631
  341    QG2  VAL  40           QG2      VAL  40   3.396  -6.724   4.708
  342    QQG  VAL  40           QQG      VAL  40   1.980  -7.401   4.670
  343    H    THR  41           HN       THR  41   1.660  -5.333   8.319
  344    HA   THR  41           HA       THR  41   2.804  -2.695   8.262
  345    HB   THR  41           HB       THR  41   1.837  -3.329  10.262
  346    HG1  THR  41          1HG       THR  41   3.581  -3.001  11.655
  347   1HG2  THR  41          2HG2      THR  41   3.688  -5.744  10.304
  348   2HG2  THR  41          3HG2      THR  41   2.713  -5.182  11.683
  349   3HG2  THR  41          1HG2      THR  41   1.909  -5.757  10.223
  350    QG2  THR  41           QG2      THR  41   2.770  -5.561  10.737
  351    H    GLY  42           HN       GLY  42   4.978  -2.082   8.438
  352   1HA   GLY  42          1HA       GLY  42   7.278  -3.060   8.912
  353   2HA   GLY  42          2HA       GLY  42   7.035  -4.055   7.473
  354    QA   GLY  42           QA       GLY  42   7.157  -3.558   8.192
  355    H    GLU  43           HN       GLU  43   6.333  -0.627   8.174
  356    HA   GLU  43           HA       GLU  43   6.722   1.255   7.052
  357   1HB   GLU  43          2HB       GLU  43   9.236   1.775   7.031
  358   2HB   GLU  43          3HB       GLU  43   8.477   1.362   8.568
  359   1HG   GLU  43          2HG       GLU  43   9.392  -0.888   8.523
  360   2HG   GLU  43          3HG       GLU  43  10.047  -0.629   6.891
  361    QB   GLU  43           QB       GLU  43   8.857   1.569   7.799
  362    QG   GLU  43           QG       GLU  43   9.720  -0.758   7.707
  363    H    GLY  44           HN       GLY  44   5.670   0.975   5.061
  364   1HA   GLY  44          1HA       GLY  44   7.255   0.125   2.727
  365   2HA   GLY  44          2HA       GLY  44   5.558   0.615   2.764
  366    QA   GLY  44           QA       GLY  44   6.406   0.370   2.745
  367    H    THR  45           HN       THR  45   6.884   1.475   0.729
  368    HA   THR  45           HA       THR  45   7.901   4.225   1.218
  369    HB   THR  45           HB       THR  45   7.888   2.323  -1.152
  370    HG1  THR  45          1HG       THR  45   9.318   2.192   0.826
  371   1HG2  THR  45          2HG2      THR  45   7.815   4.642  -2.040
  372   2HG2  THR  45          3HG2      THR  45   9.208   5.067  -1.007
  373   3HG2  THR  45          1HG2      THR  45   9.382   3.863  -2.298
  374    QG2  THR  45           QG2      THR  45   8.802   4.524  -1.782
  375    HA   PRO  46           HA       PRO  46   3.776   5.628   0.019
  376   1HB   PRO  46          2HB       PRO  46   4.271   8.285  -0.536
  377   2HB   PRO  46          3HB       PRO  46   4.139   7.614   1.114
  378   1HG   PRO  46          2HG       PRO  46   6.633   8.260  -0.452
  379   2HG   PRO  46          3HG       PRO  46   6.306   8.535   1.284
  380   1HD   PRO  46          2HD       PRO  46   7.769   6.415   0.291
  381   2HD   PRO  46          3HD       PRO  46   6.844   6.316   1.818
  382    QB   PRO  46           QB       PRO  46   4.205   7.949   0.289
  383    QG   PRO  46           QG       PRO  46   6.470   8.398   0.416
  384    QD   PRO  46           QD       PRO  46   7.306   6.365   1.054
  385    H    LYS  47           HN       LYS  47   2.607   5.990  -1.931
  386    HA   LYS  47           HA       LYS  47   4.031   5.533  -4.380
  387   1HB   LYS  47          2HB       LYS  47   1.846   4.596  -3.932
  388   2HB   LYS  47          3HB       LYS  47   1.100   6.197  -3.875
  389   1HG   LYS  47          2HG       LYS  47   1.541   6.583  -6.239
  390   2HG   LYS  47          3HG       LYS  47   2.667   5.236  -6.295
  391   1HD   LYS  47          2HD       LYS  47   0.919   4.210  -7.274
  392   2HD   LYS  47          3HD       LYS  47   0.618   3.742  -5.612
  393   1HE   LYS  47          2HE       LYS  47  -1.464   4.622  -5.788
  394   2HE   LYS  47          3HE       LYS  47  -0.744   6.231  -5.894
  395   1HZ   LYS  47          1HZ       LYS  47  -0.647   5.747  -8.350
  396   2HZ   LYS  47          2HZ       LYS  47  -1.537   4.373  -8.025
  397   3HZ   LYS  47          3HZ       LYS  47  -2.166   5.838  -7.668
  398    QB   LYS  47           QB       LYS  47   1.473   5.397  -3.903
  399    QG   LYS  47           QG       LYS  47   2.104   5.910  -6.267
  400    QD   LYS  47           QD       LYS  47   0.768   3.976  -6.443
  401    QE   LYS  47           QE       LYS  47  -1.104   5.427  -5.841
  402    QZ   LYS  47           QZ       LYS  47  -1.450   5.319  -8.015
  403    HA   PRO  48           HA       PRO  48   4.456  10.029  -5.054
  404   1HB   PRO  48          2HB       PRO  48   6.204   9.943  -7.180
  405   2HB   PRO  48          3HB       PRO  48   6.696   9.826  -5.469
  406   1HG   PRO  48          2HG       PRO  48   6.512   7.641  -7.502
  407   2HG   PRO  48          3HG       PRO  48   7.595   7.793  -6.091
  408   1HD   PRO  48          2HD       PRO  48   5.202   6.267  -6.271
  409   2HD   PRO  48          3HD       PRO  48   6.131   6.629  -4.793
  410    QB   PRO  48           QB       PRO  48   6.450   9.885  -6.324
  411    QG   PRO  48           QG       PRO  48   7.054   7.717  -6.797
  412    QD   PRO  48           QD       PRO  48   5.666   6.448  -5.532
  413    H    GLN  49           HN       GLN  49   3.547  11.374  -6.638
  414    HA   GLN  49           HA       GLN  49   1.625  10.099  -8.457
  415   1HB   GLN  49          2HB       GLN  49   1.726  12.505  -6.924
  416   2HB   GLN  49          3HB       GLN  49   1.772  13.027  -8.605
  417   1HG   GLN  49          2HG       GLN  49  -0.275  11.016  -7.562
  418   2HG   GLN  49          3HG       GLN  49  -0.512  12.758  -7.445
  419   1HE2  GLN  49          2HE2      GLN  49  -1.451  13.177 -10.818
  420   2HE2  GLN  49          1HE2      GLN  49  -1.355  13.853  -9.207
  421    QB   GLN  49           QB       GLN  49   1.749  12.766  -7.765
  422    QG   GLN  49           QG       GLN  49  -0.394  11.887  -7.504
  423    QE2  GLN  49           QE2      GLN  49  -1.403  13.515 -10.013
  424    H    SER  50           HN       SER  50   1.472  11.055 -10.690
  425    HA   SER  50           HA       SER  50   4.167  11.315 -11.958
  426   1HB   SER  50          2HB       SER  50   3.117  10.495 -13.991
  427   2HB   SER  50          3HB       SER  50   2.850   9.346 -12.671
  428    HG   SER  50           HG       SER  50   0.754  10.652 -12.442
  429    QB   SER  50           QB       SER  50   2.983   9.920 -13.331
  430    H    HIS  51           HN       HIS  51   4.322  12.880 -13.636
  431    HA   HIS  51           HA       HIS  51   4.266  14.898 -14.490
  432   1HB   HIS  51          2HB       HIS  51   2.093  15.755 -15.376
  433   2HB   HIS  51          3HB       HIS  51   2.641  14.174 -15.921
  434    HD1  HIS  51           HD1      HIS  51   1.076  12.114 -15.460
  435    HD2  HIS  51           HD2      HIS  51  -0.150  15.736 -13.701
  436    HE1  HIS  51           HE1      HIS  51  -1.309  11.760 -14.648
  437    QB   HIS  51           QB       HIS  51   2.367  14.964 -15.648
   
  Start of MODEL          11
 Raw file had 437 H/Q atoms
  Start of MODEL   11
    1    H    VAL   1           HN       VAL   1  -9.752  13.317   0.536
    2    HA   VAL   1           HA       VAL   1  -7.995  14.152  -1.707
    3    HB   VAL   1           HB       VAL   1  -7.333  12.614   0.851
    4   1HG1  VAL   1          2HG1      VAL   1  -5.589  13.102  -1.606
    5   2HG1  VAL   1          3HG1      VAL   1  -5.009  12.509  -0.034
    6   3HG1  VAL   1          1HG1      VAL   1  -6.129  11.525  -0.979
    7   1HG2  VAL   1          3HG2      VAL   1  -6.295  15.251  -0.294
    8   2HG2  VAL   1          1HG2      VAL   1  -7.346  15.075   1.129
    9   3HG2  VAL   1          2HG2      VAL   1  -5.694  14.457   1.172
   10    QG1  VAL   1           QG1      VAL   1  -5.576  12.379  -0.873
   11    QG2  VAL   1           QG2      VAL   1  -6.445  14.927   0.669
   12    QQG  VAL   1           QQG      VAL   1  -6.010  13.653  -0.102
   13    H    VAL   2           HN       VAL   2  -8.040  12.744  -3.423
   14    HA   VAL   2           HA       VAL   2  -9.761  10.350  -3.245
   15    HB   VAL   2           HB       VAL   2  -8.423  11.894  -5.503
   16   1HG1  VAL   2          2HG1      VAL   2 -10.115   9.361  -5.668
   17   2HG1  VAL   2          3HG1      VAL   2  -9.737  10.421  -7.045
   18   3HG1  VAL   2          1HG1      VAL   2  -8.432   9.566  -6.212
   19   1HG2  VAL   2          2HG2      VAL   2 -10.700  12.598  -4.202
   20   2HG2  VAL   2          3HG2      VAL   2 -10.488  12.817  -5.949
   21   3HG2  VAL   2          1HG2      VAL   2 -11.390  11.416  -5.330
   22    QG1  VAL   2           QG1      VAL   2  -9.428   9.783  -6.309
   23    QG2  VAL   2           QG2      VAL   2 -10.859  12.277  -5.160
   24    QQG  VAL   2           QQG      VAL   2 -10.143  11.030  -5.734
   25    OH   TYR   3           OH       TYR   3  -4.216   8.484   2.255
   26    H    TYR   3           HN       TYR   3  -8.946   8.262  -3.675
   27    HA   TYR   3           HA       TYR   3  -5.984   7.909  -3.618
   28   1HB   TYR   3          2HB       TYR   3  -8.192   6.579  -2.024
   29   2HB   TYR   3          3HB       TYR   3  -6.727   5.694  -2.417
   30    HD1  TYR   3           HD2      TYR   3  -4.435   6.835  -1.983
   31    HD2  TYR   3           HD1      TYR   3  -8.127   7.767   0.055
   32    HE1  TYR   3           HE2      TYR   3  -3.151   7.720  -0.079
   33    HE2  TYR   3           HE1      TYR   3  -6.829   8.578   2.005
   34    HH   TYR   3           HH       TYR   3  -3.249   8.531   2.155
   35    QB   TYR   3           QB       TYR   3  -7.460   6.137  -2.220
   36    QR   TYR   3           QR       TYR   3  -5.635   7.725   0.000
   37    H    THR   4           HN       THR   4  -5.368   5.665  -4.411
   38    HA   THR   4           HA       THR   4  -7.005   4.610  -6.587
   39    HB   THR   4           HB       THR   4  -5.168   5.004  -8.240
   40    HG1  THR   4          1HG       THR   4  -4.155   6.699  -6.201
   41   1HG2  THR   4          3HG2      THR   4  -7.110   6.606  -8.128
   42   2HG2  THR   4          1HG2      THR   4  -6.119   7.674  -7.110
   43   3HG2  THR   4          2HG2      THR   4  -5.609   7.311  -8.763
   44    QG2  THR   4           QG2      THR   4  -6.279   7.197  -8.000
   45    H    ASP   5           HN       ASP   5  -5.632   2.695  -7.624
   46    HA   ASP   5           HA       ASP   5  -4.853   1.102  -5.371
   47   1HB   ASP   5          2HB       ASP   5  -4.972   0.566  -8.369
   48   2HB   ASP   5          3HB       ASP   5  -4.463  -0.644  -7.196
   49    QB   ASP   5           QB       ASP   5  -4.718  -0.039  -7.782
   50    H    CYS   6           HN       CYS   6  -2.888  -0.348  -5.450
   51    HA   CYS   6           HA       CYS   6  -0.551   1.435  -5.826
   52   1HB   CYS   6          2HB       CYS   6  -0.697  -1.316  -4.567
   53   2HB   CYS   6          3HB       CYS   6   0.795  -0.415  -4.871
   54    QB   CYS   6           QB       CYS   6   0.049  -0.865  -4.719
   55    H    THR   7           HN       THR   7   1.476   0.263  -6.710
   56    HA   THR   7           HA       THR   7   0.789  -0.977  -9.336
   57    HB   THR   7           HB       THR   7   2.434   0.786 -10.314
   58    HG1  THR   7          1HG       THR   7   1.626   1.948  -7.854
   59   1HG2  THR   7          1HG2      THR   7   0.022   0.623 -10.862
   60   2HG2  THR   7          2HG2      THR   7  -0.387   1.598  -9.444
   61   3HG2  THR   7          3HG2      THR   7   0.567   2.307 -10.774
   62    QG2  THR   7           QG2      THR   7   0.067   1.509 -10.360
   63    H    GLU   8           HN       GLU   8   3.376  -0.147  -6.968
   64    HA   GLU   8           HA       GLU   8   4.848  -2.568  -7.900
   65   1HB   GLU   8          2HB       GLU   8   6.768  -1.329  -6.699
   66   2HB   GLU   8          3HB       GLU   8   6.283  -0.717  -8.295
   67   1HG   GLU   8          2HG       GLU   8   5.200   1.167  -7.395
   68   2HG   GLU   8          3HG       GLU   8   5.122   0.439  -5.781
   69    QB   GLU   8           QB       GLU   8   6.525  -1.023  -7.497
   70    QG   GLU   8           QG       GLU   8   5.161   0.803  -6.588
   71    H    SER   9           HN       SER   9   5.517  -4.020  -6.320
   72    HA   SER   9           HA       SER   9   4.014  -4.090  -3.866
   73   1HB   SER   9          2HB       SER   9   6.194  -5.777  -5.109
   74   2HB   SER   9          3HB       SER   9   5.710  -6.034  -3.431
   75    HG   SER   9           HG       SER   9   4.412  -7.283  -5.002
   76    QB   SER   9           QB       SER   9   5.952  -5.906  -4.270
   77    H    GLY  10           HN       GLY  10   4.607  -3.551  -1.821
   78   1HA   GLY  10          1HA       GLY  10   6.228  -3.315  -0.084
   79   2HA   GLY  10          2HA       GLY  10   7.468  -2.885  -1.258
   80    QA   GLY  10           QA       GLY  10   6.848  -3.100  -0.671
   81    H    GLN  11           HN       GLN  11   4.749  -1.273  -2.276
   82    HA   GLN  11           HA       GLN  11   5.714   1.242  -1.122
   83   1HB   GLN  11          2HB       GLN  11   5.226   0.516  -3.645
   84   2HB   GLN  11          3HB       GLN  11   3.551   0.920  -3.236
   85   1HG   GLN  11          2HG       GLN  11   4.333   3.245  -2.690
   86   2HG   GLN  11          3HG       GLN  11   6.008   2.736  -3.044
   87   1HE2  GLN  11          2HE2      GLN  11   3.469   2.854  -6.283
   88   2HE2  GLN  11          1HE2      GLN  11   2.870   2.191  -4.753
   89    QB   GLN  11           QB       GLN  11   4.389   0.718  -3.440
   90    QG   GLN  11           QG       GLN  11   5.171   2.991  -2.867
   91    QE2  GLN  11           QE2      GLN  11   3.169   2.523  -5.518
   92    H    ASN  12           HN       ASN  12   3.777   2.910  -0.686
   93    HA   ASN  12           HA       ASN  12   1.259   1.597   0.131
   94   1HB   ASN  12          2HB       ASN  12   1.399   2.359   2.472
   95   2HB   ASN  12          3HB       ASN  12   2.693   1.272   2.060
   96   1HD2  ASN  12          2HD2      ASN  12   4.995   3.467   3.437
   97   2HD2  ASN  12          1HD2      ASN  12   4.200   1.891   3.540
   98    QB   ASN  12           QB       ASN  12   2.046   1.816   2.266
   99    QD2  ASN  12           QD2      ASN  12   4.598   2.679   3.489
  100    H    LEU  13           HN       LEU  13   0.021   3.567   1.435
  101    HA   LEU  13           HA       LEU  13  -1.171   5.412   1.188
  102   1HB   LEU  13          2HB       LEU  13   1.488   6.273   0.632
  103   2HB   LEU  13          3HB       LEU  13   0.494   6.999  -0.625
  104    HG   LEU  13           HG       LEU  13  -1.025   7.873   1.201
  105   1HD1  LEU  13          1HD1      LEU  13   1.171   6.680   2.970
  106   2HD1  LEU  13          2HD1      LEU  13   0.046   7.937   3.531
  107   3HD1  LEU  13          3HD1      LEU  13  -0.569   6.344   3.072
  108   1HD2  LEU  13          1HD2      LEU  13   1.253   8.943   0.201
  109   2HD2  LEU  13          2HD2      LEU  13   0.284   9.753   1.446
  110   3HD2  LEU  13          3HD2      LEU  13   1.735   8.832   1.905
  111    QB   LEU  13           QB       LEU  13   0.991   6.636   0.004
  112    QD1  LEU  13           QD1      LEU  13   0.216   6.987   3.191
  113    QD2  LEU  13           QD2      LEU  13   1.091   9.176   1.184
  114    QQD  LEU  13           QQD      LEU  13   0.654   8.081   2.187
  115    H    CYS  14           HN       CYS  14  -1.696   3.290  -0.367
  116    HA   CYS  14           HA       CYS  14  -3.400   4.373  -2.415
  117   1HB   CYS  14          2HB       CYS  14  -2.492   2.552  -4.059
  118   2HB   CYS  14          3HB       CYS  14  -1.767   4.139  -3.883
  119    QB   CYS  14           QB       CYS  14  -2.130   3.346  -3.971
  120    H    LEU  15           HN       LEU  15  -4.909   2.816  -3.159
  121    HA   LEU  15           HA       LEU  15  -6.103   1.323  -0.972
  122   1HB   LEU  15          2HB       LEU  15  -6.832   1.392  -3.929
  123   2HB   LEU  15          3HB       LEU  15  -7.863   0.866  -2.576
  124    HG   LEU  15           HG       LEU  15  -6.843   3.679  -3.094
  125   1HD1  LEU  15          1HD1      LEU  15  -8.709   3.017  -4.533
  126   2HD1  LEU  15          2HD1      LEU  15  -9.673   2.589  -3.095
  127   3HD1  LEU  15          3HD1      LEU  15  -9.181   4.276  -3.374
  128   1HD2  LEU  15          3HD2      LEU  15  -8.201   2.393  -0.735
  129   2HD2  LEU  15          1HD2      LEU  15  -6.890   3.579  -0.742
  130   3HD2  LEU  15          2HD2      LEU  15  -8.551   4.097  -1.080
  131    QB   LEU  15           QB       LEU  15  -7.348   1.129  -3.252
  132    QD1  LEU  15           QD1      LEU  15  -9.188   3.294  -3.667
  133    QD2  LEU  15           QD2      LEU  15  -7.880   3.356  -0.852
  134    QQD  LEU  15           QQD      LEU  15  -8.534   3.325  -2.260
  135    H    CYS  16           HN       CYS  16  -5.825  -0.744  -0.420
  136    HA   CYS  16           HA       CYS  16  -4.062  -2.351  -2.301
  137   1HB   CYS  16          2HB       CYS  16  -2.945  -1.506  -0.245
  138   2HB   CYS  16          3HB       CYS  16  -4.093  -2.437   0.733
  139    QB   CYS  16           QB       CYS  16  -3.519  -1.971   0.244
  140    H    GLU  17           HN       GLU  17  -6.199  -2.691   0.490
  141    HA   GLU  17           HA       GLU  17  -7.412  -5.107  -0.766
  142   1HB   GLU  17          2HB       GLU  17  -6.347  -4.648   1.936
  143   2HB   GLU  17          3HB       GLU  17  -8.057  -5.109   1.984
  144   1HG   GLU  17          2HG       GLU  17  -5.964  -6.617   0.345
  145   2HG   GLU  17          3HG       GLU  17  -6.432  -7.050   1.996
  146    QB   GLU  17           QB       GLU  17  -7.202  -4.878   1.960
  147    QG   GLU  17           QG       GLU  17  -6.198  -6.833   1.171
  148    H    ASP  18           HN       GLY  18  -9.093  -4.337  -1.827
  149   1HA   ASP  18          1HA       GLY  18 -11.077  -3.251  -2.280
  150   2HA   ASP  18          2HA       GLY  18 -11.368  -3.242  -0.531
  151    QA   ASP  18           QA       GLY  18 -11.222  -3.246  -1.406
  152    H    SER  19           HN       SER  19 -12.006  -1.168  -0.159
  153    HA   SER  19           HA       SER  19 -10.689   1.144  -1.414
  154   1HB   SER  19          2HB       SER  19 -13.167   0.561   0.177
  155   2HB   SER  19          3HB       SER  19 -12.422   2.104   0.487
  156    HG   SER  19           HG       SER  19 -12.498   2.476  -1.818
  157    QB   SER  19           QB       SER  19 -12.794   1.332   0.332
  158    H    ASN  20           HN       ASN  20  -9.912  -0.770   1.209
  159    HA   ASN  20           HA       ASN  20  -9.202   1.330   3.085
  160   1HB   ASN  20          2HB       ASN  20  -8.089  -1.468   3.078
  161   2HB   ASN  20          3HB       ASN  20  -8.221  -0.341   4.422
  162   1HD2  ASN  20          2HD2      ASN  20 -11.443  -2.659   3.365
  163   2HD2  ASN  20          1HD2      ASN  20  -9.964  -2.644   2.409
  164    QB   ASN  20           QB       ASN  20  -8.155  -0.904   3.750
  165    QD2  ASN  20           QD2      ASN  20 -10.703  -2.652   2.887
  166    H    VAL  21           HN       VAL  21  -7.553   2.660   2.781
  167    HA   VAL  21           HA       VAL  21  -5.458   2.157   0.832
  168    HB   VAL  21           HB       VAL  21  -6.450   4.428   1.356
  169   1HG1  VAL  21          2HG1      VAL  21  -6.255   4.334   3.856
  170   2HG1  VAL  21          3HG1      VAL  21  -4.484   4.463   3.674
  171   3HG1  VAL  21          1HG1      VAL  21  -5.538   5.765   3.089
  172   1HG2  VAL  21          3HG2      VAL  21  -3.475   3.846   1.178
  173   2HG2  VAL  21          1HG2      VAL  21  -4.615   4.398  -0.072
  174   3HG2  VAL  21          2HG2      VAL  21  -4.085   5.491   1.216
  175    QG1  VAL  21           QG1      VAL  21  -5.426   4.854   3.540
  176    QG2  VAL  21           QG2      VAL  21  -4.059   4.578   0.774
  177    QQG  VAL  21           QQG      VAL  21  -4.742   4.716   2.157
  178    H    CYS  22           HN       CYS  22  -3.377   1.477   1.165
  179    HA   CYS  22           HA       CYS  22  -2.722   0.363   3.811
  180   1HB   CYS  22          2HB       CYS  22  -2.086  -0.660   1.587
  181   2HB   CYS  22          3HB       CYS  22  -0.872   0.606   1.415
  182    QB   CYS  22           QB       CYS  22  -1.479  -0.027   1.501
  183    H    GLY  23           HN       GLY  23  -2.649   2.050   5.246
  184   1HA   GLY  23          1HA       GLY  23  -1.509   4.622   4.842
  185   2HA   GLY  23          2HA       GLY  23  -1.818   3.815   6.386
  186    QA   GLY  23           QA       GLY  23  -1.664   4.219   5.614
  187    H    GLN  24           HN       GLN  24   0.438   5.533   5.992
  188    HA   GLN  24           HA       GLN  24   2.771   4.127   5.471
  189   1HB   GLN  24          2HB       GLN  24   2.113   6.740   6.374
  190   2HB   GLN  24          3HB       GLN  24   3.080   6.063   7.673
  191   1HG   GLN  24          2HG       GLN  24   4.591   5.331   5.449
  192   2HG   GLN  24          3HG       GLN  24   3.834   6.824   4.895
  193   1HE2  GLN  24          2HE2      GLN  24   6.638   6.847   7.921
  194   2HE2  GLN  24          1HE2      GLN  24   5.893   5.342   7.431
  195    QB   GLN  24           QB       GLN  24   2.597   6.401   7.024
  196    QG   GLN  24           QG       GLN  24   4.212   6.077   5.172
  197    QE2  GLN  24           QE2      GLN  24   6.266   6.094   7.676
  198    H    GLY  25           HN       GLY  25   4.419   3.254   6.951
  199   1HA   GLY  25          1HA       GLY  25   5.125   2.123   8.908
  200   2HA   GLY  25          2HA       GLY  25   3.510   2.262   9.604
  201    QA   GLY  25           QA       GLY  25   4.317   2.192   9.256
  202    H    ASN  26           HN       ASN  26   3.034   1.416   6.438
  203    HA   ASN  26           HA       ASN  26   3.112  -1.506   6.802
  204   1HB   ASN  26          2HB       ASN  26   0.859   0.078   5.492
  205   2HB   ASN  26          3HB       ASN  26   0.869  -1.621   5.934
  206   1HD2  ASN  26          2HD2      ASN  26  -1.025  -0.896   8.764
  207   2HD2  ASN  26          1HD2      ASN  26  -0.762  -1.909   7.351
  208    QB   ASN  26           QB       ASN  26   0.864  -0.771   5.713
  209    QD2  ASN  26           QD2      ASN  26  -0.893  -1.403   8.058
  210    H    LYS  27           HN       LYS  27   2.652  -2.516   4.562
  211    HA   LYS  27           HA       LYS  27   3.369  -0.837   2.254
  212   1HB   LYS  27          2HB       LYS  27   4.595  -3.566   2.555
  213   2HB   LYS  27          3HB       LYS  27   5.037  -2.224   1.520
  214   1HG   LYS  27          2HG       LYS  27   5.785  -0.989   3.575
  215   2HG   LYS  27          3HG       LYS  27   5.421  -2.444   4.511
  216   1HD   LYS  27          2HD       LYS  27   7.315  -2.535   2.159
  217   2HD   LYS  27          3HD       LYS  27   7.893  -2.049   3.755
  218   1HE   LYS  27          2HE       LYS  27   6.346  -4.676   3.311
  219   2HE   LYS  27          3HE       LYS  27   8.118  -4.550   3.207
  220   1HZ   LYS  27          2HZ       LYS  27   8.037  -3.674   5.463
  221   2HZ   LYS  27          3HZ       LYS  27   6.438  -4.106   5.591
  222   3HZ   LYS  27          1HZ       LYS  27   7.580  -5.246   5.326
  223    QB   LYS  27           QB       LYS  27   4.816  -2.895   2.037
  224    QG   LYS  27           QG       LYS  27   5.603  -1.717   4.043
  225    QD   LYS  27           QD       LYS  27   7.604  -2.292   2.957
  226    QE   LYS  27           QE       LYS  27   7.232  -4.613   3.259
  227    QZ   LYS  27           QZ       LYS  27   7.351  -4.342   5.460
  228    H    CYS  28           HN       CYS  28   2.408  -1.609   0.353
  229    HA   CYS  28           HA       CYS  28   0.404  -3.773   0.582
  230   1HB   CYS  28          2HB       CYS  28  -0.329  -1.523  -0.224
  231   2HB   CYS  28          3HB       CYS  28   0.803  -1.724  -1.569
  232    QB   CYS  28           QB       CYS  28   0.237  -1.624  -0.896
  233    H    ILE  29           HN       ILE  29   0.916  -5.737  -0.340
  234    HA   ILE  29           HA       ILE  29   3.181  -5.818  -2.310
  235    HB   ILE  29           HB       ILE  29   1.846  -8.205  -1.079
  236   1HG1  ILE  29          2HG1      ILE  29   2.554  -6.913   0.874
  237   2HG1  ILE  29          3HG1      ILE  29   3.603  -8.302   0.652
  238   1HG2  ILE  29          3HG2      ILE  29   3.259  -8.621  -3.003
  239   2HG2  ILE  29          1HG2      ILE  29   4.619  -7.786  -2.229
  240   3HG2  ILE  29          2HG2      ILE  29   3.990  -9.289  -1.535
  241   1HD1  ILE  29          1HD1      ILE  29   4.324  -5.464  -0.229
  242   2HD1  ILE  29          2HD1      ILE  29   4.819  -6.224   1.286
  243   3HD1  ILE  29          3HD1      ILE  29   5.386  -6.890  -0.252
  244    QG1  ILE  29           QG1      ILE  29   3.079  -7.608   0.763
  245    QG2  ILE  29           QG2      ILE  29   3.956  -8.565  -2.255
  246    QD1  ILE  29           QD1      ILE  29   4.843  -6.193   0.269
  247    H    LEU  30           HN       LEU  30   2.527  -5.823  -4.413
  248    HA   LEU  30           HA       LEU  30  -0.287  -6.208  -5.120
  249   1HB   LEU  30          2HB       LEU  30   2.184  -5.322  -6.587
  250   2HB   LEU  30          3HB       LEU  30   1.086  -6.362  -7.489
  251    HG   LEU  30           HG       LEU  30  -0.828  -4.793  -6.693
  252   1HD1  LEU  30          1HD1      LEU  30   0.618  -3.517  -5.052
  253   2HD1  LEU  30          2HD1      LEU  30   1.566  -2.914  -6.434
  254   3HD1  LEU  30          3HD1      LEU  30  -0.162  -2.528  -6.301
  255   1HD2  LEU  30          1HD2      LEU  30   1.218  -3.937  -8.751
  256   2HD2  LEU  30          2HD2      LEU  30  -0.181  -5.001  -9.001
  257   3HD2  LEU  30          3HD2      LEU  30  -0.435  -3.293  -8.610
  258    QB   LEU  30           QB       LEU  30   1.635  -5.842  -7.038
  259    QD1  LEU  30           QD1      LEU  30   0.674  -2.986  -5.929
  260    QD2  LEU  30           QD2      LEU  30   0.200  -4.077  -8.787
  261    QQD  LEU  30           QQD      LEU  30   0.437  -3.532  -7.358
  262    H    GLY  31           HN       GLY  31  -1.116  -7.868  -6.256
  263   1HA   GLY  31          1HA       GLY  31  -0.348 -10.426  -5.447
  264   2HA   GLY  31          2HA       GLY  31  -1.439 -10.004  -6.807
  265    QA   GLY  31           QA       GLY  31  -0.893 -10.215  -6.127
  266    H    SER  32           HN       SER  32   0.858 -12.007  -6.403
  267    HA   SER  32           HA       SER  32   2.616 -11.180  -8.686
  268   1HB   SER  32          2HB       SER  32   3.450 -11.860  -6.227
  269   2HB   SER  32          3HB       SER  32   3.380 -13.484  -6.921
  270    HG   SER  32           HG       SER  32   5.244 -12.890  -7.779
  271    QB   SER  32           QB       SER  32   3.415 -12.672  -6.574
  272    H    ASN  33           HN       ASP  33   0.625 -11.683  -9.904
  273    HA   ASN  33           HA       ASP  33  -0.812 -13.018 -11.057
  274   1HB   ASN  33          2HB       ASP  33   0.314 -14.442 -12.683
  275   2HB   ASN  33          3HB       ASP  33   1.121 -12.887 -12.469
  276    QB   ASN  33           QB       ASP  33   0.718 -13.665 -12.576
  277    H    GLY  34           HN       GLY  34  -0.897 -13.831  -8.298
  278   1HA   GLY  34          1HA       GLY  34  -2.243 -16.346  -8.553
  279   2HA   GLY  34          2HA       GLY  34  -0.634 -16.561  -7.815
  280    QA   GLY  34           QA       GLY  34  -1.438 -16.453  -8.184
  281    H    GLU  35           HN       GLU  35  -0.184 -14.763  -5.946
  282    HA   GLU  35           HA       GLU  35  -2.354 -14.572  -4.064
  283   1HB   GLU  35          2HB       GLU  35   0.295 -13.001  -4.314
  284   2HB   GLU  35          3HB       GLU  35  -0.814 -12.941  -2.944
  285   1HG   GLU  35          2HG       GLU  35   0.740 -14.521  -2.241
  286   2HG   GLU  35          3HG       GLU  35  -0.559 -15.539  -2.862
  287    QB   GLU  35           QB       GLU  35  -0.259 -12.971  -3.629
  288    QG   GLU  35           QG       GLU  35   0.091 -15.030  -2.552
  289    H    LYS  36           HN       LYS  36  -3.315 -12.699  -3.374
  290    HA   LYS  36           HA       LYS  36  -4.097 -10.695  -5.434
  291   1HB   LYS  36          2HB       LYS  36  -5.298 -11.405  -2.721
  292   2HB   LYS  36          3HB       LYS  36  -5.964 -10.270  -3.906
  293   1HG   LYS  36          2HG       LYS  36  -5.783 -12.549  -5.430
  294   2HG   LYS  36          3HG       LYS  36  -6.069 -13.270  -3.848
  295   1HD   LYS  36          2HD       LYS  36  -7.758 -11.110  -5.197
  296   2HD   LYS  36          3HD       LYS  36  -8.163 -12.831  -5.154
  297   1HE   LYS  36          2HE       LYS  36  -8.599 -12.819  -2.802
  298   2HE   LYS  36          3HE       LYS  36  -7.816 -11.246  -2.563
  299   1HZ   LYS  36          3HZ       LYS  36 -10.331 -11.656  -4.036
  300   2HZ   LYS  36          1HZ       LYS  36 -10.179 -11.050  -2.513
  301   3HZ   LYS  36          2HZ       LYS  36  -9.574 -10.211  -3.780
  302    QB   LYS  36           QB       LYS  36  -5.631 -10.837  -3.313
  303    QG   LYS  36           QG       LYS  36  -5.926 -12.910  -4.639
  304    QD   LYS  36           QD       LYS  36  -7.960 -11.971  -5.175
  305    QE   LYS  36           QE       LYS  36  -8.208 -12.032  -2.683
  306    QZ   LYS  36           QZ       LYS  36 -10.028 -10.972  -3.443
  307    H    ASN  37           HN       ASN  37  -4.600  -8.487  -4.298
  308    HA   ASN  37           HA       ASN  37  -2.168  -7.404  -3.330
  309   1HB   ASN  37          2HB       ASN  37  -5.021  -6.441  -3.580
  310   2HB   ASN  37          3HB       ASN  37  -3.966  -5.610  -2.436
  311   1HD2  ASN  37          2HD2      ASN  37  -1.693  -4.290  -4.841
  312   2HD2  ASN  37          1HD2      ASN  37  -1.644  -5.171  -3.322
  313    QB   ASN  37           QB       ASN  37  -4.494  -6.026  -3.008
  314    QD2  ASN  37           QD2      ASN  37  -1.668  -4.731  -4.082
  315    H    GLN  38           HN       GLN  38  -1.374  -7.038  -1.246
  316    HA   GLN  38           HA       GLN  38  -3.216  -7.479   1.058
  317   1HB   GLN  38          2HB       GLN  38  -1.488  -8.822   2.197
  318   2HB   GLN  38          3HB       GLN  38  -2.182  -9.615   0.769
  319   1HG   GLN  38          2HG       GLN  38  -0.286  -9.324  -0.561
  320   2HG   GLN  38          3HG       GLN  38   0.449  -8.179   0.577
  321   1HE2  GLN  38          2HE2      GLN  38   2.248 -11.345   1.055
  322   2HE2  GLN  38          1HE2      GLN  38   1.977 -10.277  -0.312
  323    QB   GLN  38           QB       GLN  38  -1.835  -9.218   1.483
  324    QG   GLN  38           QG       GLN  38   0.082  -8.751   0.008
  325    QE2  GLN  38           QE2      GLN  38   2.113 -10.811   0.371
  326    H    CYS  39           HN       CYS  39  -2.900  -5.973   2.679
  327    HA   CYS  39           HA       CYS  39  -0.550  -4.161   2.393
  328   1HB   CYS  39          2HB       CYS  39  -2.671  -3.007   2.451
  329   2HB   CYS  39          3HB       CYS  39  -3.126  -3.865   3.927
  330    QB   CYS  39           QB       CYS  39  -2.898  -3.436   3.189
  331    H    VAL  40           HN       VAL  40   1.124  -5.217   3.377
  332    HA   VAL  40           HA       VAL  40   0.690  -6.589   5.987
  333    HB   VAL  40           HB       VAL  40   2.774  -7.636   5.696
  334   1HG1  VAL  40          3HG1      VAL  40   0.875  -8.493   4.325
  335   2HG1  VAL  40          1HG1      VAL  40   1.508  -7.591   2.926
  336   3HG1  VAL  40          2HG1      VAL  40   2.473  -8.888   3.661
  337   1HG2  VAL  40          1HG2      VAL  40   3.371  -5.542   3.591
  338   2HG2  VAL  40          2HG2      VAL  40   4.355  -6.106   4.954
  339   3HG2  VAL  40          3HG2      VAL  40   4.159  -7.132   3.531
  340    QG1  VAL  40           QG1      VAL  40   1.619  -8.324   3.637
  341    QG2  VAL  40           QG2      VAL  40   3.962  -6.260   4.025
  342    QQG  VAL  40           QQG      VAL  40   2.790  -7.292   3.831
  343    H    THR  41           HN       THR  41   2.469  -6.110   7.676
  344    HA   THR  41           HA       THR  41   2.532  -3.209   7.961
  345    HB   THR  41           HB       THR  41   1.873  -4.571   9.808
  346    HG1  THR  41          1HG       THR  41   2.757  -2.559  10.252
  347   1HG2  THR  41          1HG2      THR  41   3.339  -6.542   9.526
  348   2HG2  THR  41          2HG2      THR  41   4.761  -5.534   9.893
  349   3HG2  THR  41          3HG2      THR  41   3.517  -5.811  11.128
  350    QG2  THR  41           QG2      THR  41   3.872  -5.962  10.182
  351    H    GLY  42           HN       GLY  42   4.710  -2.537   9.194
  352   1HA   GLY  42          1HA       GLY  42   7.089  -2.380   9.162
  353   2HA   GLY  42          2HA       GLY  42   7.161  -3.311   7.658
  354    QA   GLY  42           QA       GLY  42   7.125  -2.846   8.410
  355    H    GLU  43           HN       GLU  43   7.961  -0.395   8.583
  356    HA   GLU  43           HA       GLU  43   6.447   1.425   7.077
  357   1HB   GLU  43          2HB       GLU  43   8.468   2.880   7.312
  358   2HB   GLU  43          3HB       GLU  43   7.943   2.113   8.813
  359   1HG   GLU  43          2HG       GLU  43   9.778   0.315   8.370
  360   2HG   GLU  43          3HG       GLU  43  10.366   1.423   7.130
  361    QB   GLU  43           QB       GLU  43   8.205   2.497   8.062
  362    QG   GLU  43           QG       GLU  43  10.072   0.869   7.750
  363    H    GLY  44           HN       GLY  44   6.497   2.149   4.981
  364   1HA   GLY  44          1HA       GLY  44   8.433   1.043   3.055
  365   2HA   GLY  44          2HA       GLY  44   6.730   0.690   2.775
  366    QA   GLY  44           QA       GLY  44   7.581   0.866   2.915
  367    H    THR  45           HN       THR  45   7.845   1.980   0.845
  368    HA   THR  45           HA       THR  45   7.998   4.852   1.230
  369    HB   THR  45           HB       THR  45   8.346   2.987  -1.154
  370    HG1  THR  45          1HG       THR  45   9.778   3.041   0.820
  371   1HG2  THR  45          1HG2      THR  45   9.168   5.916  -0.959
  372   2HG2  THR  45          2HG2      THR  45   9.570   4.781  -2.257
  373   3HG2  THR  45          3HG2      THR  45   7.885   5.267  -2.019
  374    QG2  THR  45           QG2      THR  45   8.874   5.321  -1.745
  375    HA   PRO  46           HA       PRO  46   3.753   5.497  -0.094
  376   1HB   PRO  46          2HB       PRO  46   3.694   8.188  -0.483
  377   2HB   PRO  46          3HB       PRO  46   3.847   7.450   1.142
  378   1HG   PRO  46          2HG       PRO  46   6.078   8.493  -0.634
  379   2HG   PRO  46          3HG       PRO  46   5.796   8.869   1.093
  380   1HD   PRO  46          2HD       PRO  46   7.558   6.948   0.295
  381   2HD   PRO  46          3HD       PRO  46   6.566   6.720   1.767
  382    QB   PRO  46           QB       PRO  46   3.771   7.819   0.330
  383    QG   PRO  46           QG       PRO  46   5.937   8.681   0.230
  384    QD   PRO  46           QD       PRO  46   7.062   6.834   1.031
  385    H    LYS  47           HN       LYS  47   2.589   5.603  -1.996
  386    HA   LYS  47           HA       LYS  47   3.902   5.288  -4.420
  387   1HB   LYS  47          2HB       LYS  47   1.749   4.392  -4.122
  388   2HB   LYS  47          3HB       LYS  47   1.033   5.972  -3.767
  389   1HG   LYS  47          2HG       LYS  47   1.173   6.697  -5.993
  390   2HG   LYS  47          3HG       LYS  47   2.288   5.401  -6.482
  391   1HD   LYS  47          2HD       LYS  47   0.607   3.743  -6.398
  392   2HD   LYS  47          3HD       LYS  47  -0.475   4.757  -5.448
  393   1HE   LYS  47          2HE       LYS  47  -1.397   5.779  -7.203
  394   2HE   LYS  47          3HE       LYS  47   0.150   6.045  -8.013
  395   1HZ   LYS  47          2HZ       LYS  47  -1.403   3.516  -8.020
  396   2HZ   LYS  47          3HZ       LYS  47  -1.278   4.600  -9.267
  397   3HZ   LYS  47          1HZ       LYS  47   0.056   3.779  -8.793
  398    QB   LYS  47           QB       LYS  47   1.391   5.182  -3.944
  399    QG   LYS  47           QG       LYS  47   1.731   6.049  -6.237
  400    QD   LYS  47           QD       LYS  47   0.066   4.250  -5.923
  401    QE   LYS  47           QE       LYS  47  -0.624   5.912  -7.608
  402    QZ   LYS  47           QZ       LYS  47  -0.875   3.965  -8.693
  403    HA   PRO  48           HA       PRO  48   4.721   9.609  -5.489
  404   1HB   PRO  48          2HB       PRO  48   5.714   9.183  -8.028
  405   2HB   PRO  48          3HB       PRO  48   6.668   8.933  -6.540
  406   1HG   PRO  48          2HG       PRO  48   5.263   6.870  -8.228
  407   2HG   PRO  48          3HG       PRO  48   6.874   6.763  -7.468
  408   1HD   PRO  48          2HD       PRO  48   4.592   5.648  -6.440
  409   2HD   PRO  48          3HD       PRO  48   5.936   6.171  -5.386
  410    QB   PRO  48           QB       PRO  48   6.191   9.058  -7.284
  411    QG   PRO  48           QG       PRO  48   6.069   6.817  -7.848
  412    QD   PRO  48           QD       PRO  48   5.264   5.910  -5.913
  413    H    GLN  49           HN       GLN  49   3.703  11.131  -7.031
  414    HA   GLN  49           HA       GLN  49   1.045  10.664  -7.611
  415   1HB   GLN  49          2HB       GLN  49   1.080  12.732  -8.660
  416   2HB   GLN  49          3HB       GLN  49   2.388  12.857  -7.499
  417   1HG   GLN  49          2HG       GLN  49   4.001  12.302  -9.399
  418   2HG   GLN  49          3HG       GLN  49   2.634  12.378 -10.521
  419   1HE2  GLN  49          2HE2      GLN  49   4.082  15.857  -8.858
  420   2HE2  GLN  49          1HE2      GLN  49   4.460  14.320  -8.104
  421    QB   GLN  49           QB       GLN  49   1.734  12.794  -8.079
  422    QG   GLN  49           QG       GLN  49   3.317  12.340  -9.960
  423    QE2  GLN  49           QE2      GLN  49   4.271  15.088  -8.481
  424    H    SER  50           HN       SER  50  -0.065  10.542  -9.711
  425    HA   SER  50           HA       SER  50   1.396   9.183 -11.880
  426   1HB   SER  50          2HB       SER  50   0.330   7.521 -10.168
  427   2HB   SER  50          3HB       SER  50  -1.231   8.099 -10.787
  428    HG   SER  50           HG       SER  50   0.875   7.010 -12.381
  429    QB   SER  50           QB       SER  50  -0.450   7.810 -10.477
  430    H    HIS  51           HN       HIS  51   0.082   9.268 -13.921
  431    HA   HIS  51           HA       HIS  51  -2.254  10.833 -14.171
  432   1HB   HIS  51          2HB       HIS  51  -1.076  12.647 -15.504
  433   2HB   HIS  51          3HB       HIS  51  -0.905  12.772 -13.751
  434    HD1  HIS  51           HD1      HIS  51   1.524  12.860 -12.828
  435    HD2  HIS  51           HD2      HIS  51   1.218  11.640 -16.846
  436    HE1  HIS  51           HE1      HIS  51   3.911  12.727 -13.740
  437    QB   HIS  51           QB       HIS  51  -0.990  12.709 -14.627
   
  Start of MODEL          12
 Raw file had 437 H/Q atoms
  Start of MODEL   12
    1    H    VAL   1           HN       VAL   1  -9.183  13.994  -1.274
    2    HA   VAL   1           HA       VAL   1  -7.383  14.405  -3.116
    3    HB   VAL   1           HB       VAL   1  -5.895  12.981  -0.861
    4   1HG1  VAL   1          2HG1      VAL   1  -5.348  12.166  -3.291
    5   2HG1  VAL   1          3HG1      VAL   1  -4.577  13.755  -3.471
    6   3HG1  VAL   1          1HG1      VAL   1  -4.040  12.631  -2.210
    7   1HG2  VAL   1          2HG2      VAL   1  -5.434  15.688  -2.196
    8   2HG2  VAL   1          3HG2      VAL   1  -5.918  15.415  -0.509
    9   3HG2  VAL   1          1HG2      VAL   1  -4.311  14.923  -1.057
   10    QG1  VAL   1           QG1      VAL   1  -4.655  12.850  -2.990
   11    QG2  VAL   1           QG2      VAL   1  -5.221  15.342  -1.254
   12    QQG  VAL   1           QQG      VAL   1  -4.938  14.096  -2.122
   13    H    VAL   2           HN       VAL   2  -7.479  12.682  -4.641
   14    HA   VAL   2           HA       VAL   2  -9.210  10.426  -3.841
   15    HB   VAL   2           HB       VAL   2  -8.238  11.440  -6.544
   16   1HG1  VAL   2          3HG1      VAL   2  -9.574   8.877  -5.764
   17   2HG1  VAL   2          1HG1      VAL   2 -10.257   9.731  -7.154
   18   3HG1  VAL   2          2HG1      VAL   2  -8.549   9.277  -7.155
   19   1HG2  VAL   2          2HG2      VAL   2 -10.873  11.601  -5.032
   20   2HG2  VAL   2          3HG2      VAL   2  -9.862  12.933  -5.634
   21   3HG2  VAL   2          1HG2      VAL   2 -10.739  11.910  -6.775
   22    QG1  VAL   2           QG1      VAL   2  -9.460   9.295  -6.691
   23    QG2  VAL   2           QG2      VAL   2 -10.491  12.148  -5.814
   24    QQG  VAL   2           QQG      VAL   2  -9.976  10.721  -6.252
   25    OH   TYR   3           OH       TYR   3  -3.327   9.308   1.377
   26    H    TYR   3           HN       TYR   3  -8.438   8.420  -3.551
   27    HA   TYR   3           HA       TYR   3  -5.531   7.892  -3.919
   28   1HB   TYR   3          2HB       TYR   3  -7.702   6.742  -2.135
   29   2HB   TYR   3          3HB       TYR   3  -6.295   5.784  -2.572
   30    HD1  TYR   3           HD2      TYR   3  -3.971   6.586  -2.196
   31    HD2  TYR   3           HD1      TYR   3  -7.426   8.384  -0.337
   32    HE1  TYR   3           HE2      TYR   3  -2.504   7.695  -0.554
   33    HE2  TYR   3           HE1      TYR   3  -5.948   9.427   1.369
   34    HH   TYR   3           HH       TYR   3  -2.394   9.184   1.184
   35    QB   TYR   3           QB       TYR   3  -6.998   6.263  -2.353
   36    QR   TYR   3           QR       TYR   3  -4.962   8.023  -0.430
   37    H    THR   4           HN       THR   4  -5.066   5.590  -4.602
   38    HA   THR   4           HA       THR   4  -6.936   4.402  -6.493
   39    HB   THR   4           HB       THR   4  -5.291   4.477  -8.339
   40    HG1  THR   4          1HG       THR   4  -3.864   6.141  -6.541
   41   1HG2  THR   4          2HG2      THR   4  -7.042   6.300  -8.165
   42   2HG2  THR   4          3HG2      THR   4  -5.809   7.337  -7.412
   43   3HG2  THR   4          1HG2      THR   4  -5.580   6.754  -9.066
   44    QG2  THR   4           QG2      THR   4  -6.144   6.797  -8.214
   45    H    ASP   5           HN       ASP   5  -5.926   2.267  -7.256
   46    HA   ASP   5           HA       ASP   5  -4.878   0.886  -5.136
   47   1HB   ASP   5          2HB       ASP   5  -4.964   0.277  -8.098
   48   2HB   ASP   5          3HB       ASP   5  -4.331  -0.884  -6.927
   49    QB   ASP   5           QB       ASP   5  -4.647  -0.304  -7.512
   50    H    CYS   6           HN       CYS   6  -2.806  -0.386  -5.074
   51    HA   CYS   6           HA       CYS   6  -0.460   1.228  -5.942
   52   1HB   CYS   6          2HB       CYS   6  -0.708  -1.061  -4.032
   53   2HB   CYS   6          3HB       CYS   6   0.756  -0.907  -5.018
   54    QB   CYS   6           QB       CYS   6   0.024  -0.984  -4.525
   55    H    THR   7           HN       THR   7   1.104   0.536  -7.323
   56    HA   THR   7           HA       THR   7   0.344  -1.510  -9.342
   57    HB   THR   7           HB       THR   7   1.729  -0.034 -10.828
   58    HG1  THR   7          1HG       THR   7   2.698   1.625  -9.967
   59   1HG2  THR   7          2HG2      THR   7  -0.685   1.264  -9.470
   60   2HG2  THR   7          3HG2      THR   7   0.050   1.821 -10.984
   61   3HG2  THR   7          1HG2      THR   7  -0.698   0.215 -10.903
   62    QG2  THR   7           QG2      THR   7  -0.444   1.100 -10.453
   63    H    GLU   8           HN       GLU   8   2.974  -0.360  -7.193
   64    HA   GLU   8           HA       GLU   8   4.654  -2.653  -8.094
   65   1HB   GLU   8          2HB       GLU   8   6.578  -1.472  -7.252
   66   2HB   GLU   8          3HB       GLU   8   5.792  -0.479  -8.488
   67   1HG   GLU   8          2HG       GLU   8   5.339   1.187  -7.041
   68   2HG   GLU   8          3HG       GLU   8   4.945   0.075  -5.711
   69    QB   GLU   8           QB       GLU   8   6.185  -0.976  -7.870
   70    QG   GLU   8           QG       GLU   8   5.142   0.631  -6.376
   71    H    SER   9           HN       SER   9   5.713  -3.846  -6.386
   72    HA   SER   9           HA       SER   9   4.130  -4.084  -3.936
   73   1HB   SER   9          2HB       SER   9   6.536  -5.536  -5.101
   74   2HB   SER   9          3HB       SER   9   6.093  -5.750  -3.404
   75    HG   SER   9           HG       SER   9   5.109  -7.280  -4.898
   76    QB   SER   9           QB       SER   9   6.315  -5.643  -4.253
   77    H    GLY  10           HN       GLY  10   4.763  -3.546  -1.878
   78   1HA   GLY  10          1HA       GLY  10   6.375  -3.114  -0.185
   79   2HA   GLY  10          2HA       GLY  10   7.587  -2.713  -1.399
   80    QA   GLY  10           QA       GLY  10   6.981  -2.914  -0.792
   81    H    GLN  11           HN       GLN  11   4.306  -1.410  -1.544
   82    HA   GLN  11           HA       GLN  11   5.407   1.252  -0.890
   83   1HB   GLN  11          2HB       GLN  11   4.566   0.218  -3.413
   84   2HB   GLN  11          3HB       GLN  11   3.177   1.132  -2.795
   85   1HG   GLN  11          2HG       GLN  11   4.427   3.163  -2.687
   86   2HG   GLN  11          3HG       GLN  11   5.928   2.280  -3.104
   87   1HE2  GLN  11          2HE2      GLN  11   3.461   2.171  -6.289
   88   2HE2  GLN  11          1HE2      GLN  11   2.965   1.479  -4.753
   89    QB   GLN  11           QB       GLN  11   3.871   0.675  -3.104
   90    QG   GLN  11           QG       GLN  11   5.177   2.722  -2.895
   91    QE2  GLN  11           QE2      GLN  11   3.213   1.825  -5.521
   92    H    ASN  12           HN       ASN  12   3.953   2.769  -0.066
   93    HA   ASN  12           HA       ASN  12   1.520   1.627   1.253
   94   1HB   ASN  12          2HB       ASN  12   2.008   2.706   3.259
   95   2HB   ASN  12          3HB       ASN  12   3.532   1.964   2.735
   96   1HD2  ASN  12          2HD2      ASN  12   4.541   5.219   3.979
   97   2HD2  ASN  12          1HD2      ASN  12   3.834   3.749   4.646
   98    QB   ASN  12           QB       ASN  12   2.770   2.335   2.997
   99    QD2  ASN  12           QD2      ASN  12   4.188   4.484   4.313
  100    H    LEU  13           HN       LEU  13   0.250   3.683   2.176
  101    HA   LEU  13           HA       LEU  13  -1.233   5.270   1.582
  102   1HB   LEU  13          2HB       LEU  13   1.362   6.457   0.561
  103   2HB   LEU  13          3HB       LEU  13  -0.157   7.319   0.344
  104    HG   LEU  13           HG       LEU  13   1.093   6.565   3.005
  105   1HD1  LEU  13          2HD1      LEU  13   2.000   8.542   1.713
  106   2HD1  LEU  13          3HD1      LEU  13   0.376   9.250   1.741
  107   3HD1  LEU  13          1HD1      LEU  13   1.261   8.988   3.259
  108   1HD2  LEU  13          3HD2      LEU  13  -1.684   7.537   2.291
  109   2HD2  LEU  13          1HD2      LEU  13  -1.191   6.401   3.562
  110   3HD2  LEU  13          2HD2      LEU  13  -0.922   8.135   3.772
  111    QB   LEU  13           QB       LEU  13   0.603   6.888   0.452
  112    QD1  LEU  13           QD1      LEU  13   1.212   8.927   2.238
  113    QD2  LEU  13           QD2      LEU  13  -1.266   7.358   3.208
  114    QQD  LEU  13           QQD      LEU  13  -0.027   8.142   2.723
  115    H    CYS  14           HN       CYS  14  -1.827   3.237   0.177
  116    HA   CYS  14           HA       CYS  14  -2.981   4.331  -2.249
  117   1HB   CYS  14          2HB       CYS  14  -2.000   2.642  -3.751
  118   2HB   CYS  14          3HB       CYS  14  -0.733   3.617  -3.041
  119    QB   CYS  14           QB       CYS  14  -1.367   3.130  -3.396
  120    H    LEU  15           HN       LEU  15  -4.512   2.754  -3.124
  121    HA   LEU  15           HA       LEU  15  -5.873   1.311  -0.941
  122   1HB   LEU  15          2HB       LEU  15  -6.677   1.411  -3.862
  123   2HB   LEU  15          3HB       LEU  15  -7.683   1.030  -2.467
  124    HG   LEU  15           HG       LEU  15  -6.426   3.723  -3.082
  125   1HD1  LEU  15          2HD1      LEU  15  -8.258   3.171  -4.597
  126   2HD1  LEU  15          3HD1      LEU  15  -9.340   2.971  -3.192
  127   3HD1  LEU  15          1HD1      LEU  15  -8.612   4.554  -3.546
  128   1HD2  LEU  15          3HD2      LEU  15  -7.752   2.687  -0.632
  129   2HD2  LEU  15          1HD2      LEU  15  -6.668   4.076  -0.850
  130   3HD2  LEU  15          2HD2      LEU  15  -8.395   4.228  -1.209
  131    QB   LEU  15           QB       LEU  15  -7.180   1.220  -3.165
  132    QD1  LEU  15           QD1      LEU  15  -8.737   3.565  -3.778
  133    QD2  LEU  15           QD2      LEU  15  -7.605   3.664  -0.897
  134    QQD  LEU  15           QQD      LEU  15  -8.171   3.614  -2.338
  135    H    CYS  16           HN       CYS  16  -5.717  -0.768  -0.482
  136    HA   CYS  16           HA       CYS  16  -3.982  -2.464  -2.278
  137   1HB   CYS  16          2HB       CYS  16  -2.839  -1.586  -0.220
  138   2HB   CYS  16          3HB       CYS  16  -4.027  -2.448   0.757
  139    QB   CYS  16           QB       CYS  16  -3.433  -2.017   0.268
  140    H    GLU  17           HN       GLU  17  -6.055  -2.683   0.568
  141    HA   GLU  17           HA       GLU  17  -7.574  -4.965  -0.588
  142   1HB   GLU  17          2HB       GLU  17  -8.375  -5.028   1.912
  143   2HB   GLU  17          3HB       GLU  17  -6.875  -5.818   1.416
  144   1HG   GLU  17          2HG       GLU  17  -5.498  -4.069   2.312
  145   2HG   GLU  17          3HG       GLU  17  -6.892  -3.011   2.583
  146    QB   GLU  17           QB       GLU  17  -7.625  -5.423   1.664
  147    QG   GLU  17           QG       GLU  17  -6.195  -3.540   2.447
  148    H    ASP  18           HN       GLY  18  -9.147  -3.983  -1.782
  149   1HA   ASP  18          1HA       GLY  18 -11.175  -2.942  -2.132
  150   2HA   ASP  18          2HA       GLY  18 -11.320  -2.785  -0.372
  151    QA   ASP  18           QA       GLY  18 -11.247  -2.864  -1.252
  152    H    SER  19           HN       SER  19 -12.069  -0.660  -0.299
  153    HA   SER  19           HA       SER  19 -10.597   1.486  -1.687
  154   1HB   SER  19          2HB       SER  19 -13.171   1.312  -1.347
  155   2HB   SER  19          3HB       SER  19 -12.827   1.875   0.307
  156    HG   SER  19           HG       SER  19 -13.265   3.601  -1.159
  157    QB   SER  19           QB       SER  19 -12.999   1.594  -0.520
  158    H    ASN  20           HN       ASN  20  -9.722  -0.350   0.896
  159    HA   ASN  20           HA       ASN  20  -9.318   1.797   2.858
  160   1HB   ASN  20          2HB       ASN  20  -8.305  -1.039   2.987
  161   2HB   ASN  20          3HB       ASN  20  -8.441   0.131   4.291
  162   1HD2  ASN  20          2HD2      ASN  20 -11.266  -2.272   4.626
  163   2HD2  ASN  20          1HD2      ASN  20  -9.517  -2.449   4.547
  164    QB   ASN  20           QB       ASN  20  -8.373  -0.454   3.639
  165    QD2  ASN  20           QD2      ASN  20 -10.391  -2.361   4.587
  166    H    VAL  21           HN       VAL  21  -7.583   3.059   2.707
  167    HA   VAL  21           HA       VAL  21  -5.408   2.468   0.913
  168    HB   VAL  21           HB       VAL  21  -6.235   4.740   1.308
  169   1HG1  VAL  21          2HG1      VAL  21  -6.627   4.769   3.713
  170   2HG1  VAL  21          3HG1      VAL  21  -4.877   4.623   4.019
  171   3HG1  VAL  21          1HG1      VAL  21  -5.530   6.060   3.209
  172   1HG2  VAL  21          1HG2      VAL  21  -3.298   4.211   1.809
  173   2HG2  VAL  21          2HG2      VAL  21  -4.145   4.514   0.268
  174   3HG2  VAL  21          3HG2      VAL  21  -3.972   5.811   1.452
  175    QG1  VAL  21           QG1      VAL  21  -5.678   5.150   3.647
  176    QG2  VAL  21           QG2      VAL  21  -3.805   4.846   1.176
  177    QQG  VAL  21           QQG      VAL  21  -4.741   4.998   2.412
  178    H    CYS  22           HN       CYS  22  -3.410   1.623   1.350
  179    HA   CYS  22           HA       CYS  22  -2.879   0.319   3.871
  180   1HB   CYS  22          2HB       CYS  22  -2.118  -0.511   1.637
  181   2HB   CYS  22          3HB       CYS  22  -0.937   0.804   1.589
  182    QB   CYS  22           QB       CYS  22  -1.527   0.147   1.613
  183    H    GLY  23           HN       GLY  23  -3.123   2.001   5.259
  184   1HA   GLY  23          1HA       GLY  23  -1.936   4.439   5.537
  185   2HA   GLY  23          2HA       GLY  23  -2.289   3.358   6.892
  186    QA   GLY  23           QA       GLY  23  -2.113   3.899   6.215
  187    H    GLN  24           HN       GLN  24  -0.144   5.246   6.819
  188    HA   GLN  24           HA       GLN  24   2.263   4.182   5.970
  189   1HB   GLN  24          2HB       GLN  24   1.679   6.562   6.634
  190   2HB   GLN  24          3HB       GLN  24   1.962   6.103   8.319
  191   1HG   GLN  24          2HG       GLN  24   4.286   5.799   7.964
  192   2HG   GLN  24          3HG       GLN  24   4.099   5.552   6.229
  193   1HE2  GLN  24          2HE2      GLN  24   3.879   9.029   5.400
  194   2HE2  GLN  24          1HE2      GLN  24   3.254   7.462   4.915
  195    QB   GLN  24           QB       GLN  24   1.821   6.332   7.476
  196    QG   GLN  24           QG       GLN  24   4.192   5.676   7.097
  197    QE2  GLN  24           QE2      GLN  24   3.566   8.246   5.157
  198    H    GLY  25           HN       GLY  25   4.104   3.288   7.200
  199   1HA   GLY  25          1HA       GLY  25   5.036   1.920   8.833
  200   2HA   GLY  25          2HA       GLY  25   3.527   1.920   9.742
  201    QA   GLY  25           QA       GLY  25   4.282   1.920   9.288
  202    H    ASN  26           HN       ASN  26   2.383   1.237   6.773
  203    HA   ASN  26           HA       ASN  26   2.943  -1.676   6.795
  204   1HB   ASN  26          2HB       ASN  26   0.360  -0.306   5.949
  205   2HB   ASN  26          3HB       ASN  26   0.630  -2.036   6.210
  206   1HD2  ASN  26          2HD2      ASN  26  -1.196  -0.285   9.116
  207   2HD2  ASN  26          1HD2      ASN  26  -1.381  -0.046   7.385
  208    QB   ASN  26           QB       ASN  26   0.495  -1.171   6.080
  209    QD2  ASN  26           QD2      ASN  26  -1.289  -0.166   8.251
  210    H    LYS  27           HN       LYS  27   2.747  -2.607   4.511
  211    HA   LYS  27           HA       LYS  27   2.844  -0.623   2.332
  212   1HB   LYS  27          2HB       LYS  27   4.862  -1.442   1.476
  213   2HB   LYS  27          3HB       LYS  27   5.200  -1.170   3.184
  214   1HG   LYS  27          2HG       LYS  27   4.318  -3.758   3.170
  215   2HG   LYS  27          3HG       LYS  27   5.061  -3.639   1.564
  216   1HD   LYS  27          2HD       LYS  27   7.191  -3.650   2.441
  217   2HD   LYS  27          3HD       LYS  27   6.714  -2.781   3.915
  218   1HE   LYS  27          2HE       LYS  27   5.801  -4.662   4.965
  219   2HE   LYS  27          3HE       LYS  27   5.659  -5.602   3.490
  220   1HZ   LYS  27          1HZ       LYS  27   8.332  -4.934   4.355
  221   2HZ   LYS  27          2HZ       LYS  27   7.484  -6.102   5.151
  222   3HZ   LYS  27          3HZ       LYS  27   7.754  -6.247   3.539
  223    QB   LYS  27           QB       LYS  27   5.031  -1.306   2.330
  224    QG   LYS  27           QG       LYS  27   4.689  -3.699   2.367
  225    QD   LYS  27           QD       LYS  27   6.953  -3.216   3.178
  226    QE   LYS  27           QE       LYS  27   5.730  -5.132   4.227
  227    QZ   LYS  27           QZ       LYS  27   7.857  -5.761   4.348
  228    H    CYS  28           HN       CYS  28   2.200  -1.535   0.306
  229    HA   CYS  28           HA       CYS  28   0.472  -3.917   0.523
  230   1HB   CYS  28          2HB       CYS  28  -0.464  -1.751  -0.302
  231   2HB   CYS  28          3HB       CYS  28   0.645  -1.864  -1.675
  232    QB   CYS  28           QB       CYS  28   0.090  -1.808  -0.989
  233    H    ILE  29           HN       ILE  29   1.249  -5.846  -0.221
  234    HA   ILE  29           HA       ILE  29   3.488  -5.761  -2.228
  235    HB   ILE  29           HB       ILE  29   2.347  -7.880  -0.442
  236   1HG1  ILE  29          2HG1      ILE  29   4.516  -8.048   0.446
  237   2HG1  ILE  29          3HG1      ILE  29   5.169  -6.894  -0.753
  238   1HG2  ILE  29          3HG2      ILE  29   4.055  -8.217  -2.894
  239   2HG2  ILE  29          1HG2      ILE  29   4.283  -9.288  -1.503
  240   3HG2  ILE  29          2HG2      ILE  29   2.705  -9.215  -2.294
  241   1HD1  ILE  29          1HD1      ILE  29   3.098  -6.177   1.360
  242   2HD1  ILE  29          2HD1      ILE  29   4.856  -6.021   1.555
  243   3HD1  ILE  29          3HD1      ILE  29   4.046  -5.081   0.307
  244    QG1  ILE  29           QG1      ILE  29   4.842  -7.471  -0.153
  245    QG2  ILE  29           QG2      ILE  29   3.681  -8.907  -2.230
  246    QD1  ILE  29           QD1      ILE  29   4.000  -5.760   1.074
  247    H    LEU  30           HN       LEU  30   3.014  -5.888  -4.318
  248    HA   LEU  30           HA       LEU  30   0.301  -6.310  -5.314
  249   1HB   LEU  30          2HB       LEU  30   2.861  -5.123  -6.228
  250   2HB   LEU  30          3HB       LEU  30   2.146  -6.102  -7.485
  251    HG   LEU  30           HG       LEU  30   1.483  -3.775  -7.591
  252   1HD1  LEU  30          3HD1      LEU  30   0.060  -5.604  -8.504
  253   2HD1  LEU  30          1HD1      LEU  30  -0.912  -5.552  -7.025
  254   3HD1  LEU  30          2HD1      LEU  30  -0.831  -4.133  -8.085
  255   1HD2  LEU  30          2HD2      LEU  30   1.470  -3.233  -5.210
  256   2HD2  LEU  30          3HD2      LEU  30  -0.093  -2.842  -5.945
  257   3HD2  LEU  30          1HD2      LEU  30   0.060  -4.246  -4.919
  258    QB   LEU  30           QB       LEU  30   2.503  -5.613  -6.856
  259    QD1  LEU  30           QD1      LEU  30  -0.561  -5.096  -7.871
  260    QD2  LEU  30           QD2      LEU  30   0.479  -3.440  -5.358
  261    QQD  LEU  30           QQD      LEU  30  -0.041  -4.268  -6.615
  262    H    GLY  31           HN       GLY  31   0.416  -8.415  -4.141
  263   1HA   GLY  31          1HA       GLY  31   0.168 -10.655  -4.448
  264   2HA   GLY  31          2HA       GLY  31   0.630 -10.473  -6.175
  265    QA   GLY  31           QA       GLY  31   0.399 -10.564  -5.312
  266    H    SER  32           HN       SER  32   1.517 -12.653  -4.913
  267    HA   SER  32           HA       SER  32   4.435 -12.133  -4.529
  268   1HB   SER  32          2HB       SER  32   2.870 -12.823  -2.417
  269   2HB   SER  32          3HB       SER  32   3.215 -14.438  -3.046
  270    HG   SER  32           HG       SER  32   4.856 -13.848  -1.655
  271    QB   SER  32           QB       SER  32   3.043 -13.630  -2.731
  272    H    ASN  33           HN       ASP  33   3.916 -12.370  -6.919
  273    HA   ASN  33           HA       ASP  33   3.913 -13.503  -8.866
  274   1HB   ASN  33          2HB       ASP  33   5.305 -15.698  -7.289
  275   2HB   ASN  33          3HB       ASP  33   5.425 -15.386  -9.022
  276    QB   ASN  33           QB       ASP  33   5.365 -15.542  -8.156
  277    H    GLY  34           HN       GLY  34   1.551 -13.958  -7.044
  278   1HA   GLY  34          1HA       GLY  34   0.054 -15.896  -8.439
  279   2HA   GLY  34          2HA       GLY  34   0.802 -16.704  -7.044
  280    QA   GLY  34           QA       GLY  34   0.428 -16.300  -7.742
  281    H    GLU  35           HN       GLU  35   0.612 -15.145  -4.908
  282    HA   GLU  35           HA       GLU  35  -2.060 -14.648  -4.265
  283   1HB   GLU  35          2HB       GLU  35   0.538 -13.534  -3.128
  284   2HB   GLU  35          3HB       GLU  35  -1.037 -13.190  -2.425
  285   1HG   GLU  35          2HG       GLU  35   0.013 -15.045  -1.246
  286   2HG   GLU  35          3HG       GLU  35  -1.473 -15.569  -2.052
  287    QB   GLU  35           QB       GLU  35  -0.250 -13.362  -2.777
  288    QG   GLU  35           QG       GLU  35  -0.730 -15.307  -1.649
  289    H    LYS  36           HN       LYS  36  -2.932 -12.545  -3.577
  290    HA   LYS  36           HA       LYS  36  -2.841 -10.574  -5.778
  291   1HB   LYS  36          2HB       LYS  36  -4.943 -10.988  -3.603
  292   2HB   LYS  36          3HB       LYS  36  -5.038  -9.924  -5.005
  293   1HG   LYS  36          2HG       LYS  36  -4.546 -12.320  -6.250
  294   2HG   LYS  36          3HG       LYS  36  -5.367 -12.885  -4.795
  295   1HD   LYS  36          2HD       LYS  36  -7.063 -10.830  -5.605
  296   2HD   LYS  36          3HD       LYS  36  -6.362 -11.348  -7.147
  297   1HE   LYS  36          2HE       LYS  36  -6.982 -13.777  -6.348
  298   2HE   LYS  36          3HE       LYS  36  -8.001 -12.976  -5.143
  299   1HZ   LYS  36          1HZ       LYS  36  -8.331 -12.133  -7.897
  300   2HZ   LYS  36          2HZ       LYS  36  -8.822 -13.655  -7.539
  301   3HZ   LYS  36          3HZ       LYS  36  -9.468 -12.380  -6.731
  302    QB   LYS  36           QB       LYS  36  -4.991 -10.456  -4.304
  303    QG   LYS  36           QG       LYS  36  -4.957 -12.603  -5.522
  304    QD   LYS  36           QD       LYS  36  -6.713 -11.089  -6.376
  305    QE   LYS  36           QE       LYS  36  -7.492 -13.377  -5.745
  306    QZ   LYS  36           QZ       LYS  36  -8.874 -12.723  -7.389
  307    H    ASN  37           HN       ASN  37  -3.475  -8.289  -4.874
  308    HA   ASN  37           HA       ASN  37  -1.578  -7.052  -3.366
  309   1HB   ASN  37          2HB       ASN  37  -4.516  -6.393  -3.580
  310   2HB   ASN  37          3HB       ASN  37  -3.305  -5.335  -2.856
  311   1HD2  ASN  37          2HD2      ASN  37  -2.394  -3.991  -5.980
  312   2HD2  ASN  37          1HD2      ASN  37  -2.625  -3.744  -4.261
  313    QB   ASN  37           QB       ASN  37  -3.910  -5.864  -3.218
  314    QD2  ASN  37           QD2      ASN  37  -2.509  -3.868  -5.120
  315    H    GLN  38           HN       GLN  38  -1.013  -6.877  -1.236
  316    HA   GLN  38           HA       GLN  38  -2.967  -7.427   0.918
  317   1HB   GLN  38          2HB       GLN  38  -1.336  -8.957   2.037
  318   2HB   GLN  38          3HB       GLN  38  -2.115  -9.579   0.581
  319   1HG   GLN  38          2HG       GLN  38  -0.235  -9.961  -0.506
  320   2HG   GLN  38          3HG       GLN  38   0.369  -8.357  -0.163
  321   1HE2  GLN  38          2HE2      GLN  38   1.193 -11.332   2.613
  322   2HE2  GLN  38          1HE2      GLN  38  -0.363 -11.321   1.795
  323    QB   GLN  38           QB       GLN  38  -1.725  -9.268   1.309
  324    QG   GLN  38           QG       GLN  38   0.067  -9.159  -0.335
  325    QE2  GLN  38           QE2      GLN  38   0.415 -11.326   2.204
  326    H    CYS  39           HN       CYS  39  -2.796  -5.819   2.408
  327    HA   CYS  39           HA       CYS  39  -0.347  -4.198   2.408
  328   1HB   CYS  39          2HB       CYS  39  -2.449  -2.965   2.301
  329   2HB   CYS  39          3HB       CYS  39  -3.075  -3.853   3.694
  330    QB   CYS  39           QB       CYS  39  -2.762  -3.409   2.998
  331    H    VAL  40           HN       VAL  40   1.239  -5.021   3.682
  332    HA   VAL  40           HA       VAL  40   0.515  -6.286   6.323
  333    HB   VAL  40           HB       VAL  40   2.428  -7.695   6.095
  334   1HG1  VAL  40          3HG1      VAL  40   0.405  -8.498   4.965
  335   2HG1  VAL  40          1HG1      VAL  40   0.935  -7.733   3.447
  336   3HG1  VAL  40          2HG1      VAL  40   1.881  -9.058   4.156
  337   1HG2  VAL  40          3HG2      VAL  40   3.285  -5.775   4.013
  338   2HG2  VAL  40          1HG2      VAL  40   4.224  -6.852   5.066
  339   3HG2  VAL  40          2HG2      VAL  40   3.520  -7.467   3.561
  340    QG1  VAL  40           QG1      VAL  40   1.074  -8.429   4.190
  341    QG2  VAL  40           QG2      VAL  40   3.676  -6.698   4.213
  342    QQG  VAL  40           QQG      VAL  40   2.375  -7.564   4.201
  343    H    THR  41           HN       THR  41   2.101  -6.013   8.058
  344    HA   THR  41           HA       THR  41   2.704  -3.289   8.308
  345    HB   THR  41           HB       THR  41   4.058  -5.220  10.119
  346    HG1  THR  41          1HG       THR  41   1.231  -5.189   9.884
  347   1HG2  THR  41          3HG2      THR  41   3.225  -2.600  10.349
  348   2HG2  THR  41          1HG2      THR  41   1.836  -3.444  11.048
  349   3HG2  THR  41          2HG2      THR  41   3.459  -3.697  11.721
  350    QG2  THR  41           QG2      THR  41   2.840  -3.247  11.039
  351    H    GLY  42           HN       GLY  42   4.735  -2.235   8.459
  352   1HA   GLY  42          1HA       GLY  42   7.272  -2.597   8.363
  353   2HA   GLY  42          2HA       GLY  42   6.935  -3.427   6.835
  354    QA   GLY  42           QA       GLY  42   7.104  -3.012   7.599
  355    H    GLU  43           HN       GLU  43   7.680  -0.438   8.144
  356    HA   GLU  43           HA       GLU  43   6.150   1.386   6.674
  357   1HB   GLU  43          2HB       GLU  43   8.019   1.639   8.580
  358   2HB   GLU  43          3HB       GLU  43   9.076   1.927   7.196
  359   1HG   GLU  43          2HG       GLU  43   7.609   3.817   6.509
  360   2HG   GLU  43          3HG       GLU  43   6.501   3.446   7.846
  361    QB   GLU  43           QB       GLU  43   8.548   1.783   7.888
  362    QG   GLU  43           QG       GLU  43   7.055   3.631   7.178
  363    H    GLY  44           HN       GLY  44   6.007   1.761   4.528
  364   1HA   GLY  44          1HA       GLY  44   8.119   0.766   2.641
  365   2HA   GLY  44          2HA       GLY  44   6.378   0.752   2.319
  366    QA   GLY  44           QA       GLY  44   7.248   0.759   2.480
  367    H    THR  45           HN       THR  45   7.357   2.005   0.373
  368    HA   THR  45           HA       THR  45   7.913   4.846   1.016
  369    HB   THR  45           HB       THR  45   9.413   3.405  -0.412
  370    HG1  THR  45          1HG       THR  45   9.718   5.183  -1.886
  371   1HG2  THR  45          3HG2      THR  45   7.740   2.319  -1.843
  372   2HG2  THR  45          1HG2      THR  45   7.348   3.909  -2.573
  373   3HG2  THR  45          2HG2      THR  45   8.950   3.195  -2.784
  374    QG2  THR  45           QG2      THR  45   8.013   3.141  -2.400
  375    HA   PRO  46           HA       PRO  46   3.734   5.762  -0.393
  376   1HB   PRO  46          2HB       PRO  46   3.865   8.449  -0.901
  377   2HB   PRO  46          3HB       PRO  46   3.858   7.719   0.730
  378   1HG   PRO  46          2HG       PRO  46   6.200   8.812  -0.794
  379   2HG   PRO  46          3HG       PRO  46   5.854   8.898   0.956
  380   1HD   PRO  46          2HD       PRO  46   7.590   7.077  -0.251
  381   2HD   PRO  46          3HD       PRO  46   6.802   6.822   1.332
  382    QB   PRO  46           QB       PRO  46   3.861   8.084  -0.085
  383    QG   PRO  46           QG       PRO  46   6.027   8.855   0.081
  384    QD   PRO  46           QD       PRO  46   7.196   6.949   0.541
  385    H    LYS  47           HN       LYS  47   2.541   5.599  -2.206
  386    HA   LYS  47           HA       LYS  47   3.687   5.194  -4.651
  387   1HB   LYS  47          2HB       LYS  47   0.978   5.458  -3.683
  388   2HB   LYS  47          3HB       LYS  47   1.082   6.416  -5.147
  389   1HG   LYS  47          2HG       LYS  47   2.416   4.129  -5.928
  390   2HG   LYS  47          3HG       LYS  47   1.285   3.499  -4.748
  391   1HD   LYS  47          2HD       LYS  47   0.045   3.282  -6.594
  392   2HD   LYS  47          3HD       LYS  47  -0.453   4.932  -6.280
  393   1HE   LYS  47          2HE       LYS  47   1.932   4.142  -8.090
  394   2HE   LYS  47          3HE       LYS  47   0.281   4.159  -8.679
  395   1HZ   LYS  47          2HZ       LYS  47   1.601   6.618  -7.634
  396   2HZ   LYS  47          3HZ       LYS  47   1.455   6.177  -9.185
  397   3HZ   LYS  47          1HZ       LYS  47   0.116   6.465  -8.295
  398    QB   LYS  47           QB       LYS  47   1.030   5.937  -4.415
  399    QG   LYS  47           QG       LYS  47   1.850   3.814  -5.338
  400    QD   LYS  47           QD       LYS  47  -0.204   4.107  -6.437
  401    QE   LYS  47           QE       LYS  47   1.107   4.150  -8.384
  402    QZ   LYS  47           QZ       LYS  47   1.057   6.420  -8.371
  403    HA   PRO  48           HA       PRO  48   4.780   9.291  -6.097
  404   1HB   PRO  48          2HB       PRO  48   4.998   8.814  -8.818
  405   2HB   PRO  48          3HB       PRO  48   6.251   8.426  -7.609
  406   1HG   PRO  48          2HG       PRO  48   4.307   6.566  -8.927
  407   2HG   PRO  48          3HG       PRO  48   5.994   6.262  -8.432
  408   1HD   PRO  48          2HD       PRO  48   3.753   5.471  -7.004
  409   2HD   PRO  48          3HD       PRO  48   5.348   5.697  -6.259
  410    QB   PRO  48           QB       PRO  48   5.625   8.620  -8.214
  411    QG   PRO  48           QG       PRO  48   5.151   6.414  -8.680
  412    QD   PRO  48           QD       PRO  48   4.550   5.584  -6.632
  413    H    GLN  49           HN       GLN  49   3.437  10.948  -6.522
  414    HA   GLN  49           HA       GLN  49   0.649  10.562  -7.209
  415   1HB   GLN  49          2HB       GLN  49   2.352  12.688  -6.122
  416   2HB   GLN  49          3HB       GLN  49   1.451  13.311  -7.493
  417   1HG   GLN  49          2HG       GLN  49   0.131  13.726  -5.573
  418   2HG   GLN  49          3HG       GLN  49  -0.670  12.413  -6.445
  419   1HE2  GLN  49          2HE2      GLN  49   1.123  11.716  -2.778
  420   2HE2  GLN  49          1HE2      GLN  49   1.609  13.108  -3.729
  421    QB   GLN  49           QB       GLN  49   1.902  12.999  -6.808
  422    QG   GLN  49           QG       GLN  49  -0.269  13.070  -6.009
  423    QE2  GLN  49           QE2      GLN  49   1.366  12.412  -3.253
  424    H    SER  50           HN       SER  50  -0.385  11.638  -9.051
  425    HA   SER  50           HA       SER  50   1.315  12.177 -11.437
  426   1HB   SER  50          2HB       SER  50  -0.293  10.820 -12.762
  427   2HB   SER  50          3HB       SER  50   0.618   9.837 -11.597
  428    HG   SER  50           HG       SER  50  -1.977  10.910 -11.193
  429    QB   SER  50           QB       SER  50   0.163  10.328 -12.180
  430    H    HIS  51           HN       HIS  51   0.886  14.400 -10.973
  431    HA   HIS  51           HA       HIS  51  -1.904  15.348 -11.423
  432   1HB   HIS  51          2HB       HIS  51   0.439  16.560  -9.892
  433   2HB   HIS  51          3HB       HIS  51  -0.918  17.510 -10.494
  434    HD1  HIS  51           HD1      HIS  51  -0.141  14.943  -7.774
  435    HD2  HIS  51           HD2      HIS  51  -3.296  17.273  -9.290
  436    HE1  HIS  51           HE1      HIS  51  -2.045  14.822  -6.056
  437    QB   HIS  51           QB       HIS  51  -0.239  17.035 -10.193
   
  Start of MODEL          13
 Raw file had 437 H/Q atoms
  Start of MODEL   13
    1    H    VAL   1           HN       VAL   1 -13.241  11.404   0.779
    2    HA   VAL   1           HA       VAL   1 -11.140  13.037  -0.414
    3    HB   VAL   1           HB       VAL   1  -9.342  11.593   0.544
    4   1HG1  VAL   1          1HG1      VAL   1  -9.769  13.864   1.425
    5   2HG1  VAL   1          2HG1      VAL   1 -10.857  13.188   2.656
    6   3HG1  VAL   1          3HG1      VAL   1  -9.138  12.768   2.661
    7   1HG2  VAL   1          2HG2      VAL   1 -11.488  10.662   2.521
    8   2HG2  VAL   1          3HG2      VAL   1 -10.645   9.655   1.324
    9   3HG2  VAL   1          1HG2      VAL   1  -9.755  10.380   2.670
   10    QG1  VAL   1           QG1      VAL   1  -9.921  13.273   2.248
   11    QG2  VAL   1           QG2      VAL   1 -10.629  10.233   2.172
   12    QQG  VAL   1           QQG      VAL   1 -10.275  11.753   2.210
   13    H    VAL   2           HN       VAL   2  -9.889  11.561  -2.001
   14    HA   VAL   2           HA       VAL   2 -11.289   9.032  -2.632
   15    HB   VAL   2           HB       VAL   2 -10.728  11.310  -4.589
   16   1HG1  VAL   2          1HG1      VAL   2 -11.704   8.463  -5.092
   17   2HG1  VAL   2          2HG1      VAL   2 -11.706   9.770  -6.291
   18   3HG1  VAL   2          3HG1      VAL   2 -10.173   9.169  -5.653
   19   1HG2  VAL   2          3HG2      VAL   2 -13.326   9.971  -3.704
   20   2HG2  VAL   2          1HG2      VAL   2 -12.841  11.649  -3.372
   21   3HG2  VAL   2          2HG2      VAL   2 -13.185  11.144  -5.029
   22    QG1  VAL   2           QG1      VAL   2 -11.194   9.134  -5.679
   23    QG2  VAL   2           QG2      VAL   2 -13.117  10.921  -4.035
   24    QQG  VAL   2           QQG      VAL   2 -12.156  10.028  -4.857
   25    OH   TYR   3           OH       TYR   3  -5.289   9.684   2.459
   26    H    TYR   3           HN       TYR   3  -9.785   7.485  -2.913
   27    HA   TYR   3           HA       TYR   3  -6.907   8.228  -3.262
   28   1HB   TYR   3          2HB       TYR   3  -8.296   6.144  -1.554
   29   2HB   TYR   3          3HB       TYR   3  -6.647   5.905  -2.113
   30    HD1  TYR   3           HD1      TYR   3  -8.740   8.379  -0.210
   31    HD2  TYR   3           HD2      TYR   3  -4.816   6.748  -0.964
   32    HE1  TYR   3           HE1      TYR   3  -7.809   9.725   1.653
   33    HE2  TYR   3           HE2      TYR   3  -3.925   8.047   0.942
   34    HH   TYR   3           HH       TYR   3  -5.934  10.243   2.894
   35    QB   TYR   3           QB       TYR   3  -7.472   6.025  -1.833
   36    QR   TYR   3           QR       TYR   3  -6.323   8.225   0.355
   37    H    THR   4           HN       THR   4  -5.682   6.295  -4.200
   38    HA   THR   4           HA       THR   4  -7.198   4.781  -6.236
   39    HB   THR   4           HB       THR   4  -5.403   5.460  -7.867
   40    HG1  THR   4          1HG       THR   4  -4.217   7.361  -7.285
   41   1HG2  THR   4          1HG2      THR   4  -7.650   6.623  -7.800
   42   2HG2  THR   4          2HG2      THR   4  -6.924   7.875  -6.769
   43   3HG2  THR   4          3HG2      THR   4  -6.334   7.638  -8.422
   44    QG2  THR   4           QG2      THR   4  -6.969   7.379  -7.663
   45    H    ASP   5           HN       ASP   5  -5.738   3.039  -7.144
   46    HA   ASP   5           HA       ASP   5  -4.602   1.696  -4.897
   47   1HB   ASP   5          2HB       ASP   5  -5.023   0.934  -7.802
   48   2HB   ASP   5          3HB       ASP   5  -4.268  -0.148  -6.626
   49    QB   ASP   5           QB       ASP   5  -4.645   0.393  -7.214
   50    H    CYS   6           HN       CYS   6  -2.533   0.498  -4.953
   51    HA   CYS   6           HA       CYS   6  -0.327   2.128  -6.103
   52   1HB   CYS   6          2HB       CYS   6  -0.299  -0.224  -4.207
   53   2HB   CYS   6          3HB       CYS   6   1.125   0.239  -5.158
   54    QB   CYS   6           QB       CYS   6   0.413   0.007  -4.682
   55    H    THR   7           HN       THR   7   1.415   1.041  -7.311
   56    HA   THR   7           HA       THR   7   0.421  -1.101  -9.150
   57    HB   THR   7           HB       THR   7   1.778   0.108 -10.878
   58    HG1  THR   7          1HG       THR   7   3.038   1.519  -9.895
   59   1HG2  THR   7          1HG2      THR   7  -0.695   0.342 -10.719
   60   2HG2  THR   7          2HG2      THR   7  -0.479   1.751  -9.653
   61   3HG2  THR   7          3HG2      THR   7   0.104   1.803 -11.331
   62    QG2  THR   7           QG2      THR   7  -0.356   1.298 -10.568
   63    H    GLU   8           HN       GLU   8   2.710  -0.464  -6.718
   64    HA   GLU   8           HA       GLU   8   4.617  -2.458  -7.865
   65   1HB   GLU   8          2HB       GLU   8   5.618  -0.226  -6.201
   66   2HB   GLU   8          3HB       GLU   8   6.407  -1.093  -7.496
   67   1HG   GLU   8          2HG       GLU   8   4.180   0.981  -7.941
   68   2HG   GLU   8          3HG       GLU   8   5.889   1.352  -7.872
   69    QB   GLU   8           QB       GLU   8   6.012  -0.660  -6.848
   70    QG   GLU   8           QG       GLU   8   5.034   1.166  -7.907
   71    H    SER   9           HN       SER   9   5.187  -4.070  -6.331
   72    HA   SER   9           HA       SER   9   4.028  -4.150  -3.771
   73   1HB   SER   9          2HB       SER   9   6.398  -5.574  -5.001
   74   2HB   SER   9          3HB       SER   9   6.041  -5.754  -3.278
   75    HG   SER   9           HG       SER   9   4.989  -7.320  -4.665
   76    QB   SER   9           QB       SER   9   6.219  -5.664  -4.140
   77    H    GLY  10           HN       GLY  10   4.641  -3.446  -1.780
   78   1HA   GLY  10          1HA       GLY  10   6.222  -2.863  -0.116
   79   2HA   GLY  10          2HA       GLY  10   7.396  -2.385  -1.338
   80    QA   GLY  10           QA       GLY  10   6.809  -2.624  -0.727
   81    H    GLN  11           HN       GLN  11   4.679  -0.984  -2.602
   82    HA   GLN  11           HA       GLN  11   5.404   1.562  -1.580
   83   1HB   GLN  11          2HB       GLN  11   3.227   0.488  -3.399
   84   2HB   GLN  11          3HB       GLN  11   3.271   2.186  -2.890
   85   1HG   GLN  11          2HG       GLN  11   5.408   2.570  -3.833
   86   2HG   GLN  11          3HG       GLN  11   5.550   0.881  -4.341
   87   1HE2  GLN  11          2HE2      GLN  11   4.225   3.150  -7.126
   88   2HE2  GLN  11          1HE2      GLN  11   5.453   3.479  -5.909
   89    QB   GLN  11           QB       GLN  11   3.249   1.337  -3.145
   90    QG   GLN  11           QG       GLN  11   5.479   1.726  -4.087
   91    QE2  GLN  11           QE2      GLN  11   4.839   3.315  -6.517
   92    H    ASN  12           HN       ASN  12   3.633   3.096  -0.718
   93    HA   ASN  12           HA       ASN  12   1.328   1.823   0.561
   94   1HB   ASN  12          2HB       ASN  12   1.834   2.737   2.806
   95   2HB   ASN  12          3HB       ASN  12   3.045   1.587   2.245
   96   1HD2  ASN  12          2HD2      ASN  12   5.223   3.925   3.683
   97   2HD2  ASN  12          1HD2      ASN  12   4.168   2.533   4.054
   98    QB   ASN  12           QB       ASN  12   2.440   2.162   2.526
   99    QD2  ASN  12           QD2      ASN  12   4.696   3.229   3.869
  100    H    LEU  13           HN       LEU  13  -0.001   3.535   1.644
  101    HA   LEU  13           HA       LEU  13  -1.109   5.511   1.692
  102   1HB   LEU  13          2HB       LEU  13   1.501   6.374   1.409
  103   2HB   LEU  13          3HB       LEU  13   0.776   7.112  -0.001
  104    HG   LEU  13           HG       LEU  13   0.874   8.595   1.915
  105   1HD1  LEU  13          1HD1      LEU  13  -1.744   7.879   0.739
  106   2HD1  LEU  13          2HD1      LEU  13  -1.821   8.849   2.223
  107   3HD1  LEU  13          3HD1      LEU  13  -0.906   9.432   0.821
  108   1HD2  LEU  13          2HD2      LEU  13   0.793   6.846   3.678
  109   2HD2  LEU  13          3HD2      LEU  13  -0.211   8.270   3.998
  110   3HD2  LEU  13          1HD2      LEU  13  -0.976   6.766   3.478
  111    QB   LEU  13           QB       LEU  13   1.138   6.743   0.704
  112    QD1  LEU  13           QD1      LEU  13  -1.490   8.720   1.261
  113    QD2  LEU  13           QD2      LEU  13  -0.131   7.294   3.718
  114    QQD  LEU  13           QQD      LEU  13  -0.811   8.007   2.490
  115    H    CYS  14           HN       CYS  14  -2.041   3.673   0.213
  116    HA   CYS  14           HA       CYS  14  -3.365   4.774  -2.101
  117   1HB   CYS  14          2HB       CYS  14  -2.266   3.230  -3.717
  118   2HB   CYS  14          3HB       CYS  14  -1.063   4.296  -3.009
  119    QB   CYS  14           QB       CYS  14  -1.665   3.763  -3.363
  120    H    LEU  15           HN       LEU  15  -4.695   2.973  -3.031
  121    HA   LEU  15           HA       LEU  15  -5.736   1.197  -0.882
  122   1HB   LEU  15          2HB       LEU  15  -6.734   1.515  -3.731
  123   2HB   LEU  15          3HB       LEU  15  -7.595   0.835  -2.340
  124    HG   LEU  15           HG       LEU  15  -6.779   3.748  -2.695
  125   1HD1  LEU  15          3HD1      LEU  15  -9.486   2.395  -2.787
  126   2HD1  LEU  15          1HD1      LEU  15  -9.223   4.151  -2.734
  127   3HD1  LEU  15          2HD1      LEU  15  -8.631   3.208  -4.113
  128   1HD2  LEU  15          1HD2      LEU  15  -8.052   2.263  -0.379
  129   2HD2  LEU  15          2HD2      LEU  15  -6.642   3.342  -0.370
  130   3HD2  LEU  15          3HD2      LEU  15  -8.259   4.012  -0.586
  131    QB   LEU  15           QB       LEU  15  -7.164   1.175  -3.036
  132    QD1  LEU  15           QD1      LEU  15  -9.114   3.252  -3.211
  133    QD2  LEU  15           QD2      LEU  15  -7.651   3.206  -0.445
  134    QQD  LEU  15           QQD      LEU  15  -8.382   3.229  -1.828
  135    H    CYS  16           HN       CYS  16  -5.784  -0.888  -0.841
  136    HA   CYS  16           HA       CYS  16  -3.900  -2.372  -2.676
  137   1HB   CYS  16          2HB       CYS  16  -2.789  -1.519  -0.599
  138   2HB   CYS  16          3HB       CYS  16  -3.924  -2.467   0.364
  139    QB   CYS  16           QB       CYS  16  -3.356  -1.993  -0.118
  140    H    GLU  17           HN       GLU  17  -5.946  -2.950   0.173
  141    HA   GLU  17           HA       GLU  17  -7.337  -5.162  -1.312
  142   1HB   GLU  17          2HB       GLU  17  -7.164  -4.727   1.698
  143   2HB   GLU  17          3HB       GLU  17  -8.224  -5.867   0.855
  144   1HG   GLU  17          2HG       GLU  17  -6.529  -7.314   1.279
  145   2HG   GLU  17          3HG       GLU  17  -5.922  -6.682  -0.253
  146    QB   GLU  17           QB       GLU  17  -7.694  -5.297   1.277
  147    QG   GLU  17           QG       GLU  17  -6.225  -6.998   0.513
  148    H    ASP  18           HN       GLY  18  -8.962  -4.207  -2.382
  149   1HA   ASP  18          1HA       GLY  18 -10.923  -3.072  -2.758
  150   2HA   ASP  18          2HA       GLY  18 -11.255  -3.273  -1.030
  151    QA   ASP  18           QA       GLY  18 -11.089  -3.172  -1.894
  152    H    SER  19           HN       SER  19 -11.682  -1.333  -0.116
  153    HA   SER  19           HA       SER  19 -10.431   1.126  -1.203
  154   1HB   SER  19          2HB       SER  19 -12.984   0.798  -0.964
  155   2HB   SER  19          3HB       SER  19 -12.711   0.904   0.788
  156    HG   SER  19           HG       SER  19 -11.881   2.884  -1.084
  157    QB   SER  19           QB       SER  19 -12.847   0.851  -0.088
  158    H    ASN  20           HN       ASN  20  -9.377  -1.049   0.946
  159    HA   ASN  20           HA       ASN  20  -8.960   0.734   3.249
  160   1HB   ASN  20          2HB       ASN  20  -7.692  -1.940   2.688
  161   2HB   ASN  20          3HB       ASN  20  -7.702  -1.049   4.201
  162   1HD2  ASN  20          2HD2      ASN  20 -10.998  -3.261   3.168
  163   2HD2  ASN  20          1HD2      ASN  20  -9.665  -3.024   2.034
  164    QB   ASN  20           QB       ASN  20  -7.697  -1.494   3.445
  165    QD2  ASN  20           QD2      ASN  20 -10.331  -3.143   2.601
  166    H    VAL  21           HN       VAL  21  -7.418   2.195   3.224
  167    HA   VAL  21           HA       VAL  21  -5.395   2.198   1.136
  168    HB   VAL  21           HB       VAL  21  -6.577   4.290   1.833
  169   1HG1  VAL  21          1HG1      VAL  21  -6.622   3.883   4.326
  170   2HG1  VAL  21          2HG1      VAL  21  -4.892   4.307   4.363
  171   3HG1  VAL  21          3HG1      VAL  21  -6.083   5.494   3.825
  172   1HG2  VAL  21          1HG2      VAL  21  -3.543   4.265   2.132
  173   2HG2  VAL  21          2HG2      VAL  21  -4.504   4.536   0.659
  174   3HG2  VAL  21          3HG2      VAL  21  -4.518   5.731   1.962
  175    QG1  VAL  21           QG1      VAL  21  -5.866   4.562   4.171
  176    QG2  VAL  21           QG2      VAL  21  -4.188   4.844   1.584
  177    QQG  VAL  21           QQG      VAL  21  -5.027   4.703   2.878
  178    H    CYS  22           HN       CYS  22  -3.459   1.277   1.319
  179    HA   CYS  22           HA       CYS  22  -2.623   0.162   3.909
  180   1HB   CYS  22          2HB       CYS  22  -2.379  -0.952   1.636
  181   2HB   CYS  22          3HB       CYS  22  -1.065   0.160   1.298
  182    QB   CYS  22           QB       CYS  22  -1.722  -0.396   1.467
  183    H    GLY  23           HN       GLY  23  -2.580   2.301   4.922
  184   1HA   GLY  23          1HA       GLY  23  -0.965   4.417   3.927
  185   2HA   GLY  23          2HA       GLY  23  -1.661   4.313   5.549
  186    QA   GLY  23           QA       GLY  23  -1.313   4.365   4.738
  187    H    GLN  24           HN       GLN  24   0.623   5.590   5.492
  188    HA   GLN  24           HA       GLN  24   3.036   4.260   5.637
  189   1HB   GLN  24          2HB       GLN  24   3.841   6.087   7.011
  190   2HB   GLN  24          3HB       GLN  24   2.813   6.666   5.705
  191   1HG   GLN  24          2HG       GLN  24   2.198   7.960   7.551
  192   2HG   GLN  24          3HG       GLN  24   0.888   6.786   7.404
  193   1HE2  GLN  24          2HE2      GLN  24   1.344   5.912  10.813
  194   2HE2  GLN  24          1HE2      GLN  24   0.244   6.116   9.464
  195    QB   GLN  24           QB       GLN  24   3.327   6.376   6.358
  196    QG   GLN  24           QG       GLN  24   1.543   7.373   7.477
  197    QE2  GLN  24           QE2      GLN  24   0.794   6.014  10.138
  198    H    GLY  25           HN       GLY  25   4.280   3.345   7.360
  199   1HA   GLY  25          1HA       GLY  25   4.473   2.004   9.277
  200   2HA   GLY  25          2HA       GLY  25   2.749   2.165   9.618
  201    QA   GLY  25           QA       GLY  25   3.611   2.084   9.448
  202    H    ASN  26           HN       ASN  26   2.267   1.531   6.540
  203    HA   ASN  26           HA       ASN  26   2.655  -1.424   6.719
  204   1HB   ASN  26          2HB       ASN  26   0.316  -0.035   5.391
  205   2HB   ASN  26          3HB       ASN  26   0.493  -1.727   5.865
  206   1HD2  ASN  26          2HD2      ASN  26  -0.693   1.107   8.616
  207   2HD2  ASN  26          1HD2      ASN  26   0.055   1.585   7.094
  208    QB   ASN  26           QB       ASN  26   0.404  -0.881   5.628
  209    QD2  ASN  26           QD2      ASN  26  -0.319   1.346   7.855
  210    H    LYS  27           HN       LYS  27   2.340  -2.439   4.460
  211    HA   LYS  27           HA       LYS  27   3.235  -0.778   2.213
  212   1HB   LYS  27          2HB       LYS  27   4.489  -3.516   2.618
  213   2HB   LYS  27          3HB       LYS  27   4.936  -2.163   1.595
  214   1HG   LYS  27          2HG       LYS  27   6.554  -1.936   3.141
  215   2HG   LYS  27          3HG       LYS  27   5.310  -0.951   3.897
  216   1HD   LYS  27          2HD       LYS  27   5.584  -2.243   5.756
  217   2HD   LYS  27          3HD       LYS  27   4.647  -3.442   4.899
  218   1HE   LYS  27          2HE       LYS  27   6.636  -4.578   5.646
  219   2HE   LYS  27          3HE       LYS  27   6.829  -4.326   3.906
  220   1HZ   LYS  27          1HZ       LYS  27   8.038  -2.197   4.682
  221   2HZ   LYS  27          2HZ       LYS  27   8.118  -2.863   6.123
  222   3HZ   LYS  27          3HZ       LYS  27   8.855  -3.637   4.866
  223    QB   LYS  27           QB       LYS  27   4.713  -2.840   2.106
  224    QG   LYS  27           QG       LYS  27   5.932  -1.443   3.519
  225    QD   LYS  27           QD       LYS  27   5.115  -2.843   5.328
  226    QE   LYS  27           QE       LYS  27   6.732  -4.452   4.776
  227    QZ   LYS  27           QZ       LYS  27   8.337  -2.899   5.224
  228    H    CYS  28           HN       CYS  28   2.256  -1.453   0.297
  229    HA   CYS  28           HA       CYS  28   0.348  -3.705   0.398
  230   1HB   CYS  28          2HB       CYS  28  -0.295  -1.494  -0.617
  231   2HB   CYS  28          3HB       CYS  28   0.949  -1.744  -1.847
  232    QB   CYS  28           QB       CYS  28   0.327  -1.619  -1.232
  233    H    ILE  29           HN       ILE  29   1.159  -5.726  -0.125
  234    HA   ILE  29           HA       ILE  29   3.312  -5.973  -2.154
  235    HB   ILE  29           HB       ILE  29   2.011  -7.795  -0.112
  236   1HG1  ILE  29          2HG1      ILE  29   4.231  -8.105   0.696
  237   2HG1  ILE  29          3HG1      ILE  29   4.940  -7.217  -0.672
  238   1HG2  ILE  29          3HG2      ILE  29   3.790  -8.609  -2.442
  239   2HG2  ILE  29          1HG2      ILE  29   3.488  -9.611  -1.007
  240   3HG2  ILE  29          2HG2      ILE  29   2.143  -9.174  -2.060
  241   1HD1  ILE  29          3HD1      ILE  29   3.150  -5.933   1.412
  242   2HD1  ILE  29          1HD1      ILE  29   4.922  -6.014   1.539
  243   3HD1  ILE  29          2HD1      ILE  29   4.190  -5.117   0.211
  244    QG1  ILE  29           QG1      ILE  29   4.586  -7.661   0.012
  245    QG2  ILE  29           QG2      ILE  29   3.140  -9.131  -1.836
  246    QD1  ILE  29           QD1      ILE  29   4.087  -5.688   1.054
  247    H    LEU  30           HN       LEU  30   2.795  -6.450  -4.237
  248    HA   LEU  30           HA       LEU  30   0.022  -6.524  -5.082
  249   1HB   LEU  30          2HB       LEU  30   2.580  -7.034  -6.634
  250   2HB   LEU  30          3HB       LEU  30   0.975  -6.758  -7.330
  251    HG   LEU  30           HG       LEU  30   2.588  -4.741  -5.727
  252   1HD1  LEU  30          1HD1      LEU  30   1.935  -5.048  -8.698
  253   2HD1  LEU  30          2HD1      LEU  30   2.792  -3.703  -7.944
  254   3HD1  LEU  30          3HD1      LEU  30   3.527  -5.303  -7.935
  255   1HD2  LEU  30          3HD2      LEU  30  -0.107  -4.463  -7.130
  256   2HD2  LEU  30          1HD2      LEU  30   0.230  -4.246  -5.394
  257   3HD2  LEU  30          2HD2      LEU  30   0.886  -3.104  -6.567
  258    QB   LEU  30           QB       LEU  30   1.777  -6.896  -6.982
  259    QD1  LEU  30           QD1      LEU  30   2.751  -4.685  -8.193
  260    QD2  LEU  30           QD2      LEU  30   0.337  -3.938  -6.364
  261    QQD  LEU  30           QQD      LEU  30   1.544  -4.311  -7.278
  262    H    GLY  31           HN       GLY  31  -0.224  -8.440  -3.555
  263   1HA   GLY  31          1HA       GLY  31  -1.086 -10.572  -3.564
  264   2HA   GLY  31          2HA       GLY  31  -0.765 -10.702  -5.308
  265    QA   GLY  31           QA       GLY  31  -0.926 -10.637  -4.436
  266    H    SER  32           HN       SER  32  -0.393 -12.919  -4.052
  267    HA   SER  32           HA       SER  32   2.542 -13.235  -3.909
  268   1HB   SER  32          2HB       SER  32   1.407 -12.954  -1.507
  269   2HB   SER  32          3HB       SER  32   1.000 -14.660  -1.741
  270    HG   SER  32           HG       SER  32   3.566 -13.420  -1.871
  271    QB   SER  32           QB       SER  32   1.203 -13.807  -1.624
  272    H    ASN  33           HN       ASP  33   2.402 -14.149  -5.866
  273    HA   ASN  33           HA       ASP  33   1.952 -15.592  -7.507
  274   1HB   ASN  33          2HB       ASP  33   3.750 -16.643  -6.135
  275   2HB   ASN  33          3HB       ASP  33   2.516 -17.633  -5.331
  276    QB   ASN  33           QB       ASP  33   3.133 -17.138  -5.733
  277    H    GLY  34           HN       GLY  34  -0.273 -14.832  -7.430
  278   1HA   GLY  34          1HA       GLY  34  -2.332 -15.539  -8.203
  279   2HA   GLY  34          2HA       GLY  34  -2.101 -17.072  -7.380
  280    QA   GLY  34           QA       GLY  34  -2.216 -16.306  -7.791
  281    H    GLU  35           HN       GLU  35  -1.427 -15.732  -4.664
  282    HA   GLU  35           HA       GLU  35  -4.093 -15.132  -3.770
  283   1HB   GLU  35          2HB       GLU  35  -1.378 -14.449  -2.565
  284   2HB   GLU  35          3HB       GLU  35  -2.952 -14.228  -1.800
  285   1HG   GLU  35          2HG       GLU  35  -3.362 -16.705  -2.039
  286   2HG   GLU  35          3HG       GLU  35  -1.659 -16.868  -2.520
  287    QB   GLU  35           QB       GLU  35  -2.165 -14.338  -2.183
  288    QG   GLU  35           QG       GLU  35  -2.510 -16.786  -2.280
  289    H    LYS  36           HN       LYS  36  -5.020 -13.165  -3.371
  290    HA   LYS  36           HA       LYS  36  -4.429 -10.987  -5.163
  291   1HB   LYS  36          2HB       LYS  36  -6.341 -11.165  -2.789
  292   2HB   LYS  36          3HB       LYS  36  -6.332  -9.897  -4.018
  293   1HG   LYS  36          2HG       LYS  36  -6.583 -11.864  -5.721
  294   2HG   LYS  36          3HG       LYS  36  -7.131 -12.812  -4.343
  295   1HD   LYS  36          2HD       LYS  36  -8.286 -10.122  -5.246
  296   2HD   LYS  36          3HD       LYS  36  -8.944 -11.664  -5.759
  297   1HE   LYS  36          2HE       LYS  36  -8.784 -10.821  -2.817
  298   2HE   LYS  36          3HE       LYS  36 -10.157 -10.449  -3.865
  299   1HZ   LYS  36          2HZ       LYS  36 -10.483 -12.790  -4.226
  300   2HZ   LYS  36          3HZ       LYS  36  -9.230 -13.164  -3.223
  301   3HZ   LYS  36          1HZ       LYS  36 -10.569 -12.420  -2.629
  302    QB   LYS  36           QB       LYS  36  -6.337 -10.531  -3.403
  303    QG   LYS  36           QG       LYS  36  -6.857 -12.338  -5.032
  304    QD   LYS  36           QD       LYS  36  -8.615 -10.893  -5.502
  305    QE   LYS  36           QE       LYS  36  -9.471 -10.635  -3.341
  306    QZ   LYS  36           QZ       LYS  36 -10.094 -12.791  -3.359
  307    H    ASN  37           HN       ASN  37  -4.467  -8.704  -4.230
  308    HA   ASN  37           HA       ASN  37  -2.153  -7.882  -3.078
  309   1HB   ASN  37          2HB       ASN  37  -4.936  -6.694  -3.074
  310   2HB   ASN  37          3HB       ASN  37  -3.590  -5.853  -2.307
  311   1HD2  ASN  37          2HD2      ASN  37  -1.890  -5.014  -5.304
  312   2HD2  ASN  37          1HD2      ASN  37  -1.633  -5.381  -3.602
  313    QB   ASN  37           QB       ASN  37  -4.263  -6.274  -2.690
  314    QD2  ASN  37           QD2      ASN  37  -1.761  -5.197  -4.453
  315    H    GLN  38           HN       GLN  38  -1.284  -7.419  -1.147
  316    HA   GLN  38           HA       GLN  38  -2.751  -8.164   1.338
  317   1HB   GLN  38          2HB       GLN  38   0.094  -9.056   0.755
  318   2HB   GLN  38          3HB       GLN  38  -0.974  -9.508   2.095
  319   1HG   GLN  38          2HG       GLN  38  -2.551 -10.464   0.294
  320   2HG   GLN  38          3HG       GLN  38  -1.208 -10.198  -0.852
  321   1HE2  GLN  38          2HE2      GLN  38  -0.981 -13.721  -0.147
  322   2HE2  GLN  38          1HE2      GLN  38  -1.753 -12.489  -1.150
  323    QB   GLN  38           QB       GLN  38  -0.440  -9.282   1.425
  324    QG   GLN  38           QG       GLN  38  -1.880 -10.331  -0.279
  325    QE2  GLN  38           QE2      GLN  38  -1.367 -13.105  -0.649
  326    H    CYS  39           HN       CYS  39  -2.797  -6.235   2.430
  327    HA   CYS  39           HA       CYS  39  -0.529  -4.368   2.376
  328   1HB   CYS  39          2HB       CYS  39  -2.798  -3.500   2.469
  329   2HB   CYS  39          3HB       CYS  39  -3.101  -4.391   3.969
  330    QB   CYS  39           QB       CYS  39  -2.949  -3.945   3.219
  331    H    VAL  40           HN       VAL  40   1.292  -5.153   3.445
  332    HA   VAL  40           HA       VAL  40   0.911  -6.591   6.050
  333    HB   VAL  40           HB       VAL  40   2.999  -7.570   5.812
  334   1HG1  VAL  40          3HG1      VAL  40   1.245  -8.509   4.292
  335   2HG1  VAL  40          1HG1      VAL  40   1.942  -7.561   2.958
  336   3HG1  VAL  40          2HG1      VAL  40   2.909  -8.812   3.758
  337   1HG2  VAL  40          2HG2      VAL  40   3.605  -5.563   3.629
  338   2HG2  VAL  40          3HG2      VAL  40   4.440  -5.796   5.178
  339   3HG2  VAL  40          1HG2      VAL  40   4.583  -7.021   3.917
  340    QG1  VAL  40           QG1      VAL  40   2.032  -8.294   3.670
  341    QG2  VAL  40           QG2      VAL  40   4.209  -6.127   4.241
  342    QQG  VAL  40           QQG      VAL  40   3.121  -7.211   3.955
  343    H    THR  41           HN       THR  41   2.679  -6.086   7.670
  344    HA   THR  41           HA       THR  41   2.504  -3.171   8.077
  345    HB   THR  41           HB       THR  41   3.295  -5.089  10.252
  346    HG1  THR  41          1HG       THR  41   1.540  -6.161   9.373
  347   1HG2  THR  41          2HG2      THR  41   1.393  -2.703  10.075
  348   2HG2  THR  41          3HG2      THR  41   1.824  -3.583  11.552
  349   3HG2  THR  41          1HG2      THR  41   3.059  -2.632  10.700
  350    QG2  THR  41           QG2      THR  41   2.092  -2.973  10.776
  351    H    GLY  42           HN       GLY  42   4.342  -2.009   9.029
  352   1HA   GLY  42          1HA       GLY  42   6.517  -1.976   9.965
  353   2HA   GLY  42          2HA       GLY  42   7.002  -3.370   9.002
  354    QA   GLY  42           QA       GLY  42   6.760  -2.673   9.483
  355    H    GLU  43           HN       GLU  43   5.390  -0.363   8.131
  356    HA   GLU  43           HA       GLU  43   5.683   1.304   6.768
  357   1HB   GLU  43          2HB       GLU  43   7.309   1.719   8.621
  358   2HB   GLU  43          3HB       GLU  43   8.615   1.237   7.528
  359   1HG   GLU  43          2HG       GLU  43   8.095   3.090   6.026
  360   2HG   GLU  43          3HG       GLU  43   6.581   3.436   6.891
  361    QB   GLU  43           QB       GLU  43   7.962   1.478   8.075
  362    QG   GLU  43           QG       GLU  43   7.338   3.263   6.459
  363    H    GLY  44           HN       GLY  44   6.314   2.280   4.786
  364   1HA   GLY  44          1HA       GLY  44   7.526   0.507   2.747
  365   2HA   GLY  44          2HA       GLY  44   5.778   0.821   2.658
  366    QA   GLY  44           QA       GLY  44   6.652   0.664   2.703
  367    H    THR  45           HN       THR  45   6.927   1.544   0.522
  368    HA   THR  45           HA       THR  45   8.164   4.187   0.698
  369    HB   THR  45           HB       THR  45   7.664   2.373  -1.696
  370    HG1  THR  45          1HG       THR  45   9.764   2.454   0.203
  371   1HG2  THR  45          1HG2      THR  45   9.732   4.567  -1.205
  372   2HG2  THR  45          2HG2      THR  45   9.692   3.468  -2.598
  373   3HG2  THR  45          3HG2      THR  45   8.377   4.633  -2.359
  374    QG2  THR  45           QG2      THR  45   9.267   4.223  -2.054
  375    HA   PRO  46           HA       PRO  46   4.226   6.081  -0.492
  376   1HB   PRO  46          2HB       PRO  46   5.041   8.609  -1.200
  377   2HB   PRO  46          3HB       PRO  46   4.879   8.044   0.487
  378   1HG   PRO  46          2HG       PRO  46   7.394   8.127  -1.212
  379   2HG   PRO  46          3HG       PRO  46   7.192   8.749   0.453
  380   1HD   PRO  46          2HD       PRO  46   8.283   6.317  -0.033
  381   2HD   PRO  46          3HD       PRO  46   7.162   6.530   1.348
  382    QB   PRO  46           QB       PRO  46   4.960   8.326  -0.357
  383    QG   PRO  46           QG       PRO  46   7.293   8.438  -0.380
  384    QD   PRO  46           QD       PRO  46   7.722   6.423   0.658
  385    H    LYS  47           HN       LYS  47   3.164   5.961  -2.410
  386    HA   LYS  47           HA       LYS  47   4.509   5.238  -4.783
  387   1HB   LYS  47          2HB       LYS  47   2.289   4.486  -4.460
  388   2HB   LYS  47          3HB       LYS  47   1.666   6.127  -4.209
  389   1HG   LYS  47          2HG       LYS  47   1.627   6.655  -6.395
  390   2HG   LYS  47          3HG       LYS  47   3.056   5.678  -6.797
  391   1HD   LYS  47          2HD       LYS  47   1.651   3.598  -6.566
  392   2HD   LYS  47          3HD       LYS  47   0.233   4.660  -6.598
  393   1HE   LYS  47          2HE       LYS  47   2.436   4.310  -8.705
  394   2HE   LYS  47          3HE       LYS  47   0.711   4.006  -8.899
  395   1HZ   LYS  47          2HZ       LYS  47   0.372   6.406  -8.646
  396   2HZ   LYS  47          3HZ       LYS  47   1.994   6.689  -8.563
  397   3HZ   LYS  47          1HZ       LYS  47   1.313   6.098  -9.931
  398    QB   LYS  47           QB       LYS  47   1.977   5.307  -4.335
  399    QG   LYS  47           QG       LYS  47   2.342   6.167  -6.596
  400    QD   LYS  47           QD       LYS  47   0.942   4.129  -6.582
  401    QE   LYS  47           QE       LYS  47   1.574   4.158  -8.802
  402    QZ   LYS  47           QZ       LYS  47   1.226   6.398  -9.047
  403    HA   PRO  48           HA       PRO  48   5.358   9.443  -6.307
  404   1HB   PRO  48          2HB       PRO  48   6.487   8.873  -8.718
  405   2HB   PRO  48          3HB       PRO  48   7.323   8.529  -7.175
  406   1HG   PRO  48          2HG       PRO  48   5.663   6.613  -8.836
  407   2HG   PRO  48          3HG       PRO  48   7.332   6.367  -8.245
  408   1HD   PRO  48          2HD       PRO  48   5.205   5.401  -6.920
  409   2HD   PRO  48          3HD       PRO  48   6.580   6.073  -6.001
  410    QB   PRO  48           QB       PRO  48   6.905   8.701  -7.947
  411    QG   PRO  48           QG       PRO  48   6.498   6.490  -8.540
  412    QD   PRO  48           QD       PRO  48   5.892   5.737  -6.461
  413    H    GLN  49           HN       GLN  49   4.852  10.651  -8.333
  414    HA   GLN  49           HA       GLN  49   2.215  11.024  -8.641
  415   1HB   GLN  49          2HB       GLN  49   2.725  12.560 -10.301
  416   2HB   GLN  49          3HB       GLN  49   4.182  12.506  -9.328
  417   1HG   GLN  49          2HG       GLN  49   3.754  11.160 -12.061
  418   2HG   GLN  49          3HG       GLN  49   4.667  12.626 -11.742
  419   1HE2  GLN  49          2HE2      GLN  49   7.412  10.848 -10.125
  420   2HE2  GLN  49          1HE2      GLN  49   6.416  12.263  -9.825
  421    QB   GLN  49           QB       GLN  49   3.453  12.533  -9.814
  422    QG   GLN  49           QG       GLN  49   4.210  11.893 -11.902
  423    QE2  GLN  49           QE2      GLN  49   6.914  11.556  -9.975
  424    H    SER  50           HN       SER  50   0.637  10.757 -10.275
  425    HA   SER  50           HA       SER  50   1.138   9.399 -12.704
  426   1HB   SER  50          2HB       SER  50  -0.781   8.038 -10.741
  427   2HB   SER  50          3HB       SER  50  -0.580   7.615 -12.440
  428    HG   SER  50           HG       SER  50   1.841   7.590 -11.490
  429    QB   SER  50           QB       SER  50  -0.681   7.827 -11.591
  430    H    HIS  51           HN       HIS  51  -1.072   9.344 -13.863
  431    HA   HIS  51           HA       HIS  51  -2.981  11.433 -12.960
  432   1HB   HIS  51          2HB       HIS  51  -2.832   9.687 -15.458
  433   2HB   HIS  51          3HB       HIS  51  -4.180  10.751 -15.045
  434    HD1  HIS  51           HD1      HIS  51  -3.123  13.463 -14.522
  435    HD2  HIS  51           HD2      HIS  51  -1.293  10.826 -17.243
  436    HE1  HIS  51           HE1      HIS  51  -1.766  14.904 -16.144
  437    QB   HIS  51           QB       HIS  51  -3.506  10.219 -15.251
   
  Start of MODEL          14
 Raw file had 437 H/Q atoms
  Start of MODEL   14
    1    H    VAL   1           HN       VAL   1 -11.143   9.853   1.476
    2    HA   VAL   1           HA       VAL   1  -9.797   7.868   1.259
    3    HB   VAL   1           HB       VAL   1 -11.240   6.311   2.222
    4   1HG1  VAL   1          3HG1      VAL   1 -13.143   6.648  -0.138
    5   2HG1  VAL   1          1HG1      VAL   1 -13.226   5.367   1.076
    6   3HG1  VAL   1          2HG1      VAL   1 -13.448   7.056   1.562
    7   1HG2  VAL   1          2HG2      VAL   1  -9.628   5.689   0.175
    8   2HG2  VAL   1          3HG2      VAL   1 -10.598   4.507   1.044
    9   3HG2  VAL   1          1HG2      VAL   1 -11.151   5.118  -0.524
   10    QG1  VAL   1           QG1      VAL   1 -13.272   6.357   0.833
   11    QG2  VAL   1           QG2      VAL   1 -10.459   5.105   0.232
   12    QQG  VAL   1           QQG      VAL   1 -11.866   5.731   0.532
   13    H    VAL   2           HN       VAL   2  -9.275   9.630  -0.303
   14    HA   VAL   2           HA       VAL   2 -10.315   9.062  -3.059
   15    HB   VAL   2           HB       VAL   2  -9.360  11.671  -1.821
   16   1HG1  VAL   2          1HG1      VAL   2 -10.111  10.926  -4.673
   17   2HG1  VAL   2          2HG1      VAL   2 -10.107  12.600  -4.073
   18   3HG1  VAL   2          3HG1      VAL   2  -8.609  11.677  -4.092
   19   1HG2  VAL   2          1HG2      VAL   2 -12.015  10.418  -2.087
   20   2HG2  VAL   2          2HG2      VAL   2 -11.516  11.867  -1.197
   21   3HG2  VAL   2          3HG2      VAL   2 -11.941  11.973  -2.909
   22    QG1  VAL   2           QG1      VAL   2  -9.609  11.734  -4.279
   23    QG2  VAL   2           QG2      VAL   2 -11.824  11.419  -2.065
   24    QQG  VAL   2           QQG      VAL   2 -10.717  11.577  -3.172
   25    OH   TYR   3           OH       TYR   3  -6.171  10.282   2.214
   26    H    TYR   3           HN       TYR   3  -8.782   7.315  -3.211
   27    HA   TYR   3           HA       TYR   3  -6.090   8.245  -3.802
   28   1HB   TYR   3          2HB       TYR   3  -6.608   5.890  -2.001
   29   2HB   TYR   3          3HB       TYR   3  -5.016   6.477  -2.499
   30    HD1  TYR   3           HD2      TYR   3  -4.195   8.728  -1.588
   31    HD2  TYR   3           HD1      TYR   3  -7.859   6.917  -0.274
   32    HE1  TYR   3           HE2      TYR   3  -4.265  10.265   0.355
   33    HE2  TYR   3           HE1      TYR   3  -7.727   8.227   1.862
   34    HH   TYR   3           HH       TYR   3  -5.567  11.022   2.133
   35    QB   TYR   3           QB       TYR   3  -5.812   6.184  -2.250
   36    QR   TYR   3           QR       TYR   3  -6.012   8.534   0.089
   37    H    THR   4           HN       THR   4  -4.868   6.036  -4.679
   38    HA   THR   4           HA       THR   4  -6.781   4.642  -6.495
   39    HB   THR   4           HB       THR   4  -5.190   4.852  -8.285
   40    HG1  THR   4          1HG       THR   4  -3.275   4.970  -7.022
   41   1HG2  THR   4          2HG2      THR   4  -6.881   6.690  -7.814
   42   2HG2  THR   4          3HG2      THR   4  -5.565   7.633  -7.086
   43   3HG2  THR   4          1HG2      THR   4  -5.494   7.185  -8.801
   44    QG2  THR   4           QG2      THR   4  -5.980   7.169  -7.900
   45    H    ASP   5           HN       ASP   5  -5.853   2.561  -7.374
   46    HA   ASP   5           HA       ASP   5  -4.895   0.934  -5.353
   47   1HB   ASP   5          2HB       ASP   5  -4.939   0.623  -8.378
   48   2HB   ASP   5          3HB       ASP   5  -4.363  -0.664  -7.317
   49    QB   ASP   5           QB       ASP   5  -4.651  -0.021  -7.847
   50    H    CYS   6           HN       CYS   6  -2.811  -0.503  -5.587
   51    HA   CYS   6           HA       CYS   6  -0.585   1.457  -5.612
   52   1HB   CYS   6          2HB       CYS   6  -0.598  -1.439  -4.744
   53   2HB   CYS   6          3HB       CYS   6   0.848  -0.440  -4.891
   54    QB   CYS   6           QB       CYS   6   0.125  -0.940  -4.817
   55    H    THR   7           HN       THR   7   1.289   1.226  -6.819
   56    HA   THR   7           HA       THR   7   0.796   0.014  -9.506
   57    HB   THR   7           HB       THR   7   2.193   1.798 -10.367
   58    HG1  THR   7          1HG       THR   7   2.220   2.741  -7.690
   59   1HG2  THR   7          2HG2      THR   7  -0.303   2.158 -10.020
   60   2HG2  THR   7          3HG2      THR   7   0.071   2.938  -8.477
   61   3HG2  THR   7          1HG2      THR   7   0.657   3.653  -9.994
   62    QG2  THR   7           QG2      THR   7   0.141   2.916  -9.497
   63    H    GLU   8           HN       GLU   8   2.934  -0.053  -6.725
   64    HA   GLU   8           HA       GLU   8   4.539  -2.149  -7.998
   65   1HB   GLU   8          2HB       GLU   8   6.602  -1.001  -6.981
   66   2HB   GLU   8          3HB       GLU   8   5.914  -0.293  -8.463
   67   1HG   GLU   8          2HG       GLU   8   4.770   1.434  -7.059
   68   2HG   GLU   8          3HG       GLU   8   5.630   0.742  -5.661
   69    QB   GLU   8           QB       GLU   8   6.258  -0.647  -7.722
   70    QG   GLU   8           QG       GLU   8   5.200   1.088  -6.360
   71    H    SER   9           HN       SER   9   5.289  -3.665  -6.481
   72    HA   SER   9           HA       SER   9   3.915  -3.883  -3.980
   73   1HB   SER   9          2HB       SER   9   6.205  -5.372  -5.322
   74   2HB   SER   9          3HB       SER   9   5.793  -5.711  -3.638
   75    HG   SER   9           HG       SER   9   4.657  -7.032  -5.210
   76    QB   SER   9           QB       SER   9   5.999  -5.542  -4.480
   77    H    GLY  10           HN       GLY  10   4.811  -3.921  -1.874
   78   1HA   GLY  10          1HA       GLY  10   6.337  -3.426  -0.174
   79   2HA   GLY  10          2HA       GLY  10   7.546  -2.957  -1.375
   80    QA   GLY  10           QA       GLY  10   6.941  -3.191  -0.775
   81    H    GLN  11           HN       GLN  11   4.369  -1.609  -1.842
   82    HA   GLN  11           HA       GLN  11   5.432   1.003  -0.957
   83   1HB   GLN  11          2HB       GLN  11   5.084   0.324  -3.549
   84   2HB   GLN  11          3HB       GLN  11   3.370   0.646  -3.140
   85   1HG   GLN  11          2HG       GLN  11   3.909   2.943  -2.510
   86   2HG   GLN  11          3HG       GLN  11   5.632   2.597  -2.825
   87   1HE2  GLN  11          2HE2      GLN  11   3.189   2.987  -6.051
   88   2HE2  GLN  11          1HE2      GLN  11   2.475   2.261  -4.591
   89    QB   GLN  11           QB       GLN  11   4.227   0.485  -3.345
   90    QG   GLN  11           QG       GLN  11   4.771   2.770  -2.668
   91    QE2  GLN  11           QE2      GLN  11   2.832   2.624  -5.321
   92    H    ASN  12           HN       ASN  12   3.774   2.620  -0.545
   93    HA   ASN  12           HA       ASN  12   1.232   1.483   0.525
   94   1HB   ASN  12          2HB       ASN  12   1.598   2.317   2.727
   95   2HB   ASN  12          3HB       ASN  12   3.023   1.421   2.244
   96   1HD2  ASN  12          2HD2      ASN  12   4.738   3.997   3.778
   97   2HD2  ASN  12          1HD2      ASN  12   3.750   2.557   4.174
   98    QB   ASN  12           QB       ASN  12   2.310   1.869   2.485
   99    QD2  ASN  12           QD2      ASN  12   4.244   3.277   3.976
  100    H    LEU  13           HN       LEU  13   0.101   3.498   1.671
  101    HA   LEU  13           HA       LEU  13  -1.124   5.305   1.328
  102   1HB   LEU  13          2HB       LEU  13   1.471   6.115   1.057
  103   2HB   LEU  13          3HB       LEU  13   0.877   6.609  -0.521
  104    HG   LEU  13           HG       LEU  13  -0.789   8.074   0.582
  105   1HD1  LEU  13          3HD1      LEU  13   0.208   6.662   3.083
  106   2HD1  LEU  13          1HD1      LEU  13  -0.404   8.323   3.190
  107   3HD1  LEU  13          2HD1      LEU  13  -1.462   7.039   2.611
  108   1HD2  LEU  13          3HD2      LEU  13   1.522   8.882   0.184
  109   2HD2  LEU  13          1HD2      LEU  13   0.855   9.606   1.661
  110   3HD2  LEU  13          2HD2      LEU  13   2.020   8.271   1.777
  111    QB   LEU  13           QB       LEU  13   1.174   6.362   0.268
  112    QD1  LEU  13           QD1      LEU  13  -0.553   7.341   2.961
  113    QD2  LEU  13           QD2      LEU  13   1.466   8.920   1.207
  114    QQD  LEU  13           QQD      LEU  13   0.456   8.130   2.084
  115    H    CYS  14           HN       CYS  14  -1.642   3.110  -0.180
  116    HA   CYS  14           HA       CYS  14  -3.132   4.191  -2.404
  117   1HB   CYS  14          2HB       CYS  14  -2.119   2.415  -3.972
  118   2HB   CYS  14          3HB       CYS  14  -1.290   3.936  -3.697
  119    QB   CYS  14           QB       CYS  14  -1.704   3.176  -3.834
  120    H    LEU  15           HN       LEU  15  -4.661   2.659  -3.200
  121    HA   LEU  15           HA       LEU  15  -5.905   1.226  -0.971
  122   1HB   LEU  15          2HB       LEU  15  -6.775   1.530  -3.877
  123   2HB   LEU  15          3HB       LEU  15  -7.781   0.992  -2.521
  124    HG   LEU  15           HG       LEU  15  -6.603   3.779  -2.841
  125   1HD1  LEU  15          3HD1      LEU  15  -9.451   2.730  -3.109
  126   2HD1  LEU  15          1HD1      LEU  15  -9.002   4.443  -3.081
  127   3HD1  LEU  15          2HD1      LEU  15  -8.436   3.407  -4.406
  128   1HD2  LEU  15          3HD2      LEU  15  -8.520   2.648  -0.758
  129   2HD2  LEU  15          1HD2      LEU  15  -6.854   3.182  -0.446
  130   3HD2  LEU  15          2HD2      LEU  15  -8.081   4.354  -0.926
  131    QB   LEU  15           QB       LEU  15  -7.278   1.261  -3.199
  132    QD1  LEU  15           QD1      LEU  15  -8.963   3.526  -3.532
  133    QD2  LEU  15           QD2      LEU  15  -7.819   3.395  -0.710
  134    QQD  LEU  15           QQD      LEU  15  -8.391   3.461  -2.121
  135    H    CYS  16           HN       CYS  16  -5.179  -0.697  -0.466
  136    HA   CYS  16           HA       CYS  16  -3.990  -2.462  -2.577
  137   1HB   CYS  16          2HB       CYS  16  -2.611  -1.671  -0.639
  138   2HB   CYS  16          3HB       CYS  16  -3.728  -2.508   0.429
  139    QB   CYS  16           QB       CYS  16  -3.169  -2.089  -0.105
  140    H    GLU  17           HN       GLU  17  -5.753  -2.774   0.509
  141    HA   GLU  17           HA       GLU  17  -7.288  -5.115  -0.516
  142   1HB   GLU  17          2HB       GLU  17  -6.679  -4.079   2.269
  143   2HB   GLU  17          3HB       GLU  17  -8.053  -5.153   1.944
  144   1HG   GLU  17          2HG       GLU  17  -6.554  -6.801   0.869
  145   2HG   GLU  17          3HG       GLU  17  -5.159  -5.758   1.194
  146    QB   GLU  17           QB       GLU  17  -7.366  -4.616   2.107
  147    QG   GLU  17           QG       GLU  17  -5.856  -6.279   1.031
  148    H    ASP  18           HN       GLY  18  -8.730  -4.131  -1.876
  149   1HA   ASP  18          1HA       GLY  18 -10.758  -3.168  -2.398
  150   2HA   ASP  18          2HA       GLY  18 -11.132  -3.235  -0.664
  151    QA   ASP  18           QA       GLY  18 -10.945  -3.201  -1.531
  152    H    SER  19           HN       SER  19 -11.814  -1.221  -0.072
  153    HA   SER  19           HA       SER  19 -10.553   1.193  -1.226
  154   1HB   SER  19          2HB       SER  19 -13.182   0.601  -0.471
  155   2HB   SER  19          3HB       SER  19 -12.557   1.505   0.915
  156    HG   SER  19           HG       SER  19 -12.651   2.307  -1.810
  157    QB   SER  19           QB       SER  19 -12.870   1.053   0.222
  158    H    ASN  20           HN       ASN  20  -9.538  -0.909   1.107
  159    HA   ASN  20           HA       ASN  20  -9.182   0.968   3.312
  160   1HB   ASN  20          2HB       ASN  20  -7.776  -1.679   2.989
  161   2HB   ASN  20          3HB       ASN  20  -8.104  -0.773   4.463
  162   1HD2  ASN  20          2HD2      ASN  20 -10.528  -3.678   4.045
  163   2HD2  ASN  20          1HD2      ASN  20  -8.783  -3.576   3.904
  164    QB   ASN  20           QB       ASN  20  -7.940  -1.226   3.726
  165    QD2  ASN  20           QD2      ASN  20  -9.655  -3.627   3.975
  166    H    VAL  21           HN       VAL  21  -7.580   2.462   3.344
  167    HA   VAL  21           HA       VAL  21  -5.548   2.450   1.247
  168    HB   VAL  21           HB       VAL  21  -5.794   4.424   3.525
  169   1HG1  VAL  21          3HG1      VAL  21  -3.786   4.497   1.992
  170   2HG1  VAL  21          1HG1      VAL  21  -4.883   4.752   0.625
  171   3HG1  VAL  21          2HG1      VAL  21  -4.774   5.964   1.917
  172   1HG2  VAL  21          1HG2      VAL  21  -7.929   3.965   1.644
  173   2HG2  VAL  21          2HG2      VAL  21  -7.730   5.271   2.823
  174   3HG2  VAL  21          3HG2      VAL  21  -7.091   5.423   1.186
  175    QG1  VAL  21           QG1      VAL  21  -4.481   5.071   1.511
  176    QG2  VAL  21           QG2      VAL  21  -7.583   4.886   1.884
  177    QQG  VAL  21           QQG      VAL  21  -6.032   4.979   1.698
  178    H    CYS  22           HN       CYS  22  -3.509   1.616   1.507
  179    HA   CYS  22           HA       CYS  22  -2.766   0.560   4.126
  180   1HB   CYS  22          2HB       CYS  22  -2.272  -0.413   1.786
  181   2HB   CYS  22          3HB       CYS  22  -0.947   0.748   1.713
  182    QB   CYS  22           QB       CYS  22  -1.609   0.168   1.749
  183    H    GLY  23           HN       GLY  23  -2.765   2.511   5.419
  184   1HA   GLY  23          1HA       GLY  23  -1.260   4.844   4.857
  185   2HA   GLY  23          2HA       GLY  23  -1.767   4.306   6.463
  186    QA   GLY  23           QA       GLY  23  -1.514   4.575   5.660
  187    H    GLN  24           HN       GLN  24   0.634   5.673   6.258
  188    HA   GLN  24           HA       GLN  24   2.931   4.170   5.979
  189   1HB   GLN  24          2HB       GLN  24   2.191   6.597   7.574
  190   2HB   GLN  24          3HB       GLN  24   3.550   5.682   8.209
  191   1HG   GLN  24          2HG       GLN  24   4.625   7.148   6.855
  192   2HG   GLN  24          3HG       GLN  24   4.552   5.722   5.826
  193   1HE2  GLN  24          2HE2      GLN  24   3.176   9.136   4.366
  194   2HE2  GLN  24          1HE2      GLN  24   4.388   8.951   5.620
  195    QB   GLN  24           QB       GLN  24   2.871   6.139   7.891
  196    QG   GLN  24           QG       GLN  24   4.588   6.435   6.340
  197    QE2  GLN  24           QE2      GLN  24   3.782   9.043   4.993
  198    H    GLY  25           HN       GLY  25   4.346   3.112   7.427
  199   1HA   GLY  25          1HA       GLY  25   4.908   1.738   9.217
  200   2HA   GLY  25          2HA       GLY  25   3.302   1.949   9.933
  201    QA   GLY  25           QA       GLY  25   4.105   1.843   9.575
  202    H    ASN  26           HN       ASN  26   2.642   1.348   6.784
  203    HA   ASN  26           HA       ASN  26   2.692  -1.576   6.874
  204   1HB   ASN  26          2HB       ASN  26   0.366   0.143   5.876
  205   2HB   ASN  26          3HB       ASN  26   0.394  -1.596   6.103
  206   1HD2  ASN  26          2HD2      ASN  26  -1.173  -1.273   9.211
  207   2HD2  ASN  26          1HD2      ASN  26  -1.004  -2.145   7.697
  208    QB   ASN  26           QB       ASN  26   0.380  -0.726   5.990
  209    QD2  ASN  26           QD2      ASN  26  -1.089  -1.709   8.454
  210    H    LYS  27           HN       LYS  27   2.562  -2.524   4.653
  211    HA   LYS  27           HA       LYS  27   2.875  -0.691   2.418
  212   1HB   LYS  27          2HB       LYS  27   4.872  -1.522   1.691
  213   2HB   LYS  27          3HB       LYS  27   5.178  -1.384   3.414
  214   1HG   LYS  27          2HG       LYS  27   4.181  -3.919   3.207
  215   2HG   LYS  27          3HG       LYS  27   4.971  -3.767   1.629
  216   1HD   LYS  27          2HD       LYS  27   7.136  -3.565   2.697
  217   2HD   LYS  27          3HD       LYS  27   6.380  -3.104   4.240
  218   1HE   LYS  27          2HE       LYS  27   5.277  -5.428   4.259
  219   2HE   LYS  27          3HE       LYS  27   6.409  -5.902   2.990
  220   1HZ   LYS  27          2HZ       LYS  27   7.356  -4.679   5.474
  221   2HZ   LYS  27          3HZ       LYS  27   6.837  -6.227   5.509
  222   3HZ   LYS  27          1HZ       LYS  27   8.104  -5.818   4.533
  223    QB   LYS  27           QB       LYS  27   5.025  -1.453   2.552
  224    QG   LYS  27           QG       LYS  27   4.576  -3.843   2.418
  225    QD   LYS  27           QD       LYS  27   6.758  -3.334   3.468
  226    QE   LYS  27           QE       LYS  27   5.843  -5.665   3.624
  227    QZ   LYS  27           QZ       LYS  27   7.432  -5.575   5.172
  228    H    CYS  28           HN       CYS  28   2.374  -1.694   0.452
  229    HA   CYS  28           HA       CYS  28   0.477  -3.940   0.615
  230   1HB   CYS  28          2HB       CYS  28  -0.328  -1.791  -0.316
  231   2HB   CYS  28          3HB       CYS  28   0.953  -1.893  -1.537
  232    QB   CYS  28           QB       CYS  28   0.312  -1.842  -0.927
  233    H    ILE  29           HN       ILE  29   1.021  -5.843  -0.289
  234    HA   ILE  29           HA       ILE  29   3.398  -5.934  -2.169
  235    HB   ILE  29           HB       ILE  29   2.064  -8.110  -0.544
  236   1HG1  ILE  29          2HG1      ILE  29   3.262  -6.747   1.001
  237   2HG1  ILE  29          3HG1      ILE  29   4.229  -8.184   0.691
  238   1HG2  ILE  29          3HG2      ILE  29   2.984  -8.980  -2.636
  239   2HG2  ILE  29          1HG2      ILE  29   4.570  -8.288  -2.262
  240   3HG2  ILE  29          2HG2      ILE  29   3.882  -9.561  -1.236
  241   1HD1  ILE  29          2HD1      ILE  29   5.486  -6.652  -1.074
  242   2HD1  ILE  29          3HD1      ILE  29   4.727  -5.333  -0.165
  243   3HD1  ILE  29          1HD1      ILE  29   5.813  -6.464   0.652
  244    QG1  ILE  29           QG1      ILE  29   3.745  -7.466   0.846
  245    QG2  ILE  29           QG2      ILE  29   3.812  -8.943  -2.045
  246    QD1  ILE  29           QD1      ILE  29   5.342  -6.150  -0.195
  247    H    LEU  30           HN       LEU  30   2.701  -5.681  -4.238
  248    HA   LEU  30           HA       LEU  30  -0.048  -6.184  -5.078
  249   1HB   LEU  30          2HB       LEU  30   2.517  -5.331  -6.493
  250   2HB   LEU  30          3HB       LEU  30   1.024  -5.670  -7.358
  251    HG   LEU  30           HG       LEU  30   1.347  -3.498  -5.260
  252   1HD1  LEU  30          3HD1      LEU  30   2.474  -3.237  -7.542
  253   2HD1  LEU  30          1HD1      LEU  30   0.862  -3.329  -8.272
  254   3HD1  LEU  30          2HD1      LEU  30   1.243  -2.032  -7.122
  255   1HD2  LEU  30          1HD2      LEU  30  -0.990  -4.543  -6.911
  256   2HD2  LEU  30          2HD2      LEU  30  -0.959  -4.139  -5.171
  257   3HD2  LEU  30          3HD2      LEU  30  -0.954  -2.860  -6.394
  258    QB   LEU  30           QB       LEU  30   1.770  -5.501  -6.926
  259    QD1  LEU  30           QD1      LEU  30   1.526  -2.866  -7.646
  260    QD2  LEU  30           QD2      LEU  30  -0.968  -3.847  -6.159
  261    QQD  LEU  30           QQD      LEU  30   0.279  -3.357  -6.902
  262    H    GLY  31           HN       GLY  31   0.120  -8.412  -4.242
  263   1HA   GLY  31          1HA       GLY  31  -0.218 -10.543  -4.938
  264   2HA   GLY  31          2HA       GLY  31   0.517 -10.249  -6.526
  265    QA   GLY  31           QA       GLY  31   0.149 -10.396  -5.732
  266    H    SER  32           HN       SER  32   1.063 -12.447  -4.592
  267    HA   SER  32           HA       SER  32   4.022 -12.009  -4.261
  268   1HB   SER  32          2HB       SER  32   2.390 -12.059  -2.113
  269   2HB   SER  32          3HB       SER  32   2.621 -13.805  -2.308
  270    HG   SER  32           HG       SER  32   4.290 -13.072  -1.068
  271    QB   SER  32           QB       SER  32   2.505 -12.932  -2.210
  272    H    ASN  33           HN       ASP  33   3.525 -12.845  -6.552
  273    HA   ASN  33           HA       ASP  33   3.409 -14.466  -8.128
  274   1HB   ASN  33          2HB       ASP  33   5.179 -15.955  -6.162
  275   2HB   ASN  33          3HB       ASP  33   5.188 -16.077  -7.925
  276    QB   ASN  33           QB       ASP  33   5.184 -16.016  -7.043
  277    H    GLY  34           HN       GLY  34   1.219 -14.671  -6.165
  278   1HA   GLY  34          1HA       GLY  34  -0.008 -17.181  -6.604
  279   2HA   GLY  34          2HA       GLY  34   0.965 -17.283  -5.118
  280    QA   GLY  34           QA       GLY  34   0.479 -17.232  -5.861
  281    H    GLU  35           HN       GLU  35   0.561 -15.517  -3.387
  282    HA   GLU  35           HA       GLU  35  -2.179 -14.946  -3.021
  283   1HB   GLU  35          2HB       GLU  35   0.360 -13.737  -1.866
  284   2HB   GLU  35          3HB       GLU  35  -1.227 -13.129  -1.434
  285   1HG   GLU  35          2HG       GLU  35  -0.540 -14.782   0.218
  286   2HG   GLU  35          3HG       GLU  35  -1.927 -15.400  -0.693
  287    QB   GLU  35           QB       GLU  35  -0.434 -13.433  -1.650
  288    QG   GLU  35           QG       GLU  35  -1.234 -15.091  -0.237
  289    H    LYS  36           HN       LYS  36  -3.150 -12.899  -2.912
  290    HA   LYS  36           HA       LYS  36  -2.770 -11.193  -5.277
  291   1HB   LYS  36          2HB       LYS  36  -5.071 -11.264  -3.271
  292   2HB   LYS  36          3HB       LYS  36  -5.017 -10.440  -4.828
  293   1HG   LYS  36          2HG       LYS  36  -4.533 -12.973  -5.696
  294   2HG   LYS  36          3HG       LYS  36  -5.362 -13.357  -4.190
  295   1HD   LYS  36          2HD       LYS  36  -7.190 -13.224  -5.615
  296   2HD   LYS  36          3HD       LYS  36  -7.127 -11.557  -5.029
  297   1HE   LYS  36          2HE       LYS  36  -5.456 -11.295  -7.168
  298   2HE   LYS  36          3HE       LYS  36  -6.311 -12.746  -7.706
  299   1HZ   LYS  36          3HZ       LYS  36  -8.385 -11.432  -7.396
  300   2HZ   LYS  36          1HZ       LYS  36  -7.452 -10.101  -7.117
  301   3HZ   LYS  36          2HZ       LYS  36  -7.383 -10.861  -8.570
  302    QB   LYS  36           QB       LYS  36  -5.044 -10.852  -4.050
  303    QG   LYS  36           QG       LYS  36  -4.948 -13.165  -4.943
  304    QD   LYS  36           QD       LYS  36  -7.158 -12.390  -5.322
  305    QE   LYS  36           QE       LYS  36  -5.884 -12.021  -7.437
  306    QZ   LYS  36           QZ       LYS  36  -7.740 -10.798  -7.694
  307    H    ASN  37           HN       ASN  37  -3.447  -8.834  -4.741
  308    HA   ASN  37           HA       ASN  37  -1.661  -7.367  -3.337
  309   1HB   ASN  37          2HB       ASN  37  -4.570  -6.579  -3.551
  310   2HB   ASN  37          3HB       ASN  37  -3.152  -5.542  -3.398
  311   1HD2  ASN  37          2HD2      ASN  37  -3.300  -5.136  -6.905
  312   2HD2  ASN  37          1HD2      ASN  37  -3.369  -4.367  -5.334
  313    QB   ASN  37           QB       ASN  37  -3.861  -6.060  -3.475
  314    QD2  ASN  37           QD2      ASN  37  -3.334  -4.752  -6.119
  315    H    GLN  38           HN       GLN  38  -1.067  -7.489  -1.204
  316    HA   GLN  38           HA       GLN  38  -3.197  -7.597   0.905
  317   1HB   GLN  38          2HB       GLN  38  -1.822  -9.043   2.232
  318   2HB   GLN  38          3HB       GLN  38  -2.077  -9.764   0.631
  319   1HG   GLN  38          2HG       GLN  38   0.132  -9.171  -0.100
  320   2HG   GLN  38          3HG       GLN  38   0.494  -8.375   1.444
  321   1HE2  GLN  38          2HE2      GLN  38   1.580 -12.090   1.260
  322   2HE2  GLN  38          1HE2      GLN  38   1.531 -10.929  -0.057
  323    QB   GLN  38           QB       GLN  38  -1.949  -9.403   1.432
  324    QG   GLN  38           QG       GLN  38   0.313  -8.773   0.672
  325    QE2  GLN  38           QE2      GLN  38   1.556 -11.509   0.601
  326    H    CYS  39           HN       CYS  39  -2.997  -6.047   2.535
  327    HA   CYS  39           HA       CYS  39  -0.588  -4.288   2.382
  328   1HB   CYS  39          2HB       CYS  39  -2.594  -3.010   2.156
  329   2HB   CYS  39          3HB       CYS  39  -3.387  -3.900   3.463
  330    QB   CYS  39           QB       CYS  39  -2.991  -3.455   2.810
  331    H    VAL  40           HN       VAL  40   0.953  -5.019   3.775
  332    HA   VAL  40           HA       VAL  40   0.070  -6.152   6.413
  333    HB   VAL  40           HB       VAL  40   1.819  -7.655   6.441
  334   1HG1  VAL  40          3HG1      VAL  40  -0.098  -7.993   4.604
  335   2HG1  VAL  40          1HG1      VAL  40   1.291  -7.876   3.502
  336   3HG1  VAL  40          2HG1      VAL  40   1.262  -9.123   4.763
  337   1HG2  VAL  40          3HG2      VAL  40   3.025  -6.239   4.031
  338   2HG2  VAL  40          1HG2      VAL  40   3.704  -6.386   5.673
  339   3HG2  VAL  40          2HG2      VAL  40   3.577  -7.814   4.651
  340    QG1  VAL  40           QG1      VAL  40   0.818  -8.331   4.290
  341    QG2  VAL  40           QG2      VAL  40   3.435  -6.813   4.785
  342    QQG  VAL  40           QQG      VAL  40   2.127  -7.572   4.538
  343    H    THR  41           HN       THR  41   1.960  -5.885   8.078
  344    HA   THR  41           HA       THR  41   2.364  -3.072   8.360
  345    HB   THR  41           HB       THR  41   2.051  -4.537  10.257
  346    HG1  THR  41          1HG       THR  41   3.557  -3.511  11.515
  347   1HG2  THR  41          3HG2      THR  41   4.467  -5.918   9.164
  348   2HG2  THR  41          1HG2      THR  41   4.516  -5.598  10.900
  349   3HG2  THR  41          2HG2      THR  41   3.174  -6.524  10.207
  350    QG2  THR  41           QG2      THR  41   4.052  -6.013  10.090
  351    H    GLY  42           HN       GLY  42   4.635  -2.316   9.039
  352   1HA   GLY  42          1HA       GLY  42   7.016  -2.259   8.681
  353   2HA   GLY  42          2HA       GLY  42   6.836  -3.215   7.198
  354    QA   GLY  42           QA       GLY  42   6.926  -2.737   7.940
  355    H    GLU  43           HN       GLU  43   7.569  -0.173   8.129
  356    HA   GLU  43           HA       GLU  43   5.908   1.497   6.579
  357   1HB   GLU  43          2HB       GLU  43   7.886   3.028   6.602
  358   2HB   GLU  43          3HB       GLU  43   7.413   2.443   8.194
  359   1HG   GLU  43          2HG       GLU  43   9.435   1.536   8.581
  360   2HG   GLU  43          3HG       GLU  43   9.455   0.670   7.039
  361    QB   GLU  43           QB       GLU  43   7.650   2.735   7.398
  362    QG   GLU  43           QG       GLU  43   9.445   1.103   7.810
  363    H    GLY  44           HN       GLY  44   5.835   1.970   4.430
  364   1HA   GLY  44          1HA       GLY  44   7.679   0.566   2.540
  365   2HA   GLY  44          2HA       GLY  44   5.925   0.687   2.288
  366    QA   GLY  44           QA       GLY  44   6.802   0.627   2.414
  367    H    THR  45           HN       THR  45   7.648   1.735   0.398
  368    HA   THR  45           HA       THR  45   8.046   4.567   0.930
  369    HB   THR  45           HB       THR  45   9.489   3.026  -0.519
  370    HG1  THR  45          1HG       THR  45   9.837   5.214  -0.399
  371   1HG2  THR  45          1HG2      THR  45   7.712   2.148  -2.019
  372   2HG2  THR  45          2HG2      THR  45   7.513   3.798  -2.690
  373   3HG2  THR  45          3HG2      THR  45   9.040   2.938  -2.886
  374    QG2  THR  45           QG2      THR  45   8.088   2.961  -2.532
  375    HA   PRO  46           HA       PRO  46   3.917   5.624  -0.467
  376   1HB   PRO  46          2HB       PRO  46   4.167   8.282  -1.125
  377   2HB   PRO  46          3HB       PRO  46   4.156   7.652   0.547
  378   1HG   PRO  46          2HG       PRO  46   6.499   8.558  -1.097
  379   2HG   PRO  46          3HG       PRO  46   6.231   8.708   0.662
  380   1HD   PRO  46          2HD       PRO  46   7.802   6.770  -0.621
  381   2HD   PRO  46          3HD       PRO  46   7.174   6.643   1.049
  382    QB   PRO  46           QB       PRO  46   4.161   7.967  -0.289
  383    QG   PRO  46           QG       PRO  46   6.365   8.633  -0.217
  384    QD   PRO  46           QD       PRO  46   7.488   6.707   0.214
  385    H    LYS  47           HN       LYS  47   2.629   6.073  -2.325
  386    HA   LYS  47           HA       LYS  47   3.712   5.236  -4.794
  387   1HB   LYS  47          2HB       LYS  47   1.500   4.775  -4.617
  388   2HB   LYS  47          3HB       LYS  47   1.069   6.328  -3.907
  389   1HG   LYS  47          2HG       LYS  47   0.967   7.431  -5.953
  390   2HG   LYS  47          3HG       LYS  47   2.045   6.285  -6.759
  391   1HD   LYS  47          2HD       LYS  47   0.380   4.531  -6.693
  392   2HD   LYS  47          3HD       LYS  47  -0.821   5.617  -5.991
  393   1HE   LYS  47          2HE       LYS  47   0.652   6.334  -8.585
  394   2HE   LYS  47          3HE       LYS  47  -0.699   5.199  -8.632
  395   1HZ   LYS  47          1HZ       LYS  47  -0.949   7.883  -7.509
  396   2HZ   LYS  47          2HZ       LYS  47  -1.285   7.495  -9.071
  397   3HZ   LYS  47          3HZ       LYS  47  -2.171   6.805  -7.846
  398    QB   LYS  47           QB       LYS  47   1.284   5.551  -4.262
  399    QG   LYS  47           QG       LYS  47   1.506   6.858  -6.356
  400    QD   LYS  47           QD       LYS  47  -0.220   5.074  -6.342
  401    QE   LYS  47           QE       LYS  47  -0.024   5.766  -8.609
  402    QZ   LYS  47           QZ       LYS  47  -1.468   7.394  -8.142
  403    HA   PRO  48           HA       PRO  48   5.412   9.095  -6.284
  404   1HB   PRO  48          2HB       PRO  48   5.711   8.414  -8.962
  405   2HB   PRO  48          3HB       PRO  48   6.860   8.014  -7.658
  406   1HG   PRO  48          2HG       PRO  48   4.818   6.235  -8.934
  407   2HG   PRO  48          3HG       PRO  48   6.447   5.822  -8.348
  408   1HD   PRO  48          2HD       PRO  48   4.118   5.301  -6.987
  409   2HD   PRO  48          3HD       PRO  48   5.695   5.543  -6.182
  410    QB   PRO  48           QB       PRO  48   6.285   8.214  -8.310
  411    QG   PRO  48           QG       PRO  48   5.632   6.029  -8.641
  412    QD   PRO  48           QD       PRO  48   4.906   5.422  -6.585
  413    H    GLN  49           HN       GLN  49   4.279  10.898  -6.854
  414    HA   GLN  49           HA       GLN  49   1.544  10.964  -7.321
  415   1HB   GLN  49          2HB       GLN  49   1.857  13.269  -7.616
  416   2HB   GLN  49          3HB       GLN  49   3.224  12.805  -6.611
  417   1HG   GLN  49          2HG       GLN  49   4.541  12.579  -8.843
  418   2HG   GLN  49          3HG       GLN  49   3.207  13.467  -9.598
  419   1HE2  GLN  49          2HE2      GLN  49   4.326  16.578  -8.290
  420   2HE2  GLN  49          1HE2      GLN  49   3.069  15.747  -9.189
  421    QB   GLN  49           QB       GLN  49   2.540  13.037  -7.114
  422    QG   GLN  49           QG       GLN  49   3.874  13.023  -9.221
  423    QE2  GLN  49           QE2      GLN  49   3.698  16.163  -8.739
  424    H    SER  50           HN       SER  50   0.284  11.221  -9.201
  425    HA   SER  50           HA       SER  50  -0.380  10.839 -11.309
  426   1HB   SER  50          2HB       SER  50   2.465  11.250 -12.325
  427   2HB   SER  50          3HB       SER  50   0.941  11.388 -13.200
  428    HG   SER  50           HG       SER  50   2.183  13.196 -11.595
  429    QB   SER  50           QB       SER  50   1.703  11.319 -12.762
  430    H    HIS  51           HN       HIS  51   2.959   9.281 -11.336
  431    HA   HIS  51           HA       HIS  51   1.815   6.690 -11.224
  432   1HB   HIS  51          2HB       HIS  51   1.505   7.641 -13.747
  433   2HB   HIS  51          3HB       HIS  51   3.213   7.198 -13.858
  434    HD1  HIS  51           HD1      HIS  51   3.078   4.593 -12.074
  435    HD2  HIS  51           HD2      HIS  51   0.242   5.723 -14.960
  436    HE1  HIS  51           HE1      HIS  51   1.664   2.476 -12.616
  437    QB   HIS  51           QB       HIS  51   2.359   7.419 -13.802
   
  Start of MODEL          15
 Raw file had 437 H/Q atoms
  Start of MODEL   15
    1    H    VAL   1           HN       VAL   1 -10.860  11.493   1.034
    2    HA   VAL   1           HA       VAL   1  -8.339  12.904   0.367
    3    HB   VAL   1           HB       VAL   1  -7.223  10.762   1.228
    4   1HG1  VAL   1          3HG1      VAL   1  -8.435  12.951   2.904
    5   2HG1  VAL   1          1HG1      VAL   1  -7.635  11.603   3.725
    6   3HG1  VAL   1          2HG1      VAL   1  -6.741  12.573   2.548
    7   1HG2  VAL   1          3HG2      VAL   1  -9.213   9.306   1.465
    8   2HG2  VAL   1          1HG2      VAL   1  -8.369   9.518   2.997
    9   3HG2  VAL   1          2HG2      VAL   1  -9.871  10.391   2.713
   10    QG1  VAL   1           QG1      VAL   1  -7.604  12.376   3.059
   11    QG2  VAL   1           QG2      VAL   1  -9.151   9.738   2.391
   12    QQG  VAL   1           QQG      VAL   1  -8.377  11.057   2.725
   13    H    VAL   2           HN       VAL   2  -7.683  12.488  -1.725
   14    HA   VAL   2           HA       VAL   2  -9.243  10.530  -3.296
   15    HB   VAL   2           HB       VAL   2  -7.237  12.695  -4.031
   16   1HG1  VAL   2          3HG1      VAL   2  -8.678  10.658  -5.788
   17   2HG1  VAL   2          1HG1      VAL   2  -7.941  12.152  -6.401
   18   3HG1  VAL   2          2HG1      VAL   2  -6.925  10.918  -5.649
   19   1HG2  VAL   2          3HG2      VAL   2  -9.544  13.450  -3.364
   20   2HG2  VAL   2          1HG2      VAL   2  -9.191  13.755  -5.070
   21   3HG2  VAL   2          2HG2      VAL   2 -10.221  12.385  -4.613
   22    QG1  VAL   2           QG1      VAL   2  -7.848  11.243  -5.946
   23    QG2  VAL   2           QG2      VAL   2  -9.652  13.197  -4.349
   24    QQG  VAL   2           QQG      VAL   2  -8.750  12.220  -5.147
   25    OH   TYR   3           OH       TYR   3  -4.190   8.814   2.653
   26    H    TYR   3           HN       TYR   3  -8.514   8.486  -3.327
   27    HA   TYR   3           HA       TYR   3  -5.592   7.948  -3.307
   28   1HB   TYR   3          2HB       TYR   3  -7.833   6.570  -1.765
   29   2HB   TYR   3          3HB       TYR   3  -6.294   5.780  -2.122
   30    HD1  TYR   3           HD2      TYR   3  -4.140   7.353  -1.643
   31    HD2  TYR   3           HD1      TYR   3  -7.860   7.186   0.536
   32    HE1  TYR   3           HE2      TYR   3  -3.042   8.368   0.287
   33    HE2  TYR   3           HE1      TYR   3  -6.676   7.987   2.571
   34    HH   TYR   3           HH       TYR   3  -3.289   9.090   2.475
   35    QB   TYR   3           QB       TYR   3  -7.064   6.175  -1.944
   36    QR   TYR   3           QR       TYR   3  -5.429   7.724   0.438
   37    H    THR   4           HN       THR   4  -5.082   5.857  -4.276
   38    HA   THR   4           HA       THR   4  -6.967   4.768  -6.237
   39    HB   THR   4           HB       THR   4  -5.204   5.098  -8.027
   40    HG1  THR   4          1HG       THR   4  -3.516   5.625  -6.466
   41   1HG2  THR   4          2HG2      THR   4  -7.222   6.622  -7.827
   42   2HG2  THR   4          3HG2      THR   4  -6.190   7.772  -6.952
   43   3HG2  THR   4          1HG2      THR   4  -5.810   7.342  -8.625
   44    QG2  THR   4           QG2      THR   4  -6.407   7.245  -7.801
   45    H    ASP   5           HN       ASP   5  -5.920   2.793  -7.249
   46    HA   ASP   5           HA       ASP   5  -4.865   1.167  -5.223
   47   1HB   ASP   5          2HB       ASP   5  -5.091   0.816  -8.230
   48   2HB   ASP   5          3HB       ASP   5  -4.490  -0.456  -7.163
   49    QB   ASP   5           QB       ASP   5  -4.790   0.180  -7.697
   50    H    CYS   6           HN       CYS   6  -2.954  -0.042  -5.125
   51    HA   CYS   6           HA       CYS   6  -0.502   1.378  -5.977
   52   1HB   CYS   6          2HB       CYS   6  -1.080  -0.805  -4.040
   53   2HB   CYS   6          3HB       CYS   6   0.386  -1.003  -5.004
   54    QB   CYS   6           QB       CYS   6  -0.347  -0.904  -4.522
   55    H    THR   7           HN       THR   7   1.145   0.443  -7.222
   56    HA   THR   7           HA       THR   7   0.336  -1.672  -9.155
   57    HB   THR   7           HB       THR   7   1.170  -0.345 -10.997
   58    HG1  THR   7          1HG       THR   7   2.687   0.900 -10.011
   59   1HG2  THR   7          2HG2      THR   7  -1.217  -0.069 -10.431
   60   2HG2  THR   7          3HG2      THR   7  -0.836   1.336  -9.430
   61   3HG2  THR   7          1HG2      THR   7  -0.521   1.381 -11.172
   62    QG2  THR   7           QG2      THR   7  -0.858   0.883 -10.344
   63    H    GLU   8           HN       GLU   8   2.242  -1.571  -6.716
   64    HA   GLU   8           HA       GLU   8   4.220  -3.199  -7.897
   65   1HB   GLU   8          2HB       GLU   8   6.221  -1.924  -7.324
   66   2HB   GLU   8          3HB       GLU   8   5.334  -1.103  -8.594
   67   1HG   GLU   8          2HG       GLU   8   4.910   0.736  -7.293
   68   2HG   GLU   8          3HG       GLU   8   4.657  -0.202  -5.816
   69    QB   GLU   8           QB       GLU   8   5.778  -1.514  -7.959
   70    QG   GLU   8           QG       GLU   8   4.784   0.267  -6.555
   71    H    SER   9           HN       SER   9   5.653  -4.114  -6.185
   72    HA   SER   9           HA       SER   9   4.220  -4.287  -3.650
   73   1HB   SER   9          2HB       SER   9   6.533  -5.783  -4.905
   74   2HB   SER   9          3HB       SER   9   6.208  -5.925  -3.175
   75    HG   SER   9           HG       SER   9   5.066  -7.476  -4.579
   76    QB   SER   9           QB       SER   9   6.370  -5.854  -4.040
   77    H    GLY  10           HN       GLY  10   4.961  -3.701  -1.667
   78   1HA   GLY  10          1HA       GLY  10   6.571  -3.129  -0.083
   79   2HA   GLY  10          2HA       GLY  10   7.752  -2.731  -1.328
   80    QA   GLY  10           QA       GLY  10   7.161  -2.930  -0.705
   81    H    GLN  11           HN       GLN  11   4.411  -1.524  -1.354
   82    HA   GLN  11           HA       GLN  11   5.505   1.196  -1.014
   83   1HB   GLN  11          2HB       GLN  11   4.746  -0.064  -3.389
   84   2HB   GLN  11          3HB       GLN  11   3.208   0.578  -2.821
   85   1HG   GLN  11          2HG       GLN  11   5.179   2.701  -2.783
   86   2HG   GLN  11          3HG       GLN  11   5.245   1.899  -4.322
   87   1HE2  GLN  11          2HE2      GLN  11   2.082   2.930  -5.453
   88   2HE2  GLN  11          1HE2      GLN  11   3.554   1.995  -5.762
   89    QB   GLN  11           QB       GLN  11   3.977   0.257  -3.105
   90    QG   GLN  11           QG       GLN  11   5.212   2.300  -3.552
   91    QE2  GLN  11           QE2      GLN  11   2.818   2.463  -5.607
   92    H    ASN  12           HN       ASN  12   3.752   2.917  -0.584
   93    HA   ASN  12           HA       ASN  12   1.507   1.708   0.990
   94   1HB   ASN  12          2HB       ASN  12   2.068   2.628   3.046
   95   2HB   ASN  12          3HB       ASN  12   3.549   1.872   2.459
   96   1HD2  ASN  12          2HD2      ASN  12   4.479   5.144   3.918
   97   2HD2  ASN  12          1HD2      ASN  12   3.696   3.693   4.522
   98    QB   ASN  12           QB       ASN  12   2.809   2.250   2.752
   99    QD2  ASN  12           QD2      ASN  12   4.087   4.419   4.220
  100    H    LEU  13           HN       LEU  13   0.234   3.620   2.150
  101    HA   LEU  13           HA       LEU  13  -1.076   5.448   1.816
  102   1HB   LEU  13          2HB       LEU  13   1.648   6.211   1.170
  103   2HB   LEU  13          3HB       LEU  13   0.609   7.102   0.090
  104    HG   LEU  13           HG       LEU  13   1.195   8.313   2.106
  105   1HD1  LEU  13          1HD1      LEU  13  -0.965   8.808   1.073
  106   2HD1  LEU  13          2HD1      LEU  13  -1.757   7.596   2.123
  107   3HD1  LEU  13          3HD1      LEU  13  -1.017   9.047   2.832
  108   1HD2  LEU  13          2HD2      LEU  13   1.388   6.298   3.586
  109   2HD2  LEU  13          3HD2      LEU  13   0.525   7.696   4.284
  110   3HD2  LEU  13          1HD2      LEU  13  -0.384   6.277   3.737
  111    QB   LEU  13           QB       LEU  13   1.129   6.657   0.630
  112    QD1  LEU  13           QD1      LEU  13  -1.246   8.483   2.009
  113    QD2  LEU  13           QD2      LEU  13   0.510   6.757   3.869
  114    QQD  LEU  13           QQD      LEU  13  -0.368   7.620   2.939
  115    H    CYS  14           HN       CYS  14  -1.540   3.289   0.132
  116    HA   CYS  14           HA       CYS  14  -2.885   4.531  -2.180
  117   1HB   CYS  14          2HB       CYS  14  -1.915   2.895  -3.723
  118   2HB   CYS  14          3HB       CYS  14  -0.600   3.784  -2.961
  119    QB   CYS  14           QB       CYS  14  -1.258   3.339  -3.342
  120    H    LEU  15           HN       LEU  15  -4.367   2.891  -3.115
  121    HA   LEU  15           HA       LEU  15  -5.711   1.379  -0.964
  122   1HB   LEU  15          2HB       LEU  15  -6.483   1.536  -3.895
  123   2HB   LEU  15          3HB       LEU  15  -7.469   1.016  -2.537
  124    HG   LEU  15           HG       LEU  15  -6.376   3.814  -2.990
  125   1HD1  LEU  15          3HD1      LEU  15  -8.214   3.175  -4.522
  126   2HD1  LEU  15          1HD1      LEU  15  -9.253   2.907  -3.102
  127   3HD1  LEU  15          2HD1      LEU  15  -8.603   4.522  -3.437
  128   1HD2  LEU  15          1HD2      LEU  15  -7.999   2.591  -0.739
  129   2HD2  LEU  15          2HD2      LEU  15  -6.527   3.577  -0.627
  130   3HD2  LEU  15          3HD2      LEU  15  -8.066   4.330  -1.067
  131    QB   LEU  15           QB       LEU  15  -6.976   1.276  -3.216
  132    QD1  LEU  15           QD1      LEU  15  -8.690   3.534  -3.687
  133    QD2  LEU  15           QD2      LEU  15  -7.531   3.499  -0.811
  134    QQD  LEU  15           QQD      LEU  15  -8.111   3.517  -2.249
  135    H    CYS  16           HN       CYS  16  -5.560  -0.711  -0.565
  136    HA   CYS  16           HA       CYS  16  -3.884  -2.399  -2.429
  137   1HB   CYS  16          2HB       CYS  16  -2.590  -1.559  -0.437
  138   2HB   CYS  16          3HB       CYS  16  -3.752  -2.392   0.594
  139    QB   CYS  16           QB       CYS  16  -3.171  -1.975   0.078
  140    H    GLU  17           HN       GLU  17  -5.838  -2.609   0.554
  141    HA   GLU  17           HA       GLU  17  -7.297  -4.959  -0.558
  142   1HB   GLU  17          2HB       GLU  17  -6.786  -3.919   2.219
  143   2HB   GLU  17          3HB       GLU  17  -8.317  -4.731   1.884
  144   1HG   GLU  17          2HG       GLU  17  -6.864  -6.424   2.643
  145   2HG   GLU  17          3HG       GLU  17  -7.033  -6.675   0.905
  146    QB   GLU  17           QB       GLU  17  -7.552  -4.325   2.051
  147    QG   GLU  17           QG       GLU  17  -6.949  -6.550   1.774
  148    H    ASP  18           HN       GLY  18  -8.617  -4.013  -2.077
  149   1HA   ASP  18          1HA       GLY  18 -10.588  -3.046  -2.810
  150   2HA   ASP  18          2HA       GLY  18 -11.128  -3.064  -1.118
  151    QA   ASP  18           QA       GLY  18 -10.858  -3.055  -1.964
  152    H    SER  19           HN       SER  19 -11.898  -0.980  -0.789
  153    HA   SER  19           HA       SER  19 -10.434   1.321  -1.897
  154   1HB   SER  19          2HB       SER  19 -12.958   1.161  -1.874
  155   2HB   SER  19          3HB       SER  19 -12.865   1.305  -0.100
  156    HG   SER  19           HG       SER  19 -11.629   3.276  -0.542
  157    QB   SER  19           QB       SER  19 -12.912   1.233  -0.987
  158    H    ASN  20           HN       ASN  20  -9.547  -0.551   0.611
  159    HA   ASN  20           HA       ASN  20  -9.317   1.559   2.663
  160   1HB   ASN  20          2HB       ASN  20  -8.325  -1.297   2.786
  161   2HB   ASN  20          3HB       ASN  20  -8.497  -0.140   4.096
  162   1HD2  ASN  20          2HD2      ASN  20 -11.778  -2.233   2.796
  163   2HD2  ASN  20          1HD2      ASN  20 -10.245  -2.293   1.920
  164    QB   ASN  20           QB       ASN  20  -8.411  -0.719   3.441
  165    QD2  ASN  20           QD2      ASN  20 -11.012  -2.263   2.358
  166    H    VAL  21           HN       VAL  21  -7.533   2.789   2.801
  167    HA   VAL  21           HA       VAL  21  -5.327   2.374   0.986
  168    HB   VAL  21           HB       VAL  21  -6.186   4.611   1.509
  169   1HG1  VAL  21          2HG1      VAL  21  -5.507   3.945   4.335
  170   2HG1  VAL  21          3HG1      VAL  21  -5.007   5.539   3.769
  171   3HG1  VAL  21          1HG1      VAL  21  -6.701   5.049   3.645
  172   1HG2  VAL  21          3HG2      VAL  21  -3.254   4.077   2.052
  173   2HG2  VAL  21          1HG2      VAL  21  -4.076   4.456   0.519
  174   3HG2  VAL  21          2HG2      VAL  21  -3.940   5.680   1.773
  175    QG1  VAL  21           QG1      VAL  21  -5.738   4.844   3.916
  176    QG2  VAL  21           QG2      VAL  21  -3.757   4.738   1.448
  177    QQG  VAL  21           QQG      VAL  21  -4.748   4.791   2.682
  178    H    CYS  22           HN       CYS  22  -3.276   1.592   1.414
  179    HA   CYS  22           HA       CYS  22  -2.885   0.107   3.888
  180   1HB   CYS  22          2HB       CYS  22  -2.036  -0.622   1.647
  181   2HB   CYS  22          3HB       CYS  22  -0.825   0.662   1.735
  182    QB   CYS  22           QB       CYS  22  -1.430   0.020   1.691
  183    H    GLY  23           HN       GLY  23  -3.072   1.613   5.444
  184   1HA   GLY  23          1HA       GLY  23  -2.142   4.130   5.791
  185   2HA   GLY  23          2HA       GLY  23  -2.294   2.961   7.108
  186    QA   GLY  23           QA       GLY  23  -2.218   3.546   6.449
  187    H    GLN  24           HN       GLN  24  -0.374   5.129   6.986
  188    HA   GLN  24           HA       GLN  24   2.182   4.278   6.316
  189   1HB   GLN  24          2HB       GLN  24   1.337   6.115   8.599
  190   2HB   GLN  24          3HB       GLN  24   2.989   5.922   7.984
  191   1HG   GLN  24          2HG       GLN  24   2.164   6.581   5.708
  192   2HG   GLN  24          3HG       GLN  24   0.585   6.960   6.438
  193   1HE2  GLN  24          2HE2      GLN  24   1.753  10.254   6.965
  194   2HE2  GLN  24          1HE2      GLN  24   0.456   9.216   6.398
  195    QB   GLN  24           QB       GLN  24   2.163   6.019   8.291
  196    QG   GLN  24           QG       GLN  24   1.374   6.771   6.073
  197    QE2  GLN  24           QE2      GLN  24   1.105   9.735   6.682
  198    H    GLY  25           HN       GLY  25   3.902   3.328   7.528
  199   1HA   GLY  25          1HA       GLY  25   4.827   1.986   9.186
  200   2HA   GLY  25          2HA       GLY  25   3.258   1.804   9.983
  201    QA   GLY  25           QA       GLY  25   4.042   1.895   9.585
  202    H    ASN  26           HN       ASN  26   2.520   1.344   6.823
  203    HA   ASN  26           HA       ASN  26   3.012  -1.572   6.806
  204   1HB   ASN  26          2HB       ASN  26   0.521  -0.156   5.789
  205   2HB   ASN  26          3HB       ASN  26   0.766  -1.879   6.023
  206   1HD2  ASN  26          2HD2      ASN  26  -0.839  -1.695   9.141
  207   2HD2  ASN  26          1HD2      ASN  26  -0.585  -2.595   7.678
  208    QB   ASN  26           QB       ASN  26   0.644  -1.018   5.906
  209    QD2  ASN  26           QD2      ASN  26  -0.712  -2.145   8.409
  210    H    LYS  27           HN       LYS  27   2.749  -2.533   4.545
  211    HA   LYS  27           HA       LYS  27   3.051  -0.644   2.388
  212   1HB   LYS  27          2HB       LYS  27   5.100  -1.323   1.692
  213   2HB   LYS  27          3HB       LYS  27   5.381  -1.415   3.425
  214   1HG   LYS  27          2HG       LYS  27   4.575  -3.876   3.128
  215   2HG   LYS  27          3HG       LYS  27   4.934  -3.603   1.402
  216   1HD   LYS  27          2HD       LYS  27   7.299  -3.270   1.937
  217   2HD   LYS  27          3HD       LYS  27   6.960  -3.194   3.664
  218   1HE   LYS  27          2HE       LYS  27   6.587  -5.465   3.907
  219   2HE   LYS  27          3HE       LYS  27   6.028  -5.677   2.245
  220   1HZ   LYS  27          1HZ       LYS  27   8.845  -5.220   2.958
  221   2HZ   LYS  27          2HZ       LYS  27   8.169  -6.692   2.679
  222   3HZ   LYS  27          3HZ       LYS  27   8.241  -5.588   1.467
  223    QB   LYS  27           QB       LYS  27   5.241  -1.369   2.559
  224    QG   LYS  27           QG       LYS  27   4.755  -3.739   2.265
  225    QD   LYS  27           QD       LYS  27   7.129  -3.232   2.801
  226    QE   LYS  27           QE       LYS  27   6.307  -5.571   3.076
  227    QZ   LYS  27           QZ       LYS  27   8.419  -5.833   2.368
  228    H    CYS  28           HN       CYS  28   2.524  -1.694   0.367
  229    HA   CYS  28           HA       CYS  28   0.663  -3.984   0.636
  230   1HB   CYS  28          2HB       CYS  28  -0.072  -1.777  -0.356
  231   2HB   CYS  28          3HB       CYS  28   1.117  -2.032  -1.637
  232    QB   CYS  28           QB       CYS  28   0.523  -1.905  -0.996
  233    H    ILE  29           HN       ILE  29   1.286  -5.977  -0.185
  234    HA   ILE  29           HA       ILE  29   3.555  -5.983  -2.156
  235    HB   ILE  29           HB       ILE  29   2.635  -8.197  -0.380
  236   1HG1  ILE  29          2HG1      ILE  29   4.920  -6.230  -0.396
  237   2HG1  ILE  29          3HG1      ILE  29   3.909  -6.796   0.940
  238   1HG2  ILE  29          3HG2      ILE  29   3.251  -8.970  -2.687
  239   2HG2  ILE  29          1HG2      ILE  29   4.847  -8.228  -2.452
  240   3HG2  ILE  29          2HG2      ILE  29   4.308  -9.567  -1.425
  241   1HD1  ILE  29          2HD1      ILE  29   5.056  -9.041   0.726
  242   2HD1  ILE  29          3HD1      ILE  29   6.149  -8.292  -0.474
  243   3HD1  ILE  29          1HD1      ILE  29   6.126  -7.704   1.191
  244    QG1  ILE  29           QG1      ILE  29   4.415  -6.513   0.272
  245    QG2  ILE  29           QG2      ILE  29   4.135  -8.921  -2.188
  246    QD1  ILE  29           QD1      ILE  29   5.777  -8.346   0.481
  247    H    LEU  30           HN       LEU  30   2.954  -6.229  -4.210
  248    HA   LEU  30           HA       LEU  30   0.189  -6.913  -5.019
  249   1HB   LEU  30          2HB       LEU  30   2.715  -5.864  -6.249
  250   2HB   LEU  30          3HB       LEU  30   1.818  -6.976  -7.260
  251    HG   LEU  30           HG       LEU  30   1.321  -4.590  -7.646
  252   1HD1  LEU  30          2HD1      LEU  30  -0.340  -6.639  -7.941
  253   2HD1  LEU  30          3HD1      LEU  30  -1.280  -5.768  -6.717
  254   3HD1  LEU  30          1HD1      LEU  30  -0.852  -4.970  -8.241
  255   1HD2  LEU  30          3HD2      LEU  30   0.001  -4.629  -4.897
  256   2HD2  LEU  30          1HD2      LEU  30   1.398  -3.677  -5.384
  257   3HD2  LEU  30          2HD2      LEU  30  -0.183  -3.355  -6.115
  258    QB   LEU  30           QB       LEU  30   2.267  -6.420  -6.754
  259    QD1  LEU  30           QD1      LEU  30  -0.824  -5.792  -7.633
  260    QD2  LEU  30           QD2      LEU  30   0.405  -3.887  -5.465
  261    QQD  LEU  30           QQD      LEU  30  -0.209  -4.840  -6.549
  262    H    GLY  31           HN       GLY  31  -0.415  -9.013  -5.376
  263   1HA   GLY  31          1HA       GLY  31   0.889 -11.259  -4.480
  264   2HA   GLY  31          2HA       GLY  31  -0.327 -11.269  -5.768
  265    QA   GLY  31           QA       GLY  31   0.281 -11.264  -5.124
  266    H    SER  32           HN       SER  32   2.078 -13.138  -5.634
  267    HA   SER  32           HA       SER  32   3.594 -12.035  -8.012
  268   1HB   SER  32          2HB       SER  32   4.836 -11.475  -6.004
  269   2HB   SER  32          3HB       SER  32   4.760 -13.162  -5.457
  270    HG   SER  32           HG       SER  32   5.891 -13.699  -7.398
  271    QB   SER  32           QB       SER  32   4.798 -12.318  -5.730
  272    H    ASN  33           HN       ASP  33   1.518 -13.841  -8.206
  273    HA   ASN  33           HA       ASP  33   2.147 -16.428  -9.017
  274   1HB   ASN  33          2HB       ASP  33   1.957 -17.602  -6.753
  275   2HB   ASN  33          3HB       ASP  33   3.478 -16.821  -7.037
  276    QB   ASN  33           QB       ASP  33   2.717 -17.211  -6.895
  277    H    GLY  34           HN       GLY  34  -0.026 -14.452  -9.279
  278   1HA   GLY  34          1HA       GLY  34  -2.280 -14.646  -9.645
  279   2HA   GLY  34          2HA       GLY  34  -2.151 -16.358  -9.232
  280    QA   GLY  34           QA       GLY  34  -2.215 -15.502  -9.438
  281    H    GLU  35           HN       GLU  35  -1.076 -14.239  -6.750
  282    HA   GLU  35           HA       GLU  35  -3.487 -14.662  -5.115
  283   1HB   GLU  35          2HB       GLU  35  -0.632 -14.340  -4.660
  284   2HB   GLU  35          3HB       GLU  35  -1.458 -13.042  -3.833
  285   1HG   GLU  35          2HG       GLU  35  -1.235 -14.869  -2.321
  286   2HG   GLU  35          3HG       GLU  35  -2.946 -14.829  -2.758
  287    QB   GLU  35           QB       GLU  35  -1.045 -13.691  -4.247
  288    QG   GLU  35           QG       GLU  35  -2.090 -14.849  -2.540
  289    H    LYS  36           HN       LYS  36  -4.103 -12.712  -3.740
  290    HA   LYS  36           HA       LYS  36  -4.704 -10.415  -5.518
  291   1HB   LYS  36          2HB       LYS  36  -5.911 -11.126  -2.815
  292   2HB   LYS  36          3HB       LYS  36  -6.434  -9.888  -3.961
  293   1HG   LYS  36          2HG       LYS  36  -6.497 -12.009  -5.623
  294   2HG   LYS  36          3HG       LYS  36  -6.695 -12.885  -4.114
  295   1HD   LYS  36          2HD       LYS  36  -8.889 -12.429  -4.136
  296   2HD   LYS  36          3HD       LYS  36  -8.557 -10.697  -4.011
  297   1HE   LYS  36          2HE       LYS  36  -8.366 -10.513  -6.469
  298   2HE   LYS  36          3HE       LYS  36  -8.546 -12.269  -6.646
  299   1HZ   LYS  36          1HZ       LYS  36 -10.632 -10.477  -5.604
  300   2HZ   LYS  36          2HZ       LYS  36 -10.566 -11.110  -7.119
  301   3HZ   LYS  36          3HZ       LYS  36 -10.764 -12.106  -5.829
  302    QB   LYS  36           QB       LYS  36  -6.173 -10.507  -3.388
  303    QG   LYS  36           QG       LYS  36  -6.596 -12.447  -4.868
  304    QD   LYS  36           QD       LYS  36  -8.723 -11.563  -4.074
  305    QE   LYS  36           QE       LYS  36  -8.456 -11.391  -6.557
  306    QZ   LYS  36           QZ       LYS  36 -10.654 -11.231  -6.184
  307    H    ASN  37           HN       ASN  37  -4.873  -8.312  -4.101
  308    HA   ASN  37           HA       ASN  37  -2.267  -7.478  -3.321
  309   1HB   ASN  37          2HB       ASN  37  -5.094  -6.417  -2.880
  310   2HB   ASN  37          3HB       ASN  37  -3.696  -5.592  -2.211
  311   1HD2  ASN  37          2HD2      ASN  37  -2.412  -4.434  -5.330
  312   2HD2  ASN  37          1HD2      ASN  37  -1.915  -4.982  -3.735
  313    QB   ASN  37           QB       ASN  37  -4.395  -6.004  -2.545
  314    QD2  ASN  37           QD2      ASN  37  -2.164  -4.708  -4.533
  315    H    GLN  38           HN       GLN  38  -1.367  -7.042  -1.270
  316    HA   GLN  38           HA       GLN  38  -2.836  -7.893   1.161
  317   1HB   GLN  38          2HB       GLN  38  -0.794  -9.202   1.870
  318   2HB   GLN  38          3HB       GLN  38  -1.817  -9.921   0.630
  319   1HG   GLN  38          2HG       GLN  38  -0.330  -9.695  -1.095
  320   2HG   GLN  38          3HG       GLN  38   0.516  -8.363  -0.317
  321   1HE2  GLN  38          2HE2      GLN  38   2.474 -10.472   1.870
  322   2HE2  GLN  38          1HE2      GLN  38   1.540  -8.979   1.910
  323    QB   GLN  38           QB       GLN  38  -1.305  -9.562   1.250
  324    QG   GLN  38           QG       GLN  38   0.093  -9.029  -0.706
  325    QE2  GLN  38           QE2      GLN  38   2.007  -9.726   1.890
  326    H    CYS  39           HN       CYS  39  -2.783  -6.035   2.311
  327    HA   CYS  39           HA       CYS  39  -0.344  -4.364   2.424
  328   1HB   CYS  39          2HB       CYS  39  -2.476  -3.197   2.250
  329   2HB   CYS  39          3HB       CYS  39  -3.114  -4.111   3.620
  330    QB   CYS  39           QB       CYS  39  -2.795  -3.654   2.935
  331    H    VAL  40           HN       VAL  40   1.214  -4.877   3.894
  332    HA   VAL  40           HA       VAL  40   0.387  -6.113   6.489
  333    HB   VAL  40           HB       VAL  40   2.007  -7.762   6.405
  334   1HG1  VAL  40          2HG1      VAL  40   0.078  -8.189   4.835
  335   2HG1  VAL  40          3HG1      VAL  40   1.115  -7.647   3.498
  336   3HG1  VAL  40          1HG1      VAL  40   1.558  -9.080   4.437
  337   1HG2  VAL  40          2HG2      VAL  40   3.284  -6.345   4.032
  338   2HG2  VAL  40          3HG2      VAL  40   3.971  -6.602   5.653
  339   3HG2  VAL  40          1HG2      VAL  40   3.724  -7.978   4.585
  340    QG1  VAL  40           QG1      VAL  40   0.917  -8.305   4.257
  341    QG2  VAL  40           QG2      VAL  40   3.660  -6.975   4.757
  342    QQG  VAL  40           QQG      VAL  40   2.288  -7.640   4.507
  343    H    THR  41           HN       THR  41   2.113  -5.781   8.201
  344    HA   THR  41           HA       THR  41   2.809  -3.024   8.252
  345    HB   THR  41           HB       THR  41   2.353  -4.128  10.283
  346    HG1  THR  41          1HG       THR  41   3.888  -2.373  10.193
  347   1HG2  THR  41          1HG2      THR  41   4.850  -5.809   9.770
  348   2HG2  THR  41          2HG2      THR  41   3.981  -5.705  11.311
  349   3HG2  THR  41          3HG2      THR  41   3.179  -6.400   9.897
  350    QG2  THR  41           QG2      THR  41   4.003  -5.971  10.326
  351    H    GLY  42           HN       GLY  42   4.980  -2.014   8.133
  352   1HA   GLY  42          1HA       GLY  42   7.386  -3.217   7.702
  353   2HA   GLY  42          2HA       GLY  42   6.670  -3.297   6.086
  354    QA   GLY  42           QA       GLY  42   7.028  -3.257   6.894
  355    H    GLU  43           HN       GLU  43   5.225  -0.744   6.404
  356    HA   GLU  43           HA       GLU  43   5.438   1.440   6.063
  357   1HB   GLU  43          2HB       GLU  43   6.783   1.283   8.224
  358   2HB   GLU  43          3HB       GLU  43   8.236   1.454   7.242
  359   1HG   GLU  43          2HG       GLU  43   7.622   3.633   6.513
  360   2HG   GLU  43          3HG       GLU  43   5.932   3.430   6.997
  361    QB   GLU  43           QB       GLU  43   7.510   1.369   7.733
  362    QG   GLU  43           QG       GLU  43   6.777   3.532   6.755
  363    H    GLY  44           HN       GLY  44   5.283   1.058   3.848
  364   1HA   GLY  44          1HA       GLY  44   7.725   0.884   2.187
  365   2HA   GLY  44          2HA       GLY  44   6.049   0.962   1.632
  366    QA   GLY  44           QA       GLY  44   6.887   0.923   1.910
  367    H    THR  45           HN       THR  45   7.479   2.423   0.136
  368    HA   THR  45           HA       THR  45   7.609   5.244   1.048
  369    HB   THR  45           HB       THR  45   8.363   3.792  -1.519
  370    HG1  THR  45          1HG       THR  45   9.609   3.723   0.562
  371   1HG2  THR  45          2HG2      THR  45   7.721   6.122  -2.124
  372   2HG2  THR  45          3HG2      THR  45   8.869   6.732  -0.901
  373   3HG2  THR  45          1HG2      THR  45   9.450   5.815  -2.293
  374    QG2  THR  45           QG2      THR  45   8.680   6.223  -1.773
  375    HA   PRO  46           HA       PRO  46   3.509   5.754  -0.713
  376   1HB   PRO  46          2HB       PRO  46   3.329   8.482  -1.004
  377   2HB   PRO  46          3HB       PRO  46   3.253   7.633   0.563
  378   1HG   PRO  46          2HG       PRO  46   5.629   9.011  -0.655
  379   2HG   PRO  46          3HG       PRO  46   5.046   9.066   1.036
  380   1HD   PRO  46          2HD       PRO  46   7.097   7.450   0.243
  381   2HD   PRO  46          3HD       PRO  46   5.953   6.953   1.519
  382    QB   PRO  46           QB       PRO  46   3.291   8.058  -0.221
  383    QG   PRO  46           QG       PRO  46   5.338   9.039   0.190
  384    QD   PRO  46           QD       PRO  46   6.525   7.202   0.881
  385    H    LYS  47           HN       LYS  47   2.589   5.675  -2.734
  386    HA   LYS  47           HA       LYS  47   4.008   5.479  -4.985
  387   1HB   LYS  47          2HB       LYS  47   1.519   5.018  -4.548
  388   2HB   LYS  47          3HB       LYS  47   1.188   6.657  -5.073
  389   1HG   LYS  47          2HG       LYS  47   2.052   6.201  -7.302
  390   2HG   LYS  47          3HG       LYS  47   2.797   4.695  -6.743
  391   1HD   LYS  47          2HD       LYS  47   0.250   4.099  -6.094
  392   2HD   LYS  47          3HD       LYS  47  -0.105   5.221  -7.393
  393   1HE   LYS  47          2HE       LYS  47   1.859   2.861  -7.668
  394   2HE   LYS  47          3HE       LYS  47   0.120   2.688  -7.900
  395   1HZ   LYS  47          2HZ       LYS  47   1.818   4.483  -9.496
  396   2HZ   LYS  47          3HZ       LYS  47   1.340   2.945  -9.889
  397   3HZ   LYS  47          1HZ       LYS  47   0.214   4.148  -9.734
  398    QB   LYS  47           QB       LYS  47   1.354   5.838  -4.811
  399    QG   LYS  47           QG       LYS  47   2.425   5.448  -7.022
  400    QD   LYS  47           QD       LYS  47   0.072   4.660  -6.743
  401    QE   LYS  47           QE       LYS  47   0.990   2.775  -7.784
  402    QZ   LYS  47           QZ       LYS  47   1.124   3.858  -9.706
  403    HA   PRO  48           HA       PRO  48   5.293   9.680  -5.870
  404   1HB   PRO  48          2HB       PRO  48   6.315   9.382  -8.422
  405   2HB   PRO  48          3HB       PRO  48   7.146   8.851  -6.932
  406   1HG   PRO  48          2HG       PRO  48   5.543   7.184  -8.861
  407   2HG   PRO  48          3HG       PRO  48   7.093   6.781  -8.067
  408   1HD   PRO  48          2HD       PRO  48   4.660   5.884  -7.195
  409   2HD   PRO  48          3HD       PRO  48   6.014   6.179  -6.069
  410    QB   PRO  48           QB       PRO  48   6.730   9.117  -7.677
  411    QG   PRO  48           QG       PRO  48   6.318   6.982  -8.464
  412    QD   PRO  48           QD       PRO  48   5.337   6.031  -6.632
  413    H    GLN  49           HN       GLN  49   4.517  11.527  -7.054
  414    HA   GLN  49           HA       GLN  49   1.825  11.382  -7.965
  415   1HB   GLN  49          2HB       GLN  49   4.016  13.493  -7.946
  416   2HB   GLN  49          3HB       GLN  49   2.608  13.702  -8.976
  417   1HG   GLN  49          2HG       GLN  49   1.148  13.271  -6.913
  418   2HG   GLN  49          3HG       GLN  49   2.630  13.463  -5.955
  419   1HE2  GLN  49          2HE2      GLN  49   1.089  16.798  -5.970
  420   2HE2  GLN  49          1HE2      GLN  49   0.934  15.248  -5.155
  421    QB   GLN  49           QB       GLN  49   3.312  13.597  -8.461
  422    QG   GLN  49           QG       GLN  49   1.889  13.367  -6.434
  423    QE2  GLN  49           QE2      GLN  49   1.012  16.023  -5.562
  424    H    SER  50           HN       SER  50   0.999  11.850 -10.084
  425    HA   SER  50           HA       SER  50   2.563  11.703 -12.463
  426   1HB   SER  50          2HB       SER  50   1.661   9.361 -13.102
  427   2HB   SER  50          3HB       SER  50   3.054   9.416 -12.017
  428    HG   SER  50           HG       SER  50   1.693   9.066 -10.264
  429    QB   SER  50           QB       SER  50   2.358   9.389 -12.560
  430    H    HIS  51           HN       HIS  51  -0.414  10.251 -11.249
  431    HA   HIS  51           HA       HIS  51  -2.104  11.621 -13.221
  432   1HB   HIS  51          2HB       HIS  51  -2.262   9.197 -11.826
  433   2HB   HIS  51          3HB       HIS  51  -3.336  10.224 -10.888
  434    HD1  HIS  51           HD1      HIS  51  -5.364   8.671 -11.671
  435    HD2  HIS  51           HD2      HIS  51  -3.183  10.457 -14.792
  436    HE1  HIS  51           HE1      HIS  51  -6.622   8.168 -13.836
  437    QB   HIS  51           QB       HIS  51  -2.799   9.711 -11.357
   
  Start of MODEL          16
 Raw file had 437 H/Q atoms
  Start of MODEL   16
    1    H    VAL   1           HN       VAL   1 -10.137  14.638  -1.065
    2    HA   VAL   1           HA       VAL   1  -7.881  14.421  -1.977
    3    HB   VAL   1           HB       VAL   1  -6.251  13.002  -0.814
    4   1HG1  VAL   1          1HG1      VAL   1  -6.202  15.452  -0.492
    5   2HG1  VAL   1          2HG1      VAL   1  -7.197  15.283   0.979
    6   3HG1  VAL   1          3HG1      VAL   1  -5.575  14.571   0.910
    7   1HG2  VAL   1          3HG2      VAL   1  -8.341  12.808   1.402
    8   2HG2  VAL   1          1HG2      VAL   1  -7.493  11.504   0.542
    9   3HG2  VAL   1          2HG2      VAL   1  -6.614  12.541   1.673
   10    QG1  VAL   1           QG1      VAL   1  -6.325  15.102   0.466
   11    QG2  VAL   1           QG2      VAL   1  -7.483  12.285   1.206
   12    QQG  VAL   1           QQG      VAL   1  -6.904  13.693   0.836
   13    H    VAL   2           HN       VAL   2  -7.450  12.573  -3.352
   14    HA   VAL   2           HA       VAL   2  -9.547  10.452  -3.228
   15    HB   VAL   2           HB       VAL   2  -8.003  11.571  -5.613
   16   1HG1  VAL   2          3HG1      VAL   2 -10.176   9.434  -5.442
   17   2HG1  VAL   2          1HG1      VAL   2  -9.595  10.173  -6.947
   18   3HG1  VAL   2          2HG1      VAL   2  -8.493   9.203  -5.974
   19   1HG2  VAL   2          3HG2      VAL   2 -10.927  11.869  -4.784
   20   2HG2  VAL   2          1HG2      VAL   2  -9.716  13.169  -4.870
   21   3HG2  VAL   2          2HG2      VAL   2 -10.257  12.370  -6.351
   22    QG1  VAL   2           QG1      VAL   2  -9.421   9.603  -6.121
   23    QG2  VAL   2           QG2      VAL   2 -10.300  12.469  -5.335
   24    QQG  VAL   2           QQG      VAL   2  -9.861  11.036  -5.728
   25    OH   TYR   3           OH       TYR   3  -3.975   8.636   2.368
   26    H    TYR   3           HN       TYR   3  -8.766   8.308  -3.646
   27    HA   TYR   3           HA       TYR   3  -5.832   7.870  -3.478
   28   1HB   TYR   3          2HB       TYR   3  -8.042   6.716  -1.747
   29   2HB   TYR   3          3HB       TYR   3  -6.650   5.740  -2.176
   30    HD1  TYR   3           HD2      TYR   3  -4.397   6.204  -1.439
   31    HD2  TYR   3           HD1      TYR   3  -7.731   8.627  -0.185
   32    HE1  TYR   3           HE2      TYR   3  -3.086   7.000   0.512
   33    HE2  TYR   3           HE1      TYR   3  -6.421   9.417   1.765
   34    HH   TYR   3           HH       TYR   3  -4.437   9.285   2.902
   35    QB   TYR   3           QB       TYR   3  -7.346   6.228  -1.962
   36    QR   TYR   3           QR       TYR   3  -5.409   7.812   0.163
   37    H    THR   4           HN       THR   4  -5.238   5.815  -4.398
   38    HA   THR   4           HA       THR   4  -7.122   4.356  -6.078
   39    HB   THR   4           HB       THR   4  -5.530   4.617  -8.029
   40    HG1  THR   4          1HG       THR   4  -4.190   6.480  -7.957
   41   1HG2  THR   4          3HG2      THR   4  -7.699   5.906  -7.878
   42   2HG2  THR   4          1HG2      THR   4  -6.783   7.273  -7.212
   43   3HG2  THR   4          2HG2      THR   4  -6.443   6.694  -8.850
   44    QG2  THR   4           QG2      THR   4  -6.975   6.624  -7.980
   45    H    ASP   5           HN       ASP   5  -5.740   2.422  -7.017
   46    HA   ASP   5           HA       ASP   5  -4.546   1.149  -4.838
   47   1HB   ASP   5          2HB       ASP   5  -4.565   0.520  -7.817
   48   2HB   ASP   5          3HB       ASP   5  -3.838  -0.553  -6.625
   49    QB   ASP   5           QB       ASP   5  -4.202  -0.016  -7.221
   50    H    CYS   6           HN       CYS   6  -2.365   0.081  -4.879
   51    HA   CYS   6           HA       CYS   6  -0.201   1.880  -5.877
   52   1HB   CYS   6          2HB       CYS   6  -0.092  -0.620  -4.176
   53   2HB   CYS   6          3HB       CYS   6   1.301  -0.009  -5.105
   54    QB   CYS   6           QB       CYS   6   0.604  -0.315  -4.640
   55    H    THR   7           HN       THR   7   1.401   1.110  -7.254
   56    HA   THR   7           HA       THR   7   0.389  -0.763  -9.337
   57    HB   THR   7           HB       THR   7   1.836   0.654 -10.833
   58    HG1  THR   7          1HG       THR   7   3.200   1.741  -9.484
   59   1HG2  THR   7          2HG2      THR   7  -0.653   1.011 -10.542
   60   2HG2  THR   7          3HG2      THR   7  -0.299   2.181  -9.265
   61   3HG2  THR   7          1HG2      THR   7   0.242   2.486 -10.939
   62    QG2  THR   7           QG2      THR   7  -0.237   1.893 -10.249
   63    H    GLU   8           HN       GLU   8   2.787  -0.455  -6.869
   64    HA   GLU   8           HA       GLU   8   4.519  -2.492  -8.139
   65   1HB   GLU   8          2HB       GLU   8   5.813  -0.168  -6.752
   66   2HB   GLU   8          3HB       GLU   8   6.352  -1.078  -8.164
   67   1HG   GLU   8          2HG       GLU   8   4.654   0.134  -9.548
   68   2HG   GLU   8          3HG       GLU   8   4.147   1.003  -8.070
   69    QB   GLU   8           QB       GLU   8   6.082  -0.623  -7.458
   70    QG   GLU   8           QG       GLU   8   4.401   0.569  -8.809
   71    H    SER   9           HN       SER   9   5.319  -3.946  -6.566
   72    HA   SER   9           HA       SER   9   4.021  -3.934  -4.028
   73   1HB   SER   9          2HB       SER   9   6.305  -5.539  -5.195
   74   2HB   SER   9          3HB       SER   9   5.894  -5.681  -3.478
   75    HG   SER   9           HG       SER   9   4.729  -7.137  -5.002
   76    QB   SER   9           QB       SER   9   6.100  -5.610  -4.337
   77    H    GLY  10           HN       GLY  10   4.781  -3.503  -1.933
   78   1HA   GLY  10          1HA       GLY  10   6.585  -2.947  -0.402
   79   2HA   GLY  10          2HA       GLY  10   7.530  -2.299  -1.711
   80    QA   GLY  10           QA       GLY  10   7.058  -2.623  -1.057
   81    H    GLN  11           HN       GLN  11   4.424  -1.151  -2.317
   82    HA   GLN  11           HA       GLN  11   5.279   1.413  -1.325
   83   1HB   GLN  11          2HB       GLN  11   3.324   0.402  -3.398
   84   2HB   GLN  11          3HB       GLN  11   3.371   2.111  -2.910
   85   1HG   GLN  11          2HG       GLN  11   5.632   2.349  -3.673
   86   2HG   GLN  11          3HG       GLN  11   5.689   0.638  -4.168
   87   1HE2  GLN  11          2HE2      GLN  11   4.856   2.912  -7.092
   88   2HE2  GLN  11          1HE2      GLN  11   5.796   3.335  -5.664
   89    QB   GLN  11           QB       GLN  11   3.348   1.257  -3.154
   90    QG   GLN  11           QG       GLN  11   5.660   1.493  -3.921
   91    QE2  GLN  11           QE2      GLN  11   5.326   3.124  -6.378
   92    H    ASN  12           HN       ASN  12   3.880   2.914  -0.255
   93    HA   ASN  12           HA       ASN  12   1.496   1.701   1.104
   94   1HB   ASN  12          2HB       ASN  12   2.024   2.845   3.070
   95   2HB   ASN  12          3HB       ASN  12   3.546   2.134   2.492
   96   1HD2  ASN  12          2HD2      ASN  12   4.483   5.436   3.687
   97   2HD2  ASN  12          1HD2      ASN  12   3.872   3.927   4.361
   98    QB   ASN  12           QB       ASN  12   2.785   2.490   2.781
   99    QD2  ASN  12           QD2      ASN  12   4.177   4.681   4.024
  100    H    LEU  13           HN       LEU  13   0.161   3.719   2.074
  101    HA   LEU  13           HA       LEU  13  -1.213   5.510   1.581
  102   1HB   LEU  13          2HB       LEU  13   1.536   6.333   0.702
  103   2HB   LEU  13          3HB       LEU  13   0.245   7.333   0.099
  104    HG   LEU  13           HG       LEU  13   1.415   7.972   2.272
  105   1HD1  LEU  13          2HD1      LEU  13  -0.723   8.970   1.299
  106   2HD1  LEU  13          3HD1      LEU  13  -1.605   7.900   2.413
  107   3HD1  LEU  13          1HD1      LEU  13  -0.501   9.138   3.049
  108   1HD2  LEU  13          3HD2      LEU  13   1.135   5.740   3.420
  109   2HD2  LEU  13          1HD2      LEU  13   0.524   7.139   4.340
  110   3HD2  LEU  13          2HD2      LEU  13  -0.611   6.060   3.538
  111    QB   LEU  13           QB       LEU  13   0.891   6.833   0.400
  112    QD1  LEU  13           QD1      LEU  13  -0.943   8.669   2.253
  113    QD2  LEU  13           QD2      LEU  13   0.350   6.313   3.766
  114    QQD  LEU  13           QQD      LEU  13  -0.296   7.491   3.010
  115    H    CYS  14           HN       CYS  14  -1.944   3.477   0.251
  116    HA   CYS  14           HA       CYS  14  -3.170   4.490  -2.170
  117   1HB   CYS  14          2HB       CYS  14  -2.146   2.864  -3.644
  118   2HB   CYS  14          3HB       CYS  14  -0.887   3.860  -2.953
  119    QB   CYS  14           QB       CYS  14  -1.517   3.362  -3.298
  120    H    LEU  15           HN       LEU  15  -4.609   2.794  -2.978
  121    HA   LEU  15           HA       LEU  15  -5.873   1.274  -0.777
  122   1HB   LEU  15          2HB       LEU  15  -6.577   1.400  -3.724
  123   2HB   LEU  15          3HB       LEU  15  -7.617   0.841  -2.411
  124    HG   LEU  15           HG       LEU  15  -6.568   3.682  -2.734
  125   1HD1  LEU  15          3HD1      LEU  15  -8.196   3.038  -4.501
  126   2HD1  LEU  15          1HD1      LEU  15  -9.392   2.713  -3.223
  127   3HD1  LEU  15          2HD1      LEU  15  -8.745   4.353  -3.432
  128   1HD2  LEU  15          1HD2      LEU  15  -7.144   3.038  -0.366
  129   2HD2  LEU  15          2HD2      LEU  15  -8.249   4.269  -1.010
  130   3HD2  LEU  15          3HD2      LEU  15  -8.746   2.572  -0.939
  131    QB   LEU  15           QB       LEU  15  -7.097   1.121  -3.067
  132    QD1  LEU  15           QD1      LEU  15  -8.778   3.368  -3.719
  133    QD2  LEU  15           QD2      LEU  15  -8.046   3.293  -0.772
  134    QQD  LEU  15           QQD      LEU  15  -8.412   3.330  -2.245
  135    H    CYS  16           HN       CYS  16  -5.969  -0.870  -0.507
  136    HA   CYS  16           HA       CYS  16  -4.157  -2.514  -2.301
  137   1HB   CYS  16          2HB       CYS  16  -2.911  -1.628  -0.326
  138   2HB   CYS  16          3HB       CYS  16  -4.047  -2.488   0.723
  139    QB   CYS  16           QB       CYS  16  -3.479  -2.058   0.199
  140    H    GLU  17           HN       GLU  17  -6.199  -2.771   0.585
  141    HA   GLU  17           HA       GLU  17  -7.495  -5.219  -0.574
  142   1HB   GLU  17          2HB       GLU  17  -7.414  -4.145   2.263
  143   2HB   GLU  17          3HB       GLU  17  -8.426  -5.497   1.719
  144   1HG   GLU  17          2HG       GLU  17  -6.474  -6.762   0.984
  145   2HG   GLU  17          3HG       GLU  17  -5.390  -5.411   1.330
  146    QB   GLU  17           QB       GLU  17  -7.920  -4.821   1.991
  147    QG   GLU  17           QG       GLU  17  -5.932  -6.086   1.157
  148    H    ASP  18           HN       GLY  18  -8.798  -4.249  -2.112
  149   1HA   ASP  18          1HA       GLY  18 -10.678  -3.189  -2.921
  150   2HA   ASP  18          2HA       GLY  18 -11.339  -3.277  -1.276
  151    QA   ASP  18           QA       GLY  18 -11.008  -3.233  -2.099
  152    H    SER  19           HN       SER  19 -12.043  -1.209  -0.805
  153    HA   SER  19           HA       SER  19 -10.529   1.132  -1.761
  154   1HB   SER  19          2HB       SER  19 -13.053   0.991  -1.846
  155   2HB   SER  19          3HB       SER  19 -13.007   1.024  -0.061
  156    HG   SER  19           HG       SER  19 -11.804   3.022  -0.310
  157    QB   SER  19           QB       SER  19 -13.030   1.008  -0.954
  158    H    ASN  20           HN       ASN  20  -9.693  -0.851   0.654
  159    HA   ASN  20           HA       ASN  20  -9.450   1.161   2.801
  160   1HB   ASN  20          2HB       ASN  20  -8.341  -1.646   2.697
  161   2HB   ASN  20          3HB       ASN  20  -8.416  -0.567   4.077
  162   1HD2  ASN  20          2HD2      ASN  20 -11.689  -2.791   3.137
  163   2HD2  ASN  20          1HD2      ASN  20 -10.221  -2.833   2.156
  164    QB   ASN  20           QB       ASN  20  -8.378  -1.106   3.387
  165    QD2  ASN  20           QD2      ASN  20 -10.955  -2.812   2.647
  166    H    VAL  21           HN       VAL  21  -7.777   2.474   2.938
  167    HA   VAL  21           HA       VAL  21  -5.517   2.388   1.133
  168    HB   VAL  21           HB       VAL  21  -6.131   4.100   3.583
  169   1HG1  VAL  21          2HG1      VAL  21  -3.922   4.433   1.509
  170   2HG1  VAL  21          3HG1      VAL  21  -4.377   5.646   2.725
  171   3HG1  VAL  21          1HG1      VAL  21  -3.701   4.106   3.243
  172   1HG2  VAL  21          1HG2      VAL  21  -7.683   4.475   1.647
  173   2HG2  VAL  21          2HG2      VAL  21  -6.667   5.878   1.998
  174   3HG2  VAL  21          3HG2      VAL  21  -6.263   4.829   0.633
  175    QG1  VAL  21           QG1      VAL  21  -4.000   4.728   2.492
  176    QG2  VAL  21           QG2      VAL  21  -6.871   5.061   1.426
  177    QQG  VAL  21           QQG      VAL  21  -5.435   4.894   1.959
  178    H    CYS  22           HN       CYS  22  -3.546   1.522   1.470
  179    HA   CYS  22           HA       CYS  22  -2.986   0.004   3.873
  180   1HB   CYS  22          2HB       CYS  22  -2.247  -0.693   1.621
  181   2HB   CYS  22          3HB       CYS  22  -1.128   0.677   1.563
  182    QB   CYS  22           QB       CYS  22  -1.687  -0.008   1.592
  183    H    GLY  23           HN       GLY  23  -3.105   1.431   5.468
  184   1HA   GLY  23          1HA       GLY  23  -2.348   3.961   5.844
  185   2HA   GLY  23          2HA       GLY  23  -2.269   2.753   7.131
  186    QA   GLY  23           QA       GLY  23  -2.308   3.357   6.487
  187    H    GLN  24           HN       GLN  24  -0.648   5.133   6.760
  188    HA   GLN  24           HA       GLN  24   1.960   4.681   5.964
  189   1HB   GLN  24          2HB       GLN  24   2.563   6.422   7.596
  190   2HB   GLN  24          3HB       GLN  24   1.153   6.847   6.640
  191   1HG   GLN  24          2HG       GLN  24  -0.038   7.228   8.476
  192   2HG   GLN  24          3HG       GLN  24   0.112   5.548   8.983
  193   1HE2  GLN  24          2HE2      GLN  24   1.645   8.112  11.446
  194   2HE2  GLN  24          1HE2      GLN  24   0.203   8.282  10.461
  195    QB   GLN  24           QB       GLN  24   1.858   6.634   7.118
  196    QG   GLN  24           QG       GLN  24   0.037   6.388   8.729
  197    QE2  GLN  24           QE2      GLN  24   0.924   8.197  10.954
  198    H    GLY  25           HN       GLY  25   3.788   3.740   6.902
  199   1HA   GLY  25          1HA       GLY  25   4.999   2.450   8.396
  200   2HA   GLY  25          2HA       GLY  25   3.617   2.339   9.486
  201    QA   GLY  25           QA       GLY  25   4.308   2.394   8.941
  202    H    ASN  26           HN       ASN  26   2.303   1.556   6.512
  203    HA   ASN  26           HA       ASN  26   3.088  -1.310   6.621
  204   1HB   ASN  26          2HB       ASN  26   0.378  -0.212   5.768
  205   2HB   ASN  26          3HB       ASN  26   0.810  -1.891   6.102
  206   1HD2  ASN  26          2HD2      ASN  26  -1.249  -0.875   8.945
  207   2HD2  ASN  26          1HD2      ASN  26  -1.462  -1.228   7.237
  208    QB   ASN  26           QB       ASN  26   0.594  -1.052   5.935
  209    QD2  ASN  26           QD2      ASN  26  -1.356  -1.051   8.091
  210    H    LYS  27           HN       LYS  27   2.648  -2.394   4.365
  211    HA   LYS  27           HA       LYS  27   2.836  -0.501   2.128
  212   1HB   LYS  27          2HB       LYS  27   4.889  -1.162   1.447
  213   2HB   LYS  27          3HB       LYS  27   5.127  -1.144   3.186
  214   1HG   LYS  27          2HG       LYS  27   4.368  -3.818   2.596
  215   2HG   LYS  27          3HG       LYS  27   5.362  -3.315   1.251
  216   1HD   LYS  27          2HD       LYS  27   6.943  -4.181   2.793
  217   2HD   LYS  27          3HD       LYS  27   7.009  -2.442   3.116
  218   1HE   LYS  27          2HE       LYS  27   5.157  -2.948   4.916
  219   2HE   LYS  27          3HE       LYS  27   5.589  -4.653   4.671
  220   1HZ   LYS  27          2HZ       LYS  27   7.847  -4.097   5.302
  221   2HZ   LYS  27          3HZ       LYS  27   7.373  -2.543   5.610
  222   3HZ   LYS  27          1HZ       LYS  27   6.706  -3.815   6.463
  223    QB   LYS  27           QB       LYS  27   5.008  -1.153   2.317
  224    QG   LYS  27           QG       LYS  27   4.865  -3.567   1.924
  225    QD   LYS  27           QD       LYS  27   6.976  -3.311   2.954
  226    QE   LYS  27           QE       LYS  27   5.373  -3.801   4.793
  227    QZ   LYS  27           QZ       LYS  27   7.309  -3.485   5.792
  228    H    CYS  28           HN       CYS  28   2.418  -1.572   0.030
  229    HA   CYS  28           HA       CYS  28   0.576  -3.870   0.445
  230   1HB   CYS  28          2HB       CYS  28  -0.359  -1.746  -0.498
  231   2HB   CYS  28          3HB       CYS  28   0.702  -1.971  -1.897
  232    QB   CYS  28           QB       CYS  28   0.171  -1.859  -1.198
  233    H    ILE  29           HN       ILE  29   1.110  -5.752  -0.368
  234    HA   ILE  29           HA       ILE  29   3.363  -5.978  -2.328
  235    HB   ILE  29           HB       ILE  29   2.088  -8.126  -0.616
  236   1HG1  ILE  29          2HG1      ILE  29   3.160  -6.506   0.836
  237   2HG1  ILE  29          3HG1      ILE  29   4.092  -7.996   0.783
  238   1HG2  ILE  29          3HG2      ILE  29   4.520  -8.068  -2.448
  239   2HG2  ILE  29          1HG2      ILE  29   4.305  -9.286  -1.170
  240   3HG2  ILE  29          2HG2      ILE  29   3.119  -9.152  -2.463
  241   1HD1  ILE  29          2HD1      ILE  29   5.691  -6.873  -0.820
  242   2HD1  ILE  29          3HD1      ILE  29   4.769  -5.366  -0.609
  243   3HD1  ILE  29          1HD1      ILE  29   5.593  -6.100   0.769
  244    QG1  ILE  29           QG1      ILE  29   3.626  -7.251   0.810
  245    QG2  ILE  29           QG2      ILE  29   3.981  -8.835  -2.027
  246    QD1  ILE  29           QD1      ILE  29   5.351  -6.113  -0.220
  247    H    LEU  30           HN       LEU  30   2.664  -5.847  -4.339
  248    HA   LEU  30           HA       LEU  30  -0.132  -6.198  -5.114
  249   1HB   LEU  30          2HB       LEU  30   2.397  -5.178  -6.377
  250   2HB   LEU  30          3HB       LEU  30   1.331  -6.057  -7.451
  251    HG   LEU  30           HG       LEU  30  -0.603  -4.586  -6.637
  252   1HD1  LEU  30          1HD1      LEU  30   1.788  -3.228  -5.383
  253   2HD1  LEU  30          2HD1      LEU  30   0.577  -2.219  -6.166
  254   3HD1  LEU  30          3HD1      LEU  30   0.097  -3.295  -4.846
  255   1HD2  LEU  30          3HD2      LEU  30   1.692  -3.611  -8.351
  256   2HD2  LEU  30          1HD2      LEU  30   0.313  -4.596  -8.864
  257   3HD2  LEU  30          2HD2      LEU  30   0.039  -2.927  -8.361
  258    QB   LEU  30           QB       LEU  30   1.864  -5.618  -6.914
  259    QD1  LEU  30           QD1      LEU  30   0.820  -2.914  -5.465
  260    QD2  LEU  30           QD2      LEU  30   0.682  -3.711  -8.525
  261    QQD  LEU  30           QQD      LEU  30   0.751  -3.313  -6.995
  262    H    GLY  31           HN       GLY  31  -0.576  -8.376  -4.658
  263   1HA   GLY  31          1HA       GLY  31  -0.744 -10.597  -5.232
  264   2HA   GLY  31          2HA       GLY  31   0.157 -10.275  -6.726
  265    QA   GLY  31           QA       GLY  31  -0.294 -10.436  -5.979
  266    H    SER  32           HN       SER  32   0.772 -12.551  -5.646
  267    HA   SER  32           HA       SER  32   3.546 -12.495  -5.104
  268   1HB   SER  32          2HB       SER  32   2.811 -11.728  -2.792
  269   2HB   SER  32          3HB       SER  32   1.866 -13.220  -2.650
  270    HG   SER  32           HG       SER  32   3.764 -13.785  -1.813
  271    QB   SER  32           QB       SER  32   2.338 -12.474  -2.721
  272    H    ASN  33           HN       ASP  33   3.554 -14.073  -6.712
  273    HA   ASN  33           HA       ASP  33   3.103 -15.967  -7.859
  274   1HB   ASN  33          2HB       ASP  33   3.083 -17.082  -5.030
  275   2HB   ASN  33          3HB       ASP  33   3.442 -17.979  -6.509
  276    QB   ASN  33           QB       ASP  33   3.262 -17.530  -5.770
  277    H    GLY  34           HN       GLY  34   0.779 -14.556  -7.734
  278   1HA   GLY  34          1HA       GLY  34  -1.268 -15.030  -8.645
  279   2HA   GLY  34          2HA       GLY  34  -1.178 -16.663  -8.005
  280    QA   GLY  34           QA       GLY  34  -1.223 -15.846  -8.325
  281    H    GLU  35           HN       GLU  35  -0.374 -14.575  -5.475
  282    HA   GLU  35           HA       GLU  35  -3.002 -14.616  -4.296
  283   1HB   GLU  35          2HB       GLU  35  -0.285 -13.649  -3.524
  284   2HB   GLU  35          3HB       GLU  35  -1.616 -12.821  -2.761
  285   1HG   GLU  35          2HG       GLU  35  -0.942 -14.619  -1.350
  286   2HG   GLU  35          3HG       GLU  35  -2.560 -14.968  -1.964
  287    QB   GLU  35           QB       GLU  35  -0.950 -13.235  -3.142
  288    QG   GLU  35           QG       GLU  35  -1.751 -14.793  -1.657
  289    H    LYS  36           HN       LYS  36  -3.741 -12.588  -3.265
  290    HA   LYS  36           HA       LYS  36  -4.581 -10.561  -5.227
  291   1HB   LYS  36          2HB       LYS  36  -5.363 -10.991  -2.303
  292   2HB   LYS  36          3HB       LYS  36  -6.155  -9.930  -3.456
  293   1HG   LYS  36          2HG       LYS  36  -7.536 -11.597  -3.990
  294   2HG   LYS  36          3HG       LYS  36  -6.168 -12.412  -4.762
  295   1HD   LYS  36          2HD       LYS  36  -5.720 -13.233  -2.211
  296   2HD   LYS  36          3HD       LYS  36  -7.433 -12.878  -2.045
  297   1HE   LYS  36          2HE       LYS  36  -6.054 -14.891  -3.888
  298   2HE   LYS  36          3HE       LYS  36  -7.177 -15.213  -2.563
  299   1HZ   LYS  36          2HZ       LYS  36  -8.712 -13.755  -4.121
  300   2HZ   LYS  36          3HZ       LYS  36  -7.722 -14.396  -5.275
  301   3HZ   LYS  36          1HZ       LYS  36  -8.575 -15.388  -4.283
  302    QB   LYS  36           QB       LYS  36  -5.759 -10.460  -2.880
  303    QG   LYS  36           QG       LYS  36  -6.852 -12.005  -4.376
  304    QD   LYS  36           QD       LYS  36  -6.576 -13.055  -2.128
  305    QE   LYS  36           QE       LYS  36  -6.615 -15.052  -3.226
  306    QZ   LYS  36           QZ       LYS  36  -8.336 -14.513  -4.560
  307    H    ASN  37           HN       ASN  37  -4.711  -8.303  -4.080
  308    HA   ASN  37           HA       ASN  37  -2.136  -7.378  -3.096
  309   1HB   ASN  37          2HB       ASN  37  -4.899  -6.172  -3.335
  310   2HB   ASN  37          3HB       ASN  37  -3.571  -5.347  -2.512
  311   1HD2  ASN  37          2HD2      ASN  37  -2.850  -3.900  -5.665
  312   2HD2  ASN  37          1HD2      ASN  37  -3.484  -3.617  -4.057
  313    QB   ASN  37           QB       ASN  37  -4.235  -5.759  -2.923
  314    QD2  ASN  37           QD2      ASN  37  -3.167  -3.759  -4.861
  315    H    GLN  38           HN       GLN  38  -1.400  -7.507  -1.175
  316    HA   GLN  38           HA       GLN  38  -2.950  -8.043   1.321
  317   1HB   GLN  38          2HB       GLN  38  -0.024  -8.610   0.617
  318   2HB   GLN  38          3HB       GLN  38  -0.898  -9.197   2.025
  319   1HG   GLN  38          2HG       GLN  38  -1.750 -10.043  -0.799
  320   2HG   GLN  38          3HG       GLN  38  -0.337 -10.764  -0.036
  321   1HE2  GLN  38          2HE2      GLN  38  -2.209 -12.495   2.482
  322   2HE2  GLN  38          1HE2      GLN  38  -0.629 -11.835   2.098
  323    QB   GLN  38           QB       GLN  38  -0.461  -8.903   1.321
  324    QG   GLN  38           QG       GLN  38  -1.043 -10.404  -0.418
  325    QE2  GLN  38           QE2      GLN  38  -1.419 -12.165   2.290
  326    H    CYS  39           HN       CYS  39  -2.749  -6.202   2.806
  327    HA   CYS  39           HA       CYS  39  -0.450  -4.327   2.384
  328   1HB   CYS  39          2HB       CYS  39  -2.622  -3.220   2.473
  329   2HB   CYS  39          3HB       CYS  39  -2.999  -4.066   3.977
  330    QB   CYS  39           QB       CYS  39  -2.810  -3.643   3.225
  331    H    VAL  40           HN       VAL  40   1.327  -4.835   3.609
  332    HA   VAL  40           HA       VAL  40   0.931  -6.192   6.272
  333    HB   VAL  40           HB       VAL  40   3.160  -7.207   5.853
  334   1HG1  VAL  40          1HG1      VAL  40   1.090  -8.459   5.326
  335   2HG1  VAL  40          2HG1      VAL  40   1.093  -7.785   3.681
  336   3HG1  VAL  40          3HG1      VAL  40   2.409  -8.861   4.193
  337   1HG2  VAL  40          2HG2      VAL  40   3.737  -5.396   4.048
  338   2HG2  VAL  40          3HG2      VAL  40   4.289  -7.062   3.775
  339   3HG2  VAL  40          1HG2      VAL  40   2.850  -6.426   2.947
  340    QG1  VAL  40           QG1      VAL  40   1.531  -8.369   4.400
  341    QG2  VAL  40           QG2      VAL  40   3.625  -6.295   3.590
  342    QQG  VAL  40           QQG      VAL  40   2.578  -7.332   3.995
  343    H    THR  41           HN       THR  41   2.481  -5.745   7.920
  344    HA   THR  41           HA       THR  41   2.761  -2.880   8.060
  345    HB   THR  41           HB       THR  41   3.615  -4.690  10.290
  346    HG1  THR  41          1HG       THR  41   1.741  -5.711   9.705
  347   1HG2  THR  41          3HG2      THR  41   3.454  -2.090  10.441
  348   2HG2  THR  41          1HG2      THR  41   1.707  -2.323  10.259
  349   3HG2  THR  41          2HG2      THR  41   2.547  -3.022  11.646
  350    QG2  THR  41           QG2      THR  41   2.570  -2.479  10.782
  351    H    GLY  42           HN       GLY  42   4.762  -1.807   8.938
  352   1HA   GLY  42          1HA       GLY  42   6.944  -2.023   9.900
  353   2HA   GLY  42          2HA       GLY  42   7.270  -3.456   8.924
  354    QA   GLY  42           QA       GLY  42   7.107  -2.739   9.412
  355    H    GLU  43           HN       GLU  43   5.921  -0.330   8.006
  356    HA   GLU  43           HA       GLU  43   6.583   1.439   6.935
  357   1HB   GLU  43          2HB       GLU  43   8.773   0.904   8.313
  358   2HB   GLU  43          3HB       GLU  43   9.493   0.599   6.732
  359   1HG   GLU  43          2HG       GLU  43   9.310   2.880   6.130
  360   2HG   GLU  43          3HG       GLU  43   7.922   3.166   7.197
  361    QB   GLU  43           QB       GLU  43   9.133   0.752   7.523
  362    QG   GLU  43           QG       GLU  43   8.616   3.023   6.664
  363    H    GLY  44           HN       GLY  44   7.229   2.235   4.740
  364   1HA   GLY  44          1HA       GLY  44   7.396   0.304   2.574
  365   2HA   GLY  44          2HA       GLY  44   5.752   0.935   2.889
  366    QA   GLY  44           QA       GLY  44   6.574   0.619   2.732
  367    H    THR  45           HN       THR  45   7.191   1.478   0.477
  368    HA   THR  45           HA       THR  45   8.284   4.207   0.844
  369    HB   THR  45           HB       THR  45   9.408   2.294  -0.440
  370    HG1  THR  45          1HG       THR  45  10.345   3.798  -1.789
  371   1HG2  THR  45          1HG2      THR  45   7.479   1.690  -1.927
  372   2HG2  THR  45          2HG2      THR  45   7.631   3.285  -2.707
  373   3HG2  THR  45          3HG2      THR  45   8.951   2.110  -2.811
  374    QG2  THR  45           QG2      THR  45   8.020   2.362  -2.482
  375    HA   PRO  46           HA       PRO  46   4.415   5.889  -0.687
  376   1HB   PRO  46          2HB       PRO  46   5.126   8.347  -1.658
  377   2HB   PRO  46          3HB       PRO  46   5.070   7.948   0.085
  378   1HG   PRO  46          2HG       PRO  46   7.488   7.975  -1.747
  379   2HG   PRO  46          3HG       PRO  46   7.344   8.694  -0.117
  380   1HD   PRO  46          2HD       PRO  46   8.493   6.252  -0.569
  381   2HD   PRO  46          3HD       PRO  46   7.556   6.574   0.918
  382    QB   PRO  46           QB       PRO  46   5.098   8.147  -0.787
  383    QG   PRO  46           QG       PRO  46   7.416   8.335  -0.932
  384    QD   PRO  46           QD       PRO  46   8.024   6.413   0.175
  385    H    LYS  47           HN       LYS  47   3.250   6.185  -2.640
  386    HA   LYS  47           HA       LYS  47   4.595   5.178  -5.057
  387   1HB   LYS  47          2HB       LYS  47   2.614   4.025  -4.231
  388   2HB   LYS  47          3HB       LYS  47   1.651   5.485  -4.418
  389   1HG   LYS  47          2HG       LYS  47   3.187   4.875  -6.864
  390   2HG   LYS  47          3HG       LYS  47   2.286   3.473  -6.360
  391   1HD   LYS  47          2HD       LYS  47   0.218   4.421  -6.847
  392   2HD   LYS  47          3HD       LYS  47   0.732   6.027  -6.330
  393   1HE   LYS  47          2HE       LYS  47   0.411   6.166  -8.702
  394   2HE   LYS  47          3HE       LYS  47   2.121   6.304  -8.328
  395   1HZ   LYS  47          3HZ       LYS  47   2.188   3.787  -8.899
  396   2HZ   LYS  47          1HZ       LYS  47   0.731   4.040  -9.540
  397   3HZ   LYS  47          2HZ       LYS  47   2.025   4.878 -10.108
  398    QB   LYS  47           QB       LYS  47   2.132   4.755  -4.324
  399    QG   LYS  47           QG       LYS  47   2.737   4.174  -6.612
  400    QD   LYS  47           QD       LYS  47   0.475   5.224  -6.588
  401    QE   LYS  47           QE       LYS  47   1.266   6.235  -8.515
  402    QZ   LYS  47           QZ       LYS  47   1.648   4.235  -9.516
  403    HA   PRO  48           HA       PRO  48   4.346   9.621  -6.071
  404   1HB   PRO  48          2HB       PRO  48   6.300   9.752  -7.977
  405   2HB   PRO  48          3HB       PRO  48   6.640   9.621  -6.228
  406   1HG   PRO  48          2HG       PRO  48   6.779   7.469  -8.321
  407   2HG   PRO  48          3HG       PRO  48   7.818   7.715  -6.889
  408   1HD   PRO  48          2HD       PRO  48   5.628   5.938  -7.106
  409   2HD   PRO  48          3HD       PRO  48   6.386   6.446  -5.582
  410    QB   PRO  48           QB       PRO  48   6.470   9.687  -7.103
  411    QG   PRO  48           QG       PRO  48   7.298   7.592  -7.605
  412    QD   PRO  48           QD       PRO  48   6.007   6.192  -6.344
  413    H    GLN  49           HN       GLN  49   3.178  10.724  -7.631
  414    HA   GLN  49           HA       GLN  49   1.931   9.138  -9.795
  415   1HB   GLN  49          2HB       GLN  49   1.029  11.215  -8.038
  416   2HB   GLN  49          3HB       GLN  49   1.025  11.900  -9.659
  417   1HG   GLN  49          2HG       GLN  49  -0.282   9.259  -8.845
  418   2HG   GLN  49          3HG       GLN  49  -1.126  10.810  -8.950
  419   1HE2  GLN  49          2HE2      GLN  49  -1.617   8.868 -12.160
  420   2HE2  GLN  49          1HE2      GLN  49  -1.860   8.431 -10.476
  421    QB   GLN  49           QB       GLN  49   1.027  11.557  -8.848
  422    QG   GLN  49           QG       GLN  49  -0.704  10.035  -8.898
  423    QE2  GLN  49           QE2      GLN  49  -1.738   8.650 -11.318
  424    H    SER  50           HN       SER  50   1.712  10.278 -11.915
  425    HA   SER  50           HA       SER  50   2.693  10.742 -13.842
  426   1HB   SER  50          2HB       SER  50   4.403  12.741 -12.314
  427   2HB   SER  50          3HB       SER  50   4.053  12.734 -14.049
  428    HG   SER  50           HG       SER  50   2.656  14.142 -12.837
  429    QB   SER  50           QB       SER  50   4.228  12.737 -13.181
  430    H    HIS  51           HN       HIS  51   4.697  10.635 -15.210
  431    HA   HIS  51           HA       HIS  51   7.218   9.942 -14.326
  432   1HB   HIS  51          2HB       HIS  51   5.339   7.627 -14.923
  433   2HB   HIS  51          3HB       HIS  51   6.982   7.569 -15.558
  434    HD1  HIS  51           HD1      HIS  51   8.813   8.430 -13.350
  435    HD2  HIS  51           HD2      HIS  51   5.308   6.201 -12.695
  436    HE1  HIS  51           HE1      HIS  51   9.104   7.248 -11.100
  437    QB   HIS  51           QB       HIS  51   6.161   7.598 -15.241
   
  Start of MODEL          17
 Raw file had 437 H/Q atoms
  Start of MODEL   17
    1    H    VAL   1           HN       VAL   1  -9.917  12.758   1.441
    2    HA   VAL   1           HA       VAL   1 -10.309  12.585  -0.760
    3    HB   VAL   1           HB       VAL   1  -8.259  13.990  -0.680
    4   1HG1  VAL   1          2HG1      VAL   1  -6.768  11.873   0.021
    5   2HG1  VAL   1          3HG1      VAL   1  -6.564  11.737  -1.754
    6   3HG1  VAL   1          1HG1      VAL   1  -6.090  13.250  -0.911
    7   1HG2  VAL   1          2HG2      VAL   1  -9.471  13.603  -2.834
    8   2HG2  VAL   1          3HG2      VAL   1  -7.750  13.990  -3.017
    9   3HG2  VAL   1          1HG2      VAL   1  -8.298  12.325  -3.225
   10    QG1  VAL   1           QG1      VAL   1  -6.474  12.287  -0.881
   11    QG2  VAL   1           QG2      VAL   1  -8.506  13.306  -3.025
   12    QQG  VAL   1           QQG      VAL   1  -7.490  12.796  -1.953
   13    H    VAL   2           HN       VAL   2  -9.918  11.086  -2.788
   14    HA   VAL   2           HA       VAL   2  -9.900   8.304  -1.815
   15    HB   VAL   2           HB       VAL   2 -10.652   9.634  -4.432
   16   1HG1  VAL   2          3HG1      VAL   2 -10.177   6.738  -3.766
   17   2HG1  VAL   2          1HG1      VAL   2 -11.666   7.137  -4.706
   18   3HG1  VAL   2          2HG1      VAL   2 -10.050   7.615  -5.342
   19   1HG2  VAL   2          3HG2      VAL   2 -12.188   9.795  -2.335
   20   2HG2  VAL   2          1HG2      VAL   2 -12.899   9.178  -3.877
   21   3HG2  VAL   2          2HG2      VAL   2 -12.422   8.015  -2.566
   22    QG1  VAL   2           QG1      VAL   2 -10.631   7.164  -4.605
   23    QG2  VAL   2           QG2      VAL   2 -12.503   8.996  -2.926
   24    QQG  VAL   2           QQG      VAL   2 -11.567   8.080  -3.765
   25    OH   TYR   3           OH       TYR   3  -7.181   9.520   2.856
   26    H    TYR   3           HN       TYR   3  -8.100   7.092  -1.993
   27    HA   TYR   3           HA       TYR   3  -5.698   8.185  -3.319
   28   1HB   TYR   3          2HB       TYR   3  -5.918   5.553  -1.788
   29   2HB   TYR   3          3HB       TYR   3  -4.499   6.591  -2.014
   30    HD1  TYR   3           HD2      TYR   3  -4.317   8.824  -0.784
   31    HD2  TYR   3           HD1      TYR   3  -7.458   5.932   0.005
   32    HE1  TYR   3           HE2      TYR   3  -5.094  10.111   1.215
   33    HE2  TYR   3           HE1      TYR   3  -8.121   7.180   2.029
   34    HH   TYR   3           HH       TYR   3  -7.843   9.043   3.426
   35    QB   TYR   3           QB       TYR   3  -5.209   6.072  -1.901
   36    QR   TYR   3           QR       TYR   3  -6.248   8.012   0.616
   37    H    THR   4           HN       THR   4  -4.374   6.416  -4.640
   38    HA   THR   4           HA       THR   4  -6.212   5.040  -6.531
   39    HB   THR   4           HB       THR   4  -4.054   5.039  -7.886
   40    HG1  THR   4          1HG       THR   4  -2.550   6.689  -7.084
   41   1HG2  THR   4          3HG2      THR   4  -5.156   7.761  -7.004
   42   2HG2  THR   4          1HG2      THR   4  -4.222   7.454  -8.488
   43   3HG2  THR   4          2HG2      THR   4  -5.831   6.727  -8.286
   44    QG2  THR   4           QG2      THR   4  -5.070   7.314  -7.926
   45    H    ASP   5           HN       ASP   5  -5.338   2.874  -7.373
   46    HA   ASP   5           HA       ASP   5  -4.794   1.158  -5.141
   47   1HB   ASP   5          2HB       ASP   5  -5.066   0.709  -8.139
   48   2HB   ASP   5          3HB       ASP   5  -4.614  -0.594  -7.025
   49    QB   ASP   5           QB       ASP   5  -4.840   0.058  -7.582
   50    H    CYS   6           HN       CYS   6  -2.947  -0.409  -4.945
   51    HA   CYS   6           HA       CYS   6  -0.456   1.114  -5.599
   52   1HB   CYS   6          2HB       CYS   6  -0.730  -1.479  -4.013
   53   2HB   CYS   6          3HB       CYS   6   0.777  -0.638  -4.476
   54    QB   CYS   6           QB       CYS   6   0.024  -1.059  -4.245
   55    H    THR   7           HN       THR   7   1.271   0.273  -6.828
   56    HA   THR   7           HA       THR   7   0.494  -1.933  -8.713
   57    HB   THR   7           HB       THR   7   1.042  -0.596 -10.570
   58    HG1  THR   7          1HG       THR   7   2.609   0.752 -10.316
   59   1HG2  THR   7          3HG2      THR   7  -1.200  -0.036  -9.566
   60   2HG2  THR   7          1HG2      THR   7  -0.428   1.292  -8.666
   61   3HG2  THR   7          2HG2      THR   7  -0.450   1.339 -10.429
   62    QG2  THR   7           QG2      THR   7  -0.693   0.865  -9.554
   63    H    GLU   8           HN       GLU   8   2.641  -1.287  -6.363
   64    HA   GLU   8           HA       GLU   8   4.893  -2.668  -7.634
   65   1HB   GLU   8          2HB       GLU   8   5.728  -0.264  -6.089
   66   2HB   GLU   8          3HB       GLU   8   6.285  -0.850  -7.669
   67   1HG   GLU   8          2HG       GLU   8   4.268   0.167  -8.750
   68   2HG   GLU   8          3HG       GLU   8   3.720   0.766  -7.137
   69    QB   GLU   8           QB       GLU   8   6.006  -0.557  -6.879
   70    QG   GLU   8           QG       GLU   8   3.994   0.467  -7.943
   71    H    SER   9           HN       SER   9   5.949  -3.956  -6.051
   72    HA   SER   9           HA       SER   9   4.494  -4.301  -3.585
   73   1HB   SER   9          2HB       SER   9   6.955  -5.590  -4.769
   74   2HB   SER   9          3HB       SER   9   6.549  -5.860  -3.066
   75    HG   SER   9           HG       SER   9   4.848  -6.992  -3.589
   76    QB   SER   9           QB       SER   9   6.752  -5.725  -3.918
   77    H    GLY  10           HN       GLY  10   4.907  -3.615  -1.556
   78   1HA   GLY  10          1HA       GLY  10   6.274  -2.854   0.207
   79   2HA   GLY  10          2HA       GLY  10   7.586  -2.488  -0.902
   80    QA   GLY  10           QA       GLY  10   6.930  -2.671  -0.348
   81    H    GLN  11           HN       GLN  11   4.476  -1.365  -1.980
   82    HA   GLN  11           HA       GLN  11   5.267   1.408  -1.350
   83   1HB   GLN  11          2HB       GLN  11   4.546   0.387  -3.742
   84   2HB   GLN  11          3HB       GLN  11   2.910   0.560  -3.045
   85   1HG   GLN  11          2HG       GLN  11   3.193   2.994  -2.829
   86   2HG   GLN  11          3HG       GLN  11   4.910   2.827  -3.305
   87   1HE2  GLN  11          2HE2      GLN  11   4.176   3.150  -6.711
   88   2HE2  GLN  11          1HE2      GLN  11   5.208   3.463  -5.346
   89    QB   GLN  11           QB       GLN  11   3.728   0.474  -3.394
   90    QG   GLN  11           QG       GLN  11   4.051   2.910  -3.067
   91    QE2  GLN  11           QE2      GLN  11   4.692   3.307  -6.029
   92    H    ASN  12           HN       ASN  12   3.439   2.905  -0.813
   93    HA   ASN  12           HA       ASN  12   1.143   1.676   0.532
   94   1HB   ASN  12          2HB       ASN  12   1.568   2.442   2.724
   95   2HB   ASN  12          3HB       ASN  12   3.046   1.640   2.198
   96   1HD2  ASN  12          2HD2      ASN  12   4.055   4.750   3.934
   97   2HD2  ASN  12          1HD2      ASN  12   3.246   3.226   4.352
   98    QB   ASN  12           QB       ASN  12   2.307   2.041   2.461
   99    QD2  ASN  12           QD2      ASN  12   3.650   3.988   4.143
  100    H    LEU  13           HN       LEU  13  -0.001   3.753   1.793
  101    HA   LEU  13           HA       LEU  13  -1.342   5.548   1.288
  102   1HB   LEU  13          2HB       LEU  13   1.304   6.461   0.159
  103   2HB   LEU  13          3HB       LEU  13  -0.113   7.425  -0.148
  104    HG   LEU  13           HG       LEU  13   1.331   8.050   1.813
  105   1HD1  LEU  13          1HD1      LEU  13  -0.970   8.903   1.379
  106   2HD1  LEU  13          2HD1      LEU  13  -1.592   7.632   2.509
  107   3HD1  LEU  13          3HD1      LEU  13  -0.466   8.910   3.100
  108   1HD2  LEU  13          3HD2      LEU  13   1.660   5.889   2.903
  109   2HD2  LEU  13          1HD2      LEU  13   0.824   7.012   3.988
  110   3HD2  LEU  13          2HD2      LEU  13  -0.093   5.727   3.197
  111    QB   LEU  13           QB       LEU  13   0.596   6.943   0.006
  112    QD1  LEU  13           QD1      LEU  13  -1.009   8.482   2.329
  113    QD2  LEU  13           QD2      LEU  13   0.797   6.209   3.363
  114    QQD  LEU  13           QQD      LEU  13  -0.106   7.346   2.846
  115    H    CYS  14           HN       CYS  14  -1.551   3.185  -0.241
  116    HA   CYS  14           HA       CYS  14  -3.151   4.274  -2.371
  117   1HB   CYS  14          2HB       CYS  14  -2.140   2.485  -3.996
  118   2HB   CYS  14          3HB       CYS  14  -1.457   4.095  -3.824
  119    QB   CYS  14           QB       CYS  14  -1.798   3.290  -3.910
  120    H    LEU  15           HN       LEU  15  -4.771   2.879  -3.050
  121    HA   LEU  15           HA       LEU  15  -6.039   1.390  -0.978
  122   1HB   LEU  15          2HB       LEU  15  -6.736   1.497  -3.943
  123   2HB   LEU  15          3HB       LEU  15  -7.797   1.013  -2.600
  124    HG   LEU  15           HG       LEU  15  -6.744   3.808  -3.116
  125   1HD1  LEU  15          1HD1      LEU  15  -9.520   2.570  -3.186
  126   2HD1  LEU  15          2HD1      LEU  15  -9.173   4.295  -3.356
  127   3HD1  LEU  15          3HD1      LEU  15  -8.579   3.153  -4.576
  128   1HD2  LEU  15          3HD2      LEU  15  -8.182   2.534  -0.781
  129   2HD2  LEU  15          1HD2      LEU  15  -6.752   3.616  -0.758
  130   3HD2  LEU  15          2HD2      LEU  15  -8.383   4.277  -1.151
  131    QB   LEU  15           QB       LEU  15  -7.267   1.255  -3.272
  132    QD1  LEU  15           QD1      LEU  15  -9.091   3.340  -3.706
  133    QD2  LEU  15           QD2      LEU  15  -7.772   3.476  -0.897
  134    QQD  LEU  15           QQD      LEU  15  -8.432   3.408  -2.301
  135    H    CYS  16           HN       CYS  16  -5.342  -0.528  -0.260
  136    HA   CYS  16           HA       CYS  16  -3.875  -2.231  -2.277
  137   1HB   CYS  16          2HB       CYS  16  -2.741  -1.574  -0.227
  138   2HB   CYS  16          3HB       CYS  16  -3.954  -2.457   0.715
  139    QB   CYS  16           QB       CYS  16  -3.347  -2.016   0.244
  140    H    GLU  17           HN       GLU  17  -6.112  -2.618   0.475
  141    HA   GLU  17           HA       GLU  17  -7.498  -4.851  -0.932
  142   1HB   GLU  17          2HB       GLU  17  -8.159  -5.365   1.522
  143   2HB   GLU  17          3HB       GLU  17  -6.574  -5.844   0.910
  144   1HG   GLU  17          2HG       GLU  17  -5.431  -4.098   2.059
  145   2HG   GLU  17          3HG       GLU  17  -6.947  -3.232   2.423
  146    QB   GLU  17           QB       GLU  17  -7.367  -5.604   1.216
  147    QG   GLU  17           QG       GLU  17  -6.189  -3.665   2.241
  148    H    ASP  18           HN       GLY  18  -9.022  -3.664  -2.035
  149   1HA   ASP  18          1HA       GLY  18 -11.181  -2.827  -2.239
  150   2HA   ASP  18          2HA       GLY  18 -11.330  -2.826  -0.474
  151    QA   ASP  18           QA       GLY  18 -11.256  -2.827  -1.357
  152    H    SER  19           HN       SER  19 -12.102  -0.696  -0.270
  153    HA   SER  19           HA       SER  19 -10.627   1.539  -1.483
  154   1HB   SER  19          2HB       SER  19 -13.319   1.099  -0.396
  155   2HB   SER  19          3HB       SER  19 -12.584   2.455   0.447
  156    HG   SER  19           HG       SER  19 -13.051   2.149  -2.340
  157    QB   SER  19           QB       SER  19 -12.951   1.777   0.025
  158    H    ASN  20           HN       ASN  20  -9.976  -0.358   1.097
  159    HA   ASN  20           HA       ASN  20  -9.287   1.731   3.017
  160   1HB   ASN  20          2HB       ASN  20  -8.357  -1.124   3.187
  161   2HB   ASN  20          3HB       ASN  20  -8.593   0.045   4.490
  162   1HD2  ASN  20          2HD2      ASN  20 -11.654  -2.323   3.184
  163   2HD2  ASN  20          1HD2      ASN  20 -10.088  -2.388   2.407
  164    QB   ASN  20           QB       ASN  20  -8.475  -0.540   3.839
  165    QD2  ASN  20           QD2      ASN  20 -10.871  -2.356   2.796
  166    H    VAL  21           HN       VAL  21  -7.460   2.914   2.773
  167    HA   VAL  21           HA       VAL  21  -5.426   2.182   0.856
  168    HB   VAL  21           HB       VAL  21  -6.084   4.459   1.259
  169   1HG1  VAL  21          3HG1      VAL  21  -4.747   4.248   3.977
  170   2HG1  VAL  21          1HG1      VAL  21  -5.240   5.773   3.166
  171   3HG1  VAL  21          2HG1      VAL  21  -6.490   4.585   3.659
  172   1HG2  VAL  21          1HG2      VAL  21  -3.582   3.561   0.730
  173   2HG2  VAL  21          2HG2      VAL  21  -4.068   5.256   0.625
  174   3HG2  VAL  21          3HG2      VAL  21  -3.262   4.646   2.100
  175    QG1  VAL  21           QG1      VAL  21  -5.492   4.869   3.601
  176    QG2  VAL  21           QG2      VAL  21  -3.637   4.488   1.152
  177    QQG  VAL  21           QQG      VAL  21  -4.565   4.678   2.376
  178    H    CYS  22           HN       CYS  22  -3.290   1.454   1.201
  179    HA   CYS  22           HA       CYS  22  -2.853   0.086   3.740
  180   1HB   CYS  22          2HB       CYS  22  -1.959  -0.715   1.554
  181   2HB   CYS  22          3HB       CYS  22  -0.745   0.587   1.630
  182    QB   CYS  22           QB       CYS  22  -1.352  -0.064   1.592
  183    H    GLY  23           HN       GLY  23  -3.003   1.476   5.280
  184   1HA   GLY  23          1HA       GLY  23  -2.171   4.023   5.740
  185   2HA   GLY  23          2HA       GLY  23  -2.284   2.771   6.986
  186    QA   GLY  23           QA       GLY  23  -2.227   3.397   6.363
  187    H    GLN  24           HN       GLN  24  -0.418   4.968   7.018
  188    HA   GLN  24           HA       GLN  24   2.049   4.195   6.011
  189   1HB   GLN  24          2HB       GLN  24   1.078   6.495   7.009
  190   2HB   GLN  24          3HB       GLN  24   1.914   5.938   8.470
  191   1HG   GLN  24          2HG       GLN  24   3.833   6.773   7.596
  192   2HG   GLN  24          3HG       GLN  24   3.779   5.543   6.330
  193   1HE2  GLN  24          2HE2      GLN  24   2.342   9.323   5.480
  194   2HE2  GLN  24          1HE2      GLN  24   2.205   8.708   7.117
  195    QB   GLN  24           QB       GLN  24   1.496   6.216   7.740
  196    QG   GLN  24           QG       GLN  24   3.806   6.158   6.963
  197    QE2  GLN  24           QE2      GLN  24   2.273   9.015   6.298
  198    H    GLY  25           HN       GLY  25   3.947   3.280   7.090
  199   1HA   GLY  25          1HA       GLY  25   5.055   1.996   8.700
  200   2HA   GLY  25          2HA       GLY  25   3.611   1.956   9.712
  201    QA   GLY  25           QA       GLY  25   4.333   1.976   9.206
  202    H    ASN  26           HN       ASN  26   2.572   1.274   6.617
  203    HA   ASN  26           HA       ASN  26   3.055  -1.622   6.715
  204   1HB   ASN  26          2HB       ASN  26   0.479  -0.248   5.797
  205   2HB   ASN  26          3HB       ASN  26   0.727  -1.952   6.051
  206   1HD2  ASN  26          2HD2      ASN  26  -0.911  -1.681   9.116
  207   2HD2  ASN  26          1HD2      ASN  26  -0.777  -2.497   7.567
  208    QB   ASN  26           QB       ASN  26   0.603  -1.100   5.924
  209    QD2  ASN  26           QD2      ASN  26  -0.844  -2.089   8.342
  210    H    LYS  27           HN       LYS  27   2.749  -2.624   4.472
  211    HA   LYS  27           HA       LYS  27   3.022  -0.765   2.238
  212   1HB   LYS  27          2HB       LYS  27   4.702  -3.265   2.196
  213   2HB   LYS  27          3HB       LYS  27   4.854  -1.720   1.343
  214   1HG   LYS  27          2HG       LYS  27   5.456  -0.672   3.501
  215   2HG   LYS  27          3HG       LYS  27   5.469  -2.291   4.226
  216   1HD   LYS  27          2HD       LYS  27   7.276  -1.469   1.926
  217   2HD   LYS  27          3HD       LYS  27   7.723  -1.337   3.629
  218   1HE   LYS  27          2HE       LYS  27   7.391  -3.763   3.960
  219   2HE   LYS  27          3HE       LYS  27   6.980  -3.962   2.252
  220   1HZ   LYS  27          1HZ       LYS  27   9.547  -2.920   3.259
  221   2HZ   LYS  27          2HZ       LYS  27   9.290  -4.470   2.755
  222   3HZ   LYS  27          3HZ       LYS  27   9.174  -3.221   1.682
  223    QB   LYS  27           QB       LYS  27   4.778  -2.492   1.769
  224    QG   LYS  27           QG       LYS  27   5.462  -1.481   3.863
  225    QD   LYS  27           QD       LYS  27   7.500  -1.403   2.777
  226    QE   LYS  27           QE       LYS  27   7.185  -3.862   3.106
  227    QZ   LYS  27           QZ       LYS  27   9.337  -3.537   2.565
  228    H    CYS  28           HN       CYS  28   2.502  -1.774   0.160
  229    HA   CYS  28           HA       CYS  28   0.524  -3.982   0.472
  230   1HB   CYS  28          2HB       CYS  28  -0.219  -1.770  -0.482
  231   2HB   CYS  28          3HB       CYS  28   0.908  -2.061  -1.827
  232    QB   CYS  28           QB       CYS  28   0.344  -1.915  -1.155
  233    H    ILE  29           HN       ILE  29   1.282  -5.982  -0.110
  234    HA   ILE  29           HA       ILE  29   3.590  -6.093  -1.978
  235    HB   ILE  29           HB       ILE  29   2.255  -8.011  -0.103
  236   1HG1  ILE  29          2HG1      ILE  29   4.389  -8.255   0.797
  237   2HG1  ILE  29          3HG1      ILE  29   5.156  -7.348  -0.531
  238   1HG2  ILE  29          3HG2      ILE  29   4.092  -8.625  -2.474
  239   2HG2  ILE  29          1HG2      ILE  29   3.869  -9.739  -1.053
  240   3HG2  ILE  29          2HG2      ILE  29   2.457  -9.350  -2.121
  241   1HD1  ILE  29          1HD1      ILE  29   3.211  -6.106   1.448
  242   2HD1  ILE  29          2HD1      ILE  29   4.968  -6.143   1.691
  243   3HD1  ILE  29          3HD1      ILE  29   4.300  -5.268   0.309
  244    QG1  ILE  29           QG1      ILE  29   4.773  -7.802   0.133
  245    QG2  ILE  29           QG2      ILE  29   3.473  -9.238  -1.883
  246    QD1  ILE  29           QD1      ILE  29   4.160  -5.839   1.149
  247    H    LEU  30           HN       LEU  30   3.053  -5.784  -4.043
  248    HA   LEU  30           HA       LEU  30   0.417  -6.214  -5.091
  249   1HB   LEU  30          2HB       LEU  30   3.073  -5.333  -6.058
  250   2HB   LEU  30          3HB       LEU  30   2.246  -6.342  -7.235
  251    HG   LEU  30           HG       LEU  30   1.859  -3.924  -7.462
  252   1HD1  LEU  30          2HD1      LEU  30  -0.602  -5.641  -7.082
  253   2HD1  LEU  30          3HD1      LEU  30  -0.557  -4.080  -7.924
  254   3HD1  LEU  30          1HD1      LEU  30   0.391  -5.444  -8.541
  255   1HD2  LEU  30          2HD2      LEU  30   1.099  -4.019  -4.648
  256   2HD2  LEU  30          3HD2      LEU  30   1.301  -2.637  -5.695
  257   3HD2  LEU  30          1HD2      LEU  30  -0.262  -3.449  -5.618
  258    QB   LEU  30           QB       LEU  30   2.659  -5.838  -6.647
  259    QD1  LEU  30           QD1      LEU  30  -0.256  -5.055  -7.849
  260    QD2  LEU  30           QD2      LEU  30   0.713  -3.368  -5.320
  261    QQD  LEU  30           QQD      LEU  30   0.228  -4.212  -6.585
  262    H    GLY  31           HN       GLY  31  -0.503  -8.023  -5.938
  263   1HA   GLY  31          1HA       GLY  31   0.428 -10.537  -5.096
  264   2HA   GLY  31          2HA       GLY  31  -0.776 -10.283  -6.359
  265    QA   GLY  31           QA       GLY  31  -0.174 -10.410  -5.728
  266    H    SER  32           HN       SER  32   1.650 -12.138  -6.046
  267    HA   SER  32           HA       SER  32   2.860 -11.608  -8.757
  268   1HB   SER  32          2HB       SER  32   4.192 -11.942  -6.064
  269   2HB   SER  32          3HB       SER  32   5.023 -12.588  -7.501
  270    HG   SER  32           HG       SER  32   4.995 -10.579  -8.477
  271    QB   SER  32           QB       SER  32   4.608 -12.265  -6.783
  272    H    ASN  33           HN       ASP  33   0.720 -13.285  -8.433
  273    HA   ASN  33           HA       ASP  33   1.246 -15.660  -9.721
  274   1HB   ASN  33          2HB       ASP  33   1.864 -15.895  -6.755
  275   2HB   ASN  33          3HB       ASP  33   0.961 -17.212  -7.477
  276    QB   ASN  33           QB       ASP  33   1.413 -16.553  -7.116
  277    H    GLY  34           HN       GLY  34  -0.762 -13.938  -9.940
  278   1HA   GLY  34          1HA       GLY  34  -3.059 -13.798 -10.005
  279   2HA   GLY  34          2HA       GLY  34  -3.113 -15.481  -9.467
  280    QA   GLY  34           QA       GLY  34  -3.086 -14.640  -9.736
  281    H    GLU  35           HN       GLU  35  -1.375 -13.888  -7.091
  282    HA   GLU  35           HA       GLU  35  -3.521 -13.891  -5.223
  283   1HB   GLU  35          2HB       GLU  35  -0.615 -12.964  -5.241
  284   2HB   GLU  35          3HB       GLU  35  -1.631 -12.598  -3.855
  285   1HG   GLU  35          2HG       GLU  35  -1.178 -15.403  -4.963
  286   2HG   GLU  35          3HG       GLU  35  -0.386 -14.717  -3.530
  287    QB   GLU  35           QB       GLU  35  -1.123 -12.781  -4.548
  288    QG   GLU  35           QG       GLU  35  -0.782 -15.060  -4.247
  289    H    LYS  36           HN       LYS  36  -4.127 -12.070  -3.865
  290    HA   LYS  36           HA       LYS  36  -4.742  -9.693  -5.547
  291   1HB   LYS  36          2HB       LYS  36  -5.894 -10.540  -2.865
  292   2HB   LYS  36          3HB       LYS  36  -6.437  -9.224  -3.902
  293   1HG   LYS  36          2HG       LYS  36  -6.456 -11.542  -5.589
  294   2HG   LYS  36          3HG       LYS  36  -7.037 -12.097  -4.022
  295   1HD   LYS  36          2HD       LYS  36  -8.950 -11.411  -5.288
  296   2HD   LYS  36          3HD       LYS  36  -8.693 -10.191  -4.036
  297   1HE   LYS  36          2HE       LYS  36  -7.132  -9.283  -6.233
  298   2HE   LYS  36          3HE       LYS  36  -8.539  -9.990  -7.012
  299   1HZ   LYS  36          1HZ       LYS  36  -8.619  -7.941  -4.895
  300   2HZ   LYS  36          2HZ       LYS  36  -8.774  -7.633  -6.512
  301   3HZ   LYS  36          3HZ       LYS  36  -9.931  -8.529  -5.731
  302    QB   LYS  36           QB       LYS  36  -6.165  -9.882  -3.384
  303    QG   LYS  36           QG       LYS  36  -6.747 -11.819  -4.805
  304    QD   LYS  36           QD       LYS  36  -8.821 -10.801  -4.662
  305    QE   LYS  36           QE       LYS  36  -7.835  -9.636  -6.623
  306    QZ   LYS  36           QZ       LYS  36  -9.108  -8.034  -5.713
  307    H    ASN  37           HN       ASN  37  -4.681  -7.613  -4.355
  308    HA   ASN  37           HA       ASN  37  -2.076  -7.001  -3.381
  309   1HB   ASN  37          2HB       ASN  37  -4.745  -5.641  -3.728
  310   2HB   ASN  37          3HB       ASN  37  -3.698  -4.968  -2.494
  311   1HD2  ASN  37          2HD2      ASN  37  -2.840  -2.959  -5.383
  312   2HD2  ASN  37          1HD2      ASN  37  -4.157  -3.138  -4.224
  313    QB   ASN  37           QB       ASN  37  -4.222  -5.304  -3.111
  314    QD2  ASN  37           QD2      ASN  37  -3.499  -3.048  -4.803
  315    H    GLN  38           HN       GLN  38  -1.187  -7.191  -1.416
  316    HA   GLN  38           HA       GLN  38  -2.947  -7.725   0.961
  317   1HB   GLN  38          2HB       GLN  38  -0.695  -8.994   1.638
  318   2HB   GLN  38          3HB       GLN  38  -2.024  -9.751   0.774
  319   1HG   GLN  38          2HG       GLN  38  -0.929  -9.625  -1.345
  320   2HG   GLN  38          3HG       GLN  38   0.321  -8.587  -0.669
  321   1HE2  GLN  38          2HE2      GLN  38   0.721 -12.609  -0.421
  322   2HE2  GLN  38          1HE2      GLN  38  -0.660 -11.882  -1.215
  323    QB   GLN  38           QB       GLN  38  -1.359  -9.373   1.206
  324    QG   GLN  38           QG       GLN  38  -0.304  -9.106  -1.007
  325    QE2  GLN  38           QE2      GLN  38   0.030 -12.246  -0.818
  326    H    CYS  39           HN       CYS  39  -2.897  -5.960   2.260
  327    HA   CYS  39           HA       CYS  39  -0.508  -4.253   2.327
  328   1HB   CYS  39          2HB       CYS  39  -2.682  -3.155   2.367
  329   2HB   CYS  39          3HB       CYS  39  -3.166  -4.100   3.781
  330    QB   CYS  39           QB       CYS  39  -2.924  -3.627   3.074
  331    H    VAL  40           HN       VAL  40   1.153  -5.224   3.417
  332    HA   VAL  40           HA       VAL  40   0.588  -6.562   6.036
  333    HB   VAL  40           HB       VAL  40   2.493  -7.855   5.769
  334   1HG1  VAL  40          2HG1      VAL  40   0.467  -8.352   4.236
  335   2HG1  VAL  40          3HG1      VAL  40   1.546  -7.747   2.883
  336   3HG1  VAL  40          1HG1      VAL  40   2.055  -9.192   3.883
  337   1HG2  VAL  40          1HG2      VAL  40   3.340  -5.865   3.662
  338   2HG2  VAL  40          2HG2      VAL  40   4.253  -6.509   5.066
  339   3HG2  VAL  40          3HG2      VAL  40   3.974  -7.547   3.637
  340    QG1  VAL  40           QG1      VAL  40   1.356  -8.430   3.667
  341    QG2  VAL  40           QG2      VAL  40   3.855  -6.640   4.122
  342    QQG  VAL  40           QQG      VAL  40   2.606  -7.535   3.895
  343    H    THR  41           HN       THR  41   2.482  -6.194   7.645
  344    HA   THR  41           HA       THR  41   2.693  -3.350   8.052
  345    HB   THR  41           HB       THR  41   2.496  -4.872   9.900
  346    HG1  THR  41          1HG       THR  41   3.803  -3.718  11.123
  347   1HG2  THR  41          3HG2      THR  41   5.255  -5.906   9.066
  348   2HG2  THR  41          1HG2      THR  41   4.470  -6.247  10.623
  349   3HG2  THR  41          2HG2      THR  41   3.742  -6.838   9.118
  350    QG2  THR  41           QG2      THR  41   4.489  -6.330   9.603
  351    H    GLY  42           HN       GLY  42   4.881  -2.317   8.542
  352   1HA   GLY  42          1HA       GLY  42   7.301  -2.368   8.161
  353   2HA   GLY  42          2HA       GLY  42   7.023  -3.093   6.571
  354    QA   GLY  42           QA       GLY  42   7.162  -2.731   7.366
  355    H    GLU  43           HN       GLU  43   8.221  -0.371   7.455
  356    HA   GLU  43           HA       GLU  43   6.252   1.507   6.576
  357   1HB   GLU  43          2HB       GLU  43   8.413   1.647   8.196
  358   2HB   GLU  43          3HB       GLU  43   9.189   2.260   6.731
  359   1HG   GLU  43          2HG       GLU  43   7.838   4.206   6.744
  360   2HG   GLU  43          3HG       GLU  43   6.531   3.431   7.664
  361    QB   GLU  43           QB       GLU  43   8.801   1.953   7.464
  362    QG   GLU  43           QG       GLU  43   7.184   3.819   7.204
  363    H    GLY  44           HN       GLY  44   5.680   1.753   4.463
  364   1HA   GLY  44          1HA       GLY  44   7.568   0.964   2.283
  365   2HA   GLY  44          2HA       GLY  44   5.802   1.062   2.178
  366    QA   GLY  44           QA       GLY  44   6.685   1.013   2.230
  367    H    THR  45           HN       THR  45   7.003   2.213   0.181
  368    HA   THR  45           HA       THR  45   7.466   5.060   0.833
  369    HB   THR  45           HB       THR  45   9.049   3.669  -0.567
  370    HG1  THR  45          1HG       THR  45   9.514   5.497  -1.815
  371   1HG2  THR  45          2HG2      THR  45   7.259   2.701  -2.124
  372   2HG2  THR  45          3HG2      THR  45   7.116   4.380  -2.831
  373   3HG2  THR  45          1HG2      THR  45   8.699   3.484  -2.934
  374    QG2  THR  45           QG2      THR  45   7.691   3.521  -2.630
  375    HA   PRO  46           HA       PRO  46   3.313   5.859  -0.504
  376   1HB   PRO  46          2HB       PRO  46   3.338   8.578  -0.921
  377   2HB   PRO  46          3HB       PRO  46   3.359   7.809   0.701
  378   1HG   PRO  46          2HG       PRO  46   5.696   8.938  -0.865
  379   2HG   PRO  46          3HG       PRO  46   5.336   9.091   0.902
  380   1HD   PRO  46          2HD       PRO  46   7.121   7.250  -0.170
  381   2HD   PRO  46          3HD       PRO  46   6.210   6.949   1.347
  382    QB   PRO  46           QB       PRO  46   3.348   8.194  -0.110
  383    QG   PRO  46           QG       PRO  46   5.516   9.014   0.018
  384    QD   PRO  46           QD       PRO  46   6.665   7.100   0.588
  385    H    LYS  47           HN       LYS  47   2.206   5.846  -2.436
  386    HA   LYS  47           HA       LYS  47   3.530   5.280  -4.723
  387   1HB   LYS  47          2HB       LYS  47   1.213   4.783  -4.389
  388   2HB   LYS  47          3HB       LYS  47   0.750   6.484  -4.576
  389   1HG   LYS  47          2HG       LYS  47   1.198   6.495  -6.870
  390   2HG   LYS  47          3HG       LYS  47   2.438   5.256  -6.733
  391   1HD   LYS  47          2HD       LYS  47   0.477   3.584  -6.224
  392   2HD   LYS  47          3HD       LYS  47  -0.574   4.871  -6.809
  393   1HE   LYS  47          2HE       LYS  47  -0.055   3.515  -8.732
  394   2HE   LYS  47          3HE       LYS  47   0.902   4.980  -8.903
  395   1HZ   LYS  47          3HZ       LYS  47   2.581   3.298  -7.553
  396   2HZ   LYS  47          1HZ       LYS  47   1.792   2.282  -8.551
  397   3HZ   LYS  47          2HZ       LYS  47   2.626   3.532  -9.158
  398    QB   LYS  47           QB       LYS  47   0.982   5.634  -4.483
  399    QG   LYS  47           QG       LYS  47   1.818   5.875  -6.802
  400    QD   LYS  47           QD       LYS  47  -0.048   4.228  -6.517
  401    QE   LYS  47           QE       LYS  47   0.423   4.247  -8.817
  402    QZ   LYS  47           QZ       LYS  47   2.333   3.038  -8.421
  403    HA   PRO  48           HA       PRO  48   5.016   9.434  -5.686
  404   1HB   PRO  48          2HB       PRO  48   7.038   8.761  -7.445
  405   2HB   PRO  48          3HB       PRO  48   7.158   8.634  -5.667
  406   1HG   PRO  48          2HG       PRO  48   6.798   6.436  -7.668
  407   2HG   PRO  48          3HG       PRO  48   7.596   6.406  -6.067
  408   1HD   PRO  48          2HD       PRO  48   4.955   5.555  -6.715
  409   2HD   PRO  48          3HD       PRO  48   5.669   5.712  -5.083
  410    QB   PRO  48           QB       PRO  48   7.098   8.698  -6.556
  411    QG   PRO  48           QG       PRO  48   7.197   6.421  -6.867
  412    QD   PRO  48           QD       PRO  48   5.312   5.634  -5.899
  413    H    GLN  49           HN       GLN  49   5.337  10.733  -7.814
  414    HA   GLN  49           HA       GLN  49   3.088  10.374  -9.515
  415   1HB   GLN  49          2HB       GLN  49   5.581  12.121  -9.534
  416   2HB   GLN  49          3HB       GLN  49   4.628  11.961 -10.983
  417   1HG   GLN  49          2HG       GLN  49   3.622  13.796 -10.133
  418   2HG   GLN  49          3HG       GLN  49   2.544  12.534  -9.519
  419   1HE2  GLN  49          2HE2      GLN  49   3.115  14.824  -6.702
  420   2HE2  GLN  49          1HE2      GLN  49   2.218  14.745  -8.210
  421    QB   GLN  49           QB       GLN  49   5.105  12.041 -10.258
  422    QG   GLN  49           QG       GLN  49   3.083  13.165  -9.826
  423    QE2  GLN  49           QE2      GLN  49   2.667  14.785  -7.456
  424    H    SER  50           HN       SER  50   3.132  10.050 -11.828
  425    HA   SER  50           HA       SER  50   5.389   8.683 -13.055
  426   1HB   SER  50          2HB       SER  50   2.635   7.365 -12.852
  427   2HB   SER  50          3HB       SER  50   4.027   6.751 -13.751
  428    HG   SER  50           HG       SER  50   4.886   7.200 -11.238
  429    QB   SER  50           QB       SER  50   3.331   7.058 -13.302
  430    H    HIS  51           HN       HIS  51   5.492   9.516 -15.158
  431    HA   HIS  51           HA       HIS  51   3.261  10.219 -16.727
  432   1HB   HIS  51          2HB       HIS  51   3.853  12.683 -16.902
  433   2HB   HIS  51          3HB       HIS  51   2.995  12.216 -15.438
  434    HD1  HIS  51           HD1      HIS  51   4.350  12.325 -13.138
  435    HD2  HIS  51           HD2      HIS  51   6.373  13.663 -16.572
  436    HE1  HIS  51           HE1      HIS  51   6.394  13.634 -12.319
  437    QB   HIS  51           QB       HIS  51   3.424  12.449 -16.170
   
  Start of MODEL          18
 Raw file had 437 H/Q atoms
  Start of MODEL   18
    1    H    VAL   1           HN       VAL   1 -12.663  13.519  -1.156
    2    HA   VAL   1           HA       VAL   1  -9.743  13.430  -1.668
    3    HB   VAL   1           HB       VAL   1 -11.276  12.546   0.823
    4   1HG1  VAL   1          2HG1      VAL   1  -8.344  12.095   0.103
    5   2HG1  VAL   1          3HG1      VAL   1  -9.074  11.817   1.697
    6   3HG1  VAL   1          1HG1      VAL   1  -9.587  10.842   0.321
    7   1HG2  VAL   1          1HG2      VAL   1  -9.031  14.579   0.428
    8   2HG2  VAL   1          2HG2      VAL   1 -10.723  14.963   0.817
    9   3HG2  VAL   1          3HG2      VAL   1  -9.726  14.097   1.985
   10    QG1  VAL   1           QG1      VAL   1  -9.002  11.585   0.707
   11    QG2  VAL   1           QG2      VAL   1  -9.827  14.546   1.077
   12    QQG  VAL   1           QQG      VAL   1  -9.414  13.065   0.892
   13    H    VAL   2           HN       VAL   2  -9.333  11.734  -3.070
   14    HA   VAL   2           HA       VAL   2 -11.000   9.293  -2.955
   15    HB   VAL   2           HB       VAL   2 -10.374  10.933  -5.460
   16   1HG1  VAL   2          1HG1      VAL   2 -11.661   8.186  -5.195
   17   2HG1  VAL   2          2HG1      VAL   2 -11.575   9.147  -6.686
   18   3HG1  VAL   2          3HG1      VAL   2 -10.090   8.542  -5.947
   19   1HG2  VAL   2          1HG2      VAL   2 -13.010  10.163  -4.140
   20   2HG2  VAL   2          2HG2      VAL   2 -12.354  11.805  -4.315
   21   3HG2  VAL   2          3HG2      VAL   2 -12.865  10.906  -5.745
   22    QG1  VAL   2           QG1      VAL   2 -11.109   8.625  -5.943
   23    QG2  VAL   2           QG2      VAL   2 -12.743  10.958  -4.733
   24    QQG  VAL   2           QQG      VAL   2 -11.926   9.792  -5.338
   25    OH   TYR   3           OH       TYR   3  -5.393   9.494   2.612
   26    H    TYR   3           HN       TYR   3  -9.560   7.681  -2.658
   27    HA   TYR   3           HA       TYR   3  -6.685   8.102  -3.306
   28   1HB   TYR   3          2HB       TYR   3  -8.198   6.087  -1.616
   29   2HB   TYR   3          3HB       TYR   3  -6.519   5.859  -2.108
   30    HD1  TYR   3           HD1      TYR   3  -8.723   8.178  -0.179
   31    HD2  TYR   3           HD2      TYR   3  -4.711   6.808  -0.986
   32    HE1  TYR   3           HE1      TYR   3  -7.884   9.447   1.784
   33    HE2  TYR   3           HE2      TYR   3  -3.890   8.093   0.948
   34    HH   TYR   3           HH       TYR   3  -4.453   9.380   2.763
   35    QB   TYR   3           QB       TYR   3  -7.359   5.973  -1.862
   36    QR   TYR   3           QR       TYR   3  -6.302   8.131   0.392
   37    H    THR   4           HN       THR   4  -5.579   6.285  -4.345
   38    HA   THR   4           HA       THR   4  -7.197   4.708  -6.276
   39    HB   THR   4           HB       THR   4  -5.345   5.278  -7.915
   40    HG1  THR   4          1HG       THR   4  -3.950   6.163  -6.208
   41   1HG2  THR   4          2HG2      THR   4  -7.602   6.394  -8.003
   42   2HG2  THR   4          3HG2      THR   4  -6.964   7.694  -6.974
   43   3HG2  THR   4          1HG2      THR   4  -6.288   7.433  -8.588
   44    QG2  THR   4           QG2      THR   4  -6.951   7.173  -7.855
   45    H    ASP   5           HN       ASP   5  -5.921   2.899  -7.147
   46    HA   ASP   5           HA       ASP   5  -4.555   1.546  -5.044
   47   1HB   ASP   5          2HB       ASP   5  -5.166   0.867  -7.939
   48   2HB   ASP   5          3HB       ASP   5  -4.272  -0.227  -6.875
   49    QB   ASP   5           QB       ASP   5  -4.719   0.320  -7.407
   50    H    CYS   6           HN       CYS   6  -2.538   0.457  -5.211
   51    HA   CYS   6           HA       CYS   6  -0.360   2.157  -6.264
   52   1HB   CYS   6          2HB       CYS   6  -0.547  -0.102  -4.301
   53   2HB   CYS   6          3HB       CYS   6   0.937   0.030  -5.229
   54    QB   CYS   6           QB       CYS   6   0.195  -0.036  -4.765
   55    H    THR   7           HN       THR   7   1.599   0.743  -7.202
   56    HA   THR   7           HA       THR   7   0.597  -1.270  -9.112
   57    HB   THR   7           HB       THR   7   1.236  -0.263 -11.103
   58    HG1  THR   7          1HG       THR   7   3.117   0.653 -10.524
   59   1HG2  THR   7          2HG2      THR   7  -0.914   0.671 -10.347
   60   2HG2  THR   7          3HG2      THR   7  -0.082   2.036  -9.575
   61   3HG2  THR   7          1HG2      THR   7   0.004   1.821 -11.330
   62    QG2  THR   7           QG2      THR   7  -0.331   1.509 -10.418
   63    H    GLU   8           HN       GLU   8   2.524  -1.213  -6.767
   64    HA   GLU   8           HA       GLU   8   4.256  -3.112  -7.943
   65   1HB   GLU   8          2HB       GLU   8   6.418  -2.032  -7.227
   66   2HB   GLU   8          3HB       GLU   8   5.693  -1.304  -8.663
   67   1HG   GLU   8          2HG       GLU   8   4.840   0.562  -7.388
   68   2HG   GLU   8          3HG       GLU   8   5.341  -0.200  -5.856
   69    QB   GLU   8           QB       GLU   8   6.056  -1.668  -7.945
   70    QG   GLU   8           QG       GLU   8   5.090   0.181  -6.622
   71    H    SER   9           HN       SER   9   5.437  -4.250  -6.200
   72    HA   SER   9           HA       SER   9   4.073  -4.158  -3.657
   73   1HB   SER   9          2HB       SER   9   6.192  -5.896  -4.946
   74   2HB   SER   9          3HB       SER   9   5.921  -5.996  -3.207
   75    HG   SER   9           HG       SER   9   4.537  -7.430  -4.443
   76    QB   SER   9           QB       SER   9   6.057  -5.946  -4.076
   77    H    GLY  10           HN       GLY  10   4.963  -3.825  -1.660
   78   1HA   GLY  10          1HA       GLY  10   6.409  -2.980  -0.019
   79   2HA   GLY  10          2HA       GLY  10   7.687  -2.772  -1.233
   80    QA   GLY  10           QA       GLY  10   7.048  -2.876  -0.626
   81    H    GLN  11           HN       GLN  11   4.532  -1.533  -2.034
   82    HA   GLN  11           HA       GLN  11   5.533   1.216  -1.717
   83   1HB   GLN  11          2HB       GLN  11   3.947  -0.158  -3.697
   84   2HB   GLN  11          3HB       GLN  11   2.966   1.067  -2.916
   85   1HG   GLN  11          2HG       GLN  11   4.686   2.773  -3.399
   86   2HG   GLN  11          3HG       GLN  11   5.685   1.528  -4.174
   87   1HE2  GLN  11          2HE2      GLN  11   4.261   3.367  -6.921
   88   2HE2  GLN  11          1HE2      GLN  11   5.395   3.568  -5.621
   89    QB   GLN  11           QB       GLN  11   3.456   0.454  -3.307
   90    QG   GLN  11           QG       GLN  11   5.185   2.150  -3.786
   91    QE2  GLN  11           QE2      GLN  11   4.828   3.468  -6.271
   92    H    ASN  12           HN       ASN  12   3.723   2.855  -0.918
   93    HA   ASN  12           HA       ASN  12   1.511   1.678   0.550
   94   1HB   ASN  12          2HB       ASN  12   2.006   2.457   2.741
   95   2HB   ASN  12          3HB       ASN  12   3.390   1.523   2.205
   96   1HD2  ASN  12          2HD2      ASN  12   4.993   4.267   3.878
   97   2HD2  ASN  12          1HD2      ASN  12   4.083   2.834   4.269
   98    QB   ASN  12           QB       ASN  12   2.698   1.990   2.473
   99    QD2  ASN  12           QD2      ASN  12   4.538   3.551   4.074
  100    H    LEU  13           HN       LEU  13   0.386   3.622   1.803
  101    HA   LEU  13           HA       LEU  13  -0.867   5.421   1.624
  102   1HB   LEU  13          2HB       LEU  13   1.784   6.312   1.369
  103   2HB   LEU  13          3HB       LEU  13   0.969   7.178   0.085
  104    HG   LEU  13           HG       LEU  13   1.118   8.379   2.241
  105   1HD1  LEU  13          1HD1      LEU  13  -0.709   8.949   0.675
  106   2HD1  LEU  13          2HD1      LEU  13  -1.746   7.743   1.468
  107   3HD1  LEU  13          3HD1      LEU  13  -1.193   9.169   2.371
  108   1HD2  LEU  13          3HD2      LEU  13   0.732   6.234   3.655
  109   2HD2  LEU  13          1HD2      LEU  13   0.020   7.771   4.204
  110   3HD2  LEU  13          2HD2      LEU  13  -1.003   6.569   3.430
  111    QB   LEU  13           QB       LEU  13   1.377   6.745   0.727
  112    QD1  LEU  13           QD1      LEU  13  -1.216   8.620   1.505
  113    QD2  LEU  13           QD2      LEU  13  -0.084   6.858   3.763
  114    QQD  LEU  13           QQD      LEU  13  -0.650   7.739   2.634
  115    H    CYS  14           HN       CYS  14  -1.799   3.694   0.151
  116    HA   CYS  14           HA       CYS  14  -3.130   4.891  -2.104
  117   1HB   CYS  14          2HB       CYS  14  -2.141   3.326  -3.795
  118   2HB   CYS  14          3HB       CYS  14  -0.886   4.358  -3.110
  119    QB   CYS  14           QB       CYS  14  -1.514   3.842  -3.453
  120    H    LEU  15           HN       LEU  15  -4.540   3.130  -3.049
  121    HA   LEU  15           HA       LEU  15  -5.649   1.439  -0.912
  122   1HB   LEU  15          2HB       LEU  15  -6.460   1.629  -3.838
  123   2HB   LEU  15          3HB       LEU  15  -7.386   0.898  -2.520
  124    HG   LEU  15           HG       LEU  15  -6.671   3.833  -2.820
  125   1HD1  LEU  15          2HD1      LEU  15  -8.467   3.082  -4.307
  126   2HD1  LEU  15          3HD1      LEU  15  -9.375   2.490  -2.898
  127   3HD1  LEU  15          1HD1      LEU  15  -9.040   4.218  -3.074
  128   1HD2  LEU  15          2HD2      LEU  15  -7.929   2.261  -0.566
  129   2HD2  LEU  15          3HD2      LEU  15  -6.658   3.490  -0.478
  130   3HD2  LEU  15          1HD2      LEU  15  -8.333   3.973  -0.774
  131    QB   LEU  15           QB       LEU  15  -6.923   1.263  -3.179
  132    QD1  LEU  15           QD1      LEU  15  -8.961   3.263  -3.427
  133    QD2  LEU  15           QD2      LEU  15  -7.640   3.241  -0.606
  134    QQD  LEU  15           QQD      LEU  15  -8.300   3.252  -2.016
  135    H    CYS  16           HN       CYS  16  -5.691  -0.745  -0.811
  136    HA   CYS  16           HA       CYS  16  -3.769  -2.200  -2.560
  137   1HB   CYS  16          2HB       CYS  16  -2.529  -1.238  -0.601
  138   2HB   CYS  16          3HB       CYS  16  -3.625  -2.117   0.470
  139    QB   CYS  16           QB       CYS  16  -3.077  -1.678  -0.066
  140    H    GLU  17           HN       GLU  17  -5.665  -2.611   0.425
  141    HA   GLU  17           HA       GLU  17  -6.852  -5.156  -0.606
  142   1HB   GLU  17          2HB       GLU  17  -6.198  -4.080   2.108
  143   2HB   GLU  17          3HB       GLU  17  -7.739  -4.931   1.964
  144   1HG   GLU  17          2HG       GLU  17  -6.711  -6.911   1.116
  145   2HG   GLU  17          3HG       GLU  17  -5.159  -6.103   0.862
  146    QB   GLU  17           QB       GLU  17  -6.969  -4.506   2.036
  147    QG   GLU  17           QG       GLU  17  -5.935  -6.507   0.989
  148    H    ASP  18           HN       GLY  18  -8.346  -4.399  -2.029
  149   1HA   ASP  18          1HA       GLY  18 -10.260  -3.382  -2.797
  150   2HA   ASP  18          2HA       GLY  18 -10.862  -3.506  -1.131
  151    QA   ASP  18           QA       GLY  18 -10.561  -3.444  -1.964
  152    H    SER  19           HN       SER  19 -11.558  -1.519  -0.483
  153    HA   SER  19           HA       SER  19 -10.312   0.913  -1.590
  154   1HB   SER  19          2HB       SER  19 -12.846   0.462  -1.454
  155   2HB   SER  19          3HB       SER  19 -12.690   0.756   0.290
  156    HG   SER  19           HG       SER  19 -11.870   2.564  -1.755
  157    QB   SER  19           QB       SER  19 -12.768   0.609  -0.582
  158    H    ASN  20           HN       ASN  20  -9.367  -1.059   0.885
  159    HA   ASN  20           HA       ASN  20  -9.074   0.977   2.953
  160   1HB   ASN  20          2HB       ASN  20  -7.872  -1.791   2.799
  161   2HB   ASN  20          3HB       ASN  20  -7.996  -0.752   4.210
  162   1HD2  ASN  20          2HD2      ASN  20 -11.231  -1.892   5.048
  163   2HD2  ASN  20          1HD2      ASN  20  -9.768  -1.049   5.535
  164    QB   ASN  20           QB       ASN  20  -7.934  -1.271   3.504
  165    QD2  ASN  20           QD2      ASN  20 -10.499  -1.471   5.291
  166    H    VAL  21           HN       VAL  21  -7.421   2.345   3.066
  167    HA   VAL  21           HA       VAL  21  -5.279   2.261   1.098
  168    HB   VAL  21           HB       VAL  21  -6.463   4.369   1.732
  169   1HG1  VAL  21          2HG1      VAL  21  -6.518   4.010   4.222
  170   2HG1  VAL  21          3HG1      VAL  21  -4.766   4.326   4.257
  171   3HG1  VAL  21          1HG1      VAL  21  -5.887   5.584   3.712
  172   1HG2  VAL  21          2HG2      VAL  21  -3.432   4.226   1.981
  173   2HG2  VAL  21          3HG2      VAL  21  -4.415   4.535   0.532
  174   3HG2  VAL  21          1HG2      VAL  21  -4.344   5.732   1.827
  175    QG1  VAL  21           QG1      VAL  21  -5.724   4.640   4.064
  176    QG2  VAL  21           QG2      VAL  21  -4.064   4.831   1.447
  177    QQG  VAL  21           QQG      VAL  21  -4.894   4.736   2.755
  178    H    CYS  22           HN       CYS  22  -3.194   1.623   1.447
  179    HA   CYS  22           HA       CYS  22  -2.602   0.345   4.064
  180   1HB   CYS  22          2HB       CYS  22  -2.197  -0.689   1.743
  181   2HB   CYS  22          3HB       CYS  22  -0.798   0.386   1.638
  182    QB   CYS  22           QB       CYS  22  -1.498  -0.152   1.691
  183    H    GLY  23           HN       GLY  23  -2.318   2.089   5.452
  184   1HA   GLY  23          1HA       GLY  23  -1.249   4.596   4.703
  185   2HA   GLY  23          2HA       GLY  23  -1.586   4.025   6.340
  186    QA   GLY  23           QA       GLY  23  -1.417   4.311   5.521
  187    H    GLN  24           HN       GLN  24   0.395   5.636   6.517
  188    HA   GLN  24           HA       GLN  24   2.937   4.567   6.100
  189   1HB   GLN  24          2HB       GLN  24   2.231   6.328   8.470
  190   2HB   GLN  24          3HB       GLN  24   3.779   6.146   7.644
  191   1HG   GLN  24          2HG       GLN  24   3.166   8.093   6.640
  192   2HG   GLN  24          3HG       GLN  24   2.294   7.023   5.542
  193   1HE2  GLN  24          2HE2      GLN  24   0.279   9.559   8.038
  194   2HE2  GLN  24          1HE2      GLN  24   2.029   9.539   7.927
  195    QB   GLN  24           QB       GLN  24   3.005   6.237   8.057
  196    QG   GLN  24           QG       GLN  24   2.730   7.558   6.091
  197    QE2  GLN  24           QE2      GLN  24   1.154   9.549   7.982
  198    H    GLY  25           HN       GLY  25   4.281   3.301   7.543
  199   1HA   GLY  25          1HA       GLY  25   4.689   1.874   9.319
  200   2HA   GLY  25          2HA       GLY  25   3.126   2.200  10.042
  201    QA   GLY  25           QA       GLY  25   3.908   2.037   9.681
  202    H    ASN  26           HN       ASN  26   2.943   1.534   6.645
  203    HA   ASN  26           HA       ASN  26   2.388  -1.347   7.038
  204   1HB   ASN  26          2HB       ASN  26   0.526   0.385   5.396
  205   2HB   ASN  26          3HB       ASN  26   0.297  -1.264   5.962
  206   1HD2  ASN  26          2HD2      ASN  26  -0.940  -0.310   9.182
  207   2HD2  ASN  26          1HD2      ASN  26  -0.066  -1.594   8.353
  208    QB   ASN  26           QB       ASN  26   0.411  -0.440   5.679
  209    QD2  ASN  26           QD2      ASN  26  -0.503  -0.952   8.767
  210    H    LYS  27           HN       LYS  27   2.160  -2.387   4.831
  211    HA   LYS  27           HA       LYS  27   3.584  -1.005   2.637
  212   1HB   LYS  27          2HB       LYS  27   5.361  -2.176   3.942
  213   2HB   LYS  27          3HB       LYS  27   4.409  -3.683   3.812
  214   1HG   LYS  27          2HG       LYS  27   4.687  -3.090   1.231
  215   2HG   LYS  27          3HG       LYS  27   6.123  -2.295   1.930
  216   1HD   LYS  27          2HD       LYS  27   5.250  -5.224   2.294
  217   2HD   LYS  27          3HD       LYS  27   6.562  -4.683   1.251
  218   1HE   LYS  27          2HE       LYS  27   7.517  -3.602   3.470
  219   2HE   LYS  27          3HE       LYS  27   6.445  -4.743   4.286
  220   1HZ   LYS  27          1HZ       LYS  27   7.541  -6.527   3.082
  221   2HZ   LYS  27          2HZ       LYS  27   8.547  -5.451   2.344
  222   3HZ   LYS  27          3HZ       LYS  27   8.623  -5.664   3.969
  223    QB   LYS  27           QB       LYS  27   4.885  -2.930   3.877
  224    QG   LYS  27           QG       LYS  27   5.405  -2.692   1.581
  225    QD   LYS  27           QD       LYS  27   5.906  -4.954   1.772
  226    QE   LYS  27           QE       LYS  27   6.981  -4.172   3.878
  227    QZ   LYS  27           QZ       LYS  27   8.237  -5.881   3.132
  228    H    CYS  28           HN       CYS  28   2.614  -1.542   0.753
  229    HA   CYS  28           HA       CYS  28   0.576  -3.676   0.663
  230   1HB   CYS  28          2HB       CYS  28   0.075  -1.384  -0.191
  231   2HB   CYS  28          3HB       CYS  28   1.367  -1.585  -1.394
  232    QB   CYS  28           QB       CYS  28   0.721  -1.485  -0.792
  233    H    ILE  29           HN       ILE  29   1.112  -5.633  -0.148
  234    HA   ILE  29           HA       ILE  29   3.370  -5.945  -2.067
  235    HB   ILE  29           HB       ILE  29   2.126  -7.871  -0.076
  236   1HG1  ILE  29          2HG1      ILE  29   3.858  -6.451   0.891
  237   2HG1  ILE  29          3HG1      ILE  29   4.332  -8.150   0.835
  238   1HG2  ILE  29          2HG2      ILE  29   3.937  -8.507  -2.420
  239   2HG2  ILE  29          3HG2      ILE  29   3.777  -9.561  -0.999
  240   3HG2  ILE  29          1HG2      ILE  29   2.368  -9.218  -1.998
  241   1HD1  ILE  29          1HD1      ILE  29   5.726  -7.681  -1.201
  242   2HD1  ILE  29          2HD1      ILE  29   5.322  -5.955  -1.017
  243   3HD1  ILE  29          3HD1      ILE  29   6.241  -6.794   0.234
  244    QG1  ILE  29           QG1      ILE  29   4.095  -7.301   0.863
  245    QG2  ILE  29           QG2      ILE  29   3.361  -9.095  -1.806
  246    QD1  ILE  29           QD1      ILE  29   5.763  -6.810  -0.661
  247    H    LEU  30           HN       LEU  30   2.532  -5.978  -4.091
  248    HA   LEU  30           HA       LEU  30  -0.255  -6.759  -4.605
  249   1HB   LEU  30          2HB       LEU  30   2.123  -5.960  -6.291
  250   2HB   LEU  30          3HB       LEU  30   0.699  -6.671  -7.049
  251    HG   LEU  30           HG       LEU  30   0.431  -4.289  -5.188
  252   1HD1  LEU  30          3HD1      LEU  30   2.023  -3.761  -7.017
  253   2HD1  LEU  30          1HD1      LEU  30   0.801  -4.207  -8.214
  254   3HD1  LEU  30          2HD1      LEU  30   0.519  -2.825  -7.125
  255   1HD2  LEU  30          2HD2      LEU  30  -1.636  -5.630  -5.867
  256   2HD2  LEU  30          3HD2      LEU  30  -1.663  -3.942  -6.395
  257   3HD2  LEU  30          1HD2      LEU  30  -1.273  -5.237  -7.546
  258    QB   LEU  30           QB       LEU  30   1.411  -6.315  -6.670
  259    QD1  LEU  30           QD1      LEU  30   1.115  -3.597  -7.452
  260    QD2  LEU  30           QD2      LEU  30  -1.524  -4.936  -6.603
  261    QQD  LEU  30           QQD      LEU  30  -0.205  -4.267  -7.027
  262    H    GLY  31           HN       GLY  31  -0.642  -8.498  -6.200
  263   1HA   GLY  31          1HA       GLY  31  -0.082 -11.039  -5.334
  264   2HA   GLY  31          2HA       GLY  31  -0.429 -10.631  -7.019
  265    QA   GLY  31           QA       GLY  31  -0.255 -10.835  -6.176
  266    H    SER  32           HN       SER  32   1.478 -12.510  -5.525
  267    HA   SER  32           HA       SER  32   3.915 -12.148  -7.145
  268   1HB   SER  32          2HB       SER  32   3.747 -12.232  -4.105
  269   2HB   SER  32          3HB       SER  32   5.189 -12.759  -4.986
  270    HG   SER  32           HG       SER  32   5.671 -10.741  -5.388
  271    QB   SER  32           QB       SER  32   4.468 -12.496  -4.545
  272    H    ASN  33           HN       ASP  33   3.325 -13.886  -8.262
  273    HA   ASN  33           HA       ASP  33   3.413 -16.033  -8.895
  274   1HB   ASN  33          2HB       ASP  33   5.093 -16.388  -7.038
  275   2HB   ASN  33          3HB       ASP  33   3.758 -16.937  -6.012
  276    QB   ASN  33           QB       ASP  33   4.426 -16.663  -6.525
  277    H    GLY  34           HN       GLY  34   1.177 -15.106  -9.201
  278   1HA   GLY  34          1HA       GLY  34  -1.055 -15.517  -9.444
  279   2HA   GLY  34          2HA       GLY  34  -0.699 -17.182  -8.967
  280    QA   GLY  34           QA       GLY  34  -0.877 -16.349  -9.205
  281    H    GLU  35           HN       GLU  35  -0.161 -14.402  -6.893
  282    HA   GLU  35           HA       GLU  35  -2.361 -15.161  -5.063
  283   1HB   GLU  35          2HB       GLU  35   0.473 -14.639  -4.635
  284   2HB   GLU  35          3HB       GLU  35  -0.458 -13.374  -3.844
  285   1HG   GLU  35          2HG       GLU  35  -0.952 -16.369  -3.471
  286   2HG   GLU  35          3HG       GLU  35  -0.043 -15.333  -2.374
  287    QB   GLU  35           QB       GLU  35   0.008 -14.006  -4.239
  288    QG   GLU  35           QG       GLU  35  -0.497 -15.851  -2.923
  289    H    LYS  36           HN       LYS  36  -2.881 -13.067  -3.701
  290    HA   LYS  36           HA       LYS  36  -4.060 -11.101  -5.596
  291   1HB   LYS  36          2HB       LYS  36  -4.830 -11.797  -2.733
  292   2HB   LYS  36          3HB       LYS  36  -5.740 -10.795  -3.866
  293   1HG   LYS  36          2HG       LYS  36  -5.947 -12.919  -5.337
  294   2HG   LYS  36          3HG       LYS  36  -5.235 -13.798  -3.978
  295   1HD   LYS  36          2HD       LYS  36  -7.429 -14.119  -3.411
  296   2HD   LYS  36          3HD       LYS  36  -7.111 -12.621  -2.553
  297   1HE   LYS  36          2HE       LYS  36  -9.066 -11.981  -3.562
  298   2HE   LYS  36          3HE       LYS  36  -7.975 -11.513  -4.872
  299   1HZ   LYS  36          2HZ       LYS  36  -9.416 -14.086  -4.672
  300   2HZ   LYS  36          3HZ       LYS  36  -9.882 -12.815  -5.597
  301   3HZ   LYS  36          1HZ       LYS  36  -8.482 -13.607  -5.940
  302    QB   LYS  36           QB       LYS  36  -5.285 -11.296  -3.299
  303    QG   LYS  36           QG       LYS  36  -5.591 -13.358  -4.657
  304    QD   LYS  36           QD       LYS  36  -7.270 -13.370  -2.982
  305    QE   LYS  36           QE       LYS  36  -8.520 -11.747  -4.217
  306    QZ   LYS  36           QZ       LYS  36  -9.260 -13.503  -5.403
  307    H    ASN  37           HN       ASN  37  -4.484  -8.979  -4.215
  308    HA   ASN  37           HA       ASN  37  -1.866  -7.935  -3.480
  309   1HB   ASN  37          2HB       ASN  37  -3.801  -6.677  -4.697
  310   2HB   ASN  37          3HB       ASN  37  -4.520  -6.496  -3.084
  311   1HD2  ASN  37          2HD2      ASN  37  -2.469  -3.464  -3.773
  312   2HD2  ASN  37          1HD2      ASN  37  -4.045  -4.141  -4.126
  313    QB   ASN  37           QB       ASN  37  -4.160  -6.587  -3.891
  314    QD2  ASN  37           QD2      ASN  37  -3.257  -3.802  -3.950
  315    H    GLN  38           HN       GLN  38  -1.221  -7.282  -1.360
  316    HA   GLN  38           HA       GLN  38  -2.933  -8.047   0.972
  317   1HB   GLN  38          2HB       GLN  38  -0.015  -8.880   0.706
  318   2HB   GLN  38          3HB       GLN  38  -1.209  -9.349   1.927
  319   1HG   GLN  38          2HG       GLN  38  -2.480 -10.496   0.004
  320   2HG   GLN  38          3HG       GLN  38  -1.046 -10.206  -1.002
  321   1HE2  GLN  38          2HE2      GLN  38  -0.555 -13.615   0.295
  322   2HE2  GLN  38          1HE2      GLN  38  -1.561 -12.849  -0.913
  323    QB   GLN  38           QB       GLN  38  -0.612  -9.114   1.316
  324    QG   GLN  38           QG       GLN  38  -1.763 -10.351  -0.499
  325    QE2  GLN  38           QE2      GLN  38  -1.058 -13.232  -0.309
  326    H    CYS  39           HN       CYS  39  -2.884  -6.382   2.480
  327    HA   CYS  39           HA       CYS  39  -0.629  -4.388   2.418
  328   1HB   CYS  39          2HB       CYS  39  -2.821  -3.381   2.251
  329   2HB   CYS  39          3HB       CYS  39  -3.367  -4.283   3.670
  330    QB   CYS  39           QB       CYS  39  -3.094  -3.832   2.960
  331    H    VAL  40           HN       VAL  40   1.013  -5.172   3.652
  332    HA   VAL  40           HA       VAL  40   0.384  -6.571   6.206
  333    HB   VAL  40           HB       VAL  40   2.651  -7.290   6.249
  334   1HG1  VAL  40          3HG1      VAL  40   1.008  -8.579   4.877
  335   2HG1  VAL  40          1HG1      VAL  40   1.563  -7.711   3.432
  336   3HG1  VAL  40          2HG1      VAL  40   2.680  -8.763   4.318
  337   1HG2  VAL  40          3HG2      VAL  40   3.788  -5.314   5.254
  338   2HG2  VAL  40          1HG2      VAL  40   4.295  -6.829   4.500
  339   3HG2  VAL  40          2HG2      VAL  40   3.155  -5.775   3.654
  340    QG1  VAL  40           QG1      VAL  40   1.750  -8.351   4.209
  341    QG2  VAL  40           QG2      VAL  40   3.746  -5.973   4.469
  342    QQG  VAL  40           QQG      VAL  40   2.748  -7.162   4.339
  343    H    THR  41           HN       THR  41   1.727  -5.931   8.092
  344    HA   THR  41           HA       THR  41   1.828  -3.008   8.428
  345    HB   THR  41           HB       THR  41   0.851  -4.479  10.142
  346    HG1  THR  41          1HG       THR  41   1.891  -3.399  11.832
  347   1HG2  THR  41          3HG2      THR  41   2.653  -6.349   9.903
  348   2HG2  THR  41          1HG2      THR  41   3.669  -5.307  10.912
  349   3HG2  THR  41          2HG2      THR  41   2.121  -5.909  11.533
  350    QG2  THR  41           QG2      THR  41   2.814  -5.855  10.783
  351    H    GLY  42           HN       GLY  42   3.878  -1.917   9.009
  352   1HA   GLY  42          1HA       GLY  42   6.335  -2.643   9.452
  353   2HA   GLY  42          2HA       GLY  42   6.284  -3.214   7.777
  354    QA   GLY  42           QA       GLY  42   6.310  -2.929   8.614
  355    H    GLU  43           HN       GLU  43   6.928  -1.688   6.236
  356    HA   GLU  43           HA       GLU  43   5.825   0.905   6.219
  357   1HB   GLU  43          2HB       GLU  43   8.531   0.577   7.386
  358   2HB   GLU  43          3HB       GLU  43   8.599   1.540   5.906
  359   1HG   GLU  43          2HG       GLU  43   6.733   2.155   8.236
  360   2HG   GLU  43          3HG       GLU  43   8.302   2.901   7.901
  361    QB   GLU  43           QB       GLU  43   8.565   1.059   6.646
  362    QG   GLU  43           QG       GLU  43   7.518   2.528   8.069
  363    H    GLY  44           HN       GLY  44   6.343   1.946   4.091
  364   1HA   GLY  44          1HA       GLY  44   7.677   0.263   2.082
  365   2HA   GLY  44          2HA       GLY  44   5.925   0.489   1.889
  366    QA   GLY  44           QA       GLY  44   6.801   0.376   1.985
  367    H    THR  45           HN       THR  45   7.458   1.410  -0.124
  368    HA   THR  45           HA       THR  45   8.264   4.188   0.341
  369    HB   THR  45           HB       THR  45   9.597   2.721  -1.084
  370    HG1  THR  45          1HG       THR  45   9.819   4.846  -1.523
  371   1HG2  THR  45          2HG2      THR  45   7.816   1.387  -2.200
  372   2HG2  THR  45          3HG2      THR  45   7.335   2.840  -3.109
  373   3HG2  THR  45          1HG2      THR  45   8.935   2.128  -3.341
  374    QG2  THR  45           QG2      THR  45   8.029   2.118  -2.883
  375    HA   PRO  46           HA       PRO  46   4.200   5.720  -0.679
  376   1HB   PRO  46          2HB       PRO  46   4.653   8.352  -1.216
  377   2HB   PRO  46          3HB       PRO  46   4.857   7.651   0.418
  378   1HG   PRO  46          2HG       PRO  46   7.025   8.063  -1.674
  379   2HG   PRO  46          3HG       PRO  46   7.035   8.648   0.018
  380   1HD   PRO  46          2HD       PRO  46   8.254   6.333  -0.646
  381   2HD   PRO  46          3HD       PRO  46   7.281   6.409   0.855
  382    QB   PRO  46           QB       PRO  46   4.755   8.001  -0.399
  383    QG   PRO  46           QG       PRO  46   7.030   8.355  -0.828
  384    QD   PRO  46           QD       PRO  46   7.767   6.371   0.104
  385    H    LYS  47           HN       LYS  47   2.862   6.281  -2.479
  386    HA   LYS  47           HA       LYS  47   4.008   5.837  -5.125
  387   1HB   LYS  47          2HB       LYS  47   1.796   4.907  -4.469
  388   2HB   LYS  47          3HB       LYS  47   1.185   6.547  -4.272
  389   1HG   LYS  47          2HG       LYS  47   0.626   6.571  -6.452
  390   2HG   LYS  47          3HG       LYS  47   2.285   6.613  -6.851
  391   1HD   LYS  47          2HD       LYS  47   2.107   3.961  -6.462
  392   2HD   LYS  47          3HD       LYS  47   0.434   4.282  -6.916
  393   1HE   LYS  47          2HE       LYS  47   1.029   5.059  -9.079
  394   2HE   LYS  47          3HE       LYS  47   2.704   5.398  -8.639
  395   1HZ   LYS  47          3HZ       LYS  47   1.930   2.636  -8.418
  396   2HZ   LYS  47          1HZ       LYS  47   2.053   3.176  -9.925
  397   3HZ   LYS  47          2HZ       LYS  47   3.328   3.299  -8.939
  398    QB   LYS  47           QB       LYS  47   1.491   5.727  -4.370
  399    QG   LYS  47           QG       LYS  47   1.456   6.592  -6.652
  400    QD   LYS  47           QD       LYS  47   1.271   4.121  -6.689
  401    QE   LYS  47           QE       LYS  47   1.867   5.229  -8.859
  402    QZ   LYS  47           QZ       LYS  47   2.437   3.037  -9.094
  403    HA   PRO  48           HA       PRO  48   4.108  10.385  -5.827
  404   1HB   PRO  48          2HB       PRO  48   4.988  10.414  -8.404
  405   2HB   PRO  48          3HB       PRO  48   6.068  10.020  -7.035
  406   1HG   PRO  48          2HG       PRO  48   4.664   8.112  -8.909
  407   2HG   PRO  48          3HG       PRO  48   6.366   8.063  -8.370
  408   1HD   PRO  48          2HD       PRO  48   4.377   6.547  -7.252
  409   2HD   PRO  48          3HD       PRO  48   5.730   7.102  -6.273
  410    QB   PRO  48           QB       PRO  48   5.528  10.217  -7.720
  411    QG   PRO  48           QG       PRO  48   5.515   8.087  -8.640
  412    QD   PRO  48           QD       PRO  48   5.054   6.824  -6.763
  413    H    GLN  49           HN       GLN  49   2.748  11.831  -7.069
  414    HA   GLN  49           HA       GLN  49   0.248  10.581  -8.039
  415   1HB   GLN  49          2HB       GLN  49   0.022  12.252  -6.351
  416   2HB   GLN  49          3HB       GLN  49   1.028  13.410  -7.231
  417   1HG   GLN  49          2HG       GLN  49  -0.625  13.971  -8.719
  418   2HG   GLN  49          3HG       GLN  49  -1.415  12.386  -8.656
  419   1HE2  GLN  49          2HE2      GLN  49  -3.496  13.131  -5.883
  420   2HE2  GLN  49          1HE2      GLN  49  -2.762  11.834  -6.809
  421    QB   GLN  49           QB       GLN  49   0.525  12.831  -6.791
  422    QG   GLN  49           QG       GLN  49  -1.020  13.178  -8.687
  423    QE2  GLN  49           QE2      GLN  49  -3.129  12.483  -6.346
  424    H    SER  50           HN       SER  50  -0.432  10.770 -10.118
  425    HA   SER  50           HA       SER  50  -0.450  11.067 -12.334
  426   1HB   SER  50          2HB       SER  50   1.531  13.354 -11.960
  427   2HB   SER  50          3HB       SER  50   0.616  12.993 -13.415
  428    HG   SER  50           HG       SER  50  -0.564  13.499 -10.888
  429    QB   SER  50           QB       SER  50   1.074  13.174 -12.687
  430    H    HIS  51           HN       HIS  51   1.123  11.104 -14.337
  431    HA   HIS  51           HA       HIS  51   3.051   8.933 -13.983
  432   1HB   HIS  51          2HB       HIS  51   3.364   9.225 -16.435
  433   2HB   HIS  51          3HB       HIS  51   1.723   8.834 -15.934
  434    HD1  HIS  51           HD1      HIS  51   0.854   9.776 -18.281
  435    HD2  HIS  51           HD2      HIS  51   2.704  12.588 -15.753
  436    HE1  HIS  51           HE1      HIS  51   0.277  12.091 -19.191
  437    QB   HIS  51           QB       HIS  51   2.543   9.029 -16.185
   
  Start of MODEL          19
 Raw file had 437 H/Q atoms
  Start of MODEL   19
    1    H    VAL   1           HN       VAL   1 -10.888  13.597  -0.710
    2    HA   VAL   1           HA       VAL   1  -9.011  14.182  -2.933
    3    HB   VAL   1           HB       VAL   1  -7.351  12.801  -1.629
    4   1HG1  VAL   1          2HG1      VAL   1  -8.316  15.451  -0.476
    5   2HG1  VAL   1          3HG1      VAL   1  -6.844  14.632   0.078
    6   3HG1  VAL   1          1HG1      VAL   1  -6.984  15.141  -1.617
    7   1HG2  VAL   1          2HG2      VAL   1  -8.994  11.678  -0.083
    8   2HG2  VAL   1          3HG2      VAL   1  -7.606  12.418   0.724
    9   3HG2  VAL   1          1HG2      VAL   1  -9.178  13.232   0.772
   10    QG1  VAL   1           QG1      VAL   1  -7.381  15.074  -0.672
   11    QG2  VAL   1           QG2      VAL   1  -8.593  12.443   0.471
   12    QQG  VAL   1           QQG      VAL   1  -7.987  13.759  -0.100
   13    H    VAL   2           HN       VAL   2  -8.228  12.111  -4.025
   14    HA   VAL   2           HA       VAL   2 -10.139   9.860  -3.715
   15    HB   VAL   2           HB       VAL   2  -9.240  11.167  -6.323
   16   1HG1  VAL   2          1HG1      VAL   2 -10.700   8.532  -5.828
   17   2HG1  VAL   2          2HG1      VAL   2 -10.617   9.355  -7.398
   18   3HG1  VAL   2          3HG1      VAL   2  -9.136   8.758  -6.646
   19   1HG2  VAL   2          2HG2      VAL   2 -11.983  10.714  -5.055
   20   2HG2  VAL   2          3HG2      VAL   2 -11.180  12.281  -5.296
   21   3HG2  VAL   2          1HG2      VAL   2 -11.714  11.339  -6.694
   22    QG1  VAL   2           QG1      VAL   2 -10.151   8.881  -6.624
   23    QG2  VAL   2           QG2      VAL   2 -11.626  11.445  -5.681
   24    QQG  VAL   2           QQG      VAL   2 -10.888  10.163  -6.153
   25    OH   TYR   3           OH       TYR   3  -3.744   9.500   1.017
   26    H    TYR   3           HN       TYR   3  -9.159   7.884  -3.944
   27    HA   TYR   3           HA       TYR   3  -6.179   7.811  -4.074
   28   1HB   TYR   3          2HB       TYR   3  -8.164   6.581  -2.141
   29   2HB   TYR   3          3HB       TYR   3  -6.724   5.683  -2.597
   30    HD1  TYR   3           HD2      TYR   3  -4.487   6.350  -2.093
   31    HD2  TYR   3           HD1      TYR   3  -7.883   8.635  -0.733
   32    HE1  TYR   3           HE2      TYR   3  -3.033   7.567  -0.535
   33    HE2  TYR   3           HE1      TYR   3  -6.438   9.762   0.950
   34    HH   TYR   3           HH       TYR   3  -2.842   9.184   0.887
   35    QB   TYR   3           QB       TYR   3  -7.444   6.132  -2.369
   36    QR   TYR   3           QR       TYR   3  -5.460   8.078  -0.603
   37    H    THR   4           HN       THR   4  -5.380   5.719  -4.859
   38    HA   THR   4           HA       THR   4  -7.234   4.097  -6.462
   39    HB   THR   4           HB       THR   4  -5.788   4.321  -8.439
   40    HG1  THR   4          1HG       THR   4  -4.235   5.961  -8.484
   41   1HG2  THR   4          2HG2      THR   4  -7.777   5.860  -8.154
   42   2HG2  THR   4          3HG2      THR   4  -6.659   7.105  -7.548
   43   3HG2  THR   4          1HG2      THR   4  -6.496   6.500  -9.205
   44    QG2  THR   4           QG2      THR   4  -6.977   6.489  -8.302
   45    H    ASP   5           HN       ASP   5  -5.951   2.169  -7.358
   46    HA   ASP   5           HA       ASP   5  -4.582   0.884  -5.344
   47   1HB   ASP   5          2HB       ASP   5  -4.779   0.379  -8.327
   48   2HB   ASP   5          3HB       ASP   5  -3.903  -0.714  -7.250
   49    QB   ASP   5           QB       ASP   5  -4.341  -0.167  -7.788
   50    H    CYS   6           HN       CYS   6  -2.441  -0.071  -5.397
   51    HA   CYS   6           HA       CYS   6  -0.315   1.871  -6.107
   52   1HB   CYS   6          2HB       CYS   6  -0.439  -0.483  -4.265
   53   2HB   CYS   6          3HB       CYS   6   1.064  -0.223  -5.144
   54    QB   CYS   6           QB       CYS   6   0.312  -0.353  -4.705
   55    H    THR   7           HN       THR   7   1.711   0.975  -7.139
   56    HA   THR   7           HA       THR   7   0.988  -0.863  -9.388
   57    HB   THR   7           HB       THR   7   2.062   0.572 -10.927
   58    HG1  THR   7          1HG       THR   7   3.384   2.061 -10.311
   59   1HG2  THR   7          2HG2      THR   7  -0.358   1.087 -10.292
   60   2HG2  THR   7          3HG2      THR   7   0.262   2.363  -9.225
   61   3HG2  THR   7          1HG2      THR   7   0.548   2.458 -10.967
   62    QG2  THR   7           QG2      THR   7   0.151   1.970 -10.161
   63    H    GLU   8           HN       GLU   8   2.850  -0.858  -6.690
   64    HA   GLU   8           HA       GLU   8   4.631  -2.812  -7.837
   65   1HB   GLU   8          2HB       GLU   8   6.686  -1.764  -6.922
   66   2HB   GLU   8          3HB       GLU   8   6.032  -0.844  -8.290
   67   1HG   GLU   8          2HG       GLU   8   5.314   0.922  -6.976
   68   2HG   GLU   8          3HG       GLU   8   5.258  -0.060  -5.508
   69    QB   GLU   8           QB       GLU   8   6.359  -1.304  -7.606
   70    QG   GLU   8           QG       GLU   8   5.286   0.431  -6.242
   71    H    SER   9           HN       SER   9   5.828  -3.932  -6.016
   72    HA   SER   9           HA       SER   9   4.169  -4.047  -3.575
   73   1HB   SER   9          2HB       SER   9   6.470  -5.715  -4.665
   74   2HB   SER   9          3HB       SER   9   6.017  -5.792  -2.958
   75    HG   SER   9           HG       SER   9   4.978  -7.392  -4.297
   76    QB   SER   9           QB       SER   9   6.244  -5.753  -3.811
   77    H    GLY  10           HN       GLY  10   5.009  -3.753  -1.460
   78   1HA   GLY  10          1HA       GLY  10   6.659  -2.990   0.114
   79   2HA   GLY  10          2HA       GLY  10   7.798  -2.703  -1.189
   80    QA   GLY  10           QA       GLY  10   7.229  -2.846  -0.538
   81    H    GLN  11           HN       GLN  11   4.504  -1.572  -1.521
   82    HA   GLN  11           HA       GLN  11   5.491   1.172  -1.237
   83   1HB   GLN  11          2HB       GLN  11   4.604  -0.005  -3.490
   84   2HB   GLN  11          3HB       GLN  11   3.036   0.450  -2.803
   85   1HG   GLN  11          2HG       GLN  11   3.731   2.834  -2.802
   86   2HG   GLN  11          3HG       GLN  11   5.378   2.318  -3.228
   87   1HE2  GLN  11          2HE2      GLN  11   4.732   3.319  -6.444
   88   2HE2  GLN  11          1HE2      GLN  11   5.419   3.788  -4.904
   89    QB   GLN  11           QB       GLN  11   3.820   0.223  -3.146
   90    QG   GLN  11           QG       GLN  11   4.555   2.576  -3.015
   91    QE2  GLN  11           QE2      GLN  11   5.076   3.553  -5.674
   92    H    ASN  12           HN       ASN  12   3.676   2.782  -0.595
   93    HA   ASN  12           HA       ASN  12   1.498   1.500   0.967
   94   1HB   ASN  12          2HB       ASN  12   2.007   2.540   3.038
   95   2HB   ASN  12          3HB       ASN  12   3.472   1.720   2.499
   96   1HD2  ASN  12          2HD2      ASN  12   4.710   4.894   3.765
   97   2HD2  ASN  12          1HD2      ASN  12   4.027   3.390   4.384
   98    QB   ASN  12           QB       ASN  12   2.740   2.130   2.768
   99    QD2  ASN  12           QD2      ASN  12   4.368   4.142   4.074
  100    H    LEU  13           HN       LEU  13   0.211   3.411   2.101
  101    HA   LEU  13           HA       LEU  13  -1.220   5.022   1.800
  102   1HB   LEU  13          2HB       LEU  13   1.405   6.139   1.364
  103   2HB   LEU  13          3HB       LEU  13   0.324   6.964   0.277
  104    HG   LEU  13           HG       LEU  13   0.260   6.838   3.302
  105   1HD1  LEU  13          1HD1      LEU  13   0.543   8.968   1.154
  106   2HD1  LEU  13          2HD1      LEU  13   0.040   9.408   2.797
  107   3HD1  LEU  13          3HD1      LEU  13   1.601   8.593   2.541
  108   1HD2  LEU  13          3HD2      LEU  13  -2.055   7.501   1.497
  109   2HD2  LEU  13          1HD2      LEU  13  -2.043   6.577   3.012
  110   3HD2  LEU  13          2HD2      LEU  13  -1.874   8.319   3.064
  111    QB   LEU  13           QB       LEU  13   0.864   6.551   0.820
  112    QD1  LEU  13           QD1      LEU  13   0.728   8.990   2.164
  113    QD2  LEU  13           QD2      LEU  13  -1.991   7.466   2.524
  114    QQD  LEU  13           QQD      LEU  13  -0.631   8.228   2.344
  115    H    CYS  14           HN       CYS  14  -1.973   3.179   0.234
  116    HA   CYS  14           HA       CYS  14  -3.217   4.437  -2.070
  117   1HB   CYS  14          2HB       CYS  14  -2.208   2.863  -3.708
  118   2HB   CYS  14          3HB       CYS  14  -0.982   3.905  -2.986
  119    QB   CYS  14           QB       CYS  14  -1.595   3.384  -3.347
  120    H    LEU  15           HN       LEU  15  -4.588   2.742  -3.187
  121    HA   LEU  15           HA       LEU  15  -6.045   1.278  -1.106
  122   1HB   LEU  15          2HB       LEU  15  -6.564   1.408  -4.114
  123   2HB   LEU  15          3HB       LEU  15  -7.691   0.940  -2.845
  124    HG   LEU  15           HG       LEU  15  -6.595   3.695  -3.369
  125   1HD1  LEU  15          3HD1      LEU  15  -8.518   3.061  -4.727
  126   2HD1  LEU  15          1HD1      LEU  15  -9.424   2.622  -3.259
  127   3HD1  LEU  15          2HD1      LEU  15  -8.965   4.309  -3.546
  128   1HD2  LEU  15          2HD2      LEU  15  -7.956   2.570  -0.916
  129   2HD2  LEU  15          3HD2      LEU  15  -6.554   3.662  -1.020
  130   3HD2  LEU  15          1HD2      LEU  15  -8.186   4.269  -1.357
  131    QB   LEU  15           QB       LEU  15  -7.127   1.174  -3.479
  132    QD1  LEU  15           QD1      LEU  15  -8.969   3.330  -3.844
  133    QD2  LEU  15           QD2      LEU  15  -7.565   3.501  -1.098
  134    QQD  LEU  15           QQD      LEU  15  -8.267   3.415  -2.471
  135    H    CYS  16           HN       CYS  16  -5.626  -0.709  -0.502
  136    HA   CYS  16           HA       CYS  16  -4.015  -2.459  -2.358
  137   1HB   CYS  16          2HB       CYS  16  -2.754  -1.512  -0.391
  138   2HB   CYS  16          3HB       CYS  16  -3.906  -2.346   0.651
  139    QB   CYS  16           QB       CYS  16  -3.330  -1.929   0.130
  140    H    GLU  17           HN       GLU  17  -5.910  -2.623   0.624
  141    HA   GLU  17           HA       GLU  17  -7.416  -5.007  -0.316
  142   1HB   GLU  17          2HB       GLU  17  -6.630  -3.906   2.338
  143   2HB   GLU  17          3HB       GLU  17  -8.312  -4.444   2.231
  144   1HG   GLU  17          2HG       GLU  17  -6.883  -6.275   2.973
  145   2HG   GLU  17          3HG       GLU  17  -7.626  -6.634   1.408
  146    QB   GLU  17           QB       GLU  17  -7.471  -4.175   2.284
  147    QG   GLU  17           QG       GLU  17  -7.254  -6.455   2.190
  148    H    ASP  18           HN       GLY  18  -8.552  -3.879  -1.951
  149   1HA   ASP  18          1HA       GLY  18 -10.555  -2.979  -2.703
  150   2HA   ASP  18          2HA       GLY  18 -11.137  -3.038  -1.026
  151    QA   ASP  18           QA       GLY  18 -10.846  -3.008  -1.864
  152    H    SER  19           HN       SER  19 -11.930  -0.964  -0.657
  153    HA   SER  19           HA       SER  19 -10.527   1.371  -1.748
  154   1HB   SER  19          2HB       SER  19 -13.054   1.091  -1.640
  155   2HB   SER  19          3HB       SER  19 -12.930   1.311   0.121
  156    HG   SER  19           HG       SER  19 -13.364   3.278  -0.900
  157    QB   SER  19           QB       SER  19 -12.992   1.201  -0.759
  158    H    ASN  20           HN       ASN  20  -9.936  -0.569   0.959
  159    HA   ASN  20           HA       ASN  20  -9.527   1.580   2.892
  160   1HB   ASN  20          2HB       ASN  20  -8.500  -1.261   3.051
  161   2HB   ASN  20          3HB       ASN  20  -8.713  -0.102   4.361
  162   1HD2  ASN  20          2HD2      ASN  20 -11.924  -2.274   3.010
  163   2HD2  ASN  20          1HD2      ASN  20 -10.366  -2.338   2.179
  164    QB   ASN  20           QB       ASN  20  -8.606  -0.681   3.706
  165    QD2  ASN  20           QD2      ASN  20 -11.145  -2.306   2.595
  166    H    VAL  21           HN       VAL  21  -7.732   2.834   2.976
  167    HA   VAL  21           HA       VAL  21  -5.597   2.396   1.053
  168    HB   VAL  21           HB       VAL  21  -5.726   4.569   3.152
  169   1HG1  VAL  21          2HG1      VAL  21  -3.601   4.286   1.854
  170   2HG1  VAL  21          3HG1      VAL  21  -4.523   4.522   0.354
  171   3HG1  VAL  21          1HG1      VAL  21  -4.388   5.836   1.536
  172   1HG2  VAL  21          3HG2      VAL  21  -7.701   4.258   1.072
  173   2HG2  VAL  21          1HG2      VAL  21  -7.463   5.588   2.209
  174   3HG2  VAL  21          2HG2      VAL  21  -6.651   5.607   0.644
  175    QG1  VAL  21           QG1      VAL  21  -4.171   4.881   1.248
  176    QG2  VAL  21           QG2      VAL  21  -7.272   5.151   1.308
  177    QQG  VAL  21           QQG      VAL  21  -5.721   5.016   1.278
  178    H    CYS  22           HN       CYS  22  -3.502   1.680   1.539
  179    HA   CYS  22           HA       CYS  22  -3.029   0.532   4.177
  180   1HB   CYS  22          2HB       CYS  22  -2.266  -0.377   1.907
  181   2HB   CYS  22          3HB       CYS  22  -0.980   0.830   1.967
  182    QB   CYS  22           QB       CYS  22  -1.623   0.227   1.937
  183    H    GLY  23           HN       GLY  23  -2.957   2.222   5.708
  184   1HA   GLY  23          1HA       GLY  23  -1.680   4.706   5.511
  185   2HA   GLY  23          2HA       GLY  23  -2.016   3.842   7.014
  186    QA   GLY  23           QA       GLY  23  -1.848   4.274   6.262
  187    H    GLN  24           HN       GLN  24   0.318   5.549   6.702
  188    HA   GLN  24           HA       GLN  24   2.649   4.151   6.185
  189   1HB   GLN  24          2HB       GLN  24   2.026   6.377   8.167
  190   2HB   GLN  24          3HB       GLN  24   3.626   5.651   8.081
  191   1HG   GLN  24          2HG       GLN  24   3.988   7.358   6.695
  192   2HG   GLN  24          3HG       GLN  24   3.505   6.154   5.502
  193   1HE2  GLN  24          2HE2      GLN  24   1.692   9.584   5.267
  194   2HE2  GLN  24          1HE2      GLN  24   3.363   9.226   5.651
  195    QB   GLN  24           QB       GLN  24   2.826   6.014   8.124
  196    QG   GLN  24           QG       GLN  24   3.746   6.756   6.099
  197    QE2  GLN  24           QE2      GLN  24   2.528   9.405   5.459
  198    H    GLY  25           HN       GLY  25   4.231   3.146   7.459
  199   1HA   GLY  25          1HA       GLY  25   5.085   1.848   9.170
  200   2HA   GLY  25          2HA       GLY  25   3.577   1.969  10.088
  201    QA   GLY  25           QA       GLY  25   4.331   1.908   9.629
  202    H    ASN  26           HN       ASN  26   2.812   1.324   6.904
  203    HA   ASN  26           HA       ASN  26   2.889  -1.581   7.058
  204   1HB   ASN  26          2HB       ASN  26   0.579   0.131   5.983
  205   2HB   ASN  26          3HB       ASN  26   0.527  -1.590   6.227
  206   1HD2  ASN  26          2HD2      ASN  26  -0.882  -1.286   9.416
  207   2HD2  ASN  26          1HD2      ASN  26  -0.509  -2.300   8.026
  208    QB   ASN  26           QB       ASN  26   0.553  -0.730   6.105
  209    QD2  ASN  26           QD2      ASN  26  -0.696  -1.793   8.721
  210    H    LYS  27           HN       LYS  27   2.552  -2.554   4.863
  211    HA   LYS  27           HA       LYS  27   3.099  -0.764   2.632
  212   1HB   LYS  27          2HB       LYS  27   5.233  -1.360   2.347
  213   2HB   LYS  27          3HB       LYS  27   5.213  -2.103   3.939
  214   1HG   LYS  27          2HG       LYS  27   4.311  -4.187   2.714
  215   2HG   LYS  27          3HG       LYS  27   4.816  -3.350   1.235
  216   1HD   LYS  27          2HD       LYS  27   6.680  -4.632   1.645
  217   2HD   LYS  27          3HD       LYS  27   7.150  -3.218   2.603
  218   1HE   LYS  27          2HE       LYS  27   7.080  -4.401   4.554
  219   2HE   LYS  27          3HE       LYS  27   5.561  -5.199   4.169
  220   1HZ   LYS  27          1HZ       LYS  27   8.190  -6.026   3.147
  221   2HZ   LYS  27          2HZ       LYS  27   7.315  -6.771   4.323
  222   3HZ   LYS  27          3HZ       LYS  27   6.752  -6.743   2.784
  223    QB   LYS  27           QB       LYS  27   5.223  -1.731   3.143
  224    QG   LYS  27           QG       LYS  27   4.564  -3.768   1.974
  225    QD   LYS  27           QD       LYS  27   6.915  -3.925   2.124
  226    QE   LYS  27           QE       LYS  27   6.320  -4.800   4.361
  227    QZ   LYS  27           QZ       LYS  27   7.419  -6.513   3.418
  228    H    CYS  28           HN       CYS  28   2.393  -1.663   0.666
  229    HA   CYS  28           HA       CYS  28   0.513  -3.952   0.753
  230   1HB   CYS  28          2HB       CYS  28  -0.299  -1.719  -0.068
  231   2HB   CYS  28          3HB       CYS  28   0.928  -1.815  -1.343
  232    QB   CYS  28           QB       CYS  28   0.315  -1.767  -0.706
  233    H    ILE  29           HN       ILE  29   1.201  -5.855  -0.009
  234    HA   ILE  29           HA       ILE  29   3.476  -5.875  -1.963
  235    HB   ILE  29           HB       ILE  29   2.215  -7.965  -0.215
  236   1HG1  ILE  29          2HG1      ILE  29   4.507  -8.265   0.605
  237   2HG1  ILE  29          3HG1      ILE  29   5.001  -6.824  -0.317
  238   1HG2  ILE  29          1HG2      ILE  29   2.688  -9.038  -2.360
  239   2HG2  ILE  29          2HG2      ILE  29   4.360  -8.413  -2.314
  240   3HG2  ILE  29          3HG2      ILE  29   3.803  -9.589  -1.109
  241   1HD1  ILE  29          3HD1      ILE  29   2.797  -6.813   1.791
  242   2HD1  ILE  29          1HD1      ILE  29   4.511  -6.539   2.170
  243   3HD1  ILE  29          2HD1      ILE  29   3.663  -5.433   1.083
  244    QG1  ILE  29           QG1      ILE  29   4.754  -7.545   0.144
  245    QG2  ILE  29           QG2      ILE  29   3.617  -9.013  -1.928
  246    QD1  ILE  29           QD1      ILE  29   3.657  -6.262   1.681
  247    H    LEU  30           HN       LEU  30   2.910  -5.777  -4.061
  248    HA   LEU  30           HA       LEU  30   0.136  -6.146  -4.951
  249   1HB   LEU  30          2HB       LEU  30   2.544  -4.784  -5.954
  250   2HB   LEU  30          3HB       LEU  30   1.857  -5.827  -7.188
  251    HG   LEU  30           HG       LEU  30  -0.406  -4.826  -6.723
  252   1HD1  LEU  30          2HD1      LEU  30   0.227  -3.791  -4.498
  253   2HD1  LEU  30          3HD1      LEU  30   1.233  -2.638  -5.387
  254   3HD1  LEU  30          1HD1      LEU  30  -0.518  -2.660  -5.648
  255   1HD2  LEU  30          1HD2      LEU  30   1.835  -3.833  -8.285
  256   2HD2  LEU  30          2HD2      LEU  30   0.098  -3.821  -8.648
  257   3HD2  LEU  30          3HD2      LEU  30   0.827  -2.492  -7.739
  258    QB   LEU  30           QB       LEU  30   2.201  -5.306  -6.571
  259    QD1  LEU  30           QD1      LEU  30   0.314  -3.029  -5.178
  260    QD2  LEU  30           QD2      LEU  30   0.920  -3.382  -8.224
  261    QQD  LEU  30           QQD      LEU  30   0.617  -3.206  -6.701
  262    H    GLY  31           HN       GLY  31   0.119  -8.355  -4.107
  263   1HA   GLY  31          1HA       GLY  31  -0.243 -10.530  -4.798
  264   2HA   GLY  31          2HA       GLY  31   0.567 -10.231  -6.339
  265    QA   GLY  31           QA       GLY  31   0.162 -10.381  -5.569
  266    H    SER  32           HN       SER  32   0.892 -12.499  -4.454
  267    HA   SER  32           HA       SER  32   3.839 -12.357  -4.070
  268   1HB   SER  32          2HB       SER  32   3.618 -13.120  -1.752
  269   2HB   SER  32          3HB       SER  32   2.778 -11.566  -1.957
  270    HG   SER  32           HG       SER  32   1.621 -14.159  -1.896
  271    QB   SER  32           QB       SER  32   3.198 -12.343  -1.855
  272    H    ASN  33           HN       ASP  33   3.181 -13.657  -6.071
  273    HA   ASN  33           HA       ASP  33   3.652 -15.627  -7.056
  274   1HB   ASN  33          2HB       ASP  33   4.666 -16.394  -4.811
  275   2HB   ASN  33          3HB       ASP  33   3.134 -17.238  -4.538
  276    QB   ASN  33           QB       ASP  33   3.900 -16.816  -4.674
  277    H    GLY  34           HN       GLY  34   1.560 -14.605  -7.816
  278   1HA   GLY  34          1HA       GLY  34  -0.466 -14.969  -8.782
  279   2HA   GLY  34          2HA       GLY  34  -0.498 -16.594  -8.095
  280    QA   GLY  34           QA       GLY  34  -0.482 -15.781  -8.438
  281    H    GLU  35           HN       GLU  35  -0.039 -15.120  -5.309
  282    HA   GLU  35           HA       GLU  35  -2.737 -14.643  -4.539
  283   1HB   GLU  35          2HB       GLU  35  -0.011 -14.199  -3.411
  284   2HB   GLU  35          3HB       GLU  35  -1.272 -13.194  -2.708
  285   1HG   GLU  35          2HG       GLU  35  -2.293 -14.945  -1.671
  286   2HG   GLU  35          3HG       GLU  35  -1.994 -16.076  -3.005
  287    QB   GLU  35           QB       GLU  35  -0.642 -13.697  -3.060
  288    QG   GLU  35           QG       GLU  35  -2.144 -15.510  -2.338
  289    H    LYS  36           HN       LYS  36  -3.433 -12.571  -3.677
  290    HA   LYS  36           HA       LYS  36  -3.459 -10.517  -5.794
  291   1HB   LYS  36          2HB       LYS  36  -5.297 -11.019  -3.404
  292   2HB   LYS  36          3HB       LYS  36  -5.588  -9.817  -4.656
  293   1HG   LYS  36          2HG       LYS  36  -5.456 -12.837  -5.113
  294   2HG   LYS  36          3HG       LYS  36  -6.942 -11.940  -4.893
  295   1HD   LYS  36          2HD       LYS  36  -5.078 -11.011  -7.081
  296   2HD   LYS  36          3HD       LYS  36  -5.919 -12.539  -7.316
  297   1HE   LYS  36          2HE       LYS  36  -8.088 -11.511  -7.112
  298   2HE   LYS  36          3HE       LYS  36  -7.399  -9.987  -6.522
  299   1HZ   LYS  36          1HZ       LYS  36  -6.999 -11.087  -9.229
  300   2HZ   LYS  36          2HZ       LYS  36  -8.020  -9.861  -8.832
  301   3HZ   LYS  36          3HZ       LYS  36  -6.398  -9.661  -8.666
  302    QB   LYS  36           QB       LYS  36  -5.443 -10.418  -4.030
  303    QG   LYS  36           QG       LYS  36  -6.199 -12.388  -5.003
  304    QD   LYS  36           QD       LYS  36  -5.498 -11.775  -7.199
  305    QE   LYS  36           QE       LYS  36  -7.744 -10.749  -6.817
  306    QZ   LYS  36           QZ       LYS  36  -7.139 -10.203  -8.909
  307    H    ASN  37           HN       ASN  37  -3.951  -8.262  -4.676
  308    HA   ASN  37           HA       ASN  37  -1.693  -7.234  -3.358
  309   1HB   ASN  37          2HB       ASN  37  -4.585  -6.351  -3.533
  310   2HB   ASN  37          3HB       ASN  37  -3.422  -5.480  -2.544
  311   1HD2  ASN  37          2HD2      ASN  37  -2.549  -3.596  -5.400
  312   2HD2  ASN  37          1HD2      ASN  37  -3.165  -3.581  -3.762
  313    QB   ASN  37           QB       ASN  37  -4.004  -5.915  -3.039
  314    QD2  ASN  37           QD2      ASN  37  -2.857  -3.589  -4.581
  315    H    GLN  38           HN       GLN  38  -1.252  -6.700  -1.204
  316    HA   GLN  38           HA       GLN  38  -2.957  -7.582   1.010
  317   1HB   GLN  38          2HB       GLN  38  -0.927  -8.922   1.944
  318   2HB   GLN  38          3HB       GLN  38  -2.094  -9.641   0.854
  319   1HG   GLN  38          2HG       GLN  38  -0.715  -9.877  -0.909
  320   2HG   GLN  38          3HG       GLN  38   0.268  -8.498  -0.463
  321   1HE2  GLN  38          2HE2      GLN  38   2.292 -10.430   1.872
  322   2HE2  GLN  38          1HE2      GLN  38   1.618  -8.813   1.654
  323    QB   GLN  38           QB       GLN  38  -1.510  -9.282   1.399
  324    QG   GLN  38           QG       GLN  38  -0.223  -9.187  -0.686
  325    QE2  GLN  38           QE2      GLN  38   1.955  -9.622   1.763
  326    H    CYS  39           HN       CYS  39  -2.953  -5.647   1.998
  327    HA   CYS  39           HA       CYS  39  -0.521  -4.127   2.484
  328   1HB   CYS  39          2HB       CYS  39  -2.573  -2.894   2.227
  329   2HB   CYS  39          3HB       CYS  39  -3.396  -3.894   3.430
  330    QB   CYS  39           QB       CYS  39  -2.985  -3.394   2.829
  331    H    VAL  40           HN       VAL  40   0.930  -5.071   3.787
  332    HA   VAL  40           HA       VAL  40   0.017  -6.224   6.407
  333    HB   VAL  40           HB       VAL  40   1.752  -7.753   6.388
  334   1HG1  VAL  40          1HG1      VAL  40  -0.135  -8.071   4.595
  335   2HG1  VAL  40          2HG1      VAL  40   1.178  -7.764   3.424
  336   3HG1  VAL  40          3HG1      VAL  40   1.305  -9.134   4.569
  337   1HG2  VAL  40          3HG2      VAL  40   3.021  -6.162   4.130
  338   2HG2  VAL  40          1HG2      VAL  40   3.692  -6.545   5.730
  339   3HG2  VAL  40          2HG2      VAL  40   3.516  -7.825   4.534
  340    QG1  VAL  40           QG1      VAL  40   0.783  -8.323   4.196
  341    QG2  VAL  40           QG2      VAL  40   3.410  -6.844   4.798
  342    QQG  VAL  40           QQG      VAL  40   2.096  -7.583   4.497
  343    H    THR  41           HN       THR  41   1.974  -6.015   8.067
  344    HA   THR  41           HA       THR  41   2.287  -3.203   8.397
  345    HB   THR  41           HB       THR  41   3.935  -5.012  10.049
  346    HG1  THR  41          1HG       THR  41   1.119  -5.369  10.011
  347   1HG2  THR  41          3HG2      THR  41   3.086  -2.603  10.547
  348   2HG2  THR  41          1HG2      THR  41   1.505  -3.354  10.853
  349   3HG2  THR  41          2HG2      THR  41   2.921  -3.816  11.837
  350    QG2  THR  41           QG2      THR  41   2.504  -3.258  11.079
  351    H    GLY  42           HN       GLY  42   4.629  -2.346   9.024
  352   1HA   GLY  42          1HA       GLY  42   7.008  -2.517   8.805
  353   2HA   GLY  42          2HA       GLY  42   6.837  -3.651   7.455
  354    QA   GLY  42           QA       GLY  42   6.922  -3.084   8.130
  355    H    GLU  43           HN       GLU  43   8.363  -1.236   7.229
  356    HA   GLU  43           HA       GLU  43   6.596   0.799   6.216
  357   1HB   GLU  43          2HB       GLU  43   8.543   1.299   7.697
  358   2HB   GLU  43          3HB       GLU  43   9.658   0.725   6.455
  359   1HG   GLU  43          2HG       GLU  43   9.113   2.610   5.023
  360   2HG   GLU  43          3HG       GLU  43   7.756   3.080   6.077
  361    QB   GLU  43           QB       GLU  43   9.100   1.012   7.076
  362    QG   GLU  43           QG       GLU  43   8.434   2.845   5.550
  363    H    GLY  44           HN       GLY  44   7.289   1.921   4.128
  364   1HA   GLY  44          1HA       GLY  44   8.366   0.345   1.967
  365   2HA   GLY  44          2HA       GLY  44   6.585   0.434   1.927
  366    QA   GLY  44           QA       GLY  44   7.476   0.390   1.947
  367    H    THR  45           HN       THR  45   7.505   1.590  -0.189
  368    HA   THR  45           HA       THR  45   8.228   4.413   0.349
  369    HB   THR  45           HB       THR  45   9.500   2.934  -1.237
  370    HG1  THR  45          1HG       THR  45   9.691   4.661  -2.757
  371   1HG2  THR  45          1HG2      THR  45   7.560   1.928  -2.474
  372   2HG2  THR  45          2HG2      THR  45   7.243   3.541  -3.176
  373   3HG2  THR  45          3HG2      THR  45   8.751   2.699  -3.527
  374    QG2  THR  45           QG2      THR  45   7.851   2.723  -3.059
  375    HA   PRO  46           HA       PRO  46   4.003   5.634  -0.669
  376   1HB   PRO  46          2HB       PRO  46   4.312   8.296  -1.311
  377   2HB   PRO  46          3HB       PRO  46   4.347   7.634   0.345
  378   1HG   PRO  46          2HG       PRO  46   6.652   8.516  -1.351
  379   2HG   PRO  46          3HG       PRO  46   6.453   8.607   0.421
  380   1HD   PRO  46          2HD       PRO  46   7.911   6.666  -1.002
  381   2HD   PRO  46          3HD       PRO  46   7.380   6.511   0.696
  382    QB   PRO  46           QB       PRO  46   4.330   7.965  -0.483
  383    QG   PRO  46           QG       PRO  46   6.552   8.561  -0.465
  384    QD   PRO  46           QD       PRO  46   7.645   6.588  -0.153
  385    H    LYS  47           HN       LYS  47   2.747   6.734  -2.525
  386    HA   LYS  47           HA       LYS  47   3.899   5.805  -5.094
  387   1HB   LYS  47          2HB       LYS  47   1.376   5.296  -3.886
  388   2HB   LYS  47          3HB       LYS  47   1.041   6.443  -5.171
  389   1HG   LYS  47          2HG       LYS  47   2.763   4.546  -6.404
  390   2HG   LYS  47          3HG       LYS  47   1.787   3.622  -5.266
  391   1HD   LYS  47          2HD       LYS  47   0.619   3.528  -7.266
  392   2HD   LYS  47          3HD       LYS  47  -0.250   4.751  -6.325
  393   1HE   LYS  47          2HE       LYS  47   1.629   6.303  -7.661
  394   2HE   LYS  47          3HE       LYS  47   1.494   4.956  -8.798
  395   1HZ   LYS  47          1HZ       LYS  47  -0.903   5.378  -8.829
  396   2HZ   LYS  47          2HZ       LYS  47  -0.690   6.672  -7.824
  397   3HZ   LYS  47          3HZ       LYS  47  -0.029   6.694  -9.325
  398    QB   LYS  47           QB       LYS  47   1.209   5.869  -4.528
  399    QG   LYS  47           QG       LYS  47   2.275   4.084  -5.835
  400    QD   LYS  47           QD       LYS  47   0.185   4.140  -6.796
  401    QE   LYS  47           QE       LYS  47   1.562   5.630  -8.229
  402    QZ   LYS  47           QZ       LYS  47  -0.540   6.248  -8.659
  403    HA   PRO  48           HA       PRO  48   3.857  10.201  -6.034
  404   1HB   PRO  48          2HB       PRO  48   4.533  10.120  -8.714
  405   2HB   PRO  48          3HB       PRO  48   5.687   9.975  -7.359
  406   1HG   PRO  48          2HG       PRO  48   4.548   7.796  -9.082
  407   2HG   PRO  48          3HG       PRO  48   6.187   7.934  -8.384
  408   1HD   PRO  48          2HD       PRO  48   4.122   6.366  -7.337
  409   2HD   PRO  48          3HD       PRO  48   5.498   6.967  -6.373
  410    QB   PRO  48           QB       PRO  48   5.110  10.048  -8.036
  411    QG   PRO  48           QG       PRO  48   5.367   7.865  -8.733
  412    QD   PRO  48           QD       PRO  48   4.810   6.666  -6.855
  413    H    GLN  49           HN       GLN  49   2.491  11.657  -7.051
  414    HA   GLN  49           HA       GLN  49  -0.149  10.692  -7.810
  415   1HB   GLN  49          2HB       GLN  49   1.151  13.274  -7.072
  416   2HB   GLN  49          3HB       GLN  49  -0.066  13.440  -8.332
  417   1HG   GLN  49          2HG       GLN  49  -0.586  11.936  -5.731
  418   2HG   GLN  49          3HG       GLN  49  -0.904  13.664  -5.930
  419   1HE2  GLN  49          2HE2      GLN  49  -3.622  13.195  -8.278
  420   2HE2  GLN  49          1HE2      GLN  49  -2.289  14.271  -7.919
  421    QB   GLN  49           QB       GLN  49   0.542  13.357  -7.702
  422    QG   GLN  49           QG       GLN  49  -0.745  12.800  -5.830
  423    QE2  GLN  49           QE2      GLN  49  -2.955  13.733  -8.099
  424    H    SER  50           HN       SER  50  -1.189  11.324  -9.811
  425    HA   SER  50           HA       SER  50   0.652  11.256 -12.161
  426   1HB   SER  50          2HB       SER  50  -1.091   9.279 -11.539
  427   2HB   SER  50          3HB       SER  50  -2.219  10.377 -12.350
  428    HG   SER  50           HG       SER  50   0.245   9.396 -13.405
  429    QB   SER  50           QB       SER  50  -1.655   9.828 -11.945
  430    H    HIS  51           HN       HIS  51  -0.204  12.504 -14.059
  431    HA   HIS  51           HA       HIS  51  -2.397  14.291 -13.801
  432   1HB   HIS  51          2HB       HIS  51  -0.809  15.520 -12.329
  433   2HB   HIS  51          3HB       HIS  51   0.438  15.410 -13.576
  434    HD1  HIS  51           HD1      HIS  51   0.690  17.915 -14.225
  435    HD2  HIS  51           HD2      HIS  51  -3.287  16.554 -14.060
  436    HE1  HIS  51           HE1      HIS  51  -0.782  19.849 -15.020
  437    QB   HIS  51           QB       HIS  51  -0.185  15.465 -12.952
   
  Start of MODEL          20
 Raw file had 437 H/Q atoms
  Start of MODEL   20
    1    H    VAL   1           HN       VAL   1 -11.000  12.495   1.513
    2    HA   VAL   1           HA       VAL   1 -10.062  13.198  -0.526
    3    HB   VAL   1           HB       VAL   1  -7.452  12.733   0.964
    4   1HG1  VAL   1          2HG1      VAL   1  -7.742  13.380  -1.991
    5   2HG1  VAL   1          3HG1      VAL   1  -6.229  13.363  -1.059
    6   3HG1  VAL   1          1HG1      VAL   1  -7.107  11.862  -1.311
    7   1HG2  VAL   1          3HG2      VAL   1  -8.542  14.948   1.323
    8   2HG2  VAL   1          1HG2      VAL   1  -7.046  15.108   0.400
    9   3HG2  VAL   1          2HG2      VAL   1  -8.606  15.186  -0.434
   10    QG1  VAL   1           QG1      VAL   1  -7.026  12.868  -1.454
   11    QG2  VAL   1           QG2      VAL   1  -8.064  15.081   0.430
   12    QQG  VAL   1           QQG      VAL   1  -7.545  13.974  -0.512
   13    H    VAL   2           HN       VAL   2  -9.558  11.616  -2.311
   14    HA   VAL   2           HA       VAL   2  -9.858   8.796  -1.398
   15    HB   VAL   2           HB       VAL   2 -10.518  10.170  -4.030
   16   1HG1  VAL   2          1HG1      VAL   2 -10.782   7.246  -3.209
   17   2HG1  VAL   2          2HG1      VAL   2 -11.581   7.970  -4.619
   18   3HG1  VAL   2          3HG1      VAL   2  -9.822   7.907  -4.554
   19   1HG2  VAL   2          1HG2      VAL   2 -12.137  10.640  -2.187
   20   2HG2  VAL   2          2HG2      VAL   2 -12.847   9.614  -3.436
   21   3HG2  VAL   2          3HG2      VAL   2 -12.303   8.894  -1.909
   22    QG1  VAL   2           QG1      VAL   2 -10.729   7.708  -4.127
   23    QG2  VAL   2           QG2      VAL   2 -12.429   9.716  -2.511
   24    QQG  VAL   2           QQG      VAL   2 -11.579   8.712  -3.319
   25    OH   TYR   3           OH       TYR   3  -6.787   9.474   3.055
   26    H    TYR   3           HN       TYR   3  -8.456   7.214  -2.319
   27    HA   TYR   3           HA       TYR   3  -5.811   8.277  -3.216
   28   1HB   TYR   3          2HB       TYR   3  -6.284   5.672  -1.763
   29   2HB   TYR   3          3HB       TYR   3  -4.771   6.537  -1.999
   30    HD1  TYR   3           HD2      TYR   3  -4.255   8.563  -0.615
   31    HD2  TYR   3           HD1      TYR   3  -7.855   6.278   0.012
   32    HE1  TYR   3           HE2      TYR   3  -4.706   9.830   1.462
   33    HE2  TYR   3           HE1      TYR   3  -8.313   7.564   2.070
   34    HH   TYR   3           HH       TYR   3  -6.007   9.876   3.430
   35    QB   TYR   3           QB       TYR   3  -5.528   6.104  -1.881
   36    QR   TYR   3           QR       TYR   3  -6.282   8.059   0.732
   37    H    THR   4           HN       THR   4  -4.654   5.975  -4.243
   38    HA   THR   4           HA       THR   4  -6.517   4.973  -6.342
   39    HB   THR   4           HB       THR   4  -4.710   5.208  -8.019
   40    HG1  THR   4          1HG       THR   4  -3.474   6.832  -6.053
   41   1HG2  THR   4          3HG2      THR   4  -6.517   6.874  -7.923
   42   2HG2  THR   4          1HG2      THR   4  -5.571   7.870  -6.802
   43   3HG2  THR   4          2HG2      THR   4  -4.991   7.599  -8.456
   44    QG2  THR   4           QG2      THR   4  -5.693   7.448  -7.727
   45    H    ASP   5           HN       ASP   5  -5.553   2.900  -7.395
   46    HA   ASP   5           HA       ASP   5  -4.861   1.205  -5.228
   47   1HB   ASP   5          2HB       ASP   5  -5.074   0.752  -8.224
   48   2HB   ASP   5          3HB       ASP   5  -4.670  -0.534  -7.083
   49    QB   ASP   5           QB       ASP   5  -4.872   0.109  -7.653
   50    H    CYS   6           HN       CYS   6  -2.914  -0.353  -5.244
   51    HA   CYS   6           HA       CYS   6  -0.519   1.341  -5.681
   52   1HB   CYS   6          2HB       CYS   6  -0.638  -1.435  -4.487
   53   2HB   CYS   6          3HB       CYS   6   0.819  -0.513  -4.832
   54    QB   CYS   6           QB       CYS   6   0.091  -0.974  -4.659
   55    H    THR   7           HN       THR   7   1.343   0.674  -6.827
   56    HA   THR   7           HA       THR   7   0.573  -0.707  -9.378
   57    HB   THR   7           HB       THR   7   1.985   1.023 -10.462
   58    HG1  THR   7          1HG       THR   7   2.725   1.623  -7.998
   59   1HG2  THR   7          2HG2      THR   7  -0.557   1.177 -10.177
   60   2HG2  THR   7          3HG2      THR   7  -0.260   2.211  -8.769
   61   3HG2  THR   7          1HG2      THR   7   0.271   2.729 -10.376
   62    QG2  THR   7           QG2      THR   7  -0.182   2.039  -9.774
   63    H    GLU   8           HN       GLU   8   2.916  -0.726  -6.820
   64    HA   GLU   8           HA       GLU   8   4.464  -2.821  -8.182
   65   1HB   GLU   8          2HB       GLU   8   6.568  -1.611  -7.310
   66   2HB   GLU   8          3HB       GLU   8   5.796  -0.884  -8.726
   67   1HG   GLU   8          2HG       GLU   8   4.689   0.796  -7.354
   68   2HG   GLU   8          3HG       GLU   8   5.320   0.039  -5.871
   69    QB   GLU   8           QB       GLU   8   6.182  -1.248  -8.018
   70    QG   GLU   8           QG       GLU   8   5.005   0.417  -6.612
   71    H    SER   9           HN       SER   9   5.530  -4.189  -6.499
   72    HA   SER   9           HA       SER   9   4.125  -4.255  -3.957
   73   1HB   SER   9          2HB       SER   9   6.526  -5.715  -5.111
   74   2HB   SER   9          3HB       SER   9   6.127  -5.855  -3.395
   75    HG   SER   9           HG       SER   9   5.050  -7.333  -5.132
   76    QB   SER   9           QB       SER   9   6.326  -5.785  -4.253
   77    H    GLY  10           HN       GLY  10   4.905  -3.674  -1.885
   78   1HA   GLY  10          1HA       GLY  10   6.653  -2.927  -0.391
   79   2HA   GLY  10          2HA       GLY  10   7.597  -2.371  -1.754
   80    QA   GLY  10           QA       GLY  10   7.125  -2.649  -1.072
   81    H    GLN  11           HN       GLN  11   4.451  -1.404  -2.373
   82    HA   GLN  11           HA       GLN  11   5.265   1.318  -1.735
   83   1HB   GLN  11          2HB       GLN  11   3.904   0.043  -3.916
   84   2HB   GLN  11          3HB       GLN  11   2.711   1.102  -3.176
   85   1HG   GLN  11          2HG       GLN  11   4.366   2.990  -3.380
   86   2HG   GLN  11          3HG       GLN  11   5.460   1.849  -4.194
   87   1HE2  GLN  11          2HE2      GLN  11   4.128   3.508  -7.045
   88   2HE2  GLN  11          1HE2      GLN  11   5.300   3.693  -5.761
   89    QB   GLN  11           QB       GLN  11   3.307   0.572  -3.546
   90    QG   GLN  11           QG       GLN  11   4.913   2.419  -3.787
   91    QE2  GLN  11           QE2      GLN  11   4.714   3.601  -6.403
   92    H    ASN  12           HN       ASN  12   3.560   2.897  -0.921
   93    HA   ASN  12           HA       ASN  12   1.190   1.734   0.314
   94   1HB   ASN  12          2HB       ASN  12   1.637   2.396   2.602
   95   2HB   ASN  12          3HB       ASN  12   2.906   1.350   2.034
   96   1HD2  ASN  12          2HD2      ASN  12   5.246   3.546   3.357
   97   2HD2  ASN  12          1HD2      ASN  12   4.398   2.001   3.560
   98    QB   ASN  12           QB       ASN  12   2.271   1.873   2.318
   99    QD2  ASN  12           QD2      ASN  12   4.822   2.773   3.458
  100    H    LEU  13           HN       LEU  13   0.153   3.762   1.657
  101    HA   LEU  13           HA       LEU  13  -1.211   5.512   1.246
  102   1HB   LEU  13          2HB       LEU  13   1.447   6.497   0.371
  103   2HB   LEU  13          3HB       LEU  13   0.123   7.321  -0.430
  104    HG   LEU  13           HG       LEU  13  -0.820   8.052   1.633
  105   1HD1  LEU  13          3HD1      LEU  13   1.186   6.183   2.966
  106   2HD1  LEU  13          1HD1      LEU  13   0.439   7.548   3.819
  107   3HD1  LEU  13          2HD1      LEU  13  -0.574   6.250   3.199
  108   1HD2  LEU  13          3HD2      LEU  13   1.252   9.192   0.668
  109   2HD2  LEU  13          1HD2      LEU  13   0.954   9.493   2.391
  110   3HD2  LEU  13          2HD2      LEU  13   2.200   8.327   1.898
  111    QB   LEU  13           QB       LEU  13   0.785   6.909  -0.029
  112    QD1  LEU  13           QD1      LEU  13   0.350   6.660   3.328
  113    QD2  LEU  13           QD2      LEU  13   1.468   9.004   1.652
  114    QQD  LEU  13           QQD      LEU  13   0.909   7.832   2.490
  115    H    CYS  14           HN       CYS  14  -1.503   3.186  -0.219
  116    HA   CYS  14           HA       CYS  14  -3.154   4.245  -2.345
  117   1HB   CYS  14          2HB       CYS  14  -2.196   2.435  -3.954
  118   2HB   CYS  14          3HB       CYS  14  -1.488   4.034  -3.809
  119    QB   CYS  14           QB       CYS  14  -1.842   3.235  -3.881
  120    H    LEU  15           HN       LEU  15  -4.687   2.739  -3.144
  121    HA   LEU  15           HA       LEU  15  -5.896   1.220  -0.971
  122   1HB   LEU  15          2HB       LEU  15  -6.751   1.415  -3.890
  123   2HB   LEU  15          3HB       LEU  15  -7.741   0.900  -2.522
  124    HG   LEU  15           HG       LEU  15  -6.702   3.706  -3.026
  125   1HD1  LEU  15          2HD1      LEU  15  -8.688   3.073  -4.378
  126   2HD1  LEU  15          3HD1      LEU  15  -9.541   2.623  -2.887
  127   3HD1  LEU  15          1HD1      LEU  15  -9.064   4.306  -3.164
  128   1HD2  LEU  15          1HD2      LEU  15  -8.212   2.513  -0.667
  129   2HD2  LEU  15          2HD2      LEU  15  -6.659   3.377  -0.637
  130   3HD2  LEU  15          3HD2      LEU  15  -8.152   4.251  -0.998
  131    QB   LEU  15           QB       LEU  15  -7.246   1.157  -3.206
  132    QD1  LEU  15           QD1      LEU  15  -9.098   3.334  -3.476
  133    QD2  LEU  15           QD2      LEU  15  -7.675   3.380  -0.767
  134    QQD  LEU  15           QQD      LEU  15  -8.386   3.357  -2.122
  135    H    CYS  16           HN       CYS  16  -5.934  -0.909  -0.636
  136    HA   CYS  16           HA       CYS  16  -4.283  -2.611  -2.481
  137   1HB   CYS  16          2HB       CYS  16  -2.814  -1.538  -0.737
  138   2HB   CYS  16          3HB       CYS  16  -3.798  -2.342   0.475
  139    QB   CYS  16           QB       CYS  16  -3.306  -1.940  -0.131
  140    H    GLU  17           HN       GLU  17  -5.817  -2.707   0.707
  141    HA   GLU  17           HA       GLU  17  -7.357  -5.135  -0.032
  142   1HB   GLU  17          2HB       GLU  17  -6.715  -3.748   2.570
  143   2HB   GLU  17          3HB       GLU  17  -8.252  -4.609   2.403
  144   1HG   GLU  17          2HG       GLU  17  -6.801  -6.187   3.306
  145   2HG   GLU  17          3HG       GLU  17  -7.009  -6.656   1.621
  146    QB   GLU  17           QB       GLU  17  -7.483  -4.178   2.486
  147    QG   GLU  17           QG       GLU  17  -6.905  -6.422   2.463
  148    H    ASP  18           HN       GLY  18  -8.578  -4.163  -1.684
  149   1HA   ASP  18          1HA       GLY  18 -10.533  -3.224  -2.498
  150   2HA   ASP  18          2HA       GLY  18 -11.155  -3.317  -0.838
  151    QA   ASP  18           QA       GLY  18 -10.844  -3.270  -1.668
  152    H    SER  19           HN       SER  19 -11.907  -1.277  -0.296
  153    HA   SER  19           HA       SER  19 -10.604   1.110  -1.415
  154   1HB   SER  19          2HB       SER  19 -13.135   0.858  -1.172
  155   2HB   SER  19          3HB       SER  19 -12.900   0.926   0.590
  156    HG   SER  19           HG       SER  19 -11.791   2.960   0.172
  157    QB   SER  19           QB       SER  19 -13.018   0.892  -0.291
  158    H    ASN  20           HN       ASN  20  -9.446  -0.794   1.000
  159    HA   ASN  20           HA       ASN  20  -9.164   1.337   3.025
  160   1HB   ASN  20          2HB       ASN  20  -8.012  -1.427   3.053
  161   2HB   ASN  20          3HB       ASN  20  -8.105  -0.282   4.374
  162   1HD2  ASN  20          2HD2      ASN  20 -10.845  -2.465   5.241
  163   2HD2  ASN  20          1HD2      ASN  20  -9.092  -2.412   5.318
  164    QB   ASN  20           QB       ASN  20  -8.059  -0.855   3.713
  165    QD2  ASN  20           QD2      ASN  20  -9.969  -2.439   5.280
  166    H    VAL  21           HN       VAL  21  -7.569   2.725   2.849
  167    HA   VAL  21           HA       VAL  21  -5.431   2.346   0.935
  168    HB   VAL  21           HB       VAL  21  -6.473   4.579   1.415
  169   1HG1  VAL  21          3HG1      VAL  21  -6.399   4.455   3.960
  170   2HG1  VAL  21          1HG1      VAL  21  -4.654   4.772   3.827
  171   3HG1  VAL  21          2HG1      VAL  21  -5.816   5.954   3.229
  172   1HG2  VAL  21          3HG2      VAL  21  -3.454   4.344   1.669
  173   2HG2  VAL  21          1HG2      VAL  21  -4.394   4.419   0.163
  174   3HG2  VAL  21          2HG2      VAL  21  -4.317   5.825   1.232
  175    QG1  VAL  21           QG1      VAL  21  -5.623   5.060   3.672
  176    QG2  VAL  21           QG2      VAL  21  -4.055   4.862   1.021
  177    QQG  VAL  21           QQG      VAL  21  -4.839   4.961   2.346
  178    H    CYS  22           HN       CYS  22  -3.496   1.470   1.232
  179    HA   CYS  22           HA       CYS  22  -2.738   0.437   3.827
  180   1HB   CYS  22          2HB       CYS  22  -2.268  -0.564   1.534
  181   2HB   CYS  22          3HB       CYS  22  -0.999   0.655   1.355
  182    QB   CYS  22           QB       CYS  22  -1.634   0.045   1.445
  183    H    GLY  23           HN       GLY  23  -2.807   2.340   5.058
  184   1HA   GLY  23          1HA       GLY  23  -1.553   4.780   4.706
  185   2HA   GLY  23          2HA       GLY  23  -1.931   4.058   6.269
  186    QA   GLY  23           QA       GLY  23  -1.742   4.419   5.488
  187    H    GLN  24           HN       GLN  24   0.353   5.772   6.043
  188    HA   GLN  24           HA       GLN  24   2.722   4.365   5.676
  189   1HB   GLN  24          2HB       GLN  24   3.735   5.966   7.364
  190   2HB   GLN  24          3HB       GLN  24   3.009   6.654   5.918
  191   1HG   GLN  24          2HG       GLN  24   1.238   6.414   8.347
  192   2HG   GLN  24          3HG       GLN  24   2.536   7.608   8.400
  193   1HE2  GLN  24          2HE2      GLN  24   1.107   9.794   5.994
  194   2HE2  GLN  24          1HE2      GLN  24   2.521   9.412   6.955
  195    QB   GLN  24           QB       GLN  24   3.372   6.310   6.641
  196    QG   GLN  24           QG       GLN  24   1.887   7.011   8.373
  197    QE2  GLN  24           QE2      GLN  24   1.814   9.603   6.475
  198    H    GLY  25           HN       GLY  25   4.252   3.428   7.241
  199   1HA   GLY  25          1HA       GLY  25   4.839   2.050   8.960
  200   2HA   GLY  25          2HA       GLY  25   3.323   2.376   9.803
  201    QA   GLY  25           QA       GLY  25   4.081   2.213   9.382
  202    H    ASN  26           HN       ASN  26   2.982   1.481   6.538
  203    HA   ASN  26           HA       ASN  26   2.594  -1.379   6.881
  204   1HB   ASN  26          2HB       ASN  26   0.535   0.366   5.451
  205   2HB   ASN  26          3HB       ASN  26   0.428  -1.312   5.901
  206   1HD2  ASN  26          2HD2      ASN  26  -0.559   1.433   8.788
  207   2HD2  ASN  26          1HD2      ASN  26   0.269   2.020   7.359
  208    QB   ASN  26           QB       ASN  26   0.482  -0.473   5.676
  209    QD2  ASN  26           QD2      ASN  26  -0.145   1.727   8.073
  210    H    LYS  27           HN       LYS  27   2.218  -2.359   4.589
  211    HA   LYS  27           HA       LYS  27   3.270  -0.852   2.329
  212   1HB   LYS  27          2HB       LYS  27   5.387  -1.437   2.736
  213   2HB   LYS  27          3HB       LYS  27   4.944  -2.627   3.973
  214   1HG   LYS  27          2HG       LYS  27   4.450  -4.254   2.100
  215   2HG   LYS  27          3HG       LYS  27   4.990  -3.011   0.969
  216   1HD   LYS  27          2HD       LYS  27   6.707  -4.707   1.412
  217   2HD   LYS  27          3HD       LYS  27   7.278  -3.136   1.990
  218   1HE   LYS  27          2HE       LYS  27   5.811  -4.805   4.016
  219   2HE   LYS  27          3HE       LYS  27   7.294  -5.537   3.438
  220   1HZ   LYS  27          2HZ       LYS  27   7.284  -2.757   4.343
  221   2HZ   LYS  27          3HZ       LYS  27   7.368  -3.999   5.417
  222   3HZ   LYS  27          1HZ       LYS  27   8.537  -3.814   4.262
  223    QB   LYS  27           QB       LYS  27   5.166  -2.032   3.355
  224    QG   LYS  27           QG       LYS  27   4.720  -3.632   1.534
  225    QD   LYS  27           QD       LYS  27   6.992  -3.921   1.701
  226    QE   LYS  27           QE       LYS  27   6.552  -5.171   3.727
  227    QZ   LYS  27           QZ       LYS  27   7.729  -3.523   4.674
  228    H    CYS  28           HN       CYS  28   2.410  -1.602   0.470
  229    HA   CYS  28           HA       CYS  28   0.578  -3.896   0.548
  230   1HB   CYS  28          2HB       CYS  28  -0.078  -1.651  -0.403
  231   2HB   CYS  28          3HB       CYS  28   1.147  -1.928  -1.655
  232    QB   CYS  28           QB       CYS  28   0.534  -1.790  -1.029
  233    H    ILE  29           HN       ILE  29   1.203  -5.824  -0.241
  234    HA   ILE  29           HA       ILE  29   3.545  -6.040  -2.075
  235    HB   ILE  29           HB       ILE  29   2.244  -8.020  -0.193
  236   1HG1  ILE  29          2HG1      ILE  29   3.906  -6.455   0.804
  237   2HG1  ILE  29          3HG1      ILE  29   4.370  -8.151   0.881
  238   1HG2  ILE  29          1HG2      ILE  29   4.185  -8.539  -2.466
  239   2HG2  ILE  29          2HG2      ILE  29   4.071  -9.589  -1.040
  240   3HG2  ILE  29          3HG2      ILE  29   2.663  -9.367  -2.083
  241   1HD1  ILE  29          2HD1      ILE  29   5.901  -7.792  -1.094
  242   2HD1  ILE  29          3HD1      ILE  29   5.517  -6.057  -1.012
  243   3HD1  ILE  29          1HD1      ILE  29   6.318  -6.859   0.343
  244    QG1  ILE  29           QG1      ILE  29   4.138  -7.303   0.842
  245    QG2  ILE  29           QG2      ILE  29   3.640  -9.165  -1.863
  246    QD1  ILE  29           QD1      ILE  29   5.912  -6.902  -0.587
  247    H    LEU  30           HN       LEU  30   3.013  -6.107  -4.110
  248    HA   LEU  30           HA       LEU  30   0.301  -6.869  -5.022
  249   1HB   LEU  30          2HB       LEU  30   2.498  -5.082  -6.002
  250   2HB   LEU  30          3HB       LEU  30   1.672  -6.010  -7.252
  251    HG   LEU  30           HG       LEU  30   0.103  -4.433  -5.208
  252   1HD1  LEU  30          2HD1      LEU  30   1.277  -3.490  -7.838
  253   2HD1  LEU  30          3HD1      LEU  30  -0.127  -2.779  -7.029
  254   3HD1  LEU  30          1HD1      LEU  30   1.439  -2.766  -6.210
  255   1HD2  LEU  30          1HD2      LEU  30  -1.081  -6.202  -6.638
  256   2HD2  LEU  30          2HD2      LEU  30  -1.646  -4.556  -6.950
  257   3HD2  LEU  30          3HD2      LEU  30  -0.515  -5.332  -8.074
  258    QB   LEU  30           QB       LEU  30   2.085  -5.546  -6.627
  259    QD1  LEU  30           QD1      LEU  30   0.863  -3.012  -7.026
  260    QD2  LEU  30           QD2      LEU  30  -1.081  -5.364  -7.220
  261    QQD  LEU  30           QQD      LEU  30  -0.109  -4.188  -7.123
  262    H    GLY  31           HN       GLY  31   0.627  -9.068  -4.518
  263   1HA   GLY  31          1HA       GLY  31   0.757 -11.122  -5.614
  264   2HA   GLY  31          2HA       GLY  31   1.963 -10.509  -6.745
  265    QA   GLY  31           QA       GLY  31   1.360 -10.815  -6.179
  266    H    SER  32           HN       SER  32   1.750 -12.840  -4.809
  267    HA   SER  32           HA       SER  32   4.489 -12.987  -3.819
  268   1HB   SER  32          2HB       SER  32   2.120 -12.500  -2.041
  269   2HB   SER  32          3HB       SER  32   3.111 -13.906  -1.615
  270    HG   SER  32           HG       SER  32   3.975 -12.144  -0.607
  271    QB   SER  32           QB       SER  32   2.615 -13.203  -1.828
  272    H    ASN  33           HN       ASP  33   4.765 -14.736  -5.152
  273    HA   ASN  33           HA       ASP  33   4.335 -16.754  -6.214
  274   1HB   ASN  33          2HB       ASP  33   4.404 -18.599  -4.497
  275   2HB   ASN  33          3HB       ASP  33   5.687 -17.391  -4.447
  276    QB   ASN  33           QB       ASP  33   5.045 -17.995  -4.472
  277    H    GLY  34           HN       GLY  34   2.160 -15.444  -6.663
  278   1HA   GLY  34          1HA       GLY  34   0.164 -15.857  -7.655
  279   2HA   GLY  34          2HA       GLY  34   0.192 -17.509  -7.034
  280    QA   GLY  34           QA       GLY  34   0.178 -16.683  -7.345
  281    H    GLU  35           HN       GLU  35   0.558 -14.650  -4.984
  282    HA   GLU  35           HA       GLU  35  -2.172 -14.974  -3.923
  283   1HB   GLU  35          2HB       GLU  35   0.365 -13.704  -2.885
  284   2HB   GLU  35          3HB       GLU  35  -1.126 -13.033  -2.320
  285   1HG   GLU  35          2HG       GLU  35  -0.531 -16.000  -2.159
  286   2HG   GLU  35          3HG       GLU  35  -0.278 -14.845  -0.847
  287    QB   GLU  35           QB       GLU  35  -0.380 -13.369  -2.603
  288    QG   GLU  35           QG       GLU  35  -0.405 -15.423  -1.503
  289    H    LYS  36           HN       LYS  36  -3.142 -13.064  -3.153
  290    HA   LYS  36           HA       LYS  36  -3.779 -11.157  -5.345
  291   1HB   LYS  36          2HB       LYS  36  -4.999 -11.725  -2.629
  292   2HB   LYS  36          3HB       LYS  36  -5.698 -10.610  -3.795
  293   1HG   LYS  36          2HG       LYS  36  -5.164 -13.507  -4.575
  294   2HG   LYS  36          3HG       LYS  36  -6.538 -13.133  -3.566
  295   1HD   LYS  36          2HD       LYS  36  -6.047 -11.841  -6.296
  296   2HD   LYS  36          3HD       LYS  36  -6.985 -13.320  -6.023
  297   1HE   LYS  36          2HE       LYS  36  -8.387 -11.917  -4.327
  298   2HE   LYS  36          3HE       LYS  36  -7.654 -10.498  -5.077
  299   1HZ   LYS  36          3HZ       LYS  36  -9.225 -12.558  -6.483
  300   2HZ   LYS  36          1HZ       LYS  36  -9.782 -11.084  -6.020
  301   3HZ   LYS  36          2HZ       LYS  36  -8.606 -11.190  -7.166
  302    QB   LYS  36           QB       LYS  36  -5.348 -11.168  -3.212
  303    QG   LYS  36           QG       LYS  36  -5.851 -13.320  -4.071
  304    QD   LYS  36           QD       LYS  36  -6.516 -12.581  -6.159
  305    QE   LYS  36           QE       LYS  36  -8.021 -11.208  -4.702
  306    QZ   LYS  36           QZ       LYS  36  -9.204 -11.611  -6.556
  307    H    ASN  37           HN       ASN  37  -4.377  -8.886  -4.307
  308    HA   ASN  37           HA       ASN  37  -1.951  -7.677  -3.383
  309   1HB   ASN  37          2HB       ASN  37  -4.271  -6.762  -4.622
  310   2HB   ASN  37          3HB       ASN  37  -4.569  -6.237  -2.965
  311   1HD2  ASN  37          2HD2      ASN  37  -2.905  -3.376  -4.505
  312   2HD2  ASN  37          1HD2      ASN  37  -4.494  -4.092  -4.309
  313    QB   ASN  37           QB       ASN  37  -4.420  -6.500  -3.793
  314    QD2  ASN  37           QD2      ASN  37  -3.700  -3.734  -4.407
  315    H    GLN  38           HN       GLN  38  -1.235  -7.437  -1.313
  316    HA   GLN  38           HA       GLN  38  -3.070  -7.782   1.018
  317   1HB   GLN  38          2HB       GLN  38  -0.269  -8.960   0.863
  318   2HB   GLN  38          3HB       GLN  38  -1.484  -9.172   2.111
  319   1HG   GLN  38          2HG       GLN  38  -2.639 -10.154  -0.345
  320   2HG   GLN  38          3HG       GLN  38  -0.976 -10.751  -0.283
  321   1HE2  GLN  38          2HE2      GLN  38  -3.841 -12.240   2.222
  322   2HE2  GLN  38          1HE2      GLN  38  -4.216 -10.978   1.061
  323    QB   GLN  38           QB       GLN  38  -0.876  -9.066   1.487
  324    QG   GLN  38           QG       GLN  38  -1.808 -10.453  -0.314
  325    QE2  GLN  38           QE2      GLN  38  -4.028 -11.609   1.642
  326    H    CYS  39           HN       CYS  39  -2.883  -6.014   2.354
  327    HA   CYS  39           HA       CYS  39  -0.473  -4.269   2.359
  328   1HB   CYS  39          2HB       CYS  39  -2.618  -3.139   2.153
  329   2HB   CYS  39          3HB       CYS  39  -3.210  -3.967   3.594
  330    QB   CYS  39           QB       CYS  39  -2.914  -3.553   2.874
  331    H    VAL  40           HN       VAL  40   1.093  -5.106   3.650
  332    HA   VAL  40           HA       VAL  40   0.365  -6.305   6.303
  333    HB   VAL  40           HB       VAL  40   2.618  -7.237   6.258
  334   1HG1  VAL  40          3HG1      VAL  40   0.690  -8.464   5.208
  335   2HG1  VAL  40          1HG1      VAL  40   1.193  -7.824   3.629
  336   3HG1  VAL  40          2HG1      VAL  40   2.273  -8.905   4.533
  337   1HG2  VAL  40          2HG2      VAL  40   3.737  -5.472   4.835
  338   2HG2  VAL  40          3HG2      VAL  40   4.078  -7.132   4.333
  339   3HG2  VAL  40          1HG2      VAL  40   2.920  -6.164   3.420
  340    QG1  VAL  40           QG1      VAL  40   1.385  -8.398   4.457
  341    QG2  VAL  40           QG2      VAL  40   3.578  -6.256   4.196
  342    QQG  VAL  40           QQG      VAL  40   2.482  -7.327   4.326
  343    H    THR  41           HN       THR  41   1.598  -5.638   8.224
  344    HA   THR  41           HA       THR  41   2.027  -2.867   8.318
  345    HB   THR  41           HB       THR  41   3.259  -4.536  10.427
  346    HG1  THR  41          1HG       THR  41   1.070  -5.217  11.048
  347   1HG2  THR  41          3HG2      THR  41   0.933  -2.552  10.299
  348   2HG2  THR  41          1HG2      THR  41   1.615  -3.216  11.800
  349   3HG2  THR  41          2HG2      THR  41   2.605  -2.165  10.772
  350    QG2  THR  41           QG2      THR  41   1.717  -2.645  10.957
  351    H    GLY  42           HN       GLY  42   4.161  -1.854   9.067
  352   1HA   GLY  42          1HA       GLY  42   6.554  -2.627   9.517
  353   2HA   GLY  42          2HA       GLY  42   6.576  -3.146   7.829
  354    QA   GLY  42           QA       GLY  42   6.565  -2.886   8.673
  355    H    GLU  43           HN       GLU  43   7.119  -1.669   6.318
  356    HA   GLU  43           HA       GLU  43   6.281   1.061   6.386
  357   1HB   GLU  43          2HB       GLU  43   8.347   1.173   7.786
  358   2HB   GLU  43          3HB       GLU  43   9.303   0.460   6.486
  359   1HG   GLU  43          2HG       GLU  43   9.210   2.424   5.201
  360   2HG   GLU  43          3HG       GLU  43   7.664   2.946   5.909
  361    QB   GLU  43           QB       GLU  43   8.825   0.817   7.136
  362    QG   GLU  43           QG       GLU  43   8.437   2.685   5.555
  363    H    GLY  44           HN       GLY  44   7.062   2.047   4.261
  364   1HA   GLY  44          1HA       GLY  44   7.679   0.288   2.058
  365   2HA   GLY  44          2HA       GLY  44   5.942   0.684   2.158
  366    QA   GLY  44           QA       GLY  44   6.810   0.486   2.108
  367    H    THR  45           HN       THR  45   7.271   1.540  -0.037
  368    HA   THR  45           HA       THR  45   8.167   4.318   0.401
  369    HB   THR  45           HB       THR  45   9.434   3.085  -1.158
  370    HG1  THR  45          1HG       THR  45   9.147   4.490  -2.973
  371   1HG2  THR  45          1HG2      THR  45   6.949   2.669  -2.821
  372   2HG2  THR  45          2HG2      THR  45   8.597   2.267  -3.314
  373   3HG2  THR  45          3HG2      THR  45   7.859   1.395  -1.974
  374    QG2  THR  45           QG2      THR  45   7.802   2.110  -2.703
  375    HA   PRO  46           HA       PRO  46   3.918   5.637  -0.220
  376   1HB   PRO  46          2HB       PRO  46   4.201   8.334  -0.423
  377   2HB   PRO  46          3HB       PRO  46   4.370   7.408   1.087
  378   1HG   PRO  46          2HG       PRO  46   6.569   8.369  -0.792
  379   2HG   PRO  46          3HG       PRO  46   6.523   8.567   0.986
  380   1HD   PRO  46          2HD       PRO  46   7.898   6.548  -0.273
  381   2HD   PRO  46          3HD       PRO  46   7.125   6.299   1.320
  382    QB   PRO  46           QB       PRO  46   4.286   7.871   0.332
  383    QG   PRO  46           QG       PRO  46   6.546   8.468   0.097
  384    QD   PRO  46           QD       PRO  46   7.511   6.424   0.524
  385    H    LYS  47           HN       LYS  47   2.751   5.582  -2.058
  386    HA   LYS  47           HA       LYS  47   3.874   5.641  -4.647
  387   1HB   LYS  47          2HB       LYS  47   1.691   4.676  -4.264
  388   2HB   LYS  47          3HB       LYS  47   1.005   6.255  -3.853
  389   1HG   LYS  47          2HG       LYS  47   0.825   6.914  -6.022
  390   2HG   LYS  47          3HG       LYS  47   2.385   6.239  -6.482
  391   1HD   LYS  47          2HD       LYS  47   1.490   3.999  -6.635
  392   2HD   LYS  47          3HD       LYS  47  -0.116   4.548  -6.151
  393   1HE   LYS  47          2HE       LYS  47   0.937   6.166  -8.395
  394   2HE   LYS  47          3HE       LYS  47   1.048   4.454  -8.773
  395   1HZ   LYS  47          1HZ       LYS  47  -1.303   4.243  -8.294
  396   2HZ   LYS  47          2HZ       LYS  47  -1.440   5.839  -7.940
  397   3HZ   LYS  47          3HZ       LYS  47  -1.035   5.374  -9.464
  398    QB   LYS  47           QB       LYS  47   1.348   5.466  -4.059
  399    QG   LYS  47           QG       LYS  47   1.605   6.577  -6.252
  400    QD   LYS  47           QD       LYS  47   0.687   4.273  -6.393
  401    QE   LYS  47           QE       LYS  47   0.993   5.310  -8.584
  402    QZ   LYS  47           QZ       LYS  47  -1.260   5.152  -8.566
  403    HA   PRO  48           HA       PRO  48   4.258  10.192  -4.935
  404   1HB   PRO  48          2HB       PRO  48   5.606  10.357  -7.311
  405   2HB   PRO  48          3HB       PRO  48   6.391   9.932  -5.767
  406   1HG   PRO  48          2HG       PRO  48   5.570   8.101  -8.003
  407   2HG   PRO  48          3HG       PRO  48   7.020   8.020  -6.963
  408   1HD   PRO  48          2HD       PRO  48   4.679   6.528  -6.627
  409   2HD   PRO  48          3HD       PRO  48   5.871   6.824  -5.336
  410    QB   PRO  48           QB       PRO  48   5.999  10.144  -6.539
  411    QG   PRO  48           QG       PRO  48   6.295   8.060  -7.483
  412    QD   PRO  48           QD       PRO  48   5.275   6.676  -5.981
  413    H    GLN  49           HN       GLN  49   2.981  11.701  -6.117
  414    HA   GLN  49           HA       GLN  49   1.045  10.630  -8.072
  415   1HB   GLN  49          2HB       GLN  49   1.174  13.023  -6.214
  416   2HB   GLN  49          3HB       GLN  49   0.232  13.133  -7.692
  417   1HG   GLN  49          2HG       GLN  49  -0.167  10.994  -5.565
  418   2HG   GLN  49          3HG       GLN  49  -1.153  12.453  -5.762
  419   1HE2  GLN  49          2HE2      GLN  49  -1.773   9.268  -8.263
  420   2HE2  GLN  49          1HE2      GLN  49  -0.709   9.187  -6.857
  421    QB   GLN  49           QB       GLN  49   0.703  13.078  -6.953
  422    QG   GLN  49           QG       GLN  49  -0.660  11.724  -5.664
  423    QE2  GLN  49           QE2      GLN  49  -1.241   9.228  -7.560
  424    H    SER  50           HN       SER  50   0.724  11.832 -10.006
  425    HA   SER  50           HA       SER  50   2.646  13.719 -10.983
  426   1HB   SER  50          2HB       SER  50   2.896  10.917 -12.170
  427   2HB   SER  50          3HB       SER  50   3.764  12.365 -12.660
  428    HG   SER  50           HG       SER  50   4.272  12.116 -10.091
  429    QB   SER  50           QB       SER  50   3.330  11.641 -12.415
  430    H    HIS  51           HN       HIS  51   0.297  11.157 -11.762
  431    HA   HIS  51           HA       HIS  51  -0.466  12.149 -14.316
  432   1HB   HIS  51          2HB       HIS  51  -2.248  10.455 -14.101
  433   2HB   HIS  51          3HB       HIS  51  -0.632   9.829 -13.796
  434    HD1  HIS  51           HD1      HIS  51  -3.486  11.214 -11.610
  435    HD2  HIS  51           HD2      HIS  51  -0.387   8.410 -11.548
  436    HE1  HIS  51           HE1      HIS  51  -3.853   9.792  -9.507
  437    QB   HIS  51           QB       HIS  51  -1.440  10.142 -13.949
   
   
  No H/Q in entry =         437