*HEADER   R1ATXMR   14-MAY-90 
*COMPND   /ATX$ IA (/NMR$)
*SOURCE   SEA ANEMONE (ANEMONIA $SULCATA)                               
*EXPDTA   NMR
*AUTHOR   M.BILLETER,H.WIDMER,K.WUTHRICH                                
*COORDS   1ATX
*REMARK                                                                         
*REMARK    HYDROGEN ATOMS IN THIS ENTRY HAVE BEEN ASSIGNED NAMES                
*REMARK    CONSISTENT WITH THE RECOMMENDATIONS OF THE IUPAC-IUB                 
*REMARK    COMMISSION ON BIOCHEMICAL NOMENCLATURE (SEE,E.G., J.MOL.             
*REMARK    BIOL. 52, 1 (1970)).  THE PROTEIN DATA BANK HAS FOLLOWED             
*REMARK    RULE 4.4 OF THE RECOMMENDATIONS WITH THE FOLLOWING                   
*REMARK    MODIFICATION - WHEN MORE THAN ONE HYDROGEN ATOM IS BONDED            
*REMARK    TO A SINGLE NON-HYDROGEN ATOM, THE HYDROGEN ATOM NUMBER              
*REMARK    DESIGNATION IS GIVEN AS THE FIRST CHARACTER OF THE ATOM              
*REMARK    NAME RATHER THAN AS THE LAST CHARACTER (E.G. H*BETA*1 IS             
*REMARK    DENOTED AS 1HB).  
*REMARK
*REMARK    THE FOLLOWING IS A LIST OF HYDROGEN ATOMS WHICH HAVE BEEN
*REMARK    RENAMED TO FOLLOW THE RULES GIVEN ABOVE.
*REMARK                    ATOM SERIAL             OLD    NEW
*REMARK                    NUMBER IN               ATOM   ATOM
*REMARK                    ORIGINAL                NAME   NAME
*REMARK                    DATA                                                 
*REMARK    
HEADER    SEA ANEMONE TOXIN                       03-MAY-90   1ATX      1ATX   3
COMPND    /ATX$ IA                                                      1ATX   4
SOURCE    ANEMONIA SULCATA                                              1ATX   5
AUTHOR    M.BILLETER,H.WIDMER,K.WUTHRICH                                1ATX   6
COORDS    1ATX                                                          1ATX   7
REMARK   1                                                              1ATX   8
REMARK   1 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION   1ATX   9
REMARK   1 OF THE THREE-DIMENSIONAL STRUCTURE OF ATX Ia BY NUCLEAR      1ATX  10
REMARK   1 MAGNETIC RESONANCE IN SOLUTION.                              1ATX  11
REMARK   1 THE DIFFERENT KINDS OF DATA TOGETHER WITH THE CORRESPONDING  1ATX  12
REMARK   1 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE. SEE     1ATX  13
REMARK   1 REMARK 2 FOR DETAILS.                                        1ATX  14
REMARK   1                                                              1ATX  15
REMARK   1 RECORD CONTENT                                     UNIT      1ATX  16
REMARK   1 ------ ------------------------------------------- --------- 1ATX  17
REMARK   1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED PROTONS     PPM       1ATX  18
REMARK   1 JCOUPL VICINAL 1H-1H SCALAR COUPLING CONSTANTS     HERTZ     1ATX  19
REMARK   1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1ATX  20
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            1ATX  21
REMARK   1 HBUPP  UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1ATX  22
REMARK   1        FOR HYDROGEN BONDS                                    1ATX  23
REMARK   1 SSUPP  UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1ATX  24
REMARK   1        FOR DISULPHIDE BRIDGES                                1ATX  25
REMARK   1 NOELOW LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1ATX  26
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            1ATX  27
REMARK   1        (NOT USED HERE)                                       1ATX  28
REMARK   1 HBLOW  LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1ATX  29
REMARK   1        FOR HYDROGEN BONDS                                    1ATX  30
REMARK   1 SSLOW  LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1ATX  31
REMARK   1        FOR DISULPHIDE BRIDGES                                1ATX  32
REMARK   1 ANGLE  TORSION ANGLE CONSTRAINTS IN THE FORM OF    DEGREES   1ATX  33
REMARK   1        AN ALLOWED INTERVAL                                   1ATX  34
REMARK   1                                                              1ATX  35
REMARK   1 SEVERAL COMPUTATIONAL STEPS WERE USED FOR THE STRUCTURE      1ATX  36
REMARK   1 DETERMINATION OF ATX Ia. THE INITIAL STEPS RESULTED IN THE   1ATX  37
REMARK   1 DEFINITION OF THE ANGLE CONSTRAINTS (SEE H. WIDMER,          1ATX  37
REMARK   1 M. BILLETER AND K. WUTHRICH, PROTEINS, 6, 357 (1989). THE    1ATX  38
REMARK   1 TWO MAJOR STEPS ARE DISTANCE GEOMETRY CALCULATIONS WITH THE  1ATX  39
REMARK   1 PROGRAM DISMAN USING THE DATA LISTED UNDER NOEUPP, ANGLE,    1ATX  40
REMARK   1 HBUPP, HBLOW, SSUPP AND SSLOW, FOLLOWED BY A RESTRAINED      1ATX  41
REMARK   1 ENERGY REFINEMENT WITH THE PROGRAM AMBER WHICH USED ONLY     1ATX  42
REMARK   1 DATA LISTED UNDER NOEUPP AND ANGLE.                          1ATX  43
REMARK   2                                                              1ATX  44
REMARK   2 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE        1ATX  45
REMARK   2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE     1ATX  46
REMARK   2 MASTER RECORD.                                               1ATX  47
REMARK   2                                                              1ATX  48
REMARK   2 RECORD CONTENTS (FORTRAN FORMAT)                             1ATX  49
REMARK   2 ------ ----------------------------------------------------- 1ATX  50
REMARK   2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL     1ATX  51
REMARK   2        SHIFT(S), ATOM NAME, CHEMICAL SHIFT(S), ATOM NAME,    1ATX  52
REMARK   2        CHEMICAL SHIFT(S)                                     1ATX  53
REMARK   2        ('SHIFTS',2X,A4,I4,2X,3(A4,2F6.2,2X))                 1ATX  54
REMARK   2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM   1ATX  55
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      1ATX  56
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      1ATX  57
REMARK   2        NAME, J-COUPLING CONSTANT                             1ATX  58
REMARK   2        ('JCOUPL',2X,A4,I4,2X,3(A4,1X,A4,F6.2,3X))            1ATX  59
REMARK   2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM  1ATX  60
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     1ATX  61
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM    1ATX  62
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     1ATX  63
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT                1ATX  64
REMARK   2        ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))   1ATX  65
REMARK   2 HBUPP  SIMILAR TO NOEUPP                                     1ATX  66
REMARK   2 SSUPP  SIMILAR TO NOEUPP                                     1ATX  67
REMARK   2 NOELOW SIMILAR TO NOEUPP, BUT WITH LOWER DISTANCE LIMITS     1ATX  68
REMARK   2 HBLOW  SIMILAR TO NOELOW                                     1ATX  69
REMARK   2 SSLOW  SIMILAR TO NOELOW                                     1ATX  70
REMARK   2 ANGLE  RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND   1ATX  71
REMARK   2        UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND        1ATX  72
REMARK   2        ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X))                  1ATX  73
REMARK   2 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS,   1ATX  74
REMARK   2        NUMBER OF SHIFTS RECORDS, NUMBER OF JCOUPL RECORDS,   1ATX  75
REMARK   2        NUMBER OF NOEUPP, HBUPP AND SSUPP RECORDS, NUMBER OF  1ATX  76
REMARK   2        NOELOW, HBLOW AND SSLOW RECORDS, NUMBER OF ANGLE      1ATX  77
REMARK   2        RECORDS                                               1ATX  78
REMARK   2        ('MASTER',4X,7I5)                                     1ATX  79
REMARK   3                                                              1ATX  80
REMARK   3 ATOM NAMES HAVE BEEN ASSIGNED FOLLOWING THE RECOMMENDATIONS  1ATX  81
REMARK   3 OF THE IUPAC-IUB COMMISSION AS PUBLISHED IN BIOCHEMISTRY     1ATX  82
REMARK   3 (1970) VOL. 9, 3471-3479, EXCEPT THAT BACKBONE AMIDE         1ATX  83
REMARK   3 HYDROGENS ARE DENOTED BY HN INSTEAD OF H. THE HYDROGEN ATOM  1ATX  84
REMARK   3 NUMBERS OF THOSE HYDROGEN ATOMS WHICH ARE CONNECTED TO THE   1ATX  85
REMARK   3 SAME NON-HYDROGEN ATOM ARE WRITTEN AS THE FIRST CHARACTER    1ATX  86
REMARK   3 RATHER THAN THE LAST CHARACTER OF THE ATOM NAMES.            1ATX  87
REMARK   3 THEY ARE IDENTICAL WITH THE ATOM NAMES USED IN THE CO-       1ATX  88
REMARK   3 ORDINATE FILE 1ATX.                                          1ATX  89
REMARK   4                                                              1ATX  90
REMARK   4 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE     1ATX  91
REMARK   4 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS                1ATX  92
REMARK   4 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983)    1ATX  93
REMARK   4 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL     1ATX  94
REMARK   4 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR     1ATX  95
REMARK   4 WHICH NO STEREOSPECIFIC ASSIGNMENTS HAD BEEN OBTAINED. FOR   1ATX  96
REMARK   4 ALL METHYLENE GROUPS, EVEN IN THE CASES OF IDENTICAL SHIFTS, 1ATX  97
REMARK   4 TWO CHEMICAL SHIFTS ARE LISTED FOR THE TWO PROTONS.          1ATX  98
REMARK   4 TWO CHEMICAL SHIFTS ARE ALSO ALWAYS GIVEN FOR THE TWO        1ATX  99
REMARK   4 METHYLS IN THE ISOPROPYL GROUPS.                             1ATX 100
REMARK   5                                                              1ATX 101
REMARK   5 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE         1ATX 102
REMARK   5 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN         1ATX 103
REMARK   5 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ...         1ATX 104
REMARK   5 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF    1ATX 105
REMARK   5 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS  1ATX 106
REMARK   5 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE      1ATX 107
REMARK   5 HYDROGEN  ATOMS ARE ATTACHED.                                1ATX 108
REMARK   5 QQG AND QQD DENOTE THE PSEUDO-ATOMS FOR THE 6 HYDROGEN ATOMS 1ATX 109
REMARK   5 OF THE ISOPROPYL METHYL GROUPS OF VAL AND LEU, RESPECTIVELY. 1ATX 110
REMARK   5 QR IS THE PSEUDO-ATOM REPLACING THE DELTA AND EPSILON HYDRO- 1ATX 111
REMARK   5 GENS OF THE AROMATIC RINGS OF TYR AND PHE. IF THE DELTA AND  1ATX 112
REMARK   5 EPSILON PROTONS OF THE AROMATIC RINGS OF PHE AND TYR HAVE    1ATX 113
REMARK   5 DIFFERENT CHEMICAL SHIFTS, THE POSITIONS OF THE CARBON ATOMS 1ATX 114
REMARK   5 CG AND CZ, RESPECTIVELY, ARE USED AS PSEUDOATOM POSITIONS.   1ATX 115
REMARK   5                                                              1ATX 116

SHIFTS  GLY    1   HN   7.87        1HA   3.63        2HA   3.53        1ATX 117
SHIFTS  ALA    2   HN   8.69         HA   4.37         QB   1.34        1ATX 118
SHIFTS  ALA    3   HN   8.22         HA   4.97         QB   1.44        1ATX 119
SHIFTS  CYS    4   HN   8.13         HA   4.79        2HB   3.16        1ATX 120
SHIFTS  CYS    4  3HB   3.03                                            1ATX 121
SHIFTS  LEU    5   HN   8.59         HA   4.68         QB   1.74  1.52  1ATX 122
SHIFTS  LEU    5   HG   1.69         QQD  0.99  0.93                    1ATX 123
SHIFTS  CYS    6   HN   9.42         HA   4.49        2HB   2.51        1ATX 124
SHIFTS  CYS    6  3HB   3.37                                            1ATX 125
SHIFTS  LYS    7   HN   8.51         HA   4.10        2HB   2.36        1ATX 126
SHIFTS  LYS    7  3HB   1.91         QG   1.51  1.44   QD   1.71        1ATX 127
SHIFTS  LYS    7   QE   2.99         QZ   7.60                          1ATX 128
SHIFTS  SER    8   HN   8.44         HA   4.23         QB   4.07  3.78  1ATX 129
SHIFTS  ASP    9   HN   7.74         HA   4.65        2HB   3.05        1ATX 130
SHIFTS  ASP    9  3HB   2.97                                            1ATX 131
SHIFTS  GLY   10   HN   7.93        1HA   4.26        2HA   4.05        1ATX 132
SHIFTS  PRO   11   HA   4.45         QB   2.27  1.95   QG   2.02        1ATX 133
SHIFTS  PRO   11   QD   3.70  3.63                                      1ATX 134
SHIFTS  ASN   12   HN   8.70         HA   4.79         QB   2.97  2.71  1ATX 135
SHIFTS  ASN   12   QD2  7.72  6.93                                      1ATX 136
SHIFTS  THR   13   HN   8.06         HA   4.26         HB   4.25        1ATX 137
SHIFTS  THR   13   QG2  1.21                                            1ATX 138
SHIFTS  ARG   14   HN   8.49         HA   4.36        2HB   1.93        1ATX 139
SHIFTS  ARG   14  3HB   1.80         QG   1.66  1.58   QD   3.21        1ATX 140
SHIFTS  ARG   14   HE   7.24                                            1ATX 141
SHIFTS  GLY   15   HN   8.38        1HA   4.04        2HA   3.82        1ATX 142
SHIFTS  ASN   16   HN   8.18         HA   4.82        2HB   2.85        1ATX 143
SHIFTS  ASN   16  3HB   2.82         QD2  7.66  6.92                    1ATX 144
SHIFTS  SER   17   HN   8.32         HA   4.43         QB   3.86  3.80  1ATX 145
SHIFTS  MET   18   HN   8.15         HA   4.45         QB   1.97  1.87  1ATX 146
SHIFTS  MET   18   QG   2.60  1.87   QE   2.07                          1ATX 147
SHIFTS  SER   19   HN  10.11         HA   4.74         QB   4.06  3.84  1ATX 148
SHIFTS  GLY   20   HN   8.59        1HA   4.03        2HA   4.77        1ATX 149
SHIFTS  THR   21   HN   9.77         HA   4.92         HB   4.00        1ATX 150
SHIFTS  THR   21   QG2  0.71                                            1ATX 151
SHIFTS  ILE   22   HN   8.79         HA   4.73         HB   1.53        1ATX 152
SHIFTS  ILE   22   QG2  0.71         QG1  1.29  0.69   QD1  0.74        1ATX 153
SHIFTS  TRP   23   HN   9.13         HA   4.53        2HB   3.30        1ATX 154
SHIFTS  TRP   23  3HB   2.71         HD1  6.60         HE3  7.66        1ATX 155
SHIFTS  TRP   23   HZ3  7.02         HH2  6.99         HZ2  6.81        1ATX 156
SHIFTS  VAL   24   HN   8.67         HA   3.68         HB   1.58        1ATX 157
SHIFTS  VAL   24   QQG  0.75  0.26                                      1ATX 158
SHIFTS  PHE   25   HN   8.88         HA   4.91        2HB   3.50        1ATX 159
SHIFTS  PHE   25  3HB   2.98         QR   7.38  7.30                    1ATX 160
SHIFTS  GLY   26   HN   6.86        1HA   4.04        2HA   2.59        1ATX 161
SHIFTS  CYS   27   HN   8.33         HA   4.33        2HB   2.63        1ATX 162
SHIFTS  CYS   27  3HB   2.53                                            1ATX 163
SHIFTS  PRO   28   HA   4.22         QB   1.67  1.42   QG  -0.19        1ATX 164
SHIFTS  PRO   28   QD   2.37  1.34                                      1ATX 165
SHIFTS  SER   29   HN   8.30         HA   4.17         QB   3.81  3.78  1ATX 166
SHIFTS  GLY   30   HN   9.05        1HA   4.33        2HA   3.63        1ATX 167
SHIFTS  TRP   31   HN   8.46         HA   4.62        2HB   3.10        1ATX 168
SHIFTS  TRP   31  3HB   2.76         HE1 10.50         HD1  6.93        1ATX 169
SHIFTS  TRP   31   HE3  7.24         HZ3  7.51         HH2  7.50        1ATX 170
SHIFTS  TRP   31   HZ2  7.78                                            1ATX 171
SHIFTS  ASN   32   HN   9.04         HA   5.12        2HB   2.75        1ATX 172
SHIFTS  ASN   32  3HB   2.68         QD2  7.55                          1ATX 173
SHIFTS  ASN   33   HN   9.18         HA   4.89         QB   3.02  2.74  1ATX 174
SHIFTS  CYS   34   HN  10.05         HA   5.22         QB   3.38  3.37  1ATX 175
SHIFTS  GLU   35   HN   9.56         HA   4.06         QB   2.52  2.13  1ATX 176
SHIFTS  GLU   35   QG   2.35  2.28                                      1ATX 177
SHIFTS  GLY   36   HN   9.08        1HA   4.44        2HA   3.58        1ATX 178
SHIFTS  ARG   37   HN   9.08         HA   4.55         QB   1.84  1.75  1ATX 179
SHIFTS  ARG   37   QG   1.62         QD   3.19         HE   7.34        1ATX 180
SHIFTS  ALA   38   HN   8.76         HA   4.04         QB   1.35        1ATX 181
SHIFTS  ILE   39   HN   7.58         HA   4.49         HB   1.65        1ATX 182
SHIFTS  ILE   39   QG2  0.85         QG1  1.00  0.77   QD1  0.58        1ATX 183
SHIFTS  ILE   40   HN   8.01         HA   4.09         HB   1.71        1ATX 184
SHIFTS  ILE   40   QG2  0.78         QG1  1.43  1.10   QD1  0.78        1ATX 185
SHIFTS  GLY   41   HN   8.02        1HA   4.31        2HA   3.61        1ATX 186
SHIFTS  TYR   42   HN   7.78         HA   4.35         QB   2.86  2.78  1ATX 187
SHIFTS  TYR   42   QR   7.14  6.80   CG   7.14         CZ   6.80        1ATX 188
SHIFTS  CYS   43   HN   9.75         HA   5.10        2HB   2.68        1ATX 189
SHIFTS  CYS   43  3HB   2.99                                            1ATX 190
SHIFTS  CYS   44   HN   9.29         HA   6.06         QB   3.33  3.19  1ATX 191
SHIFTS  LYS   45   HN   9.76         HA   5.22        2HB   1.97        1ATX 192
SHIFTS  LYS   45  3HB   2.03         QG   1.72  1.60                    1ATX 193
SHIFTS  LYS   45   QD   1.84  1.71   QE   2.99         QZ   7.52        1ATX 194
SHIFTS  GLN   46   HN   8.52         HA   3.99         QB   1.55  1.19  1ATX 195
SHIFTS  GLN   46   QG   0.78  0.27   QE2  6.72                          1ATX 196
JCOUPL  ALA    2   HN   HA   6.50                                       1ATX 197
JCOUPL  ALA    3   HN   HA   6.25                                       1ATX 198
JCOUPL  CYS    4   HN   HA   9.00                                       1ATX 199
JCOUPL  LEU    5   HN   HA   8.50                                       1ATX 200
JCOUPL  CYS    6   HN   HA   7.00                                       1ATX 201
JCOUPL  LYS    7   HN   HA   5.75                                       1ATX 202
JCOUPL  SER    8   HN   HA   6.75                                       1ATX 203
JCOUPL  ASP    9   HN   HA   7.25                                       1ATX 204
JCOUPL  ASN   12   HN   HA   7.00                                       1ATX 205
JCOUPL  THR   13   HN   HA   6.50                                       1ATX 206
JCOUPL  ARG   14   HN   HA   6.50                                       1ATX 207
JCOUPL  ASN   16   HN   HA   7.50                                       1ATX 208
JCOUPL  SER   17   HN   HA   7.00                                       1ATX 209
JCOUPL  MET   18   HN   HA   7.50                                       1ATX 210
JCOUPL  SER   19   HN   HA  10.00                                       1ATX 211
JCOUPL  THR   21   HN   HA  10.00                                       1ATX 212
JCOUPL  ILE   22   HN   HA   7.00                                       1ATX 213
JCOUPL  TRP   23   HN   HA  10.00                                       1ATX 214
JCOUPL  VAL   24   HN   HA   6.00                                       1ATX 215
JCOUPL  PHE   25   HN   HA   8.50                                       1ATX 216
JCOUPL  CYS   27   HN   HA   5.75                                       1ATX 217
JCOUPL  SER   29   HN   HA   5.50                                       1ATX 218
JCOUPL  TRP   31   HN   HA  10.00                                       1ATX 219
JCOUPL  ASN   32   HN   HA   9.25                                       1ATX 220
JCOUPL  ASN   33   HN   HA   6.50                                       1ATX 221
JCOUPL  CYS   34   HN   HA  10.00                                       1ATX 222
JCOUPL  GLU   35   HN   HA   8.00                                       1ATX 223
JCOUPL  ARG   37   HN   HA   7.75                                       1ATX 224
JCOUPL  ALA   38   HN   HA   8.75                                       1ATX 225
JCOUPL  ILE   39   HN   HA   9.50                                       1ATX 226
JCOUPL  ILE   40   HN   HA   9.25                                       1ATX 227
JCOUPL  TYR   42   HN   HA   8.00                                       1ATX 228
JCOUPL  CYS   43   HN   HA   9.00                                       1ATX 229
JCOUPL  CYS   44   HN   HA  10.25                                       1ATX 230
JCOUPL  LYS   45   HN   HA   9.25                                       1ATX 231
JCOUPL  GLN   46   HN   HA   7.50                                       1ATX 232
JCOUPL  CYS    4   HA  2HB   4.00    HA  3HB   2.80                     1ATX 233
JCOUPL  CYS    6   HA  3HB   3.50    HA  2HB  11.90                     1ATX 234
JCOUPL  LYS    7   HA  2HB   6.00    HA  3HB  10.00                     1ATX 235
JCOUPL  SER    8   HA  2HB   3.50    HA  3HB   3.50                     1ATX 236
JCOUPL  ASP    9   HA  2HB   3.50    HA  3HB  11.40                     1ATX 237
JCOUPL  PRO   11   HA  2HB   8.50    HA  3HB   4.00                     1ATX 238
JCOUPL  ARG   14   HA  2HB   5.00    HA  3HB   9.00                     1ATX 239
JCOUPL  MET   18   HA  2HB   3.50    HA  3HB  10.60                     1ATX 240
JCOUPL  SER   19   HA  2HB   3.50    HA  3HB   3.50                     1ATX 241
JCOUPL  THR   21   HA   HB   4.50                                       1ATX 242
JCOUPL  ILE   22   HA   HB  10.00                                       1ATX 243
JCOUPL  TRP   23   HA  3HB   3.00    HA  2HB  12.50                     1ATX 244
JCOUPL  PHE   25   HA  3HB   3.50    HA  2HB  12.00                     1ATX 245
JCOUPL  CYS   27   HA  2HB   4.00    HA  3HB  12.50                     1ATX 246
JCOUPL  TRP   31   HA  2HB  11.00    HA  3HB   3.00                     1ATX 247
JCOUPL  ASN   32   HA  2HB   3.50    HA  3HB  12.00                     1ATX 248
JCOUPL  ASN   33   HA  2HB  12.00    HA  3HB   3.50                     1ATX 249
JCOUPL  CYS   34   HA  2HB   3.50    HA  3HB   3.50                     1ATX 250
JCOUPL  GLU   35   HA  2HB  10.00    HA  3HB   5.00                     1ATX 251
JCOUPL  ILE   39   HA   HB   3.00                                       1ATX 252
JCOUPL  ILE   40   HA   HB  10.50                                       1ATX 253
JCOUPL  TYR   42   HA  2HB   3.00    HA  3HB  11.00                     1ATX 254
JCOUPL  CYS   43   HA  3HB  12.00    HA  2HB   3.50                     1ATX 255
JCOUPL  CYS   44   HA  2HB  12.00    HA  3HB   5.00                     1ATX 256
JCOUPL  LYS   45   HA  3HB   8.00    HA  2HB   4.00                     1ATX 257
JCOUPL  GLN   46   HA  2HB   5.00    HA  3HB  10.00                     1ATX 258
NOEUPP  GLY    1 1HA  ALA    2  HN   2.80     2HA  ALA    2  HN   2.80  1ATX 259
NOEUPP  ALA    2  HA  ALA    3  HN   2.80      QB  ALA    2  HN   3.10  1ATX 260
NOEUPP  ALA    3  QB  CYS    4  HN   3.50                               1ATX 261
NOEUPP  CYS    4  HA  LEU    5  HN   2.40     2HB  LEU    5  HN   3.00  1ATX 262
NOEUPP  CYS    4 3HB  LEU    5  HN   4.00                               1ATX 263
NOEUPP  LEU    5  HA  CYS    6  HN   2.40      QB  LEU    5  HN   3.10  1ATX 264
NOEUPP  CYS    6  HA  LYS    7  HN   2.80     3HB  LYS    7  HN   3.00  1ATX 265
NOEUPP  CYS    6 2HB  LYS    7  HN   4.00     3HB  CYS    6  HN   4.00  1ATX 266
NOEUPP  CYS    6 2HB  CYS    6  HN   3.00                               1ATX 267
NOEUPP  LYS    7 2HB  LYS    7  HN   3.00     3HB  LYS    7  HN   3.00  1ATX 268
NOEUPP  SER    8  QB  SER    8  HN   3.60                               1ATX 269
NOEUPP  ASP    9  HA  GLY   10  HN   2.80     2HB  ASP    9  HN   3.00  1ATX 270
NOEUPP  ASP    9 3HB  ASP    9  HN   3.00                               1ATX 271
NOEUPP  PRO   11  HA  ASN   12  HN   2.40                               1ATX 272
NOEUPP  ASN   12  HA  THR   13  HN   2.80      QB  ASN   12  HN   3.60  1ATX 273
NOEUPP  THR   13  HA  ARG   14  HN   2.40                               1ATX 274
NOEUPP  ARG   14 2HB  ARG   14  HN   3.00     3HB  ARG   14  HN   3.00  1ATX 275
NOEUPP  ASN   16  QB  ASN   16  HN   3.60                               1ATX 276
NOEUPP  MET   18  HA  SER   19  HN   2.40      QB  MET   18  HN   3.60  1ATX 277
NOEUPP  SER   19  HN  GLY   20  HN   3.00                               1ATX 278
NOEUPP  THR   21  HB  THR   21  HN   3.00                               1ATX 279
NOEUPP  ILE   22  HA  TRP   23  HN   2.40      HB  ILE   22  HN   2.50  1ATX 280
NOEUPP  TRP   23  HA  VAL   24  HN   2.40     3HB  TRP   23  HN   4.00  1ATX 281
NOEUPP  TRP   23 2HB  TRP   23  HN   2.50                               1ATX 282
NOEUPP  VAL   24  HN  PHE   25  HN   4.00      HB  PHE   25  HN   3.00  1ATX 283
NOEUPP  VAL   24  HB  VAL   24  HN   2.50                               1ATX 284
NOEUPP  PHE   25  HN  GLY   26  HN   3.00     2HB  PHE   25  HN   2.50  1ATX 285
NOEUPP  CYS   27 2HB  CYS   27  HN   2.50     3HB  CYS   27  HN   3.00  1ATX 286
NOEUPP  PRO   28  HA  SER   29  HN   2.80                               1ATX 287
NOEUPP  SER   29  HA  GLY   30  HN   2.40      QB  SER   29  HN   3.60  1ATX 288
NOEUPP  GLY   30  HN  TRP   31  HN   3.00                               1ATX 289
NOEUPP  TRP   31  HA  ASN   32  HN   2.40     2HB  TRP   31  HN   2.50  1ATX 290
NOEUPP  ASN   32  HA  ASN   33  HN   2.80                               1ATX 291
NOEUPP  CYS   34  HN  GLU   35  HN   4.00      HA  GLU   35  QB   5.00  1ATX 292
NOEUPP  GLU   35  HA  GLY   36  HN   2.80      HN  GLY   36  HN   4.00  1ATX 293
NOEUPP  ARG   37  HA  ALA   38  HN   2.40      HN  ALA   38  HN   4.00  1ATX 294
NOEUPP  ALA   38  HA  ILE   39  HN   2.80      HN  ILE   39  HN   4.00  1ATX 295
NOEUPP  ALA   38  QB  ALA   38  HN   3.60                               1ATX 296
NOEUPP  ILE   39  HA  ILE   40  HN   2.90      HB  ILE   40  HN   3.00  1ATX 297
NOEUPP  ILE   40  HB  ILE   40  HN   2.50                               1ATX 298
NOEUPP  TYR   42  HA  CYS   43  HN   2.40                               1ATX 299
NOEUPP  CYS   43  HA  CYS   44  HN   2.80     3HB  CYS   43  HN   3.00  1ATX 300
NOEUPP  CYS   43 2HB  CYS   43  HN   3.00                               1ATX 301
NOEUPP  CYS   44  HA  LYS   45  HN   2.40      HA  LYS   45 2HB   5.00  1ATX 302
NOEUPP  LYS   45  HA  GLN   46  HN   2.80     3HB  LYS   45  HN   3.00  1ATX 303
NOEUPP  LYS   45 2HB  LYS   45  HN   3.00                               1ATX 304
NOEUPP  GLN   46  QB  GLN   46  HN   3.60                               1ATX 305
NOEUPP  CYS    4  HA  LEU    5  QQD  6.40                               1ATX 306
NOEUPP  LEU    5  QQD CYS    6  HN   6.40      HG  LEU    5  HN   3.00  1ATX 307
NOEUPP  GLY   10 1HA  PRO   11  QD   4.00     2HA  PRO   11  QD   4.00  1ATX 308
NOEUPP  THR   13  QG2 THR   13  HN   4.00                               1ATX 309
NOEUPP  ARG   14  QG  ARG   14  HN   4.00      HA  ARG   14  QG   3.60  1ATX 310
NOEUPP  ARG   14  HA  ARG   14  QD   4.00                               1ATX 311
NOEUPP  MET   18  QG  MET   18  HN   4.00                               1ATX 312
NOEUPP  THR   21  QG2 ILE   22  HN   4.00                               1ATX 313
NOEUPP  ILE   22  HA  TRP   23  HD1  4.00                               1ATX 314
NOEUPP  TRP   23  HE3 VAL   24  HN   5.00      HA  TRP   23  HE3  3.00  1ATX 315
NOEUPP  VAL   24  HB  PHE   25  QR   4.90      QQG PHE   25  QR   7.30  1ATX 316
NOEUPP  CYS   27  HA  PRO   28  QD   4.00      HA  PRO   28  QG   5.00  1ATX 317
NOEUPP  GLY   30 1HA  TRP   31  HD1  4.80     2HA  TRP   31  HD1  4.80  1ATX 318
NOEUPP  GLY   30  HN  TRP   31  HD1  5.00                               1ATX 319
NOEUPP  TRP   31  HN  TRP   31  HD1  3.00      HA  TRP   31  HD1  4.00  1ATX 320
NOEUPP  TRP   31  HA  TRP   31  HE3  4.00                               1ATX 321
NOEUPP  CYS   34  HA  GLU   35  QG   5.00                               1ATX 322
NOEUPP  GLU   35  QG  GLU   35  HN   4.00                               1ATX 323
NOEUPP  ARG   37  HA  ARG   37  QG   3.60      HA  ARG   37  QD   4.00  1ATX 324
NOEUPP  GLY   41 1HA  TYR   42  CG   6.00     2HA  TYR   42  CG   6.00  1ATX 325
NOEUPP  GLY   41 1HA  TYR   42  CZ   7.80     2HA  TYR   42  CZ   7.80  1ATX 326
NOEUPP  LYS   45  HA  LYS   45  QG   3.10                               1ATX 327
NOEUPP  GLN   46  QG  GLN   46  HN   4.00                               1ATX 328
NOEUPP  GLY    1 1HA  ILE   22  QG2  5.00     2HA  ILE   22  QG2  5.00  1ATX 329
NOEUPP  CYS    4  HA  MET   18  QB   5.00      HA  MET   18  QE   5.00  1ATX 330
NOEUPP  CYS    4  HN  GLY   20  HN   4.00     3HB  ILE   22  QG1  5.00  1ATX 331
NOEUPP  CYS    4  HA  ILE   39  QG2  6.00      HA  ILE   39  QD1  6.00  1ATX 332
NOEUPP  CYS    4 2HB  ILE   39  QD1  5.00     3HB  ILE   39  QD1  5.00  1ATX 333
NOEUPP  CYS    4 2HB  ILE   39  QG2  5.00     3HB  ILE   39  QG2  5.00  1ATX 334
NOEUPP  CYS    4  QB  CYS   43  HA   6.00                               1ATX 335
NOEUPP  LEU    5  QQD ASP    9  QB   7.40      QQD ASN   12  HN   6.40  1ATX 336
NOEUPP  LEU    5  QQD ASN   12  QB   7.40      QQD THR   13  HA   6.40  1ATX 337
NOEUPP  LEU    5  QQD SER   17  QB   8.40      HA  MET   18  HA   4.00  1ATX 338
NOEUPP  LEU    5  QB  MET   18  HA   5.00      HA  MET   18  QG   5.00  1ATX 339
NOEUPP  LEU    5  HN  MET   18  QB   6.00      HN  MET   18  QG   6.00  1ATX 340
NOEUPP  LEU    5  HN  MET   18  QE   6.00      QQD MET   18  HA   6.40  1ATX 341
NOEUPP  LEU    5  QQD MET   18  HN   7.40      QQD MET   18  QE   7.40  1ATX 342
NOEUPP  LEU    5  QQD MET   18  QG   7.40      QQD ARG   37  QD   8.40  1ATX 343
NOEUPP  CYS    6  HN  SER    8  HN   5.00     3HB  SER    8  HN   4.00  1ATX 344
NOEUPP  CYS    6 2HB  SER    8  HN   4.00      HN  ASP    9  HN   4.00  1ATX 345
NOEUPP  CYS    6  HN  ASP    9 2HB   4.00      QB  ASP    9  HN   6.00  1ATX 346
NOEUPP  LYS    7  QB  GLU   35  QB   6.00                               1ATX 347
NOEUPP  THR   13  QG2 SER   17  QB   7.00                               1ATX 348
NOEUPP  MET   18  HA  GLY   20  HN   5.00                               1ATX 349
NOEUPP  SER   19  QB  LYS   45  QB   7.00      QB  LYS   45  QG   7.00  1ATX 350
NOEUPP  SER   19  QB  LYS   45  QD   7.00                               1ATX 351
NOEUPP  GLY   20 1HA  LYS   45  HA   5.80     2HA  LYS   45  HA   5.80  1ATX 352
NOEUPP  GLY   20 1HA  LYS   45  QB   6.80     2HA  LYS   45  QB   6.80  1ATX 353
NOEUPP  GLY   20 1HA  LYS   45  QG   6.80     2HA  LYS   45  QG   6.80  1ATX 354
NOEUPP  GLY   20 1HA  LYS   45  QD   6.80     2HA  LYS   45  QD   6.80  1ATX 355
NOEUPP  THR   21  HB  TRP   23  HD1  4.00      QG2 TRP   23  HD1  5.00  1ATX 356
NOEUPP  THR   21  QG2 TRP   23  HZ2  5.00      QG2 TRP   31  HZ2  5.00  1ATX 357
NOEUPP  THR   21  HB  TRP   31  HZ3  6.40      HB  TRP   31  HH2  6.40  1ATX 358
NOEUPP  THR   21  HB  TRP   31  HZ2  5.00      HB  TRP   31  HE3  4.00  1ATX 359
NOEUPP  THR   21  HB  CYS   44  HN   5.00      HN  CYS   44  HN   4.00  1ATX 360
NOEUPP  ILE   22  HA  ILE   39  QD1  5.00      HA  CYS   43  HA   4.00  1ATX 361
NOEUPP  ILE   22  HB  CYS   43  HA   5.00      QG2 CYS   43  HA   6.00  1ATX 362
NOEUPP  ILE   22  HA  CYS   44  HN   5.00                               1ATX 363
NOEUPP  TRP   23  HA  PHE   25  HN   5.00      QB  PHE   25  HN   6.00  1ATX 364
NOEUPP  TRP   23  QB  GLY   26  HN   6.00      QB  CYS   27  HA   5.00  1ATX 365
NOEUPP  TRP   23  HD1 CYS   27  HA   4.00      HE3 PRO   28  QG   5.00  1ATX 366
NOEUPP  TRP   23  HZ3 PRO   28  QG   7.40      HH2 PRO   28  QG   7.40  1ATX 367
NOEUPP  TRP   23  HZ2 PRO   28  QG   5.00      HE3 PRO   28  QD   5.00  1ATX 368
NOEUPP  TRP   23  HD1 TRP   31  HE3  6.00      HZ2 TRP   31  HZ3  6.40  1ATX 369
NOEUPP  TRP   23  HZ2 TRP   31  HH2  6.40      HZ2 TRP   31  HZ2  4.00  1ATX 370
NOEUPP  TRP   23  HZ2 TRP   31  HE3  5.00      HN  TYR   42  HN   4.00  1ATX 371
NOEUPP  TRP   23  HN  TYR   42  CG   7.00      HN  CYS   43  HA   4.00  1ATX 372
NOEUPP  TRP   23  HD1 CYS   44  HA   4.00      HD1 CYS   44  QB   5.00  1ATX 373
NOEUPP  TRP   23  HD1 CYS   44  HN   4.00                               1ATX 374
NOEUPP  VAL   24  HN  GLY   26  HN   5.00      HA  GLY   41 1HA   6.00  1ATX 375
NOEUPP  VAL   24  HA  GLY   41 2HA   6.00      QQG GLY   41 1HA   6.40  1ATX 376
NOEUPP  VAL   24  QQG GLY   41 2HA   6.40      QQG GLY   41  HN   7.40  1ATX 377
NOEUPP  VAL   24  HA  TYR   42  HN   4.00      HA  TYR   42  CG   6.00  1ATX 378
NOEUPP  PHE   25  HA  TYR   42  CG   6.00      HA  TYR   42  CZ   6.00  1ATX 379
NOEUPP  PHE   25  HN  TYR   42  CG   7.00                               1ATX 380
NOEUPP  GLY   26 1HA  TYR   42  CG   7.80     2HA  TYR   42  CG   7.80  1ATX 381
NOEUPP  GLY   26 1HA  TYR   42  CZ   7.80     2HA  TYR   42  CZ   7.80  1ATX 382
NOEUPP  CYS   27  QB  TRP   31  QB   6.00      QB  TRP   31  HE3  6.00  1ATX 383
NOEUPP  CYS   27  HN  TYR   42  CG   7.00      QB  CYS   44  HA   6.00  1ATX 384
NOEUPP  PRO   28  QD  TRP   31  HA   6.00      QB  TRP   31  HN   6.00  1ATX 385
NOEUPP  PRO   28  QG  TRP   31  HN   6.00      QB  TRP   31  HD1  5.00  1ATX 386
NOEUPP  PRO   28  QB  TRP   31  HE1  6.00      QG  TRP   31  HD1  5.00  1ATX 387
NOEUPP  PRO   28  QG  TRP   31  HE1  6.00      QD  TRP   31  HD1  5.00  1ATX 388
NOEUPP  SER   29  HA  TRP   31  HN   4.00      QB  TRP   31  HD1  6.00  1ATX 389
NOEUPP  TRP   31  HE3 CYS   44  HA   4.00      HE3 CYS   44  HN   5.00  1ATX 390
NOEUPP  TRP   31  HZ3 CYS   44  HN   7.40      HH2 CYS   44  HN   7.40  1ATX 391
NOEUPP  TRP   31  HE3 CYS   44  QB   5.00      HZ3 CYS   44  QB   8.40  1ATX 392
NOEUPP  TRP   31  HH2 CYS   44  QB   8.40      HE3 LYS   45  HN   5.00  1ATX 393
NOEUPP  TRP   31  HE3 LYS   45  HA   4.00      HE3 LYS   45  QB   6.00  1ATX 394
NOEUPP  TRP   31  HZ3 LYS   45  HA   6.40      HH2 LYS   45  HA   6.40  1ATX 395
NOEUPP  TRP   31  HZ3 LYS   45  HN   7.40      HH2 LYS   45  HN   7.40  1ATX 396
NOEUPP  TRP   31  HA  GLN   46  HA   4.00      HA  GLN   46  QG   5.00  1ATX 397
NOEUPP  TRP   31  HE3 GLN   46  HN   5.00      HZ3 GLN   46  HN   7.40  1ATX 398
NOEUPP  TRP   31  HH2 GLN   46  HN   7.40      HE1 GLN   46  QG   6.00  1ATX 399
NOEUPP  TRP   31  HD1 GLN   46  QG   6.00      HE3 GLN   46  QG   6.00  1ATX 400
NOEUPP  TRP   31  HZ3 GLN   46  QG   7.40      HH2 GLN   46  QG   7.40  1ATX 401
NOEUPP  TRP   31  HZ2 GLN   46  QG   5.00                               1ATX 402
NOEUPP  ASN   32  HN  LYS   45  HN   3.00     3HB  LYS   45  QZ   5.00  1ATX 403
NOEUPP  ASN   32  HN  GLN   46  HA   4.00                               1ATX 404
NOEUPP  ASN   33  HA  CYS   44  HA   4.00                               1ATX 405
NOEUPP  CYS   34  HN  CYS   43  HN   4.50      HN  CYS   44  HA   4.00  1ATX 406
NOEUPP  CYS   34  QB  LYS   45  QB   6.00      QB  LYS   45  QG   6.00  1ATX 407
NOEUPP  GLY   36 1HA  ILE   39  QD1  6.80     2HA  ILE   39  QD1  6.80  1ATX 408
NOEUPP  GLY   36  HN  ILE   39  QD1  6.00      HN  ILE   39  QG2  6.00  1ATX 409
NOEUPP  GLY   36  HN  ILE   39  QG1  6.00                               1ATX 410
NOEUPP  ILE   39  QD1 TYR   42  HA   5.00      QD1 CYS   43  HA   5.00  1ATX 411
NOEUPP  ILE   39  QD1 CYS   43  HN   5.00      QD1 CYS   43  QB   6.00  1ATX 412
HBUPP   ALA    2  O   ILE   22  N    3.00      O   ILE   22  HN   2.00  1ATX 413
HBUPP   CYS    4  N   GLY   20  O    3.00      HN  GLY   20  O    2.00  1ATX 414
HBUPP   CYS    4  O   GLY   20  N    3.00      O   GLY   20  HN   2.00  1ATX 415
HBUPP   CYS    6  N   SER   17  O    3.00      HN  SER   17  O    2.00  1ATX 416
HBUPP   THR   21  N   CYS   44  O    3.00      HN  CYS   44  O    2.00  1ATX 417
HBUPP   THR   21  O   CYS   44  N    3.00      O   CYS   44  HN   2.00  1ATX 418
HBUPP   TRP   23  N   TYR   42  O    3.00      HN  TYR   42  O    2.00  1ATX 419
HBUPP   TRP   23  O   TYR   42  N    3.00      O   TYR   42  HN   2.00  1ATX 420
HBUPP   PRO   28  O   TRP   31  N    3.00      O   TRP   31  HN   2.00  1ATX 421
HBUPP   ASN   32  N   LYS   45  O    3.00      HN  LYS   45  O    2.00  1ATX 422
HBUPP   ASN   32  O   LYS   45  N    3.00      O   LYS   45  HN   2.00  1ATX 423
HBUPP   CYS   34  N   CYS   43  O    3.00      HN  CYS   43  O    2.00  1ATX 424
HBUPP   CYS   34  O   CYS   43  N    3.00      O   CYS   43  HN   2.00  1ATX 425
SSUPP   CYS    4  CB  CYS   43  SG   3.10      SG  CYS   43  SG   2.10  1ATX 426
SSUPP   CYS    4  SG  CYS   43  CB   3.10                               1ATX 427
SSUPP   CYS    6  CB  CYS   34  SG   3.10      SG  CYS   34  SG   2.10  1ATX 428
SSUPP   CYS    6  SG  CYS   34  CB   3.10                               1ATX 429
SSUPP   CYS   27  CB  CYS   44  SG   3.10      SG  CYS   44  SG   2.10  1ATX 430
SSUPP   CYS   27  SG  CYS   44  CB   3.10                               1ATX 431
HBLOW   ALA    2  O   ILE   22  N    2.70      O   ILE   22  HN   1.80  1ATX 432
HBLOW   CYS    4  N   GLY   20  O    2.70      HN  GLY   20  O    1.80  1ATX 433
HBLOW   CYS    4  O   GLY   20  N    2.70      O   GLY   20  HN   1.80  1ATX 434
HBLOW   CYS    6  N   SER   17  O    2.70      HN  SER   17  O    1.80  1ATX 435
HBLOW   THR   21  N   CYS   44  O    2.70      HN  CYS   44  O    1.80  1ATX 436
HBLOW   THR   21  O   CYS   44  N    2.70      O   CYS   44  HN   1.80  1ATX 437
HBLOW   TRP   23  N   TYR   42  O    2.70      HN  TYR   42  O    1.80  1ATX 438
HBLOW   TRP   23  O   TYR   42  N    2.70      O   TYR   42  HN   1.80  1ATX 439
HBLOW   PRO   28  O   TRP   31  N    2.70      O   TRP   31  HN   1.80  1ATX 440
HBLOW   ASN   32  N   LYS   45  O    2.70      HN  LYS   45  O    1.80  1ATX 441
HBLOW   ASN   32  O   LYS   45  N    2.70      O   LYS   45  HN   1.80  1ATX 442
HBLOW   CYS   34  N   CYS   43  O    2.70      HN  CYS   43  O    1.80  1ATX 443
HBLOW   CYS   34  O   CYS   43  N    2.70      O   CYS   43  HN   1.80  1ATX 444
SSLOW   CYS    4  CB  CYS   43  SG   3.00      SG  CYS   43  SG   2.00  1ATX 445
SSLOW   CYS    4  SG  CYS   43  CB   3.00                               1ATX 446
SSLOW   CYS    6  CB  CYS   34  SG   3.00      SG  CYS   34  SG   2.00  1ATX 447
SSLOW   CYS    6  SG  CYS   34  CB   3.00                               1ATX 448
SSLOW   CYS   27  CB  CYS   44  SG   3.00      SG  CYS   44  SG   2.00  1ATX 449
SSLOW   CYS   27  SG  CYS   44  CB   3.00                               1ATX 450
ANGLE   SER    8                              CHI1   160.00  250.00     1ATX 451
ANGLE   CYS    4 PHI     50.00  290.00        CHI1    40.00   90.00     1ATX 452
ANGLE   LEU    5 PHI   -140.00  -70.00                                  1ATX 453
ANGLE   CYS    6 PHI    180.00  300.00        CHI1  -100.00  -40.00     1ATX 454
ANGLE   LYS    7 PHI   -100.00  -50.00        CHI1   140.00  170.00     1ATX 455
ANGLE   SER    8 PHI   -180.00   60.00        CHI1    40.00  250.00     1ATX 456
ANGLE   ASP    9 PHI   -150.00  -60.00        CHI1   160.00  220.00     1ATX 457
ANGLE   ASN   12 PHI   -150.00  -60.00                                  1ATX 458
ANGLE   THR   13 PHI     30.00  310.00                                  1ATX 459
ANGLE   ARG   14 PHI   -110.00  -50.00        CHI1   140.00  240.00     1ATX 460
ANGLE   ASN   16 PHI   -150.00  -60.00                                  1ATX 461
ANGLE   SER   17 PHI     30.00  300.00                                  1ATX 462
ANGLE   MET   18 PHI   -180.00   70.00        CHI1    90.00  230.00     1ATX 463
ANGLE   SER   19 PHI   -160.00  -80.00        CHI1    40.00  250.00     1ATX 464
ANGLE   THR   21 PHI   -160.00  -80.00        CHI1   150.00  360.00     1ATX 465
ANGLE   ILE   22 PHI   -140.00  -60.00        CHI1  -110.00  -70.00     1ATX 466
ANGLE   TRP   23 PHI   -140.00  -80.00        CHI1   160.00  320.00     1ATX 467
ANGLE   VAL   24 PHI   -100.00  -50.00                                  1ATX 468
ANGLE   PHE   25 PHI   -140.00  -70.00        CHI1   160.00  320.00     1ATX 469
ANGLE   CYS   27 PHI   -100.00  -50.00        CHI1   170.00  220.00     1ATX 470
ANGLE   SER   29 PHI   -100.00  -40.00                                  1ATX 471
ANGLE   TRP   31 PHI   -140.00  -80.00        CHI1   160.00  320.00     1ATX 472
ANGLE   ASN   32 PHI     40.00  290.00        CHI1   -10.00  220.00     1ATX 473
ANGLE   ASN   33 PHI     30.00  310.00        CHI1  -250.00   10.00     1ATX 474
ANGLE   CYS   34 PHI   -160.00  -80.00        CHI1    40.00  250.00     1ATX 475
ANGLE   GLU   35 PHI     30.00  290.00        CHI1   -50.00  170.00     1ATX 476
ANGLE   ARG   37 PHI     30.00  290.00                                  1ATX 477
ANGLE   ILE   39 PHI   -160.00  -80.00        CHI1   -10.00   80.00     1ATX 478
ANGLE   ILE   40 PHI   -140.00  -70.00        CHI1  -110.00  -40.00     1ATX 479
ANGLE   TYR   42 PHI     30.00  290.00        CHI1  -270.00   30.00     1ATX 480
ANGLE   CYS   43 PHI   -150.00  -70.00        CHI1   180.00  220.00     1ATX 481
ANGLE   CYS   44 PHI   -160.00  -80.00        CHI1  -250.00   10.00     1ATX 482
ANGLE   LYS   45 PHI   -150.00  -70.00        CHI1  -160.00 -120.00     1ATX 483
MASTER      109    0   80   62  173   19   33                           1ATX 484
END                                                                     1ATX 485
  Start of MODEL            1
 Raw file had 401 H/Q atoms
        Entry                  Orig Data
    1   1H    GLY   1          2HN   GLY   1  -0.313   0.307  -0.915
    2   2H    GLY   1          3HN   GLY   1  -0.362  -0.933   0.181
    3   3H    GLY   1          1HN   GLY   1  -0.244   0.632   0.707
    4   1HA   GLY   1          1HA   GLY   1   1.917  -0.078   0.945
    5   2HA   GLY   1          2HA   GLY   1   1.772  -1.050  -0.547
    6    QA   GLY   1           QA   GLY   1   1.845  -0.564   0.199
    7    H    ALA   2           HN   ALA   2   3.936   0.701  -0.382
    8    HA   ALA   2           HA   ALA   2   3.217   2.815  -2.374
    9   1HB   ALA   2          3HB   ALA   2   4.168   3.760  -0.302
   10   2HB   ALA   2          1HB   ALA   2   5.579   2.701  -0.446
   11   3HB   ALA   2          2HB   ALA   2   5.283   3.948  -1.667
   12    QB   ALA   2           QB   ALA   2   5.010   3.470  -0.805
   13    H    ALA   3           HN   ALA   3   5.241   3.165  -3.837
   14    HA   ALA   3           HA   ALA   3   5.834   0.651  -5.157
   15   1HB   ALA   3          3HB   ALA   3   6.309   3.557  -5.718
   16   2HB   ALA   3          1HB   ALA   3   7.305   2.346  -6.536
   17   3HB   ALA   3          2HB   ALA   3   5.544   2.298  -6.715
   18    QB   ALA   3           QB   ALA   3   6.386   2.734  -6.323
   19    H    CYS   4           HN   CYS   4   7.973  -0.231  -5.451
   20    HA   CYS   4           HA   CYS   4  10.230   0.868  -3.879
   21   2HB   CYS   4          2HB   CYS   4  10.565  -1.040  -2.641
   22   3HB   CYS   4          3HB   CYS   4   8.800  -1.021  -2.674
   23    QB   CYS   4           QB   CYS   4   9.682  -1.031  -2.658
   24    H    LEU   5           HN   LEU   5  12.229  -0.112  -4.343
   25    HA   LEU   5           HA   LEU   5  12.796  -0.724  -7.118
   26   2HB   LEU   5          2HB   LEU   5  14.467  -0.983  -4.590
   27   3HB   LEU   5          3HB   LEU   5  15.078  -1.144  -6.242
   28    HG   LEU   5           HG   LEU   5  13.783   1.395  -5.144
   29   1HD1  LEU   5          3HD1  LEU   5  16.652   0.441  -5.191
   30   2HD1  LEU   5          1HD1  LEU   5  16.254   2.165  -5.207
   31   3HD1  LEU   5          2HD1  LEU   5  15.718   1.147  -3.854
   32   1HD2  LEU   5          2HD2  LEU   5  13.767   1.161  -7.667
   33   2HD2  LEU   5          3HD2  LEU   5  14.760   2.494  -7.084
   34   3HD2  LEU   5          1HD2  LEU   5  15.533   0.987  -7.615
   35    QB   LEU   5           QB   LEU   5  14.773  -1.064  -5.416
   36    QD1  LEU   5           QD1  LEU   5  16.208   1.251  -4.751
   37    QD2  LEU   5           QD2  LEU   5  14.687   1.547  -7.455
   38    QQD  LEU   5           QQD  LEU   5  15.447   1.399  -6.103
   39    H    CYS   6           HN   CYS   6  12.581  -2.623  -8.015
   40    HA   CYS   6           HA   CYS   6  11.944  -5.025  -6.474
   41   2HB   CYS   6          2HB   CYS   6  11.499  -3.940  -9.199
   42   3HB   CYS   6          3HB   CYS   6  12.078  -5.592  -9.235
   43    QB   CYS   6           QB   CYS   6  11.788  -4.766  -9.217
   44    H    LYS   7           HN   LYS   7  13.112  -6.868  -6.681
   45    HA   LYS   7           HA   LYS   7  15.864  -6.781  -6.333
   46   2HB   LYS   7          2HB   LYS   7  14.588  -8.641  -5.544
   47   3HB   LYS   7          3HB   LYS   7  14.087  -9.092  -7.179
   48   1HG   LYS   7          2HG   LYS   7  16.489  -9.712  -7.725
   49   2HG   LYS   7          3HG   LYS   7  16.949  -9.083  -6.146
   50   1HD   LYS   7          2HD   LYS   7  17.084 -11.345  -5.896
   51   2HD   LYS   7          3HD   LYS   7  15.586 -10.960  -5.095
   52   2HE   LYS   7          2HE   LYS   7  15.971 -12.193  -7.873
   53   3HE   LYS   7          3HE   LYS   7  15.407 -13.020  -6.415
   54   1HZ   LYS   7          1HZ   LYS   7  13.475 -11.577  -6.457
   55   2HZ   LYS   7          2HZ   LYS   7  13.975 -10.917  -7.864
   56   3HZ   LYS   7          3HZ   LYS   7  13.585 -12.502  -7.798
   57    QB   LYS   7           QB   LYS   7  14.337  -8.866  -6.361
   58    QG   LYS   7           QG   LYS   7  16.719  -9.398  -6.936
   59    QD   LYS   7           QD   LYS   7  16.335 -11.153  -5.496
   60    QE   LYS   7           QE   LYS   7  15.689 -12.606  -7.144
   61    QZ   LYS   7           QZ   LYS   7  13.486 -12.028  -7.139
   62    H    SER   8           HN   SER   8  14.118  -7.072  -9.386
   63    HA   SER   8           HA   SER   8  16.107  -8.156 -11.074
   64   2HB   SER   8          2HB   SER   8  14.843  -6.800 -12.814
   65   3HB   SER   8          3HB   SER   8  13.851  -7.886 -11.825
   66    HG   SER   8           HG   SER   8  14.078  -5.082 -11.640
   67    QB   SER   8           QB   SER   8  14.347  -7.343 -12.319
   68    H    ASP   9           HN   ASP   9  15.659  -4.930  -9.638
   69    HA   ASP   9           HA   ASP   9  18.076  -3.890 -11.005
   70   2HB   ASP   9          2HB   ASP   9  15.605  -2.868 -10.886
   71   3HB   ASP   9          3HB   ASP   9  16.127  -2.304  -9.301
   72    QB   ASP   9           QB   ASP   9  15.866  -2.586 -10.094
   73    H    GLY  10           HN   GLY  10  19.836  -4.388  -9.705
   74   1HA   GLY  10          1HA   GLY  10  19.512  -4.903  -6.838
   75   2HA   GLY  10          2HA   GLY  10  20.985  -5.017  -7.788
   76    QA   GLY  10           QA   GLY  10  20.249  -4.960  -7.313
   77    HA   PRO  11           HA   PRO  11  21.575  -1.087  -5.454
   78   2HB   PRO  11          2HB   PRO  11  24.273  -0.857  -5.642
   79   3HB   PRO  11          3HB   PRO  11  23.487  -2.049  -4.574
   80   1HG   PRO  11          2HG   PRO  11  24.618  -2.522  -7.341
   81   2HG   PRO  11          3HG   PRO  11  24.883  -3.497  -5.865
   82   1HD   PRO  11          2HD   PRO  11  23.021  -4.124  -7.785
   83   2HD   PRO  11          3HD   PRO  11  22.755  -4.502  -6.054
   84    QB   PRO  11           QB   PRO  11  23.880  -1.453  -5.108
   85    QG   PRO  11           QG   PRO  11  24.750  -3.010  -6.603
   86    QD   PRO  11           QD   PRO  11  22.888  -4.313  -6.919
   87    H    ASN  12           HN   ASN  12  20.261  -0.409  -7.398
   88    HA   ASN  12           HA   ASN  12  21.880   1.069  -9.431
   89   2HB   ASN  12          2HB   ASN  12  20.186  -0.912  -9.959
   90   3HB   ASN  12          3HB   ASN  12  18.981   0.373  -9.809
   91   1HD2  ASN  12          2HD2  ASN  12  21.391  -1.096 -11.812
   92   2HD2  ASN  12          1HD2  ASN  12  21.402   0.105 -13.097
   93    QB   ASN  12           QB   ASN  12  19.583  -0.269  -9.884
   94    QD2  ASN  12           QD2  ASN  12  21.396  -0.495 -12.455
   95    H    THR  13           HN   THR  13  20.029   2.826 -10.406
   96    HA   THR  13           HA   THR  13  20.265   4.869  -8.444
   97    HB   THR  13           HB   THR  13  20.416   5.240 -10.871
   98    HG1  THR  13           HG1  THR  13  19.333   7.189 -10.774
   99   1HG2  THR  13          3HG2  THR  13  18.548   3.788 -11.658
  100   2HG2  THR  13          2HG2  THR  13  17.375   4.891 -10.916
  101   3HG2  THR  13          1HG2  THR  13  18.385   5.446 -12.256
  102    QG2  THR  13           QG2  THR  13  18.103   4.708 -11.610
  103    NH1  ARG  14           NH1  ARG  14  12.432   7.042  -5.995
  104    NH2  ARG  14           NH2  ARG  14  13.824   8.255  -4.610
  105    H    ARG  14           HN   ARG  14  18.737   5.889  -7.155
  106    HA   ARG  14           HA   ARG  14  16.416   4.312  -6.422
  107   2HB   ARG  14          2HB   ARG  14  18.120   5.896  -5.040
  108   3HB   ARG  14          3HB   ARG  14  16.819   7.054  -5.219
  109   1HG   ARG  14          2HG   ARG  14  16.339   4.198  -4.242
  110   2HG   ARG  14          3HG   ARG  14  17.034   5.400  -3.185
  111   1HD   ARG  14          2HD   ARG  14  14.574   5.037  -2.931
  112   2HD   ARG  14          3HD   ARG  14  15.119   6.689  -3.042
  113    HE   ARG  14           HE   ARG  14  13.758   5.078  -5.196
  114   1HH1  ARG  14          1HH1  ARG  14  11.984   7.890  -6.277
  115   2HH1  ARG  14          2HH1  ARG  14  12.130   6.167  -6.374
  116   1HH2  ARG  14          2HH2  ARG  14  14.571   8.293  -3.946
  117   2HH2  ARG  14          1HH2  ARG  14  13.369   9.097  -4.899
  118    QB   ARG  14           QB   ARG  14  17.469   6.475  -5.129
  No match found for entry  QG ARG          14
  119    QD   ARG  14           QD   ARG  14  14.847   5.863  -2.987
  120    QH1  ARG  14           QH1  ARG  14  12.057   7.029  -6.325
  121    QH2  ARG  14           QH2  ARG  14  13.970   8.695  -4.422
  122    H    GLY  15           HN   GLY  15  15.665   4.478  -8.699
  123   1HA   GLY  15          1HA   GLY  15  13.178   5.528  -8.886
  124   2HA   GLY  15          2HA   GLY  15  14.149   6.925  -9.387
  125    QA   GLY  15           QA   GLY  15  13.664   6.227  -9.137
  126    H    ASN  16           HN   ASN  16  14.547   3.406  -9.990
  127    HA   ASN  16           HA   ASN  16  14.018   3.839 -12.899
  128   2HB   ASN  16          2HB   ASN  16  16.380   3.526 -12.625
  129   3HB   ASN  16          3HB   ASN  16  16.163   2.070 -11.650
  130   1HD2  ASN  16          2HD2  ASN  16  17.220   2.949 -14.565
  131   2HD2  ASN  16          1HD2  ASN  16  16.575   1.646 -15.555
  132    QB   ASN  16           QB   ASN  16  16.271   2.798 -12.137
  133    QD2  ASN  16           QD2  ASN  16  16.897   2.297 -15.060
  134    H    SER  17           HN   SER  17  14.645   0.792 -11.155
  135    HA   SER  17           HA   SER  17  12.126  -0.270 -11.995
  136   2HB   SER  17          2HB   SER  17  14.306  -1.374 -11.770
  137   3HB   SER  17          3HB   SER  17  14.195  -1.209  -9.999
  138    HG   SER  17           HG   SER  17  13.527  -3.249 -10.524
  139    QB   SER  17           QB   SER  17  14.250  -1.291 -10.884
  140    H    MET  18           HN   MET  18  11.844   2.127 -10.088
  141    HA   MET  18           HA   MET  18  11.096   0.953  -7.590
  142   2HB   MET  18          2HB   MET  18  12.173   3.324  -8.175
  143   3HB   MET  18          3HB   MET  18  10.483   3.830  -8.127
  144   1HG   MET  18          2HG   MET  18  10.701   2.239  -5.875
  145   2HG   MET  18          3HG   MET  18  12.327   2.942  -6.018
  146   1HE   MET  18          1HE   MET  18  12.158   4.029  -3.665
  147   2HE   MET  18          2HE   MET  18  10.778   5.006  -3.109
  148   3HE   MET  18          3HE   MET  18  10.560   3.274  -3.433
  149    QB   MET  18           QB   MET  18  11.328   3.577  -8.151
  150    QG   MET  18           QG   MET  18  11.514   2.591  -5.946
  151    QE   MET  18           QE   MET  18  11.165   4.103  -3.402
  152    H    SER  19           HN   SER  19   9.509  -0.476  -8.710
  153    HA   SER  19           HA   SER  19   6.793   0.794  -8.912
  154   2HB   SER  19          2HB   SER  19   6.355  -0.442 -10.991
  155   3HB   SER  19          3HB   SER  19   7.664   0.738 -11.184
  156    HG   SER  19           HG   SER  19   9.155  -0.985 -10.886
  157    QB   SER  19           QB   SER  19   7.010   0.148 -11.087
  158    H    GLY  20           HN   GLY  20   8.585  -1.633  -7.406
  159   1HA   GLY  20          1HA   GLY  20   6.518  -3.735  -7.471
  160   2HA   GLY  20          2HA   GLY  20   7.920  -3.620  -6.399
  161    QA   GLY  20           QA   GLY  20   7.219  -3.678  -6.935
  162    H    THR  21           HN   THR  21   4.708  -3.776  -6.105
  163    HA   THR  21           HA   THR  21   4.219  -1.447  -4.368
  164    HB   THR  21           HB   THR  21   2.611  -3.915  -4.997
  165    HG1  THR  21           HG1  THR  21   2.410  -1.215  -5.903
  166   1HG2  THR  21          1HG2  THR  21   1.656  -1.384  -3.626
  167   2HG2  THR  21          3HG2  THR  21   0.637  -2.705  -4.235
  168   3HG2  THR  21          2HG2  THR  21   1.761  -3.020  -2.907
  169    QG2  THR  21           QG2  THR  21   1.351  -2.370  -3.589
  170    H    ILE  22           HN   ILE  22   4.685  -1.486  -2.215
  171    HA   ILE  22           HA   ILE  22   5.964  -3.739  -0.955
  172    HB   ILE  22           HB   ILE  22   4.889  -1.120   0.082
  173   2HG1  ILE  22          2HG1  ILE  22   7.778  -1.985  -0.105
  174   3HG1  ILE  22          3HG1  ILE  22   6.961  -1.396  -1.550
  175   1HG2  ILE  22          3HG2  ILE  22   6.503  -3.274   1.529
  176   2HG2  ILE  22          1HG2  ILE  22   6.308  -1.618   2.127
  177   3HG2  ILE  22          2HG2  ILE  22   4.898  -2.668   1.983
  178   1HD1  ILE  22          2HD1  ILE  22   7.000   0.258   0.993
  179   2HD1  ILE  22          3HD1  ILE  22   8.237   0.371  -0.279
  180   3HD1  ILE  22          1HD1  ILE  22   6.554   0.728  -0.660
  181    QG1  ILE  22           QG1  ILE  22   7.370  -1.691  -0.827
  182    QG2  ILE  22           QG2  ILE  22   5.903  -2.520   1.880
  183    QD1  ILE  22           QD1  ILE  22   7.264   0.452   0.018
  184    CH2  TRP  23           CH2  TRP  23  -1.779  -5.335  -2.677
  185    H    TRP  23           HN   TRP  23   4.990  -5.518  -0.075
  186    HA   TRP  23           HA   TRP  23   2.182  -5.307   0.927
  187   2HB   TRP  23          2HB   TRP  23   3.629  -7.666  -0.327
  188   3HB   TRP  23          3HB   TRP  23   2.043  -7.718   0.442
  189    HD1  TRP  23           HD1  TRP  23   3.759  -6.691  -2.754
  190    HE1  TRP  23           HE1  TRP  23   2.072  -5.921  -4.502
  191    HE3  TRP  23           HE3  TRP  23  -0.407  -6.558   0.202
  192    HZ2  TRP  23           HZ2  TRP  23  -0.726  -5.098  -4.546
  193    HZ3  TRP  23           HZ3  TRP  23  -2.556  -5.726  -0.703
  194    HH2  TRP  23           HH2  TRP  23  -2.717  -4.956  -3.056
  195    QB   TRP  23           QB   TRP  23   2.836  -7.692   0.058
  196    H    VAL  24           HN   VAL  24   1.817  -6.362   2.907
  197    HA   VAL  24           HA   VAL  24   4.082  -6.030   4.679
  198    HB   VAL  24           HB   VAL  24   1.305  -7.144   5.282
  199   1HG1  VAL  24          1HG1  VAL  24   3.010  -7.620   7.021
  200   2HG1  VAL  24          2HG1  VAL  24   3.421  -5.899   7.096
  201   3HG1  VAL  24          3HG1  VAL  24   1.807  -6.455   7.586
  202   1HG2  VAL  24          2HG2  VAL  24   2.382  -4.294   5.457
  203   2HG2  VAL  24          3HG2  VAL  24   1.132  -4.860   4.329
  204   3HG2  VAL  24          1HG2  VAL  24   0.810  -4.846   6.065
  205    QG1  VAL  24           QG1  VAL  24   2.746  -6.658   7.234
  206    QG2  VAL  24           QG2  VAL  24   1.441  -4.667   5.284
  207    QQG  VAL  24           QQG  VAL  24   2.094  -5.662   6.259
  208    H    PHE  25           HN   PHE  25   1.971  -8.923   4.602
  209    HA   PHE  25           HA   PHE  25   4.333 -10.692   4.205
  210   2HB   PHE  25          2HB   PHE  25   2.249 -10.889   6.384
  211   3HB   PHE  25          3HB   PHE  25   3.571 -12.039   6.135
  212    HD1  PHE  25           HD1  PHE  25   2.632 -10.109   8.593
  213    HD2  PHE  25           HD2  PHE  25   5.908 -10.160   5.789
  214    HE1  PHE  25           HE1  PHE  25   3.952  -8.646  10.092
  215    HE2  PHE  25           HE2  PHE  25   7.210  -8.691   7.283
  216    HZ   PHE  25           HZ   PHE  25   6.226  -7.896   9.422
  217    QB   PHE  25           QB   PHE  25   2.910 -11.464   6.260
  218    QB   PHE  25           QB   PHE  25   2.910 -11.464   6.260
  219    H    GLY  26           HN   GLY  26   2.679 -10.200   2.123
  220   1HA   GLY  26          1HA   GLY  26   1.672 -12.729   1.407
  221   2HA   GLY  26          2HA   GLY  26   0.316 -11.827   2.100
  222    QA   GLY  26           QA   GLY  26   0.994 -12.278   1.753
  223    H    CYS  27           HN   CYS  27   2.388 -12.195  -0.689
  224    HA   CYS  27           HA   CYS  27   1.520  -9.805  -2.040
  225   2HB   CYS  27          2HB   CYS  27   3.643 -10.653  -2.485
  226   3HB   CYS  27          3HB   CYS  27   3.059 -12.277  -2.888
  227    QB   CYS  27           QB   CYS  27   3.351 -11.465  -2.687
  228    HA   PRO  28           HA   PRO  28  -2.297 -11.768  -3.326
  229   2HB   PRO  28          2HB   PRO  28  -2.938  -9.972  -5.476
  230   3HB   PRO  28          3HB   PRO  28  -3.509  -9.924  -3.792
  231   1HG   PRO  28          2HG   PRO  28  -1.681  -8.083  -5.032
  232   2HG   PRO  28          3HG   PRO  28  -2.198  -8.149  -3.333
  233   1HD   PRO  28          2HD   PRO  28   0.318  -9.082  -4.560
  234   2HD   PRO  28          3HD   PRO  28  -0.065  -8.697  -2.860
  235    QB   PRO  28           QB   PRO  28  -3.224  -9.948  -4.634
  236    QG   PRO  28           QG   PRO  28  -1.939  -8.116  -4.182
  237    QD   PRO  28           QD   PRO  28   0.126  -8.889  -3.710
  238    H    SER  29           HN   SER  29  -3.280 -13.002  -5.064
  239    HA   SER  29           HA   SER  29  -1.444 -14.388  -6.719
  240   2HB   SER  29          2HB   SER  29  -3.595 -15.318  -5.966
  241   3HB   SER  29          3HB   SER  29  -4.476 -14.170  -6.999
  242    HG   SER  29           HG   SER  29  -3.681 -15.219  -8.784
  243    QB   SER  29           QB   SER  29  -4.036 -14.744  -6.483
  244    H    GLY  30           HN   GLY  30  -0.814 -14.137  -8.830
  245   1HA   GLY  30          1HA   GLY  30  -0.966 -13.315 -11.049
  246   2HA   GLY  30          2HA   GLY  30  -1.955 -11.954 -10.515
  247    QA   GLY  30           QA   GLY  30  -1.461 -12.635 -10.782
  248    CH2  TRP  31           CH2  TRP  31   0.612  -4.390  -7.224
  249    H    TRP  31           HN   TRP  31   0.111 -11.705  -8.136
  250    HA   TRP  31           HA   TRP  31   1.860  -9.793  -9.546
  251   2HB   TRP  31          2HB   TRP  31   1.170 -10.426  -6.716
  252   3HB   TRP  31          3HB   TRP  31   2.444  -9.288  -7.145
  253    HD1  TRP  31           HD1  TRP  31  -1.366  -9.690  -7.913
  254    HE1  TRP  31           HE1  TRP  31  -2.426  -7.373  -7.819
  255    HE3  TRP  31           HE3  TRP  31   2.806  -6.992  -6.908
  256    HZ2  TRP  31           HZ2  TRP  31  -1.514  -4.592  -7.295
  257    HZ3  TRP  31           HZ3  TRP  31   2.764  -4.496  -7.200
  258    HH2  TRP  31           HH2  TRP  31   0.570  -3.312  -7.236
  259    QB   TRP  31           QB   TRP  31   1.807  -9.857  -6.931
  260    H    ASN  32           HN   ASN  32   4.187  -9.743  -8.616
  261    HA   ASN  32           HA   ASN  32   5.432 -12.452  -8.667
  262   2HB   ASN  32          2HB   ASN  32   5.311 -11.255 -10.915
  263   3HB   ASN  32          3HB   ASN  32   6.372 -10.020 -10.230
  264   1HD2  ASN  32          1HD2  ASN  32   6.090 -13.547 -10.887
  265   2HD2  ASN  32          2HD2  ASN  32   7.817 -13.809 -11.064
  266    QB   ASN  32           QB   ASN  32   5.841 -10.637 -10.573
  267    QD2  ASN  32           QD2  ASN  32   6.953 -13.678 -10.976
  268    H    ASN  33           HN   ASN  33   6.856 -12.706  -7.061
  269    HA   ASN  33           HA   ASN  33   7.004 -10.975  -4.848
  270   2HB   ASN  33          2HB   ASN  33   8.432 -13.496  -5.715
  271   3HB   ASN  33          3HB   ASN  33   8.948 -12.646  -4.264
  272   1HD2  ASN  33          1HD2  ASN  33   5.152 -14.250  -4.097
  273   2HD2  ASN  33          2HD2  ASN  33   5.621 -13.507  -5.606
  274    QB   ASN  33           QB   ASN  33   8.690 -13.071  -4.990
  275    QD2  ASN  33           QD2  ASN  33   5.386 -13.878  -4.852
  276    H    CYS  34           HN   CYS  34   8.410  -9.300  -4.160
  277    HA   CYS  34           HA   CYS  34  11.085  -9.171  -5.486
  278   2HB   CYS  34          2HB   CYS  34   8.917  -7.182  -5.803
  279   3HB   CYS  34          3HB   CYS  34  10.445  -6.498  -5.231
  280    QB   CYS  34           QB   CYS  34   9.681  -6.840  -5.517
  281    H    GLU  35           HN   GLU  35  12.499  -9.509  -3.964
  282    HA   GLU  35           HA   GLU  35  12.132  -8.334  -1.292
  283   2HB   GLU  35          2HB   GLU  35  14.256  -9.366  -0.779
  284   3HB   GLU  35          3HB   GLU  35  13.023 -10.498  -1.345
  285   1HG   GLU  35          2HG   GLU  35  14.466 -11.328  -2.831
  286   2HG   GLU  35          3HG   GLU  35  14.508  -9.757  -3.647
  287    QB   GLU  35           QB   GLU  35  13.639  -9.932  -1.062
  288    QG   GLU  35           QG   GLU  35  14.487 -10.542  -3.239
  289    H    GLY  36           HN   GLY  36  11.999  -6.154  -1.735
  290   1HA   GLY  36          1HA   GLY  36  14.244  -4.670  -2.935
  291   2HA   GLY  36          2HA   GLY  36  12.876  -4.005  -2.029
  292    QA   GLY  36           QA   GLY  36  13.560  -4.338  -2.482
  293    NH1  ARG  37           NH1  ARG  37  19.191  -9.234  -1.843
  294    NH2  ARG  37           NH2  ARG  37  19.730  -7.815  -0.116
  295    H    ARG  37           HN   ARG  37  15.210  -2.913  -1.326
  296    HA   ARG  37           HA   ARG  37  15.829  -4.094   1.345
  297   2HB   ARG  37          2HB   ARG  37  17.867  -3.282  -0.787
  298   3HB   ARG  37          3HB   ARG  37  18.220  -3.422   0.931
  299   1HG   ARG  37          2HG   ARG  37  18.918  -5.370   0.356
  300   2HG   ARG  37          3HG   ARG  37  17.250  -5.862   0.720
  301   1HD   ARG  37          2HD   ARG  37  16.825  -5.611  -1.829
  302   2HD   ARG  37          3HD   ARG  37  18.563  -5.440  -2.014
  303    HE   ARG  37           HE   ARG  37  17.226  -7.825  -2.121
  304   1HH1  ARG  37          2HH1  ARG  37  18.606  -9.482  -2.615
  305   2HH1  ARG  37          1HH1  ARG  37  19.968  -9.814  -1.597
  306   1HH2  ARG  37          1HH2  ARG  37  20.503  -8.405   0.118
  307   2HH2  ARG  37          2HH2  ARG  37  19.552  -6.989   0.418
  308    QB   ARG  37           QB   ARG  37  18.044  -3.352   0.072
  309    QG   ARG  37           QG   ARG  37  18.084  -5.616   0.538
  310    QD   ARG  37           QD   ARG  37  17.694  -5.525  -1.921
  311    QH1  ARG  37           QH1  ARG  37  19.287  -9.648  -2.106
  312    QH2  ARG  37           QH2  ARG  37  20.027  -7.697   0.268
  313    H    ALA  38           HN   ALA  38  14.036  -2.296   1.319
  314    HA   ALA  38           HA   ALA  38  14.956  -0.432   3.161
  315   1HB   ALA  38          3HB   ALA  38  14.630   0.846   0.406
  316   2HB   ALA  38          1HB   ALA  38  14.658   1.750   1.933
  317   3HB   ALA  38          2HB   ALA  38  16.088   0.881   1.423
  318    QB   ALA  38           QB   ALA  38  15.125   1.159   1.254
  319    H    ILE  39           HN   ILE  39  12.822  -2.141   3.241
  320    HA   ILE  39           HA   ILE  39  10.469  -0.399   3.174
  321    HB   ILE  39           HB   ILE  39   9.141  -1.866   1.815
  322   2HG1  ILE  39          2HG1  ILE  39  11.574  -3.675   1.792
  323   3HG1  ILE  39          3HG1  ILE  39   9.894  -4.037   2.218
  324   1HG2  ILE  39          2HG2  ILE  39  10.466  -0.087   0.671
  325   2HG2  ILE  39          3HG2  ILE  39  11.676  -1.315   0.229
  326   3HG2  ILE  39          1HG2  ILE  39  10.018  -1.425  -0.374
  327   1HD1  ILE  39          1HD1  ILE  39   9.272  -3.716  -0.196
  328   2HD1  ILE  39          2HD1  ILE  39  11.001  -3.537  -0.572
  329   3HD1  ILE  39          3HD1  ILE  39  10.396  -5.057   0.101
  330    QG1  ILE  39           QG1  ILE  39  10.734  -3.856   2.005
  331    QG2  ILE  39           QG2  ILE  39  10.720  -0.942   0.175
  332    QD1  ILE  39           QD1  ILE  39  10.223  -4.103  -0.222
  333    H    ILE  40           HN   ILE  40   8.569  -1.609   4.099
  334    HA   ILE  40           HA   ILE  40   9.430  -3.427   6.306
  335    HB   ILE  40           HB   ILE  40   7.029  -1.583   5.997
  336   2HG1  ILE  40          2HG1  ILE  40   9.194  -0.417   6.491
  337   3HG1  ILE  40          3HG1  ILE  40   7.935  -0.203   7.699
  338   1HG2  ILE  40          1HG2  ILE  40   7.750  -3.479   8.266
  339   2HG2  ILE  40          2HG2  ILE  40   6.538  -2.185   8.378
  340   3HG2  ILE  40          3HG2  ILE  40   6.302  -3.516   7.242
  341   1HD1  ILE  40          2HD1  ILE  40  10.150  -2.270   8.047
  342   2HD1  ILE  40          3HD1  ILE  40  10.275  -0.591   8.589
  343   3HD1  ILE  40          1HD1  ILE  40   9.019  -1.639   9.265
  344    QG1  ILE  40           QG1  ILE  40   8.564  -0.310   7.095
  345    QG2  ILE  40           QG2  ILE  40   6.863  -3.060   7.962
  346    QD1  ILE  40           QD1  ILE  40   9.815  -1.500   8.634
  347    H    GLY  41           HN   GLY  41   9.171  -5.477   5.590
  348   1HA   GLY  41          1HA   GLY  41   7.665  -7.304   5.307
  349   2HA   GLY  41          2HA   GLY  41   6.529  -6.256   4.445
  350    QA   GLY  41           QA   GLY  41   7.097  -6.780   4.876
  351    OH   TYR  42           OH   TYR  42   7.757 -12.436   5.912
  352    H    TYR  42           HN   TYR  42   6.460  -7.447   2.515
  353    HA   TYR  42           HA   TYR  42   9.059  -7.965   1.088
  354   2HB   TYR  42          2HB   TYR  42   6.565  -9.590   0.674
  355   3HB   TYR  42          3HB   TYR  42   8.229  -9.987   0.260
  356    HD1  TYR  42           HD1  TYR  42   5.882 -11.458   1.902
  357    HD2  TYR  42           HD2  TYR  42   9.607  -9.538   2.931
  358    HE1  TYR  42           HE1  TYR  42   5.975 -12.751   4.016
  359    HE2  TYR  42           HE2  TYR  42   9.640 -10.762   5.078
  360    HH   TYR  42           HH   TYR  42   8.426 -12.117   6.519
  361    QB   TYR  42           QB   TYR  42   7.397  -9.788   0.467
  362    QB   TYR  42           QB   TYR  42   7.397  -9.788   0.467
  363    H    CYS  43           HN   CYS  43   9.102  -7.205  -1.102
  364    HA   CYS  43           HA   CYS  43   6.772  -5.521  -1.812
  365   2HB   CYS  43          2HB   CYS  43   9.455  -5.082  -2.105
  366   3HB   CYS  43          3HB   CYS  43   9.043  -5.757  -3.675
  367    QB   CYS  43           QB   CYS  43   9.249  -5.419  -2.890
  368    H    CYS  44           HN   CYS  44   5.856  -5.783  -4.042
  369    HA   CYS  44           HA   CYS  44   6.494  -8.262  -5.455
  370   2HB   CYS  44          2HB   CYS  44   4.593  -8.587  -3.564
  371   3HB   CYS  44          3HB   CYS  44   3.584  -7.953  -4.870
  372    QB   CYS  44           QB   CYS  44   4.089  -8.270  -4.217
  373    H    LYS  45           HN   LYS  45   6.136  -7.905  -7.675
  374    HA   LYS  45           HA   LYS  45   4.856  -5.295  -8.404
  375   2HB   LYS  45          2HB   LYS  45   7.435  -6.022  -8.996
  376   3HB   LYS  45          3HB   LYS  45   6.604  -6.677 -10.401
  377   1HG   LYS  45          2HG   LYS  45   5.529  -4.059 -10.032
  378   2HG   LYS  45          3HG   LYS  45   7.229  -3.886  -9.638
  379   1HD   LYS  45          2HD   LYS  45   6.142  -4.994 -12.272
  380   2HD   LYS  45          3HD   LYS  45   6.584  -3.329 -11.941
  381   2HE   LYS  45          2HE   LYS  45   8.427  -4.136 -13.058
  382   3HE   LYS  45          3HE   LYS  45   8.948  -4.082 -11.373
  383   1HZ   LYS  45          3HZ   LYS  45   7.838  -6.543 -12.468
  384   2HZ   LYS  45          1HZ   LYS  45   9.376  -6.135 -12.838
  385   3HZ   LYS  45          2HZ   LYS  45   8.941  -6.350 -11.279
  386    QB   LYS  45           QB   LYS  45   7.019  -6.350  -9.698
  387    QG   LYS  45           QG   LYS  45   6.379  -3.973  -9.835
  388    QD   LYS  45           QD   LYS  45   6.363  -4.161 -12.106
  389    QE   LYS  45           QE   LYS  45   8.688  -4.109 -12.215
  390    QZ   LYS  45           QZ   LYS  45   8.618  -6.384 -12.655
  391    H    GLN  46           HN   GLN  46   4.224  -5.695 -11.023
  392    HA   GLN  46           HA   GLN  46   3.074  -8.366 -11.392
  393   2HB   GLN  46          2HB   GLN  46   0.839  -7.649 -11.681
  394   3HB   GLN  46          3HB   GLN  46   1.369  -7.049 -10.117
  395   1HG   GLN  46          2HG   GLN  46   0.964  -5.459 -12.667
  396   2HG   GLN  46          3HG   GLN  46   0.020  -5.406 -11.183
  397   1HE2  GLN  46          1HE2  GLN  46   0.557  -3.830  -9.669
  398   2HE2  GLN  46          2HE2  GLN  46   2.026  -2.878  -9.743
  399    QB   GLN  46           QB   GLN  46   1.104  -7.349 -10.899
  400    QG   GLN  46           QG   GLN  46   0.492  -5.432 -11.925
  401    QE2  GLN  46           QE2  GLN  46   1.291  -3.354  -9.706
  
  Start of MODEL            2
 Raw file had 402 H/Q atoms
    1   1H    GLY   1          2HN   GLY   1  -0.442   0.509  -0.765
    2   2H    GLY   1          3HN   GLY   1  -0.350  -1.017  -0.130
    3   3H    GLY   1          1HN   GLY   1  -0.480   0.292   0.876
    4   1HA   GLY   1          1HA   GLY   1   1.666   0.975   0.575
    5   2HA   GLY   1          2HA   GLY   1   1.784  -0.803   0.569
    6    QA   GLY   1           QA   GLY   1   1.725   0.086   0.572
    7    H    ALA   2           HN   ALA   2   3.848   0.200  -0.761
    8    HA   ALA   2           HA   ALA   2   3.259  -0.176  -3.614
    9   1HB   ALA   2          2HB   ALA   2   4.527   2.326  -2.407
   10   2HB   ALA   2          3HB   ALA   2   4.709   1.866  -4.111
   11   3HB   ALA   2          1HB   ALA   2   3.100   2.230  -3.463
   12    QB   ALA   2           QB   ALA   2   4.112   2.141  -3.327
   13    H    ALA   3           HN   ALA   3   5.475  -0.227  -4.764
   14    HA   ALA   3           HA   ALA   3   6.918  -2.354  -3.716
   15   1HB   ALA   3          1HB   ALA   3   6.875  -1.801  -6.107
   16   2HB   ALA   3          2HB   ALA   3   7.803  -0.314  -5.797
   17   3HB   ALA   3          3HB   ALA   3   8.547  -1.903  -5.525
   18    QB   ALA   3           QB   ALA   3   7.742  -1.339  -5.810
   19    H    CYS   4           HN   CYS   4   9.092  -2.488  -2.724
   20    HA   CYS   4           HA   CYS   4  10.307   0.100  -1.952
   21   2HB   CYS   4          2HB   CYS   4  10.227  -0.232   0.363
   22   3HB   CYS   4          3HB   CYS   4   8.708  -1.024  -0.016
   23    QB   CYS   4           QB   CYS   4   9.467  -0.628   0.174
   24    H    LEU   5           HN   LEU   5  12.414  -0.025  -1.110
   25    HA   LEU   5           HA   LEU   5  13.960  -2.026  -2.522
   26   2HB   LEU   5          2HB   LEU   5  15.491  -0.227  -0.810
   27   3HB   LEU   5          3HB   LEU   5  15.657  -0.713  -2.498
   28    HG   LEU   5           HG   LEU   5  13.576   0.949  -2.813
   29   1HD1  LEU   5          1HD1  LEU   5  13.566   1.321  -0.240
   30   2HD1  LEU   5          2HD1  LEU   5  15.082   2.190  -0.465
   31   3HD1  LEU   5          3HD1  LEU   5  13.600   2.790  -1.239
   32   1HD2  LEU   5          2HD2  LEU   5  16.130   1.063  -3.629
   33   2HD2  LEU   5          3HD2  LEU   5  14.994   2.399  -3.808
   34   3HD2  LEU   5          1HD2  LEU   5  16.163   2.398  -2.474
   35    QB   LEU   5           QB   LEU   5  15.574  -0.470  -1.654
   36    QD1  LEU   5           QD1  LEU   5  14.083   2.100  -0.648
   37    QD2  LEU   5           QD2  LEU   5  15.762   1.953  -3.304
   38    QQD  LEU   5           QQD  LEU   5  14.922   2.027  -1.976
   39    H    CYS   6           HN   CYS   6  14.508  -3.863  -1.657
   40    HA   CYS   6           HA   CYS   6  14.014  -4.412   1.168
   41   2HB   CYS   6          2HB   CYS   6  14.782  -5.909  -1.329
   42   3HB   CYS   6          3HB   CYS   6  15.397  -6.622   0.138
   43    QB   CYS   6           QB   CYS   6  15.090  -6.266  -0.595
   44    H    LYS   7           HN   LYS   7  15.694  -5.904   2.305
   45    HA   LYS   7           HA   LYS   7  17.815  -4.190   3.115
   46   2HB   LYS   7          2HB   LYS   7  16.990  -5.863   4.596
   47   3HB   LYS   7          3HB   LYS   7  17.323  -7.176   3.449
   48   1HG   LYS   7          2HG   LYS   7  19.711  -6.870   3.644
   49   2HG   LYS   7          3HG   LYS   7  19.520  -5.393   4.582
   50   1HD   LYS   7          2HD   LYS   7  18.693  -8.224   5.423
   51   2HD   LYS   7          3HD   LYS   7  20.189  -7.420   5.895
   52   2HE   LYS   7          2HE   LYS   7  17.349  -6.716   6.762
   53   3HE   LYS   7          3HE   LYS   7  18.717  -7.249   7.747
   54   1HZ   LYS   7          2HZ   LYS   7  19.780  -5.128   6.963
   55   2HZ   LYS   7          3HZ   LYS   7  18.282  -4.656   6.513
   56   3HZ   LYS   7          1HZ   LYS   7  18.590  -5.016   8.076
   57    QB   LYS   7           QB   LYS   7  17.156  -6.519   4.023
   58    QG   LYS   7           QG   LYS   7  19.615  -6.131   4.113
   59    QD   LYS   7           QD   LYS   7  19.441  -7.822   5.659
   60    QE   LYS   7           QE   LYS   7  18.033  -6.983   7.254
   61    QZ   LYS   7           QZ   LYS   7  18.449  -4.792   7.302
   62    H    SER   8           HN   SER   8  17.600  -6.515   0.501
   63    HA   SER   8           HA   SER   8  20.395  -6.727  -0.063
   64   2HB   SER   8          2HB   SER   8  18.575  -8.265  -0.876
   65   3HB   SER   8          3HB   SER   8  18.075  -6.996  -2.017
   66    HG   SER   8           HG   SER   8  20.308  -7.090  -2.782
   67    QB   SER   8           QB   SER   8  18.325  -7.630  -1.446
   68    H    ASP   9           HN   ASP   9  18.249  -4.023  -0.399
   69    HA   ASP   9           HA   ASP   9  19.458  -2.697  -2.631
   70   2HB   ASP   9          2HB   ASP   9  17.198  -2.142  -1.653
   71   3HB   ASP   9          3HB   ASP   9  18.013  -1.616  -0.167
   72    QB   ASP   9           QB   ASP   9  17.605  -1.879  -0.910
   73    H    GLY  10           HN   GLY  10  20.520  -0.591  -2.316
   74   1HA   GLY  10          1HA   GLY  10  22.177  -0.242   0.073
   75   2HA   GLY  10          2HA   GLY  10  23.115  -0.531  -1.393
   76    QA   GLY  10           QA   GLY  10  22.646  -0.387  -0.660
   77    HA   PRO  11           HA   PRO  11  22.541   3.768  -2.244
   78   2HB   PRO  11          2HB   PRO  11  22.611   3.967  -4.979
   79   3HB   PRO  11          3HB   PRO  11  24.019   3.531  -3.975
   80   1HG   PRO  11          2HG   PRO  11  22.269   1.722  -5.616
   81   2HG   PRO  11          3HG   PRO  11  24.027   1.620  -5.318
   82   1HD   PRO  11          2HD   PRO  11  22.023   0.148  -3.989
   83   2HD   PRO  11          3HD   PRO  11  23.692   0.389  -3.394
   84    QB   PRO  11           QB   PRO  11  23.315   3.749  -4.477
   85    QG   PRO  11           QG   PRO  11  23.148   1.671  -5.467
   86    QD   PRO  11           QD   PRO  11  22.858   0.269  -3.691
   87    H    ASN  12           HN   ASN  12  20.691   4.877  -1.855
   88    HA   ASN  12           HA   ASN  12  18.107   4.014  -2.553
   89   2HB   ASN  12          2HB   ASN  12  19.303   6.295  -1.195
   90   3HB   ASN  12          3HB   ASN  12  18.094   6.909  -2.312
   91   1HD2  ASN  12          2HD2  ASN  12  16.593   6.144   1.064
   92   2HD2  ASN  12          1HD2  ASN  12  17.978   7.083   0.539
   93    QB   ASN  12           QB   ASN  12  18.698   6.602  -1.753
   94    QD2  ASN  12           QD2  ASN  12  17.285   6.614   0.802
   95    H    THR  13           HN   THR  13  17.609   3.604  -4.681
   96    HA   THR  13           HA   THR  13  17.337   5.913  -6.453
   97    HB   THR  13           HB   THR  13  19.574   5.291  -7.030
   98    HG1  THR  13           HG1  THR  13  17.880   4.107  -8.969
   99   1HG2  THR  13          1HG2  THR  13  18.713   2.512  -6.571
  100   2HG2  THR  13          3HG2  THR  13  19.572   2.718  -8.111
  101   3HG2  THR  13          2HG2  THR  13  20.323   3.222  -6.597
  102    QG2  THR  13           QG2  THR  13  19.536   2.817  -7.093
  103    NH1  ARG  14           NH1  ARG  14   8.570   4.901  -7.932
  104    NH2  ARG  14           NH2  ARG  14   8.376   6.892  -9.103
  105    H    ARG  14           HN   ARG  14  15.553   5.638  -7.793
  106    HA   ARG  14           HA   ARG  14  13.834   3.454  -7.108
  107   2HB   ARG  14          2HB   ARG  14  13.358   5.964  -7.858
  108   3HB   ARG  14          3HB   ARG  14  13.348   5.298  -9.485
  109   1HG   ARG  14          2HG   ARG  14  11.764   3.747  -7.473
  110   2HG   ARG  14          3HG   ARG  14  11.291   5.424  -7.598
  111   1HD   ARG  14          2HD   ARG  14  11.600   4.093 -10.251
  112   2HD   ARG  14          3HD   ARG  14  10.404   3.312  -9.244
  113    HE   ARG  14           HE   ARG  14  10.177   5.860 -10.561
  114   1HH1  ARG  14          2HH1  ARG  14   9.028   4.024  -7.785
  115   2HH1  ARG  14          1HH1  ARG  14   7.816   5.178  -7.336
  116   1HH2  ARG  14          2HH2  ARG  14   8.689   7.502  -9.831
  117   2HH2  ARG  14          1HH2  ARG  14   7.622   7.169  -8.508
  118    QB   ARG  14           QB   ARG  14  13.353   5.631  -8.672
  119    QG   ARG  14           QG   ARG  14  11.528   4.585  -7.536
  120    QD   ARG  14           QD   ARG  14  11.002   3.703  -9.748
  121    QH1  ARG  14           QH1  ARG  14   8.422   4.601  -7.560
  122    QH2  ARG  14           QH2  ARG  14   8.156   7.336  -9.169
  123    H    GLY  15           HN   GLY  15  13.206   1.688  -8.456
  124   1HA   GLY  15          1HA   GLY  15  13.510   0.039 -10.033
  125   2HA   GLY  15          2HA   GLY  15  14.191   1.267 -11.110
  126    QA   GLY  15           QA   GLY  15  13.851   0.653 -10.571
  127    H    ASN  16           HN   ASN  16  15.259  -0.055  -7.938
  128    HA   ASN  16           HA   ASN  16  17.636  -1.279  -9.274
  129   2HB   ASN  16          2HB   ASN  16  18.487   0.687  -8.214
  130   3HB   ASN  16          3HB   ASN  16  17.603   0.367  -6.722
  131   1HD2  ASN  16          2HD2  ASN  16  19.582  -2.019  -8.688
  132   2HD2  ASN  16          1HD2  ASN  16  20.665  -2.325  -7.344
  133    QB   ASN  16           QB   ASN  16  18.045   0.527  -7.468
  134    QD2  ASN  16           QD2  ASN  16  20.124  -2.172  -8.016
  135    H    SER  17           HN   SER  17  16.901  -1.344  -5.818
  136    HA   SER  17           HA   SER  17  16.439  -4.287  -6.028
  137   2HB   SER  17          2HB   SER  17  17.713  -2.396  -4.063
  138   3HB   SER  17          3HB   SER  17  16.954  -3.860  -3.423
  139    HG   SER  17           HG   SER  17  19.099  -3.642  -5.213
  140    QB   SER  17           QB   SER  17  17.333  -3.128  -3.743
  141    H    MET  18           HN   MET  18  14.348  -2.234  -6.609
  142    HA   MET  18           HA   MET  18  12.684  -2.105  -4.304
  143   2HB   MET  18          2HB   MET  18  13.029  -0.485  -6.423
  144   3HB   MET  18          3HB   MET  18  11.513  -1.277  -6.903
  145   1HG   MET  18          2HG   MET  18  10.609  -0.617  -4.659
  146   2HG   MET  18          3HG   MET  18  12.157   0.197  -4.362
  147   1HE   MET  18          1HE   MET  18  10.176   2.109  -3.745
  148   2HE   MET  18          2HE   MET  18  11.813   2.673  -4.174
  149   3HE   MET  18          3HE   MET  18  10.388   3.480  -4.861
  150    QB   MET  18           QB   MET  18  12.271  -0.881  -6.663
  151    QG   MET  18           QG   MET  18  11.383  -0.210  -4.510
  152    QE   MET  18           QE   MET  18  10.792   2.754  -4.260
  153    H    SER  19           HN   SER  19  12.958  -4.614  -4.349
  154    HA   SER  19           HA   SER  19  10.754  -5.951  -5.878
  155   2HB   SER  19          2HB   SER  19  13.200  -6.653  -6.210
  156   3HB   SER  19          3HB   SER  19  13.142  -7.281  -4.552
  157    HG   SER  19           HG   SER  19  11.379  -8.021  -6.664
  158    QB   SER  19           QB   SER  19  13.171  -6.967  -5.381
  159    H    GLY  20           HN   GLY  20  10.945  -4.436  -3.055
  160   1HA   GLY  20          1HA   GLY  20   9.581  -6.548  -1.452
  161   2HA   GLY  20          2HA   GLY  20  10.258  -5.017  -0.883
  162    QA   GLY  20           QA   GLY  20   9.920  -5.783  -1.168
  163    H    THR  21           HN   THR  21   7.758  -5.424  -0.115
  164    HA   THR  21           HA   THR  21   6.415  -3.174  -1.485
  165    HB   THR  21           HB   THR  21   5.108  -5.830  -0.803
  166    HG1  THR  21           HG1  THR  21   5.726  -4.345  -3.130
  167   1HG2  THR  21          2HG2  THR  21   3.775  -3.243  -1.631
  168   2HG2  THR  21          1HG2  THR  21   3.020  -4.851  -1.629
  169   3HG2  THR  21          3HG2  THR  21   3.550  -4.126  -0.096
  170    QG2  THR  21           QG2  THR  21   3.448  -4.073  -1.119
  171    H    ILE  22           HN   ILE  22   5.816  -1.688  -0.043
  172    HA   ILE  22           HA   ILE  22   6.440  -2.072   2.748
  173    HB   ILE  22           HB   ILE  22   5.699   0.147   0.961
  174   2HG1  ILE  22          2HG1  ILE  22   7.933  -0.444   2.044
  175   3HG1  ILE  22          3HG1  ILE  22   7.429   1.246   2.101
  176   1HG2  ILE  22          3HG2  ILE  22   4.703   0.317   3.831
  177   2HG2  ILE  22          1HG2  ILE  22   4.989   1.696   2.751
  178   3HG2  ILE  22          2HG2  ILE  22   3.757   0.500   2.341
  179   1HD1  ILE  22          3HD1  ILE  22   6.849  -0.637   4.434
  180   2HD1  ILE  22          1HD1  ILE  22   8.394   0.186   4.258
  181   3HD1  ILE  22          2HD1  ILE  22   6.915   1.139   4.418
  182    QG1  ILE  22           QG1  ILE  22   7.681   0.401   2.072
  183    QG2  ILE  22           QG2  ILE  22   4.483   0.838   2.974
  184    QD1  ILE  22           QD1  ILE  22   7.386   0.229   4.370
  185    CH2  TRP  23           CH2  TRP  23   0.701  -6.198  -0.057
  186    H    TRP  23           HN   TRP  23   5.123  -2.730   4.437
  187    HA   TRP  23           HA   TRP  23   2.186  -2.805   3.951
  188   2HB   TRP  23          2HB   TRP  23   3.907  -4.908   5.285
  189   3HB   TRP  23          3HB   TRP  23   2.142  -4.936   5.164
  190    HD1  TRP  23           HD1  TRP  23   5.243  -5.966   3.350
  191    HE1  TRP  23           HE1  TRP  23   4.734  -7.014   1.118
  192    HE3  TRP  23           HE3  TRP  23   0.277  -4.740   2.996
  193    HZ2  TRP  23           HZ2  TRP  23   2.503  -7.200  -0.706
  194    HZ3  TRP  23           HZ3  TRP  23  -0.941  -5.171   0.890
  195    HH2  TRP  23           HH2  TRP  23   0.160  -6.390  -0.973
  196    QB   TRP  23           QB   TRP  23   3.024  -4.922   5.225
  197    H    VAL  24           HN   VAL  24   1.015  -2.807   6.053
  198    HA   VAL  24           HA   VAL  24   2.350  -0.848   7.863
  199    HB   VAL  24           HB   VAL  24  -0.578  -1.545   7.534
  200   1HG1  VAL  24          2HG1  VAL  24   0.890   0.359   9.355
  201   2HG1  VAL  24          3HG1  VAL  24  -0.752   0.738   8.791
  202   3HG1  VAL  24          1HG1  VAL  24  -0.456  -0.750   9.686
  203   1HG2  VAL  24          3HG2  VAL  24   1.019  -0.064   5.754
  204   2HG2  VAL  24          1HG2  VAL  24  -0.732   0.070   5.947
  205   3HG2  VAL  24          2HG2  VAL  24   0.353   1.174   6.810
  206    QG1  VAL  24           QG1  VAL  24  -0.106   0.116   9.277
  207    QG2  VAL  24           QG2  VAL  24   0.213   0.393   6.170
  208    QQG  VAL  24           QQG  VAL  24   0.054   0.255   7.724
  209    H    PHE  25           HN   PHE  25  -0.155  -3.367   8.462
  210    HA   PHE  25           HA   PHE  25   1.653  -4.729  10.400
  211   2HB   PHE  25          2HB   PHE  25  -1.209  -3.828  10.859
  212   3HB   PHE  25          3HB   PHE  25  -0.262  -4.782  12.006
  213    HD1  PHE  25           HD1  PHE  25   2.334  -3.452  12.119
  214    HD2  PHE  25           HD2  PHE  25  -1.604  -1.708  11.847
  215    HE1  PHE  25           HE1  PHE  25   3.228  -1.313  12.934
  216    HE2  PHE  25           HE2  PHE  25  -0.709   0.422  12.735
  217    HZ   PHE  25           HZ   PHE  25   1.712   0.630  13.279
  218    QB   PHE  25           QB   PHE  25  -0.735  -4.305  11.432
  219    QB   PHE  25           QB   PHE  25  -0.735  -4.305  11.432
  220    H    GLY  26           HN   GLY  26   0.697  -5.399   7.630
  221   1HA   GLY  26          1HA   GLY  26  -0.451  -8.085   8.261
  222   2HA   GLY  26          2HA   GLY  26  -1.399  -6.892   7.356
  223    QA   GLY  26           QA   GLY  26  -0.925  -7.489   7.808
  224    H    CYS  27           HN   CYS  27   1.222  -9.195   7.155
  225    HA   CYS  27           HA   CYS  27   1.914  -8.235   4.460
  226   2HB   CYS  27          2HB   CYS  27   3.678  -8.913   6.317
  227   3HB   CYS  27          3HB   CYS  27   3.487 -10.516   5.564
  228    QB   CYS  27           QB   CYS  27   3.582  -9.715   5.940
  229    HA   PRO  28           HA   PRO  28  -0.783 -11.496   2.969
  230   2HB   PRO  28          2HB   PRO  28   0.285 -11.571   0.303
  231   3HB   PRO  28          3HB   PRO  28  -1.158 -10.713   0.892
  232   1HG   PRO  28          2HG   PRO  28   1.455  -9.579   0.191
  233   2HG   PRO  28          3HG   PRO  28  -0.077  -8.746   0.541
  234   1HD   PRO  28          2HD   PRO  28   2.233  -8.975   2.205
  235   2HD   PRO  28          3HD   PRO  28   0.653  -8.237   2.616
  236    QB   PRO  28           QB   PRO  28  -0.437 -11.142   0.598
  237    QG   PRO  28           QG   PRO  28   0.689  -9.163   0.366
  238    QD   PRO  28           QD   PRO  28   1.443  -8.606   2.411
  239    H    SER  29           HN   SER  29  -0.697 -13.731   2.346
  240    HA   SER  29           HA   SER  29   1.440 -15.191   3.402
  241   2HB   SER  29          2HB   SER  29  -1.035 -15.811   1.980
  242   3HB   SER  29          3HB   SER  29   0.269 -16.819   1.356
  243    HG   SER  29           HG   SER  29  -0.392 -16.491   4.105
  244    QB   SER  29           QB   SER  29  -0.383 -16.315   1.668
  245    H    GLY  30           HN   GLY  30   3.417 -15.754   2.704
  246   1HA   GLY  30          1HA   GLY  30   5.020 -16.404   1.115
  247   2HA   GLY  30          2HA   GLY  30   4.112 -15.653  -0.191
  248    QA   GLY  30           QA   GLY  30   4.566 -16.028   0.462
  249    CH2  TRP  31           CH2  TRP  31   5.819  -7.892  -2.700
  250    H    TRP  31           HN   TRP  31   3.985 -13.306   2.154
  251    HA   TRP  31           HA   TRP  31   6.448 -11.967   1.124
  252   2HB   TRP  31          2HB   TRP  31   3.833 -10.944   2.237
  253   3HB   TRP  31          3HB   TRP  31   5.276 -10.005   1.932
  254    HD1  TRP  31           HD1  TRP  31   2.889 -12.123  -0.243
  255    HE1  TRP  31           HE1  TRP  31   2.739 -10.887  -2.504
  256    HE3  TRP  31           HE3  TRP  31   6.498  -8.711   0.557
  257    HZ2  TRP  31           HZ2  TRP  31   4.050  -8.508  -3.748
  258    HZ3  TRP  31           HZ3  TRP  31   7.448  -7.404  -1.389
  259    HH2  TRP  31           HH2  TRP  31   6.184  -7.279  -3.512
  260    QB   TRP  31           QB   TRP  31   4.555 -10.474   2.085
  261    H    ASN  32           HN   ASN  32   8.139 -11.659   2.537
  262    HA   ASN  32           HA   ASN  32   7.669 -10.628   5.168
  263   2HB   ASN  32          2HB   ASN  32   7.186 -12.888   5.833
  264   3HB   ASN  32          3HB   ASN  32   8.580 -13.516   4.942
  265   1HD2  ASN  32          2HD2  ASN  32  10.231 -13.575   8.064
  266   2HD2  ASN  32          1HD2  ASN  32   9.769 -14.431   6.607
  267    QB   ASN  32           QB   ASN  32   7.883 -13.202   5.387
  268    QD2  ASN  32           QD2  ASN  32  10.000 -14.003   7.335
  269    H    ASN  33           HN   ASN  33   9.723 -10.168   6.243
  270    HA   ASN  33           HA   ASN  33  11.771  -9.504   6.448
  271   2HB   ASN  33          2HB   ASN  33  11.983 -12.019   6.229
  272   3HB   ASN  33          3HB   ASN  33  12.373 -11.816   4.518
  273   1HD2  ASN  33          1HD2  ASN  33  13.455 -10.896   7.822
  274   2HD2  ASN  33          2HD2  ASN  33  15.158 -10.845   7.403
  275    QB   ASN  33           QB   ASN  33  12.178 -11.917   5.373
  276    QD2  ASN  33           QD2  ASN  33  14.307 -10.870   7.613
  277    H    CYS  34           HN   CYS  34  11.651  -7.420   5.540
  278    HA   CYS  34           HA   CYS  34  13.546  -6.874   3.390
  279   2HB   CYS  34          2HB   CYS  34  11.156  -7.591   2.462
  280   3HB   CYS  34          3HB   CYS  34  10.635  -6.081   3.123
  281    QB   CYS  34           QB   CYS  34  10.896  -6.836   2.793
  282    H    GLU  35           HN   GLU  35  14.423  -4.892   3.838
  283    HA   GLU  35           HA   GLU  35  12.813  -2.709   4.516
  284   2HB   GLU  35          2HB   GLU  35  13.638  -2.241   6.797
  285   3HB   GLU  35          3HB   GLU  35  12.591  -3.637   6.724
  286   1HG   GLU  35          2HG   GLU  35  14.125  -4.644   7.991
  287   2HG   GLU  35          3HG   GLU  35  15.001  -4.912   6.483
  288    QB   GLU  35           QB   GLU  35  13.115  -2.939   6.760
  289    QG   GLU  35           QG   GLU  35  14.563  -4.778   7.237
  290    H    GLY  36           HN   GLY  36  13.898  -1.060   3.619
  291   1HA   GLY  36          1HA   GLY  36  16.773  -1.339   2.961
  292   2HA   GLY  36          2HA   GLY  36  15.617  -0.158   2.324
  293    QA   GLY  36           QA   GLY  36  16.195  -0.748   2.642
  294    NH1  ARG  37           NH1  ARG  37  22.502  -1.096   6.733
  295    NH2  ARG  37           NH2  ARG  37  21.295  -1.722   4.851
  296    H    ARG  37           HN   ARG  37  16.111   1.874   3.050
  297    HA   ARG  37           HA   ARG  37  16.354   2.382   5.936
  298   2HB   ARG  37          2HB   ARG  37  18.629   2.961   3.972
  299   3HB   ARG  37          3HB   ARG  37  18.386   3.847   5.470
  300   1HG   ARG  37          2HG   ARG  37  19.775   2.484   6.356
  301   2HG   ARG  37          3HG   ARG  37  18.400   1.420   6.587
  302   1HD   ARG  37          2HD   ARG  37  19.126  -0.046   4.869
  303   2HD   ARG  37          3HD   ARG  37  20.129   1.193   4.084
  304    HE   ARG  37           HE   ARG  37  21.320   1.066   6.470
  305   1HH1  ARG  37          1HH1  ARG  37  22.971  -1.979   6.729
  306   2HH1  ARG  37          2HH1  ARG  37  22.717  -0.419   7.436
  307   1HH2  ARG  37          1HH2  ARG  37  21.761  -2.607   4.844
  308   2HH2  ARG  37          2HH2  ARG  37  20.611  -1.511   4.152
  309    QB   ARG  37           QB   ARG  37  18.507   3.404   4.721
  310    QG   ARG  37           QG   ARG  37  19.087   1.952   6.471
  311    QD   ARG  37           QD   ARG  37  19.628   0.573   4.477
  312    QH1  ARG  37           QH1  ARG  37  22.844  -1.199   7.083
  313    QH2  ARG  37           QH2  ARG  37  21.186  -2.059   4.498
  314    H    ALA  38           HN   ALA  38  14.173   3.093   4.918
  315    HA   ALA  38           HA   ALA  38  14.106   5.923   5.079
  316   1HB   ALA  38          3HB   ALA  38  13.950   4.808   2.247
  317   2HB   ALA  38          1HB   ALA  38  13.289   6.397   2.683
  318   3HB   ALA  38          2HB   ALA  38  15.005   6.107   2.846
  319    QB   ALA  38           QB   ALA  38  14.081   5.771   2.592
  320    H    ILE  39           HN   ILE  39  12.687   3.701   6.287
  321    HA   ILE  39           HA   ILE  39   9.924   4.384   5.631
  322    HB   ILE  39           HB   ILE  39   9.480   1.817   5.491
  323   2HG1  ILE  39          2HG1  ILE  39  12.280   1.842   4.268
  324   3HG1  ILE  39          3HG1  ILE  39  11.926   1.208   5.884
  325   1HG2  ILE  39          1HG2  ILE  39   9.030   3.491   3.670
  326   2HG2  ILE  39          2HG2  ILE  39  10.658   3.181   3.026
  327   3HG2  ILE  39          3HG2  ILE  39   9.457   1.906   3.050
  328   1HD1  ILE  39          1HD1  ILE  39  10.697   0.148   3.290
  329   2HD1  ILE  39          2HD1  ILE  39  12.039  -0.561   4.174
  330   3HD1  ILE  39          3HD1  ILE  39  10.447  -0.487   4.939
  331    QG1  ILE  39           QG1  ILE  39  12.103   1.525   5.076
  332    QG2  ILE  39           QG2  ILE  39   9.715   2.859   3.249
  333    QD1  ILE  39           QD1  ILE  39  11.061  -0.300   4.134
  334    H    ILE  40           HN   ILE  40   8.577   4.043   7.335
  335    HA   ILE  40           HA   ILE  40   9.866   3.431   9.946
  336    HB   ILE  40           HB   ILE  40   7.237   4.811   9.251
  337   2HG1  ILE  40          2HG1  ILE  40   9.058   6.220   8.522
  338   3HG1  ILE  40          3HG1  ILE  40   8.319   6.887   9.974
  339   1HG2  ILE  40          1HG2  ILE  40   8.578   4.189  11.891
  340   2HG2  ILE  40          2HG2  ILE  40   7.487   5.579  11.724
  341   3HG2  ILE  40          3HG2  ILE  40   6.893   3.950  11.395
  342   1HD1  ILE  40          1HD1  ILE  40  10.210   5.847  11.326
  343   2HD1  ILE  40          2HD1  ILE  40  10.983   5.417   9.781
  344   3HD1  ILE  40          3HD1  ILE  40  10.699   7.115  10.188
  345    QG1  ILE  40           QG1  ILE  40   8.689   6.554   9.248
  346    QG2  ILE  40           QG2  ILE  40   7.653   4.573  11.670
  347    QD1  ILE  40           QD1  ILE  40  10.631   6.126  10.432
  348    H    GLY  41           HN   GLY  41   7.186   2.443   7.842
  349   1HA   GLY  41          1HA   GLY  41   6.072   0.496   9.699
  350   2HA   GLY  41          2HA   GLY  41   5.798   0.613   7.949
  351    QA   GLY  41           QA   GLY  41   5.935   0.554   8.824
  352    OH   TYR  42           OH   TYR  42   2.936  -7.330   7.928
  353    H    TYR  42           HN   TYR  42   6.016  -1.768   8.128
  354    HA   TYR  42           HA   TYR  42   8.854  -2.662   7.970
  355   2HB   TYR  42          2HB   TYR  42   8.373  -4.712   8.753
  356   3HB   TYR  42          3HB   TYR  42   7.351  -3.723   9.781
  357    HD1  TYR  42           HD1  TYR  42   7.412  -6.785   8.362
  358    HD2  TYR  42           HD2  TYR  42   4.870  -3.299   8.450
  359    HE1  TYR  42           HE1  TYR  42   5.406  -8.215   8.090
  360    HE2  TYR  42           HE2  TYR  42   2.922  -4.713   7.950
  361    HH   TYR  42           HH   TYR  42   2.242  -6.865   7.463
  362    QB   TYR  42           QB   TYR  42   7.862  -4.218   9.267
  363    QB   TYR  42           QB   TYR  42   7.862  -4.218   9.267
  364    H    CYS  43           HN   CYS  43   9.485  -3.427   5.995
  365    HA   CYS  43           HA   CYS  43   7.397  -3.605   3.865
  366   2HB   CYS  43          2HB   CYS  43   9.414  -2.153   3.480
  367   3HB   CYS  43          3HB   CYS  43  10.407  -3.618   3.535
  368    QB   CYS  43           QB   CYS  43   9.910  -2.885   3.507
  369    H    CYS  44           HN   CYS  44   7.603  -5.563   2.433
  370    HA   CYS  44           HA   CYS  44   8.958  -7.868   3.784
  371   2HB   CYS  44          2HB   CYS  44   6.233  -7.839   2.544
  372   3HB   CYS  44          3HB   CYS  44   7.109  -9.285   2.992
  373    QB   CYS  44           QB   CYS  44   6.671  -8.562   2.768
  374    H    LYS  45           HN   LYS  45   9.314  -9.552   2.157
  375    HA   LYS  45           HA   LYS  45   9.628  -8.769  -0.686
  376   2HB   LYS  45          2HB   LYS  45  11.625  -8.671   0.828
  377   3HB   LYS  45          3HB   LYS  45  11.502 -10.315   1.195
  378   1HG   LYS  45          2HG   LYS  45  11.851  -9.250  -1.667
  379   2HG   LYS  45          3HG   LYS  45  13.219  -9.524  -0.566
  380   1HD   LYS  45          2HD   LYS  45  11.347 -11.687  -1.592
  381   2HD   LYS  45          3HD   LYS  45  13.025 -11.423  -1.956
  382   2HE   LYS  45          2HE   LYS  45  13.188 -13.164  -0.465
  383   3HE   LYS  45          3HE   LYS  45  13.512 -11.778   0.571
  384   1HZ   LYS  45          1HZ   LYS  45  10.816 -12.245   0.708
  385   2HZ   LYS  45          2HZ   LYS  45  11.504 -13.725   0.754
  386   3HZ   LYS  45          3HZ   LYS  45  11.934 -12.591   1.848
  387    QB   LYS  45           QB   LYS  45  11.564  -9.493   1.012
  388    QG   LYS  45           QG   LYS  45  12.535  -9.387  -1.117
  389    QD   LYS  45           QD   LYS  45  12.186 -11.555  -1.774
  390    QE   LYS  45           QE   LYS  45  13.350 -12.471   0.053
  391    QZ   LYS  45           QZ   LYS  45  11.341 -12.434   1.306
  392    H    GLN  46           HN   GLN  46   8.987 -10.381  -2.080
  393    HA   GLN  46           HA   GLN  46   7.972 -12.987  -1.013
  394   2HB   GLN  46          2HB   GLN  46   6.802 -13.030  -3.254
  395   3HB   GLN  46          3HB   GLN  46   6.229 -11.834  -2.094
  396   1HG   GLN  46          2HG   GLN  46   6.960 -10.050  -3.320
  397   2HG   GLN  46          3HG   GLN  46   8.404 -10.832  -3.915
  398   1HE2  GLN  46          1HE2  GLN  46   6.998 -12.356  -6.753
  399   2HE2  GLN  46          2HE2  GLN  46   8.166 -12.612  -5.445
  400    QB   GLN  46           QB   GLN  46   6.516 -12.432  -2.674
  401    QG   GLN  46           QG   GLN  46   7.682 -10.441  -3.618
  402    QE2  GLN  46           QE2  GLN  46   7.582 -12.484  -6.099
  
  Start of MODEL            3
 Raw file had 402 H/Q atoms
    1   1H    GLY   1          3HN   GLY   1  -0.350  -1.028   0.124
    2   2H    GLY   1          1HN   GLY   1  -0.376   0.441   0.889
    3   3H    GLY   1          2HN   GLY   1  -0.413   0.368  -0.765
    4   1HA   GLY   1          1HA   GLY   1   1.776   0.477  -0.866
    5   2HA   GLY   1          2HA   GLY   1   1.793   0.499   0.922
    6    QA   GLY   1           QA   GLY   1   1.785   0.488   0.028
    7    H    ALA   2           HN   ALA   2   3.891  -0.880   0.026
    8    HA   ALA   2           HA   ALA   2   3.259  -3.584   0.896
    9   1HB   ALA   2          2HB   ALA   2   3.164  -3.727  -1.600
   10   2HB   ALA   2          3HB   ALA   2   4.788  -3.002  -1.686
   11   3HB   ALA   2          1HB   ALA   2   4.560  -4.600  -0.938
   12    QB   ALA   2           QB   ALA   2   4.171  -3.776  -1.408
   13    H    ALA   3           HN   ALA   3   5.589  -4.682   1.041
   14    HA   ALA   3           HA   ALA   3   6.945  -3.222   3.007
   15   1HB   ALA   3          2HB   ALA   3   6.797  -5.649   2.986
   16   2HB   ALA   3          3HB   ALA   3   7.888  -5.707   1.580
   17   3HB   ALA   3          1HB   ALA   3   8.465  -5.079   3.136
   18    QB   ALA   3           QB   ALA   3   7.717  -5.478   2.567
   19    H    CYS   4           HN   CYS   4   9.086  -2.289   3.029
   20    HA   CYS   4           HA   CYS   4  10.744  -1.997   0.671
   21   2HB   CYS   4          2HB   CYS   4  10.306   0.555   0.579
   22   3HB   CYS   4          3HB   CYS   4   8.766  -0.287   0.300
   23    QB   CYS   4           QB   CYS   4   9.536   0.134   0.440
   24    H    LEU   5           HN   LEU   5  12.535  -0.724   0.919
   25    HA   LEU   5           HA   LEU   5  13.663  -1.009   3.562
   26   2HB   LEU   5          2HB   LEU   5  14.862  -0.940   0.854
   27   3HB   LEU   5          3HB   LEU   5  15.816  -0.949   2.343
   28    HG   LEU   5           HG   LEU   5  13.734  -3.091   2.170
   29   1HD1  LEU   5          1HD1  LEU   5  14.602  -3.027  -0.176
   30   2HD1  LEU   5          2HD1  LEU   5  16.239  -3.284   0.462
   31   3HD1  LEU   5          3HD1  LEU   5  14.998  -4.525   0.688
   32   1HD2  LEU   5          1HD2  LEU   5  15.411  -2.905   4.043
   33   2HD2  LEU   5          2HD2  LEU   5  15.499  -4.445   3.170
   34   3HD2  LEU   5          3HD2  LEU   5  16.706  -3.186   2.867
   35    QB   LEU   5           QB   LEU   5  15.339  -0.945   1.599
   36    QD1  LEU   5           QD1  LEU   5  15.280  -3.612   0.325
   37    QD2  LEU   5           QD2  LEU   5  15.872  -3.512   3.360
   38    QQD  LEU   5           QQD  LEU   5  15.576  -3.562   1.842
   39    H    CYS   6           HN   CYS   6  15.056   0.742   4.493
   40    HA   CYS   6           HA   CYS   6  14.232   3.503   3.688
   41   2HB   CYS   6          2HB   CYS   6  15.236   2.239   6.208
   42   3HB   CYS   6          3HB   CYS   6  15.875   3.807   5.891
   43    QB   CYS   6           QB   CYS   6  15.556   3.023   6.049
   44    H    LYS   7           HN   LYS   7  16.333   4.975   4.336
   45    HA   LYS   7           HA   LYS   7  18.037   4.979   2.287
   46   2HB   LYS   7          2HB   LYS   7  17.948   6.764   3.891
   47   3HB   LYS   7          3HB   LYS   7  18.568   5.741   5.186
   48   1HG   LYS   7          2HG   LYS   7  20.793   5.565   3.901
   49   2HG   LYS   7          3HG   LYS   7  20.057   6.581   2.680
   50   1HD   LYS   7          2HD   LYS   7  20.694   8.421   3.695
   51   2HD   LYS   7          3HD   LYS   7  19.644   8.053   5.055
   52   2HE   LYS   7          2HE   LYS   7  22.545   7.149   4.674
   53   3HE   LYS   7          3HE   LYS   7  21.994   8.417   5.778
   54   1HZ   LYS   7          2HZ   LYS   7  21.184   5.601   5.957
   55   2HZ   LYS   7          3HZ   LYS   7  22.359   6.287   6.860
   56   3HZ   LYS   7          1HZ   LYS   7  20.812   6.787   7.016
   57    QB   LYS   7           QB   LYS   7  18.258   6.253   4.538
   58    QG   LYS   7           QG   LYS   7  20.425   6.073   3.290
   59    QD   LYS   7           QD   LYS   7  20.169   8.237   4.375
   60    QE   LYS   7           QE   LYS   7  22.270   7.783   5.226
   61    QZ   LYS   7           QZ   LYS   7  21.578   6.504   6.970
   62    H    SER   8           HN   SER   8  18.228   2.888   5.076
   63    HA   SER   8           HA   SER   8  20.819   1.722   4.330
   64   2HB   SER   8          2HB   SER   8  19.137   1.841   6.747
   65   3HB   SER   8          3HB   SER   8  19.721   0.213   6.456
   66    HG   SER   8           HG   SER   8  21.834   1.039   6.310
   67    QB   SER   8           QB   SER   8  19.429   1.027   6.602
   68    H    ASP   9           HN   ASP   9  18.455   1.456   2.462
   69    HA   ASP   9           HA   ASP   9  17.920  -1.304   2.173
   70   2HB   ASP   9          2HB   ASP   9  16.962   0.608   0.822
   71   3HB   ASP   9          3HB   ASP   9  18.543   0.730   0.003
   72    QB   ASP   9           QB   ASP   9  17.753   0.669   0.412
   73    H    GLY  10           HN   GLY  10  19.088  -2.978   1.530
   74   1HA   GLY  10          1HA   GLY  10  21.173  -3.458   0.035
   75   2HA   GLY  10          2HA   GLY  10  22.012  -2.748   1.442
   76    QA   GLY  10           QA   GLY  10  21.593  -3.103   0.738
   77    HA   PRO  11           HA   PRO  11  21.129  -7.267   2.349
   78   2HB   PRO  11          2HB   PRO  11  23.684  -8.145   2.761
   79   3HB   PRO  11          3HB   PRO  11  22.979  -7.955   1.137
   80   1HG   PRO  11          2HG   PRO  11  24.779  -6.011   2.597
   81   2HG   PRO  11          3HG   PRO  11  24.926  -6.594   0.913
   82   1HD   PRO  11          2HD   PRO  11  23.747  -4.211   1.575
   83   2HD   PRO  11          3HD   PRO  11  23.182  -5.181   0.184
   84    QB   PRO  11           QB   PRO  11  23.331  -8.050   1.949
   85    QG   PRO  11           QG   PRO  11  24.853  -6.302   1.755
   86    QD   PRO  11           QD   PRO  11  23.465  -4.696   0.879
   87    H    ASN  12           HN   ASN  12  20.200  -5.680   4.057
   88    HA   ASN  12           HA   ASN  12  21.498  -6.213   6.665
   89   2HB   ASN  12          2HB   ASN  12  22.237  -3.955   5.472
   90   3HB   ASN  12          3HB   ASN  12  20.670  -3.364   6.012
   91   1HD2  ASN  12          1HD2  ASN  12  23.572  -2.951   8.543
   92   2HD2  ASN  12          2HD2  ASN  12  23.520  -2.711   6.805
   93    QB   ASN  12           QB   ASN  12  21.454  -3.659   5.742
   94    QD2  ASN  12           QD2  ASN  12  23.546  -2.831   7.674
   95    H    THR  13           HN   THR  13  19.814  -7.240   7.658
   96    HA   THR  13           HA   THR  13  17.093  -6.021   7.559
   97    HB   THR  13           HB   THR  13  17.051  -7.682   5.870
   98    HG1  THR  13           HG1  THR  13  15.255  -7.662   7.237
   99   1HG2  THR  13          3HG2  THR  13  18.244  -9.655   7.856
  100   2HG2  THR  13          2HG2  THR  13  17.528 -10.073   6.292
  101   3HG2  THR  13          1HG2  THR  13  18.978  -9.065   6.347
  102    QG2  THR  13           QG2  THR  13  18.250  -9.598   6.832
  103    NH1  ARG  14           NH1  ARG  14  21.957  -3.066  16.542
  104    NH2  ARG  14           NH2  ARG  14  20.135  -4.349  17.182
  105    H    ARG  14           HN   ARG  14  18.306  -5.160   9.540
  106    HA   ARG  14           HA   ARG  14  18.434  -7.071  11.742
  107   2HB   ARG  14          2HB   ARG  14  19.866  -4.849  11.069
  108   3HB   ARG  14          3HB   ARG  14  18.746  -4.107  12.205
  109   1HG   ARG  14          2HG   ARG  14  20.094  -6.699  12.999
  110   2HG   ARG  14          3HG   ARG  14  21.123  -5.303  12.808
  111   1HD   ARG  14          2HD   ARG  14  18.692  -4.766  14.465
  112   2HD   ARG  14          3HD   ARG  14  19.770  -6.023  15.092
  113    HE   ARG  14           HE   ARG  14  21.210  -3.659  14.220
  114   1HH1  ARG  14          1HH1  ARG  14  22.150  -2.860  17.501
  115   2HH1  ARG  14          2HH1  ARG  14  22.542  -2.692  15.823
  116   1HH2  ARG  14          1HH2  ARG  14  20.327  -4.143  18.142
  117   2HH2  ARG  14          2HH2  ARG  14  19.360  -4.933  16.941
  118    QB   ARG  14           QB   ARG  14  19.306  -4.478  11.637
  119    QG   ARG  14           QG   ARG  14  20.608  -6.001  12.903
  120    QD   ARG  14           QD   ARG  14  19.231  -5.394  14.778
  121    QH1  ARG  14           QH1  ARG  14  22.346  -2.776  16.662
  122    QH2  ARG  14           QH2  ARG  14  19.843  -4.538  17.541
  123    H    GLY  15           HN   GLY  15  15.956  -5.310  10.333
  124   1HA   GLY  15          1HA   GLY  15  13.710  -5.660  11.196
  125   2HA   GLY  15          2HA   GLY  15  14.289  -5.329  12.835
  126    QA   GLY  15           QA   GLY  15  14.000  -5.495  12.016
  127    H    ASN  16           HN   ASN  16  15.960  -3.151  12.371
  128    HA   ASN  16           HA   ASN  16  14.035  -1.046  11.529
  129   2HB   ASN  16          2HB   ASN  16  14.796  -1.114  13.921
  130   3HB   ASN  16          3HB   ASN  16  16.425  -0.732  13.354
  131   1HD2  ASN  16          1HD2  ASN  16  16.467   1.316  14.480
  132   2HD2  ASN  16          2HD2  ASN  16  15.433   2.646  13.987
  133    QB   ASN  16           QB   ASN  16  15.611  -0.923  13.637
  134    QD2  ASN  16           QD2  ASN  16  15.950   1.981  14.233
  135    H    SER  17           HN   SER  17  15.791  -2.650   9.764
  136    HA   SER  17           HA   SER  17  17.657  -0.650   8.652
  137   2HB   SER  17          2HB   SER  17  17.006  -3.398   7.540
  138   3HB   SER  17          3HB   SER  17  18.461  -2.427   7.304
  139    HG   SER  17           HG   SER  17  18.956  -2.764   9.505
  140    QB   SER  17           QB   SER  17  17.733  -2.912   7.422
  141    H    MET  18           HN   MET  18  14.580  -2.354   7.852
  142    HA   MET  18           HA   MET  18  14.586  -1.155   5.279
  143   2HB   MET  18          2HB   MET  18  12.680  -2.487   4.688
  144   3HB   MET  18          3HB   MET  18  13.542  -3.477   5.780
  145   1HG   MET  18          2HG   MET  18  12.007  -2.172   7.593
  146   2HG   MET  18          3HG   MET  18  11.013  -1.897   6.159
  147   1HE   MET  18          2HE   MET  18   9.907  -3.752   4.749
  148   2HE   MET  18          3HE   MET  18  11.412  -4.698   4.596
  149   3HE   MET  18          1HE   MET  18   9.924  -5.480   5.181
  150    QB   MET  18           QB   MET  18  13.111  -2.982   5.234
  151    QG   MET  18           QG   MET  18  11.510  -2.034   6.876
  152    QE   MET  18           QE   MET  18  10.414  -4.643   4.842
  153    H    SER  19           HN   SER  19  12.237  -0.362   4.600
  154    HA   SER  19           HA   SER  19  11.875   2.266   5.895
  155   2HB   SER  19          2HB   SER  19  11.444   1.251   3.105
  156   3HB   SER  19          3HB   SER  19  10.274   2.310   3.839
  157    HG   SER  19           HG   SER  19  12.534   2.974   2.742
  158    QB   SER  19           QB   SER  19  10.859   1.781   3.472
  159    H    GLY  20           HN   GLY  20   9.937  -0.602   4.943
  160   1HA   GLY  20          1HA   GLY  20   8.295  -1.332   6.560
  161   2HA   GLY  20          2HA   GLY  20   7.869   0.320   6.938
  162    QA   GLY  20           QA   GLY  20   8.082  -0.506   6.749
  163    H    THR  21           HN   THR  21   6.168   1.251   5.681
  164    HA   THR  21           HA   THR  21   5.012  -0.457   3.496
  165    HB   THR  21           HB   THR  21   3.664   1.267   5.595
  166    HG1  THR  21           HG1  THR  21   2.812  -0.787   6.147
  167   1HG2  THR  21          2HG2  THR  21   2.420  -0.258   3.272
  168   2HG2  THR  21          1HG2  THR  21   1.526   0.445   4.637
  169   3HG2  THR  21          3HG2  THR  21   2.378   1.509   3.514
  170    QG2  THR  21           QG2  THR  21   2.108   0.565   3.808
  171    H    ILE  22           HN   ILE  22   4.683   0.500   1.555
  172    HA   ILE  22           HA   ILE  22   5.624   3.222   1.136
  173    HB   ILE  22           HB   ILE  22   4.339   1.268  -0.705
  174   2HG1  ILE  22          2HG1  ILE  22   7.271   2.102  -0.630
  175   3HG1  ILE  22          3HG1  ILE  22   6.626   0.730   0.271
  176   1HG2  ILE  22          1HG2  ILE  22   5.728   3.891  -1.387
  177   2HG2  ILE  22          2HG2  ILE  22   5.208   2.683  -2.576
  178   3HG2  ILE  22          3HG2  ILE  22   4.001   3.532  -1.622
  179   1HD1  ILE  22          2HD1  ILE  22   5.785  -0.350  -1.744
  180   2HD1  ILE  22          3HD1  ILE  22   6.545   0.904  -2.746
  181   3HD1  ILE  22          1HD1  ILE  22   7.541  -0.156  -1.741
  182    QG1  ILE  22           QG1  ILE  22   6.949   1.416  -0.179
  183    QG2  ILE  22           QG2  ILE  22   4.979   3.369  -1.862
  184    QD1  ILE  22           QD1  ILE  22   6.624   0.133  -2.077
  185    CH2  TRP  23           CH2  TRP  23  -0.902   2.976   5.074
  186    H    TRP  23           HN   TRP  23   4.629   5.085   0.811
  187    HA   TRP  23           HA   TRP  23   1.670   5.136   0.730
  188   2HB   TRP  23          2HB   TRP  23   3.508   6.744   2.516
  189   3HB   TRP  23          3HB   TRP  23   1.757   7.007   2.349
  190    HD1  TRP  23           HD1  TRP  23   4.289   5.189   4.363
  191    HE1  TRP  23           HE1  TRP  23   3.269   3.500   5.925
  192    HE3  TRP  23           HE3  TRP  23  -0.517   5.305   2.603
  193    HZ2  TRP  23           HZ2  TRP  23   0.676   2.300   6.391
  194    HZ3  TRP  23           HZ3  TRP  23  -2.252   3.897   3.667
  195    HH2  TRP  23           HH2  TRP  23  -1.665   2.364   5.532
  196    QB   TRP  23           QB   TRP  23   2.632   6.876   2.432
  197    H    VAL  24           HN   VAL  24   0.999   6.667  -0.723
  198    HA   VAL  24           HA   VAL  24   3.105   7.995  -2.333
  199    HB   VAL  24           HB   VAL  24   0.133   7.588  -2.774
  200   1HG1  VAL  24          3HG1  VAL  24   2.284   8.728  -4.617
  201   2HG1  VAL  24          1HG1  VAL  24   0.647   8.265  -5.125
  202   3HG1  VAL  24          2HG1  VAL  24   0.866   9.600  -3.990
  203   1HG2  VAL  24          3HG2  VAL  24   2.599   6.234  -3.953
  204   2HG2  VAL  24          1HG2  VAL  24   1.412   5.481  -2.870
  205   3HG2  VAL  24          2HG2  VAL  24   0.931   5.970  -4.497
  206    QG1  VAL  24           QG1  VAL  24   1.266   8.864  -4.577
  207    QG2  VAL  24           QG2  VAL  24   1.647   5.895  -3.773
  208    QQG  VAL  24           QQG  VAL  24   1.457   7.380  -4.175
  209    H    PHE  25           HN   PHE  25   0.685   8.744   0.087
  210    HA   PHE  25           HA   PHE  25   1.249  11.635  -0.308
  211   2HB   PHE  25          2HB   PHE  25  -1.377  10.258   0.584
  212   3HB   PHE  25          3HB   PHE  25  -1.144  11.996   0.497
  213    HD1  PHE  25           HD1  PHE  25  -2.007  13.082  -1.400
  214    HD2  PHE  25           HD2  PHE  25  -1.284   8.841  -1.523
  215    HE1  PHE  25           HE1  PHE  25  -3.211  12.929  -3.554
  216    HE2  PHE  25           HE2  PHE  25  -2.341   8.721  -3.760
  217    HZ   PHE  25           HZ   PHE  25  -3.330  10.765  -4.771
  218    QB   PHE  25           QB   PHE  25  -1.260  11.127   0.540
  219    QB   PHE  25           QB   PHE  25  -1.260  11.127   0.540
  220    H    GLY  26           HN   GLY  26  -0.591  10.156   2.379
  221   1HA   GLY  26          1HA   GLY  26   1.296  11.542   4.238
  222   2HA   GLY  26          2HA   GLY  26  -0.473  11.611   4.372
  223    QA   GLY  26           QA   GLY  26   0.412  11.576   4.305
  224    H    CYS  27           HN   CYS  27   1.399  10.489   6.332
  225    HA   CYS  27           HA   CYS  27   1.206   7.581   5.909
  226   2HB   CYS  27          2HB   CYS  27   3.353   8.984   6.543
  227   3HB   CYS  27          3HB   CYS  27   2.795   8.657   8.205
  228    QB   CYS  27           QB   CYS  27   3.074   8.821   7.374
  229    HA   PRO  28           HA   PRO  28  -1.985   7.624   9.089
  230   2HB   PRO  28          2HB   PRO  28  -1.514   4.891   9.981
  231   3HB   PRO  28          3HB   PRO  28  -2.858   5.531   9.005
  232   1HG   PRO  28          2HG   PRO  28  -0.811   3.842   8.037
  233   2HG   PRO  28          3HG   PRO  28  -1.918   4.838   7.052
  234   1HD   PRO  28          2HD   PRO  28   0.923   5.357   7.781
  235   2HD   PRO  28          3HD   PRO  28  -0.012   5.859   6.339
  236    QB   PRO  28           QB   PRO  28  -2.186   5.211   9.493
  237    QG   PRO  28           QG   PRO  28  -1.365   4.340   7.544
  238    QD   PRO  28           QD   PRO  28   0.456   5.608   7.060
  239    H    SER  29           HN   SER  29  -2.159   7.776  11.395
  240    HA   SER  29           HA   SER  29   0.192   8.568  12.730
  241   2HB   SER  29          2HB   SER  29  -2.289   9.098  13.272
  242   3HB   SER  29          3HB   SER  29  -2.270   7.579  14.201
  243    HG   SER  29           HG   SER  29  -1.675   9.559  15.372
  244    QB   SER  29           QB   SER  29  -2.280   8.339  13.736
  245    H    GLY  30           HN   GLY  30   1.712   7.459  13.891
  246   1HA   GLY  30          1HA   GLY  30   2.355   5.512  15.277
  247   2HA   GLY  30          2HA   GLY  30   1.423   4.478  14.194
  248    QA   GLY  30           QA   GLY  30   1.889   4.995  14.736
  249    CH2  TRP  31           CH2  TRP  31   3.676  -0.036   8.347
  250    H    TRP  31           HN   TRP  31   2.287   6.129  11.794
  251    HA   TRP  31           HA   TRP  31   4.720   4.531  11.323
  252   2HB   TRP  31          2HB   TRP  31   2.731   5.989   9.579
  253   3HB   TRP  31          3HB   TRP  31   4.152   5.125   9.011
  254    HD1  TRP  31           HD1  TRP  31   0.811   4.265  10.735
  255    HE1  TRP  31           HE1  TRP  31   0.249   1.844  10.134
  256    HE3  TRP  31           HE3  TRP  31   5.129   3.075   8.406
  257    HZ2  TRP  31           HZ2  TRP  31   1.609  -0.421   8.839
  258    HZ3  TRP  31           HZ3  TRP  31   5.648   0.662   7.853
  259    HH2  TRP  31           HH2  TRP  31   3.907  -1.069   8.127
  260    QB   TRP  31           QB   TRP  31   3.441   5.557   9.295
  261    H    ASN  32           HN   ASN  32   6.655   5.359  10.602
  262    HA   ASN  32           HA   ASN  32   7.107   8.307  10.818
  263   2HB   ASN  32          2HB   ASN  32   8.296   7.016  12.464
  264   3HB   ASN  32          3HB   ASN  32   8.933   5.918  11.235
  265   1HD2  ASN  32          1HD2  ASN  32  10.316   6.939   9.487
  266   2HD2  ASN  32          2HD2  ASN  32  11.327   8.300   9.935
  267    QB   ASN  32           QB   ASN  32   8.615   6.467  11.849
  268    QD2  ASN  32           QD2  ASN  32  10.821   7.620   9.711
  269    H    ASN  33           HN   ASN  33   7.076   9.201   8.852
  270    HA   ASN  33           HA   ASN  33   7.615   8.330   6.311
  271   2HB   ASN  33          2HB   ASN  33   8.503  11.016   7.420
  272   3HB   ASN  33          3HB   ASN  33   8.018  10.651   5.769
  273   1HD2  ASN  33          2HD2  ASN  33   6.038  11.696   5.368
  274   2HD2  ASN  33          1HD2  ASN  33   4.751  11.797   6.558
  275    QB   ASN  33           QB   ASN  33   8.260  10.833   6.595
  276    QD2  ASN  33           QD2  ASN  33   5.394  11.747   5.963
  277    H    CYS  34           HN   CYS  34   9.495   7.692   5.060
  278    HA   CYS  34           HA   CYS  34  12.020   8.862   5.636
  279   2HB   CYS  34          2HB   CYS  34  13.084   7.209   6.706
  280   3HB   CYS  34          3HB   CYS  34  11.540   6.396   6.944
  281    QB   CYS  34           QB   CYS  34  12.312   6.802   6.825
  282    H    GLU  35           HN   GLU  35  13.562   7.716   3.967
  283    HA   GLU  35           HA   GLU  35  12.296   7.711   1.322
  284   2HB   GLU  35          2HB   GLU  35  14.367   8.508   0.386
  285   3HB   GLU  35          3HB   GLU  35  13.748   9.654   1.579
  286   1HG   GLU  35          2HG   GLU  35  15.774   9.742   2.463
  287   2HG   GLU  35          3HG   GLU  35  15.608   8.076   2.998
  288    QB   GLU  35           QB   GLU  35  14.057   9.081   0.983
  289    QG   GLU  35           QG   GLU  35  15.691   8.909   2.730
  290    H    GLY  36           HN   GLY  36  12.513   5.920   0.301
  291   1HA   GLY  36          1HA   GLY  36  14.468   3.806   1.131
  292   2HA   GLY  36          2HA   GLY  36  12.897   3.482   0.344
  293    QA   GLY  36           QA   GLY  36  13.683   3.644   0.738
  294    NH1  ARG  37           NH1  ARG  37  19.138   5.875   0.232
  295    NH2  ARG  37           NH2  ARG  37  18.863   7.277  -1.579
  296    H    ARG  37           HN   ARG  37  14.870   2.226  -0.821
  297    HA   ARG  37           HA   ARG  37  15.994   3.955  -2.985
  298   2HB   ARG  37          2HB   ARG  37  17.112   1.442  -1.746
  299   3HB   ARG  37          3HB   ARG  37  17.823   2.385  -3.052
  300   1HG   ARG  37          2HG   ARG  37  17.300   4.298  -1.066
  301   2HG   ARG  37          3HG   ARG  37  17.766   2.900  -0.118
  302   1HD   ARG  37          2HD   ARG  37  19.918   3.390  -0.545
  303   2HD   ARG  37          3HD   ARG  37  19.661   2.954  -2.216
  304    HE   ARG  37           HE   ARG  37  19.728   5.182  -2.844
  305   1HH1  ARG  37          1HH1  ARG  37  18.892   6.627   0.844
  306   2HH1  ARG  37          2HH1  ARG  37  19.341   4.971   0.607
  307   1HH2  ARG  37          2HH2  ARG  37  18.859   7.422  -2.568
  308   2HH2  ARG  37          1HH2  ARG  37  18.620   8.026  -0.963
  309    QB   ARG  37           QB   ARG  37  17.468   1.913  -2.399
  310    QG   ARG  37           QG   ARG  37  17.533   3.599  -0.592
  311    QD   ARG  37           QD   ARG  37  19.789   3.172  -1.380
  312    QH1  ARG  37           QH1  ARG  37  19.117   5.799   0.726
  313    QH2  ARG  37           QH2  ARG  37  18.740   7.724  -1.765
  314    H    ALA  38           HN   ALA  38  13.566   3.100  -3.372
  315    HA   ALA  38           HA   ALA  38  13.663   1.907  -5.946
  316   1HB   ALA  38          2HB   ALA  38  12.815  -0.078  -3.784
  317   2HB   ALA  38          3HB   ALA  38  12.593  -0.321  -5.529
  318   3HB   ALA  38          1HB   ALA  38  14.214  -0.245  -4.862
  319    QB   ALA  38           QB   ALA  38  13.207  -0.215  -4.725
  320    H    ILE  39           HN   ILE  39  12.357   4.160  -4.817
  321    HA   ILE  39           HA   ILE  39   9.589   3.632  -5.497
  322    HB   ILE  39           HB   ILE  39   8.870   4.752  -3.271
  323   2HG1  ILE  39          2HG1  ILE  39  11.549   3.590  -2.344
  324   3HG1  ILE  39          3HG1  ILE  39  11.064   5.295  -2.334
  325   1HG2  ILE  39          3HG2  ILE  39   8.459   2.341  -4.048
  326   2HG2  ILE  39          1HG2  ILE  39   9.756   1.891  -2.908
  327   3HG2  ILE  39          2HG2  ILE  39   8.305   2.738  -2.345
  328   1HD1  ILE  39          2HD1  ILE  39   9.178   4.608  -0.752
  329   2HD1  ILE  39          3HD1  ILE  39   9.925   2.994  -0.677
  330   3HD1  ILE  39          1HD1  ILE  39  10.824   4.406  -0.118
  331    QG1  ILE  39           QG1  ILE  39  11.307   4.443  -2.339
  332    QG2  ILE  39           QG2  ILE  39   8.840   2.323  -3.100
  333    QD1  ILE  39           QD1  ILE  39   9.976   4.003  -0.516
  334    H    ILE  40           HN   ILE  40   8.414   5.512  -5.854
  335    HA   ILE  40           HA   ILE  40  10.089   7.773  -6.691
  336    HB   ILE  40           HB   ILE  40   7.110   7.228  -7.067
  337   2HG1  ILE  40          2HG1  ILE  40   8.056   7.024  -9.545
  338   3HG1  ILE  40          3HG1  ILE  40   9.557   6.570  -8.739
  339   1HG2  ILE  40          2HG2  ILE  40   7.802   9.676  -7.205
  340   2HG2  ILE  40          3HG2  ILE  40   8.876   9.218  -8.538
  341   3HG2  ILE  40          1HG2  ILE  40   7.121   9.002  -8.679
  342   1HD1  ILE  40          2HD1  ILE  40   6.836   5.208  -8.398
  343   2HD1  ILE  40          3HD1  ILE  40   8.144   4.649  -9.454
  344   3HD1  ILE  40          1HD1  ILE  40   8.370   4.628  -7.705
  345    QG1  ILE  40           QG1  ILE  40   8.807   6.797  -9.142
  346    QG2  ILE  40           QG2  ILE  40   7.933   9.299  -8.141
  347    QD1  ILE  40           QD1  ILE  40   7.783   4.828  -8.519
  348    H    GLY  41           HN   GLY  41   7.223   7.207  -4.589
  349   1HA   GLY  41          1HA   GLY  41   7.027   9.970  -3.805
  350   2HA   GLY  41          2HA   GLY  41   6.134   8.604  -3.136
  351    QA   GLY  41           QA   GLY  41   6.581   9.287  -3.470
  352    OH   TYR  42           OH   TYR  42   3.094   8.988   3.958
  353    H    TYR  42           HN   TYR  42   6.857   7.577  -1.276
  354    HA   TYR  42           HA   TYR  42   9.340   8.007   0.054
  355   2HB   TYR  42          2HB   TYR  42   8.751   9.425   1.748
  356   3HB   TYR  42          3HB   TYR  42   7.964  10.224   0.406
  357    HD1  TYR  42           HD1  TYR  42   5.360   9.393   0.037
  358    HD2  TYR  42           HD2  TYR  42   7.590   9.343   3.730
  359    HE1  TYR  42           HE1  TYR  42   3.255   9.231   1.317
  360    HE2  TYR  42           HE2  TYR  42   5.466   9.309   4.994
  361    HH   TYR  42           HH   TYR  42   2.356   8.713   3.411
  362    QB   TYR  42           QB   TYR  42   8.358   9.825   1.077
  363    QB   TYR  42           QB   TYR  42   8.358   9.825   1.077
  364    H    CYS  43           HN   CYS  43   9.084   6.836   2.307
  365    HA   CYS  43           HA   CYS  43   6.853   4.806   2.159
  366   2HB   CYS  43          2HB   CYS  43   9.551   4.094   1.715
  367   3HB   CYS  43          3HB   CYS  43   9.278   3.939   3.446
  368    QB   CYS  43           QB   CYS  43   9.415   4.016   2.580
  369    H    CYS  44           HN   CYS  44   6.689   3.775   4.515
  370    HA   CYS  44           HA   CYS  44   7.847   5.616   6.536
  371   2HB   CYS  44          2HB   CYS  44   5.036   4.620   6.657
  372   3HB   CYS  44          3HB   CYS  44   5.919   5.484   7.933
  373    QB   CYS  44           QB   CYS  44   5.477   5.052   7.295
  374    H    LYS  45           HN   LYS  45   8.426   4.699   8.441
  375    HA   LYS  45           HA   LYS  45   8.442   1.739   8.592
  376   2HB   LYS  45          2HB   LYS  45  10.415   3.689   8.952
  377   3HB   LYS  45          3HB   LYS  45   9.988   3.262  10.601
  378   1HG   LYS  45          2HG   LYS  45  10.843   1.376   8.352
  379   2HG   LYS  45          3HG   LYS  45  11.897   1.931   9.589
  380   1HD   LYS  45          2HD   LYS  45   9.395   0.485  10.531
  381   2HD   LYS  45          3HD   LYS  45  10.534  -0.448   9.569
  382   2HE   LYS  45          2HE   LYS  45  11.074  -0.656  11.964
  383   3HE   LYS  45          3HE   LYS  45  12.343   0.098  10.988
  384   1HZ   LYS  45          3HZ   LYS  45  11.309   2.252  11.745
  385   2HZ   LYS  45          1HZ   LYS  45  10.608   1.375  12.931
  386   3HZ   LYS  45          2HZ   LYS  45  12.236   1.429  12.808
  387    QB   LYS  45           QB   LYS  45  10.201   3.476   9.776
  388    QG   LYS  45           QG   LYS  45  11.370   1.653   8.970
  389    QD   LYS  45           QD   LYS  45   9.965   0.019  10.050
  390    QE   LYS  45           QE   LYS  45  11.708  -0.279  11.476
  391    QZ   LYS  45           QZ   LYS  45  10.961   1.850  12.366
  392    H    GLN  46           HN   GLN  46   7.289   0.659  10.032
  393    HA   GLN  46           HA   GLN  46   5.387   1.977  11.721
  394   2HB   GLN  46          2HB   GLN  46   5.531  -0.412  10.409
  395   3HB   GLN  46          3HB   GLN  46   5.931  -0.994  12.003
  396   1HG   GLN  46          2HG   GLN  46   3.519   0.769  11.368
  397   2HG   GLN  46          3HG   GLN  46   3.473  -0.993  11.314
  398   1HE2  GLN  46          2HE2  GLN  46   3.626  -2.193  13.311
  399   2HE2  GLN  46          1HE2  GLN  46   3.318  -1.382  14.837
  400    QB   GLN  46           QB   GLN  46   5.731  -0.703  11.206
  401    QG   GLN  46           QG   GLN  46   3.496  -0.112  11.341
  402    QE2  GLN  46           QE2  GLN  46   3.472  -1.788  14.074
  
  Start of MODEL            4
 Raw file had 402 H/Q atoms
    1   1H    GLY   1          2HN   GLY   1  -7.777   2.422   6.353
    2   2H    GLY   1          3HN   GLY   1  -7.882   1.086   7.326
    3   3H    GLY   1          1HN   GLY   1  -7.847   2.599   7.998
    4   1HA   GLY   1          1HA   GLY   1  -5.709   1.797   8.342
    5   2HA   GLY   1          2HA   GLY   1  -5.670   1.140   6.689
    6    QA   GLY   1           QA   GLY   1  -5.690   1.469   7.516
    7    H    ALA   2           HN   ALA   2  -3.618   2.889   7.502
    8    HA   ALA   2           HA   ALA   2  -4.270   5.552   6.374
    9   1HB   ALA   2          3HB   ALA   2  -2.951   5.402   8.464
   10   2HB   ALA   2          1HB   ALA   2  -1.709   4.459   7.607
   11   3HB   ALA   2          2HB   ALA   2  -2.023   6.147   7.153
   12    QB   ALA   2           QB   ALA   2  -2.228   5.336   7.741
   13    H    ALA   3           HN   ALA   3  -2.260   6.358   5.001
   14    HA   ALA   3           HA   ALA   3  -2.256   4.874   2.579
   15   1HB   ALA   3          3HB   ALA   3  -0.673   7.299   3.399
   16   2HB   ALA   3          1HB   ALA   3  -0.697   6.592   1.769
   17   3HB   ALA   3          2HB   ALA   3  -2.184   7.242   2.481
   18    QB   ALA   3           QB   ALA   3  -1.185   7.044   2.550
   19    H    CYS   4           HN   CYS   4  -0.416   3.707   1.645
   20    HA   CYS   4           HA   CYS   4   2.113   3.482   3.207
   21   2HB   CYS   4          2HB   CYS   4   2.262   1.251   3.112
   22   3HB   CYS   4          3HB   CYS   4   0.548   1.407   3.440
   23    QB   CYS   4           QB   CYS   4   1.405   1.329   3.276
   24    H    LEU   5           HN   LEU   5   3.834   2.605   1.942
   25    HA   LEU   5           HA   LEU   5   4.304   3.839  -0.556
   26   2HB   LEU   5          2HB   LEU   5   5.881   1.568   0.659
   27   3HB   LEU   5          3HB   LEU   5   6.407   2.754  -0.528
   28    HG   LEU   5           HG   LEU   5   5.470   4.242   1.766
   29   1HD1  LEU   5          1HD1  LEU   5   5.770   2.071   3.011
   30   2HD1  LEU   5          2HD1  LEU   5   7.469   2.063   2.488
   31   3HD1  LEU   5          3HD1  LEU   5   6.870   3.350   3.553
   32   1HD2  LEU   5          2HD2  LEU   5   8.280   3.687   0.742
   33   2HD2  LEU   5          3HD2  LEU   5   7.185   4.989   0.217
   34   3HD2  LEU   5          1HD2  LEU   5   7.808   4.968   1.881
   35    QB   LEU   5           QB   LEU   5   6.144   2.161   0.065
   36    QD1  LEU   5           QD1  LEU   5   6.703   2.495   3.017
   37    QD2  LEU   5           QD2  LEU   5   7.758   4.548   0.947
   38    QQD  LEU   5           QQD  LEU   5   7.230   3.521   1.982
   39    H    CYS   6           HN   CYS   6   3.603   3.127  -2.474
   40    HA   CYS   6           HA   CYS   6   2.486   0.410  -2.918
   41   2HB   CYS   6          2HB   CYS   6   1.940   3.195  -3.806
   42   3HB   CYS   6          3HB   CYS   6   1.969   2.049  -5.133
   43    QB   CYS   6           QB   CYS   6   1.954   2.622  -4.470
   44    H    LYS   7           HN   LYS   7   2.845  -0.489  -5.256
   45    HA   LYS   7           HA   LYS   7   5.658  -0.876  -5.407
   46   2HB   LYS   7          2HB   LYS   7   4.227  -2.707  -5.807
   47   3HB   LYS   7          3HB   LYS   7   3.448  -1.946  -7.202
   48   1HG   LYS   7          2HG   LYS   7   5.323  -2.307  -8.620
   49   2HG   LYS   7          3HG   LYS   7   6.429  -2.315  -7.234
   50   1HD   LYS   7          2HD   LYS   7   5.384  -4.550  -6.504
   51   2HD   LYS   7          3HD   LYS   7   4.695  -4.603  -8.118
   52   2HE   LYS   7          2HE   LYS   7   6.683  -5.701  -8.555
   53   3HE   LYS   7          3HE   LYS   7   7.237  -4.050  -8.848
   54   1HZ   LYS   7          1HZ   LYS   7   7.988  -4.072  -6.513
   55   2HZ   LYS   7          2HZ   LYS   7   7.609  -5.658  -6.423
   56   3HZ   LYS   7          3HZ   LYS   7   8.760  -5.151  -7.464
   57    QB   LYS   7           QB   LYS   7   3.838  -2.326  -6.504
   58    QG   LYS   7           QG   LYS   7   5.876  -2.311  -7.927
   59    QD   LYS   7           QD   LYS   7   5.040  -4.576  -7.311
   60    QE   LYS   7           QE   LYS   7   6.960  -4.876  -8.701
   61    QZ   LYS   7           QZ   LYS   7   8.406  -4.618  -6.955
   62    H    SER   8           HN   SER   8   3.962   1.642  -6.643
   63    HA   SER   8           HA   SER   8   5.372   2.400  -8.969
   64   2HB   SER   8          2HB   SER   8   3.410   3.523  -7.753
   65   3HB   SER   8          3HB   SER   8   4.603   4.177  -6.612
   66    HG   SER   8           HG   SER   8   4.138   5.602  -8.356
   67    QB   SER   8           QB   SER   8   4.006   3.850  -7.182
   68    H    ASP   9           HN   ASP   9   6.318   2.291  -5.488
   69    HA   ASP   9           HA   ASP   9   8.838   3.706  -6.084
   70   2HB   ASP   9          2HB   ASP   9   7.071   3.769  -3.963
   71   3HB   ASP   9          3HB   ASP   9   8.275   2.676  -3.331
   72    QB   ASP   9           QB   ASP   9   7.673   3.223  -3.647
   73    H    GLY  10           HN   GLY  10  10.569   2.766  -4.316
   74   1HA   GLY  10          1HA   GLY  10  10.946  -0.155  -4.738
   75   2HA   GLY  10          2HA   GLY  10  12.220   0.936  -5.270
   76    QA   GLY  10           QA   GLY  10  11.583   0.391  -5.004
   77    HA   PRO  11           HA   PRO  11  13.657   0.793  -1.063
   78   2HB   PRO  11          2HB   PRO  11  15.030   3.139  -0.738
   79   3HB   PRO  11          3HB   PRO  11  15.563   1.855  -1.860
   80   1HG   PRO  11          2HG   PRO  11  13.992   4.358  -2.522
   81   2HG   PRO  11          3HG   PRO  11  15.430   3.706  -3.363
   82   1HD   PRO  11          2HD   PRO  11  12.859   3.262  -4.226
   83   2HD   PRO  11          3HD   PRO  11  14.153   2.046  -4.437
   84    QB   PRO  11           QB   PRO  11  15.297   2.497  -1.299
   85    QG   PRO  11           QG   PRO  11  14.711   4.032  -2.943
   86    QD   PRO  11           QD   PRO  11  13.506   2.654  -4.332
   87    H    ASN  12           HN   ASN  12  13.405   1.780   1.123
   88    HA   ASN  12           HA   ASN  12  10.741   2.814   1.487
   89   2HB   ASN  12          2HB   ASN  12  11.659   1.352   3.159
   90   3HB   ASN  12          3HB   ASN  12  13.061   2.408   3.400
   91   1HD2  ASN  12          2HD2  ASN  12   9.463   3.933   4.758
   92   2HD2  ASN  12          1HD2  ASN  12   9.469   3.067   3.236
   93    QB   ASN  12           QB   ASN  12  12.360   1.880   3.280
   94    QD2  ASN  12           QD2  ASN  12   9.466   3.500   3.997
   95    H    THR  13           HN   THR  13  10.825   4.747   0.167
   96    HA   THR  13           HA   THR  13  12.448   6.981   0.975
   97    HB   THR  13           HB   THR  13  11.438   6.593  -1.284
   98    HG1  THR  13           HG1  THR  13  11.302   8.752  -1.621
   99   1HG2  THR  13          2HG2  THR  13   9.111   6.062  -0.455
  100   2HG2  THR  13          1HG2  THR  13   8.916   7.783  -0.062
  101   3HG2  THR  13          3HG2  THR  13   9.182   7.260  -1.748
  102    QG2  THR  13           QG2  THR  13   9.070   7.035  -0.755
  103    NH1  ARG  14           NH1  ARG  14   7.992  12.336   7.602
  104    NH2  ARG  14           NH2  ARG  14   8.270  10.583   9.097
  105    H    ARG  14           HN   ARG  14  11.672   9.031   1.896
  106    HA   ARG  14           HA   ARG  14  10.220   8.522   4.330
  107   2HB   ARG  14          2HB   ARG  14  12.344  10.009   3.750
  108   3HB   ARG  14          3HB   ARG  14  11.168  11.296   3.525
  109   1HG   ARG  14          2HG   ARG  14  11.317   9.498   5.979
  110   2HG   ARG  14          3HG   ARG  14  12.322  10.935   5.810
  111   1HD   ARG  14          2HD   ARG  14  10.587  12.430   6.092
  112   2HD   ARG  14          3HD   ARG  14   9.364  11.313   5.466
  113    HE   ARG  14           HE   ARG  14  10.478  10.309   7.908
  114   1HH1  ARG  14          1HH1  ARG  14   7.129  12.580   8.045
  115   2HH1  ARG  14          2HH1  ARG  14   8.319  12.863   6.818
  116   1HH2  ARG  14          1HH2  ARG  14   7.408  10.823   9.543
  117   2HH2  ARG  14          2HH2  ARG  14   8.804   9.804   9.426
  118    QB   ARG  14           QB   ARG  14  11.756  10.653   3.638
  119    QG   ARG  14           QG   ARG  14  11.819  10.217   5.894
  120    QD   ARG  14           QD   ARG  14   9.976  11.872   5.779
  121    QH1  ARG  14           QH1  ARG  14   7.724  12.722   7.431
  122    QH2  ARG  14           QH2  ARG  14   8.106  10.314   9.485
  123    H    GLY  15           HN   GLY  15   8.288   7.907   2.899
  124   1HA   GLY  15          1HA   GLY  15   6.043   8.297   2.550
  125   2HA   GLY  15          2HA   GLY  15   6.218   9.747   3.553
  126    QA   GLY  15           QA   GLY  15   6.131   9.022   3.052
  127    H    ASN  16           HN   ASN  16   7.086   8.585   0.288
  128    HA   ASN  16           HA   ASN  16   6.264  11.230  -0.871
  129   2HB   ASN  16          2HB   ASN  16   8.729  10.925  -0.803
  130   3HB   ASN  16          3HB   ASN  16   8.569   9.481  -1.807
  131   1HD2  ASN  16          2HD2  ASN  16   8.521  11.401  -4.767
  132   2HD2  ASN  16          1HD2  ASN  16   8.806   9.841  -4.019
  133    QB   ASN  16           QB   ASN  16   8.649  10.203  -1.305
  134    QD2  ASN  16           QD2  ASN  16   8.663  10.621  -4.393
  135    H    SER  17           HN   SER  17   6.904   7.791  -1.787
  136    HA   SER  17           HA   SER  17   4.669   7.955  -3.754
  137   2HB   SER  17          2HB   SER  17   7.085   7.233  -4.329
  138   3HB   SER  17          3HB   SER  17   6.675   5.767  -3.436
  139    HG   SER  17           HG   SER  17   6.336   5.761  -5.773
  140    QB   SER  17           QB   SER  17   6.880   6.500  -3.882
  141    H    MET  18           HN   MET  18   4.203   7.809  -0.872
  142    HA   MET  18           HA   MET  18   2.827   5.249  -0.663
  143   2HB   MET  18          2HB   MET  18   2.352   5.672   1.609
  144   3HB   MET  18          3HB   MET  18   4.006   6.256   1.389
  145   1HG   MET  18          2HG   MET  18   2.860   8.518   1.005
  146   2HG   MET  18          3HG   MET  18   1.393   7.785   1.691
  147   1HE   MET  18          1HE   MET  18   2.256   6.036   3.947
  148   2HE   MET  18          2HE   MET  18   2.713   7.012   5.359
  149   3HE   MET  18          3HE   MET  18   1.220   7.385   4.488
  150    QB   MET  18           QB   MET  18   3.179   5.964   1.499
  151    QG   MET  18           QG   MET  18   2.126   8.151   1.348
  152    QE   MET  18           QE   MET  18   2.063   6.811   4.598
  153    H    SER  19           HN   SER  19   0.819   4.984  -1.193
  154    HA   SER  19           HA   SER  19  -1.177   7.037  -0.889
  155   2HB   SER  19          2HB   SER  19  -1.867   7.153  -3.332
  156   3HB   SER  19          3HB   SER  19  -0.397   8.029  -2.912
  157    HG   SER  19           HG   SER  19   0.825   6.327  -3.731
  158    QB   SER  19           QB   SER  19  -1.132   7.591  -3.122
  159    H    GLY  20           HN   GLY  20  -0.405   3.902  -0.646
  160   1HA   GLY  20          1HA   GLY  20  -2.961   2.821  -1.711
  161   2HA   GLY  20          2HA   GLY  20  -1.598   1.930  -1.037
  162    QA   GLY  20           QA   GLY  20  -2.280   2.375  -1.374
  163    H    THR  21           HN   THR  21  -4.658   2.326  -0.296
  164    HA   THR  21           HA   THR  21  -4.447   2.997   2.553
  165    HB   THR  21           HB   THR  21  -6.645   1.575   1.071
  166    HG1  THR  21           HG1  THR  21  -6.123   4.351   1.498
  167   1HG2  THR  21          1HG2  THR  21  -6.912   1.454   3.488
  168   2HG2  THR  21          3HG2  THR  21  -6.754   3.229   3.609
  169   3HG2  THR  21          2HG2  THR  21  -8.135   2.505   2.758
  170    QG2  THR  21           QG2  THR  21  -7.267   2.396   3.285
  171    H    ILE  22           HN   ILE  22  -3.613   1.612   3.968
  172    HA   ILE  22           HA   ILE  22  -2.910  -1.131   3.473
  173    HB   ILE  22           HB   ILE  22  -3.072   0.654   5.856
  174   2HG1  ILE  22          2HG1  ILE  22  -0.726  -0.955   4.789
  175   3HG1  ILE  22          3HG1  ILE  22  -1.233   0.612   4.135
  176   1HG2  ILE  22          1HG2  ILE  22  -2.444  -2.328   6.013
  177   2HG2  ILE  22          2HG2  ILE  22  -2.109  -1.168   7.308
  178   3HG2  ILE  22          3HG2  ILE  22  -3.767  -1.480   6.847
  179   1HD1  ILE  22          2HD1  ILE  22  -0.872   1.703   6.300
  180   2HD1  ILE  22          3HD1  ILE  22  -0.379   0.159   7.033
  181   3HD1  ILE  22          1HD1  ILE  22   0.607   0.886   5.764
  182    QG1  ILE  22           QG1  ILE  22  -0.979  -0.171   4.462
  183    QG2  ILE  22           QG2  ILE  22  -2.773  -1.659   6.723
  184    QD1  ILE  22           QD1  ILE  22  -0.215   0.916   6.366
  185    CH2  TRP  23           CH2  TRP  23 -11.391  -1.234   2.742
  186    H    TRP  23           HN   TRP  23  -3.900  -3.032   3.990
  187    HA   TRP  23           HA   TRP  23  -6.596  -3.071   5.279
  188   2HB   TRP  23          2HB   TRP  23  -5.766  -4.002   2.581
  189   3HB   TRP  23          3HB   TRP  23  -7.237  -4.608   3.405
  190    HD1  TRP  23           HD1  TRP  23  -5.969  -2.025   1.168
  191    HE1  TRP  23           HE1  TRP  23  -7.845  -0.370   0.479
  192    HE3  TRP  23           HE3  TRP  23  -9.541  -3.685   4.252
  193    HZ2  TRP  23           HZ2  TRP  23 -10.635   0.070   1.199
  194    HZ3  TRP  23           HZ3  TRP  23 -11.857  -2.713   4.245
  195    HH2  TRP  23           HH2  TRP  23 -12.392  -0.827   2.716
  196    QB   TRP  23           QB   TRP  23  -6.502  -4.305   2.993
  197    H    VAL  24           HN   VAL  24  -7.083  -5.323   5.786
  198    HA   VAL  24           HA   VAL  24  -4.626  -6.877   6.450
  199    HB   VAL  24           HB   VAL  24  -7.419  -6.914   7.651
  200   1HG1  VAL  24          1HG1  VAL  24  -4.780  -8.131   8.589
  201   2HG1  VAL  24          2HG1  VAL  24  -6.281  -8.072   9.534
  202   3HG1  VAL  24          3HG1  VAL  24  -6.216  -9.031   8.048
  203   1HG2  VAL  24          2HG2  VAL  24  -4.838  -5.536   8.535
  204   2HG2  VAL  24          3HG2  VAL  24  -6.348  -4.731   8.068
  205   3HG2  VAL  24          1HG2  VAL  24  -6.289  -5.693   9.542
  206    QG1  VAL  24           QG1  VAL  24  -5.759  -8.411   8.724
  207    QG2  VAL  24           QG2  VAL  24  -5.825  -5.320   8.715
  208    QQG  VAL  24           QQG  VAL  24  -5.792  -6.866   8.719
  209    H    PHE  25           HN   PHE  25  -7.778  -7.102   4.800
  210    HA   PHE  25           HA   PHE  25  -7.545  -9.983   4.478
  211   2HB   PHE  25          2HB   PHE  25  -9.666  -7.963   3.569
  212   3HB   PHE  25          3HB   PHE  25  -9.809  -9.715   3.419
  213    HD1  PHE  25           HD1  PHE  25 -12.033  -8.478   4.395
  214    HD2  PHE  25           HD2  PHE  25  -8.460  -9.455   6.626
  215    HE1  PHE  25           HE1  PHE  25 -13.359  -8.607   6.476
  216    HE2  PHE  25           HE2  PHE  25  -9.793  -9.524   8.702
  217    HZ   PHE  25           HZ   PHE  25 -12.246  -9.131   8.635
  218    QB   PHE  25           QB   PHE  25  -9.738  -8.839   3.494
  219    QB   PHE  25           QB   PHE  25  -9.738  -8.839   3.494
  220    H    GLY  26           HN   GLY  26  -8.732  -7.852   1.877
  221   1HA   GLY  26          1HA   GLY  26  -6.642  -8.607   0.015
  222   2HA   GLY  26          2HA   GLY  26  -8.175  -9.483  -0.210
  223    QA   GLY  26           QA   GLY  26  -7.409  -9.045  -0.097
  224    H    CYS  27           HN   CYS  27  -6.888  -7.328  -1.894
  225    HA   CYS  27           HA   CYS  27  -7.896  -4.762  -1.330
  226   2HB   CYS  27          2HB   CYS  27  -5.968  -5.299  -2.782
  227   3HB   CYS  27          3HB   CYS  27  -7.070  -5.873  -4.021
  228    QB   CYS  27           QB   CYS  27  -6.519  -5.586  -3.401
  229    HA   PRO  28           HA   PRO  28 -11.986  -6.087  -2.414
  230   2HB   PRO  28          2HB   PRO  28 -13.477  -3.794  -1.808
  231   3HB   PRO  28          3HB   PRO  28 -12.951  -5.060  -0.670
  232   1HG   PRO  28          2HG   PRO  28 -11.872  -2.321  -0.991
  233   2HG   PRO  28          3HG   PRO  28 -11.757  -3.426   0.401
  234   1HD   PRO  28          2HD   PRO  28  -9.812  -2.845  -1.578
  235   2HD   PRO  28          3HD   PRO  28  -9.671  -4.046  -0.266
  236    QB   PRO  28           QB   PRO  28 -13.214  -4.427  -1.239
  237    QG   PRO  28           QG   PRO  28 -11.814  -2.874  -0.295
  238    QD   PRO  28           QD   PRO  28  -9.741  -3.445  -0.922
  239    H    SER  29           HN   SER  29 -13.825  -5.616  -3.877
  240    HA   SER  29           HA   SER  29 -12.849  -5.097  -6.454
  241   2HB   SER  29          2HB   SER  29 -14.944  -6.420  -5.799
  242   3HB   SER  29          3HB   SER  29 -15.773  -4.854  -5.655
  243    HG   SER  29           HG   SER  29 -14.564  -6.020  -7.951
  244    QB   SER  29           QB   SER  29 -15.358  -5.637  -5.727
  245    H    GLY  30           HN   GLY  30 -12.935  -3.320  -7.834
  246   1HA   GLY  30          1HA   GLY  30 -13.336  -1.098  -8.462
  247   2HA   GLY  30          2HA   GLY  30 -13.927  -0.702  -6.848
  248    QA   GLY  30           QA   GLY  30 -13.632  -0.900  -7.655
  249    CH2  TRP  31           CH2  TRP  31  -9.110   2.413  -0.347
  250    H    TRP  31           HN   TRP  31 -11.301  -2.283  -5.849
  251    HA   TRP  31           HA   TRP  31  -9.508   0.100  -5.996
  252   2HB   TRP  31          2HB   TRP  31  -9.555  -2.235  -4.140
  253   3HB   TRP  31          3HB   TRP  31  -8.397  -0.896  -4.261
  254    HD1  TRP  31           HD1  TRP  31 -12.265  -0.779  -3.857
  255    HE1  TRP  31           HE1  TRP  31 -12.772   0.825  -1.949
  256    HE3  TRP  31           HE3  TRP  31  -7.489   0.476  -2.646
  257    HZ2  TRP  31           HZ2  TRP  31 -11.228   2.465  -0.033
  258    HZ3  TRP  31           HZ3  TRP  31  -7.045   2.201  -0.965
  259    HH2  TRP  31           HH2  TRP  31  -8.917   3.148   0.418
  260    QB   TRP  31           QB   TRP  31  -8.976  -1.566  -4.201
  261    H    ASN  32           HN   ASN  32  -7.078  -0.629  -5.879
  262    HA   ASN  32           HA   ASN  32  -6.487  -2.767  -7.901
  263   2HB   ASN  32          2HB   ASN  32  -6.202  -0.641  -8.983
  264   3HB   ASN  32          3HB   ASN  32  -5.369   0.043  -7.581
  265   1HD2  ASN  32          1HD2  ASN  32  -3.162  -0.559  -7.147
  266   2HD2  ASN  32          2HD2  ASN  32  -2.221  -1.445  -8.321
  267    QB   ASN  32           QB   ASN  32  -5.786  -0.299  -8.282
  268    QD2  ASN  32           QD2  ASN  32  -2.691  -1.002  -7.734
  269    H    ASN  33           HN   ASN  33  -5.189  -4.327  -7.016
  270    HA   ASN  33           HA   ASN  33  -4.284  -4.284  -4.350
  271   2HB   ASN  33          2HB   ASN  33  -4.667  -6.344  -5.603
  272   3HB   ASN  33          3HB   ASN  33  -3.375  -5.927  -6.741
  273   1HD2  ASN  33          1HD2  ASN  33  -3.824  -6.278  -3.135
  274   2HD2  ASN  33          2HD2  ASN  33  -2.286  -7.100  -2.930
  275    QB   ASN  33           QB   ASN  33  -4.021  -6.135  -6.172
  276    QD2  ASN  33           QD2  ASN  33  -3.055  -6.689  -3.033
  277    H    CYS  34           HN   CYS  34  -2.318  -3.797  -3.283
  278    HA   CYS  34           HA   CYS  34  -0.051  -2.883  -4.962
  279   2HB   CYS  34          2HB   CYS  34  -1.829  -1.065  -3.785
  280   3HB   CYS  34          3HB   CYS  34  -0.497  -1.131  -2.640
  281    QB   CYS  34           QB   CYS  34  -1.163  -1.098  -3.213
  282    H    GLU  35           HN   GLU  35   1.200  -4.638  -4.446
  283    HA   GLU  35           HA   GLU  35   1.558  -5.519  -1.721
  284   2HB   GLU  35          2HB   GLU  35   3.090  -7.120  -2.717
  285   3HB   GLU  35          3HB   GLU  35   1.561  -7.017  -3.588
  286   1HG   GLU  35          2HG   GLU  35   2.881  -5.363  -5.200
  287   2HG   GLU  35          3HG   GLU  35   4.303  -6.115  -4.466
  288    QB   GLU  35           QB   GLU  35   2.326  -7.069  -3.152
  289    QG   GLU  35           QG   GLU  35   3.592  -5.739  -4.833
  290    H    GLY  36           HN   GLY  36   2.070  -3.264  -0.912
  291   1HA   GLY  36          1HA   GLY  36   4.560  -1.990  -1.506
  292   2HA   GLY  36          2HA   GLY  36   3.565  -1.778  -0.049
  293    QA   GLY  36           QA   GLY  36   4.063  -1.884  -0.778
  294    NH1  ARG  37           NH1  ARG  37   9.470  -7.715   2.747
  295    NH2  ARG  37           NH2  ARG  37  11.687  -8.347   2.505
  296    H    ARG  37           HN   ARG  37   6.656  -2.474  -0.810
  297    HA   ARG  37           HA   ARG  37   7.011  -4.693   1.123
  298   2HB   ARG  37          2HB   ARG  37   8.190  -4.469  -1.150
  299   3HB   ARG  37          3HB   ARG  37   9.234  -3.284  -0.373
  300   1HG   ARG  37          2HG   ARG  37   8.791  -6.211   0.392
  301   2HG   ARG  37          3HG   ARG  37  10.213  -5.516  -0.388
  302   1HD   ARG  37          2HD   ARG  37  10.662  -4.155   1.657
  303   2HD   ARG  37          3HD   ARG  37   9.360  -4.980   2.506
  304    HE   ARG  37           HE   ARG  37  12.024  -5.938   1.877
  305   1HH1  ARG  37          2HH1  ARG  37   8.756  -7.017   2.683
  306   2HH1  ARG  37          1HH1  ARG  37   9.239  -8.641   3.047
  307   1HH2  ARG  37          1HH2  ARG  37  11.456  -9.273   2.805
  308   2HH2  ARG  37          2HH2  ARG  37  12.630  -8.121   2.260
  309    QB   ARG  37           QB   ARG  37   8.712  -3.876  -0.762
  310    QG   ARG  37           QG   ARG  37   9.502  -5.864   0.002
  311    QD   ARG  37           QD   ARG  37  10.011  -4.568   2.082
  312    QH1  ARG  37           QH1  ARG  37   8.998  -7.829   2.865
  313    QH2  ARG  37           QH2  ARG  37  12.043  -8.697   2.533
  314    H    ALA  38           HN   ALA  38   6.019  -3.084   2.755
  315    HA   ALA  38           HA   ALA  38   8.051  -2.610   4.665
  316   1HB   ALA  38          2HB   ALA  38   7.075  -0.076   3.300
  317   2HB   ALA  38          3HB   ALA  38   7.873  -0.081   4.886
  318   3HB   ALA  38          1HB   ALA  38   8.764  -0.599   3.475
  319    QB   ALA  38           QB   ALA  38   7.904  -0.252   3.887
  320    H    ILE  39           HN   ILE  39   5.615  -3.990   4.708
  321    HA   ILE  39           HA   ILE  39   4.082  -2.661   6.784
  322    HB   ILE  39           HB   ILE  39   1.934  -2.852   5.544
  323   2HG1  ILE  39          2HG1  ILE  39   3.756  -3.663   3.267
  324   3HG1  ILE  39          3HG1  ILE  39   2.321  -4.480   3.884
  325   1HG2  ILE  39          1HG2  ILE  39   3.185  -0.677   5.666
  326   2HG2  ILE  39          2HG2  ILE  39   3.764  -0.988   4.010
  327   3HG2  ILE  39          3HG2  ILE  39   2.032  -0.824   4.346
  328   1HD1  ILE  39          3HD1  ILE  39   0.968  -2.514   3.066
  329   2HD1  ILE  39          1HD1  ILE  39   2.442  -1.892   2.276
  330   3HD1  ILE  39          2HD1  ILE  39   1.778  -3.450   1.778
  331    QG1  ILE  39           QG1  ILE  39   3.039  -4.071   3.576
  332    QG2  ILE  39           QG2  ILE  39   2.994  -0.830   4.674
  333    QD1  ILE  39           QD1  ILE  39   1.729  -2.619   2.373
  334    H    ILE  40           HN   ILE  40   2.163  -4.215   7.309
  335    HA   ILE  40           HA   ILE  40   3.421  -6.840   7.705
  336    HB   ILE  40           HB   ILE  40   0.892  -5.624   8.911
  337   2HG1  ILE  40          2HG1  ILE  40   2.378  -5.684  11.009
  338   3HG1  ILE  40          3HG1  ILE  40   3.763  -5.796   9.921
  339   1HG2  ILE  40          1HG2  ILE  40   2.442  -8.145   9.629
  340   2HG2  ILE  40          2HG2  ILE  40   1.064  -7.480  10.529
  341   3HG2  ILE  40          3HG2  ILE  40   0.824  -8.100   8.902
  342   1HD1  ILE  40          3HD1  ILE  40   1.674  -3.558   9.845
  343   2HD1  ILE  40          1HD1  ILE  40   3.162  -3.492  10.805
  344   3HD1  ILE  40          2HD1  ILE  40   3.268  -3.555   9.050
  345    QG1  ILE  40           QG1  ILE  40   3.070  -5.740  10.465
  346    QG2  ILE  40           QG2  ILE  40   1.443  -7.908   9.687
  347    QD1  ILE  40           QD1  ILE  40   2.701  -3.535   9.900
  348    H    GLY  41           HN   GLY  41   0.064  -5.792   6.911
  349   1HA   GLY  41          1HA   GLY  41  -0.580  -8.462   5.944
  350   2HA   GLY  41          2HA   GLY  41  -1.663  -7.069   6.061
  351    QA   GLY  41           QA   GLY  41  -1.122  -7.766   6.003
  352    OH   TYR  42           OH   TYR  42  -7.113  -5.194   0.882
  353    H    TYR  42           HN   TYR  42  -2.044  -5.781   4.202
  354    HA   TYR  42           HA   TYR  42  -0.171  -5.851   2.008
  355   2HB   TYR  42          2HB   TYR  42  -1.341  -7.024   0.430
  356   3HB   TYR  42          3HB   TYR  42  -1.664  -8.017   1.833
  357    HD1  TYR  42           HD1  TYR  42  -3.944  -7.564   3.111
  358    HD2  TYR  42           HD2  TYR  42  -3.002  -5.986  -0.784
  359    HE1  TYR  42           HE1  TYR  42  -6.223  -6.633   2.903
  360    HE2  TYR  42           HE2  TYR  42  -5.213  -4.958  -0.885
  361    HH   TYR  42           HH   TYR  42  -7.767  -5.501   1.513
  362    QB   TYR  42           QB   TYR  42  -1.503  -7.521   1.132
  363    QB   TYR  42           QB   TYR  42  -1.503  -7.521   1.132
  364    H    CYS  43           HN   CYS  43  -1.057  -4.342   0.205
  365    HA   CYS  43           HA   CYS  43  -2.637  -2.137   1.502
  366   2HB   CYS  43          2HB   CYS  43   0.019  -2.067   1.143
  367   3HB   CYS  43          3HB   CYS  43  -0.468  -1.504  -0.435
  368    QB   CYS  43           QB   CYS  43  -0.225  -1.786   0.354
  369    H    CYS  44           HN   CYS  44  -3.714  -0.770  -0.071
  370    HA   CYS  44           HA   CYS  44  -4.308  -2.064  -2.693
  371   2HB   CYS  44          2HB   CYS  44  -5.705  -2.871  -0.793
  372   3HB   CYS  44          3HB   CYS  44  -6.216  -1.156  -0.666
  373    QB   CYS  44           QB   CYS  44  -5.960  -2.013  -0.729
  374    H    LYS  45           HN   LYS  45  -4.380  -0.445  -4.232
  375    HA   LYS  45           HA   LYS  45  -4.237   2.400  -3.400
  376   2HB   LYS  45          2HB   LYS  45  -2.476   1.217  -4.902
  377   3HB   LYS  45          3HB   LYS  45  -3.764   1.168  -6.112
  378   1HG   LYS  45          2HG   LYS  45  -3.921   3.731  -5.747
  379   2HG   LYS  45          3HG   LYS  45  -2.398   3.603  -4.869
  380   1HD   LYS  45          2HD   LYS  45  -1.170   3.086  -6.755
  381   2HD   LYS  45          3HD   LYS  45  -2.482   2.239  -7.566
  382   2HE   LYS  45          2HE   LYS  45  -2.360   5.270  -7.230
  383   3HE   LYS  45          3HE   LYS  45  -1.853   4.383  -8.674
  384   1HZ   LYS  45          1HZ   LYS  45  -4.571   4.302  -7.603
  385   2HZ   LYS  45          2HZ   LYS  45  -4.084   5.220  -8.863
  386   3HZ   LYS  45          3HZ   LYS  45  -4.040   3.591  -8.974
  387    QB   LYS  45           QB   LYS  45  -3.120   1.192  -5.507
  388    QG   LYS  45           QG   LYS  45  -3.159   3.667  -5.308
  389    QD   LYS  45           QD   LYS  45  -1.826   2.662  -7.161
  390    QE   LYS  45           QE   LYS  45  -2.106   4.826  -7.952
  391    QZ   LYS  45           QZ   LYS  45  -4.349   3.947  -8.306
  392    H    GLN  46           HN   GLN  46  -5.731   3.857  -4.267
  393    HA   GLN  46           HA   GLN  46  -8.308   2.751  -5.180
  394   2HB   GLN  46          2HB   GLN  46  -7.353   5.589  -4.726
  395   3HB   GLN  46          3HB   GLN  46  -9.037   5.112  -4.984
  396   1HG   GLN  46          2HG   GLN  46  -9.326   4.346  -2.849
  397   2HG   GLN  46          3HG   GLN  46  -7.714   3.661  -2.771
  398   1HE2  GLN  46          1HE2  GLN  46  -6.761   6.252  -0.573
  399   2HE2  GLN  46          2HE2  GLN  46  -7.016   4.526  -0.689
  400    QB   GLN  46           QB   GLN  46  -8.195   5.351  -4.855
  401    QG   GLN  46           QG   GLN  46  -8.520   4.003  -2.810
  402    QE2  GLN  46           QE2  GLN  46  -6.889   5.389  -0.631
  
  Start of MODEL            5
 Raw file had 402 H/Q atoms
    1   1H    GLY   1          1HN   GLY   1  -0.410   0.971   0.500
    2   2H    GLY   1          2HN   GLY   1  -0.361   0.086  -0.898
    3   3H    GLY   1          3HN   GLY   1  -0.523  -0.679   0.561
    4   1HA   GLY   1          1HA   GLY   1   1.610   0.121   1.234
    5   2HA   GLY   1          2HA   GLY   1   1.730  -0.949  -0.188
    6    QA   GLY   1           QA   GLY   1   1.670  -0.414   0.523
    7    H    ALA   2           HN   ALA   2   3.825   0.207  -0.660
    8    HA   ALA   2           HA   ALA   2   3.224   2.710  -2.129
    9   1HB   ALA   2          3HB   ALA   2   4.735   3.141  -0.131
   10   2HB   ALA   2          1HB   ALA   2   5.896   1.991  -0.838
   11   3HB   ALA   2          2HB   ALA   2   5.504   3.502  -1.690
   12    QB   ALA   2           QB   ALA   2   5.378   2.878  -0.886
   13    H    ALA   3           HN   ALA   3   3.366  -0.250  -2.676
   14    HA   ALA   3           HA   ALA   3   4.017  -0.001  -5.361
   15   1HB   ALA   3          1HB   ALA   3   6.180  -1.429  -3.737
   16   2HB   ALA   3          2HB   ALA   3   6.027  -1.566  -5.497
   17   3HB   ALA   3          3HB   ALA   3   6.388   0.004  -4.772
   18    QB   ALA   3           QB   ALA   3   6.198  -0.997  -4.669
   19    H    CYS   4           HN   CYS   4   3.891  -1.993  -6.592
   20    HA   CYS   4           HA   CYS   4   3.012  -4.462  -5.476
   21   2HB   CYS   4          2HB   CYS   4   0.762  -4.401  -6.774
   22   3HB   CYS   4          3HB   CYS   4   0.890  -3.796  -5.145
   23    QB   CYS   4           QB   CYS   4   0.826  -4.098  -5.959
   24    H    LEU   5           HN   LEU   5   2.318  -5.971  -7.008
   25    HA   LEU   5           HA   LEU   5   3.878  -6.058  -9.327
   26   2HB   LEU   5          2HB   LEU   5   2.027  -7.918  -7.982
   27   3HB   LEU   5          3HB   LEU   5   2.484  -8.272  -9.653
   28    HG   LEU   5           HG   LEU   5   4.600  -7.769  -7.530
   29   1HD1  LEU   5          2HD1  LEU   5   3.349 -10.440  -8.280
   30   2HD1  LEU   5          3HD1  LEU   5   4.779 -10.205  -7.254
   31   3HD1  LEU   5          1HD1  LEU   5   3.211  -9.608  -6.706
   32   1HD2  LEU   5          2HD2  LEU   5   4.561  -9.011 -10.317
   33   2HD2  LEU   5          3HD2  LEU   5   5.646  -7.774  -9.659
   34   3HD2  LEU   5          1HD2  LEU   5   5.819  -9.439  -9.152
   35    QB   LEU   5           QB   LEU   5   2.256  -8.095  -8.818
   36    QD1  LEU   5           QD1  LEU   5   3.780 -10.084  -7.413
   37    QD2  LEU   5           QD2  LEU   5   5.342  -8.741  -9.709
   38    QQD  LEU   5           QQD  LEU   5   4.561  -9.413  -8.561
   39    H    CYS   6           HN   CYS   6   2.890  -6.683 -11.583
   40    HA   CYS   6           HA   CYS   6   0.945  -4.669 -12.355
   41   2HB   CYS   6          2HB   CYS   6   2.691  -6.583 -13.719
   42   3HB   CYS   6          3HB   CYS   6   1.174  -6.369 -14.504
   43    QB   CYS   6           QB   CYS   6   1.933  -6.476 -14.111
   44    H    LYS   7           HN   LYS   7  -0.809  -5.430 -13.916
   45    HA   LYS   7           HA   LYS   7  -2.904  -6.679 -12.614
   46   2HB   LYS   7          2HB   LYS   7  -3.426  -5.362 -14.489
   47   3HB   LYS   7          3HB   LYS   7  -2.234  -6.135 -15.499
   48   1HG   LYS   7          2HG   LYS   7  -4.482  -6.752 -16.227
   49   2HG   LYS   7          3HG   LYS   7  -3.569  -8.155 -15.706
   50   1HD   LYS   7          2HD   LYS   7  -5.566  -8.614 -14.678
   51   2HD   LYS   7          3HD   LYS   7  -4.799  -7.718 -13.367
   52   2HE   LYS   7          2HE   LYS   7  -5.945  -5.608 -14.309
   53   3HE   LYS   7          3HE   LYS   7  -6.861  -6.699 -15.363
   54   1HZ   LYS   7          3HZ   LYS   7  -7.603  -7.816 -13.339
   55   2HZ   LYS   7          1HZ   LYS   7  -6.847  -6.688 -12.431
   56   3HZ   LYS   7          2HZ   LYS   7  -8.082  -6.256 -13.409
   57    QB   LYS   7           QB   LYS   7  -2.830  -5.748 -14.994
   58    QG   LYS   7           QG   LYS   7  -4.025  -7.453 -15.967
   59    QD   LYS   7           QD   LYS   7  -5.182  -8.166 -14.023
   60    QE   LYS   7           QE   LYS   7  -6.403  -6.154 -14.836
   61    QZ   LYS   7           QZ   LYS   7  -7.256  -7.259 -12.851
   62    H    SER   8           HN   SER   8  -0.517  -8.344 -14.774
   63    HA   SER   8           HA   SER   8  -0.573 -10.640 -13.119
   64   2HB   SER   8          2HB   SER   8  -2.836 -11.091 -14.105
   65   3HB   SER   8          3HB   SER   8  -2.109 -11.072 -15.720
   66    HG   SER   8           HG   SER   8  -0.865 -12.851 -15.086
   67    QB   SER   8           QB   SER   8  -2.473 -11.082 -14.913
   68    H    ASP   9           HN   ASP   9   1.680 -10.219 -13.369
   69    HA   ASP   9           HA   ASP   9   2.822 -11.225 -15.944
   70   2HB   ASP   9          2HB   ASP   9   3.209  -8.696 -15.184
   71   3HB   ASP   9          3HB   ASP   9   4.370  -9.445 -14.097
   72    QB   ASP   9           QB   ASP   9   3.789  -9.071 -14.641
   73    H    GLY  10           HN   GLY  10   5.271 -11.895 -15.278
   74   1HA   GLY  10          1HA   GLY  10   4.967 -14.336 -13.862
   75   2HA   GLY  10          2HA   GLY  10   6.490 -13.620 -14.410
   76    QA   GLY  10           QA   GLY  10   5.728 -13.978 -14.136
   77    HA   PRO  11           HA   PRO  11   5.457 -12.442  -9.798
   78   2HB   PRO  11          2HB   PRO  11   5.484 -14.655  -8.180
   79   3HB   PRO  11          3HB   PRO  11   4.053 -14.140  -9.109
   80   1HG   PRO  11          2HG   PRO  11   6.100 -16.230  -9.916
   81   2HG   PRO  11          3HG   PRO  11   4.316 -16.395  -9.883
   82   1HD   PRO  11          2HD   PRO  11   5.619 -15.780 -12.176
   83   2HD   PRO  11          3HD   PRO  11   4.056 -14.997 -11.778
   84    QB   PRO  11           QB   PRO  11   4.768 -14.398  -8.644
   85    QG   PRO  11           QG   PRO  11   5.208 -16.313  -9.899
   86    QD   PRO  11           QD   PRO  11   4.838 -15.389 -11.977
   87    H    ASN  12           HN   ASN  12   7.679 -11.693 -10.651
   88    HA   ASN  12           HA   ASN  12   9.906 -12.777  -9.025
   89   2HB   ASN  12          2HB   ASN  12   9.410 -13.923 -11.470
   90   3HB   ASN  12          3HB   ASN  12  10.284 -12.501 -12.020
   91   1HD2  ASN  12          2HD2  ASN  12  12.157 -15.405  -9.733
   92   2HD2  ASN  12          1HD2  ASN  12  10.424 -15.150  -9.596
   93    QB   ASN  12           QB   ASN  12   9.847 -13.212 -11.745
   94    QD2  ASN  12           QD2  ASN  12  11.290 -15.278  -9.665
   95    H    THR  13           HN   THR  13  11.937 -11.237  -9.377
   96    HA   THR  13           HA   THR  13  10.925  -8.496  -9.882
   97    HB   THR  13           HB   THR  13  13.183  -7.991  -8.749
   98    HG1  THR  13           HG1  THR  13  14.129  -9.764  -7.718
   99   1HG2  THR  13          2HG2  THR  13  10.879  -8.116  -7.588
  100   2HG2  THR  13          1HG2  THR  13  11.338  -9.755  -7.083
  101   3HG2  THR  13          3HG2  THR  13  12.294  -8.359  -6.546
  102    QG2  THR  13           QG2  THR  13  11.504  -8.743  -7.072
  103    NH1  ARG  14           NH1  ARG  14  10.242 -12.970 -18.323
  104    NH2  ARG  14           NH2  ARG  14  12.496 -12.683 -18.747
  105    H    ARG  14           HN   ARG  14  10.912  -9.437 -12.271
  106    HA   ARG  14           HA   ARG  14  13.524  -9.241 -13.528
  107   2HB   ARG  14          2HB   ARG  14  11.225 -10.553 -14.253
  108   3HB   ARG  14          3HB   ARG  14  11.075  -9.106 -15.247
  109   1HG   ARG  14          2HG   ARG  14  13.785  -9.855 -15.526
  110   2HG   ARG  14          3HG   ARG  14  12.946 -11.394 -15.377
  111   1HD   ARG  14          2HD   ARG  14  12.191  -9.190 -17.370
  112   2HD   ARG  14          3HD   ARG  14  13.349 -10.449 -17.727
  113    HE   ARG  14           HE   ARG  14  10.418 -10.777 -17.158
  114   1HH1  ARG  14          1HH1  ARG  14  10.261 -13.829 -18.834
  115   2HH1  ARG  14          2HH1  ARG  14   9.388 -12.652 -17.911
  116   1HH2  ARG  14          1HH2  ARG  14  12.505 -13.543 -19.257
  117   2HH2  ARG  14          2HH2  ARG  14  13.336 -12.149 -18.653
  118    QB   ARG  14           QB   ARG  14  11.150  -9.830 -14.750
  119    QG   ARG  14           QG   ARG  14  13.366 -10.625 -15.451
  120    QD   ARG  14           QD   ARG  14  12.770  -9.819 -17.549
  121    QH1  ARG  14           QH1  ARG  14   9.825 -13.241 -18.373
  122    QH2  ARG  14           QH2  ARG  14  12.920 -12.846 -18.955
  123    H    GLY  15           HN   GLY  15  13.258  -7.840 -15.802
  124   1HA   GLY  15          1HA   GLY  15  13.789  -5.186 -15.213
  125   2HA   GLY  15          2HA   GLY  15  13.271  -5.787 -16.796
  126    QA   GLY  15           QA   GLY  15  13.530  -5.487 -16.004
  127    H    ASN  16           HN   ASN  16  10.636  -6.673 -15.888
  128    HA   ASN  16           HA   ASN  16   9.432  -4.219 -14.776
  129   2HB   ASN  16          2HB   ASN  16   8.751  -4.052 -17.070
  130   3HB   ASN  16          3HB   ASN  16   8.292  -5.759 -17.136
  131   1HD2  ASN  16          1HD2  ASN  16   5.926  -3.644 -14.507
  132   2HD2  ASN  16          2HD2  ASN  16   7.647  -3.459 -14.427
  133    QB   ASN  16           QB   ASN  16   8.521  -4.905 -17.103
  134    QD2  ASN  16           QD2  ASN  16   6.786  -3.552 -14.467
  135    H    SER  17           HN   SER  17   7.568  -7.093 -15.655
  136    HA   SER  17           HA   SER  17   6.349  -8.439 -14.442
  137   2HB   SER  17          2HB   SER  17   8.164  -9.626 -13.536
  138   3HB   SER  17          3HB   SER  17   8.581  -8.315 -12.405
  139    HG   SER  17           HG   SER  17   6.549 -10.177 -12.235
  140    QB   SER  17           QB   SER  17   8.373  -8.970 -12.970
  141    H    MET  18           HN   MET  18   7.533  -6.008 -12.003
  142    HA   MET  18           HA   MET  18   4.895  -6.147 -10.952
  143   2HB   MET  18          2HB   MET  18   5.718  -5.112  -8.939
  144   3HB   MET  18          3HB   MET  18   7.095  -5.987  -9.566
  145   1HG   MET  18          2HG   MET  18   7.464  -3.630 -10.829
  146   2HG   MET  18          3HG   MET  18   6.484  -3.089  -9.450
  147   1HE   MET  18          2HE   MET  18   7.101  -3.455  -6.979
  148   2HE   MET  18          3HE   MET  18   7.591  -5.160  -7.172
  149   3HE   MET  18          1HE   MET  18   8.700  -3.997  -6.407
  150    QB   MET  18           QB   MET  18   6.406  -5.549  -9.252
  151    QG   MET  18           QG   MET  18   6.974  -3.359 -10.139
  152    QE   MET  18           QE   MET  18   7.797  -4.204  -6.853
  153    H    SER  19           HN   SER  19   3.831  -4.006 -10.043
  154    HA   SER  19           HA   SER  19   3.010  -2.592 -12.513
  155   2HB   SER  19          2HB   SER  19   2.021  -2.725  -9.685
  156   3HB   SER  19          3HB   SER  19   1.876  -1.166 -10.532
  157    HG   SER  19           HG   SER  19   0.475  -3.435 -10.848
  158    QB   SER  19           QB   SER  19   1.949  -1.946 -10.108
  159    H    GLY  20           HN   GLY  20   4.706  -2.071  -9.486
  160   1HA   GLY  20          1HA   GLY  20   6.678  -0.595  -9.469
  161   2HA   GLY  20          2HA   GLY  20   5.751   0.565 -10.440
  162    QA   GLY  20           QA   GLY  20   6.214  -0.015  -9.955
  163    H    THR  21           HN   THR  21   4.810   2.095  -9.253
  164    HA   THR  21           HA   THR  21   4.876   1.895  -6.347
  165    HB   THR  21           HB   THR  21   4.362   4.180  -8.262
  166    HG1  THR  21           HG1  THR  21   6.749   3.196  -7.050
  167   1HG2  THR  21          2HG2  THR  21   3.771   4.855  -5.974
  168   2HG2  THR  21          1HG2  THR  21   5.419   4.412  -5.435
  169   3HG2  THR  21          3HG2  THR  21   5.179   5.710  -6.619
  170    QG2  THR  21           QG2  THR  21   4.790   4.992  -6.009
  171    H    ILE  22           HN   ILE  22   3.071   2.190  -5.040
  172    HA   ILE  22           HA   ILE  22   0.409   1.645  -6.191
  173    HB   ILE  22           HB   ILE  22   1.679   1.605  -3.513
  174   2HG1  ILE  22          2HG1  ILE  22  -0.445  -0.001  -4.963
  175   3HG1  ILE  22          3HG1  ILE  22   1.318  -0.288  -4.953
  176   1HG2  ILE  22          3HG2  ILE  22  -1.289   2.193  -3.715
  177   2HG2  ILE  22          1HG2  ILE  22  -0.462   1.540  -2.300
  178   3HG2  ILE  22          2HG2  ILE  22  -0.035   3.142  -2.855
  179   1HD1  ILE  22          2HD1  ILE  22   1.151  -0.717  -2.488
  180   2HD1  ILE  22          3HD1  ILE  22  -0.634  -0.662  -2.667
  181   3HD1  ILE  22          1HD1  ILE  22   0.305  -1.888  -3.511
  182    QG1  ILE  22           QG1  ILE  22   0.437  -0.145  -4.958
  183    QG2  ILE  22           QG2  ILE  22  -0.595   2.292  -2.957
  184    QD1  ILE  22           QD1  ILE  22   0.274  -1.089  -2.889
  185    CH2  TRP  23           CH2  TRP  23   2.896   9.450  -7.848
  186    H    TRP  23           HN   TRP  23  -1.080   3.161  -6.639
  187    HA   TRP  23           HA   TRP  23  -0.629   5.999  -5.833
  188   2HB   TRP  23          2HB   TRP  23  -1.433   4.877  -8.537
  189   3HB   TRP  23          3HB   TRP  23  -1.709   6.549  -8.042
  190    HD1  TRP  23           HD1  TRP  23   1.002   4.261  -9.276
  191    HE1  TRP  23           HE1  TRP  23   3.175   5.556  -9.625
  192    HE3  TRP  23           HE3  TRP  23  -0.326   8.666  -7.037
  193    HZ2  TRP  23           HZ2  TRP  23   4.252   8.147  -8.895
  194    HZ3  TRP  23           HZ3  TRP  23   1.314  10.512  -6.839
  195    HH2  TRP  23           HH2  TRP  23   3.610  10.257  -7.757
  196    QB   TRP  23           QB   TRP  23  -1.571   5.713  -8.290
  197    H    VAL  24           HN   VAL  24  -2.128   6.334  -4.343
  198    HA   VAL  24           HA   VAL  24  -4.580   4.860  -4.204
  199    HB   VAL  24           HB   VAL  24  -3.905   7.496  -2.831
  200   1HG1  VAL  24          3HG1  VAL  24  -5.729   5.172  -2.049
  201   2HG1  VAL  24          1HG1  VAL  24  -5.416   6.622  -1.074
  202   3HG1  VAL  24          2HG1  VAL  24  -6.273   6.767  -2.615
  203   1HG2  VAL  24          1HG2  VAL  24  -3.175   4.634  -2.064
  204   2HG2  VAL  24          2HG2  VAL  24  -2.057   5.988  -2.342
  205   3HG2  VAL  24          3HG2  VAL  24  -3.123   6.008  -0.941
  206    QG1  VAL  24           QG1  VAL  24  -5.806   6.187  -1.913
  207    QG2  VAL  24           QG2  VAL  24  -2.785   5.543  -1.782
  208    QQG  VAL  24           QQG  VAL  24  -4.295   5.865  -1.847
  209    H    PHE  25           HN   PHE  25  -3.684   8.045  -5.525
  210    HA   PHE  25           HA   PHE  25  -6.477   8.751  -6.075
  211   2HB   PHE  25          2HB   PHE  25  -3.817  10.133  -6.661
  212   3HB   PHE  25          3HB   PHE  25  -5.388  10.767  -7.140
  213    HD1  PHE  25           HD1  PHE  25  -5.783   9.283  -3.880
  214    HD2  PHE  25           HD2  PHE  25  -4.303  12.778  -5.955
  215    HE1  PHE  25           HE1  PHE  25  -6.029  10.613  -1.830
  216    HE2  PHE  25           HE2  PHE  25  -4.612  14.113  -3.895
  217    HZ   PHE  25           HZ   PHE  25  -5.471  13.035  -1.827
  218    QB   PHE  25           QB   PHE  25  -4.602  10.450  -6.900
  219    QB   PHE  25           QB   PHE  25  -4.602  10.450  -6.900
  220    H    GLY  26           HN   GLY  26  -3.584   8.573  -8.281
  221   1HA   GLY  26          1HA   GLY  26  -5.000   7.245 -10.386
  222   2HA   GLY  26          2HA   GLY  26  -5.030   9.011 -10.593
  223    QA   GLY  26           QA   GLY  26  -5.015   8.128 -10.490
  224    H    CYS  27           HN   CYS  27  -3.570   7.061 -12.250
  225    HA   CYS  27           HA   CYS  27  -0.809   7.136 -11.470
  226   2HB   CYS  27          2HB   CYS  27  -1.639   5.337 -12.799
  227   3HB   CYS  27          3HB   CYS  27  -2.102   6.434 -14.121
  228    QB   CYS  27           QB   CYS  27  -1.870   5.885 -13.460
  229    HA   PRO  28           HA   PRO  28  -0.341  11.298 -13.135
  230   2HB   PRO  28          2HB   PRO  28   2.454  11.534 -12.794
  231   3HB   PRO  28          3HB   PRO  28   1.189  11.948 -11.609
  232   1HG   PRO  28          2HG   PRO  28   3.031   9.658 -11.582
  233   2HG   PRO  28          3HG   PRO  28   1.997  10.300 -10.288
  234   1HD   PRO  28          2HD   PRO  28   1.551   7.970 -11.927
  235   2HD   PRO  28          3HD   PRO  28   0.517   8.646 -10.635
  236    QB   PRO  28           QB   PRO  28   1.821  11.741 -12.201
  237    QG   PRO  28           QG   PRO  28   2.514   9.979 -10.935
  238    QD   PRO  28           QD   PRO  28   1.034   8.308 -11.281
  239    H    SER  29           HN   SER  29   0.859  12.474 -14.848
  240    HA   SER  29           HA   SER  29   0.955  10.945 -17.245
  241   2HB   SER  29          2HB   SER  29   0.961  13.708 -16.583
  242   3HB   SER  29          3HB   SER  29   2.480  13.447 -17.447
  243    HG   SER  29           HG   SER  29   1.222  12.455 -19.113
  244    QB   SER  29           QB   SER  29   1.720  13.578 -17.015
  245    H    GLY  30           HN   GLY  30   2.656  10.021 -18.367
  246   1HA   GLY  30          1HA   GLY  30   4.893   9.604 -18.922
  247   2HA   GLY  30          2HA   GLY  30   5.454  10.367 -17.431
  248    QA   GLY  30           QA   GLY  30   5.174   9.986 -18.177
  249    CH2  TRP  31           CH2  TRP  31   6.259   6.062  -9.752
  250    H    TRP  31           HN   TRP  31   3.043   8.560 -16.194
  251    HA   TRP  31           HA   TRP  31   4.817   6.248 -15.680
  252   2HB   TRP  31          2HB   TRP  31   2.495   7.500 -14.267
  253   3HB   TRP  31          3HB   TRP  31   3.081   5.881 -13.885
  254    HD1  TRP  31           HD1  TRP  31   4.656   9.454 -14.056
  255    HE1  TRP  31           HE1  TRP  31   6.134   9.729 -11.993
  256    HE3  TRP  31           HE3  TRP  31   4.030   4.840 -12.023
  257    HZ2  TRP  31           HZ2  TRP  31   6.874   8.095  -9.612
  258    HZ3  TRP  31           HZ3  TRP  31   5.526   4.080 -10.181
  259    HH2  TRP  31           HH2  TRP  31   6.814   5.776  -8.871
  260    QB   TRP  31           QB   TRP  31   2.788   6.690 -14.076
  261    H    ASN  32           HN   ASN  32   3.766   4.081 -15.657
  262    HA   ASN  32           HA   ASN  32   1.942   3.728 -17.994
  263   2HB   ASN  32          2HB   ASN  32   4.287   2.814 -18.035
  264   3HB   ASN  32          3HB   ASN  32   3.837   1.688 -16.753
  265   1HD2  ASN  32          1HD2  ASN  32   1.500  -0.038 -19.132
  266   2HD2  ASN  32          2HD2  ASN  32   1.315   0.549 -17.516
  267    QB   ASN  32           QB   ASN  32   4.062   2.251 -17.394
  268    QD2  ASN  32           QD2  ASN  32   1.408   0.255 -18.324
  269    H    ASN  33           HN   ASN  33  -0.093   3.409 -17.330
  270    HA   ASN  33           HA   ASN  33  -1.105   2.562 -14.879
  271   2HB   ASN  33          2HB   ASN  33  -2.451   1.861 -17.501
  272   3HB   ASN  33          3HB   ASN  33  -3.192   2.229 -15.940
  273   1HD2  ASN  33          1HD2  ASN  33  -1.786   3.555 -18.885
  274   2HD2  ASN  33          2HD2  ASN  33  -2.138   5.234 -18.517
  275    QB   ASN  33           QB   ASN  33  -2.822   2.045 -16.721
  276    QD2  ASN  33           QD2  ASN  33  -1.962   4.394 -18.701
  277    H    CYS  34           HN   CYS  34  -1.312   0.569 -13.804
  278    HA   CYS  34           HA   CYS  34  -1.608  -1.891 -15.218
  279   2HB   CYS  34          2HB   CYS  34   1.088  -1.251 -15.083
  280   3HB   CYS  34          3HB   CYS  34   0.905  -1.883 -13.493
  281    QB   CYS  34           QB   CYS  34   0.997  -1.567 -14.288
  282    H    GLU  35           HN   GLU  35  -2.752  -3.326 -13.621
  283    HA   GLU  35           HA   GLU  35  -2.315  -2.925 -10.834
  284   2HB   GLU  35          2HB   GLU  35  -4.392  -1.974 -10.153
  285   3HB   GLU  35          3HB   GLU  35  -3.656  -0.869 -11.316
  286   1HG   GLU  35          2HG   GLU  35  -5.201  -1.814 -13.078
  287   2HG   GLU  35          3HG   GLU  35  -5.997  -2.749 -11.796
  288    QB   GLU  35           QB   GLU  35  -4.024  -1.421 -10.734
  289    QG   GLU  35           QG   GLU  35  -5.599  -2.282 -12.437
  290    H    GLY  36           HN   GLY  36  -3.084  -4.581  -9.655
  291   1HA   GLY  36          1HA   GLY  36  -5.275  -5.814  -9.276
  292   2HA   GLY  36          2HA   GLY  36  -5.048  -6.508 -10.882
  293    QA   GLY  36           QA   GLY  36  -5.161  -6.161 -10.079
  294    NH1  ARG  37           NH1  ARG  37  -1.832 -11.541  -5.002
  295    NH2  ARG  37           NH2  ARG  37   0.462 -11.312  -5.218
  296    H    ARG  37           HN   ARG  37  -3.516  -6.307  -7.638
  297    HA   ARG  37           HA   ARG  37  -2.861  -9.153  -7.867
  298   2HB   ARG  37          2HB   ARG  37  -0.905  -7.072  -8.409
  299   3HB   ARG  37          3HB   ARG  37  -0.397  -7.914  -6.964
  300   1HG   ARG  37          2HG   ARG  37  -1.278  -9.502  -9.413
  301   2HG   ARG  37          3HG   ARG  37   0.291  -8.743  -9.372
  302   1HD   ARG  37          2HD   ARG  37   0.479 -11.051  -8.588
  303   2HD   ARG  37          3HD   ARG  37   0.912  -9.880  -7.333
  304    HE   ARG  37           HE   ARG  37  -1.846 -11.001  -7.456
  305   1HH1  ARG  37          2HH1  ARG  37  -2.748 -11.500  -5.400
  306   2HH1  ARG  37          1HH1  ARG  37  -1.715 -11.803  -4.044
  307   1HH2  ARG  37          2HH2  ARG  37   1.262 -11.099  -5.778
  308   2HH2  ARG  37          1HH2  ARG  37   0.578 -11.574  -4.260
  309    QB   ARG  37           QB   ARG  37  -0.651  -7.493  -7.687
  310    QG   ARG  37           QG   ARG  37  -0.493  -9.123  -9.392
  311    QD   ARG  37           QD   ARG  37   0.696 -10.465  -7.960
  312    QH1  ARG  37           QH1  ARG  37  -2.231 -11.651  -4.722
  313    QH2  ARG  37           QH2  ARG  37   0.920 -11.337  -5.019
  314    H    ALA  38           HN   ALA  38  -4.789  -8.376  -6.462
  315    HA   ALA  38           HA   ALA  38  -5.779  -8.274  -4.436
  316   1HB   ALA  38          3HB   ALA  38  -4.491 -10.328  -3.942
  317   2HB   ALA  38          1HB   ALA  38  -3.169  -9.341  -3.275
  318   3HB   ALA  38          2HB   ALA  38  -4.761  -9.329  -2.505
  319    QB   ALA  38           QB   ALA  38  -4.140  -9.666  -3.241
  320    H    ILE  39           HN   ILE  39  -5.426  -5.903  -5.197
  321    HA   ILE  39           HA   ILE  39  -4.288  -4.384  -2.933
  322    HB   ILE  39           HB   ILE  39  -3.272  -2.775  -4.324
  323   2HG1  ILE  39          2HG1  ILE  39  -4.240  -4.298  -6.790
  324   3HG1  ILE  39          3HG1  ILE  39  -4.836  -2.730  -6.224
  325   1HG2  ILE  39          3HG2  ILE  39  -2.029  -4.943  -3.828
  326   2HG2  ILE  39          1HG2  ILE  39  -2.369  -5.427  -5.505
  327   3HG2  ILE  39          2HG2  ILE  39  -1.408  -3.982  -5.166
  328   1HD1  ILE  39          1HD1  ILE  39  -2.453  -1.853  -6.386
  329   2HD1  ILE  39          2HD1  ILE  39  -2.076  -3.352  -7.289
  330   3HD1  ILE  39          3HD1  ILE  39  -3.246  -2.194  -7.923
  331    QG1  ILE  39           QG1  ILE  39  -4.538  -3.514  -6.507
  332    QG2  ILE  39           QG2  ILE  39  -1.935  -4.784  -4.833
  333    QD1  ILE  39           QD1  ILE  39  -2.592  -2.466  -7.199
  334    H    ILE  40           HN   ILE  40  -5.295  -2.277  -2.722
  335    HA   ILE  40           HA   ILE  40  -8.135  -2.314  -3.607
  336    HB   ILE  40           HB   ILE  40  -6.792  -0.641  -1.431
  337   2HG1  ILE  40          2HG1  ILE  40  -8.360  -2.125   0.027
  338   3HG1  ILE  40          3HG1  ILE  40  -8.266  -3.291  -1.296
  339   1HG2  ILE  40          3HG2  ILE  40  -9.687  -1.015  -2.288
  340   2HG2  ILE  40          1HG2  ILE  40  -9.180  -0.200  -0.794
  341   3HG2  ILE  40          2HG2  ILE  40  -8.730   0.480  -2.355
  342   1HD1  ILE  40          2HD1  ILE  40  -5.855  -2.085   0.167
  343   2HD1  ILE  40          3HD1  ILE  40  -6.634  -3.609   0.620
  344   3HD1  ILE  40          1HD1  ILE  40  -5.825  -3.477  -0.941
  345    QG1  ILE  40           QG1  ILE  40  -8.313  -2.708  -0.635
  346    QG2  ILE  40           QG2  ILE  40  -9.199  -0.245  -1.812
  347    QD1  ILE  40           QD1  ILE  40  -6.105  -3.057  -0.051
  348    H    GLY  41           HN   GLY  41  -5.554   0.118  -3.013
  349   1HA   GLY  41          1HA   GLY  41  -6.677   2.033  -4.875
  350   2HA   GLY  41          2HA   GLY  41  -5.111   2.134  -4.043
  351    QA   GLY  41           QA   GLY  41  -5.894   2.084  -4.459
  352    OH   TYR  42           OH   TYR  42  -9.997   4.661  -7.957
  353    H    TYR  42           HN   TYR  42  -4.972   2.988  -6.567
  354    HA   TYR  42           HA   TYR  42  -4.684   0.775  -8.475
  355   2HB   TYR  42          2HB   TYR  42  -4.066   3.691  -8.929
  356   3HB   TYR  42          3HB   TYR  42  -4.579   2.481 -10.105
  357    HD1  TYR  42           HD1  TYR  42  -5.754   5.354  -9.416
  358    HD2  TYR  42           HD2  TYR  42  -6.967   1.319  -8.518
  359    HE1  TYR  42           HE1  TYR  42  -8.079   6.126  -8.986
  360    HE2  TYR  42           HE2  TYR  42  -9.189   2.133  -7.838
  361    HH   TYR  42           HH   TYR  42 -10.545   3.982  -7.561
  362    QB   TYR  42           QB   TYR  42  -4.323   3.086  -9.517
  363    QB   TYR  42           QB   TYR  42  -4.323   3.086  -9.517
  364    H    CYS  43           HN   CYS  43  -2.632   1.046  -9.947
  365    HA   CYS  43           HA   CYS  43  -0.204   1.520  -8.304
  366   2HB   CYS  43          2HB   CYS  43  -1.160  -0.969  -8.507
  367   3HB   CYS  43          3HB   CYS  43  -0.238  -0.920  -9.970
  368    QB   CYS  43           QB   CYS  43  -0.699  -0.945  -9.238
  369    H    CYS  44           HN   CYS  44   1.709   1.876  -9.796
  370    HA   CYS  44           HA   CYS  44   1.205   1.872 -12.647
  371   2HB   CYS  44          2HB   CYS  44   0.136   4.098 -11.545
  372   3HB   CYS  44          3HB   CYS  44   1.805   4.656 -11.672
  373    QB   CYS  44           QB   CYS  44   0.970   4.377 -11.608
  374    H    LYS  45           HN   LYS  45   3.150   2.260 -13.891
  375    HA   LYS  45           HA   LYS  45   5.617   2.036 -12.202
  376   2HB   LYS  45          2HB   LYS  45   4.691   0.426 -14.336
  377   3HB   LYS  45          3HB   LYS  45   5.893   1.467 -15.087
  378   1HG   LYS  45          2HG   LYS  45   7.370   0.830 -12.985
  379   2HG   LYS  45          3HG   LYS  45   6.203  -0.470 -12.791
  380   1HD   LYS  45          2HD   LYS  45   7.972  -1.405 -13.955
  381   2HD   LYS  45          3HD   LYS  45   6.638  -1.206 -15.108
  382   2HE   LYS  45          2HE   LYS  45   8.334   1.172 -15.194
  383   3HE   LYS  45          3HE   LYS  45   9.384  -0.245 -15.213
  384   1HZ   LYS  45          2HZ   LYS  45   8.032  -1.087 -17.045
  385   2HZ   LYS  45          3HZ   LYS  45   7.210   0.324 -17.088
  386   3HZ   LYS  45          1HZ   LYS  45   8.812   0.302 -17.405
  387    QB   LYS  45           QB   LYS  45   5.292   0.947 -14.712
  388    QG   LYS  45           QG   LYS  45   6.786   0.180 -12.888
  389    QD   LYS  45           QD   LYS  45   7.305  -1.306 -14.531
  390    QE   LYS  45           QE   LYS  45   8.859   0.463 -15.203
  391    QZ   LYS  45           QZ   LYS  45   8.002   0.305 -17.292
  392    H    GLN  46           HN   GLN  46   7.518   3.292 -12.719
  393    HA   GLN  46           HA   GLN  46   7.098   5.834 -14.028
  394   2HB   GLN  46          2HB   GLN  46   9.572   4.313 -13.110
  395   3HB   GLN  46          3HB   GLN  46   9.703   5.832 -14.002
  396   1HG   GLN  46          2HG   GLN  46   8.217   6.931 -12.359
  397   2HG   GLN  46          3HG   GLN  46   8.295   5.477 -11.351
  398   1HE2  GLN  46          2HE2  GLN  46  11.719   6.120 -10.377
  399   2HE2  GLN  46          1HE2  GLN  46  10.535   4.839 -10.565
  400    QB   GLN  46           QB   GLN  46   9.637   5.073 -13.556
  401    QG   GLN  46           QG   GLN  46   8.256   6.204 -11.855
  402    QE2  GLN  46           QE2  GLN  46  11.127   5.479 -10.471
  
  Start of MODEL            6
 Raw file had 402 H/Q atoms
    1   1H    GLY   1          3HN   GLY   1  -0.267  -0.995   0.079
    2   2H    GLY   1          1HN   GLY   1  -0.344   0.401   0.966
    3   3H    GLY   1          2HN   GLY   1  -0.309   0.473  -0.687
    4   1HA   GLY   1          1HA   GLY   1   1.849   1.049  -0.024
    5   2HA   GLY   1          2HA   GLY   1   1.859  -0.302   1.136
    6    QA   GLY   1           QA   GLY   1   1.854   0.374   0.556
    7    H    ALA   2           HN   ALA   2   3.844  -0.032  -0.966
    8    HA   ALA   2           HA   ALA   2   3.143  -2.007  -3.037
    9   1HB   ALA   2          3HB   ALA   2   5.732  -0.576  -2.320
   10   2HB   ALA   2          1HB   ALA   2   5.541  -1.705  -3.675
   11   3HB   ALA   2          2HB   ALA   2   4.628  -0.183  -3.649
   12    QB   ALA   2           QB   ALA   2   5.300  -0.821  -3.215
   13    H    ALA   3           HN   ALA   3   4.477  -4.003  -3.224
   14    HA   ALA   3           HA   ALA   3   4.743  -5.339  -0.647
   15   1HB   ALA   3          2HB   ALA   3   5.227  -6.322  -3.484
   16   2HB   ALA   3          3HB   ALA   3   5.303  -7.327  -2.019
   17   3HB   ALA   3          1HB   ALA   3   3.772  -6.577  -2.493
   18    QB   ALA   3           QB   ALA   3   4.767  -6.742  -2.665
   19    H    CYS   4           HN   CYS   4   6.834  -6.412  -0.019
   20    HA   CYS   4           HA   CYS   4   9.224  -5.552  -1.485
   21   2HB   CYS   4          2HB   CYS   4  10.386  -4.498   0.112
   22   3HB   CYS   4          3HB   CYS   4   8.814  -3.844   0.510
   23    QB   CYS   4           QB   CYS   4   9.600  -4.171   0.311
   24    H    LEU   5           HN   LEU   5  11.157  -6.729  -0.738
   25    HA   LEU   5           HA   LEU   5  10.637  -9.535  -0.225
   26   2HB   LEU   5          2HB   LEU   5  13.300  -8.075  -0.346
   27   3HB   LEU   5          3HB   LEU   5  12.977  -9.798  -0.385
   28    HG   LEU   5           HG   LEU   5  11.579  -9.291  -2.539
   29   1HD1  LEU   5          2HD1  LEU   5  13.424  -6.897  -2.323
   30   2HD1  LEU   5          3HD1  LEU   5  12.769  -7.462  -3.871
   31   3HD1  LEU   5          1HD1  LEU   5  11.668  -6.886  -2.626
   32   1HD2  LEU   5          1HD2  LEU   5  14.421  -9.891  -2.020
   33   2HD2  LEU   5          2HD2  LEU   5  13.343 -10.589  -3.228
   34   3HD2  LEU   5          3HD2  LEU   5  14.205  -9.094  -3.572
   35    QB   LEU   5           QB   LEU   5  13.139  -8.936  -0.366
   36    QD1  LEU   5           QD1  LEU   5  12.620  -7.082  -2.940
   37    QD2  LEU   5           QD2  LEU   5  13.990  -9.858  -2.940
   38    QQD  LEU   5           QQD  LEU   5  13.305  -8.470  -2.940
   39    H    CYS   6           HN   CYS   6  11.817 -10.720   1.607
   40    HA   CYS   6           HA   CYS   6  11.543  -8.997   4.049
   41   2HB   CYS   6          2HB   CYS   6  10.773 -11.818   3.416
   42   3HB   CYS   6          3HB   CYS   6  11.446 -11.531   5.003
   43    QB   CYS   6           QB   CYS   6  11.109 -11.675   4.209
   44    H    LYS   7           HN   LYS   7  12.576  -9.705   5.971
   45    HA   LYS   7           HA   LYS   7  15.386  -9.285   5.550
   46   2HB   LYS   7          2HB   LYS   7  14.172  -8.538   7.596
   47   3HB   LYS   7          3HB   LYS   7  13.764 -10.209   7.976
   48   1HG   LYS   7          2HG   LYS   7  15.609 -10.027   9.327
   49   2HG   LYS   7          3HG   LYS   7  16.473 -10.504   7.848
   50   1HD   LYS   7          2HD   LYS   7  16.347  -7.817   7.394
   51   2HD   LYS   7          3HD   LYS   7  16.199  -7.784   9.136
   52   2HE   LYS   7          2HE   LYS   7  18.520  -8.646   7.392
   53   3HE   LYS   7          3HE   LYS   7  18.460  -7.458   8.696
   54   1HZ   LYS   7          1HZ   LYS   7  17.889  -9.628  10.029
   55   2HZ   LYS   7          2HZ   LYS   7  18.765 -10.321   8.838
   56   3HZ   LYS   7          3HZ   LYS   7  19.429  -9.152   9.765
   57    QB   LYS   7           QB   LYS   7  13.968  -9.373   7.786
   58    QG   LYS   7           QG   LYS   7  16.041 -10.266   8.587
   59    QD   LYS   7           QD   LYS   7  16.273  -7.800   8.265
   60    QE   LYS   7           QE   LYS   7  18.490  -8.052   8.044
   61    QZ   LYS   7           QZ   LYS   7  18.674  -9.424   9.926
   62    H    SER   8           HN   SER   8  13.241 -12.012   6.356
   63    HA   SER   8           HA   SER   8  15.261 -14.012   6.610
   64   2HB   SER   8          2HB   SER   8  13.225 -15.491   6.358
   65   3HB   SER   8          3HB   SER   8  13.131 -14.280   7.663
   66    HG   SER   8           HG   SER   8  11.292 -14.548   6.051
   67    QB   SER   8           QB   SER   8  13.178 -14.885   7.010
   68    H    ASP   9           HN   ASP   9  13.477 -12.559   3.911
   69    HA   ASP   9           HA   ASP   9  14.806 -14.389   1.975
   70   2HB   ASP   9          2HB   ASP   9  12.218 -14.710   2.633
   71   3HB   ASP   9          3HB   ASP   9  11.984 -13.439   1.447
   72    QB   ASP   9           QB   ASP   9  12.101 -14.075   2.040
   73    H    GLY  10           HN   GLY  10  16.347 -12.648   1.658
   74   1HA   GLY  10          1HA   GLY  10  15.280 -10.293   0.119
   75   2HA   GLY  10          2HA   GLY  10  16.751 -10.332   1.063
   76    QA   GLY  10           QA   GLY  10  16.015 -10.313   0.591
   77    HA   PRO  11           HA   PRO  11  18.239 -12.611  -2.834
   78   2HB   PRO  11          2HB   PRO  11  16.698 -14.208  -4.373
   79   3HB   PRO  11          3HB   PRO  11  17.151 -14.714  -2.723
   80   1HG   PRO  11          2HG   PRO  11  14.593 -13.303  -3.561
   81   2HG   PRO  11          3HG   PRO  11  14.730 -14.863  -2.694
   82   1HD   PRO  11          2HD   PRO  11  14.420 -12.523  -1.342
   83   2HD   PRO  11          3HD   PRO  11  15.508 -13.815  -0.734
   84    QB   PRO  11           QB   PRO  11  16.924 -14.461  -3.548
   85    QG   PRO  11           QG   PRO  11  14.661 -14.083  -3.128
   86    QD   PRO  11           QD   PRO  11  14.964 -13.169  -1.038
   87    H    ASN  12           HN   ASN  12  17.771 -12.657  -5.350
   88    HA   ASN  12           HA   ASN  12  17.042  -9.916  -6.097
   89   2HB   ASN  12          2HB   ASN  12  19.108 -11.019  -6.877
   90   3HB   ASN  12          3HB   ASN  12  18.135 -12.249  -7.704
   91   1HD2  ASN  12          1HD2  ASN  12  18.182  -8.604  -7.519
   92   2HD2  ASN  12          2HD2  ASN  12  18.123  -8.410  -9.265
   93    QB   ASN  12           QB   ASN  12  18.622 -11.634  -7.291
   94    QD2  ASN  12           QD2  ASN  12  18.153  -8.507  -8.392
   95    H    THR  13           HN   THR  13  14.788 -10.941  -5.216
   96    HA   THR  13           HA   THR  13  12.620 -11.623  -5.751
   97    HB   THR  13           HB   THR  13  12.534  -9.331  -5.807
   98    HG1  THR  13           HG1  THR  13  11.423 -10.275  -8.224
   99   1HG2  THR  13          3HG2  THR  13  13.791  -9.310  -8.567
  100   2HG2  THR  13          2HG2  THR  13  13.053  -7.907  -7.763
  101   3HG2  THR  13          1HG2  THR  13  14.482  -8.669  -7.054
  102    QG2  THR  13           QG2  THR  13  13.775  -8.629  -7.795
  103    NH1  ARG  14           NH1  ARG  14  17.116 -18.690  -9.725
  104    NH2  ARG  14           NH2  ARG  14  15.988 -20.386  -8.621
  105    H    ARG  14           HN   ARG  14  13.646 -13.702  -6.672
  106    HA   ARG  14           HA   ARG  14  13.437 -14.007  -9.539
  107   2HB   ARG  14          2HB   ARG  14  14.801 -15.301  -7.472
  108   3HB   ARG  14          3HB   ARG  14  13.601 -16.500  -7.924
  109   1HG   ARG  14          2HG   ARG  14  15.107 -15.199 -10.186
  110   2HG   ARG  14          3HG   ARG  14  16.076 -16.139  -9.068
  111   1HD   ARG  14          2HD   ARG  14  13.570 -17.211 -10.430
  112   2HD   ARG  14          3HD   ARG  14  15.174 -17.394 -11.115
  113    HE   ARG  14           HE   ARG  14  13.997 -18.874  -8.909
  114   1HH1  ARG  14          2HH1  ARG  14  17.111 -17.801 -10.183
  115   2HH1  ARG  14          1HH1  ARG  14  17.970 -19.202  -9.636
  116   1HH2  ARG  14          1HH2  ARG  14  16.844 -20.896  -8.533
  117   2HH2  ARG  14          2HH2  ARG  14  15.139 -20.766  -8.253
  118    QB   ARG  14           QB   ARG  14  14.201 -15.901  -7.698
  119    QG   ARG  14           QG   ARG  14  15.592 -15.669  -9.627
  120    QD   ARG  14           QD   ARG  14  14.372 -17.302 -10.773
  121    QH1  ARG  14           QH1  ARG  14  17.541 -18.502  -9.910
  122    QH2  ARG  14           QH2  ARG  14  15.991 -20.831  -8.393
  123    H    GLY  15           HN   GLY  15  11.167 -14.492  -6.911
  124   1HA   GLY  15          1HA   GLY  15   8.932 -14.888  -8.519
  125   2HA   GLY  15          2HA   GLY  15   9.570 -16.519  -8.241
  126    QA   GLY  15           QA   GLY  15   9.251 -15.703  -8.380
  127    H    ASN  16           HN   ASN  16  10.557 -16.084  -5.535
  128    HA   ASN  16           HA   ASN  16   8.164 -15.270  -4.012
  129   2HB   ASN  16          2HB   ASN  16   8.967 -18.012  -4.300
  130   3HB   ASN  16          3HB   ASN  16   9.559 -17.499  -2.721
  131   1HD2  ASN  16          2HD2  ASN  16   5.481 -17.340  -3.460
  132   2HD2  ASN  16          1HD2  ASN  16   6.610 -17.017  -4.768
  133    QB   ASN  16           QB   ASN  16   9.263 -17.756  -3.510
  134    QD2  ASN  16           QD2  ASN  16   6.045 -17.178  -4.114
  135    H    SER  17           HN   SER  17   8.712 -14.051  -2.359
  136    HA   SER  17           HA   SER  17  10.866 -13.827  -0.737
  137   2HB   SER  17          2HB   SER  17  12.214 -11.980  -1.774
  138   3HB   SER  17          3HB   SER  17  12.470 -13.544  -2.528
  139    HG   SER  17           HG   SER  17  10.998 -11.330  -3.521
  140    QB   SER  17           QB   SER  17  12.342 -12.762  -2.151
  141    H    MET  18           HN   MET  18   9.001 -11.921  -3.061
  142    HA   MET  18           HA   MET  18   8.807  -9.662  -1.336
  143   2HB   MET  18          2HB   MET  18   8.742 -10.031  -4.046
  144   3HB   MET  18          3HB   MET  18   7.049  -9.651  -3.732
  145   1HG   MET  18          2HG   MET  18   7.714  -7.624  -2.528
  146   2HG   MET  18          3HG   MET  18   9.425  -8.050  -2.710
  147   1HE   MET  18          2HE   MET  18  10.715  -8.179  -4.851
  148   2HE   MET  18          3HE   MET  18   9.477  -8.949  -5.872
  149   3HE   MET  18          1HE   MET  18  10.228  -7.426  -6.387
  150    QB   MET  18           QB   MET  18   7.896  -9.841  -3.889
  151    QG   MET  18           QG   MET  18   8.569  -7.837  -2.619
  152    QE   MET  18           QE   MET  18  10.140  -8.185  -5.703
  153    H    SER  19           HN   SER  19   7.967 -11.312   0.301
  154    HA   SER  19           HA   SER  19   4.989 -11.432   0.377
  155   2HB   SER  19          2HB   SER  19   6.317 -13.578   0.566
  156   3HB   SER  19          3HB   SER  19   7.062 -12.929   2.040
  157    HG   SER  19           HG   SER  19   4.840 -12.625   2.794
  158    QB   SER  19           QB   SER  19   6.689 -13.253   1.303
  159    H    GLY  20           HN   GLY  20   6.896  -9.055   0.941
  160   1HA   GLY  20          1HA   GLY  20   5.952  -8.451   3.690
  161   2HA   GLY  20          2HA   GLY  20   7.337  -7.708   2.854
  162    QA   GLY  20           QA   GLY  20   6.645  -8.080   3.272
  163    H    THR  21           HN   THR  21   5.238  -6.195   3.889
  164    HA   THR  21           HA   THR  21   4.306  -4.791   1.455
  165    HB   THR  21           HB   THR  21   2.828  -5.280   4.059
  166    HG1  THR  21           HG1  THR  21   2.822  -6.800   2.193
  167   1HG2  THR  21          2HG2  THR  21   2.051  -3.451   1.778
  168   2HG2  THR  21          1HG2  THR  21   0.983  -3.998   3.090
  169   3HG2  THR  21          3HG2  THR  21   2.386  -2.978   3.469
  170    QG2  THR  21           QG2  THR  21   1.807  -3.476   2.779
  171    H    ILE  22           HN   ILE  22   4.912  -2.733   1.459
  172    HA   ILE  22           HA   ILE  22   6.689  -1.679   3.498
  173    HB   ILE  22           HB   ILE  22   5.578  -0.741   0.865
  174   2HG1  ILE  22          2HG1  ILE  22   8.375  -1.181   1.976
  175   3HG1  ILE  22          3HG1  ILE  22   7.428  -2.366   1.063
  176   1HG2  ILE  22          1HG2  ILE  22   7.182   0.964   2.811
  177   2HG2  ILE  22          2HG2  ILE  22   6.918   1.356   1.095
  178   3HG2  ILE  22          3HG2  ILE  22   5.549   1.292   2.184
  179   1HD1  ILE  22          3HD1  ILE  22   7.442  -0.883  -0.912
  180   2HD1  ILE  22          1HD1  ILE  22   8.483   0.270  -0.039
  181   3HD1  ILE  22          2HD1  ILE  22   9.066  -1.359  -0.404
  182    QG1  ILE  22           QG1  ILE  22   7.902  -1.773   1.520
  183    QG2  ILE  22           QG2  ILE  22   6.550   1.204   2.030
  184    QD1  ILE  22           QD1  ILE  22   8.330  -0.657  -0.452
  185    CH2  TRP  23           CH2  TRP  23  -0.597  -2.672   5.482
  186    H    TRP  23           HN   TRP  23   6.063  -0.713   5.295
  187    HA   TRP  23           HA   TRP  23   3.504   0.809   5.367
  188   2HB   TRP  23          2HB   TRP  23   4.990  -0.540   7.644
  189   3HB   TRP  23          3HB   TRP  23   3.469   0.347   7.738
  190    HD1  TRP  23           HD1  TRP  23   4.898  -3.067   6.904
  191    HE1  TRP  23           HE1  TRP  23   3.091  -4.695   6.284
  192    HE3  TRP  23           HE3  TRP  23   0.954   0.202   6.460
  193    HZ2  TRP  23           HZ2  TRP  23   0.293  -4.639   5.543
  194    HZ3  TRP  23           HZ3  TRP  23  -1.205  -0.607   5.575
  195    HH2  TRP  23           HH2  TRP  23  -1.548  -3.020   5.106
  196    QB   TRP  23           QB   TRP  23   4.229  -0.097   7.691
  197    H    VAL  24           HN   VAL  24   4.311   2.761   4.658
  198    HA   VAL  24           HA   VAL  24   6.804   3.868   5.726
  199    HB   VAL  24           HB   VAL  24   4.572   5.301   4.267
  200   1HG1  VAL  24          2HG1  VAL  24   6.483   6.673   5.392
  201   2HG1  VAL  24          3HG1  VAL  24   7.546   5.926   4.183
  202   3HG1  VAL  24          1HG1  VAL  24   6.179   6.935   3.673
  203   1HG2  VAL  24          1HG2  VAL  24   6.919   3.733   3.138
  204   2HG2  VAL  24          2HG2  VAL  24   5.186   3.474   2.828
  205   3HG2  VAL  24          3HG2  VAL  24   5.984   4.921   2.212
  206    QG1  VAL  24           QG1  VAL  24   6.736   6.511   4.416
  207    QG2  VAL  24           QG2  VAL  24   6.030   4.043   2.726
  208    QQG  VAL  24           QQG  VAL  24   6.383   5.277   3.571
  209    H    PHE  25           HN   PHE  25   3.466   3.650   6.695
  210    HA   PHE  25           HA   PHE  25   3.794   5.807   8.711
  211   2HB   PHE  25          2HB   PHE  25   1.325   4.491   7.443
  212   3HB   PHE  25          3HB   PHE  25   1.238   5.500   8.874
  213    HD1  PHE  25           HD1  PHE  25   0.191   7.505   8.392
  214    HD2  PHE  25           HD2  PHE  25   2.871   5.818   5.477
  215    HE1  PHE  25           HE1  PHE  25  -0.244   9.406   6.877
  216    HE2  PHE  25           HE2  PHE  25   2.542   7.790   4.023
  217    HZ   PHE  25           HZ   PHE  25   0.947   9.572   4.701
  218    QB   PHE  25           QB   PHE  25   1.281   4.996   8.158
  219    QB   PHE  25           QB   PHE  25   1.281   4.996   8.158
  220    H    GLY  26           HN   GLY  26   1.959   2.671   8.642
  221   1HA   GLY  26          1HA   GLY  26   2.875   2.062  11.377
  222   2HA   GLY  26          2HA   GLY  26   1.186   2.566  11.169
  223    QA   GLY  26           QA   GLY  26   2.030   2.314  11.273
  224    H    CYS  27           HN   CYS  27   3.023  -0.099  11.470
  225    HA   CYS  27           HA   CYS  27   2.012  -1.715   9.315
  226   2HB   CYS  27          2HB   CYS  27   4.227  -1.851   9.833
  227   3HB   CYS  27          3HB   CYS  27   3.963  -2.084  11.568
  228    QB   CYS  27           QB   CYS  27   4.095  -1.967  10.700
  229    HA   PRO  28           HA   PRO  28  -1.545  -2.754  11.760
  230   2HB   PRO  28          2HB   PRO  28  -2.609  -4.794  10.109
  231   3HB   PRO  28          3HB   PRO  28  -2.846  -3.037   9.946
  232   1HG   PRO  28          2HG   PRO  28  -1.077  -4.827   8.361
  233   2HG   PRO  28          3HG   PRO  28  -1.798  -3.266   7.920
  234   1HD   PRO  28          2HD   PRO  28   0.879  -3.736   8.702
  235   2HD   PRO  28          3HD   PRO  28   0.035  -2.150   8.612
  236    QB   PRO  28           QB   PRO  28  -2.727  -3.915  10.028
  237    QG   PRO  28           QG   PRO  28  -1.438  -4.047   8.141
  238    QD   PRO  28           QD   PRO  28   0.457  -2.943   8.657
  239    H    SER  29           HN   SER  29  -2.810  -4.741  12.647
  240    HA   SER  29           HA   SER  29  -0.955  -6.161  14.290
  241   2HB   SER  29          2HB   SER  29  -3.446  -5.531  14.758
  242   3HB   SER  29          3HB   SER  29  -3.832  -7.052  13.929
  243    HG   SER  29           HG   SER  29  -2.494  -8.101  15.495
  244    QB   SER  29           QB   SER  29  -3.639  -6.292  14.344
  245    H    GLY  30           HN   GLY  30  -0.144  -8.253  14.122
  246   1HA   GLY  30          1HA   GLY  30   0.015 -10.450  13.235
  247   2HA   GLY  30          2HA   GLY  30  -0.995 -10.014  11.865
  248    QA   GLY  30           QA   GLY  30  -0.490 -10.232  12.550
  249    CH2  TRP  31           CH2  TRP  31   1.509  -7.906   4.327
  250    H    TRP  31           HN   TRP  31   0.646  -7.393  11.582
  251    HA   TRP  31           HA   TRP  31   2.599  -8.616   9.748
  252   2HB   TRP  31          2HB   TRP  31   1.449  -5.846  10.126
  253   3HB   TRP  31          3HB   TRP  31   2.776  -6.220   9.054
  254    HD1  TRP  31           HD1  TRP  31  -0.899  -7.347   9.454
  255    HE1  TRP  31           HE1  TRP  31  -1.791  -7.775   7.081
  256    HE3  TRP  31           HE3  TRP  31   3.450  -6.867   6.951
  257    HZ2  TRP  31           HZ2  TRP  31  -0.636  -7.790   4.316
  258    HZ3  TRP  31           HZ3  TRP  31   3.636  -7.828   4.606
  259    HH2  TRP  31           HH2  TRP  31   1.577  -8.255   3.307
  260    QB   TRP  31           QB   TRP  31   2.112  -6.033   9.590
  261    H    ASN  32           HN   ASN  32   4.723  -8.817  10.338
  262    HA   ASN  32           HA   ASN  32   6.119  -6.620  11.426
  263   2HB   ASN  32          2HB   ASN  32   5.084  -7.356  13.611
  264   3HB   ASN  32          3HB   ASN  32   5.831  -8.937  13.377
  265   1HD2  ASN  32          2HD2  ASN  32   7.144  -5.526  12.896
  266   2HD2  ASN  32          1HD2  ASN  32   8.448  -5.805  14.031
  267    QB   ASN  32           QB   ASN  32   5.457  -8.146  13.494
  268    QD2  ASN  32           QD2  ASN  32   7.796  -5.666  13.464
  269    H    ASN  33           HN   ASN  33   8.257  -6.814  11.051
  270    HA   ASN  33           HA   ASN  33  10.261  -7.504  10.914
  271   2HB   ASN  33          2HB   ASN  33   9.430 -10.471  10.978
  272   3HB   ASN  33          3HB   ASN  33  11.020  -9.806  11.326
  273   1HD2  ASN  33          2HD2  ASN  33   8.114  -9.834  14.191
  274   2HD2  ASN  33          1HD2  ASN  33   7.755 -10.323  12.526
  275    QB   ASN  33           QB   ASN  33  10.225 -10.139  11.152
  276    QD2  ASN  33           QD2  ASN  33   7.935 -10.078  13.358
  277    H    CYS  34           HN   CYS  34  10.440  -6.575   8.729
  278    HA   CYS  34           HA   CYS  34  11.194  -8.574   6.764
  279   2HB   CYS  34          2HB   CYS  34   8.590  -8.175   6.910
  280   3HB   CYS  34          3HB   CYS  34   8.938  -6.659   6.150
  281    QB   CYS  34           QB   CYS  34   8.764  -7.417   6.530
  282    H    GLU  35           HN   GLU  35  12.649  -7.482   5.330
  283    HA   GLU  35           HA   GLU  35  12.680  -4.539   5.223
  284   2HB   GLU  35          2HB   GLU  35  15.115  -6.159   6.092
  285   3HB   GLU  35          3HB   GLU  35  14.997  -4.405   5.913
  286   1HG   GLU  35          2HG   GLU  35  13.294  -4.392   7.779
  287   2HG   GLU  35          3HG   GLU  35  13.609  -6.121   8.033
  288    QB   GLU  35           QB   GLU  35  15.056  -5.282   6.003
  289    QG   GLU  35           QG   GLU  35  13.451  -5.256   7.906
  290    H    GLY  36           HN   GLY  36  12.534  -4.363   2.989
  291   1HA   GLY  36          1HA   GLY  36  13.989  -6.359   1.266
  292   2HA   GLY  36          2HA   GLY  36  12.356  -5.752   0.994
  293    QA   GLY  36           QA   GLY  36  13.173  -6.056   1.130
  294    NH1  ARG  37           NH1  ARG  37  16.966  -5.631  -4.647
  295    NH2  ARG  37           NH2  ARG  37  15.537  -5.521  -6.471
  296    H    ARG  37           HN   ARG  37  15.709  -5.014   0.705
  297    HA   ARG  37           HA   ARG  37  16.893  -3.497  -0.429
  298   2HB   ARG  37          2HB   ARG  37  14.266  -2.333  -1.501
  299   3HB   ARG  37          3HB   ARG  37  15.826  -1.585  -1.686
  300   1HG   ARG  37          2HG   ARG  37  15.346  -2.703  -3.659
  301   2HG   ARG  37          3HG   ARG  37  16.717  -3.510  -2.890
  302   1HD   ARG  37          2HD   ARG  37  15.338  -5.433  -2.317
  303   2HD   ARG  37          3HD   ARG  37  13.861  -4.494  -2.544
  304    HE   ARG  37           HE   ARG  37  13.802  -5.015  -4.721
  305   1HH1  ARG  37          2HH1  ARG  37  17.123  -5.541  -3.663
  306   2HH1  ARG  37          1HH1  ARG  37  17.722  -5.879  -5.253
  307   1HH2  ARG  37          2HH2  ARG  37  14.627  -5.348  -6.848
  308   2HH2  ARG  37          1HH2  ARG  37  16.291  -5.769  -7.079
  309    QB   ARG  37           QB   ARG  37  15.046  -1.959  -1.594
  310    QG   ARG  37           QG   ARG  37  16.031  -3.106  -3.274
  311    QD   ARG  37           QD   ARG  37  14.599  -4.964  -2.431
  312    QH1  ARG  37           QH1  ARG  37  17.422  -5.710  -4.458
  313    QH2  ARG  37           QH2  ARG  37  15.459  -5.559  -6.963
  314    H    ALA  38           HN   ALA  38  17.612  -1.379  -0.031
  315    HA   ALA  38           HA   ALA  38  16.992  -0.313   2.602
  316   1HB   ALA  38          3HB   ALA  38  19.267  -0.266   1.696
  317   2HB   ALA  38          1HB   ALA  38  18.737   0.758   0.343
  318   3HB   ALA  38          2HB   ALA  38  18.681   1.380   2.007
  319    QB   ALA  38           QB   ALA  38  18.895   0.624   1.349
  320    H    ILE  39           HN   ILE  39  14.633  -0.228   1.912
  321    HA   ILE  39           HA   ILE  39  13.780   2.108   0.368
  322    HB   ILE  39           HB   ILE  39  11.540   1.458   1.027
  323   2HG1  ILE  39          2HG1  ILE  39  12.955   0.088   3.245
  324   3HG1  ILE  39          3HG1  ILE  39  11.343   0.790   3.147
  325   1HG2  ILE  39          3HG2  ILE  39  12.663   0.298  -0.830
  326   2HG2  ILE  39          1HG2  ILE  39  13.144  -1.000   0.272
  327   3HG2  ILE  39          2HG2  ILE  39  11.428  -0.692  -0.056
  328   1HD1  ILE  39          3HD1  ILE  39  10.576  -1.299   1.979
  329   2HD1  ILE  39          1HD1  ILE  39  12.205  -1.976   2.222
  330   3HD1  ILE  39          2HD1  ILE  39  11.208  -1.545   3.620
  331    QG1  ILE  39           QG1  ILE  39  12.149   0.439   3.196
  332    QG2  ILE  39           QG2  ILE  39  12.412  -0.465  -0.205
  333    QD1  ILE  39           QD1  ILE  39  11.330  -1.607   2.607
  334    H    ILE  40           HN   ILE  40  12.162   3.589   1.478
  335    HA   ILE  40           HA   ILE  40  13.585   4.953   3.646
  336    HB   ILE  40           HB   ILE  40  11.120   5.748   2.050
  337   2HG1  ILE  40          2HG1  ILE  40  14.048   6.501   1.581
  338   3HG1  ILE  40          3HG1  ILE  40  13.155   5.328   0.610
  339   1HG2  ILE  40          1HG2  ILE  40  11.372   7.019   4.166
  340   2HG2  ILE  40          2HG2  ILE  40  13.052   7.403   3.741
  341   3HG2  ILE  40          3HG2  ILE  40  11.706   8.053   2.785
  342   1HD1  ILE  40          3HD1  ILE  40  11.504   7.096  -0.002
  343   2HD1  ILE  40          1HD1  ILE  40  12.595   8.293   0.744
  344   3HD1  ILE  40          2HD1  ILE  40  13.151   7.318  -0.622
  345    QG1  ILE  40           QG1  ILE  40  13.601   5.915   1.095
  346    QG2  ILE  40           QG2  ILE  40  12.043   7.492   3.564
  347    QD1  ILE  40           QD1  ILE  40  12.417   7.569   0.040
  348    H    GLY  41           HN   GLY  41  10.562   3.189   3.119
  349   1HA   GLY  41          1HA   GLY  41   9.407   3.893   5.741
  350   2HA   GLY  41          2HA   GLY  41   8.720   2.843   4.488
  351    QA   GLY  41           QA   GLY  41   9.064   3.368   5.115
  352    OH   TYR  42           OH   TYR  42   6.325   4.973  10.496
  353    H    TYR  42           HN   TYR  42   8.236   1.568   6.533
  354    HA   TYR  42           HA   TYR  42  10.503  -0.244   7.268
  355   2HB   TYR  42          2HB   TYR  42   8.640  -0.552   9.234
  356   3HB   TYR  42          3HB   TYR  42  10.075   0.445   9.339
  357    HD1  TYR  42           HD1  TYR  42   9.897   2.945   8.615
  358    HD2  TYR  42           HD2  TYR  42   6.543   0.485   9.780
  359    HE1  TYR  42           HE1  TYR  42   8.623   4.973   9.250
  360    HE2  TYR  42           HE2  TYR  42   5.362   2.496  10.576
  361    HH   TYR  42           HH   TYR  42   5.415   4.807  10.762
  362    QB   TYR  42           QB   TYR  42   9.358  -0.054   9.286
  363    QB   TYR  42           QB   TYR  42   9.358  -0.054   9.286
  364    H    CYS  43           HN   CYS  43  10.105  -2.406   6.623
  365    HA   CYS  43           HA   CYS  43   7.490  -2.761   5.217
  366   2HB   CYS  43          2HB   CYS  43   9.745  -3.158   4.059
  367   3HB   CYS  43          3HB   CYS  43   9.824  -4.623   5.026
  368    QB   CYS  43           QB   CYS  43   9.785  -3.891   4.543
  369    H    CYS  44           HN   CYS  44   6.377  -4.788   5.734
  370    HA   CYS  44           HA   CYS  44   7.344  -6.230   8.158
  371   2HB   CYS  44          2HB   CYS  44   4.544  -5.144   7.797
  372   3HB   CYS  44          3HB   CYS  44   4.982  -6.446   8.892
  373    QB   CYS  44           QB   CYS  44   4.763  -5.795   8.344
  374    H    LYS  45           HN   LYS  45   6.403  -8.294   8.074
  375    HA   LYS  45           HA   LYS  45   5.358  -9.570   5.608
  376   2HB   LYS  45          2HB   LYS  45   7.728  -9.973   6.578
  377   3HB   LYS  45          3HB   LYS  45   6.976 -10.503   7.990
  378   1HG   LYS  45          2HG   LYS  45   5.800 -12.219   6.346
  379   2HG   LYS  45          3HG   LYS  45   7.087 -11.857   5.225
  380   1HD   LYS  45          2HD   LYS  45   7.320 -13.858   6.897
  381   2HD   LYS  45          3HD   LYS  45   8.699 -12.789   6.737
  382   2HE   LYS  45          2HE   LYS  45   8.270 -13.633   9.044
  383   3HE   LYS  45          3HE   LYS  45   8.510 -11.902   8.909
  384   1HZ   LYS  45          2HZ   LYS  45   5.865 -13.132   9.140
  385   2HZ   LYS  45          3HZ   LYS  45   6.751 -12.639  10.421
  386   3HZ   LYS  45          1HZ   LYS  45   6.249 -11.554   9.309
  387    QB   LYS  45           QB   LYS  45   7.352 -10.238   7.284
  388    QG   LYS  45           QG   LYS  45   6.444 -12.038   5.786
  389    QD   LYS  45           QD   LYS  45   8.009 -13.323   6.817
  390    QE   LYS  45           QE   LYS  45   8.390 -12.767   8.976
  391    QZ   LYS  45           QZ   LYS  45   6.460 -12.091   9.889
  392    H    GLN  46           HN   GLN  46   3.461 -10.817   6.047
  393    HA   GLN  46           HA   GLN  46   1.761 -10.389   8.213
  394   2HB   GLN  46          2HB   GLN  46   1.905 -12.888   6.489
  395   3HB   GLN  46          3HB   GLN  46   0.490 -12.320   7.376
  396   1HG   GLN  46          2HG   GLN  46  -0.142 -11.105   5.599
  397   2HG   GLN  46          3HG   GLN  46   1.294 -10.111   5.806
  398   1HE2  GLN  46          1HE2  GLN  46   0.434 -13.375   4.562
  399   2HE2  GLN  46          2HE2  GLN  46   1.296 -13.211   3.041
  400    QB   GLN  46           QB   GLN  46   1.197 -12.604   6.932
  401    QG   GLN  46           QG   GLN  46   0.576 -10.608   5.702
  402    QE2  GLN  46           QE2  GLN  46   0.865 -13.293   3.802
  
  Start of MODEL            7
 Raw file had 402 H/Q atoms
    1   1H    GLY   1          1HN   GLY   1  -0.297  -0.267   1.459
    2   2H    GLY   1          2HN   GLY   1  -0.408   0.821   0.215
    3   3H    GLY   1          3HN   GLY   1  -0.702  -0.785  -0.061
    4   1HA   GLY   1          1HA   GLY   1   1.459  -1.395   0.144
    5   2HA   GLY   1          2HA   GLY   1   1.557   0.122  -0.793
    6    QA   GLY   1           QA   GLY   1   1.508  -0.637  -0.324
    7    H    ALA   2           HN   ALA   2   3.734   0.490   0.140
    8    HA   ALA   2           HA   ALA   2   3.637   1.392   2.969
    9   1HB   ALA   2          3HB   ALA   2   4.680  -0.893   2.829
   10   2HB   ALA   2          1HB   ALA   2   5.908  -0.221   1.732
   11   3HB   ALA   2          2HB   ALA   2   5.801   0.349   3.412
   12    QB   ALA   2           QB   ALA   2   5.463  -0.255   2.658
   13    H    ALA   3           HN   ALA   3   3.589   2.747   0.297
   14    HA   ALA   3           HA   ALA   3   4.968   4.992   1.188
   15   1HB   ALA   3          1HB   ALA   3   7.047   3.930   0.403
   16   2HB   ALA   3          2HB   ALA   3   6.332   3.698  -1.210
   17   3HB   ALA   3          3HB   ALA   3   6.660   5.333  -0.595
   18    QB   ALA   3           QB   ALA   3   6.680   4.320  -0.467
   19    H    CYS   4           HN   CYS   4   4.721   6.903  -0.151
   20    HA   CYS   4           HA   CYS   4   2.680   6.912  -2.234
   21   2HB   CYS   4          2HB   CYS   4   0.990   7.953  -0.536
   22   3HB   CYS   4          3HB   CYS   4   1.289   6.224  -0.441
   23    QB   CYS   4           QB   CYS   4   1.140   7.089  -0.488
   24    H    LEU   5           HN   LEU   5   1.859   8.983  -2.725
   25    HA   LEU   5           HA   LEU   5   3.831  11.061  -2.600
   26   2HB   LEU   5          2HB   LEU   5   0.933  11.266  -3.489
   27   3HB   LEU   5          3HB   LEU   5   2.201  12.474  -3.675
   28    HG   LEU   5           HG   LEU   5   1.891   9.864  -5.155
   29   1HD1  LEU   5          2HD1  LEU   5   0.943  12.118  -6.000
   30   2HD1  LEU   5          3HD1  LEU   5   2.627  12.671  -6.070
   31   3HD1  LEU   5          1HD1  LEU   5   2.110  11.339  -7.100
   32   1HD2  LEU   5          2HD2  LEU   5   4.400  11.596  -5.064
   33   2HD2  LEU   5          3HD2  LEU   5   4.262   9.942  -4.418
   34   3HD2  LEU   5          1HD2  LEU   5   4.124  10.231  -6.148
   35    QB   LEU   5           QB   LEU   5   1.567  11.870  -3.582
   36    QD1  LEU   5           QD1  LEU   5   1.893  12.043  -6.390
   37    QD2  LEU   5           QD2  LEU   5   4.262  10.590  -5.210
   38    QQD  LEU   5           QQD  LEU   5   3.078  11.316  -5.800
   39    H    CYS   6           HN   CYS   6   4.063  12.698  -1.312
   40    HA   CYS   6           HA   CYS   6   2.220  13.100   0.938
   41   2HB   CYS   6          2HB   CYS   6   5.087  13.590   0.351
   42   3HB   CYS   6          3HB   CYS   6   4.318  14.972   1.097
   43    QB   CYS   6           QB   CYS   6   4.702  14.281   0.724
   44    H    LYS   7           HN   LYS   7   2.002  15.505   1.545
   45    HA   LYS   7           HA   LYS   7   0.164  16.689  -0.155
   46   2HB   LYS   7          2HB   LYS   7   0.063  16.885   2.212
   47   3HB   LYS   7          3HB   LYS   7   1.656  17.628   2.330
   48   1HG   LYS   7          2HG   LYS   7  -0.412  19.055   0.675
   49   2HG   LYS   7          3HG   LYS   7  -0.663  19.017   2.416
   50   1HD   LYS   7          2HD   LYS   7   1.418  20.047   2.924
   51   2HD   LYS   7          3HD   LYS   7   2.028  19.863   1.275
   52   2HE   LYS   7          2HE   LYS   7   0.293  21.416   0.427
   53   3HE   LYS   7          3HE   LYS   7  -0.313  21.646   2.078
   54   1HZ   LYS   7          3HZ   LYS   7   2.399  22.304   1.165
   55   2HZ   LYS   7          1HZ   LYS   7   1.191  23.381   1.383
   56   3HZ   LYS   7          2HZ   LYS   7   1.801  22.568   2.662
   57    QB   LYS   7           QB   LYS   7   0.859  17.257   2.271
   58    QG   LYS   7           QG   LYS   7  -0.538  19.036   1.546
   59    QD   LYS   7           QD   LYS   7   1.723  19.955   2.099
   60    QE   LYS   7           QE   LYS   7  -0.010  21.531   1.253
   61    QZ   LYS   7           QZ   LYS   7   1.827  22.876   1.282
   62    H    SER   8           HN   SER   8   3.578  17.478   0.368
   63    HA   SER   8           HA   SER   8   4.009  18.034  -2.226
   64   2HB   SER   8          2HB   SER   8   3.098  20.588  -1.013
   65   3HB   SER   8          3HB   SER   8   4.669  20.680  -1.832
   66    HG   SER   8           HG   SER   8   2.305  19.643  -2.934
   67    QB   SER   8           QB   SER   8   3.884  20.634  -1.423
   68    H    ASP   9           HN   ASP   9   5.479  16.606  -1.437
   69    HA   ASP   9           HA   ASP   9   7.728  17.639   0.157
   70   2HB   ASP   9          2HB   ASP   9   6.701  15.185   0.051
   71   3HB   ASP   9          3HB   ASP   9   7.715  15.008  -1.356
   72    QB   ASP   9           QB   ASP   9   7.208  15.097  -0.652
   73    H    GLY  10           HN   GLY  10   9.682  16.370  -1.659
   74   1HA   GLY  10          1HA   GLY  10  10.270  18.613  -3.368
   75   2HA   GLY  10          2HA   GLY  10  11.018  17.010  -3.476
   76    QA   GLY  10           QA   GLY  10  10.644  17.812  -3.422
   77    HA   PRO  11           HA   PRO  11   8.380  17.232  -7.314
   78   2HB   PRO  11          2HB   PRO  11  10.307  17.334  -9.224
   79   3HB   PRO  11          3HB   PRO  11   9.693  18.810  -8.424
   80   1HG   PRO  11          2HG   PRO  11  12.228  17.273  -7.808
   81   2HG   PRO  11          3HG   PRO  11  12.023  19.039  -7.968
   82   1HD   PRO  11          2HD   PRO  11  12.043  17.690  -5.542
   83   2HD   PRO  11          3HD   PRO  11  11.140  19.212  -5.797
   84    QB   PRO  11           QB   PRO  11  10.000  18.072  -8.824
   85    QG   PRO  11           QG   PRO  11  12.125  18.156  -7.888
   86    QD   PRO  11           QD   PRO  11  11.592  18.451  -5.669
   87    H    ASN  12           HN   ASN  12   7.872  15.145  -8.166
   88    HA   ASN  12           HA   ASN  12  10.008  13.185  -8.621
   89   2HB   ASN  12          2HB   ASN  12   9.282  13.063  -6.148
   90   3HB   ASN  12          3HB   ASN  12   7.773  12.406  -6.782
   91   1HD2  ASN  12          1HD2  ASN  12   9.867  11.092  -8.992
   92   2HD2  ASN  12          2HD2  ASN  12  10.306   9.680  -8.061
   93    QB   ASN  12           QB   ASN  12   8.528  12.734  -6.465
   94    QD2  ASN  12           QD2  ASN  12  10.087  10.386  -8.526
   95    H    THR  13           HN   THR  13   7.650  11.316  -8.493
   96    HA   THR  13           HA   THR  13   6.773  11.418 -11.208
   97    HB   THR  13           HB   THR  13   6.881   9.373  -9.851
   98    HG1  THR  13           HG1  THR  13   4.997   8.512 -10.722
   99   1HG2  THR  13          3HG2  THR  13   5.914  10.199  -7.728
  100   2HG2  THR  13          2HG2  THR  13   4.344  10.438  -8.530
  101   3HG2  THR  13          1HG2  THR  13   5.009   8.806  -8.343
  102    QG2  THR  13           QG2  THR  13   5.089   9.814  -8.200
  103    NH1  ARG  14           NH1  ARG  14  -1.259  14.045 -16.553
  104    NH2  ARG  14           NH2  ARG  14   0.510  15.142 -15.535
  105    H    ARG  14           HN   ARG  14   4.246  11.042 -11.328
  106    HA   ARG  14           HA   ARG  14   3.493  13.654 -11.993
  107   2HB   ARG  14          2HB   ARG  14   2.949  11.295 -12.952
  108   3HB   ARG  14          3HB   ARG  14   1.519  11.339 -11.938
  109   1HG   ARG  14          2HG   ARG  14   2.290  13.478 -14.002
  110   2HG   ARG  14          3HG   ARG  14   1.392  12.012 -14.387
  111   1HD   ARG  14          2HD   ARG  14  -0.242  12.769 -12.485
  112   2HD   ARG  14          3HD   ARG  14   0.417  14.380 -12.757
  113    HE   ARG  14           HE   ARG  14  -1.446  12.867 -14.352
  114   1HH1  ARG  14          2HH1  ARG  14  -1.985  13.358 -16.522
  115   2HH1  ARG  14          1HH1  ARG  14  -1.125  14.594 -17.378
  116   1HH2  ARG  14          2HH2  ARG  14   1.107  15.275 -14.744
  117   2HH2  ARG  14          1HH2  ARG  14   0.644  15.691 -16.360
  118    QB   ARG  14           QB   ARG  14   2.234  11.317 -12.445
  119    QG   ARG  14           QG   ARG  14   1.841  12.745 -14.194
  120    QD   ARG  14           QD   ARG  14   0.087  13.575 -12.621
  121    QH1  ARG  14           QH1  ARG  14  -1.555  13.976 -16.950
  122    QH2  ARG  14           QH2  ARG  14   0.875  15.483 -15.552
  123    H    GLY  15           HN   GLY  15   3.057  15.186 -10.480
  124   1HA   GLY  15          1HA   GLY  15   1.084  16.215  -9.449
  125   2HA   GLY  15          2HA   GLY  15   0.830  14.744  -8.512
  126    QA   GLY  15           QA   GLY  15   0.957  15.480  -8.981
  127    H    ASN  16           HN   ASN  16   2.107  14.375  -6.717
  128    HA   ASN  16           HA   ASN  16   3.876  16.598  -5.743
  129   2HB   ASN  16          2HB   ASN  16   2.185  14.613  -4.185
  130   3HB   ASN  16          3HB   ASN  16   3.279  15.830  -3.493
  131   1HD2  ASN  16          1HD2  ASN  16   0.931  15.900  -2.493
  132   2HD2  ASN  16          2HD2  ASN  16   0.354  17.499  -2.854
  133    QB   ASN  16           QB   ASN  16   2.732  15.222  -3.839
  134    QD2  ASN  16           QD2  ASN  16   0.642  16.699  -2.674
  135    H    SER  17           HN   SER  17   4.837  14.635  -3.532
  136    HA   SER  17           HA   SER  17   6.460  12.857  -5.257
  137   2HB   SER  17          2HB   SER  17   7.921  14.588  -5.089
  138   3HB   SER  17          3HB   SER  17   7.414  15.035  -3.453
  139    HG   SER  17           HG   SER  17   9.474  13.529  -4.104
  140    QB   SER  17           QB   SER  17   7.668  14.811  -4.271
  141    H    MET  18           HN   MET  18   7.192  10.989  -4.558
  142    HA   MET  18           HA   MET  18   5.667   9.812  -2.466
  143   2HB   MET  18          2HB   MET  18   6.177   8.973  -4.917
  144   3HB   MET  18          3HB   MET  18   7.704   8.408  -4.230
  145   1HG   MET  18          2HG   MET  18   6.316   7.229  -2.472
  146   2HG   MET  18          3HG   MET  18   4.889   7.697  -3.418
  147   1HE   MET  18          3HE   MET  18   4.495   6.875  -5.958
  148   2HE   MET  18          1HE   MET  18   6.174   7.239  -6.445
  149   3HE   MET  18          2HE   MET  18   5.495   5.627  -6.739
  150    QB   MET  18           QB   MET  18   6.940   8.691  -4.574
  151    QG   MET  18           QG   MET  18   5.602   7.463  -2.945
  152    QE   MET  18           QE   MET  18   5.388   6.580  -6.381
  153    H    SER  19           HN   SER  19   7.129  11.464  -1.160
  154    HA   SER  19           HA   SER  19   9.511  10.006  -0.092
  155   2HB   SER  19          2HB   SER  19   9.527  12.527  -0.582
  156   3HB   SER  19          3HB   SER  19   8.502  12.691   0.857
  157    HG   SER  19           HG   SER  19  11.082  11.492   0.717
  158    QB   SER  19           QB   SER  19   9.014  12.609   0.138
  159    H    GLY  20           HN   GLY  20   6.157   9.859   0.371
  160   1HA   GLY  20          1HA   GLY  20   6.349   9.702   3.316
  161   2HA   GLY  20          2HA   GLY  20   4.880   9.862   2.355
  162    QA   GLY  20           QA   GLY  20   5.615   9.782   2.836
  163    H    THR  21           HN   THR  21   5.361   7.988   4.409
  164    HA   THR  21           HA   THR  21   5.445   5.280   3.196
  165    HB   THR  21           HB   THR  21   5.523   6.260   6.049
  166    HG1  THR  21           HG1  THR  21   7.481   5.183   4.287
  167   1HG2  THR  21          2HG2  THR  21   5.808   3.426   4.980
  168   2HG2  THR  21          1HG2  THR  21   6.194   3.956   6.631
  169   3HG2  THR  21          3HG2  THR  21   4.531   4.046   6.053
  170    QG2  THR  21           QG2  THR  21   5.511   3.809   5.888
  171    H    ILE  22           HN   ILE  22   3.564   4.002   3.313
  172    HA   ILE  22           HA   ILE  22   1.010   5.366   3.784
  173    HB   ILE  22           HB   ILE  22   1.933   2.775   2.630
  174   2HG1  ILE  22          2HG1  ILE  22   0.106   4.985   1.659
  175   3HG1  ILE  22          3HG1  ILE  22   1.809   4.675   1.236
  176   1HG2  ILE  22          1HG2  ILE  22  -0.972   3.183   3.397
  177   2HG2  ILE  22          2HG2  ILE  22  -0.351   1.900   2.350
  178   3HG2  ILE  22          3HG2  ILE  22   0.139   1.928   4.022
  179   1HD1  ILE  22          2HD1  ILE  22   1.143   2.500   0.236
  180   2HD1  ILE  22          3HD1  ILE  22  -0.570   2.986   0.440
  181   3HD1  ILE  22          1HD1  ILE  22   0.513   3.919  -0.596
  182    QG1  ILE  22           QG1  ILE  22   0.957   4.830   1.447
  183    QG2  ILE  22           QG2  ILE  22  -0.395   2.337   3.256
  184    QD1  ILE  22           QD1  ILE  22   0.362   3.135   0.027
  185    CH2  TRP  23           CH2  TRP  23   4.645   2.883  10.369
  186    H    TRP  23           HN   TRP  23  -0.423   4.967   5.441
  187    HA   TRP  23           HA   TRP  23   0.198   2.911   7.477
  188   2HB   TRP  23          2HB   TRP  23  -0.434   5.841   7.949
  189   3HB   TRP  23          3HB   TRP  23  -0.473   4.606   9.219
  190    HD1  TRP  23           HD1  TRP  23   1.813   6.949   7.528
  191    HE1  TRP  23           HE1  TRP  23   4.268   6.554   8.196
  192    HE3  TRP  23           HE3  TRP  23   1.273   2.501   9.987
  193    HZ2  TRP  23           HZ2  TRP  23   5.794   4.548   9.613
  194    HZ3  TRP  23           HZ3  TRP  23   3.235   1.375  10.993
  195    HH2  TRP  23           HH2  TRP  23   5.498   2.380  10.802
  196    QB   TRP  23           QB   TRP  23  -0.454   5.223   8.584
  197    H    VAL  24           HN   VAL  24  -1.753   2.405   8.739
  198    HA   VAL  24           HA   VAL  24  -3.898   2.017   6.870
  199    HB   VAL  24           HB   VAL  24  -3.740   1.357   9.851
  200   1HG1  VAL  24          2HG1  VAL  24  -5.585   0.297   7.660
  201   2HG1  VAL  24          3HG1  VAL  24  -5.480  -0.331   9.319
  202   3HG1  VAL  24          1HG1  VAL  24  -6.070   1.308   9.034
  203   1HG2  VAL  24          1HG2  VAL  24  -3.088  -0.312   7.382
  204   2HG2  VAL  24          2HG2  VAL  24  -1.924   0.253   8.599
  205   3HG2  VAL  24          3HG2  VAL  24  -3.161  -0.926   9.046
  206    QG1  VAL  24           QG1  VAL  24  -5.712   0.425   8.671
  207    QG2  VAL  24           QG2  VAL  24  -2.724  -0.328   8.342
  208    QQG  VAL  24           QQG  VAL  24  -4.218   0.048   8.507
  209    H    PHE  25           HN   PHE  25  -4.081   3.517  10.141
  210    HA   PHE  25           HA   PHE  25  -5.886   5.614   9.037
  211   2HB   PHE  25          2HB   PHE  25  -6.259   4.032  11.593
  212   3HB   PHE  25          3HB   PHE  25  -7.272   5.387  11.067
  213    HD1  PHE  25           HD1  PHE  25  -7.755   2.236  11.764
  214    HD2  PHE  25           HD2  PHE  25  -7.745   4.640   8.174
  215    HE1  PHE  25           HE1  PHE  25  -9.204   0.580  10.638
  216    HE2  PHE  25           HE2  PHE  25  -9.186   2.979   7.063
  217    HZ   PHE  25           HZ   PHE  25  -9.907   0.932   8.279
  218    QB   PHE  25           QB   PHE  25  -6.766   4.709  11.330
  219    QB   PHE  25           QB   PHE  25  -6.766   4.709  11.330
  220    H    GLY  26           HN   GLY  26  -4.497   4.736  12.245
  221   1HA   GLY  26          1HA   GLY  26  -3.667   7.517  12.659
  222   2HA   GLY  26          2HA   GLY  26  -3.591   6.177  13.807
  223    QA   GLY  26           QA   GLY  26  -3.629   6.847  13.233
  224    H    CYS  27           HN   CYS  27  -1.506   8.138  12.990
  225    HA   CYS  27           HA   CYS  27   0.508   6.530  11.495
  226   2HB   CYS  27          2HB   CYS  27  -0.254   8.835  10.806
  227   3HB   CYS  27          3HB   CYS  27   0.677   9.477  12.177
  228    QB   CYS  27           QB   CYS  27   0.212   9.156  11.491
  229    HA   PRO  28           HA   PRO  28   2.337   6.173  15.604
  230   2HB   PRO  28          2HB   PRO  28   5.105   5.921  14.772
  231   3HB   PRO  28          3HB   PRO  28   3.979   4.650  15.308
  232   1HG   PRO  28          2HG   PRO  28   4.933   4.972  12.662
  233   2HG   PRO  28          3HG   PRO  28   3.526   4.000  13.170
  234   1HD   PRO  28          2HD   PRO  28   3.598   6.719  11.955
  235   2HD   PRO  28          3HD   PRO  28   2.361   5.437  11.815
  236    QB   PRO  28           QB   PRO  28   4.542   5.286  15.040
  237    QG   PRO  28           QG   PRO  28   4.229   4.486  12.916
  238    QD   PRO  28           QD   PRO  28   2.980   6.078  11.885
  239    H    SER  29           HN   SER  29   3.444   7.377  17.210
  240    HA   SER  29           HA   SER  29   3.839  10.144  16.902
  241   2HB   SER  29          2HB   SER  29   4.613   8.082  18.946
  242   3HB   SER  29          3HB   SER  29   5.540   9.583  18.962
  243    HG   SER  29           HG   SER  29   2.699   9.502  18.966
  244    QB   SER  29           QB   SER  29   5.076   8.833  18.954
  245    H    GLY  30           HN   GLY  30   5.447  11.415  16.205
  246   1HA   GLY  30          1HA   GLY  30   7.776  11.904  15.769
  247   2HA   GLY  30          2HA   GLY  30   8.053  10.216  15.327
  248    QA   GLY  30           QA   GLY  30   7.915  11.060  15.548
  249    CH2  TRP  31           CH2  TRP  31   7.964   6.620   7.950
  250    H    TRP  31           HN   TRP  31   5.354  10.134  13.847
  251    HA   TRP  31           HA   TRP  31   6.515  11.047  11.306
  252   2HB   TRP  31          2HB   TRP  31   4.186   9.307  12.063
  253   3HB   TRP  31          3HB   TRP  31   4.576   9.798  10.422
  254    HD1  TRP  31           HD1  TRP  31   6.498   7.954  13.265
  255    HE1  TRP  31           HE1  TRP  31   7.919   6.132  12.209
  256    HE3  TRP  31           HE3  TRP  31   5.575   9.025   8.412
  257    HZ2  TRP  31           HZ2  TRP  31   8.743   5.358   9.520
  258    HZ3  TRP  31           HZ3  TRP  31   7.035   8.043   6.622
  259    HH2  TRP  31           HH2  TRP  31   8.581   6.176   7.182
  260    QB   TRP  31           QB   TRP  31   4.381   9.552  11.243
  261    H    ASN  32           HN   ASN  32   5.735  12.727  10.028
  262    HA   ASN  32           HA   ASN  32   3.473  14.342  11.028
  263   2HB   ASN  32          2HB   ASN  32   5.459  15.507  10.078
  264   3HB   ASN  32          3HB   ASN  32   5.212  14.708   8.504
  265   1HD2  ASN  32          1HD2  ASN  32   4.642  16.518   7.260
  266   2HD2  ASN  32          2HD2  ASN  32   3.213  17.478   7.611
  267    QB   ASN  32           QB   ASN  32   5.335  15.108   9.291
  268    QD2  ASN  32           QD2  ASN  32   3.928  16.998   7.436
  269    H    ASN  33           HN   ASN  33   1.465  14.478   9.811
  270    HA   ASN  33           HA   ASN  33   0.780  11.999   8.458
  271   2HB   ASN  33          2HB   ASN  33  -0.695  13.716   9.907
  272   3HB   ASN  33          3HB   ASN  33  -1.048  14.381   8.309
  273   1HD2  ASN  33          1HD2  ASN  33  -1.925  12.696   6.611
  274   2HD2  ASN  33          2HD2  ASN  33  -2.770  11.327   7.266
  275    QB   ASN  33           QB   ASN  33  -0.872  14.049   9.108
  276    QD2  ASN  33           QD2  ASN  33  -2.348  12.012   6.938
  277    H    CYS  34           HN   CYS  34  -0.132  11.855   6.075
  278    HA   CYS  34           HA   CYS  34   0.240  14.321   4.579
  279   2HB   CYS  34          2HB   CYS  34   2.004  11.966   4.216
  280   3HB   CYS  34          3HB   CYS  34   1.158  12.457   2.745
  281    QB   CYS  34           QB   CYS  34   1.581  12.212   3.480
  282    H    GLU  35           HN   GLU  35  -0.796  14.144   2.610
  283    HA   GLU  35           HA   GLU  35  -2.991  12.245   2.347
  284   2HB   GLU  35          2HB   GLU  35  -4.314  13.946   1.173
  285   3HB   GLU  35          3HB   GLU  35  -4.038  14.343   2.866
  286   1HG   GLU  35          2HG   GLU  35  -3.832  16.378   1.809
  287   2HG   GLU  35          3HG   GLU  35  -2.156  15.918   2.057
  288    QB   GLU  35           QB   GLU  35  -4.176  14.144   2.020
  289    QG   GLU  35           QG   GLU  35  -2.994  16.148   1.933
  290    H    GLY  36           HN   GLY  36  -3.116  11.541   0.280
  291   1HA   GLY  36          1HA   GLY  36  -0.988  12.070  -1.683
  292   2HA   GLY  36          2HA   GLY  36  -0.999  10.470  -0.879
  293    QA   GLY  36           QA   GLY  36  -0.993  11.270  -1.281
  294    NH1  ARG  37           NH1  ARG  37  -1.123  16.200  -5.996
  295    NH2  ARG  37           NH2  ARG  37  -2.154  15.845  -3.937
  296    H    ARG  37           HN   ARG  37  -1.506  11.126  -3.701
  297    HA   ARG  37           HA   ARG  37  -4.446  10.636  -3.998
  298   2HB   ARG  37          2HB   ARG  37  -2.453  12.178  -5.679
  299   3HB   ARG  37          3HB   ARG  37  -4.144  11.852  -6.125
  300   1HG   ARG  37          2HG   ARG  37  -4.852  12.842  -3.890
  301   2HG   ARG  37          3HG   ARG  37  -3.183  13.359  -3.633
  302   1HD   ARG  37          2HD   ARG  37  -4.950  14.061  -6.006
  303   2HD   ARG  37          3HD   ARG  37  -4.709  15.107  -4.597
  304    HE   ARG  37           HE   ARG  37  -2.953  14.733  -6.871
  305   1HH1  ARG  37          2HH1  ARG  37  -1.097  16.052  -6.985
  306   2HH1  ARG  37          1HH1  ARG  37  -0.417  16.754  -5.555
  307   1HH2  ARG  37          2HH2  ARG  37  -2.892  15.434  -3.402
  308   2HH2  ARG  37          1HH2  ARG  37  -1.454  16.396  -3.483
  309    QB   ARG  37           QB   ARG  37  -3.299  12.015  -5.902
  310    QG   ARG  37           QG   ARG  37  -4.017  13.101  -3.761
  311    QD   ARG  37           QD   ARG  37  -4.830  14.584  -5.301
  312    QH1  ARG  37           QH1  ARG  37  -0.757  16.403  -6.270
  313    QH2  ARG  37           QH2  ARG  37  -2.173  15.915  -3.442
  314    H    ALA  38           HN   ALA  38  -3.236   8.440  -3.515
  315    HA   ALA  38           HA   ALA  38  -4.010   6.790  -5.656
  316   1HB   ALA  38          3HB   ALA  38  -0.973   6.978  -5.361
  317   2HB   ALA  38          1HB   ALA  38  -1.839   5.739  -6.294
  318   3HB   ALA  38          2HB   ALA  38  -1.901   7.419  -6.810
  319    QB   ALA  38           QB   ALA  38  -1.571   6.712  -6.155
  320    H    ILE  39           HN   ILE  39  -4.681   6.887  -2.945
  321    HA   ILE  39           HA   ILE  39  -3.611   4.360  -1.907
  322    HB   ILE  39           HB   ILE  39  -3.116   5.333   0.296
  323   2HG1  ILE  39          2HG1  ILE  39  -3.539   8.026  -1.065
  324   3HG1  ILE  39          3HG1  ILE  39  -4.487   7.345   0.262
  325   1HG2  ILE  39          2HG2  ILE  39  -1.345   4.980  -1.462
  326   2HG2  ILE  39          3HG2  ILE  39  -1.412   6.726  -1.797
  327   3HG2  ILE  39          1HG2  ILE  39  -0.952   6.135  -0.187
  328   1HD1  ILE  39          1HD1  ILE  39  -2.367   7.348   1.664
  329   2HD1  ILE  39          2HD1  ILE  39  -1.595   8.269   0.350
  330   3HD1  ILE  39          3HD1  ILE  39  -2.984   8.950   1.208
  331    QG1  ILE  39           QG1  ILE  39  -4.013   7.686  -0.401
  332    QG2  ILE  39           QG2  ILE  39  -1.236   5.947  -1.149
  333    QD1  ILE  39           QD1  ILE  39  -2.315   8.189   1.074
  334    H    ILE  40           HN   ILE  40  -4.818   3.487  -0.254
  335    HA   ILE  40           HA   ILE  40  -7.656   4.378  -0.044
  336    HB   ILE  40           HB   ILE  40  -6.301   1.757   0.730
  337   2HG1  ILE  40          2HG1  ILE  40  -6.174   1.941  -1.673
  338   3HG1  ILE  40          3HG1  ILE  40  -7.386   0.752  -1.221
  339   1HG2  ILE  40          3HG2  ILE  40  -9.240   2.537   0.626
  340   2HG2  ILE  40          1HG2  ILE  40  -8.634   0.877   0.815
  341   3HG2  ILE  40          2HG2  ILE  40  -8.290   2.089   2.053
  342   1HD1  ILE  40          3HD1  ILE  40  -9.188   2.429  -1.671
  343   2HD1  ILE  40          1HD1  ILE  40  -7.945   3.598  -2.176
  344   3HD1  ILE  40          2HD1  ILE  40  -8.178   2.101  -3.086
  345    QG1  ILE  40           QG1  ILE  40  -6.780   1.347  -1.447
  346    QG2  ILE  40           QG2  ILE  40  -8.721   1.834   1.165
  347    QD1  ILE  40           QD1  ILE  40  -8.437   2.709  -2.311
  348    H    GLY  41           HN   GLY  41  -4.814   3.337   1.867
  349   1HA   GLY  41          1HA   GLY  41  -5.947   4.223   4.422
  350   2HA   GLY  41          2HA   GLY  41  -4.320   3.599   4.102
  351    QA   GLY  41           QA   GLY  41  -5.134   3.911   4.262
  352    OH   TYR  42           OH   TYR  42  -8.834   9.101   7.635
  353    H    TYR  42           HN   TYR  42  -3.548   5.343   5.431
  354    HA   TYR  42           HA   TYR  42  -3.732   8.119   4.335
  355   2HB   TYR  42          2HB   TYR  42  -3.044   6.984   7.077
  356   3HB   TYR  42          3HB   TYR  42  -2.797   8.664   6.623
  357    HD1  TYR  42           HD1  TYR  42  -4.440  10.180   7.298
  358    HD2  TYR  42           HD2  TYR  42  -5.636   6.127   6.441
  359    HE1  TYR  42           HE1  TYR  42  -6.797  10.759   7.760
  360    HE2  TYR  42           HE2  TYR  42  -7.971   6.719   6.867
  361    HH   TYR  42           HH   TYR  42  -9.439   8.372   7.486
  362    QB   TYR  42           QB   TYR  42  -2.921   7.824   6.850
  363    QB   TYR  42           QB   TYR  42  -2.921   7.824   6.850
  364    H    CYS  43           HN   CYS  43  -1.606   9.356   4.592
  365    HA   CYS  43           HA   CYS  43   0.755   7.630   3.965
  366   2HB   CYS  43          2HB   CYS  43  -0.244   9.044   2.048
  367   3HB   CYS  43          3HB   CYS  43   0.220  10.456   2.984
  368    QB   CYS  43           QB   CYS  43  -0.012   9.750   2.516
  369    H    CYS  44           HN   CYS  44   2.796   8.581   4.928
  370    HA   CYS  44           HA   CYS  44   2.479  10.987   6.569
  371   2HB   CYS  44          2HB   CYS  44   3.392   8.426   7.810
  372   3HB   CYS  44          3HB   CYS  44   3.566  10.006   8.522
  373    QB   CYS  44           QB   CYS  44   3.479   9.216   8.166
  374    H    LYS  45           HN   LYS  45   4.691  11.626   7.524
  375    HA   LYS  45           HA   LYS  45   7.058  10.512   6.160
  376   2HB   LYS  45          2HB   LYS  45   5.711  12.397   4.893
  377   3HB   LYS  45          3HB   LYS  45   6.493  13.505   5.991
  378   1HG   LYS  45          2HG   LYS  45   7.999  11.434   4.312
  379   2HG   LYS  45          3HG   LYS  45   7.419  12.896   3.567
  380   1HD   LYS  45          2HD   LYS  45   9.506  12.688   5.785
  381   2HD   LYS  45          3HD   LYS  45   9.751  13.123   4.095
  382   2HE   LYS  45          2HE   LYS  45   8.427  14.782   6.266
  383   3HE   LYS  45          3HE   LYS  45   9.842  15.172   5.282
  384   1HZ   LYS  45          2HZ   LYS  45   8.393  15.300   3.379
  385   2HZ   LYS  45          3HZ   LYS  45   7.087  14.941   4.293
  386   3HZ   LYS  45          1HZ   LYS  45   7.900  16.335   4.542
  387    QB   LYS  45           QB   LYS  45   6.102  12.951   5.442
  388    QG   LYS  45           QG   LYS  45   7.709  12.165   3.940
  389    QD   LYS  45           QD   LYS  45   9.628  12.906   4.940
  390    QE   LYS  45           QE   LYS  45   9.134  14.977   5.774
  391    QZ   LYS  45           QZ   LYS  45   7.467  15.659   4.386
  392    H    GLN  46           HN   GLN  46   8.469  10.188   7.879
  393    HA   GLN  46           HA   GLN  46   8.238  11.839  10.310
  394   2HB   GLN  46          2HB   GLN  46   9.732  10.305  11.337
  395   3HB   GLN  46          3HB   GLN  46   8.512   9.403  10.448
  396   1HG   GLN  46          2HG   GLN  46  10.181   9.174   8.547
  397   2HG   GLN  46          3HG   GLN  46  11.403   9.854   9.650
  398   1HE2  GLN  46          1HE2  GLN  46  10.821   6.746  11.782
  399   2HE2  GLN  46          2HE2  GLN  46  10.402   8.429  12.064
  400    QB   GLN  46           QB   GLN  46   9.122   9.854  10.892
  401    QG   GLN  46           QG   GLN  46  10.792   9.514   9.099
  402    QE2  GLN  46           QE2  GLN  46  10.611   7.588  11.923
  
  Start of MODEL            8
 Raw file had 402 H/Q atoms
    1   1H    GLY   1          2HN   GLY   1  -0.281   0.488  -0.943
    2   2H    GLY   1          3HN   GLY   1  -0.349  -0.993  -0.204
    3   3H    GLY   1          1HN   GLY   1  -0.391   0.390   0.706
    4   1HA   GLY   1          1HA   GLY   1   1.770  -0.620   0.859
    5   2HA   GLY   1          2HA   GLY   1   1.882  -0.536  -0.916
    6    QA   GLY   1           QA   GLY   1   1.826  -0.578  -0.028
    7    H    ALA   2           HN   ALA   2   3.867   0.755   0.461
    8    HA   ALA   2           HA   ALA   2   3.149   3.657   0.383
    9   1HB   ALA   2          1HB   ALA   2   4.228   2.294   2.515
   10   2HB   ALA   2          2HB   ALA   2   5.698   2.808   1.670
   11   3HB   ALA   2          3HB   ALA   2   4.492   4.011   2.174
   12    QB   ALA   2           QB   ALA   2   4.806   3.038   2.120
   13    H    ALA   3           HN   ALA   3   5.582   4.764   0.019
   14    HA   ALA   3           HA   ALA   3   6.211   4.155  -2.725
   15   1HB   ALA   3          3HB   ALA   3   7.519   6.058  -0.780
   16   2HB   ALA   3          1HB   ALA   3   7.893   5.921  -2.512
   17   3HB   ALA   3          2HB   ALA   3   6.274   6.436  -1.999
   18    QB   ALA   3           QB   ALA   3   7.229   6.138  -1.764
   19    H    CYS   4           HN   CYS   4   7.997   3.021  -3.485
   20    HA   CYS   4           HA   CYS   4  10.181   2.193  -1.635
   21   2HB   CYS   4          2HB   CYS   4  10.210  -0.017  -2.998
   22   3HB   CYS   4          3HB   CYS   4   9.031   0.254  -1.735
   23    QB   CYS   4           QB   CYS   4   9.620   0.119  -2.366
   24    H    LEU   5           HN   LEU   5  12.081   1.489  -2.670
   25    HA   LEU   5           HA   LEU   5  12.997   3.131  -4.797
   26   2HB   LEU   5          2HB   LEU   5  14.438   0.581  -4.190
   27   3HB   LEU   5          3HB   LEU   5  15.045   2.170  -4.621
   28    HG   LEU   5           HG   LEU   5  14.020   1.235  -1.926
   29   1HD1  LEU   5          2HD1  LEU   5  16.330   0.533  -2.614
   30   2HD1  LEU   5          3HD1  LEU   5  16.757   2.246  -2.792
   31   3HD1  LEU   5          1HD1  LEU   5  16.323   1.605  -1.203
   32   1HD2  LEU   5          3HD2  LEU   5  14.783   4.017  -2.871
   33   2HD2  LEU   5          1HD2  LEU   5  13.340   3.483  -1.956
   34   3HD2  LEU   5          2HD2  LEU   5  14.909   3.545  -1.163
   35    QB   LEU   5           QB   LEU   5  14.741   1.375  -4.405
   36    QD1  LEU   5           QD1  LEU   5  16.470   1.461  -2.203
   37    QD2  LEU   5           QD2  LEU   5  14.344   3.682  -1.997
   38    QQD  LEU   5           QQD  LEU   5  15.407   2.572  -2.100
   39    H    CYS   6           HN   CYS   6  13.142   2.667  -6.873
   40    HA   CYS   6           HA   CYS   6  11.759   0.353  -8.066
   41   2HB   CYS   6          2HB   CYS   6  11.790   3.303  -8.488
   42   3HB   CYS   6          3HB   CYS   6  12.053   2.407  -9.977
   43    QB   CYS   6           QB   CYS   6  11.922   2.855  -9.233
   44    H    LYS   7           HN   LYS   7  12.638   0.087 -10.560
   45    HA   LYS   7           HA   LYS   7  15.146  -1.134 -10.238
   46   2HB   LYS   7          2HB   LYS   7  13.667  -1.837 -12.010
   47   3HB   LYS   7          3HB   LYS   7  13.732  -0.241 -12.772
   48   1HG   LYS   7          2HG   LYS   7  16.430  -0.898 -12.767
   49   2HG   LYS   7          3HG   LYS   7  15.693  -2.489 -12.773
   50   1HD   LYS   7          2HD   LYS   7  14.681  -2.092 -14.919
   51   2HD   LYS   7          3HD   LYS   7  14.912  -0.342 -14.786
   52   2HE   LYS   7          2HE   LYS   7  16.548  -1.372 -16.353
   53   3HE   LYS   7          3HE   LYS   7  17.300  -0.495 -15.017
   54   1HZ   LYS   7          3HZ   LYS   7  16.980  -3.406 -15.153
   55   2HZ   LYS   7          1HZ   LYS   7  18.365  -2.582 -15.413
   56   3HZ   LYS   7          2HZ   LYS   7  17.681  -2.582 -13.930
   57    QB   LYS   7           QB   LYS   7  13.700  -1.039 -12.391
   58    QG   LYS   7           QG   LYS   7  16.062  -1.694 -12.770
   59    QD   LYS   7           QD   LYS   7  14.797  -1.217 -14.852
   60    QE   LYS   7           QE   LYS   7  16.924  -0.933 -15.685
   61    QZ   LYS   7           QZ   LYS   7  17.697  -3.032 -15.270
   62    H    SER   8           HN   SER   8  14.303   2.109 -11.356
   63    HA   SER   8           HA   SER   8  17.069   2.852 -11.946
   64   2HB   SER   8          2HB   SER   8  15.046   3.783 -13.130
   65   3HB   SER   8          3HB   SER   8  14.636   4.645 -11.629
   66    HG   SER   8           HG   SER   8  16.790   5.544 -11.770
   67    QB   SER   8           QB   SER   8  14.841   4.214 -12.380
   68    H    ASP   9           HN   ASP   9  16.433   1.804  -9.144
   69    HA   ASP   9           HA   ASP   9  16.742   3.849  -7.275
   70   2HB   ASP   9          2HB   ASP   9  16.199   1.577  -6.655
   71   3HB   ASP   9          3HB   ASP   9  17.755   0.991  -7.262
   72    QB   ASP   9           QB   ASP   9  16.977   1.284  -6.958
   73    H    GLY  10           HN   GLY  10  18.774   4.198  -6.039
   74   1HA   GLY  10          1HA   GLY  10  21.354   3.922  -7.232
   75   2HA   GLY  10          2HA   GLY  10  20.783   5.575  -7.496
   76    QA   GLY  10           QA   GLY  10  21.069   4.748  -7.364
   77    HA   PRO  11           HA   PRO  11  22.009   6.256  -3.241
   78   2HB   PRO  11          2HB   PRO  11  20.607   8.476  -2.526
   79   3HB   PRO  11          3HB   PRO  11  21.938   8.501  -3.712
   80   1HG   PRO  11          2HG   PRO  11  18.963   8.421  -4.261
   81   2HG   PRO  11          3HG   PRO  11  20.203   9.452  -5.034
   82   1HD   PRO  11          2HD   PRO  11  19.280   7.105  -6.162
   83   2HD   PRO  11          3HD   PRO  11  20.954   7.686  -6.390
   84    QB   PRO  11           QB   PRO  11  21.272   8.488  -3.119
   85    QG   PRO  11           QG   PRO  11  19.583   8.936  -4.648
   86    QD   PRO  11           QD   PRO  11  20.117   7.396  -6.276
   87    H    ASN  12           HN   ASN  12  21.256   4.413  -2.252
   88    HA   ASN  12           HA   ASN  12  18.594   3.830  -1.444
   89   2HB   ASN  12          2HB   ASN  12  20.406   2.194  -1.540
   90   3HB   ASN  12          3HB   ASN  12  21.296   3.039  -0.270
   91   1HD2  ASN  12          1HD2  ASN  12  20.205   3.127   1.930
   92   2HD2  ASN  12          2HD2  ASN  12  19.261   1.701   2.393
   93    QB   ASN  12           QB   ASN  12  20.851   2.616  -0.905
   94    QD2  ASN  12           QD2  ASN  12  19.733   2.414   2.161
   95    H    THR  13           HN   THR  13  17.886   6.024  -0.756
   96    HA   THR  13           HA   THR  13  17.900   6.183   2.134
   97    HB   THR  13           HB   THR  13  19.996   7.411   1.589
   98    HG1  THR  13           HG1  THR  13  19.398   9.273   2.745
   99   1HG2  THR  13          3HG2  THR  13  19.154   8.274  -0.688
  100   2HG2  THR  13          2HG2  THR  13  18.253   9.501   0.218
  101   3HG2  THR  13          1HG2  THR  13  20.024   9.436   0.324
  102    QG2  THR  13           QG2  THR  13  19.144   9.070  -0.049
  103    NH1  ARG  14           NH1  ARG  14   9.231  10.071   1.966
  104    NH2  ARG  14           NH2  ARG  14   8.122   8.256   2.881
  105    H    ARG  14           HN   ARG  14  16.393   7.966   2.854
  106    HA   ARG  14           HA   ARG  14  14.012   7.768   1.242
  107   2HB   ARG  14          2HB   ARG  14  14.447   7.711   3.883
  108   3HB   ARG  14          3HB   ARG  14  14.166   9.438   3.785
  109   1HG   ARG  14          2HG   ARG  14  12.173   7.749   2.338
  110   2HG   ARG  14          3HG   ARG  14  12.325   7.400   4.056
  111   1HD   ARG  14          2HD   ARG  14  11.872   9.779   4.588
  112   2HD   ARG  14          3HD   ARG  14  11.705  10.132   2.866
  113    HE   ARG  14           HE   ARG  14  10.015   8.248   4.506
  114   1HH1  ARG  14          1HH1  ARG  14   8.482  10.199   1.316
  115   2HH1  ARG  14          2HH1  ARG  14  10.020  10.685   1.947
  116   1HH2  ARG  14          1HH2  ARG  14   7.374   8.386   2.230
  117   2HH2  ARG  14          2HH2  ARG  14   8.081   7.511   3.547
  118    QB   ARG  14           QB   ARG  14  14.307   8.575   3.834
  119    QG   ARG  14           QG   ARG  14  12.249   7.575   3.197
  120    QD   ARG  14           QD   ARG  14  11.788   9.955   3.727
  121    QH1  ARG  14           QH1  ARG  14   9.251  10.442   1.631
  122    QH2  ARG  14           QH2  ARG  14   7.728   7.949   2.888
  123    H    GLY  15           HN   GLY  15  14.295   9.048  -0.638
  124   1HA   GLY  15          1HA   GLY  15  13.728  11.865  -0.278
  125   2HA   GLY  15          2HA   GLY  15  15.410  11.611  -0.777
  126    QA   GLY  15           QA   GLY  15  14.569  11.738  -0.528
  127    H    ASN  16           HN   ASN  16  15.738  10.298  -2.758
  128    HA   ASN  16           HA   ASN  16  13.557  10.675  -4.769
  129   2HB   ASN  16          2HB   ASN  16  15.747  12.139  -4.869
  130   3HB   ASN  16          3HB   ASN  16  16.503  10.660  -5.479
  131   1HD2  ASN  16          2HD2  ASN  16  14.987  12.895  -8.227
  132   2HD2  ASN  16          1HD2  ASN  16  16.002  13.284  -6.849
  133    QB   ASN  16           QB   ASN  16  16.125  11.399  -5.174
  134    QD2  ASN  16           QD2  ASN  16  15.495  13.090  -7.538
  135    H    SER  17           HN   SER  17  14.470   9.039  -6.748
  136    HA   SER  17           HA   SER  17  14.876   6.977  -7.447
  137   2HB   SER  17          2HB   SER  17  16.607   5.849  -6.668
  138   3HB   SER  17          3HB   SER  17  16.850   7.224  -5.618
  139    HG   SER  17           HG   SER  17  16.808   4.968  -4.663
  140    QB   SER  17           QB   SER  17  16.729   6.536  -6.143
  141    H    MET  18           HN   MET  18  13.286   7.190  -4.318
  142    HA   MET  18           HA   MET  18  11.722   4.824  -4.842
  143   2HB   MET  18          2HB   MET  18  11.345   4.719  -2.551
  144   3HB   MET  18          3HB   MET  18  12.961   5.466  -2.668
  145   1HG   MET  18          2HG   MET  18  11.920   7.674  -2.457
  146   2HG   MET  18          3HG   MET  18  10.346   6.890  -2.148
  147   1HE   MET  18          1HE   MET  18   9.792   5.386  -0.161
  148   2HE   MET  18          2HE   MET  18  11.237   4.361  -0.346
  149   3HE   MET  18          3HE   MET  18  10.871   5.099   1.223
  150    QB   MET  18           QB   MET  18  12.153   5.093  -2.609
  151    QG   MET  18           QG   MET  18  11.133   7.282  -2.303
  152    QE   MET  18           QE   MET  18  10.633   4.949   0.239
  153    H    SER  19           HN   SER  19   9.691   4.709  -5.362
  154    HA   SER  19           HA   SER  19   7.717   6.800  -4.932
  155   2HB   SER  19          2HB   SER  19   9.379   6.991  -7.387
  156   3HB   SER  19          3HB   SER  19   7.645   6.927  -7.733
  157    HG   SER  19           HG   SER  19   8.882   8.643  -5.864
  158    QB   SER  19           QB   SER  19   8.512   6.959  -7.560
  159    H    GLY  20           HN   GLY  20   8.664   3.648  -6.078
  160   1HA   GLY  20          1HA   GLY  20   6.235   3.114  -7.572
  161   2HA   GLY  20          2HA   GLY  20   7.468   1.951  -7.061
  162    QA   GLY  20           QA   GLY  20   6.852   2.533  -7.317
  163    H    THR  21           HN   THR  21   4.534   1.722  -6.728
  164    HA   THR  21           HA   THR  21   4.035   2.126  -3.845
  165    HB   THR  21           HB   THR  21   2.358   1.061  -6.125
  166    HG1  THR  21           HG1  THR  21   3.043   3.376  -5.951
  167   1HG2  THR  21          2HG2  THR  21   1.521   1.764  -3.294
  168   2HG2  THR  21          1HG2  THR  21   0.424   1.475  -4.663
  169   3HG2  THR  21          3HG2  THR  21   1.443   0.152  -4.071
  170    QG2  THR  21           QG2  THR  21   1.129   1.130  -4.009
  171    H    ILE  22           HN   ILE  22   4.573   0.453  -2.426
  172    HA   ILE  22           HA   ILE  22   5.546  -2.094  -3.294
  173    HB   ILE  22           HB   ILE  22   4.364  -1.118  -0.726
  174   2HG1  ILE  22          2HG1  ILE  22   6.755  -2.153  -0.003
  175   3HG1  ILE  22          3HG1  ILE  22   7.124  -1.818  -1.688
  176   1HG2  ILE  22          2HG2  ILE  22   5.211  -3.990  -1.229
  177   2HG2  ILE  22          3HG2  ILE  22   4.891  -3.293   0.372
  178   3HG2  ILE  22          1HG2  ILE  22   3.580  -3.432  -0.778
  179   1HD1  ILE  22          1HD1  ILE  22   5.956   0.229   0.274
  180   2HD1  ILE  22          2HD1  ILE  22   7.683   0.000   0.018
  181   3HD1  ILE  22          3HD1  ILE  22   6.668   0.549  -1.326
  182    QG1  ILE  22           QG1  ILE  22   6.939  -1.985  -0.845
  183    QG2  ILE  22           QG2  ILE  22   4.561  -3.572  -0.545
  184    QD1  ILE  22           QD1  ILE  22   6.769   0.259  -0.345
  185    CH2  TRP  23           CH2  TRP  23  -2.362  -2.465  -6.378
  186    H    TRP  23           HN   TRP  23   4.577  -4.044  -3.695
  187    HA   TRP  23           HA   TRP  23   1.643  -4.340  -3.411
  188   2HB   TRP  23          2HB   TRP  23   3.380  -5.078  -5.789
  189   3HB   TRP  23          3HB   TRP  23   1.809  -5.822  -5.471
  190    HD1  TRP  23           HD1  TRP  23   3.337  -2.582  -6.701
  191    HE1  TRP  23           HE1  TRP  23   1.513  -0.956  -7.454
  192    HE3  TRP  23           HE3  TRP  23  -0.759  -5.234  -5.187
  193    HZ2  TRP  23           HZ2  TRP  23  -1.385  -0.778  -7.313
  194    HZ3  TRP  23           HZ3  TRP  23  -3.036  -4.300  -5.462
  195    HH2  TRP  23           HH2  TRP  23  -3.359  -2.066  -6.495
  196    QB   TRP  23           QB   TRP  23   2.595  -5.450  -5.630
  197    H    VAL  24           HN   VAL  24   1.037  -6.264  -2.624
  198    HA   VAL  24           HA   VAL  24   3.070  -7.998  -1.381
  199    HB   VAL  24           HB   VAL  24   0.035  -7.816  -1.203
  200   1HG1  VAL  24          3HG1  VAL  24   1.938  -9.708   0.244
  201   2HG1  VAL  24          1HG1  VAL  24   0.253  -9.405   0.718
  202   3HG1  VAL  24          2HG1  VAL  24   0.602 -10.158  -0.841
  203   1HG2  VAL  24          2HG2  VAL  24   1.364  -5.988  -0.084
  204   2HG2  VAL  24          3HG2  VAL  24   0.473  -7.001   1.062
  205   3HG2  VAL  24          1HG2  VAL  24   2.220  -7.233   0.849
  206    QG1  VAL  24           QG1  VAL  24   0.931  -9.757   0.040
  207    QG2  VAL  24           QG2  VAL  24   1.352  -6.741   0.609
  208    QQG  VAL  24           QQG  VAL  24   1.142  -8.249   0.325
  209    H    PHE  25           HN   PHE  25   0.524  -8.128  -3.889
  210    HA   PHE  25           HA   PHE  25   1.054 -10.975  -4.400
  211   2HB   PHE  25          2HB   PHE  25  -0.827  -8.944  -5.684
  212   3HB   PHE  25          3HB   PHE  25  -0.674 -10.616  -6.211
  213    HD1  PHE  25           HD1  PHE  25  -2.865  -8.631  -4.529
  214    HD2  PHE  25           HD2  PHE  25  -0.706 -12.338  -4.015
  215    HE1  PHE  25           HE1  PHE  25  -4.616  -9.452  -2.986
  216    HE2  PHE  25           HE2  PHE  25  -2.429 -13.118  -2.431
  217    HZ   PHE  25           HZ   PHE  25  -4.396 -11.686  -1.919
  218    QB   PHE  25           QB   PHE  25  -0.751  -9.780  -5.948
  219    QB   PHE  25           QB   PHE  25  -0.751  -9.780  -5.948
  220    H    GLY  26           HN   GLY  26   0.833  -8.252  -6.748
  221   1HA   GLY  26          1HA   GLY  26   3.377  -8.619  -7.946
  222   2HA   GLY  26          2HA   GLY  26   2.121  -9.556  -8.806
  223    QA   GLY  26           QA   GLY  26   2.749  -9.088  -8.376
  224    H    CYS  27           HN   CYS  27   3.022  -7.572 -10.344
  225    HA   CYS  27           HA   CYS  27   1.894  -5.015  -9.610
  226   2HB   CYS  27          2HB   CYS  27   4.035  -5.168 -10.690
  227   3HB   CYS  27          3HB   CYS  27   3.277  -5.827 -12.173
  228    QB   CYS  27           QB   CYS  27   3.656  -5.497 -11.432
  229    HA   PRO  28           HA   PRO  28  -1.902  -5.981 -11.836
  230   2HB   PRO  28          2HB   PRO  28  -3.299  -3.618 -11.394
  231   3HB   PRO  28          3HB   PRO  28  -3.125  -4.954 -10.226
  232   1HG   PRO  28          2HG   PRO  28  -1.717  -2.319 -10.269
  233   2HG   PRO  28          3HG   PRO  28  -2.165  -3.358  -8.892
  234   1HD   PRO  28          2HD   PRO  28   0.387  -3.139 -10.083
  235   2HD   PRO  28          3HD   PRO  28  -0.151  -4.420  -8.961
  236    QB   PRO  28           QB   PRO  28  -3.212  -4.286 -10.810
  237    QG   PRO  28           QG   PRO  28  -1.941  -2.839  -9.580
  238    QD   PRO  28           QD   PRO  28   0.118  -3.780  -9.522
  239    H    SER  29           HN   SER  29  -3.319  -5.039 -13.546
  240    HA   SER  29           HA   SER  29  -1.855  -4.295 -15.835
  241   2HB   SER  29          2HB   SER  29  -4.637  -4.840 -15.182
  242   3HB   SER  29          3HB   SER  29  -4.570  -3.365 -16.142
  243    HG   SER  29           HG   SER  29  -3.400  -4.514 -17.714
  244    QB   SER  29           QB   SER  29  -4.603  -4.102 -15.662
  245    H    GLY  30           HN   GLY  30  -1.326  -2.360 -16.768
  246   1HA   GLY  30          1HA   GLY  30  -1.424  -0.065 -17.167
  247   2HA   GLY  30          2HA   GLY  30  -2.413   0.188 -15.727
  248    QA   GLY  30           QA   GLY  30  -1.919   0.061 -16.447
  249    CH2  TRP  31           CH2  TRP  31   0.608   2.521  -8.085
  250    H    TRP  31           HN   TRP  31  -0.171  -1.708 -14.362
  251    HA   TRP  31           HA   TRP  31   1.604   0.570 -13.629
  252   2HB   TRP  31          2HB   TRP  31   0.692  -1.933 -12.242
  253   3HB   TRP  31          3HB   TRP  31   2.047  -0.920 -11.698
  254    HD1  TRP  31           HD1  TRP  31  -1.739  -0.404 -12.371
  255    HE1  TRP  31           HE1  TRP  31  -2.629   1.123 -10.533
  256    HE3  TRP  31           HE3  TRP  31   2.610   0.364  -9.835
  257    HZ2  TRP  31           HZ2  TRP  31  -1.532   2.574  -8.202
  258    HZ3  TRP  31           HZ3  TRP  31   2.735   2.226  -8.156
  259    HH2  TRP  31           HH2  TRP  31   0.651   3.300  -7.339
  260    QB   TRP  31           QB   TRP  31   1.370  -1.426 -11.970
  261    H    ASN  32           HN   ASN  32   3.914  -0.096 -13.160
  262    HA   ASN  32           HA   ASN  32   4.924  -2.159 -15.049
  263   2HB   ASN  32          2HB   ASN  32   6.462  -0.770 -16.014
  264   3HB   ASN  32          3HB   ASN  32   4.987   0.184 -15.981
  265   1HD2  ASN  32          1HD2  ASN  32   8.414   1.422 -14.082
  266   2HD2  ASN  32          2HD2  ASN  32   8.286  -0.149 -14.830
  267    QB   ASN  32           QB   ASN  32   5.725  -0.293 -15.998
  268    QD2  ASN  32           QD2  ASN  32   8.350   0.637 -14.456
  269    H    ASN  33           HN   ASN  33   6.094  -3.600 -14.126
  270    HA   ASN  33           HA   ASN  33   6.460  -4.052 -11.480
  271   2HB   ASN  33          2HB   ASN  33   6.787  -5.520 -13.675
  272   3HB   ASN  33          3HB   ASN  33   8.487  -5.120 -13.454
  273   1HD2  ASN  33          2HD2  ASN  33   5.639  -6.248 -11.501
  274   2HD2  ASN  33          1HD2  ASN  33   6.546  -7.509 -10.682
  275    QB   ASN  33           QB   ASN  33   7.637  -5.320 -13.564
  276    QD2  ASN  33           QD2  ASN  33   6.093  -6.878 -11.092
  277    H    CYS  34           HN   CYS  34   8.153  -3.686  -9.753
  278    HA   CYS  34           HA   CYS  34  10.606  -2.414 -10.725
  279   2HB   CYS  34          2HB   CYS  34   8.543  -1.009  -9.086
  280   3HB   CYS  34          3HB   CYS  34  10.170  -1.036  -8.414
  281    QB   CYS  34           QB   CYS  34   9.356  -1.023  -8.750
  282    H    GLU  35           HN   GLU  35  12.246  -2.774  -9.446
  283    HA   GLU  35           HA   GLU  35  11.987  -4.624  -7.146
  284   2HB   GLU  35          2HB   GLU  35  13.864  -5.904  -7.952
  285   3HB   GLU  35          3HB   GLU  35  12.591  -5.842  -9.181
  286   1HG   GLU  35          2HG   GLU  35  13.939  -4.026 -10.348
  287   2HG   GLU  35          3HG   GLU  35  15.244  -4.379  -9.196
  288    QB   GLU  35           QB   GLU  35  13.227  -5.873  -8.566
  289    QG   GLU  35           QG   GLU  35  14.592  -4.202  -9.772
  290    H    GLY  36           HN   GLY  36  12.743  -3.628  -5.410
  291   1HA   GLY  36          1HA   GLY  36  14.762  -1.410  -5.634
  292   2HA   GLY  36          2HA   GLY  36  13.332  -1.406  -4.569
  293    QA   GLY  36           QA   GLY  36  14.047  -1.408  -5.102
  294    NH1  ARG  37           NH1  ARG  37  21.850  -3.325  -7.511
  295    NH2  ARG  37           NH2  ARG  37  20.094  -4.763  -7.030
  296    H    ARG  37           HN   ARG  37  16.264  -1.318  -3.888
  297    HA   ARG  37           HA   ARG  37  16.461  -3.867  -2.388
  298   2HB   ARG  37          2HB   ARG  37  18.549  -1.676  -2.627
  299   3HB   ARG  37          3HB   ARG  37  18.740  -3.366  -2.123
  300   1HG   ARG  37          2HG   ARG  37  17.805  -3.833  -4.609
  301   2HG   ARG  37          3HG   ARG  37  18.372  -2.172  -4.874
  302   1HD   ARG  37          2HD   ARG  37  20.507  -3.270  -3.503
  303   2HD   ARG  37          3HD   ARG  37  19.930  -4.694  -4.351
  304    HE   ARG  37           HE   ARG  37  21.123  -2.188  -5.390
  305   1HH1  ARG  37          1HH1  ARG  37  22.010  -3.803  -8.375
  306   2HH1  ARG  37          2HH1  ARG  37  22.428  -2.551  -7.254
  307   1HH2  ARG  37          2HH2  ARG  37  19.364  -5.061  -6.415
  308   2HH2  ARG  37          1HH2  ARG  37  20.248  -5.245  -7.892
  309    QB   ARG  37           QB   ARG  37  18.645  -2.521  -2.375
  310    QG   ARG  37           QG   ARG  37  18.088  -3.003  -4.741
  311    QD   ARG  37           QD   ARG  37  20.219  -3.982  -3.927
  312    QH1  ARG  37           QH1  ARG  37  22.219  -3.177  -7.814
  313    QH2  ARG  37           QH2  ARG  37  19.806  -5.153  -7.153
  314    H    ALA  38           HN   ALA  38  14.480  -2.620  -1.310
  315    HA   ALA  38           HA   ALA  38  15.331  -2.271   1.423
  316   1HB   ALA  38          3HB   ALA  38  16.005  -0.005   0.681
  317   2HB   ALA  38          1HB   ALA  38  14.369   0.270   0.049
  318   3HB   ALA  38          2HB   ALA  38  14.634   0.081   1.788
  319    QB   ALA  38           QB   ALA  38  15.003   0.115   0.839
  320    H    ILE  39           HN   ILE  39  13.541  -4.051   0.297
  321    HA   ILE  39           HA   ILE  39  11.075  -3.441   1.687
  322    HB   ILE  39           HB   ILE  39   9.694  -4.011  -0.381
  323   2HG1  ILE  39          2HG1  ILE  39  12.211  -3.164  -1.882
  324   3HG1  ILE  39          3HG1  ILE  39  11.616  -4.832  -1.769
  325   1HG2  ILE  39          2HG2  ILE  39   9.929  -1.696   0.646
  326   2HG2  ILE  39          3HG2  ILE  39  11.047  -1.328  -0.692
  327   3HG2  ILE  39          1HG2  ILE  39   9.373  -1.813  -1.019
  328   1HD1  ILE  39          3HD1  ILE  39   9.488  -4.111  -2.858
  329   2HD1  ILE  39          1HD1  ILE  39  10.175  -2.475  -3.020
  330   3HD1  ILE  39          2HD1  ILE  39  10.924  -3.837  -3.870
  331    QG1  ILE  39           QG1  ILE  39  11.913  -3.998  -1.826
  332    QG2  ILE  39           QG2  ILE  39  10.116  -1.612  -0.355
  333    QD1  ILE  39           QD1  ILE  39  10.196  -3.474  -3.249
  334    H    ILE  40           HN   ILE  40   9.561  -5.342   1.346
  335    HA   ILE  40           HA   ILE  40  11.112  -7.886   1.532
  336    HB   ILE  40           HB   ILE  40   8.396  -7.124   2.696
  337   2HG1  ILE  40          2HG1  ILE  40   9.624  -7.410   4.900
  338   3HG1  ILE  40          3HG1  ILE  40  11.147  -7.309   4.013
  339   1HG2  ILE  40          1HG2  ILE  40   8.744  -9.590   2.178
  340   2HG2  ILE  40          2HG2  ILE  40  10.112  -9.556   3.309
  341   3HG2  ILE  40          3HG2  ILE  40   8.466  -9.203   3.875
  342   1HD1  ILE  40          2HD1  ILE  40   9.131  -5.093   3.617
  343   2HD1  ILE  40          3HD1  ILE  40   9.956  -5.198   5.179
  344   3HD1  ILE  40          1HD1  ILE  40  10.910  -5.013   3.705
  345    QG1  ILE  40           QG1  ILE  40  10.385  -7.359   4.457
  346    QG2  ILE  40           QG2  ILE  40   9.107  -9.450   3.121
  347    QD1  ILE  40           QD1  ILE  40   9.999  -5.101   4.167
  348    H    GLY  41           HN   GLY  41   7.942  -6.542   0.483
  349   1HA   GLY  41          1HA   GLY  41   7.312  -8.846  -1.196
  350   2HA   GLY  41          2HA   GLY  41   6.383  -7.354  -0.989
  351    QA   GLY  41           QA   GLY  41   6.847  -8.100  -1.092
  352    OH   TYR  42           OH   TYR  42   6.560 -12.723  -4.447
  353    H    TYR  42           HN   TYR  42   6.044  -6.758  -3.122
  354    HA   TYR  42           HA   TYR  42   8.417  -6.578  -4.946
  355   2HB   TYR  42          2HB   TYR  42   5.489  -6.791  -5.701
  356   3HB   TYR  42          3HB   TYR  42   6.899  -6.984  -6.740
  357    HD1  TYR  42           HD1  TYR  42   4.853  -8.544  -4.041
  358    HD2  TYR  42           HD2  TYR  42   8.073  -9.157  -6.845
  359    HE1  TYR  42           HE1  TYR  42   4.980 -10.923  -3.382
  360    HE2  TYR  42           HE2  TYR  42   8.082 -11.569  -6.290
  361    HH   TYR  42           HH   TYR  42   7.188 -13.233  -4.961
  362    QB   TYR  42           QB   TYR  42   6.194  -6.887  -6.220
  363    QB   TYR  42           QB   TYR  42   6.194  -6.887  -6.220
  364    H    CYS  43           HN   CYS  43   8.396  -4.598  -6.344
  365    HA   CYS  43           HA   CYS  43   6.812  -2.336  -5.141
  366   2HB   CYS  43          2HB   CYS  43   9.402  -2.293  -5.062
  367   3HB   CYS  43          3HB   CYS  43   9.346  -2.186  -6.800
  368    QB   CYS  43           QB   CYS  43   9.374  -2.240  -5.931
  369    H    CYS  44           HN   CYS  44   5.536  -1.148  -6.773
  370    HA   CYS  44           HA   CYS  44   6.219  -1.713  -9.567
  371   2HB   CYS  44          2HB   CYS  44   4.317  -3.368  -8.897
  372   3HB   CYS  44          3HB   CYS  44   3.276  -1.910  -8.958
  373    QB   CYS  44           QB   CYS  44   3.796  -2.639  -8.927
  374    H    LYS  45           HN   LYS  45   5.860   0.065 -10.941
  375    HA   LYS  45           HA   LYS  45   4.980   2.500  -9.436
  376   2HB   LYS  45          2HB   LYS  45   7.367   2.132 -10.688
  377   3HB   LYS  45          3HB   LYS  45   6.411   2.705 -12.033
  378   1HG   LYS  45          2HG   LYS  45   5.710   4.534 -10.035
  379   2HG   LYS  45          3HG   LYS  45   7.337   4.078  -9.565
  380   1HD   LYS  45          2HD   LYS  45   7.495   6.017 -10.879
  381   2HD   LYS  45          3HD   LYS  45   8.142   4.724 -11.883
  382   2HE   LYS  45          2HE   LYS  45   5.197   5.533 -12.091
  383   3HE   LYS  45          3HE   LYS  45   6.424   6.577 -12.790
  384   1HZ   LYS  45          2HZ   LYS  45   7.166   4.795 -14.161
  385   2HZ   LYS  45          3HZ   LYS  45   6.056   3.773 -13.538
  386   3HZ   LYS  45          1HZ   LYS  45   5.575   5.069 -14.408
  387    QB   LYS  45           QB   LYS  45   6.889   2.418 -11.361
  388    QG   LYS  45           QG   LYS  45   6.523   4.306  -9.800
  389    QD   LYS  45           QD   LYS  45   7.819   5.371 -11.381
  390    QE   LYS  45           QE   LYS  45   5.811   6.055 -12.441
  391    QZ   LYS  45           QZ   LYS  45   5.818   4.396 -14.012
  392    H    GLN  46           HN   GLN  46   3.580   3.984 -10.471
  393    HA   GLN  46           HA   GLN  46   1.457   2.799 -11.905
  394   2HB   GLN  46          2HB   GLN  46   1.914   5.124 -10.428
  395   3HB   GLN  46          3HB   GLN  46   1.646   5.780 -12.038
  396   1HG   GLN  46          2HG   GLN  46  -0.556   4.856 -12.150
  397   2HG   GLN  46          3HG   GLN  46  -0.241   3.746 -10.814
  398   1HE2  GLN  46          1HE2  GLN  46  -1.839   6.633 -11.480
  399   2HE2  GLN  46          2HE2  GLN  46  -1.826   7.263  -9.842
  400    QB   GLN  46           QB   GLN  46   1.780   5.452 -11.233
  401    QG   GLN  46           QG   GLN  46  -0.398   4.301 -11.482
  402    QE2  GLN  46           QE2  GLN  46  -1.832   6.948 -10.661