*HEADER   NEUROTOXIN                              30-APR-92   1NTX    
*COMPND   ALPHA-NEUROTOXIN (NMR, 20 STRUCTURES)                       
*SOURCE   BLACK MAMBA (DENDROASPIS POLYLEPIS POLYLEPIS)               
*AUTHOR   L.R.BROWN,K.WUTHRICH                                        
*REVDAT  1   31-JAN-94 1NTX    0                                      

REMARK   1                                                              1NTX   8
REMARK   1 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION   1NTX   9
REMARK   1 OF THE THREE-DIMENSIONAL STRUCTURE OF THE ALPHA-NEUROTOXIN   1NTX  10
REMARK   1 BY NUCLEAR MAGNETIC RESONANCE IN SOLUTION.                   1NTX  11
REMARK   1 THE DIFFERENT KINDS OF DATA TOGETHER WITH THE CORRESPONDING  1NTX  12
REMARK   1 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE. SEE     1NTX  13
REMARK   1 REMARK 2 FOR THE DETAILS.                                    1NTX  14
REMARK   1                                                              1NTX  15
REMARK   1 RECORD CONTENT                                     UNIT      1NTX  16
REMARK   1 ------ ------------------------------------------- --------- 1NTX  17
REMARK   1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED PROTONS     PPM       1NTX  18
REMARK   1 JCOUPL VICINAL 1H-1H SCALAR COUPLING CONSTANTS     HERTZ     1NTX  19
REMARK   1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1NTX  20
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            1NTX  21
REMARK   1 SSUPP  UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1NTX  24
REMARK   1        FOR DISULPHIDE BRIDGES                                1NTX  25
REMARK   1 SSLOW  LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1NTX  31
REMARK   1        FOR DISULPHIDE BRIDGES                                1NTX  32
REMARK   1 ANGLE  TORSION ANGLE CONSTRAINTS IN THE FORM OF    DEGREES   1NTX  33
REMARK   1        AN ALLOWED INTERVAL                                   1NTX  34
REMARK   1                                                              1NTX  35
REMARK   1 ALL EXPERIMENTAL INPUT DATA (EXCEPT THE AMINO ACID SEQUENCE) 1NTX  36
REMARK   1 FOR THE DISTANCE GEOMETRY CALCULATIONS WITH THE PROGRAM      1NTX  37
REMARK   1 DIANA AND REFINEMENT WITH AMBER IS GIVEN IN THE RECORDS      1NTX  38
REMARK   1 NOEUPP,SSUPP,SSLOW AND ANGLE.                                1NTX  39
REMARK   2                                                              1NTX  40
REMARK   2                                                              1NTX  41
REMARK   2 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE        1NTX  42
REMARK   2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE     1NTX  43
REMARK   2 MASTER RECORD.                                               1NTX  44
REMARK   2                                                              1NTX  45
REMARK   2 RECORD CONTENTS (FORTRAN FORMAT)                             1NTX  46
REMARK   2 ------ ----------------------------------------------------- 1NTX  47
REMARK   2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL     1NTX  48
REMARK   2        SHIFT(S), ATOM NAME, CHEMICAL SHIFT(S), ATOM NAME,    1NTX  49
REMARK   2        CHEMICAL SHIFT(S)                                     1NTX  50
REMARK   2        ('SHIFTS',2X,A4,I4,2X,3(A4,2F6.2,2X))                 1NTX  51
REMARK   2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM   1NTX  52
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      1NTX  53
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      1NTX  54
REMARK   2        NAME, J-COUPLING CONSTANT                             1NTX  55
REMARK   2        ('JCOUPL',2X,A4,I4,2X,3(A4,1X,A4,F6.2,3X))            1NTX  56
REMARK   2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM  1NTX  57
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     1NTX  58
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM    1NTX  59
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     1NTX  60
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT                1NTX  61
REMARK   2        ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))   1NTX  62
REMARK   2 SSUPP  SIMILAR TO NOEUPP                                     1NTX  64
REMARK   2 SSLOW  SIMILAR TO NOELOW                                     1NTX  67
REMARK   2 ANGLE  RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND   1NTX  68
REMARK   2        UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND        1NTX  69
REMARK   2        ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X))                  1NTX  70
REMARK   2 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS,   1NTX  71
REMARK   2        NUMBER OF SHIFTS RECORDS, NUMBER OF JCOUPL RECORDS,   1NTX  72
REMARK   2        NUMBER OF NOEUPP, HBUPP AND SSUPP RECORDS, NUMBER OF  1NTX  73
REMARK   2        NOELOW, HBLOW AND SSLOW RECORDS, NUMBER OF ANGLE      1NTX  74
REMARK   2        RECORDS                                               1NTX  75
REMARK   2        ('MASTER',4X,7I5)                                     1NTX  76
REMARK   3                                                              1NTX  77
REMARK   3 ATOM NAMES HAVE BEEN ASSIGNED FOLLOWING THE RECOMMENDATIONS  1NTX  78
REMARK   3 OF THE IUPAC-IUB COMMISSION AS PUBLISHED IN BIOCHEMISTRY     1NTX  79
REMARK   3 (1970) VOL. 9, 3471-3479, EXCEPT THAT BACKBONE AMIDE         1NTX  80
REMARK   3 HYDROGENS ARE DENOTED BY HN INSTEAD OF H. THE HYDROGEN ATOM  1NTX  81
REMARK   3 NUMBERS OF THOSE HYDROGEN ATOMS WHICH ARE CONNECTED TO THE   1NTX  82
REMARK   3 SAME NON-HYDROGEN ATOM ARE WRITTEN AS THE FIRST CHARACTER    1NTX  83
REMARK   3 RATHER THAN THE LAST CHARACTER OF THE ATOM NAMES.            1NTX  84
REMARK   3 THEY ARE IDENTICAL WITH THE ATOM NAMES USED IN THE CO-       1NTX  85
REMARK   3 ORDINATE FILE 1NTX.                                          1NTX  86
REMARK   4                                                              1NTX  87
REMARK   4 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE     1NTX  88
REMARK   4 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS                1NTX  89
REMARK   4 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983)    1NTX  90
REMARK   4 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL     1NTX  91
REMARK   4 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR     1NTX  92
REMARK   4 WHICH NO STEREOSPECIFIC ASSIGNMENTS HAD BEEN OBTAINED.       1NTX  93
REMARK   4 FOR ALL METHYLENE GROUPS, EVEN IN CASE OF IDENTICAL SHIFTS,  1NTX  94
REMARK   4 TWO CHEMICAL SHIFTS ARE LISTED FOR THE TWO PROTONS.          1NTX  95
REMARK   4 TWO CHEMICAL SHIFTS ARE ALSO ALWAYS GIVEN FOR THE TWO        1NTX  96
REMARK   4 METHYLS IN THE ISOPROPYL GROUPS.                             1NTX  97
REMARK   5                                                              1NTX  98
REMARK   5 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE         1NTX  99
REMARK   5 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN         1NTX 100
REMARK   5 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ...         1NTX 101
REMARK   5 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF    1NTX 102
REMARK   5 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS  1NTX 103
REMARK   5 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE      1NTX 104
REMARK   5 HYDROGEN  ATOMS ARE ATTACHED.                                1NTX 105
REMARK   5 QQG AND QQD DENOTE THE PSEUDO-ATOMS FOR THE 6 HYDROGEN       1NTX 106
REMARK   5 ATOMS OF THE ISOPROPYL METHYL GROUPS OF VAL AND LEU, RESPEC- 1NTX 107
REMARK   5 TIVELY. QR IS THE PSEUDO-ATOM FOR THE DELTA AND EPSILON      1NTX 108
REMARK   5 HYDROGENS OF THE AROMATIC RINGS OF TYR AND PHE. WHERE THE    1NTX 109
REMARK   5 DELTA AND EPSILON HYDROGENS OF THE AROMATIC RINGS HAVE BEEN  1NTX 110
REMARK   5 INDIVIDUALLY IDENTIFIED BUT ARE DEGENERATE IN THE ONE AND    1NTX 111
REMARK   5 TWO POSITIONS, THE CHEMICAL SHIFTS WERE LISTED UNDER CG AND  1NTX 112
REMARK   5 CZ RESPECTIVELY.                                             1NTX 113
REMARK   5                                                              1NTX 113
SHIFTS  ARG    1   HA   4.20        2HB   2.09        3HB   1.98        1NTX   8
SHIFTS  ARG    1  2HG   1.48        3HG   1.44        2HD   3.52        1NTX   9
SHIFTS  ARG    1  3HD   3.03         HE   6.73                          1NTX  10
SHIFTS  ILE    2   HN   8.64         HA   4.83         HB   1.54        1NTX  11
SHIFTS  ILE    2   QG2  0.69        2HG1  1.50        3HG1  1.22        1NTX  12
SHIFTS  ILE    2   QD1  0.76                                            1NTX  13
SHIFTS  CYS    3   HN   8.71         HA   5.22        2HB   2.30        1NTX  14
SHIFTS  CYS    3  3HB   3.03                                            1NTX  15
SHIFTS  TYR    4   HN   9.41         HA   5.30        2HB   2.58        1NTX  16
SHIFTS  TYR    4  3HB   3.90         CG   7.32         CZ   6.98        1NTX  17
SHIFTS  ASN    5   HN   9.04         HA   4.84        2HB   3.13        1NTX  18
SHIFTS  ASN    5  3HB   2.08        1HD2  7.51        2HD2  6.86        1NTX  19
SHIFTS  HIS    6   HN   9.27         HA   4.77        2HB   3.13        1NTX  20
SHIFTS  HIS    6  3HB   3.49         HD2  6.84         HE1  6.70        1NTX  21
SHIFTS  GLN    7   HN   8.43         HA   4.76        2HB   2.23        1NTX  22
SHIFTS  GLN    7  3HB   2.14         QG   2.57        1HE2  7.44        1NTX  23
SHIFTS  GLN    7  2HE2  6.91                                            1NTX  24
SHIFTS  SER    8   HN   9.35         HA   4.07         QB   4.16        1NTX  25
SHIFTS  THR    9   HN   8.02         HA   4.71         HB   4.61        1NTX  26
SHIFTS  THR    9   QG2  1.19                                            1NTX  27
SHIFTS  THR   10   HN   7.73         HA   4.43         HB   4.53        1NTX  28
SHIFTS  THR   10   QG2  1.39                                            1NTX  29
SHIFTS  ARG   11   HN   7.97         HA   3.99        2HB   1.78        1NTX  30
SHIFTS  ARG   11  3HB   1.65         QG   1.66         QD   3.23        1NTX  31
SHIFTS  ARG   11   HE   7.18                                            1NTX  32
SHIFTS  ALA   12   HN   7.83         HA   2.28         QB   1.11        1NTX  33
SHIFTS  THR   13   HN   7.48         HA   4.73         HB   4.52        1NTX  34
SHIFTS  THR   13   QG2  1.24                                            1NTX  35
SHIFTS  THR   14   HN   8.26         HA   5.25         HB   3.81        1NTX  36
SHIFTS  THR   14   QG2  0.60                                            1NTX  37
SHIFTS  LYS   15   HN   8.84         HA   4.64        2HB   1.81        1NTX  38
SHIFTS  LYS   15  3HB   1.59         QG   1.31         QD   1.71        1NTX  39
SHIFTS  LYS   15  2HE   3.15        3HE   3.08                          1NTX  40
SHIFTS  SER   16   HN   8.31         HA   4.89        2HB   3.85        1NTX  41
SHIFTS  SER   16  3HB   3.77                                            1NTX  42
SHIFTS  CYS   17   HN   9.18         HA   5.05        2HB   2.88        1NTX  43
SHIFTS  CYS   17  3HB   3.60                                            1NTX  44
SHIFTS  GLU   20   HN   9.04         HA   4.30        2HB   2.12        1NTX  45
SHIFTS  GLU   20  3HB   1.99        2HG   2.47        3HG   2.42        1NTX  46
SHIFTS  GLU   21   HN   9.05         HA   4.24        2HB   2.08        1NTX  47
SHIFTS  GLU   21  3HB   2.30        2HG   2.49        3HG   2.43        1NTX  48
SHIFTS  ASN   22   HN   8.29         HA   4.65         QB   2.87        1NTX  49
SHIFTS  ASN   22  1HD2  7.60        2HD2  7.03                          1NTX  50
SHIFTS  SER   23   HN   7.32         HA   5.49        2HB   3.63        1NTX  51
SHIFTS  SER   23  3HB   3.84                                            1NTX  52
SHIFTS  CYS   24   HN   9.15         HA   5.69        2HB   2.71        1NTX  53
SHIFTS  CYS   24  3HB   3.47                                            1NTX  54
SHIFTS  TYR   25   HN   8.62         HA   6.18        2HB   2.88        1NTX  55
SHIFTS  TYR   25  3HB   3.84         CG   6.80         CZ   6.60        1NTX  56
SHIFTS  LYS   26   HN   8.91         HA   5.10        2HB   1.68        1NTX  57
SHIFTS  LYS   26  3HB   1.93        2HG   1.27        3HG   1.16        1NTX  58
SHIFTS  LYS   26   QD   1.54        2HE   2.69        3HE   2.61        1NTX  59
SHIFTS  LYS   27   HN  10.04         HA   5.59        2HB   2.01        1NTX  60
SHIFTS  LYS   27  3HB   1.92         QG   1.48         QD   1.54        1NTX  61
SHIFTS  LYS   27   QE   2.57                                            1NTX  62
SHIFTS  TYR   28   HN   8.81         HA   5.91        2HB   2.81        1NTX  63
SHIFTS  TYR   28  3HB   2.90         CG   6.85         CZ   6.63        1NTX  64
SHIFTS  TRP   29   HN   8.85         HA   5.06        2HB   3.38        1NTX  65
SHIFTS  TRP   29  3HB   3.61         HD1  7.02         HE3  7.32        1NTX  66
SHIFTS  TRP   29   HE1 10.29         HZ3  6.82         HZ2  7.44        1NTX  67
SHIFTS  TRP   29   HH2  7.18                                            1NTX  68
SHIFTS  ARG   30   HN   8.48         HA   5.01        2HB   1.86        1NTX  69
SHIFTS  ARG   30  3HB   1.74         QG   1.62         QD   3.18        1NTX  70
SHIFTS  ARG   30   HE   7.10                                            1NTX  71
SHIFTS  ASP   31   HN   8.52         HA   4.86        2HB   3.09        1NTX  72
SHIFTS  ASP   31  3HB   2.81                                            1NTX  73
SHIFTS  HIS   32   HN   8.74         HA   4.43        2HB   3.38        1NTX  74
SHIFTS  HIS   32  3HB   3.36         HD2  7.38         HE1  8.63        1NTX  75
SHIFTS  ARG   33   HN   8.66         HA   4.27         QB   1.89        1NTX  76
SHIFTS  ARG   33  2HG   1.59        3HG   1.40        2HD   3.23        1NTX  77
SHIFTS  ARG   33  3HD   3.16         HE   7.41                          1NTX  78
SHIFTS  GLY   34   HN   7.89        1HA   4.28        2HA   3.90        1NTX  79
SHIFTS  THR   35   HN   8.30         HA   4.57         HB   3.93        1NTX  80
SHIFTS  THR   35   QG2  1.10                                            1NTX  81
SHIFTS  ILE   36   HN   8.89         HA   3.93         HB   0.33        1NTX  82
SHIFTS  ILE   36   QG2  0.35        2HG1  0.99        3HG1  0.81        1NTX  83
SHIFTS  ILE   36   QD1  0.49                                            1NTX  84
SHIFTS  ILE   37   HN   7.46         HA   5.11         HB   1.37        1NTX  85
SHIFTS  ILE   37   QG2  0.70         QG1  1.46         QD1  0.88        1NTX  86
SHIFTS  GLU   38   HN   9.36         HA   4.80        2HB   2.28        1NTX  87
SHIFTS  GLU   38  3HB   2.22         QG   2.55                          1NTX  88
SHIFTS  ARG   39   HN   8.31         HA   4.86        2HB   1.17        1NTX  89
SHIFTS  ARG   39  3HB   1.41         QG   1.48        2HD   2.40        1NTX  90
SHIFTS  ARG   39  3HD   2.99         HE   6.81                          1NTX  91
SHIFTS  GLY   40   HN   6.25         QA   3.85                          1NTX  92
SHIFTS  CYS   41   HN   8.57         HA   5.15        2HB   3.53        1NTX  93
SHIFTS  CYS   41  3HB   2.95                                            1NTX  94
SHIFTS  GLY   42   HN   9.04        1HA   3.49        2HA   4.14        1NTX  95
SHIFTS  CYS   43   HN   8.08         HA   5.08        2HB   2.93        1NTX  96
SHIFTS  CYS   43  3HB   2.74                                            1NTX  97
SHIFTS  PRO   44   HA   4.34        2HB   1.62        3HB   1.97        1NTX  98
SHIFTS  PRO   44   QG   0.94        2HD   2.93        3HD   2.83        1NTX  99
SHIFTS  LYS   45   HN   7.84         HA   4.22        2HB   1.72        1NTX 100
SHIFTS  LYS   45  3HB   1.65         QG   1.50         QD   1.41        1NTX 101
SHIFTS  LYS   45   QE   3.00         QZ   7.47                          1NTX 102
SHIFTS  VAL   46   HN   8.06         HA   4.49         HB   2.05        1NTX 103
SHIFTS  VAL   46   QG1  0.73         QG2  0.68                          1NTX 104
SHIFTS  LYS   47   HN   7.79         HA   4.47        2HB   1.79        1NTX 105
SHIFTS  LYS   47  3HB   1.59         QG   1.42         QE   2.91        1NTX 106
SHIFTS  PRO   48   HA   4.34        2HB   2.34        3HB   1.85        1NTX 107
SHIFTS  PRO   48  2HG   2.14        3HG   2.02        2HD   3.57        1NTX 108
SHIFTS  PRO   48  3HD   3.83                                            1NTX 109
SHIFTS  GLY   49   HN   8.63        1HA   4.34        2HA   3.68        1NTX 110
SHIFTS  VAL   50   HN   7.74         HA   4.21         HB   2.09        1NTX 111
SHIFTS  VAL   50   QG1  0.83         QG2  0.60                          1NTX 112
SHIFTS  GLY   51   HN   8.59        1HA   2.94        2HA   4.21        1NTX 113
SHIFTS  ILE   52   HN   8.27         HA   5.33         HB   1.72        1NTX 114
SHIFTS  ILE   52   QG2  0.90        2HG1  1.47        3HG1  1.25        1NTX 115
SHIFTS  ILE   52   QD1  0.73                                            1NTX 116
SHIFTS  HIS   53   HN   8.99         HA   5.14        2HB   3.31        1NTX 117
SHIFTS  HIS   53  3HB   3.28         QB   3.30         HD2  7.12        1NTX 118
SHIFTS  HIS   53   HE1  8.72                                            1NTX 119
SHIFTS  CYS   54   HN   9.16         HA   5.86        2HB   3.37        1NTX 120
SHIFTS  CYS   54  3HB   3.21                                            1NTX 121
SHIFTS  CYS   55   HN   9.22         HA   5.00        2HB   3.50        1NTX 122
SHIFTS  CYS   55  3HB   3.19                                            1NTX 123
SHIFTS  GLN   56   HN   8.71         HA   5.21        2HB   2.35        1NTX 124
SHIFTS  GLN   56  3HB   2.02         QG   2.25        1HE2  7.38        1NTX 125
SHIFTS  GLN   56  2HE2  6.70                                            1NTX 126
SHIFTS  SER   57   HN   7.43         HA   4.61        2HB   3.94        1NTX 127
SHIFTS  SER   57  3HB   3.88                                            1NTX 128
SHIFTS  ASP   58   HN   8.89         HA   4.90        2HB   2.64        1NTX 129
SHIFTS  ASP   58  3HB   2.39                                            1NTX 130
SHIFTS  LYS   59   HN   9.60         HA   3.17        2HB   2.13        1NTX 131
SHIFTS  LYS   59  3HB   1.88        2HG   0.42        3HG   0.98        1NTX 132
SHIFTS  LYS   59   QD   1.58         QE   2.77         QZ   7.56        1NTX 133
SHIFTS  CYS   60   HN   7.58         HA   4.77        2HB   3.51        1NTX 134
SHIFTS  CYS   60  3HB   3.69                                            1NTX 135
SHIFTS  ASN   61   HN   9.26         HA   4.80        2HB   2.94        1NTX 136
SHIFTS  ASN   61  3HB   2.26        1HD2  8.10        2HD2  8.27        1NTX 137
SHIFTS  TYR   62   HN   7.10         HA   3.45        2HB   2.83        1NTX 138
SHIFTS  TYR   62  3HB   2.90         CG   6.65         CZ   6.70        1NTX 139
JCOUPL  ILE    2   HN   HA   9.30                                       1NTX 140
JCOUPL  CYS    3   HN   HA   9.70                                       1NTX 141
JCOUPL  TYR    4   HN   HA   7.00                                       1NTX 142
JCOUPL  ASN    5   HN   HA  10.00                                       1NTX 143
JCOUPL  GLN    7   HN   HA   7.80                                       1NTX 144
JCOUPL  SER    8   HN   HA   9.70                                       1NTX 145
JCOUPL  THR    9   HN   HA   8.80                                       1NTX 146
JCOUPL  THR   10   HN   HA   7.10                                       1NTX 147
JCOUPL  ARG   11   HN   HA   3.50                                       1NTX 148
JCOUPL  ALA   12   HN   HA   3.60                                       1NTX 149
JCOUPL  THR   13   HN   HA   8.40                                       1NTX 150
JCOUPL  THR   14   HN   HA   9.90                                       1NTX 151
JCOUPL  LYS   15   HN   HA   8.50                                       1NTX 152
JCOUPL  SER   16   HN   HA   7.80                                       1NTX 153
JCOUPL  CYS   17   HN   HA   9.70                                       1NTX 154
JCOUPL  GLU   20   HN   HA   6.60                                       1NTX 155
JCOUPL  ASN   22   HN   HA   6.10                                       1NTX 156
JCOUPL  SER   23   HN   HA   9.60                                       1NTX 157
JCOUPL  CYS   24   HN   HA   9.50                                       1NTX 158
JCOUPL  TYR   25   HN   HA   9.70                                       1NTX 159
JCOUPL  LYS   26   HN   HA   9.10                                       1NTX 160
JCOUPL  LYS   27   HN   HA   9.50                                       1NTX 161
JCOUPL  TYR   28   HN   HA   8.50                                       1NTX 162
JCOUPL  TRP   29   HN   HA   7.00                                       1NTX 163
JCOUPL  ARG   30   HN   HA   8.40                                       1NTX 164
JCOUPL  ASP   31   HN   HA   8.30                                       1NTX 165
JCOUPL  ARG   33   HN   HA   8.20                                       1NTX 166
JCOUPL  THR   35   HN   HA   7.70                                       1NTX 167
JCOUPL  ILE   36   HN   HA   9.10                                       1NTX 168
JCOUPL  ILE   37   HN   HA   9.10                                       1NTX 169
JCOUPL  GLU   38   HN   HA   9.20                                       1NTX 170
JCOUPL  ARG   39   HN   HA   9.60                                       1NTX 171
JCOUPL  CYS   40   HN   HA   6.90                                       1NTX 172
JCOUPL  CYS   43   HN   HA   8.60                                       1NTX 173
JCOUPL  LYS   45   HN   HA   7.20                                       1NTX 174
JCOUPL  VAL   46   HN   HA   9.00                                       1NTX 175
JCOUPL  LYS   47   HN   HA   5.90                                       1NTX 176
JCOUPL  VAL   50   HN   HA   9.00                                       1NTX 177
JCOUPL  ILE   52   HN   HA   8.00                                       1NTX 178
JCOUPL  HIS   53   HN   HA   8.90                                       1NTX 179
JCOUPL  CYS   54   HN   HA   9.60                                       1NTX 180
JCOUPL  CYS   55   HN   HA   7.80                                       1NTX 181
JCOUPL  GLN   56   HN   HA   9.50                                       1NTX 182
JCOUPL  SER   57   HN   HA   7.60                                       1NTX 183
JCOUPL  ASP   58   HN   HA   2.40                                       1NTX 184
JCOUPL  LYS   59   HN   HA   6.50                                       1NTX 185
JCOUPL  CYS   60   HN   HA   4.40                                       1NTX 186
JCOUPL  ASN   61   HN   HA   8.20                                       1NTX 187
JCOUPL  TYR   62   HN   HA   5.60                                       1NTX 188
NOEUPP  ARG    1  HA  ARG    1  QD   4.08      HA  ARG    1  HE   5.00  1NTX 189
NOEUPP  ARG    1  HA  ILE    2  HN   2.70      QB  ARG    1  HE   5.18  1NTX 190
NOEUPP  ARG    1  QB  CYS   17  QB   4.95      QB  ASN   22  HA   5.18  1NTX 191
NOEUPP  ARG    1 2HG  ARG    1  HE   4.10     3HG  ARG    1  HE   4.10  1NTX 192
NOEUPP  ARG    1  QG  ARG    1  HE   3.81     2HD  ASP   58  HA   4.00  1NTX 193
NOEUPP  ARG    1 3HD  ASP   58  HA   4.00      QD  ILE    2  HN   4.38  1NTX 194
NOEUPP  ARG    1  QD  ASP   58  HN   5.88      QD  ASP   58  HA   3.51  1NTX 195
NOEUPP  ARG    1  HE  ASN   22  HA   5.00      HE  ASN   22  QB   6.00  1NTX 196
NOEUPP  ARG    1  HE  SER   23  HA   5.00      HE  GLN   56  HA   4.30  1NTX 197
NOEUPP  ILE    2  HN  ILE    2  HB   2.80      HN  ILE    2  QG1  4.68  1NTX 198
NOEUPP  ILE    2  HN  ILE    2  QD1  6.00      HN  ASP   58  HA   3.30  1NTX 199
NOEUPP  ILE    2  HN  ASP   58  QB   5.88      HN  LYS   59  HN   4.40  1NTX 200
NOEUPP  ILE    2  HA  ILE    2  QG1  3.89      HA  ILE    2  QD1  4.60  1NTX 201
NOEUPP  ILE    2  HA  CYS    3  HN   2.40      HA  CYS   17  HN   3.60  1NTX 202
NOEUPP  ILE    2  HB  CYS    3  HN   4.00      HB  ASP   58  HA   4.90  1NTX 203
NOEUPP  ILE    2  HB  ASP   58  QB   4.18      HB  LYS   59  HN   4.40  1NTX 204
NOEUPP  ILE    2  QG2 CYS    3  HN   4.50      QG2 THR   14  HA   5.90  1NTX 205
NOEUPP  ILE    2  QG2 THR   14  HB   3.40      QG2 LYS   15  HN   5.40  1NTX 206
NOEUPP  ILE    2  QG2 SER   16  HA   5.90      QG2 ASP   58  QB   6.88  1NTX 207
NOEUPP  ILE    2  QG2 LYS   59  HN   6.00      QG2 LYS   59  QE   7.00  1NTX 208
NOEUPP  ILE    2  QD1 SER   16  HA   4.70      QD1 SER   16  QB   6.88  1NTX 209
NOEUPP  ILE    2  QD1 ASP   58  QB   6.88                               1NTX 210
NOEUPP  CYS    3  HN  CYS    3 2HB   2.80      HN  CYS    3 3HB   3.90  1NTX 211
NOEUPP  CYS    3  HN  THR   14  HB   5.00      HN  SER   16  HA   3.60  1NTX 212
NOEUPP  CYS    3  HA  CYS    3 3HB   2.80      HA  TYR    4  HN   2.70  1NTX 213
NOEUPP  CYS    3  HA  LYS   59  HN   3.40      HA  LYS   59  HA   3.50  1NTX 214
NOEUPP  CYS    3 2HB  TYR    4  HN   3.80     2HB  CYS   41  HA   5.00  1NTX 215
NOEUPP  CYS    3 2HB  ASN   61 2HD2  4.10     3HB  TYR    4  HN   3.20  1NTX 216
NOEUPP  CYS    3 3HB  ASN   61 1HD2  4.40     3HB  ASN   61 2HD2  3.10  1NTX 217
NOEUPP  TYR    4  HN  TYR    4 2HB   2.80      HN  TYR    4 3HB   3.80  1NTX 218
NOEUPP  TYR    4  HN  THR   14  QG2  6.00      HN  LYS   59  HA   3.80  1NTX 219
NOEUPP  TYR    4  HN  ASN   61 1HD2  5.00      HN  ASN   61 2HD2  3.40  1NTX 220
NOEUPP  TYR    4  HA  TYR    4 3HB   2.90      HA  ASN    5  HN   2.60  1NTX 221
NOEUPP  TYR    4  HA  THR   14  HB   5.00      HA  THR   14  QG2  4.40  1NTX 222
NOEUPP  TYR    4  HA  LYS   15  HN   4.40     2HB  ASN    5  HN   4.80  1NTX 223
NOEUPP  TYR    4 2HB  HIS    6  HD2  4.30     2HB  ASN   61 2HD2  3.90  1NTX 224
NOEUPP  TYR    4 3HB  ASN    5  HN   3.40     3HB  HIS    6  HN   3.60  1NTX 225
NOEUPP  TYR    4 3HB  ARG   39 2HD   3.80     3HB  ARG   39 3HD   3.80  1NTX 226
NOEUPP  TYR    4 3HB  ARG   39  QD   3.55      CG  ALA   12  QB   7.40  1NTX 227
NOEUPP  TYR    4  CG  THR   14  HA   7.00      CG  THR   14  QG2  6.90  1NTX 228
NOEUPP  TYR    4  CG  LYS   59  HA   6.70      CG  ASN   61  HN   6.60  1NTX 229
NOEUPP  TYR    4  CG  TYR   62  HN   6.00      CG  TYR   62  HA   6.50  1NTX 230
NOEUPP  TYR    4  CG  TYR   62 2HB   7.00      CG  TYR   62 3HB   7.00  1NTX 231
NOEUPP  TYR    4  CZ  ALA   12  QB   6.50      CZ  THR   14  QG2  7.70  1NTX 232
NOEUPP  TYR    4  CZ  LYS   59  HA   7.00      CZ  LYS   59 2HB   7.00  1NTX 233
NOEUPP  TYR    4  CZ  LYS   59 3HB   7.00      CZ  LYS   59  QB   6.15  1NTX 234
NOEUPP  TYR    4  CZ  LYS   59  QG   7.88      CZ  LYS   59  QD   8.00  1NTX 235
NOEUPP  TYR    4  CZ  LYS   59  QE   8.00      CZ  TYR   62  HA   7.00  1NTX 236
NOEUPP  TYR    4  CZ  TYR   62 2HB   6.50      CZ  TYR   62 3HB   5.70  1NTX 237
NOEUPP  ASN    5  HN  HIS    6  HN   2.80      HN  THR   13  HN   4.40  1NTX 238
NOEUPP  ASN    5  HN  THR   14  HA   3.00      HN  THR   14  QG2  6.00  1NTX 239
NOEUPP  ASN    5  HA  ASN    5 2HB   2.80      HA  ASN    5 3HB   2.80  1NTX 240
NOEUPP  ASN    5  HA  ARG   39  QB   3.98      HA  GLY   40  QA   4.30  1NTX 241
NOEUPP  ASN    5  HA  ASN   61 2HD2  5.00      QB  LYS   15  QG   5.88  1NTX 242
NOEUPP  ASN    5  QB  GLY   40  QA   6.28     1HD2 LYS   15 2HB   5.00  1NTX 243
NOEUPP  ASN    5 1HD2 LYS   15 3HB   5.00     1HD2 LYS   15  QD   6.00  1NTX 244
NOEUPP  ASN    5 2HD2 LYS   15 2HB   5.00     2HD2 LYS   15 3HB   5.00  1NTX 245
NOEUPP  ASN    5 2HD2 LYS   15  QD   6.00      QD2 LYS   15  QB   4.57  1NTX 246
NOEUPP  ASN    5  QD2 LYS   15  QG   6.87      QD2 LYS   15  QD   5.84  1NTX 247
NOEUPP  HIS    6  HN  HIS    6 3HB   3.20      HN  THR   13  HN   3.90  1NTX 248
NOEUPP  HIS    6  HN  ARG   39  QB   5.68      HN  ARG   39  QD   5.58  1NTX 249
NOEUPP  HIS    6  HA  HIS    6 2HB   2.80      HA  HIS    6 3HB   2.70  1NTX 250
NOEUPP  HIS    6  HA  GLN    7  HN   2.60     2HB  HIS    6  HD2  3.80  1NTX 251
NOEUPP  HIS    6 2HB  GLN    7  HN   3.00     2HB  THR   13  HN   4.00  1NTX 252
NOEUPP  HIS    6 3HB  GLN    7  HN   3.70     3HB  THR   13  HN   3.10  1NTX 253
NOEUPP  HIS    6 3HB  THR   13  QG2  5.30      HD2 ALA   12  QB   5.10  1NTX 254
NOEUPP  HIS    6  HD2 TYR   62  HA   5.00      HE1 TYR   62 3HB   5.00  1NTX 255
NOEUPP  GLN    7  HN  GLN    7 2HB   3.50      HN  GLN    7 3HB   3.50  1NTX 256
NOEUPP  GLN    7  HN  GLN    7  QB   3.09      HN  GLN    7  QG   5.70  1NTX 257
NOEUPP  GLN    7  HA  SER    8  HN   3.20     2HB  SER    8  HN   3.80  1NTX 258
NOEUPP  GLN    7 3HB  SER    8  HN   3.80                               1NTX 259
NOEUPP  SER    8  HN  SER    8  HA   2.80      HN  ILE   37  HB   3.60  1NTX 260
NOEUPP  SER    8  HA  THR    9  HN   2.80      HA  THR   10  HN   4.00  1NTX 261
NOEUPP  SER    8  HA  ILE   37  HN   3.60      HA  ILE   37  HB   2.90  1NTX 262
NOEUPP  SER    8  HA  ILE   37  QG2  5.80      HA  ILE   37  QG1  6.00  1NTX 263
NOEUPP  SER    8  QB  THR    9  HN   4.20      QB  ILE   37  HB   6.00  1NTX 264
NOEUPP  THR    9  HN  THR   10  QG2  6.00                               1NTX 265
NOEUPP  THR   10  HN  THR   10  HB   3.80      HN  THR   10  QG2  4.30  1NTX 266
NOEUPP  THR   10  HA  ARG   11  HN   2.80      HB  ARG   11  HN   2.70  1NTX 267
NOEUPP  THR   10  QG2 ARG   11  HN   6.00                               1NTX 268
NOEUPP  ARG   11  HN  ARG   11  QB   3.38      HA  ALA   12  HN   2.40  1NTX 269
NOEUPP  ARG   11  HA  ALA   12  QB   6.00      QB  ALA   12  HN   4.48  1NTX 270
NOEUPP  ALA   12  HN  ALA   12  QB   3.50      HA  THR   13  HN   2.60  1NTX 271
NOEUPP  ALA   12  QB  TYR   62  CG   8.00      QB  TYR   62  CZ   8.00  1NTX 272
NOEUPP  THR   13  HA  THR   14  HN   2.60      HA  THR   14  QG2  6.00  1NTX 273
NOEUPP  THR   13  HB  THR   14  HN   2.90      QG2 THR   14  HN   5.80  1NTX 274
NOEUPP  THR   14  HN  THR   14  HB   4.20      HA  THR   14  HB   2.70  1NTX 275
NOEUPP  THR   14  HA  LYS   15  HN   2.50      HB  LYS   15  HN   2.70  1NTX 276
NOEUPP  THR   14  QG2 LYS   15  HN   6.00      QG2 LYS   59  QD   6.40  1NTX 277
NOEUPP  THR   14  QG2 LYS   59  QE   7.00                               1NTX 278
NOEUPP  LYS   15  HN  LYS   15 2HB   3.70      HN  LYS   15 3HB   3.70  1NTX 279
NOEUPP  LYS   15  HN  LYS   15  QB   3.44      HN  LYS   15  QG   5.30  1NTX 280
NOEUPP  LYS   15  HA  SER   16  HN   2.60     2HB  SER   16  HN   3.70  1NTX 281
NOEUPP  LYS   15 3HB  SER   16  HN   3.70      QB  SER   16  HN   3.25  1NTX 282
NOEUPP  LYS   15  QG  SER   16  HN   5.50                               1NTX 283
NOEUPP  SER   16  HN  SER   16 2HB   3.00      HN  SER   16 3HB   3.00  1NTX 284
NOEUPP  SER   16  HA  CYS   17  HN   2.40     2HB  CYS   17  HN   3.90  1NTX 285
NOEUPP  SER   16 3HB  CYS   17  HN   3.90      QB  CYS   17  HN   3.70  1NTX 286
NOEUPP  CYS   17  HN  CYS   17 2HB   3.70      HN  CYS   17 3HB   3.70  1NTX 287
NOEUPP  CYS   17  HN  CYS   17  QB   3.25      HA  CYS   17 2HB   2.90  1NTX 288
NOEUPP  CYS   17  HA  CYS   17 3HB   2.90      HA  GLU   20  HN   2.50  1NTX 289
NOEUPP  CYS   17  HA  CYS   41 2HB   4.40      QB  GLU   20  HN   4.68  1NTX 290
NOEUPP  CYS   17  QB  CYS   41  HA   5.28      QB  CYS   41 3HB   4.78  1NTX 291
NOEUPP  GLU   20  HN  GLU   20 3HB   2.70      HA  GLU   20 2HB   2.70  1NTX 292
NOEUPP  GLU   20  HA  GLU   20 3HB   2.80                               1NTX 293
NOEUPP  GLU   21  HN  GLU   21 2HB   3.00      HN  GLU   21 3HB   3.60  1NTX 294
NOEUPP  GLU   21  HA  GLU   21 2HB   3.00      HA  GLU   21 3HB   2.70  1NTX 295
NOEUPP  GLU   21  HA  GLU   21  QG   3.68      HA  ASN   22  HN   2.70  1NTX 296
NOEUPP  GLU   21  HA  SER   23  HN   4.10     2HB  ASN   22  HN   3.60  1NTX 297
NOEUPP  GLU   21 2HB  SER   23  HN   3.30     2HB  GLY   42  HN   3.10  1NTX 298
NOEUPP  GLU   21 2HB  GLY   42 1HA   3.70     3HB  ASN   22  HN   2.90  1NTX 299
NOEUPP  GLU   21 3HB  SER   23  HN   2.90     3HB  GLY   42  HN   4.70  1NTX 300
NOEUPP  GLU   21 3HB  GLY   42 1HA   2.60     3HB  GLY   42 2HA   4.90  1NTX 301
NOEUPP  GLU   21 2HG  GLY   42 1HA   3.90     2HG  GLY   42 2HA   5.00  1NTX 302
NOEUPP  GLU   21 3HG  GLY   42 1HA   3.90     3HG  GLY   42 2HA   5.00  1NTX 303
NOEUPP  GLU   21  QG  GLY   42 1HA   3.65      QG  GLY   42 2HA   4.44  1NTX 304
NOEUPP  ASN   22  HN  ASN   22  QB   3.60      HN  SER   23  HN   3.00  1NTX 305
NOEUPP  ASN   22 1HD2 GLN   56 2HB   6.75     1HD2 GLN   56 3HB   6.75  1NTX 306
NOEUPP  ASN   22 2HD2 GLN   56 2HB   6.75     2HD2 GLN   56 3HB   6.75  1NTX 307
NOEUPP  ASN   22  QD2 GLN   56  QB   5.66                               1NTX 308
NOEUPP  SER   23  HN  SER   23 2HB   3.50      HN  SER   23 3HB   3.50  1NTX 309
NOEUPP  SER   23  HN  SER   23  QB   3.19      HN  GLY   42  HN   3.90  1NTX 310
NOEUPP  SER   23  HA  CYS   24  HN   2.50      HA  CYS   55  HN   4.30  1NTX 311
NOEUPP  SER   23  HA  GLN   56  HA   2.70      HA  GLN   56  QB   4.78  1NTX 312
NOEUPP  SER   23  HA  GLN   56  QG   5.80      HA  SER   57  HN   4.50  1NTX 313
NOEUPP  SER   23 2HB  CYS   24  HN   3.30     2HB  CYS   43 2HB   5.45  1NTX 314
NOEUPP  SER   23 2HB  CYS   43 3HB   5.45     3HB  CYS   24  HN   3.30  1NTX 315
NOEUPP  SER   23 3HB  CYS   43 2HB   5.45     3HB  CYS   43 3HB   5.45  1NTX 316
NOEUPP  SER   23  QB  CYS   24  HN   3.08      QB  CYS   43  QB   4.39  1NTX 317
NOEUPP  SER   23  QB  CYS   54  QB   5.45      QB  CYS   55  HN   5.68  1NTX 318
NOEUPP  CYS   24  HN  CYS   24 2HB   3.10      HN  CYS   24 3HB   3.90  1NTX 319
NOEUPP  CYS   24  HN  GLN   56  HA   3.60      HA  CYS   24 3HB   2.80  1NTX 320
NOEUPP  CYS   24  HA  TYR   25  HN   2.70      HA  CYS   41  HA   3.10  1NTX 321
NOEUPP  CYS   24  HA  GLY   42  HN   3.00     2HB  TYR   25  HN   3.80  1NTX 322
NOEUPP  CYS   24 2HB  CYS   55  HN   5.00     2HB  ASN   61  HN   5.00  1NTX 323
NOEUPP  CYS   24 2HB  ASN   61 3HB   2.90     3HB  TYR   25  HN   3.00  1NTX 324
NOEUPP  CYS   24 3HB  ASN   61 3HB   4.00     3HB  ASN   61 1HD2  4.10  1NTX 325
NOEUPP  CYS   24 3HB  ASN   61 2HD2  4.20                               1NTX 326
NOEUPP  TYR   25  HN  TYR   25 3HB   3.10      HN  GLY   40  HN   3.20  1NTX 327
NOEUPP  TYR   25  HN  CYS   41  HA   4.30      HN  ASN   61 1HD2  3.80  1NTX 328
NOEUPP  TYR   25  HA  TYR   25 2HB   2.60      HA  TYR   25 3HB   2.80  1NTX 329
NOEUPP  TYR   25  HA  LYS   26  HN   2.50      HA  CYS   54  HA   2.60  1NTX 330
NOEUPP  TYR   25  HA  CYS   55  HN   3.90     2HB  LYS   26  HN   2.80  1NTX 331
NOEUPP  TYR   25 2HB  ILE   52  QG1  4.98     2HB  CYS   54  HA   4.80  1NTX 332
NOEUPP  TYR   25 3HB  CYS   43  HA   3.00     3HB  ILE   52  QD1  5.10  1NTX 333
NOEUPP  TYR   25 3HB  CYS   54  HA   4.60      CG  LYS   26  HN   7.00  1NTX 334
NOEUPP  TYR   25  CG  LYS   26  HA   6.30      CG  LYS   27  HN   6.70  1NTX 335
NOEUPP  TYR   25  CG  LYS   27  HA   7.00      CG  LYS   27 2HB   6.70  1NTX 336
NOEUPP  TYR   25  CG  LYS   27 3HB   6.70      CG  LYS   27  QB   6.16  1NTX 337
NOEUPP  TYR   25  CG  LYS   27  QG   7.90      CG  LYS   27  QD   7.10  1NTX 338
NOEUPP  TYR   25  CG  ARG   39  HA   7.00      CG  GLY   40  HN   6.50  1NTX 339
NOEUPP  TYR   25  CG  PRO   44  QG   8.00      CG  PRO   44 2HD   7.00  1NTX 340
NOEUPP  TYR   25  CG  PRO   44 3HD   7.00      CG  ILE   52  QD1  8.00  1NTX 341
NOEUPP  TYR   25  CZ  LYS   27 2HB   7.00      CZ  LYS   27 3HB   7.00  1NTX 342
NOEUPP  TYR   25  CZ  LYS   27  QD   8.00      CZ  GLU   38  QB   6.98  1NTX 343
NOEUPP  TYR   25  CZ  GLY   40  QA   8.00      CZ  CYS   41  HN   7.00  1NTX 344
NOEUPP  LYS   26  HN  LYS   26 2HB   3.50      HN  LYS   26 3HB   3.50  1NTX 345
NOEUPP  LYS   26  HN  LYS   26  QB   3.14      HN  LYS   26  QG   5.88  1NTX 346
NOEUPP  LYS   26  HN  ILE   52  QG1  5.38      HN  ILE   52  QD1  6.00  1NTX 347
NOEUPP  LYS   26  HN  HIS   53 2HB   5.00      HN  HIS   53 3HB   5.00  1NTX 348
NOEUPP  LYS   26  HN  CYS   54  HA   3.90      HA  LYS   26  QG   3.94  1NTX 349
NOEUPP  LYS   26  HA  LYS   27  HN   2.50      HA  ARG   39  HA   2.90  1NTX 350
NOEUPP  LYS   26  HA  GLY   40  HN   4.30      HA  ASN   61 1HD2  4.50  1NTX 351
NOEUPP  LYS   26 2HB  HIS   53 2HB   6.25     2HB  HIS   53 3HB   6.25  1NTX 352
NOEUPP  LYS   26 3HB  HIS   53 2HB   6.25     3HB  HIS   53 3HB   6.25  1NTX 353
NOEUPP  LYS   26  QB  LYS   27  HN   4.38      QB  HIS   53  QB   5.11  1NTX 354
NOEUPP  LYS   26  QB  ASN   61 1HD2  5.88      QG  TYR   28  CG   7.88  1NTX 355
NOEUPP  LYS   26  QD  TYR   28  CZ   8.00     2HE  ILE   37  QG2  4.90  1NTX 356
NOEUPP  LYS   26 3HE  ILE   37  QG2  4.90      QE  ILE   37  QG2  4.67  1NTX 357
NOEUPP  LYS   27  HN  LYS   27 2HB   3.70      HN  LYS   27 3HB   3.70  1NTX 358
NOEUPP  LYS   27  HN  LYS   27  QB   3.35      HN  ILE   37  QG2  6.00  1NTX 359
NOEUPP  LYS   27  HN  GLU   38  HN   3.20      HN  ARG   39  HA   4.20  1NTX 360
NOEUPP  LYS   27  HA  LYS   27  QD   6.00      HA  TYR   28  HN   2.50  1NTX 361
NOEUPP  LYS   27  HA  TYR   28  CG   7.00      HA  ILE   52  HA   2.70  1NTX 362
NOEUPP  LYS   27  HA  ILE   52  HB   4.70      HA  ILE   52  QD1  6.00  1NTX 363
NOEUPP  LYS   27  HA  HIS   53  HN   4.30      QB  TYR   28  HN   4.98  1NTX 364
NOEUPP  LYS   27  QG  TRP   29  HE3  6.00      QD  TRP   29  HE3  6.00  1NTX 365
NOEUPP  LYS   27  QD  VAL   50  QQG  7.26                               1NTX 366
NOEUPP  TYR   28  HN  TYR   28 2HB   3.60      HN  TYR   28 3HB   3.40  1NTX 367
NOEUPP  TYR   28  HN  VAL   50  QQG  7.16      HN  ILE   52  HA   3.60  1NTX 368
NOEUPP  TYR   28  HA  TYR   28 2HB   3.00      HA  TYR   28 3HB   2.80  1NTX 369
NOEUPP  TYR   28  HA  TRP   29  HN   2.60      HA  TRP   29  HE3  4.20  1NTX 370
NOEUPP  TYR   28  HA  ILE   37  HA   2.80      HA  ILE   37  QG2  6.00  1NTX 371
NOEUPP  TYR   28  HA  GLU   38  HN   4.20     2HB  TRP   29  HN   3.60  1NTX 372
NOEUPP  TYR   28 2HB  THR   35  QG2  5.50     2HB  ILE   37  QD1  4.80  1NTX 373
NOEUPP  TYR   28 3HB  TRP   29  HN   3.90     3HB  ILE   37  QD1  4.70  1NTX 374
NOEUPP  TYR   28  CG  TRP   29  HA   7.00      CG  THR   35  QG2  8.00  1NTX 375
NOEUPP  TYR   28  CG  ILE   37  QG2  8.00      CG  ILE   52  HA   7.00  1NTX 376
NOEUPP  TYR   28  CZ  GLY   51 1HA   7.00      CZ  ILE   52  HA   7.00  1NTX 377
NOEUPP  TYR   28  CZ  HIS   53  HN   7.00      CZ  HIS   53 2HB   7.00  1NTX 378
NOEUPP  TYR   28  CZ  HIS   53 3HB   7.00                               1NTX 379
NOEUPP  TRP   29  HN  TRP   29 2HB   3.80      HN  TRP   29 3HB   3.70  1NTX 380
NOEUPP  TRP   29  HN  TRP   29  HE3  4.40      HN  THR   35  QG2  6.00  1NTX 381
NOEUPP  TRP   29  HN  ILE   36  HB   4.20      HA  TRP   29 2HB   2.70  1NTX 382
NOEUPP  TRP   29  HA  TRP   29 3HB   2.50      HA  TRP   29  HE3  5.00  1NTX 383
NOEUPP  TRP   29  HA  ARG   30  HN   2.80      HA  VAL   50  HA   3.80  1NTX 384
NOEUPP  TRP   29  HA  GLY   51  HN   4.10     2HB  TRP   29  HD1  3.70  1NTX 385
NOEUPP  TRP   29 2HB  ARG   30  HN   2.90     2HB  VAL   50  HA   4.90  1NTX 386
NOEUPP  TRP   29 2HB  VAL   50  QG1  6.00     2HB  VAL   50  QG2  6.00  1NTX 387
NOEUPP  TRP   29 3HB  TRP   29  HE3  3.80     3HB  ARG   30  HN   3.80  1NTX 388
NOEUPP  TRP   29 3HB  VAL   50  HA   3.30     3HB  VAL   50  QG1  5.20  1NTX 389
NOEUPP  TRP   29 3HB  VAL   50  QG2  5.20     3HB  VAL   50  QQG  4.75  1NTX 390
NOEUPP  TRP   29 3HB  GLY   51  HN   4.80      HD1 ARG   30  HN   5.00  1NTX 391
NOEUPP  TRP   29  HE3 VAL   50  QQG  6.86      HE1 ASP   31  QB   5.88  1NTX 392
NOEUPP  TRP   29  HE1 ILE   36  QG2  6.00      HE1 ILE   36  QD1  6.00  1NTX 393
NOEUPP  TRP   29  HZ3 GLU   38  HN   5.00      HZ3 GLU   38 2HB   3.80  1NTX 394
NOEUPP  TRP   29  HZ3 GLU   38 3HB   3.80      HZ2 ILE   36  QG2  5.20  1NTX 395
NOEUPP  TRP   29  HZ2 ILE   36  QD1  6.00      HH2 ILE   36  QG2  5.70  1NTX 396
NOEUPP  TRP   29  HH2 GLU   38 2HB   5.00      HH2 GLU   38 3HB   5.00  1NTX 397
NOEUPP  TRP   29  HH2 GLU   38  QB   4.58      HH2 GLU   38  QG   6.00  1NTX 398
NOEUPP  ARG   30  HN  ARG   30 2HB   3.40      HN  ARG   30 3HB   3.40  1NTX 399
NOEUPP  ARG   30  HN  ARG   30  QB   3.13      HN  ARG   30  QG   6.00  1NTX 400
NOEUPP  ARG   30  HA  ASP   31  HN   2.70      HA  THR   35  HA   2.90  1NTX 401
NOEUPP  ARG   30  HA  ILE   36  HN   3.80     2HB  ASP   31  HN   3.80  1NTX 402
NOEUPP  ARG   30 3HB  ASP   31  HN   3.80      QB  ASP   31  HN   3.60  1NTX 403
NOEUPP  ARG   30  QG  ASP   31  HN   6.00      QG  THR   35  HA   6.00  1NTX 404
NOEUPP  ASP   31  HN  ASP   31  QB   3.86      HN  GLY   34  HN   3.70  1NTX 405
NOEUPP  ASP   31  HN  THR   35  HA   3.90      QB  ILE   36  QD1  6.88  1NTX 406
NOEUPP  HIS   32  HN  HIS   32 2HB   3.80      HN  HIS   32 3HB   3.80  1NTX 407
NOEUPP  HIS   32  HN  HIS   32  QB   3.60      HA  ARG   33  HN   3.60  1NTX 408
NOEUPP  HIS   32 2HB  ARG   33  HN   3.70     3HB  ARG   33  HN   3.70  1NTX 409
NOEUPP  HIS   32  QB  ARG   33  HN   3.49                               1NTX 410
NOEUPP  ARG   33  HN  ARG   33  QB   3.80      HN  ARG   33 2HG   4.60  1NTX 411
NOEUPP  ARG   33  HN  ARG   33 3HG   4.60      HN  ARG   33  QG   4.08  1NTX 412
NOEUPP  ARG   33  HN  GLY   34  HN   3.10      QB  ARG   33  HE   5.90  1NTX 413
NOEUPP  GLY   34 1HA  THR   35  HN   2.70     2HA  THR   35  HN   2.70  1NTX 414
NOEUPP  THR   35  HN  THR   35  HB   2.70      HA  THR   35  HB   2.90  1NTX 415
NOEUPP  THR   35  HA  ILE   36  HN   2.70      QG2 ILE   36  HN   5.30  1NTX 416
NOEUPP  ILE   36  HN  ILE   36  HB   3.00      HN  ILE   36 2HG1  4.80  1NTX 417
NOEUPP  ILE   36  HN  ILE   36 3HG1  4.80      HN  ILE   36  QG1  4.57  1NTX 418
NOEUPP  ILE   36  HA  ILE   36  QD1  4.90      HA  ILE   37  HN   2.60  1NTX 419
NOEUPP  ILE   36  QG2 ILE   37  HN   4.80      QG2 GLU   38  QG   7.00  1NTX 420
NOEUPP  ILE   37  HN  ILE   37  HB   3.20      HN  ILE   37  QG1  6.00  1NTX 421
NOEUPP  ILE   37  HA  ILE   37  QD1  4.60      HA  GLU   38  HN   2.50  1NTX 422
NOEUPP  ILE   37  QG2 GLU   38  HN   4.30                               1NTX 423
NOEUPP  GLU   38  HN  GLU   38 2HB   3.30      HN  GLU   38 3HB   3.30  1NTX 424
NOEUPP  GLU   38  HN  GLU   38  QB   3.08      HA  ARG   39  HN   2.60  1NTX 425
NOEUPP  GLU   38  QG  ARG   39  HN   6.00                               1NTX 426
NOEUPP  ARG   39  HN  ARG   39 2HB   3.60      HN  ARG   39 3HB   3.60  1NTX 427
NOEUPP  ARG   39  HN  ARG   39  QB   3.24      HN  ARG   39  QG   6.00  1NTX 428
NOEUPP  ARG   39  HA  ARG   39  QB   2.75      HA  GLY   40  HN   2.70  1NTX 429
NOEUPP  ARG   39  HA  ASN   61 1HD2  4.60     2HB  GLY   40  HN   4.40  1NTX 430
NOEUPP  ARG   39 2HB  ASN   61 1HD2  5.00     2HB  ASN   61 2HD2  4.80  1NTX 431
NOEUPP  ARG   39 3HB  GLY   40  HN   4.40     3HB  ASN   61 1HD2  5.00  1NTX 432
NOEUPP  ARG   39 3HB  ASN   61 2HD2  4.80      QB  ARG   39  QD   3.49  1NTX 433
NOEUPP  ARG   39  QB  ARG   39  HE   4.18      QB  GLY   40  HN   4.02  1NTX 434
NOEUPP  ARG   39  QB  ASN   61 1HD2  4.63      QB  ASN   61 2HD2  4.62  1NTX 435
NOEUPP  ARG   39  QG  GLY   40  HN   5.70      QG  ASN   61 1HD2  5.30  1NTX 436
NOEUPP  ARG   39  QG  ASN   61 2HD2  5.10      HE  TYR   62  HA   3.30  1NTX 437
NOEUPP  GLY   40  HN  ASN   61 1HD2  3.40      HN  ASN   61 2HD2  4.20  1NTX 438
NOEUPP  CYS   41  HN  CYS   41 2HB   3.40      HN  CYS   41 3HB   2.90  1NTX 439
NOEUPP  CYS   41  HA  CYS   41 2HB   2.70      HA  CYS   41 3HB   3.00  1NTX 440
NOEUPP  CYS   41  HA  GLY   42  HN   2.60     2HB  GLY   42  HN   3.20  1NTX 441
NOEUPP  CYS   41 3HB  GLY   42  HN   4.10                               1NTX 442
NOEUPP  GLY   42  HN  GLY   42 1HA   2.60     1HA  CYS   43  HN   3.00  1NTX 443
NOEUPP  GLY   42 2HA  CYS   43  HN   2.70                               1NTX 444
NOEUPP  CYS   43  HN  CYS   43 2HB   3.60      HN  CYS   43 3HB   3.60  1NTX 445
NOEUPP  CYS   43  HN  CYS   43  QB   3.24      HN  PRO   44  HA   4.40  1NTX 446
NOEUPP  CYS   43  HA  PRO   44  QD   3.25      QB  CYS   54  QB   4.95  1NTX 447
NOEUPP  PRO   44  HA  LYS   45  HN   2.60     2HB  LYS   45  HN   2.90  1NTX 448
NOEUPP  PRO   44 3HB  LYS   45  HN   4.00                               1NTX 449
NOEUPP  LYS   45  HN  LYS   45 2HB   3.10      HN  LYS   45 3HB   2.90  1NTX 450
NOEUPP  LYS   45  HN  LYS   45  QG   6.00      HN  LYS   45  QD   6.00  1NTX 451
NOEUPP  LYS   45  HA  LYS   45 2HB   2.90      HA  LYS   45 3HB   3.00  1NTX 452
NOEUPP  LYS   45  HA  LYS   45  QD   6.00      HA  VAL   46  HN   2.50  1NTX 453
NOEUPP  LYS   45  HA  VAL   46  QQG  7.56      HA  ILE   52  QG2  6.00  1NTX 454
NOEUPP  LYS   45  HA  ILE   52  QD1  5.30     2HB  VAL   46  HN   3.60  1NTX 455
NOEUPP  LYS   45 3HB  VAL   46  HN   3.60      QG  VAL   46  HN   6.00  1NTX 456
NOEUPP  LYS   45  QD  VAL   46  HN   6.00                               1NTX 457
NOEUPP  VAL   46  HN  VAL   46  HB   3.80      HN  VAL   46  QQG  4.06  1NTX 458
NOEUPP  VAL   46  HN  ILE   52  HB   5.00      HA  VAL   46  HB   2.60  1NTX 459
NOEUPP  VAL   46  HA  LYS   47  HN   2.60      HB  LYS   47  HN   2.80  1NTX 460
NOEUPP  VAL   46  QG1 LYS   47  HN   6.00      QG2 LYS   47  HN   6.00  1NTX 461
NOEUPP  VAL   46  QQG VAL   50  HN   7.56      QQG ILE   52  HB   6.06  1NTX 462
NOEUPP  LYS   47  HN  LYS   47 2HB   3.70      HN  LYS   47 3HB   3.70  1NTX 463
NOEUPP  LYS   47  HN  LYS   47  QB   3.21      HN  LYS   47  QG   5.50  1NTX 464
NOEUPP  LYS   47  HN  VAL   50  HB   3.80      HN  VAL   50  QG1  6.00  1NTX 465
NOEUPP  LYS   47  HN  VAL   50  QG2  6.00      HA  PRO   48 2HD   3.20  1NTX 466
NOEUPP  LYS   47  HA  PRO   48 3HD   2.40     2HB  PRO   48 2HD   3.50  1NTX 467
NOEUPP  LYS   47 2HB  PRO   48 3HD   4.20     3HB  PRO   48 2HD   3.50  1NTX 468
NOEUPP  LYS   47 3HB  PRO   48 3HD   4.20      QB  PRO   48 2HD   3.19  1NTX 469
NOEUPP  LYS   47  QB  PRO   48 3HD   4.01                               1NTX 470
NOEUPP  PRO   48  HA  GLY   49  HN   2.70     2HB  GLY   49  HN   3.90  1NTX 471
NOEUPP  PRO   48 3HB  GLY   49  HN   3.90      QB  GLY   49  HN   3.65  1NTX 472
NOEUPP  GLY   49  HN  GLY   49 1HA   2.70      HN  GLY   49 2HA   2.70  1NTX 473
NOEUPP  GLY   49  HN  VAL   50  HN   3.00                               1NTX 474
NOEUPP  VAL   50  HN  VAL   50  HB   2.70      HA  GLY   51  HN   3.60  1NTX 475
NOEUPP  VAL   50  QG1 GLY   51  HN   6.00      QG2 GLY   51  HN   6.00  1NTX 476
NOEUPP  VAL   50  QQG GLY   51  HN   5.11                               1NTX 477
NOEUPP  GLY   51  HN  GLY   51 1HA   2.70      HN  GLY   51 2HA   2.50  1NTX 478
NOEUPP  GLY   51 1HA  ILE   52  HN   3.00     2HA  ILE   52  HN   2.50  1NTX 479
NOEUPP  ILE   52  HN  ILE   52  HB   3.60      HN  ILE   52  QG2  4.10  1NTX 480
NOEUPP  ILE   52  HN  ILE   52  QD1  6.00      HA  ILE   52  HB   2.80  1NTX 481
NOEUPP  ILE   52  HA  ILE   52 2HG1  4.20      HA  ILE   52 3HG1  4.20  1NTX 482
NOEUPP  ILE   52  HA  ILE   52  QG1  3.59      HA  HIS   53  HN   2.40  1NTX 483
NOEUPP  ILE   52  HB  HIS   53  HN   4.30      QG2 HIS   53  HN   6.00  1NTX 484
NOEUPP  ILE   52 2HG1 HIS   53  HN   4.00     3HG1 HIS   53  HN   4.00  1NTX 485
NOEUPP  ILE   52  QD1 HIS   53  HN   6.00                               1NTX 486
NOEUPP  HIS   53  HN  HIS   53 2HB   3.40      HN  HIS   53 3HB   3.40  1NTX 487
NOEUPP  HIS   53  HA  CYS   54  HN   2.50     2HB  CYS   54  HN   4.30  1NTX 488
NOEUPP  HIS   53 3HB  CYS   54  HN   4.30      QB  CYS   54  HN   4.11  1NTX 489
NOEUPP  CYS   54  HN  CYS   54 2HB   3.70      HN  CYS   54 3HB   3.70  1NTX 490
NOEUPP  CYS   54  HN  CYS   54  QB   3.25      HA  CYS   55  HN   2.60  1NTX 491
NOEUPP  CYS   54 2HB  CYS   55  HN   3.80     3HB  CYS   55  HN   3.80  1NTX 492
NOEUPP  CYS   54  QB  CYS   55  HN   3.40                               1NTX 493
NOEUPP  CYS   55  HN  CYS   55 2HB   3.80      HN  CYS   55 3HB   3.90  1NTX 494
NOEUPP  CYS   55  HA  CYS   55 2HB   2.70      HA  CYS   55 3HB   2.60  1NTX 495
NOEUPP  CYS   55  HA  GLN   56  HN   2.60     2HB  GLN   56  HN   2.80  1NTX 496
NOEUPP  CYS   55 2HB  SER   57  HN   3.60     3HB  GLN   56  HN   3.50  1NTX 497
NOEUPP  GLN   56  HN  GLN   56  QB   3.50      HN  SER   57  HN   3.40  1NTX 498
NOEUPP  GLN   56  HA  GLN   56  QB   2.70      HA  SER   57  HN   3.10  1NTX 499
NOEUPP  SER   57  HN  SER   57 2HB   4.10      HN  SER   57 3HB   4.10  1NTX 500
NOEUPP  SER   57  HN  SER   57  QB   3.90      HN  CYS   60 3HB   3.40  1NTX 501
NOEUPP  SER   57  HA  SER   57 2HB   3.00      HA  SER   57 3HB   3.00  1NTX 502
NOEUPP  SER   57  HA  ASP   58  HN   2.70     2HB  ASP   58  HN   3.80  1NTX 503
NOEUPP  SER   57 3HB  ASP   58  HN   3.80      QB  ASP   58  HN   3.22  1NTX 504
NOEUPP  ASP   58  HN  ASP   58 2HB   3.60      HN  ASP   58 3HB   3.60  1NTX 505
NOEUPP  ASP   58  HN  ASP   58  QB   3.10      HA  LYS   59  HN   2.40  1NTX 506
NOEUPP  ASP   58  HA  CYS   60  HN   4.10     2HB  LYS   59  HN   4.20  1NTX 507
NOEUPP  ASP   58 3HB  LYS   59  HN   4.20      QB  LYS   59  HN   3.77  1NTX 508
NOEUPP  ASP   58  QB  LYS   59  QG   5.85                               1NTX 509
NOEUPP  LYS   59  HN  LYS   59  HA   2.60      HN  LYS   59 2HG   4.60  1NTX 510
NOEUPP  LYS   59  HN  LYS   59 3HG   4.60      HN  LYS   59  QG   4.04  1NTX 511
NOEUPP  LYS   59  HN  CYS   60  HN   3.30      HA  LYS   59 2HG   3.70  1NTX 512
NOEUPP  LYS   59  HA  LYS   59 3HG   3.70      HA  LYS   59  QG   3.25  1NTX 513
NOEUPP  LYS   59  HA  CYS   60  HN   3.40      HA  ASN   61  HN   3.60  1NTX 514
NOEUPP  CYS   60  HN  CYS   60 2HB   3.80      HN  CYS   60 3HB   3.00  1NTX 515
NOEUPP  CYS   60  HN  ASN   61  HN   3.10      HA  CYS   60 2HB   2.80  1NTX 516
NOEUPP  CYS   60  HA  CYS   60 3HB   2.70                               1NTX 517
NOEUPP  ASN   61  HN  ASN   61  HA   2.80      HN  ASN   61 2HB   3.80  1NTX 518
NOEUPP  ASN   61  HN  ASN   61 3HB   3.00      HN  TYR   62  HN   3.50  1NTX 519
NOEUPP  ASN   61  HA  ASN   61 2HB   2.70      HA  ASN   61 3HB   2.60  1NTX 520
NOEUPP  ASN   61  HA  TYR   62  HN   3.10     2HB  ASN   61 1HD2  3.50  1NTX 521
NOEUPP  TYR   62  HN  TYR   62 2HB   3.00      HN  TYR   62 3HB   2.90  1NTX 522
NOEUPP  TYR   62  HA  TYR   62 2HB   2.80                               1NTX 523
SSUPP   CYS    3  CB  CYS   24  SG   3.10      SG  CYS   24  CB   3.10  1NTX 524
SSUPP   CYS    3  SG  CYS   24  SG   2.10                               1NTX 525
SSUPP   CYS   17  CB  CYS   41  SG   3.10      SG  CYS   41  CB   3.10  1NTX 526
SSUPP   CYS   17  SG  CYS   41  SG   2.10                               1NTX 527
SSUPP   CYS   43  CB  CYS   54  SG   3.10      SG  CYS   54  CB   3.10  1NTX 528
SSUPP   CYS   43  SG  CYS   54  SG   2.10                               1NTX 529
SSUPP   CYS   55  CB  CYS   60  SG   3.10      SG  CYS   60  CB   3.10  1NTX 530
SSUPP   CYS   55  SG  CYS   60  SG   2.10                               1NTX 531
SSLOW   CYS    3  SG  CYS   24  SG   2.00      SG  CYS   24  CB   3.00  1NTX 532
SSLOW   CYS    3  CB  CYS   24  SG   3.00                               1NTX 533
SSLOW   CYS   17  SG  CYS   41  SG   2.00      SG  CYS   41  CB   3.00  1NTX 534
SSLOW   CYS   17  CB  CYS   41  SG   3.00                               1NTX 535
SSLOW   CYS   43  SG  CYS   54  SG   2.00      SG  CYS   54  CB   3.00  1NTX 536
SSLOW   CYS   43  CB  CYS   54  SG   3.00                               1NTX 537
SSLOW   CYS   55  SG  CYS   60  SG   2.00      SG  CYS   60  CB   3.00  1NTX 538
SSLOW   CYS   55  CB  CYS   60  SG   3.00                               1NTX 539
ANGLE   ILE    2 PHI   -155.00  -85.00        PSI    115.00  165.00     1NTX 540
ANGLE   ILE    2 CHI1   165.00  335.00                                  1NTX 541
ANGLE   CYS    3 PHI   -155.00  -85.00        PSI    135.00  185.00     1NTX 542
ANGLE   CYS    3 CHI1    65.00  335.00                                  1NTX 543
ANGLE   TYR    4 PHI   -165.00  -65.00        PSI    125.00  185.00     1NTX 544
ANGLE   TYR    4 CHI1    65.00  335.00                                  1NTX 545
ANGLE   ASN    5 PHI   -155.00  -85.00        PSI    -85.00   65.00     1NTX 546
ANGLE   ASN    5 CHI1    -5.00  135.00                                  1NTX 547
ANGLE   HIS    6 PHI   -165.00   85.00        PSI    145.00  185.00     1NTX 548
ANGLE   HIS    6 CHI1    -5.00   85.00                                  1NTX 549
ANGLE   GLN    7 PHI   -165.00   55.00        PSI    135.00  225.00     1NTX 550
ANGLE   GLN    7 CHI1    25.00  245.00                                  1NTX 551
ANGLE   SER    8 PHI   -155.00  -85.00        PSI     35.00  195.00     1NTX 552
ANGLE   THR    9 PHI     45.00  285.00        PSI   -105.00  225.00     1NTX 553
ANGLE   THR   10 PHI     45.00  295.00        PSI    145.00  195.00     1NTX 554
ANGLE   THR   10 CHI1   -45.00  125.00                                  1NTX 555
ANGLE   ARG   11 PHI    -55.00  -35.00        PSI    155.00  165.00     1NTX 556
ANGLE   ARG   11 CHI1   155.00  165.00                                  1NTX 557
ANGLE   THR   13 PHI     45.00  285.00        PSI    145.00  185.00     1NTX 558
ANGLE   THR   13 CHI1   -45.00  125.00                                  1NTX 559
ANGLE   THR   14 PHI   -155.00  -85.00        PSI    145.00  175.00     1NTX 560
ANGLE   THR   14 CHI1    15.00  105.00                                  1NTX 561
ANGLE   LYS   15 PHI     45.00  285.00        PSI    145.00  185.00     1NTX 562
ANGLE   LYS   15 CHI1  -165.00  135.00                                  1NTX 563
ANGLE   SER   16 PHI   -125.00  -65.00        PSI    155.00  165.00     1NTX 564
ANGLE   SER   16 CHI1   155.00  195.00                                  1NTX 565
ANGLE   CYS   17 PHI   -155.00  -85.00        PSI    115.00  175.00     1NTX 566
ANGLE   CYS   17 CHI1  -105.00  155.00                                  1NTX 567
ANGLE   GLU   20 PHI   -145.00  -55.00        PSI   -105.00  225.00     1NTX 568
ANGLE   GLU   20 CHI1    35.00  135.00                                  1NTX 569
ANGLE   GLU   21 PHI   -165.00  -35.00        PSI    145.00  185.00     1NTX 570
ANGLE   GLU   21 CHI1  -105.00   75.00                                  1NTX 571
ANGLE   ASN   22 PHI     35.00  305.00        PSI    -95.00   95.00     1NTX 572
ANGLE   SER   23 PHI   -105.00  -85.00        PSI    145.00  175.00     1NTX 573
ANGLE   SER   23 CHI1   -35.00   35.00                                  1NTX 574
ANGLE   CYS   24 PHI   -155.00  -85.00        PSI    135.00  185.00     1NTX 575
ANGLE   CYS   24 CHI1  -115.00  135.00                                  1NTX 576
ANGLE   TYR   25 PHI   -155.00  -85.00        PSI    145.00  175.00     1NTX 577
ANGLE   TYR   25 CHI1    65.00  115.00                                  1NTX 578
ANGLE   LYS   26 PHI   -165.00  -75.00        PSI    135.00  175.00     1NTX 579
ANGLE   LYS   26 CHI1   175.00  355.00                                  1NTX 580
ANGLE   LYS   27 PHI   -155.00  -85.00        PSI     85.00  175.00     1NTX 581
ANGLE   LYS   27 CHI1  -295.00   15.00                                  1NTX 582
ANGLE   TYR   28 PHI     45.00  285.00        PSI    115.00  185.00     1NTX 583
ANGLE   TYR   28 CHI1  -195.00   65.00                                  1NTX 584
ANGLE   TRP   29 PHI   -165.00   55.00        PSI    145.00  195.00     1NTX 585
ANGLE   TRP   29 CHI1    15.00   85.00                                  1NTX 586
ANGLE   ARG   30 PHI   -165.00   55.00        PSI    125.00  185.00     1NTX 587
ANGLE   ARG   30 CHI1  -265.00    5.00                                  1NTX 588
ANGLE   ASP   31 PHI     35.00  285.00        PSI   -255.00    5.00     1NTX 589
ANGLE   HIS   32 PHI     35.00  325.00        PSI    125.00  345.00     1NTX 590
ANGLE   ARG   33 PHI     35.00  285.00        PSI   -105.00   95.00     1NTX 591
ANGLE   THR   35 PHI   -155.00  -65.00        PSI     45.00  185.00     1NTX 592
ANGLE   THR   35 CHI1   165.00  275.00                                  1NTX 593
ANGLE   ILE   36 PHI     45.00  285.00        PSI     55.00  185.00     1NTX 594
ANGLE   ILE   36 CHI1   145.00  355.00                                  1NTX 595
ANGLE   ILE   37 PHI     45.00  285.00        PSI     55.00  175.00     1NTX 596
ANGLE   ILE   37 CHI1  -235.00   15.00                                  1NTX 597
ANGLE   GLU   38 PHI   -165.00   55.00        PSI     75.00  185.00     1NTX 598
ANGLE   GLU   38 CHI1    -5.00  265.00                                  1NTX 599
ANGLE   ARG   39 PHI   -155.00  -85.00        PSI    105.00  185.00     1NTX 600
ANGLE   ARG   39 CHI1  -105.00  175.00                                  1NTX 601
ANGLE   CYS   41 PHI   -105.00  -65.00        PSI    135.00  185.00     1NTX 602
ANGLE   CYS   41 CHI1    85.00  345.00                                  1NTX 603
ANGLE   CYS   43 PHI     35.00  285.00        PSI   -105.00  225.00     1NTX 604
ANGLE   CYS   43 CHI1  -115.00  205.00                                  1NTX 605
ANGLE   LYS   45 PHI   -125.00  -65.00        PSI    165.00  175.00     1NTX 606
ANGLE   LYS   45 CHI1   165.00  175.00                                  1NTX 607
ANGLE   VAL   46 PHI     45.00  285.00        PSI    145.00  185.00     1NTX 608
ANGLE   VAL   46 CHI1   -85.00    5.00                                  1NTX 609
ANGLE   LYS   47 PHI   -175.00   55.00        PSI   -105.00  225.00     1NTX 610
ANGLE   LYS   47 CHI1    25.00  345.00                                  1NTX 611
ANGLE   VAL   50 PHI   -155.00  -75.00        PSI   -105.00  225.00     1NTX 612
ANGLE   VAL   50 CHI1    55.00  215.00                                  1NTX 613
ANGLE   ILE   52 PHI     35.00  285.00        PSI     65.00  165.00     1NTX 614
ANGLE   ILE   52 CHI1    -5.00  245.00                                  1NTX 615
ANGLE   HIS   53 PHI     55.00  285.00        PSI     85.00  175.00     1NTX 616
ANGLE   HIS   53 CHI1  -265.00   35.00                                  1NTX 617
ANGLE   CYS   54 PHI   -155.00  -85.00        PSI    135.00  185.00     1NTX 618
ANGLE   CYS   54 CHI1  -115.00  145.00                                  1NTX 619
ANGLE   CYS   55 PHI   -175.00  -65.00        PSI    155.00  185.00     1NTX 620
ANGLE   CYS   55 CHI1    15.00   55.00                                  1NTX 621
ANGLE   GLN   56 PHI   -155.00  -85.00        PSI     15.00   85.00     1NTX 622
ANGLE   GLN   56 CHI1    65.00  345.00                                  1NTX 623
ANGLE   SER   57 PHI     45.00  295.00        PSI    145.00  185.00     1NTX 624
ANGLE   SER   57 CHI1  -155.00  125.00                                  1NTX 625
ANGLE   ASP   58 PHI    -65.00  -35.00        PSI    115.00  165.00     1NTX 626
ANGLE   ASP   58 CHI1    65.00  335.00                                  1NTX 627
ANGLE   LYS   59 PHI     35.00   95.00        PSI    -25.00  105.00     1NTX 628
ANGLE   CYS   60 PHI    -85.00   65.00        PSI    -95.00   85.00     1NTX 629
ANGLE   CYS   60 CHI1     5.00  115.00                                  1NTX 630
ANGLE   ASN   61 PHI   -145.00   65.00        PSI     15.00  105.00     1NTX 631
ANGLE   ASN   61 CHI1    35.00   95.00                                  1NTX 632
MASTER        0    0  132   49  343    8   93                           1NTX 633
END                                                                     1NTX 634


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 605 H/Q atoms
  Start of MODEL    1
    1    NH1  ARG   1           NH2      ARG   1   0.670   5.507   6.447
    2    NH2  ARG   1           NH1      ARG   1   2.550   4.344   7.111
    3    H    ARG   1           HN       ARG   1  -3.263   4.939  12.546
    4    HA   ARG   1           HA       ARG   1  -2.676   6.482  10.745
    5   1HB   ARG   1          2HB       ARG   1  -1.645   4.193  10.891
    6   2HB   ARG   1          3HB       ARG   1  -2.911   3.576   9.833
    7   1HG   ARG   1          2HG       ARG   1  -1.169   3.830   8.418
    8   2HG   ARG   1          3HG       ARG   1  -2.085   5.304   8.093
    9   1HD   ARG   1          2HD       ARG   1  -0.314   6.614   8.716
   10   2HD   ARG   1          3HD       ARG   1  -0.128   5.778  10.230
   11    HE   ARG   1           HE       ARG   1   1.583   4.524   9.366
   12   1HH1  ARG   1          2HH2      ARG   1  -0.264   5.800   6.683
   13   2HH1  ARG   1          1HH2      ARG   1   1.120   5.930   5.638
   14   1HH2  ARG   1          2HH1      ARG   1   3.042   3.941   7.908
   15   2HH2  ARG   1          1HH1      ARG   1   2.907   4.163   6.172
   16    QB   ARG   1           QB       ARG   1  -2.278   3.884  10.362
   17    QG   ARG   1           QG       ARG   1  -1.627   4.567   8.256
   18    QD   ARG   1           QD       ARG   1  -0.221   6.196   9.473
   19    QH1  ARG   1           QH2      ARG   1   0.428   5.865   6.161
   20    QH2  ARG   1           QH1      ARG   1   2.975   4.052   7.040
   21    H    ILE   2           HN       ILE   2  -3.349   7.422   8.720
   22    HA   ILE   2           HA       ILE   2  -5.929   6.479   7.505
   23    HB   ILE   2           HB       ILE   2  -4.616   9.194   7.280
   24   1HG1  ILE   2          2HG1      ILE   2  -5.255   8.929   9.620
   25   2HG1  ILE   2          3HG1      ILE   2  -6.265  10.109   8.799
   26   1HG2  ILE   2          1HG2      ILE   2  -7.361   8.173   6.459
   27   2HG2  ILE   2          2HG2      ILE   2  -6.880   9.885   6.458
   28   3HG2  ILE   2          3HG2      ILE   2  -6.054   8.730   5.401
   29   1HD1  ILE   2          1HD1      ILE   2  -7.085   7.246   9.437
   30   2HD1  ILE   2          2HD1      ILE   2  -7.584   8.705  10.305
   31   3HD1  ILE   2          3HD1      ILE   2  -8.110   8.461   8.635
   32    QG1  ILE   2           QG1      ILE   2  -5.760   9.519   9.210
   33    QG2  ILE   2           QG2      ILE   2  -6.765   8.929   6.106
   34    QD1  ILE   2           QD1      ILE   2  -7.593   8.137   9.459
   35    H    CYS   3           HN       CYS   3  -5.803   5.765   5.363
   36    HA   CYS   3           HA       CYS   3  -3.355   6.307   3.782
   37   1HB   CYS   3          2HB       CYS   3  -4.122   3.565   4.857
   38   2HB   CYS   3          3HB       CYS   3  -3.081   3.788   3.450
   39    QB   CYS   3           QB       CYS   3  -3.601   3.676   4.154
   40    OH   TYR   4           OH       TYR   4  -4.676  11.651  -0.600
   41    H    TYR   4           HN       TYR   4  -3.451   5.551   1.623
   42    HA   TYR   4           HA       TYR   4  -6.136   5.891   0.479
   43   1HB   TYR   4          2HB       TYR   4  -3.359   5.663  -0.581
   44   2HB   TYR   4          3HB       TYR   4  -4.698   5.560  -1.692
   45    HD1  TYR   4           HD2      TYR   4  -6.473   7.578  -1.491
   46    HD2  TYR   4           HD1      TYR   4  -2.404   7.756  -0.074
   47    HE1  TYR   4           HE2      TYR   4  -6.603  10.038  -1.443
   48    HE2  TYR   4           HE1      TYR   4  -2.524  10.227  -0.111
   49    HH   TYR   4           HH       TYR   4  -5.394  12.023  -1.118
   50    QB   TYR   4           QB       TYR   4  -4.028   5.611  -1.136
   51    QR   TYR   4           QR       TYR   4  -4.501   8.900  -0.779
   52    H    ASN   5           HN       ASN   5  -7.332   4.367  -0.508
   53    HA   ASN   5           HA       ASN   5  -6.242   1.631  -0.912
   54   1HB   ASN   5          2HB       ASN   5  -8.012   0.555   0.213
   55   2HB   ASN   5          3HB       ASN   5  -7.295   1.692   1.358
   56   1HD2  ASN   5          2HD2      ASN   5 -11.189   1.824   1.069
   57   2HD2  ASN   5          1HD2      ASN   5 -10.143   0.427   0.912
   58    QB   ASN   5           QB       ASN   5  -7.653   1.123   0.786
   59    QD2  ASN   5           QD2      ASN   5 -10.666   1.125   0.991
   60    H    HIS   6           HN       HIS   6  -6.507   3.366  -2.927
   61    HA   HIS   6           HA       HIS   6  -8.796   2.196  -4.444
   62   1HB   HIS   6          2HB       HIS   6  -8.476   3.980  -6.120
   63   2HB   HIS   6          3HB       HIS   6  -9.095   4.543  -4.604
   64    HD1  HIS   6           HD1      HIS   6  -6.410   5.188  -7.087
   65    HD2  HIS   6           HD2      HIS   6  -7.020   5.735  -2.956
   66    HE1  HIS   6           HE1      HIS   6  -4.575   6.862  -6.269
   67    HE2  HIS   6           HE2      HIS   6  -4.999   7.200  -3.767
   68    QB   HIS   6           QB       HIS   6  -8.785   4.261  -5.362
   69    H    GLN   7           HN       GLN   7  -8.179   1.237  -6.316
   70    HA   GLN   7           HA       GLN   7  -5.327   0.547  -6.573
   71   1HB   GLN   7          2HB       GLN   7  -6.194  -1.116  -8.223
   72   2HB   GLN   7          3HB       GLN   7  -6.764  -1.306  -6.570
   73   1HG   GLN   7          2HG       GLN   7  -8.968  -0.411  -7.172
   74   2HG   GLN   7          3HG       GLN   7  -8.373   0.007  -8.790
   75   1HE2  GLN   7          2HE2      GLN   7  -8.544  -4.052  -8.199
   76   2HE2  GLN   7          1HE2      GLN   7  -7.629  -3.077  -7.069
   77    QB   GLN   7           QB       GLN   7  -6.479  -1.211  -7.396
   78    QG   GLN   7           QG       GLN   7  -8.670  -0.202  -7.981
   79    QE2  GLN   7           QE2      GLN   7  -8.086  -3.565  -7.634
   80    H    SER   8           HN       SER   8  -5.058   0.245  -9.300
   81    HA   SER   8           HA       SER   8  -4.670   2.769 -10.386
   82   1HB   SER   8          2HB       SER   8  -5.345   0.097 -11.711
   83   2HB   SER   8          3HB       SER   8  -5.061   1.560 -12.672
   84    HG   SER   8           HG       SER   8  -3.115   0.650 -12.502
   85    QB   SER   8           QB       SER   8  -5.203   0.828 -12.191
   86    H    THR   9           HN       THR   9  -5.916   3.995 -11.903
   87    HA   THR   9           HA       THR   9  -7.799   5.084 -12.614
   88    HB   THR   9           HB       THR   9  -6.879   3.583 -14.303
   89    HG1  THR   9          1HG       THR   9  -8.601   4.980 -14.810
   90   1HG2  THR   9          1HG2      THR   9  -9.093   1.633 -13.552
   91   2HG2  THR   9          2HG2      THR   9  -8.076   1.553 -14.997
   92   3HG2  THR   9          3HG2      THR   9  -7.351   1.351 -13.401
   93    QG2  THR   9           QG2      THR   9  -8.173   1.512 -13.983
   94    H    THR  10           HN       THR  10  -8.422   4.424 -10.014
   95    HA   THR  10           HA       THR  10 -11.374   4.128 -10.233
   96    HB   THR  10           HB       THR  10 -11.193   2.933  -7.959
   97    HG1  THR  10          1HG       THR  10  -8.614   2.360  -8.988
   98   1HG2  THR  10          1HG2      THR  10 -10.226   1.483 -10.475
   99   2HG2  THR  10          2HG2      THR  10 -10.869   0.719  -9.016
  100   3HG2  THR  10          3HG2      THR  10 -11.905   1.769 -10.007
  101    QG2  THR  10           QG2      THR  10 -11.000   1.324  -9.832
  102    NH1  ARG  11           NH2      ARG  11 -18.071   8.827  -6.180
  103    NH2  ARG  11           NH1      ARG  11 -17.943   9.422  -8.415
  104    H    ARG  11           HN       ARG  11 -12.500   5.285  -8.649
  105    HA   ARG  11           HA       ARG  11 -11.656   7.885  -8.172
  106   1HB   ARG  11          2HB       ARG  11 -13.987   7.090  -8.096
  107   2HB   ARG  11          3HB       ARG  11 -13.652   6.194  -6.606
  108   1HG   ARG  11          2HG       ARG  11 -13.225   8.269  -5.391
  109   2HG   ARG  11          3HG       ARG  11 -13.413   9.231  -6.865
  110   1HD   ARG  11          2HD       ARG  11 -15.593   7.448  -5.684
  111   2HD   ARG  11          3HD       ARG  11 -15.398   9.171  -5.297
  112    HE   ARG  11           HE       ARG  11 -15.488   8.919  -8.116
  113   1HH1  ARG  11          2HH2      ARG  11 -17.614   8.513  -5.337
  114   2HH1  ARG  11          1HH2      ARG  11 -19.068   8.988  -6.161
  115   1HH2  ARG  11          2HH1      ARG  11 -17.408   9.576  -9.259
  116   2HH2  ARG  11          1HH1      ARG  11 -18.937   9.600  -8.447
  117    QB   ARG  11           QB       ARG  11 -13.819   6.642  -7.351
  118    QG   ARG  11           QG       ARG  11 -13.319   8.750  -6.128
  119    QD   ARG  11           QD       ARG  11 -15.495   8.309  -5.490
  120    QH1  ARG  11           QH2      ARG  11 -18.341   8.750  -5.749
  121    QH2  ARG  11           QH1      ARG  11 -18.172   9.588  -8.853
  122    H    ALA  12           HN       ALA  12 -10.463   8.908  -6.577
  123    HA   ALA  12           HA       ALA  12  -8.683   7.415  -4.975
  124   1HB   ALA  12          3HB       ALA  12  -8.207   9.678  -5.765
  125   2HB   ALA  12          1HB       ALA  12  -9.514  10.330  -4.751
  126   3HB   ALA  12          2HB       ALA  12  -8.083   9.593  -3.995
  127    QB   ALA  12           QB       ALA  12  -8.601   9.867  -4.837
  128    H    THR  13           HN       THR  13  -9.403   6.062  -3.352
  129    HA   THR  13           HA       THR  13 -11.335   7.056  -1.324
  130    HB   THR  13           HB       THR  13 -11.410   4.531  -0.850
  131    HG1  THR  13          1HG       THR  13 -10.252   3.265  -2.144
  132   1HG2  THR  13          1HG2      THR  13 -12.301   5.491  -3.613
  133   2HG2  THR  13          2HG2      THR  13 -12.888   4.036  -2.791
  134   3HG2  THR  13          3HG2      THR  13 -13.230   5.637  -2.108
  135    QG2  THR  13           QG2      THR  13 -12.806   5.055  -2.837
  136    H    THR  14           HN       THR  14 -10.751   6.878   0.870
  137    HA   THR  14           HA       THR  14  -8.068   5.819   1.513
  138    HB   THR  14           HB       THR  14  -8.169   7.471   3.492
  139    HG1  THR  14          1HG       THR  14 -10.372   8.087   3.061
  140   1HG2  THR  14          3HG2      THR  14  -7.775   8.627   0.707
  141   2HG2  THR  14          1HG2      THR  14  -7.207   9.346   2.229
  142   3HG2  THR  14          2HG2      THR  14  -6.545   7.797   1.692
  143    QG2  THR  14           QG2      THR  14  -7.176   8.590   1.543
  144    H    LYS  15           HN       LYS  15  -7.952   4.722   3.441
  145    HA   LYS  15           HA       LYS  15 -10.438   4.316   5.007
  146   1HB   LYS  15          2HB       LYS  15  -8.673   2.270   3.767
  147   2HB   LYS  15          3HB       LYS  15  -8.879   2.031   5.480
  148   1HG   LYS  15          2HG       LYS  15 -11.243   2.512   3.657
  149   2HG   LYS  15          3HG       LYS  15 -10.592   0.889   3.856
  150   1HD   LYS  15          2HD       LYS  15 -11.367   2.529   6.312
  151   2HD   LYS  15          3HD       LYS  15 -12.589   1.743   5.350
  152   1HE   LYS  15          2HE       LYS  15 -11.937   0.401   7.302
  153   2HE   LYS  15          3HE       LYS  15 -11.731  -0.450   5.771
  154   1HZ   LYS  15          2HZ       LYS  15  -9.493   0.828   7.269
  155   2HZ   LYS  15          3HZ       LYS  15  -9.902  -0.749   7.350
  156   3HZ   LYS  15          1HZ       LYS  15  -9.390  -0.116   5.924
  157    QB   LYS  15           QB       LYS  15  -8.776   2.150   4.624
  158    QG   LYS  15           QG       LYS  15 -10.917   1.700   3.757
  159    QD   LYS  15           QD       LYS  15 -11.978   2.136   5.831
  160    QE   LYS  15           QE       LYS  15 -11.834  -0.025   6.537
  161    QZ   LYS  15           QZ       LYS  15  -9.595  -0.012   6.848
  162    H    SER  16           HN       SER  16  -9.778   3.548   7.183
  163    HA   SER  16           HA       SER  16  -7.194   4.706   8.057
  164   1HB   SER  16          2HB       SER  16  -9.115   5.714   9.232
  165   2HB   SER  16          3HB       SER  16  -9.631   4.103   9.783
  166    HG   SER  16           HG       SER  16  -7.029   5.152  10.255
  167    QB   SER  16           QB       SER  16  -9.373   4.908   9.508
  168    H    CYS  17           HN       CYS  17  -5.918   3.366   9.356
  169    HA   CYS  17           HA       CYS  17  -6.622   0.543   9.716
  170   1HB   CYS  17          2HB       CYS  17  -4.839   1.225   7.663
  171   2HB   CYS  17          3HB       CYS  17  -3.951   0.434   8.983
  172    QB   CYS  17           QB       CYS  17  -4.395   0.829   8.323
  173    H    GLU  20           HN       GLU  20  -5.144  -0.461  11.241
  174    HA   GLU  20           HA       GLU  20  -4.346   1.355  13.388
  175   1HB   GLU  20          2HB       GLU  20  -4.075  -0.719  14.668
  176   2HB   GLU  20          3HB       GLU  20  -5.668  -0.562  13.926
  177   1HG   GLU  20          2HG       GLU  20  -4.786  -2.146  12.049
  178   2HG   GLU  20          3HG       GLU  20  -3.410  -2.425  13.128
  179    QB   GLU  20           QB       GLU  20  -4.871  -0.641  14.297
  180    QG   GLU  20           QG       GLU  20  -4.098  -2.286  12.589
  181    H    GLU  21           HN       GLU  21  -2.776  -0.852  11.056
  182    HA   GLU  21           HA       GLU  21  -0.230  -1.015  12.023
  183   1HB   GLU  21          2HB       GLU  21  -1.188  -0.589   9.188
  184   2HB   GLU  21          3HB       GLU  21   0.469  -0.734   9.474
  185   1HG   GLU  21          2HG       GLU  21  -1.294  -2.895  10.644
  186   2HG   GLU  21          3HG       GLU  21  -0.792  -2.941   8.957
  187    QB   GLU  21           QB       GLU  21  -0.359  -0.662   9.331
  188    QG   GLU  21           QG       GLU  21  -1.043  -2.918   9.801
  189    H    ASN  22           HN       ASN  22   1.655  -0.048  11.545
  190    HA   ASN  22           HA       ASN  22   1.629   2.929  11.697
  191   1HB   ASN  22          2HB       ASN  22   3.038   1.638  13.286
  192   2HB   ASN  22          3HB       ASN  22   3.962   0.987  11.916
  193   1HD2  ASN  22          2HD2      ASN  22   6.163   3.717  12.603
  194   2HD2  ASN  22          1HD2      ASN  22   5.941   1.978  12.708
  195    QB   ASN  22           QB       ASN  22   3.500   1.312  12.601
  196    QD2  ASN  22           QD2      ASN  22   6.052   2.847  12.656
  197    H    SER  23           HN       SER  23   2.120   0.322   9.384
  198    HA   SER  23           HA       SER  23   3.683   2.048   7.528
  199   1HB   SER  23          2HB       SER  23   3.193  -0.884   7.236
  200   2HB   SER  23          3HB       SER  23   4.517   0.106   6.663
  201    HG   SER  23           HG       SER  23   4.109  -0.976   9.222
  202    QB   SER  23           QB       SER  23   3.855  -0.389   6.950
  203    H    CYS  24           HN       CYS  24   3.008   1.911   5.262
  204    HA   CYS  24           HA       CYS  24   0.523   0.502   4.598
  205   1HB   CYS  24          2HB       CYS  24   0.716   3.529   4.341
  206   2HB   CYS  24          3HB       CYS  24  -0.431   2.546   3.415
  207    QB   CYS  24           QB       CYS  24   0.143   3.037   3.878
  208    OH   TYR  25           OH       TYR  25  -2.475  -4.008  -0.438
  209    H    TYR  25           HN       TYR  25   0.230   0.448   2.151
  210    HA   TYR  25           HA       TYR  25   2.829   0.811   0.783
  211   1HB   TYR  25          2HB       TYR  25   3.094  -1.486   0.327
  212   2HB   TYR  25          3HB       TYR  25   2.627  -1.465   2.019
  213    HD1  TYR  25           HD2      TYR  25   1.632  -2.332  -1.401
  214    HD2  TYR  25           HD1      TYR  25   0.350  -2.324   2.697
  215    HE1  TYR  25           HE2      TYR  25  -0.650  -3.051  -2.095
  216    HE2  TYR  25           HE1      TYR  25  -1.670  -3.613   2.049
  217    HH   TYR  25           HH       TYR  25  -2.772  -3.723  -1.321
  218    QB   TYR  25           QB       TYR  25   2.861  -1.476   1.173
  219    QR   TYR  25           QR       TYR  25  -0.084  -2.830   0.313
  220    H    LYS  26           HN       LYS  26   2.955   0.317  -1.385
  221    HA   LYS  26           HA       LYS  26   0.478   0.426  -3.023
  222   1HB   LYS  26          2HB       LYS  26   1.862   2.536  -3.190
  223   2HB   LYS  26          3HB       LYS  26   3.252   1.541  -3.625
  224   1HG   LYS  26          2HG       LYS  26   1.620   0.653  -5.537
  225   2HG   LYS  26          3HG       LYS  26   0.745   2.138  -5.224
  226   1HD   LYS  26          2HD       LYS  26   3.714   1.885  -5.930
  227   2HD   LYS  26          3HD       LYS  26   2.467   2.193  -7.124
  228   1HE   LYS  26          2HE       LYS  26   3.295   3.988  -4.812
  229   2HE   LYS  26          3HE       LYS  26   3.725   4.209  -6.529
  230   1HZ   LYS  26          1HZ       LYS  26   1.003   4.473  -5.379
  231   2HZ   LYS  26          2HZ       LYS  26   1.958   5.666  -5.759
  232   3HZ   LYS  26          3HZ       LYS  26   1.427   4.708  -6.976
  233    QB   LYS  26           QB       LYS  26   2.557   2.038  -3.407
  234    QG   LYS  26           QG       LYS  26   1.183   1.395  -5.380
  235    QD   LYS  26           QD       LYS  26   3.091   2.039  -6.527
  236    QE   LYS  26           QE       LYS  26   3.510   4.098  -5.670
  237    QZ   LYS  26           QZ       LYS  26   1.463   4.949  -6.038
  238    H    LYS  27           HN       LYS  27   0.308  -1.615  -3.901
  239    HA   LYS  27           HA       LYS  27   2.648  -3.265  -4.712
  240   1HB   LYS  27          2HB       LYS  27  -0.365  -3.732  -4.625
  241   2HB   LYS  27          3HB       LYS  27   0.705  -4.664  -5.669
  242   1HG   LYS  27          2HG       LYS  27   2.080  -5.275  -3.654
  243   2HG   LYS  27          3HG       LYS  27   0.739  -4.727  -2.660
  244   1HD   LYS  27          2HD       LYS  27   0.767  -6.919  -4.777
  245   2HD   LYS  27          3HD       LYS  27   0.580  -7.142  -3.045
  246   1HE   LYS  27          2HE       LYS  27  -1.479  -5.835  -4.898
  247   2HE   LYS  27          3HE       LYS  27  -1.520  -7.478  -4.279
  248   1HZ   LYS  27          3HZ       LYS  27  -1.653  -6.498  -2.003
  249   2HZ   LYS  27          1HZ       LYS  27  -1.879  -5.006  -2.734
  250   3HZ   LYS  27          2HZ       LYS  27  -2.927  -6.136  -2.987
  251    QB   LYS  27           QB       LYS  27   0.170  -4.198  -5.147
  252    QG   LYS  27           QG       LYS  27   1.410  -5.001  -3.157
  253    QD   LYS  27           QD       LYS  27   0.674  -7.031  -3.911
  254    QE   LYS  27           QE       LYS  27  -1.499  -6.657  -4.588
  255    QZ   LYS  27           QZ       LYS  27  -2.153  -5.880  -2.574
  256    OH   TYR  28           OH       TYR  28   8.194  -1.441  -6.632
  257    H    TYR  28           HN       TYR  28   3.112  -3.453  -7.042
  258    HA   TYR  28           HA       TYR  28   1.173  -2.320  -8.882
  259   1HB   TYR  28          2HB       TYR  28   3.023  -1.074  -9.942
  260   2HB   TYR  28          3HB       TYR  28   2.418  -0.386  -8.431
  261    HD1  TYR  28           HD1      TYR  28   5.317  -1.992 -10.095
  262    HD2  TYR  28           HD2      TYR  28   3.789  -0.382  -6.404
  263    HE1  TYR  28           HE1      TYR  28   7.594  -2.061  -9.116
  264    HE2  TYR  28           HE2      TYR  28   6.081  -0.265  -5.503
  265    HH   TYR  28           HH       TYR  28   8.172  -1.398  -5.668
  266    QB   TYR  28           QB       TYR  28   2.721  -0.730  -9.186
  267    QR   TYR  28           QR       TYR  28   5.695  -1.175  -7.779
  268    CH2  TRP  29           CH2      TRP  29  -2.577  -5.806  -8.371
  269    H    TRP  29           HN       TRP  29   1.178  -3.328 -10.828
  270    HA   TRP  29           HA       TRP  29   3.545  -4.706 -11.790
  271   1HB   TRP  29          2HB       TRP  29   2.461  -6.816 -12.093
  272   2HB   TRP  29          3HB       TRP  29   2.517  -6.420 -10.383
  273    HD1  TRP  29           HD1      TRP  29   0.261  -7.664 -12.964
  274    HE1  TRP  29           HE1      TRP  29  -2.110  -7.885 -12.113
  275    HE3  TRP  29           HE3      TRP  29   0.720  -4.993  -8.600
  276    HZ2  TRP  29           HZ2      TRP  29  -3.646  -7.049  -9.780
  277    HZ3  TRP  29           HZ3      TRP  29  -1.243  -4.596  -7.181
  278    HH2  TRP  29           HH2      TRP  29  -3.424  -5.667  -7.715
  279    QB   TRP  29           QB       TRP  29   2.489  -6.618 -11.238
  280    NH1  ARG  30           NH2      ARG  30   5.873  -3.622 -17.898
  281    NH2  ARG  30           NH1      ARG  30   6.229  -2.653 -19.973
  282    H    ARG  30           HN       ARG  30   2.747  -5.761 -14.078
  283    HA   ARG  30           HA       ARG  30   0.746  -4.145 -15.415
  284   1HB   ARG  30          2HB       ARG  30   2.555  -2.546 -15.375
  285   2HB   ARG  30          3HB       ARG  30   3.735  -3.765 -15.884
  286   1HG   ARG  30          2HG       ARG  30   1.409  -2.901 -17.634
  287   2HG   ARG  30          3HG       ARG  30   2.915  -2.005 -17.587
  288   1HD   ARG  30          2HD       ARG  30   3.500  -4.860 -18.061
  289   2HD   ARG  30          3HD       ARG  30   2.281  -4.271 -19.170
  290    HE   ARG  30           HE       ARG  30   3.748  -2.968 -20.243
  291   1HH1  ARG  30          2HH2      ARG  30   5.237  -4.036 -17.234
  292   2HH1  ARG  30          1HH2      ARG  30   6.851  -3.560 -17.658
  293   1HH2  ARG  30          2HH1      ARG  30   5.882  -2.344 -20.870
  294   2HH2  ARG  30          1HH1      ARG  30   7.217  -2.566 -19.788
  295    QB   ARG  30           QB       ARG  30   3.145  -3.156 -15.629
  296    QG   ARG  30           QG       ARG  30   2.162  -2.453 -17.610
  297    QD   ARG  30           QD       ARG  30   2.891  -4.566 -18.615
  298    QH1  ARG  30           QH2      ARG  30   6.044  -3.798 -17.446
  299    QH2  ARG  30           QH1      ARG  30   6.550  -2.455 -20.329
  300    H    ASP  31           HN       ASP  31   0.419  -4.905 -17.486
  301    HA   ASP  31           HA       ASP  31   1.613  -7.524 -18.258
  302   1HB   ASP  31          2HB       ASP  31  -1.340  -7.173 -17.491
  303   2HB   ASP  31          3HB       ASP  31  -0.662  -8.562 -18.357
  304    QB   ASP  31           QB       ASP  31  -1.001  -7.868 -17.924
  305    H    HIS  32           HN       HIS  32  -1.392  -5.788 -18.876
  306    HA   HIS  32           HA       HIS  32  -0.913  -5.833 -21.782
  307   1HB   HIS  32          2HB       HIS  32  -3.074  -6.479 -20.489
  308   2HB   HIS  32          3HB       HIS  32  -3.346  -4.750 -20.312
  309    HD1  HIS  32           HD1      HIS  32  -2.229  -6.801 -23.461
  310    HD2  HIS  32           HD2      HIS  32  -5.437  -4.531 -21.915
  311    HE1  HIS  32           HE1      HIS  32  -4.017  -6.705 -25.302
  312    HE2  HIS  32           HE2      HIS  32  -5.955  -5.313 -24.355
  313    QB   HIS  32           QB       HIS  32  -3.210  -5.615 -20.400
  314    NH1  ARG  33           NH2      ARG  33  -1.331   3.889 -23.613
  315    NH2  ARG  33           NH1      ARG  33  -3.599   3.700 -24.049
  316    H    ARG  33           HN       ARG  33  -2.537  -3.330 -22.155
  317    HA   ARG  33           HA       ARG  33  -0.243  -1.561 -22.235
  318   1HB   ARG  33          2HB       ARG  33  -2.205  -2.152 -23.983
  319   2HB   ARG  33          3HB       ARG  33  -2.974  -0.755 -23.250
  320   1HG   ARG  33          2HG       ARG  33  -0.144  -0.850 -24.421
  321   2HG   ARG  33          3HG       ARG  33  -1.573  -0.418 -25.357
  322   1HD   ARG  33          2HD       ARG  33  -0.562   1.137 -22.937
  323   2HD   ARG  33          3HD       ARG  33  -0.265   1.538 -24.642
  324    HE   ARG  33           HE       ARG  33  -3.077   1.237 -24.175
  325   1HH1  ARG  33          2HH2      ARG  33  -0.436   3.445 -23.475
  326   2HH1  ARG  33          1HH2      ARG  33  -1.394   4.892 -23.519
  327   1HH2  ARG  33          2HH1      ARG  33  -4.408   3.138 -24.270
  328   2HH2  ARG  33          1HH1      ARG  33  -3.721   4.699 -23.966
  329    QB   ARG  33           QB       ARG  33  -2.589  -1.454 -23.616
  330    QG   ARG  33           QG       ARG  33  -0.858  -0.634 -24.889
  331    QD   ARG  33           QD       ARG  33  -0.413   1.337 -23.789
  332    QH1  ARG  33           QH2      ARG  33  -0.915   4.168 -23.497
  333    QH2  ARG  33           QH1      ARG  33  -4.064   3.918 -24.118
  334    H    GLY  34           HN       GLY  34  -1.030  -2.069 -19.590
  335   1HA   GLY  34          1HA       GLY  34  -1.030   0.584 -18.614
  336   2HA   GLY  34          2HA       GLY  34  -2.650  -0.090 -18.335
  337    QA   GLY  34           QA       GLY  34  -1.840   0.247 -18.474
  338    H    THR  35           HN       THR  35  -0.866   0.627 -16.291
  339    HA   THR  35           HA       THR  35   0.175  -1.903 -15.184
  340    HB   THR  35           HB       THR  35   1.692  -0.020 -15.316
  341    HG1  THR  35          1HG       THR  35   1.517  -1.552 -13.385
  342   1HG2  THR  35          3HG2      THR  35  -0.163   1.443 -13.402
  343   2HG2  THR  35          1HG2      THR  35   1.486   1.917 -13.819
  344   3HG2  THR  35          2HG2      THR  35   0.230   1.928 -15.061
  345    QG2  THR  35           QG2      THR  35   0.518   1.763 -14.094
  346    H    ILE  36           HN       ILE  36  -0.608  -2.761 -13.294
  347    HA   ILE  36           HA       ILE  36  -3.183  -1.669 -12.259
  348    HB   ILE  36           HB       ILE  36  -2.060  -4.467 -11.996
  349   1HG1  ILE  36          2HG1      ILE  36  -4.268  -3.387 -13.811
  350   2HG1  ILE  36          3HG1      ILE  36  -2.681  -3.964 -14.344
  351   1HG2  ILE  36          3HG2      ILE  36  -3.581  -3.641 -10.142
  352   2HG2  ILE  36          1HG2      ILE  36  -4.819  -3.297 -11.364
  353   3HG2  ILE  36          2HG2      ILE  36  -4.295  -4.962 -11.067
  354   1HD1  ILE  36          3HD1      ILE  36  -3.204  -6.224 -13.439
  355   2HD1  ILE  36          1HD1      ILE  36  -4.865  -5.672 -13.109
  356   3HD1  ILE  36          2HD1      ILE  36  -4.253  -5.696 -14.765
  357    QG1  ILE  36           QG1      ILE  36  -3.474  -3.676 -14.077
  358    QG2  ILE  36           QG2      ILE  36  -4.232  -3.967 -10.857
  359    QD1  ILE  36           QD1      ILE  36  -4.107  -5.864 -13.771
  360    H    ILE  37           HN       ILE  37  -2.719  -0.356 -10.636
  361    HA   ILE  37           HA       ILE  37  -0.555  -0.933  -8.696
  362    HB   ILE  37           HB       ILE  37  -2.204   1.620  -9.037
  363   1HG1  ILE  37          2HG1      ILE  37  -1.081   1.338 -11.175
  364   2HG1  ILE  37          3HG1      ILE  37  -0.355   2.639 -10.255
  365   1HG2  ILE  37          2HG2      ILE  37   0.495   0.957  -7.708
  366   2HG2  ILE  37          3HG2      ILE  37  -0.118   2.589  -7.895
  367   3HG2  ILE  37          1HG2      ILE  37  -0.989   1.414  -6.876
  368   1HD1  ILE  37          2HD1      ILE  37   0.811  -0.162 -10.525
  369   2HD1  ILE  37          3HD1      ILE  37   1.310   1.271 -11.436
  370   3HD1  ILE  37          1HD1      ILE  37   1.564   1.234  -9.697
  371    QG1  ILE  37           QG1      ILE  37  -0.718   1.988 -10.715
  372    QG2  ILE  37           QG2      ILE  37  -0.204   1.653  -7.493
  373    QD1  ILE  37           QD1      ILE  37   1.228   0.781 -10.552
  374    H    GLU  38           HN       GLU  38  -1.226  -1.337  -6.522
  375    HA   GLU  38           HA       GLU  38  -4.024  -0.893  -5.763
  376   1HB   GLU  38          2HB       GLU  38  -4.112  -3.113  -6.724
  377   2HB   GLU  38          3HB       GLU  38  -2.781  -3.660  -5.697
  378   1HG   GLU  38          2HG       GLU  38  -5.208  -2.516  -4.302
  379   2HG   GLU  38          3HG       GLU  38  -5.383  -4.050  -5.124
  380    QB   GLU  38           QB       GLU  38  -3.446  -3.387  -6.210
  381    QG   GLU  38           QG       GLU  38  -5.295  -3.283  -4.713
  382    NH1  ARG  39           NH2      ARG  39  -1.629   3.896  -6.076
  383    NH2  ARG  39           NH1      ARG  39  -3.842   3.584  -6.667
  384    H    ARG  39           HN       ARG  39  -4.187  -1.004  -3.283
  385    HA   ARG  39           HA       ARG  39  -1.594  -0.435  -2.038
  386   1HB   ARG  39          2HB       ARG  39  -4.036   1.394  -1.962
  387   2HB   ARG  39          3HB       ARG  39  -2.408   1.671  -1.353
  388   1HG   ARG  39          2HG       ARG  39  -1.611   1.575  -3.799
  389   2HG   ARG  39          3HG       ARG  39  -3.337   1.569  -4.232
  390   1HD   ARG  39          2HD       ARG  39  -3.159   3.692  -2.438
  391   2HD   ARG  39          3HD       ARG  39  -1.603   3.748  -3.280
  392    HE   ARG  39           HE       ARG  39  -4.157   4.502  -4.266
  393   1HH1  ARG  39          2HH2      ARG  39  -1.094   4.519  -5.455
  394   2HH1  ARG  39          1HH2      ARG  39  -1.343   3.774  -7.026
  395   1HH2  ARG  39          2HH1      ARG  39  -4.738   3.252  -6.309
  396   2HH2  ARG  39          1HH1      ARG  39  -3.625   3.432  -7.642
  397    QB   ARG  39           QB       ARG  39  -3.222   1.532  -1.657
  398    QG   ARG  39           QG       ARG  39  -2.474   1.572  -4.015
  399    QD   ARG  39           QD       ARG  39  -2.381   3.720  -2.859
  400    QH1  ARG  39           QH2      ARG  39  -1.218   4.146  -6.240
  401    QH2  ARG  39           QH1      ARG  39  -4.181   3.342  -6.975
  402    H    GLY  40           HN       GLY  40  -1.848  -0.215   0.324
  403   1HA   GLY  40          1HA       GLY  40  -4.331  -0.401   1.606
  404   2HA   GLY  40          2HA       GLY  40  -3.663  -2.049   1.546
  405    QA   GLY  40           QA       GLY  40  -3.997  -1.225   1.576
  406    H    CYS  41           HN       CYS  41  -3.721  -1.637   3.964
  407    HA   CYS  41           HA       CYS  41  -1.661   0.134   5.018
  408   1HB   CYS  41          2HB       CYS  41  -3.053   0.210   6.899
  409   2HB   CYS  41          3HB       CYS  41  -4.209  -0.080   5.631
  410    QB   CYS  41           QB       CYS  41  -3.631   0.065   6.265
  411    H    GLY  42           HN       GLY  42  -0.204  -0.693   6.698
  412   1HA   GLY  42          1HA       GLY  42   1.190  -2.286   7.637
  413   2HA   GLY  42          2HA       GLY  42   0.318  -3.594   6.823
  414    QA   GLY  42           QA       GLY  42   0.754  -2.940   7.230
  415    H    CYS  43           HN       CYS  43   2.663  -4.251   6.515
  416    HA   CYS  43           HA       CYS  43   3.600  -3.409   3.830
  417   1HB   CYS  43          2HB       CYS  43   4.786  -1.914   5.332
  418   2HB   CYS  43          3HB       CYS  43   5.369  -3.272   6.298
  419    QB   CYS  43           QB       CYS  43   5.078  -2.593   5.815
  420    HA   PRO  44           HA       PRO  44   3.946  -7.964   4.760
  421   1HB   PRO  44          2HB       PRO  44   2.245  -8.992   2.916
  422   2HB   PRO  44          3HB       PRO  44   1.632  -8.240   4.417
  423   1HG   PRO  44          2HG       PRO  44   1.926  -6.918   1.695
  424   2HG   PRO  44          3HG       PRO  44   0.462  -6.977   2.722
  425   1HD   PRO  44          2HD       PRO  44   2.166  -4.850   2.756
  426   2HD   PRO  44          3HD       PRO  44   1.371  -5.421   4.251
  427    QB   PRO  44           QB       PRO  44   1.939  -8.616   3.667
  428    QG   PRO  44           QG       PRO  44   1.194  -6.948   2.209
  429    QD   PRO  44           QD       PRO  44   1.769  -5.136   3.504
  430    H    LYS  45           HN       LYS  45   4.944  -9.643   3.324
  431    HA   LYS  45           HA       LYS  45   6.384  -8.425   1.039
  432   1HB   LYS  45          2HB       LYS  45   7.708  -9.588   2.619
  433   2HB   LYS  45          3HB       LYS  45   6.794 -11.088   2.336
  434   1HG   LYS  45          2HG       LYS  45   8.915 -11.234   1.225
  435   2HG   LYS  45          3HG       LYS  45   7.654 -11.160   0.025
  436   1HD   LYS  45          2HD       LYS  45   9.584  -9.821  -0.648
  437   2HD   LYS  45          3HD       LYS  45   8.175  -8.806  -0.478
  438   1HE   LYS  45          2HE       LYS  45  10.112  -7.665   0.404
  439   2HE   LYS  45          3HE       LYS  45   8.958  -7.952   1.702
  440   1HZ   LYS  45          2HZ       LYS  45  11.378  -9.562   1.165
  441   2HZ   LYS  45          3HZ       LYS  45  11.215  -8.440   2.352
  442   3HZ   LYS  45          1HZ       LYS  45  10.319  -9.814   2.403
  443    QB   LYS  45           QB       LYS  45   7.251 -10.338   2.478
  444    QG   LYS  45           QG       LYS  45   8.285 -11.197   0.625
  445    QD   LYS  45           QD       LYS  45   8.880  -9.314  -0.563
  446    QE   LYS  45           QE       LYS  45   9.535  -7.809   1.053
  447    QZ   LYS  45           QZ       LYS  45  10.971  -9.272   1.974
  448    H    VAL  46           HN       VAL  46   6.286  -9.175  -0.826
  449    HA   VAL  46           HA       VAL  46   3.918 -10.785  -1.724
  450    HB   VAL  46           HB       VAL  46   3.596  -9.354  -3.610
  451   1HG1  VAL  46          3HG1      VAL  46   2.451  -8.768  -1.513
  452   2HG1  VAL  46          1HG1      VAL  46   3.794  -7.704  -1.052
  453   3HG1  VAL  46          2HG1      VAL  46   2.823  -7.330  -2.482
  454   1HG2  VAL  46          2HG2      VAL  46   5.903  -8.641  -4.071
  455   2HG2  VAL  46          3HG2      VAL  46   4.813  -7.264  -3.943
  456   3HG2  VAL  46          1HG2      VAL  46   5.904  -7.656  -2.596
  457    QG1  VAL  46           QG1      VAL  46   3.023  -7.934  -1.682
  458    QG2  VAL  46           QG2      VAL  46   5.540  -7.854  -3.536
  459    QQG  VAL  46           QQG      VAL  46   4.281  -7.894  -2.609
  460    H    LYS  47           HN       LYS  47   4.258 -11.376  -4.168
  461    HA   LYS  47           HA       LYS  47   6.676 -13.087  -4.015
  462   1HB   LYS  47          2HB       LYS  47   4.311 -13.752  -5.719
  463   2HB   LYS  47          3HB       LYS  47   5.394 -14.824  -4.838
  464   1HG   LYS  47          2HG       LYS  47   3.102 -13.181  -3.733
  465   2HG   LYS  47          3HG       LYS  47   3.185 -14.925  -3.881
  466   1HD   LYS  47          2HD       LYS  47   4.760 -15.158  -2.102
  467   2HD   LYS  47          3HD       LYS  47   5.137 -13.448  -2.062
  468   1HE   LYS  47          2HE       LYS  47   2.558 -13.120  -1.522
  469   2HE   LYS  47          3HE       LYS  47   2.623 -14.835  -1.107
  470   1HZ   LYS  47          3HZ       LYS  47   4.435 -14.189   0.468
  471   2HZ   LYS  47          1HZ       LYS  47   4.099 -12.593   0.166
  472   3HZ   LYS  47          2HZ       LYS  47   2.964 -13.554   0.815
  473    QB   LYS  47           QB       LYS  47   4.853 -14.288  -5.278
  474    QG   LYS  47           QG       LYS  47   3.144 -14.053  -3.807
  475    QD   LYS  47           QD       LYS  47   4.949 -14.303  -2.082
  476    QE   LYS  47           QE       LYS  47   2.591 -13.978  -1.314
  477    QZ   LYS  47           QZ       LYS  47   3.833 -13.445   0.483
  478    HA   PRO  48           HA       PRO  48   8.561 -11.111  -7.143
  479   1HB   PRO  48          2HB       PRO  48   9.540 -12.971  -8.992
  480   2HB   PRO  48          3HB       PRO  48  10.189 -12.681  -7.351
  481   1HG   PRO  48          2HG       PRO  48   8.205 -14.787  -8.218
  482   2HG   PRO  48          3HG       PRO  48   9.653 -15.002  -7.187
  483   1HD   PRO  48          2HD       PRO  48   7.206 -14.773  -6.100
  484   2HD   PRO  48          3HD       PRO  48   8.579 -13.908  -5.339
  485    QB   PRO  48           QB       PRO  48   9.865 -12.826  -8.171
  486    QG   PRO  48           QG       PRO  48   8.929 -14.895  -7.702
  487    QD   PRO  48           QD       PRO  48   7.893 -14.341  -5.719
  488    H    GLY  49           HN       GLY  49   8.553 -10.103  -9.196
  489   1HA   GLY  49          1HA       GLY  49   7.836  -9.564 -11.291
  490   2HA   GLY  49          2HA       GLY  49   6.556 -10.763 -11.129
  491    QA   GLY  49           QA       GLY  49   7.196 -10.164 -11.210
  492    H    VAL  50           HN       VAL  50   5.480 -10.042  -8.655
  493    HA   VAL  50           HA       VAL  50   4.020  -7.587  -9.321
  494    HB   VAL  50           HB       VAL  50   3.737  -9.414  -6.909
  495   1HG1  VAL  50          1HG1      VAL  50   1.890  -7.288  -8.077
  496   2HG1  VAL  50          2HG1      VAL  50   1.506  -8.361  -6.718
  497   3HG1  VAL  50          3HG1      VAL  50   2.790  -7.148  -6.551
  498   1HG2  VAL  50          3HG2      VAL  50   2.253  -9.369  -9.572
  499   2HG2  VAL  50          1HG2      VAL  50   3.255 -10.691  -8.940
  500   3HG2  VAL  50          2HG2      VAL  50   1.734 -10.281  -8.144
  501    QG1  VAL  50           QG1      VAL  50   2.062  -7.599  -7.115
  502    QG2  VAL  50           QG2      VAL  50   2.414 -10.114  -8.885
  503    QQG  VAL  50           QQG      VAL  50   2.238  -8.856  -8.000
  504    H    GLY  51           HN       GLY  51   5.064  -5.651  -8.904
  505   1HA   GLY  51          1HA       GLY  51   7.207  -5.573  -7.033
  506   2HA   GLY  51          2HA       GLY  51   6.644  -4.230  -7.996
  507    QA   GLY  51           QA       GLY  51   6.926  -4.902  -7.514
  508    H    ILE  52           HN       ILE  52   7.285  -3.675  -5.509
  509    HA   ILE  52           HA       ILE  52   4.793  -2.823  -4.311
  510    HB   ILE  52           HB       ILE  52   4.940  -5.055  -3.355
  511   1HG1  ILE  52          2HG1      ILE  52   5.772  -3.211  -1.106
  512   2HG1  ILE  52          3HG1      ILE  52   4.230  -2.997  -1.955
  513   1HG2  ILE  52          2HG2      ILE  52   7.721  -4.223  -2.391
  514   2HG2  ILE  52          3HG2      ILE  52   6.877  -5.668  -1.843
  515   3HG2  ILE  52          1HG2      ILE  52   7.332  -5.516  -3.541
  516   1HD1  ILE  52          1HD1      ILE  52   5.051  -5.543  -0.527
  517   2HD1  ILE  52          2HD1      ILE  52   3.943  -4.303   0.081
  518   3HD1  ILE  52          3HD1      ILE  52   3.511  -5.232  -1.365
  519    QG1  ILE  52           QG1      ILE  52   5.001  -3.104  -1.530
  520    QG2  ILE  52           QG2      ILE  52   7.310  -5.136  -2.591
  521    QD1  ILE  52           QD1      ILE  52   4.168  -5.026  -0.603
  522    H    HIS  53           HN       HIS  53   5.050  -1.173  -2.724
  523    HA   HIS  53           HA       HIS  53   7.710  -0.729  -1.628
  524   1HB   HIS  53          2HB       HIS  53   7.510   0.822  -3.666
  525   2HB   HIS  53          3HB       HIS  53   6.184   1.626  -2.839
  526    HD1  HIS  53           HD1      HIS  53   9.988   1.089  -2.539
  527    HD2  HIS  53           HD2      HIS  53   6.801   3.005  -0.547
  528    HE1  HIS  53           HE1      HIS  53  11.029   2.451  -0.619
  529    HE2  HIS  53           HE2      HIS  53   9.060   3.571   0.603
  530    QB   HIS  53           QB       HIS  53   6.847   1.224  -3.252
  531    H    CYS  54           HN       CYS  54   7.433  -0.173   0.587
  532    HA   CYS  54           HA       CYS  54   4.779   0.818   1.389
  533   1HB   CYS  54          2HB       CYS  54   4.748  -0.456   3.289
  534   2HB   CYS  54          3HB       CYS  54   5.271  -1.566   2.044
  535    QB   CYS  54           QB       CYS  54   5.010  -1.011   2.667
  536    H    CYS  55           HN       CYS  55   4.725   2.113   3.271
  537    HA   CYS  55           HA       CYS  55   7.079   3.752   3.792
  538   1HB   CYS  55          2HB       CYS  55   5.961   5.801   2.939
  539   2HB   CYS  55          3HB       CYS  55   6.477   4.660   1.709
  540    QB   CYS  55           QB       CYS  55   6.219   5.230   2.324
  541    H    GLN  56           HN       GLN  56   6.728   5.366   5.261
  542    HA   GLN  56           HA       GLN  56   5.019   4.213   7.386
  543   1HB   GLN  56          2HB       GLN  56   7.725   5.560   7.623
  544   2HB   GLN  56          3HB       GLN  56   6.859   4.666   8.874
  545   1HG   GLN  56          2HG       GLN  56   8.091   3.552   6.319
  546   2HG   GLN  56          3HG       GLN  56   8.597   3.248   7.978
  547   1HE2  GLN  56          2HE2      GLN  56   5.780   0.998   8.651
  548   2HE2  GLN  56          1HE2      GLN  56   6.637   2.328   9.424
  549    QB   GLN  56           QB       GLN  56   7.292   5.113   8.249
  550    QG   GLN  56           QG       GLN  56   8.344   3.400   7.149
  551    QE2  GLN  56           QE2      GLN  56   6.209   1.663   9.038
  552    H    SER  57           HN       SER  57   3.842   6.365   5.916
  553    HA   SER  57           HA       SER  57   3.307   8.168   8.165
  554   1HB   SER  57          2HB       SER  57   3.743  10.203   6.573
  555   2HB   SER  57          3HB       SER  57   5.090   9.468   7.458
  556    HG   SER  57           HG       SER  57   4.455   8.506   4.902
  557    QB   SER  57           QB       SER  57   4.417   9.835   7.016
  558    H    ASP  58           HN       ASP  58   1.313   9.251   8.016
  559    HA   ASP  58           HA       ASP  58  -0.662   7.860   6.739
  560   1HB   ASP  58          2HB       ASP  58  -0.706  10.709   7.791
  561   2HB   ASP  58          3HB       ASP  58  -2.137   9.774   7.325
  562    QB   ASP  58           QB       ASP  58  -1.421  10.241   7.558
  563    H    LYS  59           HN       LYS  59  -1.848   8.024   4.922
  564    HA   LYS  59           HA       LYS  59  -2.183   8.320   2.682
  565   1HB   LYS  59          2HB       LYS  59  -1.830  11.214   3.537
  566   2HB   LYS  59          3HB       LYS  59  -2.544  10.716   2.019
  567   1HG   LYS  59          2HG       LYS  59  -4.241   9.360   3.246
  568   2HG   LYS  59          3HG       LYS  59  -3.653  10.018   4.766
  569   1HD   LYS  59          2HD       LYS  59  -4.955  11.482   2.416
  570   2HD   LYS  59          3HD       LYS  59  -5.620  11.266   4.027
  571   1HE   LYS  59          2HE       LYS  59  -3.352  13.090   3.134
  572   2HE   LYS  59          3HE       LYS  59  -4.887  13.533   3.884
  573   1HZ   LYS  59          1HZ       LYS  59  -4.080  12.362   5.901
  574   2HZ   LYS  59          2HZ       LYS  59  -2.613  12.173   5.177
  575   3HZ   LYS  59          3HZ       LYS  59  -3.180  13.676   5.498
  576    QB   LYS  59           QB       LYS  59  -2.187  10.965   2.778
  577    QG   LYS  59           QG       LYS  59  -3.947   9.689   4.006
  578    QD   LYS  59           QD       LYS  59  -5.287  11.374   3.222
  579    QE   LYS  59           QE       LYS  59  -4.119  13.311   3.509
  580    QZ   LYS  59           QZ       LYS  59  -3.291  12.737   5.526
  581    H    CYS  60           HN       CYS  60   0.787   8.037   3.539
  582    HA   CYS  60           HA       CYS  60   2.251   9.306   1.408
  583   1HB   CYS  60          2HB       CYS  60   4.046   7.842   1.997
  584   2HB   CYS  60          3HB       CYS  60   3.238   8.398   3.453
  585    QB   CYS  60           QB       CYS  60   3.642   8.120   2.725
  586    H    ASN  61           HN       ASN  61   0.433   6.290   1.711
  587    HA   ASN  61           HA       ASN  61   1.638   5.109  -0.626
  588   1HB   ASN  61          2HB       ASN  61   0.505   3.174  -0.038
  589   2HB   ASN  61          3HB       ASN  61   1.005   3.886   1.497
  590   1HD2  ASN  61          2HD2      ASN  61  -2.790   2.786   1.020
  591   2HD2  ASN  61          1HD2      ASN  61  -1.283   2.020   0.511
  592    QB   ASN  61           QB       ASN  61   0.755   3.530   0.730
  593    QD2  ASN  61           QD2      ASN  61  -2.036   2.403   0.766
  594    OH   TYR  62           OH       TYR  62  -5.422  11.961  -4.132
  595    H    TYR  62           HN       TYR  62   0.660   7.271  -1.760
  596    HA   TYR  62           HA       TYR  62  -2.080   6.837  -2.830
  597   1HB   TYR  62          2HB       TYR  62  -0.313   9.036  -2.485
  598   2HB   TYR  62          3HB       TYR  62  -0.281   8.743  -4.212
  599    HD1  TYR  62           HD2      TYR  62  -3.168   8.055  -4.745
  600    HD2  TYR  62           HD1      TYR  62  -1.284  11.168  -2.456
  601    HE1  TYR  62           HE2      TYR  62  -5.137   9.519  -5.121
  602    HE2  TYR  62           HE1      TYR  62  -3.208  12.656  -2.904
  603    HH   TYR  62           HH       TYR  62  -6.077  11.612  -4.738
  604    QB   TYR  62           QB       TYR  62  -0.297   8.889  -3.348
  605    QR   TYR  62           QR       TYR  62  -3.199  10.349  -3.806
   
  Start of MODEL           2
 Raw file had 605 H/Q atoms
  Start of MODEL    2
    1    NH1  ARG   1           NH2      ARG   1   1.434   7.979  10.617
    2    NH2  ARG   1           NH1      ARG   1   3.107   6.417  10.175
    3    H    ARG   1           HN       ARG   1  -4.392   3.590  11.773
    4    HA   ARG   1           HA       ARG   1  -3.006   6.137  11.206
    5   1HB   ARG   1          2HB       ARG   1  -1.535   4.081  11.263
    6   2HB   ARG   1          3HB       ARG   1  -2.572   3.340  10.046
    7   1HG   ARG   1          2HG       ARG   1  -0.582   4.059   8.994
    8   2HG   ARG   1          3HG       ARG   1  -1.880   5.058   8.396
    9   1HD   ARG   1          2HD       ARG   1  -0.640   6.852   8.966
   10   2HD   ARG   1          3HD       ARG   1  -0.924   6.492  10.670
   11    HE   ARG   1           HE       ARG   1   1.257   4.917   9.669
   12   1HH1  ARG   1          2HH2      ARG   1   0.439   8.235  10.599
   13   2HH1  ARG   1          1HH2      ARG   1   2.066   8.742  10.799
   14   1HH2  ARG   1          2HH1      ARG   1   3.304   5.431  10.001
   15   2HH2  ARG   1          1HH1      ARG   1   3.872   7.082  10.152
   16    QB   ARG   1           QB       ARG   1  -2.054   3.710  10.655
   17    QG   ARG   1           QG       ARG   1  -1.231   4.559   8.695
   18    QD   ARG   1           QD       ARG   1  -0.782   6.672   9.818
   19    QH1  ARG   1           QH2      ARG   1   1.252   8.489  10.699
   20    QH2  ARG   1           QH1      ARG   1   3.588   6.257  10.076
   21    H    ILE   2           HN       ILE   2  -3.220   6.809   8.808
   22    HA   ILE   2           HA       ILE   2  -5.792   5.864   7.614
   23    HB   ILE   2           HB       ILE   2  -4.531   8.605   7.334
   24   1HG1  ILE   2          2HG1      ILE   2  -5.337   8.424   9.635
   25   2HG1  ILE   2          3HG1      ILE   2  -6.285   9.556   8.682
   26   1HG2  ILE   2          2HG2      ILE   2  -7.221   7.504   6.414
   27   2HG2  ILE   2          3HG2      ILE   2  -6.712   9.202   6.299
   28   3HG2  ILE   2          1HG2      ILE   2  -5.852   7.950   5.394
   29   1HD1  ILE   2          2HD1      ILE   2  -7.158   6.720   9.381
   30   2HD1  ILE   2          3HD1      ILE   2  -7.704   8.211  10.158
   31   3HD1  ILE   2          1HD1      ILE   2  -8.114   7.909   8.466
   32    QG1  ILE   2           QG1      ILE   2  -5.811   8.990   9.159
   33    QG2  ILE   2           QG2      ILE   2  -6.595   8.219   6.036
   34    QD1  ILE   2           QD1      ILE   2  -7.659   7.613   9.335
   35    H    CYS   3           HN       CYS   3  -5.587   5.100   5.529
   36    HA   CYS   3           HA       CYS   3  -3.042   5.603   4.044
   37   1HB   CYS   3          2HB       CYS   3  -4.301   2.887   4.560
   38   2HB   CYS   3          3HB       CYS   3  -3.052   3.202   3.356
   39    QB   CYS   3           QB       CYS   3  -3.677   3.044   3.958
   40    OH   TYR   4           OH       TYR   4  -4.610  11.579  -0.292
   41    H    TYR   4           HN       TYR   4  -3.247   5.346   1.792
   42    HA   TYR   4           HA       TYR   4  -5.921   5.774   0.652
   43   1HB   TYR   4          2HB       TYR   4  -3.125   5.640  -0.394
   44   2HB   TYR   4          3HB       TYR   4  -4.451   5.542  -1.506
   45    HD1  TYR   4           HD2      TYR   4  -6.160   7.519  -1.576
   46    HD2  TYR   4           HD1      TYR   4  -2.381   7.730   0.492
   47    HE1  TYR   4           HE2      TYR   4  -6.318   9.974  -1.551
   48    HE2  TYR   4           HE1      TYR   4  -2.443  10.204   0.253
   49    HH   TYR   4           HH       TYR   4  -5.318  11.974  -0.806
   50    QB   TYR   4           QB       TYR   4  -3.788   5.591  -0.950
   51    QR   TYR   4           QR       TYR   4  -4.326   8.857  -0.596
   52    H    ASN   5           HN       ASN   5  -6.995   4.295  -0.614
   53    HA   ASN   5           HA       ASN   5  -6.028   1.463  -0.741
   54   1HB   ASN   5          2HB       ASN   5  -8.088   0.636   0.216
   55   2HB   ASN   5          3HB       ASN   5  -7.254   1.674   1.371
   56   1HD2  ASN   5          2HD2      ASN   5  -9.635   4.400   0.986
   57   2HD2  ASN   5          1HD2      ASN   5  -7.952   4.035   1.331
   58    QB   ASN   5           QB       ASN   5  -7.671   1.155   0.794
   59    QD2  ASN   5           QD2      ASN   5  -8.793   4.217   1.158
   60    H    HIS   6           HN       HIS   6  -6.280   3.464  -2.836
   61    HA   HIS   6           HA       HIS   6  -8.721   2.637  -4.329
   62   1HB   HIS   6          2HB       HIS   6  -8.087   4.324  -5.997
   63   2HB   HIS   6          3HB       HIS   6  -8.503   4.938  -4.419
   64    HD1  HIS   6           HD1      HIS   6  -6.072   5.600  -7.031
   65    HD2  HIS   6           HD2      HIS   6  -6.248   5.651  -2.825
   66    HE1  HIS   6           HE1      HIS   6  -4.197   7.277  -6.161
   67    HE2  HIS   6           HE2      HIS   6  -4.260   7.206  -3.720
   68    QB   HIS   6           QB       HIS   6  -8.295   4.631  -5.208
   69    H    GLN   7           HN       GLN   7  -8.456   2.004  -6.606
   70    HA   GLN   7           HA       GLN   7  -6.046   0.299  -7.055
   71   1HB   GLN   7          2HB       GLN   7  -8.232  -0.832  -7.007
   72   2HB   GLN   7          3HB       GLN   7  -8.828   0.237  -8.284
   73   1HG   GLN   7          2HG       GLN   7  -7.264  -0.774  -9.887
   74   2HG   GLN   7          3HG       GLN   7  -6.485  -1.694  -8.578
   75   1HE2  GLN   7          2HE2      GLN   7 -10.339  -2.821  -9.564
   76   2HE2  GLN   7          1HE2      GLN   7  -9.960  -1.112  -9.450
   77    QB   GLN   7           QB       GLN   7  -8.530  -0.297  -7.646
   78    QG   GLN   7           QG       GLN   7  -6.875  -1.234  -9.233
   79    QE2  GLN   7           QE2      GLN   7 -10.149  -1.967  -9.507
   80    H    SER   8           HN       SER   8  -5.395   0.350  -9.415
   81    HA   SER   8           HA       SER   8  -5.065   2.815 -10.736
   82   1HB   SER   8          2HB       SER   8  -4.029   0.944 -11.770
   83   2HB   SER   8          3HB       SER   8  -5.580   0.065 -11.925
   84    HG   SER   8           HG       SER   8  -4.838   1.098 -13.880
   85    QB   SER   8           QB       SER   8  -4.804   0.505 -11.848
   86    H    THR   9           HN       THR   9  -6.409   4.107 -11.973
   87    HA   THR   9           HA       THR   9  -8.104   4.915 -13.153
   88    HB   THR   9           HB       THR   9  -9.274   2.100 -13.186
   89    HG1  THR   9          1HG       THR   9  -7.013   2.277 -13.867
   90   1HG2  THR   9          1HG2      THR   9  -9.508   4.461 -15.093
   91   2HG2  THR   9          2HG2      THR   9 -10.146   2.828 -15.374
   92   3HG2  THR   9          3HG2      THR   9 -10.811   3.820 -14.065
   93    QG2  THR   9           QG2      THR   9 -10.155   3.703 -14.844
   94    H    THR  10           HN       THR  10  -9.125   2.960 -10.368
   95    HA   THR  10           HA       THR  10 -11.639   4.263  -9.992
   96    HB   THR  10           HB       THR  10 -11.558   3.294  -7.746
   97    HG1  THR  10          1HG       THR  10  -8.813   3.132  -8.329
   98   1HG2  THR  10          2HG2      THR  10 -12.028   1.782  -9.684
   99   2HG2  THR  10          3HG2      THR  10 -10.303   1.394  -9.788
  100   3HG2  THR  10          1HG2      THR  10 -11.216   0.948  -8.337
  101    QG2  THR  10           QG2      THR  10 -11.182   1.374  -9.270
  102    NH1  ARG  11           NH2      ARG  11 -12.604  12.576  -5.844
  103    NH2  ARG  11           NH1      ARG  11 -13.156  14.095  -7.506
  104    H    ARG  11           HN       ARG  11 -12.218   5.878  -8.453
  105    HA   ARG  11           HA       ARG  11 -10.488   8.135  -8.536
  106   1HB   ARG  11          2HB       ARG  11 -13.084   7.972  -8.431
  107   2HB   ARG  11          3HB       ARG  11 -12.881   7.865  -6.674
  108   1HG   ARG  11          2HG       ARG  11 -11.656  10.063  -6.750
  109   2HG   ARG  11          3HG       ARG  11 -11.875  10.089  -8.512
  110   1HD   ARG  11          2HD       ARG  11 -14.392   9.928  -8.087
  111   2HD   ARG  11          3HD       ARG  11 -14.075  10.273  -6.393
  112    HE   ARG  11           HE       ARG  11 -14.094  12.074  -8.661
  113   1HH1  ARG  11          2HH2      ARG  11 -12.603  11.625  -5.505
  114   2HH1  ARG  11          1HH2      ARG  11 -12.202  13.297  -5.264
  115   1HH2  ARG  11          2HH1      ARG  11 -13.559  14.306  -8.409
  116   2HH2  ARG  11          1HH1      ARG  11 -12.760  14.859  -6.976
  117    QB   ARG  11           QB       ARG  11 -12.983   7.919  -7.552
  118    QG   ARG  11           QG       ARG  11 -11.765  10.076  -7.631
  119    QD   ARG  11           QD       ARG  11 -14.233  10.101  -7.240
  120    QH1  ARG  11           QH2      ARG  11 -12.403  12.461  -5.385
  121    QH2  ARG  11           QH1      ARG  11 -13.159  14.582  -7.693
  122    H    ALA  12           HN       ALA  12  -9.411   9.224  -6.746
  123    HA   ALA  12           HA       ALA  12  -8.035   7.429  -5.034
  124   1HB   ALA  12          2HB       ALA  12  -7.059   9.533  -5.829
  125   2HB   ALA  12          3HB       ALA  12  -8.246  10.459  -4.882
  126   3HB   ALA  12          1HB       ALA  12  -7.035   9.455  -4.054
  127    QB   ALA  12           QB       ALA  12  -7.447   9.816  -4.922
  128    H    THR  13           HN       THR  13  -8.557   6.598  -3.048
  129    HA   THR  13           HA       THR  13 -10.533   7.950  -1.311
  130    HB   THR  13           HB       THR  13 -11.421   5.590  -0.893
  131    HG1  THR  13          1HG       THR  13 -11.009   4.114  -2.607
  132   1HG2  THR  13          3HG2      THR  13 -12.663   7.268  -2.255
  133   2HG2  THR  13          1HG2      THR  13 -11.855   6.663  -3.714
  134   3HG2  THR  13          2HG2      THR  13 -12.941   5.602  -2.798
  135    QG2  THR  13           QG2      THR  13 -12.486   6.511  -2.923
  136    H    THR  14           HN       THR  14 -10.210   7.586   0.875
  137    HA   THR  14           HA       THR  14  -7.753   6.153   1.732
  138    HB   THR  14           HB       THR  14  -7.716   7.912   3.532
  139    HG1  THR  14          1HG       THR  14  -9.927   8.616   3.115
  140   1HG2  THR  14          2HG2      THR  14  -7.441   8.875   0.649
  141   2HG2  THR  14          3HG2      THR  14  -6.760   9.694   2.057
  142   3HG2  THR  14          1HG2      THR  14  -6.177   8.075   1.619
  143    QG2  THR  14           QG2      THR  14  -6.793   8.881   1.442
  144    H    LYS  15           HN       LYS  15  -7.880   5.111   3.742
  145    HA   LYS  15           HA       LYS  15 -10.436   4.991   5.201
  146   1HB   LYS  15          2HB       LYS  15  -9.320   2.720   3.578
  147   2HB   LYS  15          3HB       LYS  15  -9.709   2.332   5.233
  148   1HG   LYS  15          2HG       LYS  15 -11.520   1.719   3.904
  149   2HG   LYS  15          3HG       LYS  15 -12.032   3.035   4.970
  150   1HD   LYS  15          2HD       LYS  15 -12.383   4.510   3.191
  151   2HD   LYS  15          3HD       LYS  15 -11.062   3.818   2.265
  152   1HE   LYS  15          2HE       LYS  15 -13.070   3.353   1.071
  153   2HE   LYS  15          3HE       LYS  15 -12.377   1.844   1.663
  154   1HZ   LYS  15          2HZ       LYS  15 -13.988   1.901   3.464
  155   2HZ   LYS  15          3HZ       LYS  15 -14.636   3.300   2.880
  156   3HZ   LYS  15          1HZ       LYS  15 -14.732   1.915   1.999
  157    QB   LYS  15           QB       LYS  15  -9.514   2.526   4.405
  158    QG   LYS  15           QG       LYS  15 -11.776   2.377   4.437
  159    QD   LYS  15           QD       LYS  15 -11.723   4.164   2.728
  160    QE   LYS  15           QE       LYS  15 -12.723   2.598   1.367
  161    QZ   LYS  15           QZ       LYS  15 -14.452   2.372   2.781
  162    H    SER  16           HN       SER  16 -10.000   3.602   7.201
  163    HA   SER  16           HA       SER  16  -7.584   4.521   8.507
  164   1HB   SER  16          2HB       SER  16  -9.748   4.271   9.694
  165   2HB   SER  16          3HB       SER  16  -9.660   2.509   9.472
  166    HG   SER  16           HG       SER  16  -7.958   2.445  10.860
  167    QB   SER  16           QB       SER  16  -9.704   3.390   9.583
  168    H    CYS  17           HN       CYS  17  -6.099   3.052   9.524
  169    HA   CYS  17           HA       CYS  17  -5.664   0.339   8.427
  170   1HB   CYS  17          2HB       CYS  17  -4.426   1.672   6.868
  171   2HB   CYS  17          3HB       CYS  17  -3.845   2.725   8.155
  172    QB   CYS  17           QB       CYS  17  -4.136   2.199   7.512
  173    H    GLU  20           HN       GLU  20  -4.894  -0.935  10.079
  174    HA   GLU  20           HA       GLU  20  -4.657   0.209  12.718
  175   1HB   GLU  20          2HB       GLU  20  -4.270  -2.175  13.369
  176   2HB   GLU  20          3HB       GLU  20  -5.816  -1.790  12.600
  177   1HG   GLU  20          2HG       GLU  20  -3.597  -2.993  10.938
  178   2HG   GLU  20          3HG       GLU  20  -4.652  -3.985  11.928
  179    QB   GLU  20           QB       GLU  20  -5.043  -1.982  12.985
  180    QG   GLU  20           QG       GLU  20  -4.125  -3.489  11.433
  181    H    GLU  21           HN       GLU  21  -2.374  -1.374  10.424
  182    HA   GLU  21           HA       GLU  21  -0.079  -1.119  12.118
  183   1HB   GLU  21          2HB       GLU  21  -0.375  -1.265   9.099
  184   2HB   GLU  21          3HB       GLU  21   1.194  -1.254   9.938
  185   1HG   GLU  21          2HG       GLU  21   0.439  -3.260  11.234
  186   2HG   GLU  21          3HG       GLU  21  -0.930  -3.402  10.098
  187    QB   GLU  21           QB       GLU  21   0.410  -1.259   9.519
  188    QG   GLU  21           QG       GLU  21  -0.246  -3.331  10.666
  189    H    ASN  22           HN       ASN  22   1.764   0.279  11.684
  190    HA   ASN  22           HA       ASN  22   0.878   3.086  11.455
  191   1HB   ASN  22          2HB       ASN  22   2.274   2.273  13.374
  192   2HB   ASN  22          3HB       ASN  22   3.612   2.023  12.239
  193   1HD2  ASN  22          2HD2      ASN  22   4.565   5.402  12.798
  194   2HD2  ASN  22          1HD2      ASN  22   5.063   3.730  12.623
  195    QB   ASN  22           QB       ASN  22   2.943   2.148  12.807
  196    QD2  ASN  22           QD2      ASN  22   4.814   4.566  12.710
  197    H    SER  23           HN       SER  23   2.050   0.764   9.265
  198    HA   SER  23           HA       SER  23   3.313   2.807   7.511
  199   1HB   SER  23          2HB       SER  23   3.976   0.624   6.271
  200   2HB   SER  23          3HB       SER  23   4.864   1.106   7.715
  201    HG   SER  23           HG       SER  23   3.895  -0.499   8.857
  202    QB   SER  23           QB       SER  23   4.420   0.865   6.993
  203    H    CYS  24           HN       CYS  24   2.910   2.394   5.231
  204    HA   CYS  24           HA       CYS  24   0.314   1.188   4.550
  205   1HB   CYS  24          2HB       CYS  24   1.215   3.826   3.367
  206   2HB   CYS  24          3HB       CYS  24  -0.266   2.934   3.017
  207    QB   CYS  24           QB       CYS  24   0.475   3.380   3.192
  208    OH   TYR  25           OH       TYR  25  -2.198  -4.969   0.009
  209    H    TYR  25           HN       TYR  25   0.352   0.520   2.267
  210    HA   TYR  25           HA       TYR  25   3.012   0.485   1.017
  211   1HB   TYR  25          2HB       TYR  25   2.899  -1.773   0.408
  212   2HB   TYR  25          3HB       TYR  25   2.559  -1.712   2.120
  213    HD1  TYR  25           HD2      TYR  25   0.819  -1.848  -1.251
  214    HD2  TYR  25           HD1      TYR  25   0.830  -3.083   2.847
  215    HE1  TYR  25           HE2      TYR  25  -1.203  -3.163  -1.668
  216    HE2  TYR  25           HE1      TYR  25  -1.049  -4.652   2.368
  217    HH   TYR  25           HH       TYR  25  -2.448  -4.988  -0.935
  218    QB   TYR  25           QB       TYR  25   2.729  -1.743   1.264
  219    QR   TYR  25           QR       TYR  25  -0.151  -3.187   0.574
  220    H    LYS  26           HN       LYS  26   3.041  -0.061  -1.184
  221    HA   LYS  26           HA       LYS  26   0.612   0.603  -2.737
  222   1HB   LYS  26          2HB       LYS  26   2.378   2.507  -2.488
  223   2HB   LYS  26          3HB       LYS  26   3.406   1.533  -3.538
  224   1HG   LYS  26          2HG       LYS  26   0.593   2.434  -4.132
  225   2HG   LYS  26          3HG       LYS  26   2.041   3.346  -4.632
  226   1HD   LYS  26          2HD       LYS  26   2.447   0.695  -5.474
  227   2HD   LYS  26          3HD       LYS  26   0.790   0.981  -5.927
  228   1HE   LYS  26          2HE       LYS  26   3.165   2.799  -6.640
  229   2HE   LYS  26          3HE       LYS  26   2.712   1.415  -7.633
  230   1HZ   LYS  26          2HZ       LYS  26   0.608   2.441  -8.026
  231   2HZ   LYS  26          3HZ       LYS  26   1.032   3.770  -7.152
  232   3HZ   LYS  26          1HZ       LYS  26   1.849   3.390  -8.521
  233    QB   LYS  26           QB       LYS  26   2.892   2.020  -3.013
  234    QG   LYS  26           QG       LYS  26   1.317   2.890  -4.382
  235    QD   LYS  26           QD       LYS  26   1.618   0.838  -5.701
  236    QE   LYS  26           QE       LYS  26   2.938   2.107  -7.137
  237    QZ   LYS  26           QZ       LYS  26   1.163   3.201  -7.900
  238    H    LYS  27           HN       LYS  27   0.218  -1.027  -4.159
  239    HA   LYS  27           HA       LYS  27   2.309  -3.098  -4.733
  240   1HB   LYS  27          2HB       LYS  27  -0.611  -3.130  -4.059
  241   2HB   LYS  27          3HB       LYS  27  -0.134  -4.213  -5.352
  242   1HG   LYS  27          2HG       LYS  27   1.443  -4.384  -2.796
  243   2HG   LYS  27          3HG       LYS  27  -0.240  -4.888  -2.780
  244   1HD   LYS  27          2HD       LYS  27   0.964  -6.814  -3.151
  245   2HD   LYS  27          3HD       LYS  27   0.055  -6.469  -4.605
  246   1HE   LYS  27          2HE       LYS  27   2.964  -5.575  -4.287
  247   2HE   LYS  27          3HE       LYS  27   2.585  -7.232  -4.763
  248   1HZ   LYS  27          1HZ       LYS  27   1.517  -4.950  -6.233
  249   2HZ   LYS  27          2HZ       LYS  27   2.995  -5.576  -6.572
  250   3HZ   LYS  27          3HZ       LYS  27   1.624  -6.505  -6.733
  251    QB   LYS  27           QB       LYS  27  -0.372  -3.671  -4.706
  252    QG   LYS  27           QG       LYS  27   0.601  -4.636  -2.788
  253    QD   LYS  27           QD       LYS  27   0.509  -6.642  -3.878
  254    QE   LYS  27           QE       LYS  27   2.774  -6.403  -4.525
  255    QZ   LYS  27           QZ       LYS  27   2.045  -5.677  -6.513
  256    OH   TYR  28           OH       TYR  28   7.782  -1.503  -7.065
  257    H    TYR  28           HN       TYR  28   2.718  -3.421  -7.034
  258    HA   TYR  28           HA       TYR  28   0.607  -2.543  -8.864
  259   1HB   TYR  28          2HB       TYR  28   2.468  -1.526 -10.242
  260   2HB   TYR  28          3HB       TYR  28   1.967  -0.621  -8.833
  261    HD1  TYR  28           HD2      TYR  28   3.345  -0.753  -6.698
  262    HD2  TYR  28           HD1      TYR  28   4.840  -2.135 -10.483
  263    HE1  TYR  28           HE2      TYR  28   5.630  -0.577  -5.827
  264    HE2  TYR  28           HE1      TYR  28   7.152  -2.045  -9.575
  265    HH   TYR  28           HH       TYR  28   7.797  -1.377  -6.106
  266    QB   TYR  28           QB       TYR  28   2.217  -1.073  -9.538
  267    QR   TYR  28           QR       TYR  28   5.242  -1.378  -8.146
  268    CH2  TRP  29           CH2      TRP  29  -3.197  -6.025  -7.952
  269    H    TRP  29           HN       TRP  29   0.715  -3.598 -10.943
  270    HA   TRP  29           HA       TRP  29   2.895  -5.364 -11.593
  271   1HB   TRP  29          2HB       TRP  29   1.496  -7.326 -11.909
  272   2HB   TRP  29          3HB       TRP  29   1.647  -6.925 -10.208
  273    HD1  TRP  29           HD1      TRP  29  -0.883  -7.330 -12.998
  274    HE1  TRP  29           HE1      TRP  29  -3.246  -7.256 -12.063
  275    HE3  TRP  29           HE3      TRP  29   0.193  -5.771  -8.259
  276    HZ2  TRP  29           HZ2      TRP  29  -4.539  -6.628  -9.535
  277    HZ3  TRP  29           HZ3      TRP  29  -1.617  -5.486  -6.594
  278    HH2  TRP  29           HH2      TRP  29  -3.978  -5.915  -7.213
  279    QB   TRP  29           QB       TRP  29   1.571  -7.126 -11.059
  280    NH1  ARG  30           NH2      ARG  30   7.342  -4.911 -15.311
  281    NH2  ARG  30           NH1      ARG  30   8.254  -6.847 -16.207
  282    H    ARG  30           HN       ARG  30   2.648  -6.102 -13.869
  283    HA   ARG  30           HA       ARG  30   1.545  -4.042 -15.525
  284   1HB   ARG  30          2HB       ARG  30   2.630  -6.738 -16.385
  285   2HB   ARG  30          3HB       ARG  30   2.479  -5.246 -17.287
  286   1HG   ARG  30          2HG       ARG  30   4.691  -5.126 -16.832
  287   2HG   ARG  30          3HG       ARG  30   4.064  -4.222 -15.453
  288   1HD   ARG  30          2HD       ARG  30   5.054  -5.725 -14.013
  289   2HD   ARG  30          3HD       ARG  30   4.155  -7.049 -14.736
  290    HE   ARG  30           HE       ARG  30   5.931  -7.756 -15.879
  291   1HH1  ARG  30          2HH2      ARG  30   6.530  -4.420 -14.969
  292   2HH1  ARG  30          1HH2      ARG  30   8.219  -4.417 -15.383
  293   1HH2  ARG  30          2HH1      ARG  30   8.159  -7.809 -16.502
  294   2HH2  ARG  30          1HH1      ARG  30   9.154  -6.404 -16.316
  295    QB   ARG  30           QB       ARG  30   2.554  -5.992 -16.836
  296    QG   ARG  30           QG       ARG  30   4.377  -4.674 -16.142
  297    QD   ARG  30           QD       ARG  30   4.605  -6.387 -14.375
  298    QH1  ARG  30           QH2      ARG  30   7.374  -4.419 -15.176
  299    QH2  ARG  30           QH1      ARG  30   8.656  -7.106 -16.409
  300    H    ASP  31           HN       ASP  31  -0.302  -4.222 -16.931
  301    HA   ASP  31           HA       ASP  31  -2.091  -6.562 -16.438
  302   1HB   ASP  31          2HB       ASP  31  -3.824  -5.315 -17.659
  303   2HB   ASP  31          3HB       ASP  31  -3.297  -4.603 -16.147
  304    QB   ASP  31           QB       ASP  31  -3.560  -4.959 -16.903
  305    H    HIS  32           HN       HIS  32  -1.517  -4.641 -19.302
  306    HA   HIS  32           HA       HIS  32  -0.519  -6.822 -20.998
  307   1HB   HIS  32          2HB       HIS  32  -3.281  -5.525 -21.300
  308   2HB   HIS  32          3HB       HIS  32  -2.470  -6.429 -22.577
  309    HD1  HIS  32           HD1      HIS  32  -4.267  -7.022 -19.252
  310    HD2  HIS  32           HD2      HIS  32  -2.302  -9.114 -22.342
  311    HE1  HIS  32           HE1      HIS  32  -4.790  -9.521 -18.900
  312    HE2  HIS  32           HE2      HIS  32  -3.590 -10.775 -20.794
  313    QB   HIS  32           QB       HIS  32  -2.875  -5.977 -21.938
  314    NH1  ARG  33           NH2      ARG  33  -4.258   1.926 -25.903
  315    NH2  ARG  33           NH1      ARG  33  -3.094   3.802 -25.191
  316    H    ARG  33           HN       ARG  33  -1.962  -3.534 -20.691
  317    HA   ARG  33           HA       ARG  33  -0.039  -2.463 -22.714
  318   1HB   ARG  33          2HB       ARG  33  -2.209  -2.268 -23.622
  319   2HB   ARG  33          3HB       ARG  33  -2.940  -1.815 -22.068
  320   1HG   ARG  33          2HG       ARG  33  -1.919   0.316 -22.058
  321   2HG   ARG  33          3HG       ARG  33  -0.822  -0.112 -23.395
  322   1HD   ARG  33          2HD       ARG  33  -2.711  -0.237 -24.946
  323   2HD   ARG  33          3HD       ARG  33  -3.860   0.091 -23.621
  324    HE   ARG  33           HE       ARG  33  -2.006   2.187 -23.602
  325   1HH1  ARG  33          2HH2      ARG  33  -4.448   0.939 -25.819
  326   2HH1  ARG  33          1HH2      ARG  33  -4.769   2.462 -26.589
  327   1HH2  ARG  33          2HH1      ARG  33  -2.411   4.234 -24.585
  328   2HH2  ARG  33          1HH1      ARG  33  -3.578   4.386 -25.858
  329    QB   ARG  33           QB       ARG  33  -2.575  -2.041 -22.845
  330    QG   ARG  33           QG       ARG  33  -1.370   0.102 -22.727
  331    QD   ARG  33           QD       ARG  33  -3.286  -0.073 -24.283
  332    QH1  ARG  33           QH2      ARG  33  -4.608   1.701 -26.204
  333    QH2  ARG  33           QH1      ARG  33  -2.994   4.310 -25.221
  334    H    GLY  34           HN       GLY  34  -1.796  -2.016 -19.608
  335   1HA   GLY  34          1HA       GLY  34   0.048   0.227 -18.842
  336   2HA   GLY  34          2HA       GLY  34  -1.619  -0.037 -18.300
  337    QA   GLY  34           QA       GLY  34  -0.786   0.095 -18.571
  338    H    THR  35           HN       THR  35  -0.600   0.110 -16.165
  339    HA   THR  35           HA       THR  35   0.012  -2.593 -15.216
  340    HB   THR  35           HB       THR  35   1.952  -0.871 -15.419
  341    HG1  THR  35          1HG       THR  35   1.334  -2.500 -13.242
  342   1HG2  THR  35          3HG2      THR  35   0.751   1.022 -14.251
  343   2HG2  THR  35          1HG2      THR  35   0.983   0.092 -12.741
  344   3HG2  THR  35          2HG2      THR  35   2.383   0.640 -13.666
  345    QG2  THR  35           QG2      THR  35   1.372   0.585 -13.553
  346    H    ILE  36           HN       ILE  36  -1.190  -3.199 -13.477
  347    HA   ILE  36           HA       ILE  36  -3.339  -1.379 -12.579
  348    HB   ILE  36           HB       ILE  36  -2.731  -4.291 -12.008
  349   1HG1  ILE  36          2HG1      ILE  36  -5.098  -2.835 -13.296
  350   2HG1  ILE  36          3HG1      ILE  36  -3.797  -3.635 -14.178
  351   1HG2  ILE  36          2HG2      ILE  36  -4.886  -2.513 -10.768
  352   2HG2  ILE  36          3HG2      ILE  36  -4.817  -4.276 -10.617
  353   3HG2  ILE  36          1HG2      ILE  36  -3.551  -3.304  -9.900
  354   1HD1  ILE  36          1HD1      ILE  36  -4.462  -5.813 -13.103
  355   2HD1  ILE  36          2HD1      ILE  36  -5.884  -4.980 -12.418
  356   3HD1  ILE  36          3HD1      ILE  36  -5.685  -5.096 -14.170
  357    QG1  ILE  36           QG1      ILE  36  -4.448  -3.235 -13.737
  358    QG2  ILE  36           QG2      ILE  36  -4.418  -3.364 -10.428
  359    QD1  ILE  36           QD1      ILE  36  -5.344  -5.296 -13.230
  360    H    ILE  37           HN       ILE  37  -3.361  -0.484 -10.603
  361    HA   ILE  37           HA       ILE  37  -0.968  -0.646  -8.851
  362    HB   ILE  37           HB       ILE  37  -2.819   1.686  -9.569
  363   1HG1  ILE  37          2HG1      ILE  37  -0.577   2.886  -9.772
  364   2HG1  ILE  37          3HG1      ILE  37   0.208   1.295  -9.679
  365   1HG2  ILE  37          3HG2      ILE  37  -0.937   1.396  -7.214
  366   2HG2  ILE  37          1HG2      ILE  37  -1.611   2.941  -7.795
  367   3HG2  ILE  37          2HG2      ILE  37  -2.680   1.700  -7.152
  368   1HD1  ILE  37          2HD1      ILE  37  -1.819   2.154 -11.785
  369   2HD1  ILE  37          3HD1      ILE  37  -0.052   2.194 -11.972
  370   3HD1  ILE  37          1HD1      ILE  37  -0.875   0.651 -11.754
  371    QG1  ILE  37           QG1      ILE  37  -0.184   2.091  -9.725
  372    QG2  ILE  37           QG2      ILE  37  -1.743   2.012  -7.387
  373    QD1  ILE  37           QD1      ILE  37  -0.915   1.666 -11.837
  374    H    GLU  38           HN       GLU  38  -1.497  -1.198  -6.794
  375    HA   GLU  38           HA       GLU  38  -4.312  -1.217  -5.845
  376   1HB   GLU  38          2HB       GLU  38  -3.775  -3.548  -6.293
  377   2HB   GLU  38          3HB       GLU  38  -2.175  -3.363  -5.606
  378   1HG   GLU  38          2HG       GLU  38  -3.477  -2.871  -3.338
  379   2HG   GLU  38          3HG       GLU  38  -4.810  -3.634  -4.177
  380    QB   GLU  38           QB       GLU  38  -2.975  -3.455  -5.950
  381    QG   GLU  38           QG       GLU  38  -4.143  -3.252  -3.758
  382    NH1  ARG  39           NH2      ARG  39  -0.804   3.898  -5.599
  383    NH2  ARG  39           NH1      ARG  39  -1.897   5.810  -6.276
  384    H    ARG  39           HN       ARG  39  -4.365  -0.677  -3.567
  385    HA   ARG  39           HA       ARG  39  -1.878   0.467  -2.395
  386   1HB   ARG  39          2HB       ARG  39  -4.695   1.655  -2.487
  387   2HB   ARG  39          3HB       ARG  39  -3.322   2.278  -1.566
  388   1HG   ARG  39          2HG       ARG  39  -2.712   1.963  -4.444
  389   2HG   ARG  39          3HG       ARG  39  -4.156   2.944  -4.136
  390   1HD   ARG  39          2HD       ARG  39  -2.930   4.197  -2.404
  391   2HD   ARG  39          3HD       ARG  39  -1.433   3.490  -2.944
  392    HE   ARG  39           HE       ARG  39  -2.832   5.651  -3.966
  393   1HH1  ARG  39          2HH2      ARG  39  -1.024   3.019  -5.152
  394   2HH1  ARG  39          1HH2      ARG  39   0.075   4.316  -5.325
  395   1HH2  ARG  39          2HH1      ARG  39  -2.065   6.672  -5.742
  396   2HH2  ARG  39          1HH1      ARG  39  -1.334   5.890  -7.105
  397    QB   ARG  39           QB       ARG  39  -4.008   1.967  -2.026
  398    QG   ARG  39           QG       ARG  39  -3.434   2.454  -4.290
  399    QD   ARG  39           QD       ARG  39  -2.181   3.843  -2.674
  400    QH1  ARG  39           QH2      ARG  39  -0.474   3.668  -5.239
  401    QH2  ARG  39           QH1      ARG  39  -1.699   6.281  -6.424
  402    H    GLY  40           HN       GLY  40  -1.697  -0.136  -0.197
  403   1HA   GLY  40          1HA       GLY  40  -4.031  -0.990   1.257
  404   2HA   GLY  40          2HA       GLY  40  -2.995  -2.354   0.832
  405    QA   GLY  40           QA       GLY  40  -3.513  -1.672   1.044
  406    H    CYS  41           HN       CYS  41  -2.950  -2.234   3.334
  407    HA   CYS  41           HA       CYS  41  -1.567   0.154   4.442
  408   1HB   CYS  41          2HB       CYS  41  -3.470   0.219   5.435
  409   2HB   CYS  41          3HB       CYS  41  -3.916  -1.477   5.142
  410    QB   CYS  41           QB       CYS  41  -3.693  -0.629   5.288
  411    H    GLY  42           HN       GLY  42  -0.318  -0.245   6.456
  412   1HA   GLY  42          1HA       GLY  42   1.272  -1.534   7.705
  413   2HA   GLY  42          2HA       GLY  42   0.550  -2.947   6.944
  414    QA   GLY  42           QA       GLY  42   0.911  -2.241   7.324
  415    H    CYS  43           HN       CYS  43   2.653  -3.889   6.695
  416    HA   CYS  43           HA       CYS  43   3.603  -3.310   3.970
  417   1HB   CYS  43          2HB       CYS  43   5.033  -1.834   5.369
  418   2HB   CYS  43          3HB       CYS  43   5.607  -3.267   6.233
  419    QB   CYS  43           QB       CYS  43   5.320  -2.551   5.801
  420    HA   PRO  44           HA       PRO  44   3.782  -7.831   4.960
  421   1HB   PRO  44          2HB       PRO  44   2.003  -8.798   3.168
  422   2HB   PRO  44          3HB       PRO  44   1.449  -7.941   4.637
  423   1HG   PRO  44          2HG       PRO  44   1.787  -6.797   1.849
  424   2HG   PRO  44          3HG       PRO  44   0.364  -6.663   2.923
  425   1HD   PRO  44          2HD       PRO  44   2.370  -4.759   2.723
  426   2HD   PRO  44          3HD       PRO  44   1.413  -5.004   4.226
  427    QB   PRO  44           QB       PRO  44   1.726  -8.370   3.902
  428    QG   PRO  44           QG       PRO  44   1.075  -6.730   2.386
  429    QD   PRO  44           QD       PRO  44   1.892  -4.881   3.475
  430    H    LYS  45           HN       LYS  45   4.377  -9.654   3.395
  431    HA   LYS  45           HA       LYS  45   6.217  -8.676   1.281
  432   1HB   LYS  45          2HB       LYS  45   7.147 -10.220   2.838
  433   2HB   LYS  45          3HB       LYS  45   5.833 -11.393   2.565
  434   1HG   LYS  45          2HG       LYS  45   6.628 -11.851   0.336
  435   2HG   LYS  45          3HG       LYS  45   7.811 -10.508   0.442
  436   1HD   LYS  45          2HD       LYS  45   9.059 -11.709   2.166
  437   2HD   LYS  45          3HD       LYS  45   7.794 -12.931   2.299
  438   1HE   LYS  45          2HE       LYS  45   9.764 -13.731   1.002
  439   2HE   LYS  45          3HE       LYS  45   8.244 -13.819   0.102
  440   1HZ   LYS  45          1HZ       LYS  45  10.195 -11.636  -0.194
  441   2HZ   LYS  45          2HZ       LYS  45  10.092 -12.937  -1.190
  442   3HZ   LYS  45          3HZ       LYS  45   8.835 -11.884  -1.102
  443    QB   LYS  45           QB       LYS  45   6.490 -10.807   2.702
  444    QG   LYS  45           QG       LYS  45   7.220 -11.180   0.389
  445    QD   LYS  45           QD       LYS  45   8.426 -12.320   2.232
  446    QE   LYS  45           QE       LYS  45   9.004 -13.775   0.552
  447    QZ   LYS  45           QZ       LYS  45   9.707 -12.152  -0.829
  448    H    VAL  46           HN       VAL  46   6.192  -9.712  -0.730
  449    HA   VAL  46           HA       VAL  46   3.601 -10.824  -1.693
  450    HB   VAL  46           HB       VAL  46   3.710  -9.363  -3.665
  451   1HG1  VAL  46          2HG1      VAL  46   3.689  -7.895  -0.987
  452   2HG1  VAL  46          3HG1      VAL  46   3.144  -7.213  -2.501
  453   3HG1  VAL  46          1HG1      VAL  46   2.321  -8.634  -1.827
  454   1HG2  VAL  46          2HG2      VAL  46   6.188  -8.960  -3.685
  455   2HG2  VAL  46          3HG2      VAL  46   5.219  -7.495  -3.837
  456   3HG2  VAL  46          1HG2      VAL  46   5.991  -7.885  -2.282
  457    QG1  VAL  46           QG1      VAL  46   3.052  -7.914  -1.772
  458    QG2  VAL  46           QG2      VAL  46   5.800  -8.113  -3.268
  459    QQG  VAL  46           QQG      VAL  46   4.426  -8.014  -2.520
  460    H    LYS  47           HN       LYS  47   3.893 -11.510  -4.048
  461    HA   LYS  47           HA       LYS  47   5.970 -13.529  -4.154
  462   1HB   LYS  47          2HB       LYS  47   3.493 -12.803  -5.639
  463   2HB   LYS  47          3HB       LYS  47   4.651 -13.567  -6.623
  464   1HG   LYS  47          2HG       LYS  47   4.794 -15.476  -4.993
  465   2HG   LYS  47          3HG       LYS  47   3.563 -14.680  -3.988
  466   1HD   LYS  47          2HD       LYS  47   1.937 -14.797  -5.825
  467   2HD   LYS  47          3HD       LYS  47   3.176 -15.440  -6.922
  468   1HE   LYS  47          2HE       LYS  47   3.414 -17.448  -5.384
  469   2HE   LYS  47          3HE       LYS  47   2.054 -16.828  -4.429
  470   1HZ   LYS  47          2HZ       LYS  47   0.687 -17.027  -6.414
  471   2HZ   LYS  47          3HZ       LYS  47   1.961 -17.629  -7.267
  472   3HZ   LYS  47          1HZ       LYS  47   1.352 -18.469  -5.995
  473    QB   LYS  47           QB       LYS  47   4.072 -13.185  -6.131
  474    QG   LYS  47           QG       LYS  47   4.178 -15.078  -4.491
  475    QD   LYS  47           QD       LYS  47   2.556 -15.118  -6.373
  476    QE   LYS  47           QE       LYS  47   2.734 -17.138  -4.907
  477    QZ   LYS  47           QZ       LYS  47   1.333 -17.709  -6.559
  478    HA   PRO  48           HA       PRO  48   8.838 -11.409  -6.691
  479   1HB   PRO  48          2HB       PRO  48   9.889 -13.306  -8.337
  480   2HB   PRO  48          3HB       PRO  48  10.032 -13.405  -6.559
  481   1HG   PRO  48          2HG       PRO  48   8.081 -14.849  -8.350
  482   2HG   PRO  48          3HG       PRO  48   9.006 -15.503  -6.969
  483   1HD   PRO  48          2HD       PRO  48   6.374 -14.621  -6.891
  484   2HD   PRO  48          3HD       PRO  48   7.390 -14.680  -5.443
  485    QB   PRO  48           QB       PRO  48   9.960 -13.355  -7.448
  486    QG   PRO  48           QG       PRO  48   8.543 -15.176  -7.659
  487    QD   PRO  48           QD       PRO  48   6.882 -14.650  -6.167
  488    H    GLY  49           HN       GLY  49   9.408 -10.668  -8.920
  489   1HA   GLY  49          1HA       GLY  49   8.863  -9.744 -10.924
  490   2HA   GLY  49          2HA       GLY  49   7.812 -11.138 -11.182
  491    QA   GLY  49           QA       GLY  49   8.337 -10.441 -11.053
  492    H    VAL  50           HN       VAL  50   7.014  -9.369  -8.351
  493    HA   VAL  50           HA       VAL  50   4.876  -7.752  -9.655
  494    HB   VAL  50           HB       VAL  50   4.645  -9.897  -7.496
  495   1HG1  VAL  50          3HG1      VAL  50   2.684  -7.708  -8.267
  496   2HG1  VAL  50          1HG1      VAL  50   2.237  -9.167  -7.351
  497   3HG1  VAL  50          2HG1      VAL  50   3.407  -8.038  -6.671
  498   1HG2  VAL  50          1HG2      VAL  50   3.229  -9.469 -10.169
  499   2HG2  VAL  50          2HG2      VAL  50   4.433 -10.728  -9.813
  500   3HG2  VAL  50          3HG2      VAL  50   2.863 -10.759  -9.001
  501    QG1  VAL  50           QG1      VAL  50   2.776  -8.304  -7.429
  502    QG2  VAL  50           QG2      VAL  50   3.508 -10.319  -9.661
  503    QQG  VAL  50           QQG      VAL  50   3.142  -9.312  -8.545
  504    H    GLY  51           HN       GLY  51   5.683  -5.736  -9.131
  505   1HA   GLY  51          1HA       GLY  51   7.435  -5.428  -6.942
  506   2HA   GLY  51          2HA       GLY  51   6.859  -4.128  -7.958
  507    QA   GLY  51           QA       GLY  51   7.147  -4.778  -7.450
  508    H    ILE  52           HN       ILE  52   7.315  -3.680  -5.415
  509    HA   ILE  52           HA       ILE  52   4.731  -3.072  -4.169
  510    HB   ILE  52           HB       ILE  52   5.583  -5.301  -3.251
  511   1HG1  ILE  52          2HG1      ILE  52   5.381  -3.040  -1.213
  512   2HG1  ILE  52          3HG1      ILE  52   4.029  -3.873  -1.996
  513   1HG2  ILE  52          2HG2      ILE  52   8.031  -4.662  -3.365
  514   2HG2  ILE  52          3HG2      ILE  52   7.768  -3.655  -1.925
  515   3HG2  ILE  52          1HG2      ILE  52   7.512  -5.408  -1.854
  516   1HD1  ILE  52          1HD1      ILE  52   4.955  -6.023  -0.991
  517   2HD1  ILE  52          2HD1      ILE  52   6.076  -5.013  -0.056
  518   3HD1  ILE  52          3HD1      ILE  52   4.330  -4.832   0.165
  519    QG1  ILE  52           QG1      ILE  52   4.705  -3.456  -1.605
  520    QG2  ILE  52           QG2      ILE  52   7.770  -4.575  -2.381
  521    QD1  ILE  52           QD1      ILE  52   5.121  -5.289  -0.294
  522    H    HIS  53           HN       HIS  53   5.040  -1.354  -2.497
  523    HA   HIS  53           HA       HIS  53   7.721  -0.402  -1.871
  524   1HB   HIS  53          2HB       HIS  53   7.272   1.085  -3.690
  525   2HB   HIS  53          3HB       HIS  53   5.586   1.265  -3.240
  526    HD1  HIS  53           HD1      HIS  53   9.034   2.548  -2.034
  527    HD2  HIS  53           HD2      HIS  53   4.878   3.088  -1.472
  528    HE1  HIS  53           HE1      HIS  53   8.750   4.640  -0.566
  529    HE2  HIS  53           HE2      HIS  53   6.225   4.973  -0.261
  530    QB   HIS  53           QB       HIS  53   6.429   1.175  -3.465
  531    H    CYS  54           HN       CYS  54   7.624   0.671   0.269
  532    HA   CYS  54           HA       CYS  54   4.990   0.691   1.623
  533   1HB   CYS  54          2HB       CYS  54   7.562  -0.471   2.724
  534   2HB   CYS  54          3HB       CYS  54   6.125  -0.085   3.672
  535    QB   CYS  54           QB       CYS  54   6.844  -0.278   3.198
  536    H    CYS  55           HN       CYS  55   4.909   2.258   3.435
  537    HA   CYS  55           HA       CYS  55   7.142   4.027   3.863
  538   1HB   CYS  55          2HB       CYS  55   5.872   6.055   3.189
  539   2HB   CYS  55          3HB       CYS  55   6.415   5.051   1.859
  540    QB   CYS  55           QB       CYS  55   6.144   5.553   2.524
  541    H    GLN  56           HN       GLN  56   6.361   5.817   5.384
  542    HA   GLN  56           HA       GLN  56   4.639   4.531   7.464
  543   1HB   GLN  56          2HB       GLN  56   6.442   4.879   9.074
  544   2HB   GLN  56          3HB       GLN  56   6.910   3.782   7.772
  545   1HG   GLN  56          2HG       GLN  56   8.218   5.541   6.674
  546   2HG   GLN  56          3HG       GLN  56   7.677   6.733   7.871
  547   1HE2  GLN  56          2HE2      GLN  56  10.937   5.912   9.163
  548   2HE2  GLN  56          1HE2      GLN  56  10.151   6.955   7.992
  549    QB   GLN  56           QB       GLN  56   6.676   4.330   8.423
  550    QG   GLN  56           QG       GLN  56   7.948   6.137   7.273
  551    QE2  GLN  56           QE2      GLN  56  10.544   6.433   8.578
  552    H    SER  57           HN       SER  57   3.596   6.637   6.029
  553    HA   SER  57           HA       SER  57   3.209   8.461   8.282
  554   1HB   SER  57          2HB       SER  57   3.948   9.677   5.599
  555   2HB   SER  57          3HB       SER  57   3.625  10.499   7.132
  556    HG   SER  57           HG       SER  57   5.481   8.960   7.842
  557    QB   SER  57           QB       SER  57   3.786  10.088   6.366
  558    H    ASP  58           HN       ASP  58   1.269   9.733   8.110
  559    HA   ASP  58           HA       ASP  58  -0.867   8.133   7.278
  560   1HB   ASP  58          2HB       ASP  58  -0.983  11.117   7.835
  561   2HB   ASP  58          3HB       ASP  58  -2.237   9.901   8.154
  562    QB   ASP  58           QB       ASP  58  -1.610  10.509   7.994
  563    H    LYS  59           HN       LYS  59  -1.831   7.839   5.395
  564    HA   LYS  59           HA       LYS  59  -2.332   8.027   3.185
  565   1HB   LYS  59          2HB       LYS  59  -2.096  11.020   3.686
  566   2HB   LYS  59          3HB       LYS  59  -2.939  10.261   2.360
  567   1HG   LYS  59          2HG       LYS  59  -4.403   9.068   3.975
  568   2HG   LYS  59          3HG       LYS  59  -3.756  10.077   5.277
  569   1HD   LYS  59          2HD       LYS  59  -5.077  11.156   2.722
  570   2HD   LYS  59          3HD       LYS  59  -5.953  10.797   4.207
  571   1HE   LYS  59          2HE       LYS  59  -5.593  13.129   4.167
  572   2HE   LYS  59          3HE       LYS  59  -4.574  12.467   5.453
  573   1HZ   LYS  59          1HZ       LYS  59  -3.548  13.027   2.748
  574   2HZ   LYS  59          2HZ       LYS  59  -3.569  14.166   3.935
  575   3HZ   LYS  59          3HZ       LYS  59  -2.685  12.799   4.132
  576    QB   LYS  59           QB       LYS  59  -2.518  10.641   3.023
  577    QG   LYS  59           QG       LYS  59  -4.080   9.572   4.626
  578    QD   LYS  59           QD       LYS  59  -5.515  10.977   3.465
  579    QE   LYS  59           QE       LYS  59  -5.084  12.798   4.810
  580    QZ   LYS  59           QZ       LYS  59  -3.267  13.331   3.605
  581    H    CYS  60           HN       CYS  60   0.621   7.890   3.992
  582    HA   CYS  60           HA       CYS  60   2.082   9.442   2.109
  583   1HB   CYS  60          2HB       CYS  60   3.946   7.993   2.581
  584   2HB   CYS  60          3HB       CYS  60   3.062   8.363   4.049
  585    QB   CYS  60           QB       CYS  60   3.504   8.178   3.315
  586    H    ASN  61           HN       ASN  61   0.454   6.308   1.749
  587    HA   ASN  61           HA       ASN  61   1.793   5.682  -0.749
  588   1HB   ASN  61          2HB       ASN  61   0.554   3.646  -0.693
  589   2HB   ASN  61          3HB       ASN  61   1.190   3.948   0.924
  590   1HD2  ASN  61          2HD2      ASN  61  -2.554   2.885   0.809
  591   2HD2  ASN  61          1HD2      ASN  61  -1.055   2.207   0.173
  592    QB   ASN  61           QB       ASN  61   0.872   3.797   0.116
  593    QD2  ASN  61           QD2      ASN  61  -1.804   2.546   0.491
  594    OH   TYR  62           OH       TYR  62  -4.342  13.782  -2.655
  595    H    TYR  62           HN       TYR  62   0.768   8.093  -1.380
  596    HA   TYR  62           HA       TYR  62  -1.958   8.314  -2.029
  597   1HB   TYR  62          2HB       TYR  62   0.384   9.889  -2.282
  598   2HB   TYR  62          3HB       TYR  62  -0.127   9.503  -3.927
  599    HD1  TYR  62           HD1      TYR  62  -2.653   9.988  -4.519
  600    HD2  TYR  62           HD2      TYR  62  -0.535  11.774  -1.211
  601    HE1  TYR  62           HE1      TYR  62  -4.335  11.803  -4.418
  602    HE2  TYR  62           HE2      TYR  62  -2.212  13.589  -1.125
  603    HH   TYR  62           HH       TYR  62  -4.941  13.811  -3.403
  604    QB   TYR  62           QB       TYR  62   0.129   9.696  -3.104
  605    QR   TYR  62           QR       TYR  62  -2.434  11.789  -2.818
   
  Start of MODEL           3
 Raw file had 605 H/Q atoms
  Start of MODEL    3
    1    NH1  ARG   1           NH2      ARG   1   1.700   7.841  10.274
    2    NH2  ARG   1           NH1      ARG   1   3.106   5.988  10.064
    3    H    ARG   1           HN       ARG   1  -3.351   4.991  13.018
    4    HA   ARG   1           HA       ARG   1  -2.708   6.530  11.228
    5   1HB   ARG   1          2HB       ARG   1  -1.479   4.342  11.456
    6   2HB   ARG   1          3HB       ARG   1  -2.677   3.570  10.422
    7   1HG   ARG   1          2HG       ARG   1  -0.692   3.978   9.175
    8   2HG   ARG   1          3HG       ARG   1  -1.972   4.963   8.501
    9   1HD   ARG   1          2HD       ARG   1  -0.797   6.849   8.879
   10   2HD   ARG   1          3HD       ARG   1  -0.627   6.492  10.607
   11    HE   ARG   1           HE       ARG   1   1.186   4.887   9.095
   12   1HH1  ARG   1          2HH2      ARG   1   0.785   8.278  10.082
   13   2HH1  ARG   1          1HH2      ARG   1   2.405   8.388  10.740
   14   1HH2  ARG   1          2HH1      ARG   1   3.146   4.998   9.822
   15   2HH2  ARG   1          1HH1      ARG   1   3.988   6.497  10.092
   16    QB   ARG   1           QB       ARG   1  -2.078   3.956  10.939
   17    QG   ARG   1           QG       ARG   1  -1.332   4.470   8.838
   18    QD   ARG   1           QD       ARG   1  -0.712   6.670   9.743
   19    QH1  ARG   1           QH2      ARG   1   1.595   8.333  10.411
   20    QH2  ARG   1           QH1      ARG   1   3.567   5.747   9.957
   21    H    ILE   2           HN       ILE   2  -3.042   7.184   8.929
   22    HA   ILE   2           HA       ILE   2  -5.560   6.122   7.741
   23    HB   ILE   2           HB       ILE   2  -4.653   9.017   7.739
   24   1HG1  ILE   2          2HG1      ILE   2  -6.690   7.508   9.436
   25   2HG1  ILE   2          3HG1      ILE   2  -5.371   8.565   9.971
   26   1HG2  ILE   2          2HG2      ILE   2  -5.953   8.250   5.719
   27   2HG2  ILE   2          3HG2      ILE   2  -7.270   7.760   6.806
   28   3HG2  ILE   2          1HG2      ILE   2  -6.802   9.463   6.657
   29   1HD1  ILE   2          3HD1      ILE   2  -6.609  10.486   8.862
   30   2HD1  ILE   2          1HD1      ILE   2  -7.984   9.363   8.659
   31   3HD1  ILE   2          2HD1      ILE   2  -7.400   9.760  10.281
   32    QG1  ILE   2           QG1      ILE   2  -6.030   8.037   9.704
   33    QG2  ILE   2           QG2      ILE   2  -6.675   8.491   6.394
   34    QD1  ILE   2           QD1      ILE   2  -7.331   9.869   9.267
   35    H    CYS   3           HN       CYS   3  -5.453   5.706   5.626
   36    HA   CYS   3           HA       CYS   3  -3.012   6.480   4.091
   37   1HB   CYS   3          2HB       CYS   3  -4.322   3.784   3.808
   38   2HB   CYS   3          3HB       CYS   3  -2.726   4.282   3.240
   39    QB   CYS   3           QB       CYS   3  -3.524   4.033   3.524
   40    OH   TYR   4           OH       TYR   4  -3.276  11.360  -0.197
   41    H    TYR   4           HN       TYR   4  -3.758   5.374   1.738
   42    HA   TYR   4           HA       TYR   4  -6.624   6.016   1.255
   43   1HB   TYR   4          2HB       TYR   4  -4.531   5.400  -0.838
   44   2HB   TYR   4          3HB       TYR   4  -6.177   6.014  -1.017
   45    HD1  TYR   4           HD2      TYR   4  -6.707   8.375  -0.394
   46    HD2  TYR   4           HD1      TYR   4  -2.671   6.859  -0.226
   47    HE1  TYR   4           HE2      TYR   4  -5.839  10.692  -0.296
   48    HE2  TYR   4           HE1      TYR   4  -1.809   9.182  -0.197
   49    HH   TYR   4           HH       TYR   4  -3.958  12.035  -0.172
   50    QB   TYR   4           QB       TYR   4  -5.354   5.707  -0.928
   51    QR   TYR   4           QR       TYR   4  -4.256   8.777  -0.278
   52    H    ASN   5           HN       ASN   5  -7.802   4.355   0.123
   53    HA   ASN   5           HA       ASN   5  -6.618   1.576   0.208
   54   1HB   ASN   5          2HB       ASN   5  -8.875   0.728   0.174
   55   2HB   ASN   5          3HB       ASN   5  -8.689   1.809   1.560
   56   1HD2  ASN   5          2HD2      ASN   5 -10.970   4.253   0.305
   57   2HD2  ASN   5          1HD2      ASN   5  -9.693   3.940   1.476
   58    QB   ASN   5           QB       ASN   5  -8.782   1.268   0.867
   59    QD2  ASN   5           QD2      ASN   5 -10.331   4.097   0.891
   60    H    HIS   6           HN       HIS   6  -6.952   4.181  -1.784
   61    HA   HIS   6           HA       HIS   6  -8.571   3.214  -3.877
   62   1HB   HIS   6          2HB       HIS   6  -7.748   5.098  -5.168
   63   2HB   HIS   6          3HB       HIS   6  -8.204   5.538  -3.526
   64    HD1  HIS   6           HD1      HIS   6  -6.478   7.441  -2.836
   65    HD2  HIS   6           HD2      HIS   6  -4.737   4.347  -5.109
   66    HE1  HIS   6           HE1      HIS   6  -3.998   7.995  -3.068
   67    HE2  HIS   6           HE2      HIS   6  -2.935   6.094  -4.435
   68    QB   HIS   6           QB       HIS   6  -7.976   5.318  -4.347
   69    H    GLN   7           HN       GLN   7  -7.834   2.858  -6.185
   70    HA   GLN   7           HA       GLN   7  -5.500   1.022  -6.320
   71   1HB   GLN   7          2HB       GLN   7  -8.361   0.378  -5.729
   72   2HB   GLN   7          3HB       GLN   7  -7.698  -0.581  -7.045
   73   1HG   GLN   7          2HG       GLN   7  -5.975  -1.451  -5.706
   74   2HG   GLN   7          3HG       GLN   7  -6.216  -0.272  -4.409
   75   1HE2  GLN   7          2HE2      GLN   7  -8.955  -1.977  -2.929
   76   2HE2  GLN   7          1HE2      GLN   7  -8.115  -0.432  -3.033
   77    QB   GLN   7           QB       GLN   7  -8.030  -0.102  -6.387
   78    QG   GLN   7           QG       GLN   7  -6.096  -0.862  -5.058
   79    QE2  GLN   7           QE2      GLN   7  -8.535  -1.204  -2.981
   80    H    SER   8           HN       SER   8  -5.981  -0.322  -8.520
   81    HA   SER   8           HA       SER   8  -6.349   1.434 -10.745
   82   1HB   SER   8          2HB       SER   8  -6.380  -1.537 -10.381
   83   2HB   SER   8          3HB       SER   8  -6.948  -0.844 -11.910
   84    HG   SER   8           HG       SER   8  -5.036   0.122 -12.273
   85    QB   SER   8           QB       SER   8  -6.664  -1.191 -11.145
   86    H    THR   9           HN       THR   9  -8.349   2.461  -9.560
   87    HA   THR   9           HA       THR   9 -10.825   1.597 -10.773
   88    HB   THR   9           HB       THR   9 -10.674  -0.055  -8.934
   89    HG1  THR   9          1HG       THR   9 -12.700   0.626  -9.620
   90   1HG2  THR   9          3HG2      THR   9  -9.507   1.714  -7.342
   91   2HG2  THR   9          1HG2      THR   9 -11.174   2.103  -6.893
   92   3HG2  THR   9          2HG2      THR   9 -10.577   0.453  -6.686
   93    QG2  THR   9           QG2      THR   9 -10.419   1.423  -6.974
   94    H    THR  10           HN       THR  10  -9.632   3.866 -11.236
   95    HA   THR  10           HA       THR  10 -10.481   5.999 -11.604
   96    HB   THR  10           HB       THR  10 -12.731   6.098 -11.822
   97    HG1  THR  10          1HG       THR  10 -12.940   4.609  -9.426
   98   1HG2  THR  10          2HG2      THR  10 -11.825   3.830 -12.729
   99   2HG2  THR  10          3HG2      THR  10 -12.707   3.103 -11.362
  100   3HG2  THR  10          1HG2      THR  10 -13.578   4.043 -12.563
  101    QG2  THR  10           QG2      THR  10 -12.703   3.659 -12.218
  102    NH1  ARG  11           NH2      ARG  11 -12.575  13.441  -7.508
  103    NH2  ARG  11           NH1      ARG  11 -13.552  13.741  -9.588
  104    H    ARG  11           HN       ARG  11 -12.543   7.218  -9.911
  105    HA   ARG  11           HA       ARG  11 -10.902   8.967  -8.439
  106   1HB   ARG  11          2HB       ARG  11 -13.238   9.479  -9.093
  107   2HB   ARG  11          3HB       ARG  11 -13.826   8.347  -7.856
  108   1HG   ARG  11          2HG       ARG  11 -12.846   9.672  -6.065
  109   2HG   ARG  11          3HG       ARG  11 -11.989  10.705  -7.219
  110   1HD   ARG  11          2HD       ARG  11 -15.020  10.457  -7.051
  111   2HD   ARG  11          3HD       ARG  11 -14.124  11.684  -6.177
  112    HE   ARG  11           HE       ARG  11 -14.742  11.589  -9.031
  113   1HH1  ARG  11          2HH2      ARG  11 -12.465  12.879  -6.677
  114   2HH1  ARG  11          1HH2      ARG  11 -12.042  14.293  -7.593
  115   1HH2  ARG  11          2HH1      ARG  11 -14.188  13.441 -10.314
  116   2HH2  ARG  11          1HH1      ARG  11 -13.027  14.590  -9.737
  117    QB   ARG  11           QB       ARG  11 -13.532   8.913  -8.474
  118    QG   ARG  11           QG       ARG  11 -12.417  10.188  -6.642
  119    QD   ARG  11           QD       ARG  11 -14.572  11.071  -6.614
  120    QH1  ARG  11           QH2      ARG  11 -12.253  13.586  -7.135
  121    QH2  ARG  11           QH1      ARG  11 -13.607  14.016 -10.026
  122    H    ALA  12           HN       ALA  12 -10.198   9.069  -6.372
  123    HA   ALA  12           HA       ALA  12  -9.889   6.450  -5.083
  124   1HB   ALA  12          3HB       ALA  12  -8.511   9.159  -4.906
  125   2HB   ALA  12          1HB       ALA  12  -8.202   7.878  -3.733
  126   3HB   ALA  12          2HB       ALA  12  -7.849   7.607  -5.462
  127    QB   ALA  12           QB       ALA  12  -8.187   8.215  -4.700
  128    H    THR  13           HN       THR  13  -9.952   6.261  -2.742
  129    HA   THR  13           HA       THR  13 -11.558   8.252  -1.290
  130    HB   THR  13           HB       THR  13 -12.972   6.586  -0.332
  131    HG1  THR  13          1HG       THR  13 -11.600   4.605  -1.833
  132   1HG2  THR  13          3HG2      THR  13 -13.611   7.279  -2.686
  133   2HG2  THR  13          1HG2      THR  13 -12.797   5.821  -3.295
  134   3HG2  THR  13          2HG2      THR  13 -14.190   5.659  -2.221
  135    QG2  THR  13           QG2      THR  13 -13.532   6.253  -2.734
  136    H    THR  14           HN       THR  14 -11.120   8.112   1.032
  137    HA   THR  14           HA       THR  14  -8.487   6.933   1.710
  138    HB   THR  14           HB       THR  14  -8.827   8.557   3.700
  139    HG1  THR  14          1HG       THR  14 -11.027   8.981   3.461
  140   1HG2  THR  14          2HG2      THR  14  -8.635   9.660   0.861
  141   2HG2  THR  14          3HG2      THR  14  -8.166  10.524   2.341
  142   3HG2  THR  14          1HG2      THR  14  -7.294   9.054   1.868
  143    QG2  THR  14           QG2      THR  14  -8.032   9.746   1.690
  144    H    LYS  15           HN       LYS  15  -8.360   6.048   3.985
  145    HA   LYS  15           HA       LYS  15 -10.740   5.533   5.394
  146   1HB   LYS  15          2HB       LYS  15 -10.076   3.492   3.449
  147   2HB   LYS  15          3HB       LYS  15  -9.799   2.820   5.044
  148   1HG   LYS  15          2HG       LYS  15 -12.075   3.486   5.739
  149   2HG   LYS  15          3HG       LYS  15 -12.352   4.229   4.147
  150   1HD   LYS  15          2HD       LYS  15 -11.931   2.004   3.068
  151   2HD   LYS  15          3HD       LYS  15 -11.848   1.258   4.668
  152   1HE   LYS  15          2HE       LYS  15 -14.241   2.773   3.478
  153   2HE   LYS  15          3HE       LYS  15 -14.085   1.015   3.578
  154   1HZ   LYS  15          1HZ       LYS  15 -13.987   1.266   6.003
  155   2HZ   LYS  15          2HZ       LYS  15 -14.293   2.879   5.847
  156   3HZ   LYS  15          3HZ       LYS  15 -15.410   1.780   5.362
  157    QB   LYS  15           QB       LYS  15  -9.938   3.156   4.247
  158    QG   LYS  15           QG       LYS  15 -12.214   3.858   4.943
  159    QD   LYS  15           QD       LYS  15 -11.890   1.631   3.868
  160    QE   LYS  15           QE       LYS  15 -14.163   1.894   3.528
  161    QZ   LYS  15           QZ       LYS  15 -14.563   1.975   5.737
  162    H    SER  16           HN       SER  16 -10.144   3.913   7.233
  163    HA   SER  16           HA       SER  16  -7.750   5.144   8.466
  164   1HB   SER  16          2HB       SER  16  -9.955   5.207   9.647
  165   2HB   SER  16          3HB       SER  16  -9.935   3.428   9.726
  166    HG   SER  16           HG       SER  16  -9.074   4.344  11.624
  167    QB   SER  16           QB       SER  16  -9.945   4.317   9.687
  168    H    CYS  17           HN       CYS  17  -6.430   3.683   9.852
  169    HA   CYS  17           HA       CYS  17  -6.131   0.866   9.042
  170   1HB   CYS  17          2HB       CYS  17  -4.952   1.852   7.239
  171   2HB   CYS  17          3HB       CYS  17  -4.302   3.127   8.270
  172    QB   CYS  17           QB       CYS  17  -4.627   2.490   7.755
  173    H    GLU  20           HN       GLU  20  -4.981  -0.274  10.585
  174    HA   GLU  20           HA       GLU  20  -4.520   1.118  13.149
  175   1HB   GLU  20          2HB       GLU  20  -4.695  -1.031  14.137
  176   2HB   GLU  20          3HB       GLU  20  -5.990  -0.899  12.943
  177   1HG   GLU  20          2HG       GLU  20  -4.515  -2.219  11.325
  178   2HG   GLU  20          3HG       GLU  20  -3.385  -2.453  12.674
  179    QB   GLU  20           QB       GLU  20  -5.343  -0.965  13.540
  180    QG   GLU  20           QG       GLU  20  -3.950  -2.336  11.999
  181    H    GLU  21           HN       GLU  21  -2.808  -0.829  10.686
  182    HA   GLU  21           HA       GLU  21  -0.351  -1.021  12.112
  183   1HB   GLU  21          2HB       GLU  21  -0.859  -1.159   9.108
  184   2HB   GLU  21          3HB       GLU  21   0.639  -1.598   9.931
  185   1HG   GLU  21          2HG       GLU  21  -0.682  -3.241  11.333
  186   2HG   GLU  21          3HG       GLU  21  -2.047  -2.987  10.224
  187    QB   GLU  21           QB       GLU  21  -0.110  -1.378   9.519
  188    QG   GLU  21           QG       GLU  21  -1.365  -3.114  10.778
  189    H    ASN  22           HN       ASN  22   1.696  -0.031  11.455
  190    HA   ASN  22           HA       ASN  22   1.426   2.868  11.552
  191   1HB   ASN  22          2HB       ASN  22   3.841   2.861  11.769
  192   2HB   ASN  22          3HB       ASN  22   3.152   1.632  12.841
  193   1HD2  ASN  22          2HD2      ASN  22   5.780   0.499   9.974
  194   2HD2  ASN  22          1HD2      ASN  22   5.506   2.185  10.377
  195    QB   ASN  22           QB       ASN  22   3.497   2.247  12.305
  196    QD2  ASN  22           QD2      ASN  22   5.643   1.342  10.175
  197    H    SER  23           HN       SER  23   2.164   0.404   9.078
  198    HA   SER  23           HA       SER  23   3.145   2.485   7.225
  199   1HB   SER  23          2HB       SER  23   3.624   0.081   6.032
  200   2HB   SER  23          3HB       SER  23   4.756   0.894   7.126
  201    HG   SER  23           HG       SER  23   4.390  -1.264   7.803
  202    QB   SER  23           QB       SER  23   4.190   0.488   6.579
  203    H    CYS  24           HN       CYS  24   2.581   2.308   4.996
  204    HA   CYS  24           HA       CYS  24   0.255   0.624   4.393
  205   1HB   CYS  24          2HB       CYS  24   0.199   3.347   3.172
  206   2HB   CYS  24          3HB       CYS  24  -1.123   2.227   3.502
  207    QB   CYS  24           QB       CYS  24  -0.462   2.787   3.337
  208    OH   TYR  25           OH       TYR  25  -2.261  -4.843  -0.446
  209    H    TYR  25           HN       TYR  25   0.176   0.067   2.107
  210    HA   TYR  25           HA       TYR  25   2.933   0.299   0.963
  211   1HB   TYR  25          2HB       TYR  25   3.045  -1.987   0.666
  212   2HB   TYR  25          3HB       TYR  25   2.371  -1.807   2.274
  213    HD1  TYR  25           HD2      TYR  25   1.692  -2.756  -1.234
  214    HD2  TYR  25           HD1      TYR  25   0.041  -2.529   2.742
  215    HE1  TYR  25           HE2      TYR  25  -0.294  -4.023  -1.990
  216    HE2  TYR  25           HE1      TYR  25  -1.857  -3.953   2.022
  217    HH   TYR  25           HH       TYR  25  -2.161  -5.222  -1.339
  218    QB   TYR  25           QB       TYR  25   2.708  -1.897   1.470
  219    QR   TYR  25           QR       TYR  25  -0.104  -3.315   0.385
  220    H    LYS  26           HN       LYS  26   3.146  -0.286  -1.281
  221    HA   LYS  26           HA       LYS  26   0.683  -0.132  -2.875
  222   1HB   LYS  26          2HB       LYS  26   1.457   2.192  -2.669
  223   2HB   LYS  26          3HB       LYS  26   3.102   1.736  -3.130
  224   1HG   LYS  26          2HG       LYS  26   2.487   1.287  -5.375
  225   2HG   LYS  26          3HG       LYS  26   0.758   1.199  -4.984
  226   1HD   LYS  26          2HD       LYS  26   0.766   3.617  -4.414
  227   2HD   LYS  26          3HD       LYS  26   2.476   3.722  -4.818
  228   1HE   LYS  26          2HE       LYS  26   2.086   3.268  -7.132
  229   2HE   LYS  26          3HE       LYS  26   0.434   2.698  -6.850
  230   1HZ   LYS  26          1HZ       LYS  26   1.213   5.462  -6.233
  231   2HZ   LYS  26          2HZ       LYS  26   0.607   5.038  -7.728
  232   3HZ   LYS  26          3HZ       LYS  26  -0.238   4.925  -6.286
  233    QB   LYS  26           QB       LYS  26   2.279   1.964  -2.899
  234    QG   LYS  26           QG       LYS  26   1.622   1.243  -5.179
  235    QD   LYS  26           QD       LYS  26   1.621   3.669  -4.616
  236    QE   LYS  26           QE       LYS  26   1.260   2.983  -6.991
  237    QZ   LYS  26           QZ       LYS  26   0.528   5.142  -6.749
  238    H    LYS  27           HN       LYS  27   0.667  -1.423  -4.611
  239    HA   LYS  27           HA       LYS  27   3.161  -2.866  -5.292
  240   1HB   LYS  27          2HB       LYS  27   1.992  -4.062  -3.473
  241   2HB   LYS  27          3HB       LYS  27   0.508  -4.078  -4.427
  242   1HG   LYS  27          2HG       LYS  27   1.807  -5.394  -6.222
  243   2HG   LYS  27          3HG       LYS  27   3.170  -5.392  -5.090
  244   1HD   LYS  27          2HD       LYS  27   2.193  -7.451  -4.608
  245   2HD   LYS  27          3HD       LYS  27   1.417  -6.400  -3.398
  246   1HE   LYS  27          2HE       LYS  27  -0.431  -6.084  -5.218
  247   2HE   LYS  27          3HE       LYS  27   0.282  -7.485  -6.024
  248   1HZ   LYS  27          2HZ       LYS  27  -0.218  -8.734  -3.932
  249   2HZ   LYS  27          3HZ       LYS  27  -0.874  -7.304  -3.316
  250   3HZ   LYS  27          1HZ       LYS  27  -1.569  -7.955  -4.562
  251    QB   LYS  27           QB       LYS  27   1.250  -4.070  -3.950
  252    QG   LYS  27           QG       LYS  27   2.488  -5.393  -5.656
  253    QD   LYS  27           QD       LYS  27   1.805  -6.925  -4.003
  254    QE   LYS  27           QE       LYS  27  -0.075  -6.784  -5.621
  255    QZ   LYS  27           QZ       LYS  27  -0.887  -7.998  -3.937
  256    OH   TYR  28           OH       TYR  28   7.876  -0.694  -6.954
  257    H    TYR  28           HN       TYR  28   3.275  -3.366  -7.425
  258    HA   TYR  28           HA       TYR  28   1.042  -2.642  -9.218
  259   1HB   TYR  28          2HB       TYR  28   2.743  -1.133 -10.348
  260   2HB   TYR  28          3HB       TYR  28   2.012  -0.547  -8.865
  261    HD1  TYR  28           HD2      TYR  28   3.339  -0.391  -6.767
  262    HD2  TYR  28           HD1      TYR  28   5.147  -1.737 -10.434
  263    HE1  TYR  28           HE2      TYR  28   5.575  -0.120  -5.753
  264    HE2  TYR  28           HE1      TYR  28   7.398  -1.439  -9.424
  265    HH   TYR  28           HH       TYR  28   7.871  -0.477  -6.018
  266    QB   TYR  28           QB       TYR  28   2.378  -0.840  -9.606
  267    QR   TYR  28           QR       TYR  28   5.365  -0.922  -8.094
  268    CH2  TRP  29           CH2      TRP  29  -2.233  -6.494  -8.682
  269    H    TRP  29           HN       TRP  29   1.174  -3.727 -11.149
  270    HA   TRP  29           HA       TRP  29   3.701  -4.812 -12.105
  271   1HB   TRP  29          2HB       TRP  29   2.862  -7.048 -12.377
  272   2HB   TRP  29          3HB       TRP  29   2.852  -6.626 -10.671
  273    HD1  TRP  29           HD1      TRP  29   0.628  -7.832 -13.434
  274    HE1  TRP  29           HE1      TRP  29  -1.750  -8.175 -12.608
  275    HE3  TRP  29           HE3      TRP  29   1.049  -5.586  -8.853
  276    HZ2  TRP  29           HZ2      TRP  29  -3.302  -7.573 -10.221
  277    HZ3  TRP  29           HZ3      TRP  29  -0.909  -5.390  -7.381
  278    HH2  TRP  29           HH2      TRP  29  -3.081  -6.437  -8.014
  279    QB   TRP  29           QB       TRP  29   2.857  -6.837 -11.524
  280    NH1  ARG  30           NH2      ARG  30   6.199  -2.030 -13.224
  281    NH2  ARG  30           NH1      ARG  30   6.847  -0.214 -14.514
  282    H    ARG  30           HN       ARG  30   3.286  -5.727 -14.382
  283    HA   ARG  30           HA       ARG  30   1.388  -3.943 -15.776
  284   1HB   ARG  30          2HB       ARG  30   3.920  -5.385 -16.585
  285   2HB   ARG  30          3HB       ARG  30   2.778  -4.740 -17.733
  286   1HG   ARG  30          2HG       ARG  30   4.467  -3.087 -17.467
  287   2HG   ARG  30          3HG       ARG  30   2.984  -2.462 -16.730
  288   1HD   ARG  30          2HD       ARG  30   3.813  -2.885 -14.504
  289   2HD   ARG  30          3HD       ARG  30   5.182  -3.846 -15.140
  290    HE   ARG  30           HE       ARG  30   5.295  -1.228 -16.221
  291   1HH1  ARG  30          2HH2      ARG  30   5.656  -2.875 -13.128
  292   2HH1  ARG  30          1HH2      ARG  30   6.791  -1.745 -12.459
  293   1HH2  ARG  30          2HH1      ARG  30   6.803   0.310 -15.376
  294   2HH2  ARG  30          1HH1      ARG  30   7.451   0.126 -13.781
  295    QB   ARG  30           QB       ARG  30   3.349  -5.063 -17.159
  296    QG   ARG  30           QG       ARG  30   3.726  -2.775 -17.098
  297    QD   ARG  30           QD       ARG  30   4.498  -3.366 -14.822
  298    QH1  ARG  30           QH2      ARG  30   6.224  -2.310 -12.794
  299    QH2  ARG  30           QH1      ARG  30   7.127   0.218 -14.579
  300    H    ASP  31           HN       ASP  31   0.125  -4.788 -17.370
  301    HA   ASP  31           HA       ASP  31  -0.661  -7.676 -17.029
  302   1HB   ASP  31          2HB       ASP  31  -2.432  -6.301 -16.303
  303   2HB   ASP  31          3HB       ASP  31  -2.211  -5.129 -17.606
  304    QB   ASP  31           QB       ASP  31  -2.322  -5.715 -16.954
  305    H    HIS  32           HN       HIS  32  -1.393  -5.323 -19.536
  306    HA   HIS  32           HA       HIS  32  -0.042  -7.011 -21.619
  307   1HB   HIS  32          2HB       HIS  32  -2.873  -5.882 -21.720
  308   2HB   HIS  32          3HB       HIS  32  -2.037  -6.741 -23.023
  309    HD1  HIS  32           HD1      HIS  32  -0.904  -8.951 -20.689
  310    HD2  HIS  32           HD2      HIS  32  -4.820  -7.616 -21.344
  311    HE1  HIS  32           HE1      HIS  32  -2.438 -10.765 -19.775
  312    HE2  HIS  32           HE2      HIS  32  -4.818  -9.906 -20.108
  313    QB   HIS  32           QB       HIS  32  -2.455  -6.311 -22.371
  314    NH1  ARG  33           NH2      ARG  33  -2.642  -4.787 -26.816
  315    NH2  ARG  33           NH1      ARG  33  -1.174  -5.051 -28.592
  316    H    ARG  33           HN       ARG  33  -1.848  -3.912 -21.235
  317    HA   ARG  33           HA       ARG  33   0.544  -2.470 -22.249
  318   1HB   ARG  33          2HB       ARG  33  -2.272  -2.097 -23.366
  319   2HB   ARG  33          3HB       ARG  33  -0.865  -1.076 -23.712
  320   1HG   ARG  33          2HG       ARG  33   0.331  -3.092 -24.616
  321   2HG   ARG  33          3HG       ARG  33  -1.176  -4.013 -24.444
  322   1HD   ARG  33          2HD       ARG  33  -2.313  -2.281 -25.930
  323   2HD   ARG  33          3HD       ARG  33  -0.757  -1.486 -26.102
  324    HE   ARG  33           HE       ARG  33   0.008  -3.091 -27.536
  325   1HH1  ARG  33          2HH2      ARG  33  -2.886  -4.306 -25.963
  326   2HH1  ARG  33          1HH2      ARG  33  -3.222  -5.552 -27.129
  327   1HH2  ARG  33          2HH1      ARG  33  -0.361  -4.751 -29.110
  328   2HH2  ARG  33          1HH1      ARG  33  -1.693  -5.846 -28.936
  329    QB   ARG  33           QB       ARG  33  -1.569  -1.587 -23.539
  330    QG   ARG  33           QG       ARG  33  -0.422  -3.552 -24.530
  331    QD   ARG  33           QD       ARG  33  -1.535  -1.884 -26.016
  332    QH1  ARG  33           QH2      ARG  33  -3.054  -4.929 -26.546
  333    QH2  ARG  33           QH1      ARG  33  -1.027  -5.298 -29.023
  334    H    GLY  34           HN       GLY  34  -0.567  -2.865 -19.560
  335   1HA   GLY  34          1HA       GLY  34  -0.704  -0.125 -18.739
  336   2HA   GLY  34          2HA       GLY  34  -2.295  -0.924 -18.637
  337    QA   GLY  34           QA       GLY  34  -1.499  -0.524 -18.688
  338    H    THR  35           HN       THR  35  -1.233  -0.107 -16.317
  339    HA   THR  35           HA       THR  35   0.018  -2.462 -15.057
  340    HB   THR  35           HB       THR  35   1.313  -0.315 -15.141
  341    HG1  THR  35          1HG       THR  35   1.261  -2.056 -13.361
  342   1HG2  THR  35          2HG2      THR  35  -0.573   1.283 -14.756
  343   2HG2  THR  35          3HG2      THR  35  -0.720   0.674 -13.097
  344   3HG2  THR  35          1HG2      THR  35   0.758   1.497 -13.605
  345    QG2  THR  35           QG2      THR  35  -0.179   1.151 -13.819
  346    H    ILE  36           HN       ILE  36  -0.816  -3.247 -13.148
  347    HA   ILE  36           HA       ILE  36  -3.568  -2.309 -12.441
  348    HB   ILE  36           HB       ILE  36  -2.250  -4.981 -11.930
  349   1HG1  ILE  36          2HG1      ILE  36  -2.648  -4.779 -14.309
  350   2HG1  ILE  36          3HG1      ILE  36  -3.814  -5.887 -13.598
  351   1HG2  ILE  36          1HG2      ILE  36  -5.016  -3.857 -11.327
  352   2HG2  ILE  36          2HG2      ILE  36  -4.682  -5.600 -11.371
  353   3HG2  ILE  36          3HG2      ILE  36  -3.850  -4.565 -10.202
  354   1HD1  ILE  36          2HD1      ILE  36  -5.513  -4.006 -13.588
  355   2HD1  ILE  36          3HD1      ILE  36  -4.333  -3.002 -14.460
  356   3HD1  ILE  36          1HD1      ILE  36  -4.952  -4.480 -15.200
  357    QG1  ILE  36           QG1      ILE  36  -3.231  -5.333 -13.954
  358    QG2  ILE  36           QG2      ILE  36  -4.516  -4.674 -10.966
  359    QD1  ILE  36           QD1      ILE  36  -4.933  -3.829 -14.416
  360    H    ILE  37           HN       ILE  37  -3.712  -1.204 -10.600
  361    HA   ILE  37           HA       ILE  37  -1.360  -1.070  -8.803
  362    HB   ILE  37           HB       ILE  37  -3.730   0.816  -9.346
  363   1HG1  ILE  37          2HG1      ILE  37  -2.226   0.837 -11.214
  364   2HG1  ILE  37          3HG1      ILE  37  -2.009   2.310 -10.278
  365   1HG2  ILE  37          2HG2      ILE  37  -1.416   0.924  -7.365
  366   2HG2  ILE  37          3HG2      ILE  37  -2.229   2.399  -7.938
  367   3HG2  ILE  37          1HG2      ILE  37  -3.144   1.163  -7.066
  368   1HD1  ILE  37          3HD1      ILE  37   0.017   1.150  -9.168
  369   2HD1  ILE  37          1HD1      ILE  37  -0.150  -0.097 -10.428
  370   3HD1  ILE  37          2HD1      ILE  37   0.181   1.578 -10.878
  371    QG1  ILE  37           QG1      ILE  37  -2.117   1.573 -10.746
  372    QG2  ILE  37           QG2      ILE  37  -2.263   1.495  -7.456
  373    QD1  ILE  37           QD1      ILE  37   0.016   0.877 -10.158
  374    H    GLU  38           HN       GLU  38  -1.495  -2.181  -6.991
  375    HA   GLU  38           HA       GLU  38  -4.153  -2.641  -5.732
  376   1HB   GLU  38          2HB       GLU  38  -2.787  -4.640  -6.250
  377   2HB   GLU  38          3HB       GLU  38  -1.541  -4.014  -5.156
  378   1HG   GLU  38          2HG       GLU  38  -3.326  -4.051  -3.306
  379   2HG   GLU  38          3HG       GLU  38  -4.416  -4.809  -4.487
  380    QB   GLU  38           QB       GLU  38  -2.164  -4.327  -5.703
  381    QG   GLU  38           QG       GLU  38  -3.871  -4.430  -3.897
  382    NH1  ARG  39           NH1      ARG  39  -1.225   1.360  -3.068
  383    NH2  ARG  39           NH2      ARG  39  -1.829   3.040  -4.544
  384    H    ARG  39           HN       ARG  39  -4.298  -2.220  -3.474
  385    HA   ARG  39           HA       ARG  39  -2.150  -0.775  -2.151
  386   1HB   ARG  39          2HB       ARG  39  -3.674   0.949  -3.286
  387   2HB   ARG  39          3HB       ARG  39  -5.009   0.342  -2.331
  388   1HG   ARG  39          2HG       ARG  39  -4.319   1.199  -0.371
  389   2HG   ARG  39          3HG       ARG  39  -2.609   1.063  -0.757
  390   1HD   ARG  39          2HD       ARG  39  -4.450   3.089  -2.091
  391   2HD   ARG  39          3HD       ARG  39  -3.540   3.423  -0.617
  392    HE   ARG  39           HE       ARG  39  -1.816   4.021  -1.993
  393   1HH1  ARG  39          2HH1      ARG  39  -0.951   1.126  -2.115
  394   2HH1  ARG  39          1HH1      ARG  39  -1.189   0.625  -3.778
  395   1HH2  ARG  39          2HH2      ARG  39  -1.856   4.061  -4.634
  396   2HH2  ARG  39          1HH2      ARG  39  -1.606   2.471  -5.341
  397    QB   ARG  39           QB       ARG  39  -4.341   0.645  -2.809
  398    QG   ARG  39           QG       ARG  39  -3.464   1.131  -0.564
  399    QD   ARG  39           QD       ARG  39  -3.995   3.256  -1.354
  400    QH1  ARG  39           QH1      ARG  39  -1.070   0.876  -2.947
  401    QH2  ARG  39           QH2      ARG  39  -1.731   3.266  -4.988
  402    H    GLY  40           HN       GLY  40  -2.238  -0.924   0.094
  403   1HA   GLY  40          1HA       GLY  40  -4.693  -1.161   1.372
  404   2HA   GLY  40          2HA       GLY  40  -3.869  -2.733   1.505
  405    QA   GLY  40           QA       GLY  40  -4.281  -1.947   1.438
  406    H    CYS  41           HN       CYS  41  -4.003  -1.902   3.814
  407    HA   CYS  41           HA       CYS  41  -1.833  -0.027   4.581
  408   1HB   CYS  41          2HB       CYS  41  -3.407   0.839   5.781
  409   2HB   CYS  41          3HB       CYS  41  -4.556  -0.468   5.543
  410    QB   CYS  41           QB       CYS  41  -3.981   0.185   5.662
  411    H    GLY  42           HN       GLY  42  -0.509  -0.651   6.375
  412   1HA   GLY  42          1HA       GLY  42   0.607  -2.299   7.670
  413   2HA   GLY  42          2HA       GLY  42  -0.082  -3.588   6.655
  414    QA   GLY  42           QA       GLY  42   0.263  -2.943   7.163
  415    H    CYS  43           HN       CYS  43   2.138  -4.315   6.460
  416    HA   CYS  43           HA       CYS  43   3.201  -3.346   3.895
  417   1HB   CYS  43          2HB       CYS  43   4.508  -2.001   5.448
  418   2HB   CYS  43          3HB       CYS  43   4.968  -3.457   6.350
  419    QB   CYS  43           QB       CYS  43   4.738  -2.729   5.899
  420    HA   PRO  44           HA       PRO  44   3.249  -7.926   4.444
  421   1HB   PRO  44          2HB       PRO  44   1.800  -8.515   2.137
  422   2HB   PRO  44          3HB       PRO  44   1.110  -8.345   3.771
  423   1HG   PRO  44          2HG       PRO  44   0.946  -6.452   1.481
  424   2HG   PRO  44          3HG       PRO  44  -0.129  -6.623   2.894
  425   1HD   PRO  44          2HD       PRO  44   1.937  -4.684   2.483
  426   2HD   PRO  44          3HD       PRO  44   0.972  -4.937   3.969
  427    QB   PRO  44           QB       PRO  44   1.455  -8.430   2.954
  428    QG   PRO  44           QG       PRO  44   0.408  -6.538   2.188
  429    QD   PRO  44           QD       PRO  44   1.454  -4.811   3.226
  430    H    LYS  45           HN       LYS  45   4.390  -9.424   3.065
  431    HA   LYS  45           HA       LYS  45   6.230  -8.174   1.117
  432   1HB   LYS  45          2HB       LYS  45   7.232  -9.717   2.636
  433   2HB   LYS  45          3HB       LYS  45   6.017 -10.969   2.275
  434   1HG   LYS  45          2HG       LYS  45   6.842 -11.263   0.072
  435   2HG   LYS  45          3HG       LYS  45   7.950  -9.851   0.223
  436   1HD   LYS  45          2HD       LYS  45   9.407 -11.047   1.642
  437   2HD   LYS  45          3HD       LYS  45   8.180 -12.249   2.059
  438   1HE   LYS  45          2HE       LYS  45   9.951 -13.057   0.422
  439   2HE   LYS  45          3HE       LYS  45   8.271 -13.317  -0.063
  440   1HZ   LYS  45          2HZ       LYS  45   9.820 -11.005  -1.000
  441   2HZ   LYS  45          3HZ       LYS  45   9.758 -12.429  -1.812
  442   3HZ   LYS  45          1HZ       LYS  45   8.378 -11.559  -1.600
  443    QB   LYS  45           QB       LYS  45   6.624 -10.343   2.456
  444    QG   LYS  45           QG       LYS  45   7.396 -10.557   0.148
  445    QD   LYS  45           QD       LYS  45   8.794 -11.648   1.851
  446    QE   LYS  45           QE       LYS  45   9.111 -13.187   0.180
  447    QZ   LYS  45           QZ       LYS  45   9.319 -11.664  -1.471
  448    H    VAL  46           HN       VAL  46   6.432  -9.189  -0.955
  449    HA   VAL  46           HA       VAL  46   3.898 -10.242  -2.124
  450    HB   VAL  46           HB       VAL  46   4.238  -8.861  -4.064
  451   1HG1  VAL  46          1HG1      VAL  46   3.031  -7.869  -2.122
  452   2HG1  VAL  46          2HG1      VAL  46   4.545  -7.154  -1.541
  453   3HG1  VAL  46          3HG1      VAL  46   3.875  -6.636  -3.085
  454   1HG2  VAL  46          3HG2      VAL  46   6.719  -8.802  -4.138
  455   2HG2  VAL  46          1HG2      VAL  46   6.021  -7.191  -4.232
  456   3HG2  VAL  46          2HG2      VAL  46   6.737  -7.755  -2.706
  457    QG1  VAL  46           QG1      VAL  46   3.817  -7.219  -2.249
  458    QG2  VAL  46           QG2      VAL  46   6.492  -7.916  -3.692
  459    QQG  VAL  46           QQG      VAL  46   5.155  -7.568  -2.971
  460    H    LYS  47           HN       LYS  47   4.286 -11.260  -4.255
  461    HA   LYS  47           HA       LYS  47   6.534 -13.112  -4.126
  462   1HB   LYS  47          2HB       LYS  47   4.200 -12.850  -6.035
  463   2HB   LYS  47          3HB       LYS  47   5.407 -14.077  -6.213
  464   1HG   LYS  47          2HG       LYS  47   4.999 -14.909  -3.926
  465   2HG   LYS  47          3HG       LYS  47   3.656 -13.754  -3.756
  466   1HD   LYS  47          2HD       LYS  47   2.467 -14.849  -5.640
  467   2HD   LYS  47          3HD       LYS  47   3.871 -15.869  -5.959
  468   1HE   LYS  47          2HE       LYS  47   2.256 -17.205  -4.771
  469   2HE   LYS  47          3HE       LYS  47   3.656 -16.940  -3.726
  470   1HZ   LYS  47          3HZ       LYS  47   1.139 -15.407  -3.584
  471   2HZ   LYS  47          1HZ       LYS  47   1.536 -16.656  -2.594
  472   3HZ   LYS  47          2HZ       LYS  47   2.417 -15.271  -2.554
  473    QB   LYS  47           QB       LYS  47   4.803 -13.463  -6.124
  474    QG   LYS  47           QG       LYS  47   4.328 -14.331  -3.841
  475    QD   LYS  47           QD       LYS  47   3.169 -15.359  -5.800
  476    QE   LYS  47           QE       LYS  47   2.956 -17.072  -4.249
  477    QZ   LYS  47           QZ       LYS  47   1.697 -15.778  -2.911
  478    HA   PRO  48           HA       PRO  48   8.991 -10.766  -6.934
  479   1HB   PRO  48          2HB       PRO  48  10.348 -12.753  -8.347
  480   2HB   PRO  48          3HB       PRO  48  10.716 -12.220  -6.686
  481   1HG   PRO  48          2HG       PRO  48   9.391 -14.728  -7.571
  482   2HG   PRO  48          3HG       PRO  48  10.258 -14.377  -6.052
  483   1HD   PRO  48          2HD       PRO  48   7.430 -14.419  -6.521
  484   2HD   PRO  48          3HD       PRO  48   8.252 -13.965  -5.012
  485    QB   PRO  48           QB       PRO  48  10.532 -12.487  -7.517
  486    QG   PRO  48           QG       PRO  48   9.825 -14.553  -6.812
  487    QD   PRO  48           QD       PRO  48   7.841 -14.192  -5.766
  488    H    GLY  49           HN       GLY  49   9.417 -10.305  -9.280
  489   1HA   GLY  49          1HA       GLY  49   8.644  -9.845 -11.358
  490   2HA   GLY  49          2HA       GLY  49   7.522 -11.194 -11.203
  491    QA   GLY  49           QA       GLY  49   8.083 -10.520 -11.280
  492    H    VAL  50           HN       VAL  50   7.194  -9.225  -8.455
  493    HA   VAL  50           HA       VAL  50   5.328  -7.271  -9.672
  494    HB   VAL  50           HB       VAL  50   4.735  -9.140  -7.332
  495   1HG1  VAL  50          2HG1      VAL  50   3.286  -6.673  -8.359
  496   2HG1  VAL  50          3HG1      VAL  50   2.521  -7.904  -7.329
  497   3HG1  VAL  50          1HG1      VAL  50   3.908  -6.984  -6.727
  498   1HG2  VAL  50          3HG2      VAL  50   3.506  -8.808 -10.102
  499   2HG2  VAL  50          1HG2      VAL  50   4.323 -10.242  -9.453
  500   3HG2  VAL  50          2HG2      VAL  50   2.763  -9.745  -8.793
  501    QG1  VAL  50           QG1      VAL  50   3.238  -7.187  -7.472
  502    QG2  VAL  50           QG2      VAL  50   3.531  -9.598  -9.449
  503    QQG  VAL  50           QQG      VAL  50   3.385  -8.393  -8.460
  504    H    GLY  51           HN       GLY  51   6.181  -5.335  -9.163
  505   1HA   GLY  51          1HA       GLY  51   8.135  -5.064  -7.120
  506   2HA   GLY  51          2HA       GLY  51   7.493  -3.750  -8.095
  507    QA   GLY  51           QA       GLY  51   7.814  -4.407  -7.608
  508    H    ILE  52           HN       ILE  52   7.888  -3.131  -5.577
  509    HA   ILE  52           HA       ILE  52   5.273  -2.704  -4.449
  510    HB   ILE  52           HB       ILE  52   5.694  -5.009  -3.758
  511   1HG1  ILE  52          2HG1      ILE  52   4.615  -3.162  -2.230
  512   2HG1  ILE  52          3HG1      ILE  52   4.811  -4.824  -1.720
  513   1HG2  ILE  52          1HG2      ILE  52   8.235  -3.994  -2.419
  514   2HG2  ILE  52          2HG2      ILE  52   7.507  -5.588  -2.163
  515   3HG2  ILE  52          3HG2      ILE  52   8.109  -5.140  -3.762
  516   1HD1  ILE  52          2HD1      ILE  52   6.875  -2.725  -0.977
  517   2HD1  ILE  52          3HD1      ILE  52   5.431  -3.104  -0.024
  518   3HD1  ILE  52          1HD1      ILE  52   6.650  -4.353  -0.313
  519    QG1  ILE  52           QG1      ILE  52   4.713  -3.993  -1.975
  520    QG2  ILE  52           QG2      ILE  52   7.950  -4.907  -2.781
  521    QD1  ILE  52           QD1      ILE  52   6.319  -3.394  -0.438
  522    H    HIS  53           HN       HIS  53   5.342  -1.108  -2.746
  523    HA   HIS  53           HA       HIS  53   7.972  -0.429  -1.678
  524   1HB   HIS  53          2HB       HIS  53   7.380   1.122  -3.722
  525   2HB   HIS  53          3HB       HIS  53   6.254   1.890  -2.608
  526    HD1  HIS  53           HD1      HIS  53   7.761   2.579  -0.085
  527    HD2  HIS  53           HD2      HIS  53   9.739   2.145  -3.804
  528    HE1  HIS  53           HE1      HIS  53   9.986   3.774   0.138
  529    HE2  HIS  53           HE2      HIS  53  11.197   3.520  -2.120
  530    QB   HIS  53           QB       HIS  53   6.817   1.506  -3.165
  531    H    CYS  54           HN       CYS  54   7.769   0.041   0.487
  532    HA   CYS  54           HA       CYS  54   5.032   0.462   1.631
  533   1HB   CYS  54          2HB       CYS  54   7.540  -0.733   2.859
  534   2HB   CYS  54          3HB       CYS  54   6.130  -0.208   3.784
  535    QB   CYS  54           QB       CYS  54   6.835  -0.470   3.321
  536    H    CYS  55           HN       CYS  55   4.915   2.063   3.365
  537    HA   CYS  55           HA       CYS  55   7.197   3.771   3.867
  538   1HB   CYS  55          2HB       CYS  55   5.883   5.842   3.220
  539   2HB   CYS  55          3HB       CYS  55   6.566   4.891   1.915
  540    QB   CYS  55           QB       CYS  55   6.224   5.366   2.567
  541    H    GLN  56           HN       GLN  56   6.623   5.339   5.503
  542    HA   GLN  56           HA       GLN  56   4.738   4.076   7.451
  543   1HB   GLN  56          2HB       GLN  56   6.507   4.183   9.120
  544   2HB   GLN  56          3HB       GLN  56   7.044   3.238   7.727
  545   1HG   GLN  56          2HG       GLN  56   8.335   5.175   6.880
  546   2HG   GLN  56          3HG       GLN  56   7.774   6.169   8.235
  547   1HE2  GLN  56          2HE2      GLN  56  11.113   5.121   9.224
  548   2HE2  GLN  56          1HE2      GLN  56  10.372   6.201   8.059
  549    QB   GLN  56           QB       GLN  56   6.775   3.710   8.424
  550    QG   GLN  56           QG       GLN  56   8.055   5.672   7.557
  551    QE2  GLN  56           QE2      GLN  56  10.743   5.661   8.642
  552    H    SER  57           HN       SER  57   4.285   6.530   5.916
  553    HA   SER  57           HA       SER  57   3.764   8.247   8.289
  554   1HB   SER  57          2HB       SER  57   3.761  10.194   6.699
  555   2HB   SER  57          3HB       SER  57   5.357   9.514   7.064
  556    HG   SER  57           HG       SER  57   4.855   9.946   4.776
  557    QB   SER  57           QB       SER  57   4.559   9.854   6.881
  558    H    ASP  58           HN       ASP  58   1.775   9.583   7.841
  559    HA   ASP  58           HA       ASP  58  -0.435   7.951   7.021
  560   1HB   ASP  58          2HB       ASP  58   0.021  10.882   7.709
  561   2HB   ASP  58          3HB       ASP  58  -1.436  10.412   6.850
  562    QB   ASP  58           QB       ASP  58  -0.708  10.647   7.279
  563    H    LYS  59           HN       LYS  59  -1.581   7.930   5.160
  564    HA   LYS  59           HA       LYS  59  -2.085   8.254   2.894
  565   1HB   LYS  59          2HB       LYS  59  -1.259  11.076   3.716
  566   2HB   LYS  59          3HB       LYS  59  -2.389  10.681   2.426
  567   1HG   LYS  59          2HG       LYS  59  -4.080   9.989   3.922
  568   2HG   LYS  59          3HG       LYS  59  -2.977   9.754   5.275
  569   1HD   LYS  59          2HD       LYS  59  -2.513  12.287   5.217
  570   2HD   LYS  59          3HD       LYS  59  -3.873  12.383   4.098
  571   1HE   LYS  59          2HE       LYS  59  -4.937  12.769   6.123
  572   2HE   LYS  59          3HE       LYS  59  -5.191  11.034   5.946
  573   1HZ   LYS  59          3HZ       LYS  59  -3.043  12.285   7.565
  574   2HZ   LYS  59          1HZ       LYS  59  -4.454  11.735   8.171
  575   3HZ   LYS  59          2HZ       LYS  59  -3.366  10.690   7.601
  576    QB   LYS  59           QB       LYS  59  -1.824  10.879   3.071
  577    QG   LYS  59           QG       LYS  59  -3.528   9.872   4.599
  578    QD   LYS  59           QD       LYS  59  -3.193  12.335   4.657
  579    QE   LYS  59           QE       LYS  59  -5.064  11.902   6.034
  580    QZ   LYS  59           QZ       LYS  59  -3.621  11.570   7.779
  581    H    CYS  60           HN       CYS  60   0.517   7.331   3.297
  582    HA   CYS  60           HA       CYS  60   2.368   9.006   1.784
  583   1HB   CYS  60          2HB       CYS  60   4.038   7.613   2.724
  584   2HB   CYS  60          3HB       CYS  60   2.823   7.899   3.965
  585    QB   CYS  60           QB       CYS  60   3.431   7.756   3.344
  586    H    ASN  61           HN       ASN  61   0.490   6.077   1.328
  587    HA   ASN  61           HA       ASN  61   2.338   5.008  -0.665
  588   1HB   ASN  61          2HB       ASN  61   1.058   2.983  -0.416
  589   2HB   ASN  61          3HB       ASN  61   1.459   3.614   1.178
  590   1HD2  ASN  61          2HD2      ASN  61  -2.248   2.612   0.892
  591   2HD2  ASN  61          1HD2      ASN  61  -0.850   1.796   0.218
  592    QB   ASN  61           QB       ASN  61   1.259   3.299   0.381
  593    QD2  ASN  61           QD2      ASN  61  -1.549   2.204   0.555
  594    OH   TYR  62           OH       TYR  62  -3.482  10.997  -7.299
  595    H    TYR  62           HN       TYR  62   0.935   7.374  -1.509
  596    HA   TYR  62           HA       TYR  62  -1.567   7.032  -2.682
  597   1HB   TYR  62          2HB       TYR  62  -0.403   9.169  -2.330
  598   2HB   TYR  62          3HB       TYR  62   0.792   8.744  -3.546
  599    HD1  TYR  62           HD1      TYR  62   0.209   8.712  -5.959
  600    HD2  TYR  62           HD2      TYR  62  -2.593  10.001  -2.949
  601    HE1  TYR  62           HE1      TYR  62  -1.214   9.734  -7.715
  602    HE2  TYR  62           HE2      TYR  62  -4.029  10.989  -4.704
  603    HH   TYR  62           HH       TYR  62  -4.208  11.517  -6.949
  604    QB   TYR  62           QB       TYR  62   0.194   8.956  -2.938
  605    QR   TYR  62           QR       TYR  62  -1.907   9.859  -5.332
   
  Start of MODEL           4
 Raw file had 605 H/Q atoms
  Start of MODEL    4
    1    NH1  ARG   1           NH2      ARG   1   1.399   7.942  10.407
    2    NH2  ARG   1           NH1      ARG   1   2.979   6.246  10.319
    3    H    ARG   1           HN       ARG   1  -4.902   5.444  12.303
    4    HA   ARG   1           HA       ARG   1  -3.079   6.355  11.020
    5   1HB   ARG   1          2HB       ARG   1  -1.626   4.325  11.304
    6   2HB   ARG   1          3HB       ARG   1  -2.686   3.402  10.256
    7   1HG   ARG   1          2HG       ARG   1  -0.771   3.954   8.981
    8   2HG   ARG   1          3HG       ARG   1  -2.059   4.954   8.359
    9   1HD   ARG   1          2HD       ARG   1  -0.544   6.609   8.603
   10   2HD   ARG   1          3HD       ARG   1  -1.079   6.663  10.278
   11    HE   ARG   1           HE       ARG   1   1.114   4.804   9.732
   12   1HH1  ARG   1          2HH2      ARG   1   0.433   8.268  10.269
   13   2HH1  ARG   1          1HH2      ARG   1   2.073   8.613  10.734
   14   1HH2  ARG   1          2HH1      ARG   1   3.142   5.257  10.139
   15   2HH2  ARG   1          1HH1      ARG   1   3.784   6.859  10.195
   16    QB   ARG   1           QB       ARG   1  -2.156   3.863  10.780
   17    QG   ARG   1           QG       ARG   1  -1.415   4.454   8.670
   18    QD   ARG   1           QD       ARG   1  -0.812   6.636   9.441
   19    QH1  ARG   1           QH2      ARG   1   1.253   8.440  10.502
   20    QH2  ARG   1           QH1      ARG   1   3.463   6.058  10.167
   21    H    ILE   2           HN       ILE   2  -3.456   6.946   8.663
   22    HA   ILE   2           HA       ILE   2  -5.733   5.480   7.386
   23    HB   ILE   2           HB       ILE   2  -5.117   8.451   7.320
   24   1HG1  ILE   2          2HG1      ILE   2  -7.395   6.870   8.601
   25   2HG1  ILE   2          3HG1      ILE   2  -6.163   7.830   9.436
   26   1HG2  ILE   2          2HG2      ILE   2  -5.992   7.573   5.132
   27   2HG2  ILE   2          3HG2      ILE   2  -7.412   6.947   5.995
   28   3HG2  ILE   2          1HG2      ILE   2  -7.098   8.687   5.909
   29   1HD1  ILE   2          3HD1      ILE   2  -7.077   9.886   8.295
   30   2HD1  ILE   2          1HD1      ILE   2  -8.437   8.882   7.723
   31   3HD1  ILE   2          2HD1      ILE   2  -8.164   9.095   9.453
   32    QG1  ILE   2           QG1      ILE   2  -6.779   7.350   9.018
   33    QG2  ILE   2           QG2      ILE   2  -6.834   7.736   5.679
   34    QD1  ILE   2           QD1      ILE   2  -7.893   9.288   8.490
   35    H    CYS   3           HN       CYS   3  -5.391   4.894   5.298
   36    HA   CYS   3           HA       CYS   3  -2.855   5.691   3.932
   37   1HB   CYS   3          2HB       CYS   3  -3.956   2.870   4.234
   38   2HB   CYS   3          3HB       CYS   3  -2.590   3.335   3.217
   39    QB   CYS   3           QB       CYS   3  -3.273   3.102   3.726
   40    OH   TYR   4           OH       TYR   4  -5.233  11.527  -0.655
   41    H    TYR   4           HN       TYR   4  -3.134   5.345   1.492
   42    HA   TYR   4           HA       TYR   4  -6.015   5.504   0.785
   43   1HB   TYR   4          2HB       TYR   4  -3.628   5.609  -1.103
   44   2HB   TYR   4          3HB       TYR   4  -5.295   5.529  -1.505
   45    HD1  TYR   4           HD2      TYR   4  -6.935   7.319  -0.929
   46    HD2  TYR   4           HD1      TYR   4  -2.754   7.764  -0.020
   47    HE1  TYR   4           HE2      TYR   4  -7.179   9.776  -1.080
   48    HE2  TYR   4           HE1      TYR   4  -3.022  10.249  -0.136
   49    HH   TYR   4           HH       TYR   4  -6.100  11.835  -0.928
   50    QB   TYR   4           QB       TYR   4  -4.461   5.569  -1.304
   51    QR   TYR   4           QR       TYR   4  -4.972   8.777  -0.541
   52    H    ASN   5           HN       ASN   5  -7.071   3.964  -0.314
   53    HA   ASN   5           HA       ASN   5  -5.770   1.283  -0.542
   54   1HB   ASN   5          2HB       ASN   5  -7.613   0.142   0.196
   55   2HB   ASN   5          3HB       ASN   5  -7.497   1.474   1.348
   56   1HD2  ASN   5          2HD2      ASN   5 -10.431   3.107  -0.376
   57   2HD2  ASN   5          1HD2      ASN   5  -8.821   3.633  -0.023
   58    QB   ASN   5           QB       ASN   5  -7.555   0.808   0.772
   59    QD2  ASN   5           QD2      ASN   5  -9.626   3.370  -0.200
   60    H    HIS   6           HN       HIS   6  -6.256   3.727  -2.357
   61    HA   HIS   6           HA       HIS   6  -8.237   2.819  -4.226
   62   1HB   HIS   6          2HB       HIS   6  -7.373   4.602  -5.695
   63   2HB   HIS   6          3HB       HIS   6  -8.133   5.019  -4.168
   64    HD1  HIS   6           HD1      HIS   6  -6.841   7.126  -3.149
   65    HD2  HIS   6           HD2      HIS   6  -4.385   4.531  -5.348
   66    HE1  HIS   6           HE1      HIS   6  -4.504   8.213  -3.265
   67    HE2  HIS   6           HE2      HIS   6  -3.037   6.654  -4.620
   68    QB   HIS   6           QB       HIS   6  -7.753   4.811  -4.932
   69    H    GLN   7           HN       GLN   7  -8.106   1.579  -5.837
   70    HA   GLN   7           HA       GLN   7  -5.551   0.207  -6.536
   71   1HB   GLN   7          2HB       GLN   7  -7.474  -1.057  -5.555
   72   2HB   GLN   7          3HB       GLN   7  -8.444  -0.676  -6.978
   73   1HG   GLN   7          2HG       GLN   7  -6.838  -2.030  -8.362
   74   2HG   GLN   7          3HG       GLN   7  -5.906  -2.372  -6.889
   75   1HE2  GLN   7          2HE2      GLN   7  -8.407  -4.582  -5.535
   76   2HE2  GLN   7          1HE2      GLN   7  -7.285  -3.337  -5.017
   77    QB   GLN   7           QB       GLN   7  -7.959  -0.867  -6.266
   78    QG   GLN   7           QG       GLN   7  -6.372  -2.201  -7.625
   79    QE2  GLN   7           QE2      GLN   7  -7.846  -3.960  -5.276
   80    H    SER   8           HN       SER   8  -5.622  -0.545  -8.967
   81    HA   SER   8           HA       SER   8  -6.007   1.613 -10.786
   82   1HB   SER   8          2HB       SER   8  -5.735  -1.355 -11.262
   83   2HB   SER   8          3HB       SER   8  -6.074  -0.219 -12.577
   84    HG   SER   8           HG       SER   8  -3.936  -0.261 -12.544
   85    QB   SER   8           QB       SER   8  -5.904  -0.787 -11.920
   86    H    THR   9           HN       THR   9  -8.308   2.176  -9.921
   87    HA   THR   9           HA       THR   9 -10.323   1.088 -11.778
   88    HB   THR   9           HB       THR   9 -10.313  -0.509  -9.894
   89    HG1  THR   9          1HG       THR   9 -12.208  -0.200 -11.000
   90   1HG2  THR   9          3HG2      THR   9  -9.691   1.049  -8.046
   91   2HG2  THR   9          1HG2      THR   9 -11.312   1.763  -8.129
   92   3HG2  THR   9          2HG2      THR   9 -11.123   0.058  -7.705
   93    QG2  THR   9           QG2      THR   9 -10.709   0.957  -7.960
   94    H    THR  10           HN       THR  10  -9.253   3.519 -11.994
   95    HA   THR  10           HA       THR  10  -9.824   5.762 -12.154
   96    HB   THR  10           HB       THR  10 -11.892   6.304 -12.754
   97    HG1  THR  10          1HG       THR  10 -12.824   4.203 -11.117
   98   1HG2  THR  10          2HG2      THR  10 -10.913   4.567 -14.233
   99   2HG2  THR  10          3HG2      THR  10 -11.863   3.331 -13.374
  100   3HG2  THR  10          1HG2      THR  10 -12.686   4.623 -14.260
  101    QG2  THR  10           QG2      THR  10 -11.820   4.174 -13.956
  102    NH1  ARG  11           NH2      ARG  11 -13.682  12.311  -8.266
  103    NH2  ARG  11           NH1      ARG  11 -14.446  12.413 -10.451
  104    H    ARG  11           HN       ARG  11 -12.275   6.444 -10.641
  105    HA   ARG  11           HA       ARG  11 -11.133   8.219  -8.815
  106   1HB   ARG  11          2HB       ARG  11 -13.447   8.287  -9.745
  107   2HB   ARG  11          3HB       ARG  11 -13.935   7.048  -8.576
  108   1HG   ARG  11          2HG       ARG  11 -13.500   8.528  -6.715
  109   2HG   ARG  11          3HG       ARG  11 -12.668   9.704  -7.749
  110   1HD   ARG  11          2HD       ARG  11 -15.605   8.934  -8.030
  111   2HD   ARG  11          3HD       ARG  11 -15.075  10.310  -7.082
  112    HE   ARG  11           HE       ARG  11 -15.272  10.081  -9.979
  113   1HH1  ARG  11          2HH2      ARG  11 -13.576  11.787  -7.411
  114   2HH1  ARG  11          1HH2      ARG  11 -13.303  13.244  -8.317
  115   1HH2  ARG  11          2HH1      ARG  11 -14.929  12.001 -11.237
  116   2HH2  ARG  11          1HH1      ARG  11 -14.080  13.348 -10.558
  117    QB   ARG  11           QB       ARG  11 -13.691   7.667  -9.161
  118    QG   ARG  11           QG       ARG  11 -13.084   9.116  -7.232
  119    QD   ARG  11           QD       ARG  11 -15.340   9.622  -7.556
  120    QH1  ARG  11           QH2      ARG  11 -13.440  12.515  -7.864
  121    QH2  ARG  11           QH1      ARG  11 -14.505  12.674 -10.897
  122    H    ALA  12           HN       ALA  12 -11.088   8.325  -6.503
  123    HA   ALA  12           HA       ALA  12  -9.996   5.740  -5.501
  124   1HB   ALA  12          3HB       ALA  12  -8.949   8.608  -5.563
  125   2HB   ALA  12          1HB       ALA  12  -8.149   7.268  -4.754
  126   3HB   ALA  12          2HB       ALA  12  -8.345   7.235  -6.520
  127    QB   ALA  12           QB       ALA  12  -8.481   7.704  -5.612
  128    H    THR  13           HN       THR  13  -9.723   5.508  -3.179
  129    HA   THR  13           HA       THR  13 -11.166   7.457  -1.483
  130    HB   THR  13           HB       THR  13 -12.355   5.681  -0.376
  131    HG1  THR  13          1HG       THR  13 -11.415   3.864  -2.328
  132   1HG2  THR  13          3HG2      THR  13 -13.355   6.671  -2.471
  133   2HG2  THR  13          1HG2      THR  13 -12.697   5.305  -3.397
  134   3HG2  THR  13          2HG2      THR  13 -13.898   5.009  -2.139
  135    QG2  THR  13           QG2      THR  13 -13.317   5.662  -2.669
  136    H    THR  14           HN       THR  14 -10.398   7.699   0.588
  137    HA   THR  14           HA       THR  14  -7.958   6.318   1.500
  138    HB   THR  14           HB       THR  14  -8.576   7.687   3.570
  139    HG1  THR  14          1HG       THR  14 -10.813   7.921   2.880
  140   1HG2  THR  14          1HG2      THR  14  -6.899   8.553   1.942
  141   2HG2  THR  14          2HG2      THR  14  -8.227   9.329   1.033
  142   3HG2  THR  14          3HG2      THR  14  -7.857   9.854   2.684
  143    QG2  THR  14           QG2      THR  14  -7.661   9.246   1.886
  144    H    LYS  15           HN       LYS  15  -8.079   4.931   3.360
  145    HA   LYS  15           HA       LYS  15 -10.552   4.686   4.756
  146   1HB   LYS  15          2HB       LYS  15  -9.661   2.405   2.992
  147   2HB   LYS  15          3HB       LYS  15 -10.135   2.004   4.610
  148   1HG   LYS  15          2HG       LYS  15 -12.228   1.888   3.925
  149   2HG   LYS  15          3HG       LYS  15 -12.246   3.654   3.861
  150   1HD   LYS  15          2HD       LYS  15 -11.412   3.486   1.482
  151   2HD   LYS  15          3HD       LYS  15 -11.647   1.739   1.559
  152   1HE   LYS  15          2HE       LYS  15 -13.792   3.902   1.905
  153   2HE   LYS  15          3HE       LYS  15 -13.508   2.956   0.439
  154   1HZ   LYS  15          1HZ       LYS  15 -14.091   0.974   1.648
  155   2HZ   LYS  15          2HZ       LYS  15 -14.362   1.837   3.026
  156   3HZ   LYS  15          3HZ       LYS  15 -15.316   2.067   1.710
  157    QB   LYS  15           QB       LYS  15  -9.898   2.204   3.801
  158    QG   LYS  15           QG       LYS  15 -12.237   2.771   3.893
  159    QD   LYS  15           QD       LYS  15 -11.529   2.613   1.520
  160    QE   LYS  15           QE       LYS  15 -13.650   3.429   1.172
  161    QZ   LYS  15           QZ       LYS  15 -14.589   1.626   2.128
  162    H    SER  16           HN       SER  16 -10.161   3.210   6.681
  163    HA   SER  16           HA       SER  16  -7.909   4.549   7.943
  164   1HB   SER  16          2HB       SER  16 -10.239   4.313   8.917
  165   2HB   SER  16          3HB       SER  16  -9.847   2.612   9.255
  166    HG   SER  16           HG       SER  16  -9.395   4.120  10.996
  167    QB   SER  16           QB       SER  16 -10.043   3.462   9.086
  168    H    CYS  17           HN       CYS  17  -6.475   3.309   9.495
  169    HA   CYS  17           HA       CYS  17  -5.721   0.569   8.638
  170   1HB   CYS  17          2HB       CYS  17  -4.553   2.044   7.093
  171   2HB   CYS  17          3HB       CYS  17  -3.989   3.030   8.424
  172    QB   CYS  17           QB       CYS  17  -4.271   2.537   7.759
  173    H    GLU  20           HN       GLU  20  -4.798  -0.586  10.314
  174    HA   GLU  20           HA       GLU  20  -4.579   0.703  12.943
  175   1HB   GLU  20          2HB       GLU  20  -4.266  -1.577  13.770
  176   2HB   GLU  20          3HB       GLU  20  -5.749  -1.347  12.834
  177   1HG   GLU  20          2HG       GLU  20  -4.499  -2.426  10.842
  178   2HG   GLU  20          3HG       GLU  20  -3.262  -2.887  12.033
  179    QB   GLU  20           QB       GLU  20  -5.008  -1.462  13.302
  180    QG   GLU  20           QG       GLU  20  -3.880  -2.656  11.437
  181    H    GLU  21           HN       GLU  21  -2.377  -1.334  10.907
  182    HA   GLU  21           HA       GLU  21  -0.051  -0.971  12.367
  183   1HB   GLU  21          2HB       GLU  21  -0.384  -1.087   9.367
  184   2HB   GLU  21          3HB       GLU  21   1.180  -1.181  10.185
  185   1HG   GLU  21          2HG       GLU  21   0.340  -3.209  11.409
  186   2HG   GLU  21          3HG       GLU  21  -0.990  -3.281  10.242
  187    QB   GLU  21           QB       GLU  21   0.398  -1.134   9.776
  188    QG   GLU  21           QG       GLU  21  -0.325  -3.245  10.825
  189    H    ASN  22           HN       ASN  22   1.831   0.337  11.986
  190    HA   ASN  22           HA       ASN  22   1.177   3.175  11.722
  191   1HB   ASN  22          2HB       ASN  22   3.380   3.637  12.386
  192   2HB   ASN  22          3HB       ASN  22   2.850   2.279  13.385
  193   1HD2  ASN  22          2HD2      ASN  22   6.270   1.874  11.423
  194   2HD2  ASN  22          1HD2      ASN  22   5.557   3.394  11.913
  195    QB   ASN  22           QB       ASN  22   3.115   2.958  12.885
  196    QD2  ASN  22           QD2      ASN  22   5.914   2.634  11.668
  197    H    SER  23           HN       SER  23   2.116   0.622   9.486
  198    HA   SER  23           HA       SER  23   3.478   2.435   7.665
  199   1HB   SER  23          2HB       SER  23   3.560  -0.022   6.540
  200   2HB   SER  23          3HB       SER  23   4.680   0.507   7.802
  201    HG   SER  23           HG       SER  23   3.401  -1.588   8.231
  202    QB   SER  23           QB       SER  23   4.120   0.243   7.171
  203    H    CYS  24           HN       CYS  24   3.001   2.249   5.404
  204    HA   CYS  24           HA       CYS  24   0.322   1.304   4.602
  205   1HB   CYS  24          2HB       CYS  24   1.500   3.944   3.655
  206   2HB   CYS  24          3HB       CYS  24  -0.012   3.194   3.126
  207    QB   CYS  24           QB       CYS  24   0.744   3.569   3.390
  208    OH   TYR  25           OH       TYR  25  -2.043  -4.416  -0.109
  209    H    TYR  25           HN       TYR  25   0.387   0.747   2.242
  210    HA   TYR  25           HA       TYR  25   3.049   0.857   1.018
  211   1HB   TYR  25          2HB       TYR  25   3.285  -1.437   0.612
  212   2HB   TYR  25          3HB       TYR  25   2.780  -1.371   2.289
  213    HD1  TYR  25           HD1      TYR  25   0.234  -1.727   2.764
  214    HD2  TYR  25           HD2      TYR  25   2.093  -2.732  -0.986
  215    HE1  TYR  25           HE1      TYR  25  -1.698  -3.183   2.181
  216    HE2  TYR  25           HE2      TYR  25   0.090  -4.051  -1.622
  217    HH   TYR  25           HH       TYR  25  -1.988  -4.820  -0.994
  218    QB   TYR  25           QB       TYR  25   3.033  -1.404   1.451
  219    QR   TYR  25           QR       TYR  25   0.180  -2.923   0.584
  220    H    LYS  26           HN       LYS  26   3.129   0.182  -1.135
  221    HA   LYS  26           HA       LYS  26   0.684   0.440  -2.816
  222   1HB   LYS  26          2HB       LYS  26   2.229   2.455  -2.898
  223   2HB   LYS  26          3HB       LYS  26   3.530   1.360  -3.384
  224   1HG   LYS  26          2HG       LYS  26   1.974   0.722  -5.389
  225   2HG   LYS  26          3HG       LYS  26   1.018   2.104  -4.924
  226   1HD   LYS  26          2HD       LYS  26   3.191   3.493  -5.029
  227   2HD   LYS  26          3HD       LYS  26   3.984   2.057  -5.675
  228   1HE   LYS  26          2HE       LYS  26   2.308   2.048  -7.582
  229   2HE   LYS  26          3HE       LYS  26   1.660   3.571  -6.968
  230   1HZ   LYS  26          3HZ       LYS  26   3.875   4.530  -7.260
  231   2HZ   LYS  26          1HZ       LYS  26   4.398   3.124  -7.944
  232   3HZ   LYS  26          2HZ       LYS  26   3.218   4.008  -8.670
  233    QB   LYS  26           QB       LYS  26   2.879   1.908  -3.141
  234    QG   LYS  26           QG       LYS  26   1.496   1.413  -5.157
  235    QD   LYS  26           QD       LYS  26   3.587   2.775  -5.352
  236    QE   LYS  26           QE       LYS  26   1.984   2.809  -7.275
  237    QZ   LYS  26           QZ       LYS  26   3.830   3.887  -7.958
  238    H    LYS  27           HN       LYS  27   0.603  -1.215  -4.420
  239    HA   LYS  27           HA       LYS  27   2.979  -2.937  -4.862
  240   1HB   LYS  27          2HB       LYS  27   1.651  -4.185  -3.313
  241   2HB   LYS  27          3HB       LYS  27   0.160  -3.856  -4.196
  242   1HG   LYS  27          2HG       LYS  27   1.129  -5.182  -6.148
  243   2HG   LYS  27          3HG       LYS  27   2.530  -5.507  -5.122
  244   1HD   LYS  27          2HD       LYS  27   1.366  -7.399  -4.501
  245   2HD   LYS  27          3HD       LYS  27   0.494  -6.291  -3.441
  246   1HE   LYS  27          2HE       LYS  27  -1.188  -7.511  -4.556
  247   2HE   LYS  27          3HE       LYS  27  -1.149  -5.936  -5.359
  248   1HZ   LYS  27          2HZ       LYS  27   0.150  -6.927  -7.107
  249   2HZ   LYS  27          3HZ       LYS  27   0.074  -8.409  -6.382
  250   3HZ   LYS  27          1HZ       LYS  27  -1.294  -7.670  -6.920
  251    QB   LYS  27           QB       LYS  27   0.906  -4.021  -3.755
  252    QG   LYS  27           QG       LYS  27   1.830  -5.345  -5.635
  253    QD   LYS  27           QD       LYS  27   0.930  -6.845  -3.971
  254    QE   LYS  27           QE       LYS  27  -1.168  -6.724  -4.957
  255    QZ   LYS  27           QZ       LYS  27  -0.357  -7.669  -6.803
  256    OH   TYR  28           OH       TYR  28   7.921  -0.297  -6.684
  257    H    TYR  28           HN       TYR  28   3.283  -3.297  -7.130
  258    HA   TYR  28           HA       TYR  28   1.115  -2.447  -8.938
  259   1HB   TYR  28          2HB       TYR  28   2.793  -0.948  -9.998
  260   2HB   TYR  28          3HB       TYR  28   2.052  -0.386  -8.507
  261    HD1  TYR  28           HD2      TYR  28   3.422  -0.570  -6.327
  262    HD2  TYR  28           HD1      TYR  28   5.185  -1.080 -10.226
  263    HE1  TYR  28           HE2      TYR  28   5.626  -0.039  -5.386
  264    HE2  TYR  28           HE1      TYR  28   7.421  -0.619  -9.253
  265    HH   TYR  28           HH       TYR  28   7.930  -0.492  -5.736
  266    QB   TYR  28           QB       TYR  28   2.423  -0.667  -9.253
  267    QR   TYR  28           QR       TYR  28   5.414  -0.577  -7.798
  268    CH2  TRP  29           CH2      TRP  29  -2.382  -6.293  -8.438
  269    H    TRP  29           HN       TRP  29   1.122  -3.492 -10.858
  270    HA   TRP  29           HA       TRP  29   3.540  -4.593 -12.005
  271   1HB   TRP  29          2HB       TRP  29   2.871  -6.835 -11.976
  272   2HB   TRP  29          3HB       TRP  29   2.888  -6.299 -10.313
  273    HD1  TRP  29           HD1      TRP  29   0.955  -8.288 -12.615
  274    HE1  TRP  29           HE1      TRP  29  -1.361  -8.835 -11.746
  275    HE3  TRP  29           HE3      TRP  29   0.651  -4.817  -8.831
  276    HZ2  TRP  29           HZ2      TRP  29  -3.094  -7.989  -9.574
  277    HZ3  TRP  29           HZ3      TRP  29  -1.440  -4.546  -7.586
  278    HH2  TRP  29           HH2      TRP  29  -3.274  -6.213  -7.831
  279    QB   TRP  29           QB       TRP  29   2.880  -6.567 -11.145
  280    NH1  ARG  30           NH2      ARG  30   3.852  -0.494 -15.184
  281    NH2  ARG  30           NH1      ARG  30   3.708   0.591 -17.225
  282    H    ARG  30           HN       ARG  30   2.720  -5.986 -14.037
  283    HA   ARG  30           HA       ARG  30   0.885  -4.191 -15.509
  284   1HB   ARG  30          2HB       ARG  30   3.217  -5.804 -16.262
  285   2HB   ARG  30          3HB       ARG  30   1.856  -6.029 -17.330
  286   1HG   ARG  30          2HG       ARG  30   3.178  -4.244 -18.210
  287   2HG   ARG  30          3HG       ARG  30   1.613  -3.621 -17.668
  288   1HD   ARG  30          2HD       ARG  30   2.751  -2.931 -15.504
  289   2HD   ARG  30          3HD       ARG  30   4.301  -3.368 -16.241
  290    HE   ARG  30           HE       ARG  30   3.159  -1.701 -18.100
  291   1HH1  ARG  30          2HH2      ARG  30   3.632  -1.311 -14.634
  292   2HH1  ARG  30          1HH2      ARG  30   4.089   0.359 -14.702
  293   1HH2  ARG  30          2HH1      ARG  30   3.542   0.572 -18.221
  294   2HH2  ARG  30          1HH1      ARG  30   3.927   1.476 -16.794
  295    QB   ARG  30           QB       ARG  30   2.537  -5.916 -16.796
  296    QG   ARG  30           QG       ARG  30   2.395  -3.932 -17.939
  297    QD   ARG  30           QD       ARG  30   3.526  -3.150 -15.873
  298    QH1  ARG  30           QH2      ARG  30   3.861  -0.476 -14.668
  299    QH2  ARG  30           QH1      ARG  30   3.734   1.024 -17.507
  300    H    ASP  31           HN       ASP  31  -0.573  -5.052 -16.966
  301    HA   ASP  31           HA       ASP  31  -1.476  -7.861 -16.583
  302   1HB   ASP  31          2HB       ASP  31  -3.223  -6.325 -15.715
  303   2HB   ASP  31          3HB       ASP  31  -3.295  -5.509 -17.286
  304    QB   ASP  31           QB       ASP  31  -3.259  -5.917 -16.500
  305    H    HIS  32           HN       HIS  32  -3.155  -6.912 -19.171
  306    HA   HIS  32           HA       HIS  32  -0.969  -7.583 -21.068
  307   1HB   HIS  32          2HB       HIS  32  -3.999  -7.498 -21.319
  308   2HB   HIS  32          3HB       HIS  32  -2.881  -7.838 -22.649
  309    HD1  HIS  32           HD1      HIS  32  -2.671 -10.379 -23.046
  310    HD2  HIS  32           HD2      HIS  32  -3.492  -9.351 -19.034
  311    HE1  HIS  32           HE1      HIS  32  -2.979 -12.581 -21.753
  312    HE2  HIS  32           HE2      HIS  32  -3.464 -11.915 -19.310
  313    QB   HIS  32           QB       HIS  32  -3.440  -7.668 -21.984
  314    NH1  ARG  33           NH2      ARG  33  -4.331  -5.927 -27.202
  315    NH2  ARG  33           NH1      ARG  33  -3.038  -5.037 -28.907
  316    H    ARG  33           HN       ARG  33  -3.802  -5.392 -21.422
  317    HA   ARG  33           HA       ARG  33  -1.956  -3.196 -22.319
  318   1HB   ARG  33          2HB       ARG  33  -4.868  -3.725 -23.042
  319   2HB   ARG  33          3HB       ARG  33  -3.977  -2.236 -23.385
  320   1HG   ARG  33          2HG       ARG  33  -2.298  -3.539 -24.687
  321   2HG   ARG  33          3HG       ARG  33  -3.299  -4.989 -24.487
  322   1HD   ARG  33          2HD       ARG  33  -5.180  -3.856 -25.679
  323   2HD   ARG  33          3HD       ARG  33  -4.273  -2.355 -25.699
  324    HE   ARG  33           HE       ARG  33  -2.996  -3.000 -27.446
  325   1HH1  ARG  33          2HH2      ARG  33  -4.762  -5.816 -26.296
  326   2HH1  ARG  33          1HH2      ARG  33  -4.445  -6.800 -27.694
  327   1HH2  ARG  33          2HH1      ARG  33  -2.513  -4.271 -29.306
  328   2HH2  ARG  33          1HH1      ARG  33  -3.100  -5.895 -29.436
  329    QB   ARG  33           QB       ARG  33  -4.422  -2.981 -23.214
  330    QG   ARG  33           QG       ARG  33  -2.799  -4.264 -24.587
  331    QD   ARG  33           QD       ARG  33  -4.726  -3.106 -25.689
  332    QH1  ARG  33           QH2      ARG  33  -4.604  -6.308 -26.995
  333    QH2  ARG  33           QH1      ARG  33  -2.807  -5.083 -29.371
  334    H    GLY  34           HN       GLY  34  -1.902  -3.546 -19.672
  335   1HA   GLY  34          1HA       GLY  34  -3.030  -1.114 -18.679
  336   2HA   GLY  34          2HA       GLY  34  -3.959  -2.516 -18.096
  337    QA   GLY  34           QA       GLY  34  -3.495  -1.815 -18.388
  338    H    THR  35           HN       THR  35  -2.594  -0.923 -16.283
  339    HA   THR  35           HA       THR  35  -0.697  -2.899 -15.232
  340    HB   THR  35           HB       THR  35   0.204  -0.571 -16.076
  341    HG1  THR  35          1HG       THR  35   0.875  -2.009 -13.756
  342   1HG2  THR  35          2HG2      THR  35  -1.360   0.829 -14.753
  343   2HG2  THR  35          3HG2      THR  35  -0.619   0.217 -13.255
  344   3HG2  THR  35          1HG2      THR  35   0.345   1.162 -14.399
  345    QG2  THR  35           QG2      THR  35  -0.545   0.736 -14.136
  346    H    ILE  36           HN       ILE  36  -1.053  -3.493 -13.136
  347    HA   ILE  36           HA       ILE  36  -3.627  -2.538 -11.980
  348    HB   ILE  36           HB       ILE  36  -2.060  -4.985 -11.220
  349   1HG1  ILE  36          2HG1      ILE  36  -2.624  -5.342 -13.530
  350   2HG1  ILE  36          3HG1      ILE  36  -3.656  -6.328 -12.507
  351   1HG2  ILE  36          1HG2      ILE  36  -4.928  -4.036 -10.719
  352   2HG2  ILE  36          2HG2      ILE  36  -4.316  -5.634 -10.283
  353   3HG2  ILE  36          3HG2      ILE  36  -3.635  -4.175  -9.528
  354   1HD1  ILE  36          3HD1      ILE  36  -4.502  -3.691 -13.804
  355   2HD1  ILE  36          1HD1      ILE  36  -4.923  -5.314 -14.364
  356   3HD1  ILE  36          2HD1      ILE  36  -5.533  -4.744 -12.807
  357    QG1  ILE  36           QG1      ILE  36  -3.140  -5.835 -13.018
  358    QG2  ILE  36           QG2      ILE  36  -4.293  -4.615 -10.177
  359    QD1  ILE  36           QD1      ILE  36  -4.986  -4.583 -13.658
  360    H    ILE  37           HN       ILE  37  -3.336  -0.954 -10.596
  361    HA   ILE  37           HA       ILE  37  -0.990  -0.760  -8.799
  362    HB   ILE  37           HB       ILE  37  -3.414   1.049  -9.331
  363   1HG1  ILE  37          2HG1      ILE  37  -1.954   1.036 -11.289
  364   2HG1  ILE  37          3HG1      ILE  37  -1.987   2.587 -10.463
  365   1HG2  ILE  37          2HG2      ILE  37  -0.957   1.463  -7.570
  366   2HG2  ILE  37          3HG2      ILE  37  -2.106   2.743  -8.024
  367   3HG2  ILE  37          1HG2      ILE  37  -2.651   1.366  -7.059
  368   1HD1  ILE  37          1HD1      ILE  37   0.254   2.064  -9.459
  369   2HD1  ILE  37          2HD1      ILE  37   0.272   0.541 -10.390
  370   3HD1  ILE  37          3HD1      ILE  37   0.244   2.102 -11.228
  371    QG1  ILE  37           QG1      ILE  37  -1.970   1.811 -10.876
  372    QG2  ILE  37           QG2      ILE  37  -1.905   1.857  -7.551
  373    QD1  ILE  37           QD1      ILE  37   0.257   1.569 -10.359
  374    H    GLU  38           HN       GLU  38  -1.295  -1.684  -6.818
  375    HA   GLU  38           HA       GLU  38  -4.003  -1.793  -5.605
  376   1HB   GLU  38          2HB       GLU  38  -3.272  -4.119  -5.973
  377   2HB   GLU  38          3HB       GLU  38  -1.701  -3.731  -5.268
  378   1HG   GLU  38          2HG       GLU  38  -2.913  -3.255  -3.059
  379   2HG   GLU  38          3HG       GLU  38  -4.390  -3.854  -3.838
  380    QB   GLU  38           QB       GLU  38  -2.487  -3.925  -5.621
  381    QG   GLU  38           QG       GLU  38  -3.652  -3.555  -3.449
  382    NH1  ARG  39           NH2      ARG  39  -1.054   4.919  -5.852
  383    NH2  ARG  39           NH1      ARG  39   1.023   4.960  -4.886
  384    H    ARG  39           HN       ARG  39  -3.856  -1.247  -3.306
  385    HA   ARG  39           HA       ARG  39  -1.441   0.055  -2.343
  386   1HB   ARG  39          2HB       ARG  39  -2.513   1.578  -4.059
  387   2HB   ARG  39          3HB       ARG  39  -3.958   1.644  -3.028
  388   1HG   ARG  39          2HG       ARG  39  -2.923   2.987  -1.496
  389   2HG   ARG  39          3HG       ARG  39  -1.284   2.391  -1.872
  390   1HD   ARG  39          2HD       ARG  39  -2.820   3.815  -4.016
  391   2HD   ARG  39          3HD       ARG  39  -2.149   4.780  -2.689
  392    HE   ARG  39           HE       ARG  39   0.000   3.812  -3.066
  393   1HH1  ARG  39          1HH2      ARG  39  -1.944   4.477  -6.013
  394   2HH1  ARG  39          2HH2      ARG  39  -0.908   5.904  -6.094
  395   1HH2  ARG  39          2HH1      ARG  39   1.483   4.915  -3.974
  396   2HH2  ARG  39          1HH1      ARG  39   1.159   5.904  -5.258
  397    QB   ARG  39           QB       ARG  39  -3.235   1.611  -3.544
  398    QG   ARG  39           QG       ARG  39  -2.104   2.689  -1.684
  399    QD   ARG  39           QD       ARG  39  -2.484   4.298  -3.353
  400    QH1  ARG  39           QH2      ARG  39  -1.426   5.190  -6.054
  401    QH2  ARG  39           QH1      ARG  39   1.321   5.410  -4.616
  402    H    GLY  40           HN       GLY  40  -1.611   0.230  -0.041
  403   1HA   GLY  40          1HA       GLY  40  -4.160   0.045   1.291
  404   2HA   GLY  40          2HA       GLY  40  -3.405  -1.553   1.139
  405    QA   GLY  40           QA       GLY  40  -3.782  -0.754   1.215
  406    H    CYS  41           HN       CYS  41  -3.431  -1.538   3.419
  407    HA   CYS  41           HA       CYS  41  -1.816   0.450   4.900
  408   1HB   CYS  41          2HB       CYS  41  -3.826   0.475   5.744
  409   2HB   CYS  41          3HB       CYS  41  -4.238  -1.241   5.430
  410    QB   CYS  41           QB       CYS  41  -4.032  -0.383   5.587
  411    H    GLY  42           HN       GLY  42  -0.681  -0.192   6.718
  412   1HA   GLY  42          1HA       GLY  42   0.936  -1.497   7.808
  413   2HA   GLY  42          2HA       GLY  42   0.152  -2.927   7.105
  414    QA   GLY  42           QA       GLY  42   0.544  -2.212   7.456
  415    H    CYS  43           HN       CYS  43   2.407  -3.716   6.923
  416    HA   CYS  43           HA       CYS  43   3.433  -3.004   4.209
  417   1HB   CYS  43          2HB       CYS  43   4.924  -1.860   5.748
  418   2HB   CYS  43          3HB       CYS  43   5.231  -3.383   6.605
  419    QB   CYS  43           QB       CYS  43   5.078  -2.622   6.177
  420    HA   PRO  44           HA       PRO  44   2.997  -7.551   4.631
  421   1HB   PRO  44          2HB       PRO  44   1.315  -8.074   2.563
  422   2HB   PRO  44          3HB       PRO  44   0.713  -7.369   4.095
  423   1HG   PRO  44          2HG       PRO  44   1.477  -5.866   1.566
  424   2HG   PRO  44          3HG       PRO  44  -0.064  -5.758   2.468
  425   1HD   PRO  44          2HD       PRO  44   1.998  -4.011   2.869
  426   2HD   PRO  44          3HD       PRO  44   0.955  -4.537   4.225
  427    QB   PRO  44           QB       PRO  44   1.014  -7.722   3.329
  428    QG   PRO  44           QG       PRO  44   0.706  -5.812   2.017
  429    QD   PRO  44           QD       PRO  44   1.477  -4.274   3.547
  430    H    LYS  45           HN       LYS  45   3.646  -9.217   2.969
  431    HA   LYS  45           HA       LYS  45   5.707  -8.213   1.084
  432   1HB   LYS  45          2HB       LYS  45   6.407  -9.903   2.602
  433   2HB   LYS  45          3HB       LYS  45   5.047 -10.967   2.185
  434   1HG   LYS  45          2HG       LYS  45   5.996 -11.385  -0.007
  435   2HG   LYS  45          3HG       LYS  45   7.265 -10.151   0.269
  436   1HD   LYS  45          2HD       LYS  45   8.236 -11.522   2.055
  437   2HD   LYS  45          3HD       LYS  45   6.868 -12.634   1.999
  438   1HE   LYS  45          2HE       LYS  45   8.838 -13.597   0.887
  439   2HE   LYS  45          3HE       LYS  45   7.467 -13.430  -0.220
  440   1HZ   LYS  45          2HZ       LYS  45   9.711 -11.524  -0.073
  441   2HZ   LYS  45          3HZ       LYS  45   9.582 -12.738  -1.173
  442   3HZ   LYS  45          1HZ       LYS  45   8.479 -11.523  -1.176
  443    QB   LYS  45           QB       LYS  45   5.727 -10.435   2.393
  444    QG   LYS  45           QG       LYS  45   6.631 -10.768   0.131
  445    QD   LYS  45           QD       LYS  45   7.552 -12.078   2.027
  446    QE   LYS  45           QE       LYS  45   8.153 -13.514   0.333
  447    QZ   LYS  45           QZ       LYS  45   9.257 -11.928  -0.807
  448    H    VAL  46           HN       VAL  46   5.783  -9.292  -1.019
  449    HA   VAL  46           HA       VAL  46   3.130  -9.963  -2.200
  450    HB   VAL  46           HB       VAL  46   3.665  -8.614  -4.159
  451   1HG1  VAL  46          1HG1      VAL  46   2.359  -7.594  -2.311
  452   2HG1  VAL  46          2HG1      VAL  46   3.847  -6.966  -1.590
  453   3HG1  VAL  46          3HG1      VAL  46   3.337  -6.385  -3.174
  454   1HG2  VAL  46          3HG2      VAL  46   6.201  -8.679  -3.925
  455   2HG2  VAL  46          1HG2      VAL  46   5.506  -7.110  -4.309
  456   3HG2  VAL  46          2HG2      VAL  46   6.047  -7.463  -2.650
  457    QG1  VAL  46           QG1      VAL  46   3.181  -6.981  -2.358
  458    QG2  VAL  46           QG2      VAL  46   5.918  -7.751  -3.628
  459    QQG  VAL  46           QQG      VAL  46   4.550  -7.366  -2.993
  460    H    LYS  47           HN       LYS  47   3.389 -10.913  -4.392
  461    HA   LYS  47           HA       LYS  47   5.276 -13.103  -4.460
  462   1HB   LYS  47          2HB       LYS  47   3.076 -12.029  -6.174
  463   2HB   LYS  47          3HB       LYS  47   4.244 -12.897  -7.039
  464   1HG   LYS  47          2HG       LYS  47   3.949 -14.810  -5.333
  465   2HG   LYS  47          3HG       LYS  47   2.530 -13.914  -4.743
  466   1HD   LYS  47          2HD       LYS  47   1.520 -14.044  -7.034
  467   2HD   LYS  47          3HD       LYS  47   3.012 -14.745  -7.653
  468   1HE   LYS  47          2HE       LYS  47   1.517 -16.559  -7.449
  469   2HE   LYS  47          3HE       LYS  47   2.714 -16.740  -6.164
  470   1HZ   LYS  47          2HZ       LYS  47   1.070 -15.814  -4.631
  471   2HZ   LYS  47          3HZ       LYS  47  -0.030 -15.689  -5.852
  472   3HZ   LYS  47          1HZ       LYS  47   0.506 -17.163  -5.376
  473    QB   LYS  47           QB       LYS  47   3.660 -12.463  -6.606
  474    QG   LYS  47           QG       LYS  47   3.240 -14.362  -5.038
  475    QD   LYS  47           QD       LYS  47   2.266 -14.395  -7.344
  476    QE   LYS  47           QE       LYS  47   2.115 -16.649  -6.806
  477    QZ   LYS  47           QZ       LYS  47   0.515 -16.222  -5.286
  478    HA   PRO  48           HA       PRO  48   8.448 -11.045  -6.843
  479   1HB   PRO  48          2HB       PRO  48   9.483 -13.001  -8.414
  480   2HB   PRO  48          3HB       PRO  48   9.559 -13.087  -6.631
  481   1HG   PRO  48          2HG       PRO  48   7.648 -14.505  -8.478
  482   2HG   PRO  48          3HG       PRO  48   8.473 -15.147  -7.030
  483   1HD   PRO  48          2HD       PRO  48   5.864 -14.124  -7.169
  484   2HD   PRO  48          3HD       PRO  48   6.738 -14.290  -5.644
  485    QB   PRO  48           QB       PRO  48   9.521 -13.044  -7.522
  486    QG   PRO  48           QG       PRO  48   8.061 -14.826  -7.754
  487    QD   PRO  48           QD       PRO  48   6.301 -14.207  -6.406
  488    H    GLY  49           HN       GLY  49   9.071 -10.461  -9.166
  489   1HA   GLY  49          1HA       GLY  49   8.458  -9.437 -11.105
  490   2HA   GLY  49          2HA       GLY  49   7.343 -10.787 -11.357
  491    QA   GLY  49           QA       GLY  49   7.900 -10.112 -11.231
  492    H    VAL  50           HN       VAL  50   7.143  -8.671  -8.538
  493    HA   VAL  50           HA       VAL  50   4.954  -7.021  -9.634
  494    HB   VAL  50           HB       VAL  50   4.843  -8.772  -7.133
  495   1HG1  VAL  50          2HG1      VAL  50   2.903  -6.591  -7.992
  496   2HG1  VAL  50          3HG1      VAL  50   2.647  -7.759  -6.676
  497   3HG1  VAL  50          1HG1      VAL  50   3.957  -6.584  -6.561
  498   1HG2  VAL  50          1HG2      VAL  50   4.142  -9.954  -9.208
  499   2HG2  VAL  50          2HG2      VAL  50   2.796  -9.710  -8.096
  500   3HG2  VAL  50          3HG2      VAL  50   2.961  -8.670  -9.528
  501    QG1  VAL  50           QG1      VAL  50   3.169  -6.978  -7.076
  502    QG2  VAL  50           QG2      VAL  50   3.300  -9.444  -8.944
  503    QQG  VAL  50           QQG      VAL  50   3.234  -8.211  -8.010
  504    H    GLY  51           HN       GLY  51   5.499  -4.890  -9.075
  505   1HA   GLY  51          1HA       GLY  51   7.726  -4.493  -7.345
  506   2HA   GLY  51          2HA       GLY  51   6.866  -3.218  -8.166
  507    QA   GLY  51           QA       GLY  51   7.296  -3.855  -7.756
  508    H    ILE  52           HN       ILE  52   7.554  -2.899  -5.641
  509    HA   ILE  52           HA       ILE  52   5.064  -2.761  -4.100
  510    HB   ILE  52           HB       ILE  52   5.909  -5.006  -3.748
  511   1HG1  ILE  52          2HG1      ILE  52   4.756  -3.650  -1.890
  512   2HG1  ILE  52          3HG1      ILE  52   5.449  -5.240  -1.587
  513   1HG2  ILE  52          3HG2      ILE  52   8.297  -4.715  -4.103
  514   2HG2  ILE  52          1HG2      ILE  52   8.444  -3.800  -2.593
  515   3HG2  ILE  52          2HG2      ILE  52   7.981  -5.516  -2.563
  516   1HD1  ILE  52          2HD1      ILE  52   6.857  -2.672  -0.786
  517   2HD1  ILE  52          3HD1      ILE  52   5.872  -3.717   0.248
  518   3HD1  ILE  52          1HD1      ILE  52   7.368  -4.336  -0.455
  519    QG1  ILE  52           QG1      ILE  52   5.102  -4.445  -1.739
  520    QG2  ILE  52           QG2      ILE  52   8.241  -4.677  -3.087
  521    QD1  ILE  52           QD1      ILE  52   6.699  -3.575  -0.331
  522    H    HIS  53           HN       HIS  53   5.259  -1.263  -2.316
  523    HA   HIS  53           HA       HIS  53   7.878  -0.285  -1.565
  524   1HB   HIS  53          2HB       HIS  53   7.244   1.124  -3.587
  525   2HB   HIS  53          3HB       HIS  53   5.923   1.794  -2.630
  526    HD1  HIS  53           HD1      HIS  53   7.723   2.352   0.106
  527    HD2  HIS  53           HD2      HIS  53   8.692   3.222  -3.927
  528    HE1  HIS  53           HE1      HIS  53   9.410   4.242   0.155
  529    HE2  HIS  53           HE2      HIS  53  10.007   4.778  -2.289
  530    QB   HIS  53           QB       HIS  53   6.583   1.459  -3.109
  531    H    CYS  54           HN       CYS  54   7.706  -0.118   0.616
  532    HA   CYS  54           HA       CYS  54   5.054   0.435   1.895
  533   1HB   CYS  54          2HB       CYS  54   7.588  -0.782   3.045
  534   2HB   CYS  54          3HB       CYS  54   6.154  -0.321   3.971
  535    QB   CYS  54           QB       CYS  54   6.871  -0.552   3.508
  536    H    CYS  55           HN       CYS  55   5.072   2.058   3.682
  537    HA   CYS  55           HA       CYS  55   7.446   3.554   4.282
  538   1HB   CYS  55          2HB       CYS  55   6.466   5.729   3.524
  539   2HB   CYS  55          3HB       CYS  55   7.034   4.684   2.238
  540    QB   CYS  55           QB       CYS  55   6.750   5.206   2.881
  541    H    GLN  56           HN       GLN  56   6.701   5.476   5.745
  542    HA   GLN  56           HA       GLN  56   4.833   4.225   7.725
  543   1HB   GLN  56          2HB       GLN  56   6.499   4.693   9.430
  544   2HB   GLN  56          3HB       GLN  56   7.087   3.567   8.208
  545   1HG   GLN  56          2HG       GLN  56   8.456   5.267   7.159
  546   2HG   GLN  56          3HG       GLN  56   7.755   6.541   8.176
  547   1HE2  GLN  56          2HE2      GLN  56  11.002   5.767   9.720
  548   2HE2  GLN  56          1HE2      GLN  56  10.426   6.529   8.250
  549    QB   GLN  56           QB       GLN  56   6.793   4.130   8.819
  550    QG   GLN  56           QG       GLN  56   8.106   5.904   7.667
  551    QE2  GLN  56           QE2      GLN  56  10.714   6.148   8.985
  552    H    SER  57           HN       SER  57   3.996   6.418   6.098
  553    HA   SER  57           HA       SER  57   3.322   8.288   8.295
  554   1HB   SER  57          2HB       SER  57   3.515   9.969   6.103
  555   2HB   SER  57          3HB       SER  57   4.660   9.854   7.450
  556    HG   SER  57           HG       SER  57   5.692   9.650   5.416
  557    QB   SER  57           QB       SER  57   4.087   9.911   6.776
  558    H    ASP  58           HN       ASP  58   1.260   9.272   8.066
  559    HA   ASP  58           HA       ASP  58  -0.768   7.698   6.894
  560   1HB   ASP  58          2HB       ASP  58  -0.638  10.592   7.795
  561   2HB   ASP  58          3HB       ASP  58  -2.075   9.947   7.002
  562    QB   ASP  58           QB       ASP  58  -1.357  10.269   7.398
  563    H    LYS  59           HN       LYS  59  -1.564   7.439   5.029
  564    HA   LYS  59           HA       LYS  59  -1.854   7.519   2.761
  565   1HB   LYS  59          2HB       LYS  59  -1.556  10.508   3.200
  566   2HB   LYS  59          3HB       LYS  59  -2.364   9.725   1.861
  567   1HG   LYS  59          2HG       LYS  59  -4.121   8.852   3.274
  568   2HG   LYS  59          3HG       LYS  59  -3.245   9.304   4.738
  569   1HD   LYS  59          2HD       LYS  59  -3.349  11.758   3.795
  570   2HD   LYS  59          3HD       LYS  59  -4.592  11.123   2.722
  571   1HE   LYS  59          2HE       LYS  59  -5.616  12.145   4.680
  572   2HE   LYS  59          3HE       LYS  59  -5.928  10.406   4.712
  573   1HZ   LYS  59          3HZ       LYS  59  -3.786  11.762   6.241
  574   2HZ   LYS  59          1HZ       LYS  59  -5.245  11.344   6.863
  575   3HZ   LYS  59          2HZ       LYS  59  -4.204  10.180   6.376
  576    QB   LYS  59           QB       LYS  59  -1.960  10.117   2.530
  577    QG   LYS  59           QG       LYS  59  -3.683   9.078   4.006
  578    QD   LYS  59           QD       LYS  59  -3.971  11.440   3.259
  579    QE   LYS  59           QE       LYS  59  -5.772  11.275   4.696
  580    QZ   LYS  59           QZ       LYS  59  -4.412  11.095   6.493
  581    H    CYS  60           HN       CYS  60   1.154   7.860   3.903
  582    HA   CYS  60           HA       CYS  60   2.702   9.138   1.945
  583   1HB   CYS  60          2HB       CYS  60   4.537   7.840   2.793
  584   2HB   CYS  60          3HB       CYS  60   3.453   8.203   4.133
  585    QB   CYS  60           QB       CYS  60   3.995   8.022   3.463
  586    H    ASN  61           HN       ASN  61   0.989   6.082   1.857
  587    HA   ASN  61           HA       ASN  61   2.521   4.982  -0.232
  588   1HB   ASN  61          2HB       ASN  61   0.910   3.246  -0.404
  589   2HB   ASN  61          3HB       ASN  61   1.209   3.583   1.294
  590   1HD2  ASN  61          2HD2      ASN  61  -2.463   2.979   0.655
  591   2HD2  ASN  61          1HD2      ASN  61  -0.960   2.091   0.574
  592    QB   ASN  61           QB       ASN  61   1.059   3.415   0.445
  593    QD2  ASN  61           QD2      ASN  61  -1.711   2.535   0.615
  594    OH   TYR  62           OH       TYR  62  -2.397  12.451  -6.428
  595    H    TYR  62           HN       TYR  62   0.532   7.519  -0.573
  596    HA   TYR  62           HA       TYR  62  -1.214   6.989  -2.606
  597   1HB   TYR  62          2HB       TYR  62  -1.423   9.032  -1.404
  598   2HB   TYR  62          3HB       TYR  62   0.213   9.511  -1.734
  599    HD1  TYR  62           HD1      TYR  62   0.891  10.542  -3.910
  600    HD2  TYR  62           HD2      TYR  62  -3.198   9.865  -2.793
  601    HE1  TYR  62           HE1      TYR  62   0.140  12.076  -5.701
  602    HE2  TYR  62           HE2      TYR  62  -3.961  11.303  -4.659
  603    HH   TYR  62           HH       TYR  62  -1.688  12.751  -7.002
  604    QB   TYR  62           QB       TYR  62  -0.605   9.272  -1.569
  605    QR   TYR  62           QR       TYR  62  -1.532  10.946  -4.266
   
  Start of MODEL           5
 Raw file had 605 H/Q atoms
  Start of MODEL    5
    1    NH1  ARG   1           NH2      ARG   1   2.849   7.914  10.963
    2    NH2  ARG   1           NH1      ARG   1   3.724   5.872  10.334
    3    H    ARG   1           HN       ARG   1  -4.629   5.130  12.507
    4    HA   ARG   1           HA       ARG   1  -3.219   6.835  11.417
    5   1HB   ARG   1          2HB       ARG   1  -1.941   4.293  10.372
    6   2HB   ARG   1          3HB       ARG   1  -1.891   5.736   9.392
    7   1HG   ARG   1          2HG       ARG   1  -1.192   6.485  12.129
    8   2HG   ARG   1          3HG       ARG   1  -0.287   5.051  11.692
    9   1HD   ARG   1          2HD       ARG   1  -0.225   7.046   9.498
   10   2HD   ARG   1          3HD       ARG   1   0.228   7.768  11.019
   11    HE   ARG   1           HE       ARG   1   1.399   5.182  10.027
   12   1HH1  ARG   1          2HH2      ARG   1   2.053   8.498  11.165
   13   2HH1  ARG   1          1HH2      ARG   1   3.779   8.282  11.103
   14   1HH2  ARG   1          2HH1      ARG   1   3.585   4.868  10.181
   15   2HH2  ARG   1          1HH1      ARG   1   4.636   6.277  10.121
   16    QB   ARG   1           QB       ARG   1  -1.916   5.015   9.882
   17    QG   ARG   1           QG       ARG   1  -0.739   5.768  11.911
   18    QD   ARG   1           QD       ARG   1   0.002   7.407  10.258
   19    QH1  ARG   1           QH2      ARG   1   2.916   8.390  11.134
   20    QH2  ARG   1           QH1      ARG   1   4.111   5.572  10.151
   21    H    ILE   2           HN       ILE   2  -3.361   7.216   8.855
   22    HA   ILE   2           HA       ILE   2  -5.845   6.066   7.774
   23    HB   ILE   2           HB       ILE   2  -5.044   9.007   8.013
   24   1HG1  ILE   2          2HG1      ILE   2  -7.679   8.959   8.619
   25   2HG1  ILE   2          3HG1      ILE   2  -7.272   7.327   9.131
   26   1HG2  ILE   2          2HG2      ILE   2  -7.214   7.827   6.230
   27   2HG2  ILE   2          3HG2      ILE   2  -6.934   9.554   6.527
   28   3HG2  ILE   2          1HG2      ILE   2  -5.719   8.618   5.678
   29   1HD1  ILE   2          1HD1      ILE   2  -5.933   9.913  10.062
   30   2HD1  ILE   2          2HD1      ILE   2  -7.129   8.962  10.970
   31   3HD1  ILE   2          3HD1      ILE   2  -5.521   8.291  10.655
   32    QG1  ILE   2           QG1      ILE   2  -7.475   8.143   8.875
   33    QG2  ILE   2           QG2      ILE   2  -6.622   8.666   6.145
   34    QD1  ILE   2           QD1      ILE   2  -6.194   9.055  10.562
   35    H    CYS   3           HN       CYS   3  -5.688   5.890   5.460
   36    HA   CYS   3           HA       CYS   3  -3.293   6.818   4.067
   37   1HB   CYS   3          2HB       CYS   3  -3.573   3.975   4.995
   38   2HB   CYS   3          3HB       CYS   3  -2.923   4.220   3.393
   39    QB   CYS   3           QB       CYS   3  -3.248   4.097   4.194
   40    OH   TYR   4           OH       TYR   4  -3.973  11.886   0.010
   41    H    TYR   4           HN       TYR   4  -3.366   5.745   1.729
   42    HA   TYR   4           HA       TYR   4  -6.201   5.875   0.902
   43   1HB   TYR   4          2HB       TYR   4  -3.942   5.842  -1.109
   44   2HB   TYR   4          3HB       TYR   4  -5.637   6.123  -1.184
   45    HD1  TYR   4           HD1      TYR   4  -2.509   7.584   0.236
   46    HD2  TYR   4           HD2      TYR   4  -6.606   8.317  -0.884
   47    HE1  TYR   4           HE1      TYR   4  -2.139  10.027   0.348
   48    HE2  TYR   4           HE2      TYR   4  -6.262  10.727  -0.640
   49    HH   TYR   4           HH       TYR   4  -4.688  12.400  -0.370
   50    QB   TYR   4           QB       TYR   4  -4.790   5.983  -1.147
   51    QR   TYR   4           QR       TYR   4  -4.379   9.164  -0.235
   52    H    ASN   5           HN       ASN   5  -7.209   4.248  -0.236
   53    HA   ASN   5           HA       ASN   5  -5.837   1.576  -0.224
   54   1HB   ASN   5          2HB       ASN   5  -7.871   0.576   0.545
   55   2HB   ASN   5          3HB       ASN   5  -7.409   1.830   1.698
   56   1HD2  ASN   5          2HD2      ASN   5 -11.118   1.940   0.446
   57   2HD2  ASN   5          1HD2      ASN   5 -10.095   0.537   0.700
   58    QB   ASN   5           QB       ASN   5  -7.640   1.203   1.122
   59    QD2  ASN   5           QD2      ASN   5 -10.607   1.238   0.573
   60    H    HIS   6           HN       HIS   6  -6.718   3.920  -2.187
   61    HA   HIS   6           HA       HIS   6  -8.526   2.666  -3.995
   62   1HB   HIS   6          2HB       HIS   6  -7.809   4.562  -5.480
   63   2HB   HIS   6          3HB       HIS   6  -8.503   4.929  -3.910
   64    HD1  HIS   6           HD1      HIS   6  -7.227   6.884  -2.656
   65    HD2  HIS   6           HD2      HIS   6  -4.865   4.671  -5.307
   66    HE1  HIS   6           HE1      HIS   6  -4.973   8.211  -3.067
   67    HE2  HIS   6           HE2      HIS   6  -3.588   6.799  -4.580
   68    QB   HIS   6           QB       HIS   6  -8.156   4.746  -4.695
   69    H    GLN   7           HN       GLN   7  -8.137   1.898  -6.123
   70    HA   GLN   7           HA       GLN   7  -5.535   0.506  -6.488
   71   1HB   GLN   7          2HB       GLN   7  -8.207  -0.549  -6.151
   72   2HB   GLN   7          3HB       GLN   7  -7.719  -0.863  -7.806
   73   1HG   GLN   7          2HG       GLN   7  -5.713  -2.055  -7.018
   74   2HG   GLN   7          3HG       GLN   7  -6.155  -1.700  -5.329
   75   1HE2  GLN   7          2HE2      GLN   7  -7.416  -5.144  -6.234
   76   2HE2  GLN   7          1HE2      GLN   7  -5.806  -4.520  -6.165
   77    QB   GLN   7           QB       GLN   7  -7.963  -0.706  -6.979
   78    QG   GLN   7           QG       GLN   7  -5.934  -1.877  -6.174
   79    QE2  GLN   7           QE2      GLN   7  -6.611  -4.832  -6.200
   80    H    SER   8           HN       SER   8  -5.625  -0.256  -9.040
   81    HA   SER   8           HA       SER   8  -5.577   1.967 -10.722
   82   1HB   SER   8          2HB       SER   8  -6.183  -0.163 -12.413
   83   2HB   SER   8          3HB       SER   8  -4.580   0.327 -11.876
   84    HG   SER   8           HG       SER   8  -6.280  -1.592 -10.646
   85    QB   SER   8           QB       SER   8  -5.381   0.082 -12.145
   86    H    THR   9           HN       THR   9  -7.149   3.137 -11.722
   87    HA   THR   9           HA       THR   9  -9.023   3.715 -12.782
   88    HB   THR   9           HB       THR   9 -10.570   1.204 -12.196
   89    HG1  THR   9          1HG       THR   9  -8.761   0.247 -12.776
   90   1HG2  THR   9          3HG2      THR   9 -11.529   3.058 -13.557
   91   2HG2  THR   9          1HG2      THR   9 -10.184   2.883 -14.709
   92   3HG2  THR   9          2HG2      THR   9 -11.343   1.557 -14.486
   93    QG2  THR   9           QG2      THR   9 -11.019   2.499 -14.251
   94    H    THR  10           HN       THR  10  -9.507   1.950  -9.697
   95    HA   THR  10           HA       THR  10 -11.997   3.182  -9.122
   96    HB   THR  10           HB       THR  10 -11.738   2.277  -6.895
   97    HG1  THR  10          1HG       THR  10  -9.784   0.962  -6.590
   98   1HG2  THR  10          3HG2      THR  10 -12.341   0.794  -8.862
   99   2HG2  THR  10          1HG2      THR  10 -10.635   0.325  -8.994
  100   3HG2  THR  10          2HG2      THR  10 -11.546  -0.086  -7.537
  101    QG2  THR  10           QG2      THR  10 -11.508   0.344  -8.464
  102    NH1  ARG  11           NH2      ARG  11 -14.788  11.035  -8.516
  103    NH2  ARG  11           NH1      ARG  11 -13.642  13.029  -8.222
  104    H    ARG  11           HN       ARG  11 -12.548   4.847  -7.667
  105    HA   ARG  11           HA       ARG  11 -11.014   7.147  -8.220
  106   1HB   ARG  11          2HB       ARG  11 -13.510   7.038  -7.873
  107   2HB   ARG  11          3HB       ARG  11 -13.217   6.824  -6.142
  108   1HG   ARG  11          2HG       ARG  11 -13.830   9.107  -6.626
  109   2HG   ARG  11          3HG       ARG  11 -12.174   9.078  -6.035
  110   1HD   ARG  11          2HD       ARG  11 -11.298   9.359  -8.319
  111   2HD   ARG  11          3HD       ARG  11 -12.895   9.171  -9.022
  112    HE   ARG  11           HE       ARG  11 -11.677  11.523  -7.805
  113   1HH1  ARG  11          2HH2      ARG  11 -14.784  10.026  -8.516
  114   2HH1  ARG  11          1HH2      ARG  11 -15.654  11.517  -8.700
  115   1HH2  ARG  11          2HH1      ARG  11 -12.788  13.535  -8.036
  116   2HH2  ARG  11          1HH1      ARG  11 -14.481  13.562  -8.394
  117    QB   ARG  11           QB       ARG  11 -13.364   6.931  -7.008
  118    QG   ARG  11           QG       ARG  11 -13.002   9.092  -6.330
  119    QD   ARG  11           QD       ARG  11 -12.096   9.265  -8.671
  120    QH1  ARG  11           QH2      ARG  11 -15.219  10.772  -8.608
  121    QH2  ARG  11           QH1      ARG  11 -13.635  13.548  -8.215
  122    H    ALA  12           HN       ALA  12  -9.806   8.565  -6.822
  123    HA   ALA  12           HA       ALA  12  -8.154   7.025  -5.153
  124   1HB   ALA  12          2HB       ALA  12  -8.062   9.986  -5.719
  125   2HB   ALA  12          3HB       ALA  12  -6.817   9.078  -4.850
  126   3HB   ALA  12          1HB       ALA  12  -7.170   8.677  -6.535
  127    QB   ALA  12           QB       ALA  12  -7.350   9.247  -5.701
  128    H    THR  13           HN       THR  13  -9.705   6.288  -3.429
  129    HA   THR  13           HA       THR  13 -10.669   8.320  -1.549
  130    HB   THR  13           HB       THR  13 -11.817   6.152  -0.702
  131    HG1  THR  13          1HG       THR  13 -11.768   4.481  -2.285
  132   1HG2  THR  13          1HG2      THR  13 -12.949   7.844  -2.149
  133   2HG2  THR  13          2HG2      THR  13 -12.319   7.021  -3.590
  134   3HG2  THR  13          3HG2      THR  13 -13.471   6.192  -2.524
  135    QG2  THR  13           QG2      THR  13 -12.913   7.019  -2.754
  136    H    THR  14           HN       THR  14 -10.628   7.573   0.784
  137    HA   THR  14           HA       THR  14  -7.971   6.582   1.629
  138    HB   THR  14           HB       THR  14  -8.389   8.157   3.616
  139    HG1  THR  14          1HG       THR  14 -10.070   9.477   1.758
  140   1HG2  THR  14          1HG2      THR  14  -7.909   9.422   0.897
  141   2HG2  THR  14          2HG2      THR  14  -7.516  10.151   2.466
  142   3HG2  THR  14          3HG2      THR  14  -6.685   8.670   1.962
  143    QG2  THR  14           QG2      THR  14  -7.370   9.414   1.775
  144    H    LYS  15           HN       LYS  15  -7.931   5.489   3.692
  145    HA   LYS  15           HA       LYS  15 -10.437   5.109   5.096
  146   1HB   LYS  15          2HB       LYS  15  -8.792   2.854   3.888
  147   2HB   LYS  15          3HB       LYS  15  -9.765   2.567   5.311
  148   1HG   LYS  15          2HG       LYS  15 -10.999   3.553   2.700
  149   2HG   LYS  15          3HG       LYS  15 -10.680   1.880   3.088
  150   1HD   LYS  15          2HD       LYS  15 -12.932   2.148   3.611
  151   2HD   LYS  15          3HD       LYS  15 -12.050   1.952   5.111
  152   1HE   LYS  15          2HE       LYS  15 -13.890   3.598   5.259
  153   2HE   LYS  15          3HE       LYS  15 -12.341   4.295   5.695
  154   1HZ   LYS  15          1HZ       LYS  15 -13.669   4.598   3.064
  155   2HZ   LYS  15          2HZ       LYS  15 -13.625   5.737   4.246
  156   3HZ   LYS  15          3HZ       LYS  15 -12.242   5.294   3.491
  157    QB   LYS  15           QB       LYS  15  -9.278   2.710   4.600
  158    QG   LYS  15           QG       LYS  15 -10.839   2.716   2.894
  159    QD   LYS  15           QD       LYS  15 -12.491   2.050   4.361
  160    QE   LYS  15           QE       LYS  15 -13.115   3.946   5.477
  161    QZ   LYS  15           QZ       LYS  15 -13.179   5.210   3.600
  162    H    SER  16           HN       SER  16  -9.897   3.841   7.152
  163    HA   SER  16           HA       SER  16  -7.610   5.006   8.502
  164   1HB   SER  16          2HB       SER  16  -9.684   4.463   9.713
  165   2HB   SER  16          3HB       SER  16  -9.492   2.741   9.317
  166    HG   SER  16           HG       SER  16  -7.932   2.595  10.784
  167    QB   SER  16           QB       SER  16  -9.588   3.602   9.515
  168    H    CYS  17           HN       CYS  17  -6.087   3.563   9.584
  169    HA   CYS  17           HA       CYS  17  -5.423   0.995   8.344
  170   1HB   CYS  17          2HB       CYS  17  -4.200   2.345   6.840
  171   2HB   CYS  17          3HB       CYS  17  -3.635   3.412   8.123
  172    QB   CYS  17           QB       CYS  17  -3.918   2.879   7.482
  173    H    GLU  20           HN       GLU  20  -5.500  -0.122  10.218
  174    HA   GLU  20           HA       GLU  20  -4.888   0.730  12.767
  175   1HB   GLU  20          2HB       GLU  20  -4.520  -1.921  12.994
  176   2HB   GLU  20          3HB       GLU  20  -6.098  -1.119  12.803
  177   1HG   GLU  20          2HG       GLU  20  -4.769  -2.127  10.319
  178   2HG   GLU  20          3HG       GLU  20  -5.552  -3.245  11.422
  179    QB   GLU  20           QB       GLU  20  -5.309  -1.520  12.898
  180    QG   GLU  20           QG       GLU  20  -5.160  -2.686  10.871
  181    H    GLU  21           HN       GLU  21  -2.637  -1.302  10.674
  182    HA   GLU  21           HA       GLU  21  -0.441  -1.063  12.354
  183   1HB   GLU  21          2HB       GLU  21  -0.586  -1.206   9.323
  184   2HB   GLU  21          3HB       GLU  21   0.930  -1.268  10.207
  185   1HG   GLU  21          2HG       GLU  21   0.385  -3.503   9.725
  186   2HG   GLU  21          3HG       GLU  21   0.169  -3.270  11.460
  187    QB   GLU  21           QB       GLU  21   0.172  -1.237   9.765
  188    QG   GLU  21           QG       GLU  21   0.277  -3.386  10.592
  189    H    ASN  22           HN       ASN  22   1.542   0.102  12.040
  190    HA   ASN  22           HA       ASN  22   1.228   2.974  11.995
  191   1HB   ASN  22          2HB       ASN  22   2.907   1.810  13.373
  192   2HB   ASN  22          3HB       ASN  22   3.691   1.184  11.913
  193   1HD2  ASN  22          2HD2      ASN  22   4.501   4.974  13.171
  194   2HD2  ASN  22          1HD2      ASN  22   3.311   3.994  14.001
  195    QB   ASN  22           QB       ASN  22   3.299   1.497  12.643
  196    QD2  ASN  22           QD2      ASN  22   3.906   4.484  13.586
  197    H    SER  23           HN       SER  23   2.060   0.538   9.549
  198    HA   SER  23           HA       SER  23   3.237   2.544   7.697
  199   1HB   SER  23          2HB       SER  23   3.427  -0.480   7.737
  200   2HB   SER  23          3HB       SER  23   4.379   0.655   6.775
  201    HG   SER  23           HG       SER  23   5.073   1.541   8.892
  202    QB   SER  23           QB       SER  23   3.903   0.087   7.256
  203    H    CYS  24           HN       CYS  24   2.905   1.903   5.374
  204    HA   CYS  24           HA       CYS  24   0.382   0.546   4.767
  205   1HB   CYS  24          2HB       CYS  24   0.977   3.415   3.944
  206   2HB   CYS  24          3HB       CYS  24  -0.375   2.445   3.338
  207    QB   CYS  24           QB       CYS  24   0.301   2.930   3.641
  208    OH   TYR  25           OH       TYR  25  -2.799  -4.461  -0.182
  209    H    TYR  25           HN       TYR  25   0.250   0.150   2.410
  210    HA   TYR  25           HA       TYR  25   2.920   0.110   1.142
  211   1HB   TYR  25          2HB       TYR  25   2.818  -2.136   0.595
  212   2HB   TYR  25          3HB       TYR  25   2.330  -2.080   2.276
  213    HD1  TYR  25           HD2      TYR  25   1.145  -2.513  -1.232
  214    HD2  TYR  25           HD1      TYR  25   0.134  -2.880   2.933
  215    HE1  TYR  25           HE2      TYR  25  -1.063  -3.435  -1.844
  216    HE2  TYR  25           HE1      TYR  25  -1.915  -4.150   2.314
  217    HH   TYR  25           HH       TYR  25  -3.380  -3.808  -0.595
  218    QB   TYR  25           QB       TYR  25   2.574  -2.108   1.435
  219    QR   TYR  25           QR       TYR  25  -0.424  -3.244   0.543
  220    H    LYS  26           HN       LYS  26   2.948  -0.361  -1.028
  221    HA   LYS  26           HA       LYS  26   0.617   0.403  -2.682
  222   1HB   LYS  26          2HB       LYS  26   2.338   2.246  -2.080
  223   2HB   LYS  26          3HB       LYS  26   3.496   1.363  -3.066
  224   1HG   LYS  26          2HG       LYS  26   0.790   2.323  -4.057
  225   2HG   LYS  26          3HG       LYS  26   2.218   3.352  -4.090
  226   1HD   LYS  26          2HD       LYS  26   3.338   2.157  -5.710
  227   2HD   LYS  26          3HD       LYS  26   2.541   0.642  -5.326
  228   1HE   LYS  26          2HE       LYS  26   1.114   2.984  -6.645
  229   2HE   LYS  26          3HE       LYS  26   1.848   1.631  -7.524
  230   1HZ   LYS  26          2HZ       LYS  26  -0.315   1.230  -5.529
  231   2HZ   LYS  26          3HZ       LYS  26  -0.469   1.191  -7.154
  232   3HZ   LYS  26          1HZ       LYS  26   0.437   0.103  -6.379
  233    QB   LYS  26           QB       LYS  26   2.917   1.805  -2.573
  234    QG   LYS  26           QG       LYS  26   1.504   2.838  -4.074
  235    QD   LYS  26           QD       LYS  26   2.939   1.399  -5.518
  236    QE   LYS  26           QE       LYS  26   1.481   2.308  -7.084
  237    QZ   LYS  26           QZ       LYS  26  -0.116   0.841  -6.354
  238    H    LYS  27           HN       LYS  27   0.364  -1.287  -4.206
  239    HA   LYS  27           HA       LYS  27   2.654  -3.117  -4.800
  240   1HB   LYS  27          2HB       LYS  27  -0.054  -3.738  -3.850
  241   2HB   LYS  27          3HB       LYS  27   0.100  -4.220  -5.518
  242   1HG   LYS  27          2HG       LYS  27   0.907  -6.129  -4.865
  243   2HG   LYS  27          3HG       LYS  27   2.412  -5.286  -4.627
  244   1HD   LYS  27          2HD       LYS  27   2.312  -6.109  -2.547
  245   2HD   LYS  27          3HD       LYS  27   1.212  -4.809  -2.185
  246   1HE   LYS  27          2HE       LYS  27   0.440  -7.662  -3.063
  247   2HE   LYS  27          3HE       LYS  27   0.442  -7.075  -1.403
  248   1HZ   LYS  27          2HZ       LYS  27  -1.333  -5.544  -2.004
  249   2HZ   LYS  27          3HZ       LYS  27  -1.391  -6.129  -3.552
  250   3HZ   LYS  27          1HZ       LYS  27  -1.753  -7.082  -2.325
  251    QB   LYS  27           QB       LYS  27   0.023  -3.979  -4.684
  252    QG   LYS  27           QG       LYS  27   1.659  -5.708  -4.746
  253    QD   LYS  27           QD       LYS  27   1.762  -5.459  -2.366
  254    QE   LYS  27           QE       LYS  27   0.441  -7.368  -2.233
  255    QZ   LYS  27           QZ       LYS  27  -1.492  -6.251  -2.627
  256    OH   TYR  28           OH       TYR  28   7.921  -0.394  -7.308
  257    H    TYR  28           HN       TYR  28   2.888  -3.669  -7.170
  258    HA   TYR  28           HA       TYR  28   0.843  -2.684  -8.977
  259   1HB   TYR  28          2HB       TYR  28   2.646  -1.467 -10.194
  260   2HB   TYR  28          3HB       TYR  28   2.019  -0.668  -8.764
  261    HD1  TYR  28           HD1      TYR  28   3.477  -0.828  -6.589
  262    HD2  TYR  28           HD2      TYR  28   4.978  -1.733 -10.520
  263    HE1  TYR  28           HE1      TYR  28   5.760  -0.297  -5.826
  264    HE2  TYR  28           HE2      TYR  28   7.264  -1.174  -9.764
  265    HH   TYR  28           HH       TYR  28   8.584  -0.454  -7.998
  266    QB   TYR  28           QB       TYR  28   2.333  -1.068  -9.479
  267    QR   TYR  28           QR       TYR  28   5.370  -1.008  -8.175
  268    CH2  TRP  29           CH2      TRP  29  -2.029  -7.567  -7.748
  269    H    TRP  29           HN       TRP  29   0.902  -3.837 -10.957
  270    HA   TRP  29           HA       TRP  29   3.331  -4.982 -11.870
  271   1HB   TRP  29          2HB       TRP  29   2.669  -7.232 -11.921
  272   2HB   TRP  29          3HB       TRP  29   2.741  -6.725 -10.246
  273    HD1  TRP  29           HD1      TRP  29   0.527  -8.309 -12.793
  274    HE1  TRP  29           HE1      TRP  29  -1.615  -9.141 -11.714
  275    HE3  TRP  29           HE3      TRP  29   0.889  -5.880  -8.279
  276    HZ2  TRP  29           HZ2      TRP  29  -2.973  -8.892  -9.170
  277    HZ3  TRP  29           HZ3      TRP  29  -0.871  -6.191  -6.569
  278    HH2  TRP  29           HH2      TRP  29  -2.798  -7.685  -6.996
  279    QB   TRP  29           QB       TRP  29   2.705  -6.979 -11.084
  280    NH1  ARG  30           NH2      ARG  30   6.485  -7.125 -17.181
  281    NH2  ARG  30           NH1      ARG  30   8.444  -6.056 -16.554
  282    H    ARG  30           HN       ARG  30   2.921  -6.126 -14.028
  283    HA   ARG  30           HA       ARG  30   0.848  -4.637 -15.489
  284   1HB   ARG  30          2HB       ARG  30   2.622  -5.890 -17.265
  285   2HB   ARG  30          3HB       ARG  30   2.443  -4.168 -16.880
  286   1HG   ARG  30          2HG       ARG  30   4.175  -4.398 -15.106
  287   2HG   ARG  30          3HG       ARG  30   4.373  -6.108 -15.572
  288   1HD   ARG  30          2HD       ARG  30   4.813  -5.182 -17.985
  289   2HD   ARG  30          3HD       ARG  30   4.875  -3.599 -17.228
  290    HE   ARG  30           HE       ARG  30   6.949  -4.033 -16.375
  291   1HH1  ARG  30          2HH2      ARG  30   5.488  -7.084 -17.335
  292   2HH1  ARG  30          1HH2      ARG  30   6.956  -8.012 -17.288
  293   1HH2  ARG  30          2HH1      ARG  30   8.940  -5.220 -16.276
  294   2HH2  ARG  30          1HH1      ARG  30   8.967  -6.915 -16.638
  295    QB   ARG  30           QB       ARG  30   2.533  -5.029 -17.073
  296    QG   ARG  30           QG       ARG  30   4.274  -5.253 -15.339
  297    QD   ARG  30           QD       ARG  30   4.844  -4.390 -17.606
  298    QH1  ARG  30           QH2      ARG  30   6.222  -7.548 -17.311
  299    QH2  ARG  30           QH1      ARG  30   8.953  -6.067 -16.457
  300    H    ASP  31           HN       ASP  31  -0.284  -5.679 -17.229
  301    HA   ASP  31           HA       ASP  31  -0.532  -8.624 -17.129
  302   1HB   ASP  31          2HB       ASP  31  -1.991  -7.981 -15.350
  303   2HB   ASP  31          3HB       ASP  31  -2.649  -6.620 -16.257
  304    QB   ASP  31           QB       ASP  31  -2.320  -7.300 -15.803
  305    H    HIS  32           HN       HIS  32  -3.192  -7.010 -18.405
  306    HA   HIS  32           HA       HIS  32  -2.617  -7.486 -21.120
  307   1HB   HIS  32          2HB       HIS  32  -4.815  -6.582 -21.459
  308   2HB   HIS  32          3HB       HIS  32  -4.835  -7.451 -19.942
  309    HD1  HIS  32           HD1      HIS  32  -6.339  -4.495 -21.169
  310    HD2  HIS  32           HD2      HIS  32  -4.117  -5.432 -17.701
  311    HE1  HIS  32           HE1      HIS  32  -6.879  -2.695 -19.425
  312    HE2  HIS  32           HE2      HIS  32  -5.532  -3.305 -17.322
  313    QB   HIS  32           QB       HIS  32  -4.825  -7.017 -20.700
  314    NH1  ARG  33           NH2      ARG  33  -3.989  -1.532 -28.227
  315    NH2  ARG  33           NH1      ARG  33  -6.074  -1.416 -27.225
  316    H    ARG  33           HN       ARG  33  -3.808  -4.913 -22.106
  317    HA   ARG  33           HA       ARG  33  -1.392  -3.260 -22.393
  318   1HB   ARG  33          2HB       ARG  33  -4.202  -2.848 -23.494
  319   2HB   ARG  33          3HB       ARG  33  -2.752  -1.907 -23.872
  320   1HG   ARG  33          2HG       ARG  33  -1.712  -4.129 -24.688
  321   2HG   ARG  33          3HG       ARG  33  -3.360  -4.776 -24.665
  322   1HD   ARG  33          2HD       ARG  33  -2.301  -2.377 -26.218
  323   2HD   ARG  33          3HD       ARG  33  -2.810  -3.937 -26.901
  324    HE   ARG  33           HE       ARG  33  -5.041  -2.979 -25.539
  325   1HH1  ARG  33          2HH2      ARG  33  -3.051  -1.904 -28.241
  326   2HH1  ARG  33          1HH2      ARG  33  -4.276  -0.915 -28.972
  327   1HH2  ARG  33          2HH1      ARG  33  -6.711  -1.666 -26.480
  328   2HH2  ARG  33          1HH1      ARG  33  -6.413  -0.802 -27.950
  329    QB   ARG  33           QB       ARG  33  -3.477  -2.378 -23.683
  330    QG   ARG  33           QG       ARG  33  -2.536  -4.452 -24.677
  331    QD   ARG  33           QD       ARG  33  -2.555  -3.157 -26.559
  332    QH1  ARG  33           QH2      ARG  33  -3.664  -1.410 -28.607
  333    QH2  ARG  33           QH1      ARG  33  -6.562  -1.234 -27.215
  334    H    GLY  34           HN       GLY  34  -2.025  -3.486 -19.805
  335   1HA   GLY  34          1HA       GLY  34  -2.043  -0.789 -19.023
  336   2HA   GLY  34          2HA       GLY  34  -3.616  -1.478 -18.559
  337    QA   GLY  34           QA       GLY  34  -2.830  -1.133 -18.791
  338    H    THR  35           HN       THR  35  -1.726  -0.660 -16.658
  339    HA   THR  35           HA       THR  35  -0.685  -3.217 -15.565
  340    HB   THR  35           HB       THR  35   0.907  -1.215 -16.169
  341    HG1  THR  35          1HG       THR  35   0.937  -2.722 -13.795
  342   1HG2  THR  35          1HG2      THR  35  -0.398   0.530 -14.910
  343   2HG2  THR  35          2HG2      THR  35   0.006  -0.332 -13.404
  344   3HG2  THR  35          3HG2      THR  35   1.294   0.377 -14.392
  345    QG2  THR  35           QG2      THR  35   0.301   0.192 -14.235
  346    H    ILE  36           HN       ILE  36  -1.175  -3.719 -13.392
  347    HA   ILE  36           HA       ILE  36  -3.598  -2.369 -12.403
  348    HB   ILE  36           HB       ILE  36  -2.931  -5.014 -12.513
  349   1HG1  ILE  36          2HG1      ILE  36  -4.760  -3.780 -10.417
  350   2HG1  ILE  36          3HG1      ILE  36  -5.160  -3.960 -12.135
  351   1HG2  ILE  36          2HG2      ILE  36  -1.171  -4.804 -10.794
  352   2HG2  ILE  36          3HG2      ILE  36  -2.387  -4.234  -9.617
  353   3HG2  ILE  36          1HG2      ILE  36  -2.499  -5.854 -10.302
  354   1HD1  ILE  36          2HD1      ILE  36  -4.819  -6.442 -11.913
  355   2HD1  ILE  36          3HD1      ILE  36  -4.689  -6.212 -10.153
  356   3HD1  ILE  36          1HD1      ILE  36  -6.180  -5.778 -10.992
  357    QG1  ILE  36           QG1      ILE  36  -4.960  -3.870 -11.276
  358    QG2  ILE  36           QG2      ILE  36  -2.019  -4.964 -10.237
  359    QD1  ILE  36           QD1      ILE  36  -5.229  -6.144 -11.019
  360    H    ILE  37           HN       ILE  37  -3.603  -1.173 -10.535
  361    HA   ILE  37           HA       ILE  37  -0.970  -0.502  -9.261
  362    HB   ILE  37           HB       ILE  37  -3.368   1.240  -9.980
  363   1HG1  ILE  37          2HG1      ILE  37  -2.009   0.787 -11.976
  364   2HG1  ILE  37          3HG1      ILE  37  -1.964   2.477 -11.493
  365   1HG2  ILE  37          2HG2      ILE  37  -2.357   1.918  -7.844
  366   2HG2  ILE  37          3HG2      ILE  37  -0.801   2.162  -8.682
  367   3HG2  ILE  37          1HG2      ILE  37  -2.200   3.147  -9.109
  368   1HD1  ILE  37          1HD1      ILE  37   0.261   0.454 -10.960
  369   2HD1  ILE  37          2HD1      ILE  37   0.233   1.690 -12.229
  370   3HD1  ILE  37          3HD1      ILE  37   0.307   2.185 -10.548
  371    QG1  ILE  37           QG1      ILE  37  -1.986   1.632 -11.735
  372    QG2  ILE  37           QG2      ILE  37  -1.786   2.409  -8.545
  373    QD1  ILE  37           QD1      ILE  37   0.267   1.443 -11.246
  374    H    GLU  38           HN       GLU  38  -1.123  -1.374  -7.157
  375    HA   GLU  38           HA       GLU  38  -3.801  -1.348  -5.833
  376   1HB   GLU  38          2HB       GLU  38  -3.466  -3.484  -6.843
  377   2HB   GLU  38          3HB       GLU  38  -1.835  -3.625  -6.230
  378   1HG   GLU  38          2HG       GLU  38  -2.657  -3.882  -3.936
  379   2HG   GLU  38          3HG       GLU  38  -4.326  -3.545  -4.475
  380    QB   GLU  38           QB       GLU  38  -2.650  -3.555  -6.537
  381    QG   GLU  38           QG       GLU  38  -3.492  -3.713  -4.205
  382    NH1  ARG  39           NH2      ARG  39  -3.018   3.004  -5.270
  383    NH2  ARG  39           NH1      ARG  39  -1.189   4.366  -5.286
  384    H    ARG  39           HN       ARG  39  -3.441  -2.024  -3.385
  385    HA   ARG  39           HA       ARG  39  -1.315  -0.487  -2.136
  386   1HB   ARG  39          2HB       ARG  39  -2.580   1.144  -3.563
  387   2HB   ARG  39          3HB       ARG  39  -4.080   0.707  -2.737
  388   1HG   ARG  39          2HG       ARG  39  -3.209   1.738  -0.745
  389   2HG   ARG  39          3HG       ARG  39  -1.596   1.939  -1.485
  390   1HD   ARG  39          2HD       ARG  39  -4.108   3.166  -2.724
  391   2HD   ARG  39          3HD       ARG  39  -3.159   3.925  -1.463
  392    HE   ARG  39           HE       ARG  39  -1.474   4.441  -2.816
  393   1HH1  ARG  39          2HH2      ARG  39  -3.787   2.522  -4.792
  394   2HH1  ARG  39          1HH2      ARG  39  -3.035   3.040  -6.276
  395   1HH2  ARG  39          2HH1      ARG  39  -0.413   4.733  -4.719
  396   2HH2  ARG  39          1HH1      ARG  39  -1.558   5.251  -5.642
  397    QB   ARG  39           QB       ARG  39  -3.330   0.925  -3.150
  398    QG   ARG  39           QG       ARG  39  -2.403   1.839  -1.115
  399    QD   ARG  39           QD       ARG  39  -3.634   3.546  -2.094
  400    QH1  ARG  39           QH2      ARG  39  -3.411   2.781  -5.534
  401    QH2  ARG  39           QH1      ARG  39  -0.986   4.992  -5.181
  402    H    GLY  40           HN       GLY  40  -1.838  -0.094   0.215
  403   1HA   GLY  40          1HA       GLY  40  -4.266  -0.568   1.400
  404   2HA   GLY  40          2HA       GLY  40  -3.499  -2.161   1.409
  405    QA   GLY  40           QA       GLY  40  -3.882  -1.364   1.404
  406    H    CYS  41           HN       CYS  41  -3.596  -1.893   3.758
  407    HA   CYS  41           HA       CYS  41  -1.716   0.059   4.974
  408   1HB   CYS  41          2HB       CYS  41  -3.683   0.338   5.855
  409   2HB   CYS  41          3HB       CYS  41  -4.177  -1.385   5.925
  410    QB   CYS  41           QB       CYS  41  -3.930  -0.523   5.890
  411    H    GLY  42           HN       GLY  42  -0.617  -0.667   6.813
  412   1HA   GLY  42          1HA       GLY  42   1.065  -2.018   7.795
  413   2HA   GLY  42          2HA       GLY  42   0.231  -3.444   7.145
  414    QA   GLY  42           QA       GLY  42   0.648  -2.731   7.470
  415    H    CYS  43           HN       CYS  43   2.218  -4.431   6.444
  416    HA   CYS  43           HA       CYS  43   3.217  -3.473   3.861
  417   1HB   CYS  43          2HB       CYS  43   4.611  -2.157   5.392
  418   2HB   CYS  43          3HB       CYS  43   5.117  -3.647   6.205
  419    QB   CYS  43           QB       CYS  43   4.864  -2.902   5.799
  420    HA   PRO  44           HA       PRO  44   3.354  -8.079   4.300
  421   1HB   PRO  44          2HB       PRO  44   1.809  -8.789   2.184
  422   2HB   PRO  44          3HB       PRO  44   1.090  -8.132   3.675
  423   1HG   PRO  44          2HG       PRO  44   1.762  -6.619   1.137
  424   2HG   PRO  44          3HG       PRO  44   0.204  -6.634   2.018
  425   1HD   PRO  44          2HD       PRO  44   2.126  -4.700   2.361
  426   2HD   PRO  44          3HD       PRO  44   1.053  -5.214   3.701
  427    QB   PRO  44           QB       PRO  44   1.449  -8.461   2.930
  428    QG   PRO  44           QG       PRO  44   0.983  -6.627   1.577
  429    QD   PRO  44           QD       PRO  44   1.589  -4.957   3.031
  430    H    LYS  45           HN       LYS  45   3.808  -9.640   2.183
  431    HA   LYS  45           HA       LYS  45   5.884  -8.363   0.475
  432   1HB   LYS  45          2HB       LYS  45   6.923  -9.697   2.223
  433   2HB   LYS  45          3HB       LYS  45   5.935 -11.094   1.815
  434   1HG   LYS  45          2HG       LYS  45   8.193 -11.393   1.048
  435   2HG   LYS  45          3HG       LYS  45   7.134 -11.318  -0.330
  436   1HD   LYS  45          2HD       LYS  45   9.132 -10.102  -0.831
  437   2HD   LYS  45          3HD       LYS  45   7.864  -8.884  -0.673
  438   1HE   LYS  45          2HE       LYS  45   8.619  -8.335   1.617
  439   2HE   LYS  45          3HE       LYS  45   9.824  -9.634   1.552
  440   1HZ   LYS  45          3HZ       LYS  45   9.786  -7.241  -0.165
  441   2HZ   LYS  45          1HZ       LYS  45  10.779  -7.498   1.117
  442   3HZ   LYS  45          2HZ       LYS  45  10.914  -8.440  -0.221
  443    QB   LYS  45           QB       LYS  45   6.429 -10.395   2.019
  444    QG   LYS  45           QG       LYS  45   7.664 -11.356   0.359
  445    QD   LYS  45           QD       LYS  45   8.498  -9.493  -0.752
  446    QE   LYS  45           QE       LYS  45   9.221  -8.985   1.585
  447    QZ   LYS  45           QZ       LYS  45  10.493  -7.726   0.244
  448    H    VAL  46           HN       VAL  46   6.245  -9.714  -1.449
  449    HA   VAL  46           HA       VAL  46   3.945 -11.240  -2.475
  450    HB   VAL  46           HB       VAL  46   4.080  -9.940  -4.635
  451   1HG1  VAL  46          2HG1      VAL  46   2.231  -9.625  -3.040
  452   2HG1  VAL  46          3HG1      VAL  46   3.142  -8.327  -2.237
  453   3HG1  VAL  46          1HG1      VAL  46   2.628  -8.143  -3.930
  454   1HG2  VAL  46          3HG2      VAL  46   6.258  -8.799  -4.290
  455   2HG2  VAL  46          1HG2      VAL  46   4.955  -7.648  -4.611
  456   3HG2  VAL  46          2HG2      VAL  46   5.554  -7.852  -2.960
  457    QG1  VAL  46           QG1      VAL  46   2.667  -8.698  -3.069
  458    QG2  VAL  46           QG2      VAL  46   5.589  -8.100  -3.954
  459    QQG  VAL  46           QQG      VAL  46   4.128  -8.399  -3.511
  460    H    LYS  47           HN       LYS  47   4.540 -12.289  -4.530
  461    HA   LYS  47           HA       LYS  47   7.220 -13.423  -4.476
  462   1HB   LYS  47          2HB       LYS  47   4.648 -13.859  -5.866
  463   2HB   LYS  47          3HB       LYS  47   5.944 -14.127  -6.930
  464   1HG   LYS  47          2HG       LYS  47   6.339 -16.175  -6.026
  465   2HG   LYS  47          3HG       LYS  47   6.574 -15.483  -4.438
  466   1HD   LYS  47          2HD       LYS  47   4.831 -17.088  -4.240
  467   2HD   LYS  47          3HD       LYS  47   4.165 -15.482  -3.987
  468   1HE   LYS  47          2HE       LYS  47   2.643 -16.900  -5.292
  469   2HE   LYS  47          3HE       LYS  47   3.135 -15.490  -6.230
  470   1HZ   LYS  47          3HZ       LYS  47   4.288 -18.193  -6.504
  471   2HZ   LYS  47          1HZ       LYS  47   3.172 -17.521  -7.505
  472   3HZ   LYS  47          2HZ       LYS  47   4.678 -16.876  -7.417
  473    QB   LYS  47           QB       LYS  47   5.296 -13.993  -6.398
  474    QG   LYS  47           QG       LYS  47   6.456 -15.829  -5.232
  475    QD   LYS  47           QD       LYS  47   4.498 -16.285  -4.113
  476    QE   LYS  47           QE       LYS  47   2.889 -16.195  -5.761
  477    QZ   LYS  47           QZ       LYS  47   4.046 -17.530  -7.142
  478    HA   PRO  48           HA       PRO  48   9.258 -10.680  -7.093
  479   1HB   PRO  48          2HB       PRO  48  10.723 -12.179  -8.872
  480   2HB   PRO  48          3HB       PRO  48  11.037 -12.142  -7.115
  481   1HG   PRO  48          2HG       PRO  48   9.566 -14.230  -8.699
  482   2HG   PRO  48          3HG       PRO  48  10.720 -14.468  -7.358
  483   1HD   PRO  48          2HD       PRO  48   7.962 -14.521  -7.155
  484   2HD   PRO  48          3HD       PRO  48   8.969 -14.143  -5.756
  485    QB   PRO  48           QB       PRO  48  10.880 -12.161  -7.993
  486    QG   PRO  48           QG       PRO  48  10.143 -14.349  -8.029
  487    QD   PRO  48           QD       PRO  48   8.466 -14.332  -6.456
  488    H    GLY  49           HN       GLY  49   9.492  -9.779  -9.373
  489   1HA   GLY  49          1HA       GLY  49   8.643  -9.199 -11.394
  490   2HA   GLY  49          2HA       GLY  49   7.557 -10.577 -11.300
  491    QA   GLY  49           QA       GLY  49   8.100  -9.888 -11.347
  492    H    VAL  50           HN       VAL  50   6.490  -9.722  -8.606
  493    HA   VAL  50           HA       VAL  50   4.629  -7.604  -9.470
  494    HB   VAL  50           HB       VAL  50   4.733  -9.375  -6.992
  495   1HG1  VAL  50          1HG1      VAL  50   2.563  -7.497  -7.986
  496   2HG1  VAL  50          2HG1      VAL  50   2.407  -8.618  -6.617
  497   3HG1  VAL  50          3HG1      VAL  50   3.537  -7.258  -6.524
  498   1HG2  VAL  50          1HG2      VAL  50   3.001  -9.517  -9.502
  499   2HG2  VAL  50          2HG2      VAL  50   4.269 -10.675  -9.044
  500   3HG2  VAL  50          3HG2      VAL  50   2.809 -10.534  -8.057
  501    QG1  VAL  50           QG1      VAL  50   2.836  -7.791  -7.042
  502    QG2  VAL  50           QG2      VAL  50   3.360 -10.242  -8.868
  503    QQG  VAL  50           QQG      VAL  50   3.098  -9.016  -7.955
  504    H    GLY  51           HN       GLY  51   5.161  -5.454  -9.013
  505   1HA   GLY  51          1HA       GLY  51   7.384  -4.944  -7.311
  506   2HA   GLY  51          2HA       GLY  51   6.481  -3.713  -8.147
  507    QA   GLY  51           QA       GLY  51   6.933  -4.329  -7.729
  508    H    ILE  52           HN       ILE  52   7.275  -3.345  -5.659
  509    HA   ILE  52           HA       ILE  52   4.848  -2.870  -4.193
  510    HB   ILE  52           HB       ILE  52   5.183  -5.189  -3.539
  511   1HG1  ILE  52          2HG1      ILE  52   5.979  -3.373  -1.222
  512   2HG1  ILE  52          3HG1      ILE  52   4.341  -3.502  -1.887
  513   1HG2  ILE  52          2HG2      ILE  52   7.625  -5.351  -3.963
  514   2HG2  ILE  52          3HG2      ILE  52   7.938  -4.394  -2.502
  515   3HG2  ILE  52          1HG2      ILE  52   7.179  -5.989  -2.388
  516   1HD1  ILE  52          3HD1      ILE  52   4.385  -5.966  -1.320
  517   2HD1  ILE  52          1HD1      ILE  52   5.944  -5.688  -0.514
  518   3HD1  ILE  52          2HD1      ILE  52   4.492  -4.869   0.069
  519    QG1  ILE  52           QG1      ILE  52   5.160  -3.438  -1.555
  520    QG2  ILE  52           QG2      ILE  52   7.581  -5.245  -2.951
  521    QD1  ILE  52           QD1      ILE  52   4.940  -5.508  -0.589
  522    H    HIS  53           HN       HIS  53   5.104  -1.268  -2.597
  523    HA   HIS  53           HA       HIS  53   7.801  -0.448  -1.745
  524   1HB   HIS  53          2HB       HIS  53   6.982   0.967  -3.766
  525   2HB   HIS  53          3HB       HIS  53   5.740   1.595  -2.688
  526    HD1  HIS  53           HD1      HIS  53   7.397   2.487  -0.125
  527    HD2  HIS  53           HD2      HIS  53   8.607   2.863  -4.170
  528    HE1  HIS  53           HE1      HIS  53   9.065   4.394  -0.211
  529    HE2  HIS  53           HE2      HIS  53   9.808   4.628  -2.664
  530    QB   HIS  53           QB       HIS  53   6.361   1.281  -3.227
  531    H    CYS  54           HN       CYS  54   7.640   0.234   0.483
  532    HA   CYS  54           HA       CYS  54   4.892   0.479   1.636
  533   1HB   CYS  54          2HB       CYS  54   7.368  -0.712   2.903
  534   2HB   CYS  54          3HB       CYS  54   5.884  -0.298   3.768
  535    QB   CYS  54           QB       CYS  54   6.626  -0.505   3.335
  536    H    CYS  55           HN       CYS  55   4.795   1.984   3.592
  537    HA   CYS  55           HA       CYS  55   6.970   3.834   3.942
  538   1HB   CYS  55          2HB       CYS  55   5.610   5.814   3.333
  539   2HB   CYS  55          3HB       CYS  55   6.144   4.855   1.974
  540    QB   CYS  55           QB       CYS  55   5.877   5.335   2.654
  541    H    GLN  56           HN       GLN  56   6.392   5.406   5.552
  542    HA   GLN  56           HA       GLN  56   4.259   4.474   7.442
  543   1HB   GLN  56          2HB       GLN  56   5.862   4.561   9.268
  544   2HB   GLN  56          3HB       GLN  56   6.298   3.349   8.075
  545   1HG   GLN  56          2HG       GLN  56   7.576   6.120   8.035
  546   2HG   GLN  56          3HG       GLN  56   8.143   4.859   9.116
  547   1HE2  GLN  56          2HE2      GLN  56   9.760   2.964   6.604
  548   2HE2  GLN  56          1HE2      GLN  56   9.178   2.971   8.252
  549    QB   GLN  56           QB       GLN  56   6.080   3.955   8.671
  550    QG   GLN  56           QG       GLN  56   7.860   5.489   8.576
  551    QE2  GLN  56           QE2      GLN  56   9.469   2.967   7.428
  552    H    SER  57           HN       SER  57   3.381   6.526   6.189
  553    HA   SER  57           HA       SER  57   3.183   8.349   8.436
  554   1HB   SER  57          2HB       SER  57   4.180   9.387   5.762
  555   2HB   SER  57          3HB       SER  57   3.366  10.408   6.955
  556    HG   SER  57           HG       SER  57   5.452   8.780   7.874
  557    QB   SER  57           QB       SER  57   3.773   9.898   6.359
  558    H    ASP  58           HN       ASP  58   1.254   9.769   8.222
  559    HA   ASP  58           HA       ASP  58  -0.962   8.324   7.128
  560   1HB   ASP  58          2HB       ASP  58  -1.377   9.797   8.992
  561   2HB   ASP  58          3HB       ASP  58  -0.718  11.192   8.109
  562    QB   ASP  58           QB       ASP  58  -1.047  10.494   8.550
  563    H    LYS  59           HN       LYS  59  -2.182   8.995   5.311
  564    HA   LYS  59           HA       LYS  59  -2.213   9.002   2.972
  565   1HB   LYS  59          2HB       LYS  59  -1.151  11.819   3.512
  566   2HB   LYS  59          3HB       LYS  59  -2.181  11.317   2.176
  567   1HG   LYS  59          2HG       LYS  59  -3.856  10.569   4.072
  568   2HG   LYS  59          3HG       LYS  59  -2.852  11.622   5.090
  569   1HD   LYS  59          2HD       LYS  59  -3.225  13.512   3.555
  570   2HD   LYS  59          3HD       LYS  59  -4.295  12.491   2.563
  571   1HE   LYS  59          2HE       LYS  59  -5.792  12.132   4.520
  572   2HE   LYS  59          3HE       LYS  59  -4.704  13.077   5.550
  573   1HZ   LYS  59          3HZ       LYS  59  -5.184  14.999   4.198
  574   2HZ   LYS  59          1HZ       LYS  59  -6.202  14.127   3.238
  575   3HZ   LYS  59          2HZ       LYS  59  -6.566  14.368   4.822
  576    QB   LYS  59           QB       LYS  59  -1.666  11.568   2.844
  577    QG   LYS  59           QG       LYS  59  -3.354  11.095   4.581
  578    QD   LYS  59           QD       LYS  59  -3.760  13.001   3.059
  579    QE   LYS  59           QE       LYS  59  -5.248  12.605   5.035
  580    QZ   LYS  59           QZ       LYS  59  -5.984  14.498   4.086
  581    H    CYS  60           HN       CYS  60   0.543   8.085   3.974
  582    HA   CYS  60           HA       CYS  60   2.400   9.285   2.158
  583   1HB   CYS  60          2HB       CYS  60   3.971   7.686   2.873
  584   2HB   CYS  60          3HB       CYS  60   2.994   8.154   4.251
  585    QB   CYS  60           QB       CYS  60   3.482   7.920   3.562
  586    H    ASN  61           HN       ASN  61   0.261   6.458   1.860
  587    HA   ASN  61           HA       ASN  61   1.670   5.601  -0.557
  588   1HB   ASN  61          2HB       ASN  61   0.548   3.551  -0.340
  589   2HB   ASN  61          3HB       ASN  61   1.112   3.989   1.273
  590   1HD2  ASN  61          2HD2      ASN  61  -2.567   2.805   1.076
  591   2HD2  ASN  61          1HD2      ASN  61  -1.008   2.085   0.636
  592    QB   ASN  61           QB       ASN  61   0.830   3.770   0.467
  593    QD2  ASN  61           QD2      ASN  61  -1.787   2.445   0.856
  594    OH   TYR  62           OH       TYR  62  -4.597  12.330  -6.054
  595    H    TYR  62           HN       TYR  62   0.549   7.947  -1.329
  596    HA   TYR  62           HA       TYR  62  -2.165   7.641  -2.320
  597   1HB   TYR  62          2HB       TYR  62  -0.955   9.829  -1.969
  598   2HB   TYR  62          3HB       TYR  62   0.022   9.396  -3.367
  599    HD1  TYR  62           HD1      TYR  62  -3.553   9.787  -2.435
  600    HD2  TYR  62           HD2      TYR  62  -0.537  10.387  -5.418
  601    HE1  TYR  62           HE1      TYR  62  -5.161  11.129  -3.755
  602    HE2  TYR  62           HE2      TYR  62  -2.116  11.769  -6.730
  603    HH   TYR  62           HH       TYR  62  -5.428  12.500  -5.608
  604    QB   TYR  62           QB       TYR  62  -0.467   9.612  -2.668
  605    QR   TYR  62           QR       TYR  62  -2.842  10.768  -4.584
   
  Start of MODEL           6
 Raw file had 605 H/Q atoms
  Start of MODEL    6
    1    NH1  ARG   1           NH2      ARG   1   2.211   7.873  10.111
    2    NH2  ARG   1           NH1      ARG   1   3.514   5.975   9.805
    3    H    ARG   1           HN       ARG   1  -4.125   3.753  11.894
    4    HA   ARG   1           HA       ARG   1  -2.715   6.269  11.215
    5   1HB   ARG   1          2HB       ARG   1  -1.286   4.153  11.207
    6   2HB   ARG   1          3HB       ARG   1  -2.370   3.507   9.969
    7   1HG   ARG   1          2HG       ARG   1  -0.433   4.262   8.878
    8   2HG   ARG   1          3HG       ARG   1  -1.671   5.396   8.453
    9   1HD   ARG   1          2HD       ARG   1  -0.290   7.037   9.151
   10   2HD   ARG   1          3HD       ARG   1  -0.472   6.496  10.828
   11    HE   ARG   1           HE       ARG   1   1.408   4.805   9.603
   12   1HH1  ARG   1          2HH2      ARG   1   1.299   8.305  10.123
   13   2HH1  ARG   1          1HH2      ARG   1   3.029   8.456  10.209
   14   1HH2  ARG   1          2HH1      ARG   1   3.548   4.968   9.624
   15   2HH2  ARG   1          1HH1      ARG   1   4.367   6.510   9.629
   16    QB   ARG   1           QB       ARG   1  -1.828   3.830  10.588
   17    QG   ARG   1           QG       ARG   1  -1.052   4.829   8.666
   18    QD   ARG   1           QD       ARG   1  -0.381   6.767   9.989
   19    QH1  ARG   1           QH2      ARG   1   2.164   8.381  10.166
   20    QH2  ARG   1           QH1      ARG   1   3.957   5.739   9.626
   21    H    ILE   2           HN       ILE   2  -3.091   6.867   8.808
   22    HA   ILE   2           HA       ILE   2  -5.602   5.752   7.701
   23    HB   ILE   2           HB       ILE   2  -4.689   8.650   7.578
   24   1HG1  ILE   2          2HG1      ILE   2  -7.147   8.938   8.452
   25   2HG1  ILE   2          3HG1      ILE   2  -7.019   7.267   8.986
   26   1HG2  ILE   2          1HG2      ILE   2  -7.054   7.265   6.253
   27   2HG2  ILE   2          2HG2      ILE   2  -6.730   9.009   6.228
   28   3HG2  ILE   2          3HG2      ILE   2  -5.623   7.907   5.421
   29   1HD1  ILE   2          2HD1      ILE   2  -5.168   9.558   9.802
   30   2HD1  ILE   2          3HD1      ILE   2  -6.561   8.982  10.737
   31   3HD1  ILE   2          1HD1      ILE   2  -5.168   7.926  10.508
   32    QG1  ILE   2           QG1      ILE   2  -7.083   8.102   8.719
   33    QG2  ILE   2           QG2      ILE   2  -6.469   8.060   5.967
   34    QD1  ILE   2           QD1      ILE   2  -5.632   8.822  10.349
   35    H    CYS   3           HN       CYS   3  -5.467   5.140   5.598
   36    HA   CYS   3           HA       CYS   3  -2.910   5.607   4.120
   37   1HB   CYS   3          2HB       CYS   3  -4.306   2.946   4.573
   38   2HB   CYS   3          3HB       CYS   3  -3.007   3.216   3.420
   39    QB   CYS   3           QB       CYS   3  -3.656   3.081   3.997
   40    OH   TYR   4           OH       TYR   4  -4.158  11.730  -0.909
   41    H    TYR   4           HN       TYR   4  -3.177   5.234   1.819
   42    HA   TYR   4           HA       TYR   4  -5.805   6.006   0.737
   43   1HB   TYR   4          2HB       TYR   4  -3.015   5.709  -0.360
   44   2HB   TYR   4          3HB       TYR   4  -4.368   5.650  -1.440
   45    HD1  TYR   4           HD1      TYR   4  -6.078   7.650  -1.387
   46    HD2  TYR   4           HD2      TYR   4  -2.051   7.836   0.131
   47    HE1  TYR   4           HE1      TYR   4  -6.153  10.101  -1.525
   48    HE2  TYR   4           HE2      TYR   4  -2.095  10.312  -0.159
   49    HH   TYR   4           HH       TYR   4  -4.943  12.074  -1.341
   50    QB   TYR   4           QB       TYR   4  -3.691   5.679  -0.900
   51    QR   TYR   4           QR       TYR   4  -4.094   8.975  -0.735
   52    H    ASN   5           HN       ASN   5  -7.127   4.722  -0.470
   53    HA   ASN   5           HA       ASN   5  -6.349   1.915  -1.021
   54   1HB   ASN   5          2HB       ASN   5  -8.119   0.946   0.145
   55   2HB   ASN   5          3HB       ASN   5  -7.375   2.061   1.300
   56   1HD2  ASN   5          2HD2      ASN   5 -11.272   2.304   0.839
   57   2HD2  ASN   5          1HD2      ASN   5 -10.235   0.893   0.833
   58    QB   ASN   5           QB       ASN   5  -7.747   1.503   0.723
   59    QD2  ASN   5           QD2      ASN   5 -10.753   1.598   0.836
   60    H    HIS   6           HN       HIS   6  -6.453   3.733  -2.913
   61    HA   HIS   6           HA       HIS   6  -9.034   3.388  -4.388
   62   1HB   HIS   6          2HB       HIS   6  -8.224   5.123  -5.943
   63   2HB   HIS   6          3HB       HIS   6  -8.602   5.675  -4.323
   64    HD1  HIS   6           HD1      HIS   6  -6.182   6.476  -6.836
   65    HD2  HIS   6           HD2      HIS   6  -6.177   5.782  -2.693
   66    HE1  HIS   6           HE1      HIS   6  -3.982   7.571  -5.864
   67    HE2  HIS   6           HE2      HIS   6  -3.967   7.047  -3.410
   68    QB   HIS   6           QB       HIS   6  -8.413   5.399  -5.133
   69    H    GLN   7           HN       GLN   7  -8.796   2.701  -6.687
   70    HA   GLN   7           HA       GLN   7  -6.749   0.579  -6.712
   71   1HB   GLN   7          2HB       GLN   7  -8.855   0.733  -8.834
   72   2HB   GLN   7          3HB       GLN   7  -8.168  -0.625  -7.962
   73   1HG   GLN   7          2HG       GLN   7 -10.337   1.263  -7.026
   74   2HG   GLN   7          3HG       GLN   7 -10.467  -0.463  -7.362
   75   1HE2  GLN   7          2HE2      GLN   7 -10.007   0.410  -3.604
   76   2HE2  GLN   7          1HE2      GLN   7 -11.058   1.097  -4.824
   77    QB   GLN   7           QB       GLN   7  -8.511   0.054  -8.398
   78    QG   GLN   7           QG       GLN   7 -10.402   0.400  -7.194
   79    QE2  GLN   7           QE2      GLN   7 -10.533   0.753  -4.214
   80    H    SER   8           HN       SER   8  -6.313   0.076  -9.275
   81    HA   SER   8           HA       SER   8  -4.626   2.063 -10.326
   82   1HB   SER   8          2HB       SER   8  -5.106  -0.519 -10.977
   83   2HB   SER   8          3HB       SER   8  -6.141   0.227 -12.196
   84    HG   SER   8           HG       SER   8  -4.316   1.480 -12.836
   85    QB   SER   8           QB       SER   8  -5.623  -0.146 -11.587
   86    H    THR   9           HN       THR   9  -4.984   3.923 -11.404
   87    HA   THR   9           HA       THR   9  -6.101   5.678 -12.362
   88    HB   THR   9           HB       THR   9  -7.273   4.785 -14.550
   89    HG1  THR   9          1HG       THR   9  -7.458   2.615 -13.592
   90   1HG2  THR   9          1HG2      THR   9  -4.355   4.175 -13.931
   91   2HG2  THR   9          2HG2      THR   9  -5.079   4.326 -15.546
   92   3HG2  THR   9          3HG2      THR   9  -5.011   5.732 -14.478
   93    QG2  THR   9           QG2      THR   9  -4.815   4.744 -14.652
   94    H    THR  10           HN       THR  10  -7.500   4.987 -10.049
   95    HA   THR  10           HA       THR  10 -10.263   5.764 -10.836
   96    HB   THR  10           HB       THR  10 -10.915   4.151  -8.854
   97    HG1  THR  10          1HG       THR  10  -8.635   2.850  -9.892
   98   1HG2  THR  10          2HG2      THR  10 -10.143   3.066 -11.603
   99   2HG2  THR  10          3HG2      THR  10 -11.192   2.263 -10.423
  100   3HG2  THR  10          1HG2      THR  10 -11.695   3.799 -11.158
  101    QG2  THR  10           QG2      THR  10 -11.010   3.043 -11.061
  102    NH1  ARG  11           NH2      ARG  11 -14.346   8.581  -3.970
  103    NH2  ARG  11           NH1      ARG  11 -16.097   7.317  -4.808
  104    H    ARG  11           HN       ARG  11 -11.489   6.684  -9.181
  105    HA   ARG  11           HA       ARG  11 -10.370   8.938  -8.158
  106   1HB   ARG  11          2HB       ARG  11 -12.773   8.588  -8.536
  107   2HB   ARG  11          3HB       ARG  11 -12.838   7.459  -7.165
  108   1HG   ARG  11          2HG       ARG  11 -12.247   9.291  -5.613
  109   2HG   ARG  11          3HG       ARG  11 -12.049  10.403  -6.965
  110   1HD   ARG  11          2HD       ARG  11 -14.227  10.725  -5.812
  111   2HD   ARG  11          3HD       ARG  11 -14.389  10.304  -7.512
  112    HE   ARG  11           HE       ARG  11 -15.556   8.460  -6.964
  113   1HH1  ARG  11          2HH2      ARG  11 -13.577   9.220  -4.122
  114   2HH1  ARG  11          1HH2      ARG  11 -14.455   8.185  -3.050
  115   1HH2  ARG  11          2HH1      ARG  11 -16.707   7.052  -5.569
  116   2HH2  ARG  11          1HH1      ARG  11 -16.253   6.890  -3.907
  117    QB   ARG  11           QB       ARG  11 -12.805   8.023  -7.850
  118    QG   ARG  11           QG       ARG  11 -12.148   9.847  -6.289
  119    QD   ARG  11           QD       ARG  11 -14.308  10.514  -6.662
  120    QH1  ARG  11           QH2      ARG  11 -14.016   8.702  -3.586
  121    QH2  ARG  11           QH1      ARG  11 -16.480   6.971  -4.738
  122    H    ALA  12           HN       ALA  12  -9.499   9.657  -6.290
  123    HA   ALA  12           HA       ALA  12  -8.153   7.977  -4.510
  124   1HB   ALA  12          1HB       ALA  12  -7.535  10.295  -4.911
  125   2HB   ALA  12          2HB       ALA  12  -9.037  10.857  -4.133
  126   3HB   ALA  12          3HB       ALA  12  -7.802  10.007  -3.181
  127    QB   ALA  12           QB       ALA  12  -8.125  10.387  -4.075
  128    H    THR  13           HN       THR  13  -8.582   7.076  -2.573
  129    HA   THR  13           HA       THR  13 -10.840   7.843  -0.892
  130    HB   THR  13           HB       THR  13 -11.081   5.264  -0.502
  131    HG1  THR  13          1HG       THR  13 -10.211   3.986  -2.016
  132   1HG2  THR  13          2HG2      THR  13 -12.892   6.618  -1.406
  133   2HG2  THR  13          3HG2      THR  13 -12.234   6.436  -3.054
  134   3HG2  THR  13          1HG2      THR  13 -12.828   5.016  -2.166
  135    QG2  THR  13           QG2      THR  13 -12.651   6.023  -2.209
  136    H    THR  14           HN       THR  14 -10.233   7.511   1.283
  137    HA   THR  14           HA       THR  14  -7.715   6.112   1.822
  138    HB   THR  14           HB       THR  14  -7.163   7.762   3.585
  139    HG1  THR  14          1HG       THR  14  -9.469   8.721   3.296
  140   1HG2  THR  14          1HG2      THR  14  -7.238   8.905   0.764
  141   2HG2  THR  14          2HG2      THR  14  -6.312   9.618   2.087
  142   3HG2  THR  14          3HG2      THR  14  -5.913   8.000   1.542
  143    QG2  THR  14           QG2      THR  14  -6.488   8.841   1.464
  144    H    LYS  15           HN       LYS  15  -7.763   5.040   3.856
  145    HA   LYS  15           HA       LYS  15 -10.203   5.274   5.489
  146   1HB   LYS  15          2HB       LYS  15  -9.247   2.707   4.143
  147   2HB   LYS  15          3HB       LYS  15 -10.209   2.705   5.609
  148   1HG   LYS  15          2HG       LYS  15 -11.963   4.113   4.396
  149   2HG   LYS  15          3HG       LYS  15 -11.014   3.872   2.936
  150   1HD   LYS  15          2HD       LYS  15 -12.809   2.246   2.952
  151   2HD   LYS  15          3HD       LYS  15 -11.253   1.433   3.104
  152   1HE   LYS  15          2HE       LYS  15 -13.005   0.409   4.483
  153   2HE   LYS  15          3HE       LYS  15 -11.587   0.893   5.407
  154   1HZ   LYS  15          3HZ       LYS  15 -14.100   2.434   5.254
  155   2HZ   LYS  15          1HZ       LYS  15 -13.661   1.443   6.485
  156   3HZ   LYS  15          2HZ       LYS  15 -12.787   2.797   6.180
  157    QB   LYS  15           QB       LYS  15  -9.728   2.706   4.876
  158    QG   LYS  15           QG       LYS  15 -11.489   3.992   3.666
  159    QD   LYS  15           QD       LYS  15 -12.031   1.840   3.028
  160    QE   LYS  15           QE       LYS  15 -12.296   0.651   4.945
  161    QZ   LYS  15           QZ       LYS  15 -13.516   2.225   5.973
  162    H    SER  16           HN       SER  16  -9.890   4.167   7.571
  163    HA   SER  16           HA       SER  16  -7.174   4.657   8.512
  164   1HB   SER  16          2HB       SER  16  -9.143   5.525   9.762
  165   2HB   SER  16          3HB       SER  16  -9.552   3.847  10.191
  166    HG   SER  16           HG       SER  16  -6.965   4.940  10.633
  167    QB   SER  16           QB       SER  16  -9.348   4.686   9.976
  168    H    CYS  17           HN       CYS  17  -5.953   3.134   9.669
  169    HA   CYS  17           HA       CYS  17  -6.627   0.271   9.716
  170   1HB   CYS  17          2HB       CYS  17  -4.607   1.355   7.870
  171   2HB   CYS  17          3HB       CYS  17  -4.335  -0.156   8.752
  172    QB   CYS  17           QB       CYS  17  -4.471   0.600   8.311
  173    H    GLU  20           HN       GLU  20  -4.961  -0.832  11.145
  174    HA   GLU  20           HA       GLU  20  -4.349   1.035  13.324
  175   1HB   GLU  20          2HB       GLU  20  -3.881  -0.989  14.610
  176   2HB   GLU  20          3HB       GLU  20  -5.494  -0.960  13.891
  177   1HG   GLU  20          2HG       GLU  20  -4.727  -2.543  12.113
  178   2HG   GLU  20          3HG       GLU  20  -3.136  -2.603  12.892
  179    QB   GLU  20           QB       GLU  20  -4.687  -0.975  14.250
  180    QG   GLU  20           QG       GLU  20  -3.931  -2.573  12.503
  181    H    GLU  21           HN       GLU  21  -2.625  -1.042  11.011
  182    HA   GLU  21           HA       GLU  21  -0.104  -0.987  12.116
  183   1HB   GLU  21          2HB       GLU  21  -0.620  -0.811   9.127
  184   2HB   GLU  21          3HB       GLU  21   0.754  -1.546   9.962
  185   1HG   GLU  21          2HG       GLU  21  -0.399  -3.456   9.496
  186   2HG   GLU  21          3HG       GLU  21  -1.155  -3.087  11.041
  187    QB   GLU  21           QB       GLU  21   0.067  -1.178   9.545
  188    QG   GLU  21           QG       GLU  21  -0.777  -3.271  10.269
  189    H    ASN  22           HN       ASN  22   1.785   0.196  11.755
  190    HA   ASN  22           HA       ASN  22   1.458   3.068  11.490
  191   1HB   ASN  22          2HB       ASN  22   3.888   3.139  11.832
  192   2HB   ASN  22          3HB       ASN  22   3.088   2.122  13.038
  193   1HD2  ASN  22          2HD2      ASN  22   5.794   0.448  10.474
  194   2HD2  ASN  22          1HD2      ASN  22   5.363   2.147  10.325
  195    QB   ASN  22           QB       ASN  22   3.488   2.631  12.435
  196    QD2  ASN  22           QD2      ASN  22   5.578   1.298  10.399
  197    H    SER  23           HN       SER  23   2.412   0.407   9.259
  198    HA   SER  23           HA       SER  23   3.503   2.309   7.315
  199   1HB   SER  23          2HB       SER  23   3.640  -0.068   6.119
  200   2HB   SER  23          3HB       SER  23   4.799   0.456   7.342
  201    HG   SER  23           HG       SER  23   3.990  -1.635   7.844
  202    QB   SER  23           QB       SER  23   4.220   0.194   6.731
  203    H    CYS  24           HN       CYS  24   2.853   2.195   5.138
  204    HA   CYS  24           HA       CYS  24   0.236   0.971   4.534
  205   1HB   CYS  24          2HB       CYS  24   1.092   3.587   3.297
  206   2HB   CYS  24          3HB       CYS  24  -0.429   2.743   3.059
  207    QB   CYS  24           QB       CYS  24   0.332   3.165   3.178
  208    OH   TYR  25           OH       TYR  25  -2.848  -4.133  -0.032
  209    H    TYR  25           HN       TYR  25   0.167   0.426   2.144
  210    HA   TYR  25           HA       TYR  25   2.827   0.425   0.874
  211   1HB   TYR  25          2HB       TYR  25   2.871  -1.888   0.448
  212   2HB   TYR  25          3HB       TYR  25   2.435  -1.766   2.137
  213    HD1  TYR  25           HD1      TYR  25   1.269  -2.645  -1.268
  214    HD2  TYR  25           HD2      TYR  25   0.168  -2.420   2.885
  215    HE1  TYR  25           HE1      TYR  25  -0.935  -3.652  -1.793
  216    HE2  TYR  25           HE2      TYR  25  -1.969  -3.580   2.370
  217    HH   TYR  25           HH       TYR  25  -3.081  -4.017  -0.973
  218    QB   TYR  25           QB       TYR  25   2.653  -1.827   1.293
  219    QR   TYR  25           QR       TYR  25  -0.367  -3.074   0.549
  220    H    LYS  26           HN       LYS  26   2.852  -0.087  -1.313
  221    HA   LYS  26           HA       LYS  26   0.308   0.160  -2.745
  222   1HB   LYS  26          2HB       LYS  26   2.214   2.241  -2.768
  223   2HB   LYS  26          3HB       LYS  26   2.571   1.332  -4.255
  224   1HG   LYS  26          2HG       LYS  26   0.124   1.409  -4.827
  225   2HG   LYS  26          3HG       LYS  26  -0.141   2.269  -3.285
  226   1HD   LYS  26          2HD       LYS  26  -0.289   3.825  -5.038
  227   2HD   LYS  26          3HD       LYS  26   1.092   4.186  -4.025
  228   1HE   LYS  26          2HE       LYS  26   1.798   2.505  -6.384
  229   2HE   LYS  26          3HE       LYS  26   0.972   4.004  -6.840
  230   1HZ   LYS  26          2HZ       LYS  26   2.505   5.239  -5.530
  231   2HZ   LYS  26          3HZ       LYS  26   3.380   3.872  -5.188
  232   3HZ   LYS  26          1HZ       LYS  26   3.272   4.411  -6.742
  233    QB   LYS  26           QB       LYS  26   2.392   1.786  -3.511
  234    QG   LYS  26           QG       LYS  26  -0.008   1.839  -4.056
  235    QD   LYS  26           QD       LYS  26   0.402   4.005  -4.532
  236    QE   LYS  26           QE       LYS  26   1.385   3.254  -6.612
  237    QZ   LYS  26           QZ       LYS  26   3.052   4.508  -5.820
  238    H    LYS  27           HN       LYS  27   0.033  -1.372  -4.181
  239    HA   LYS  27           HA       LYS  27   2.241  -3.231  -4.846
  240   1HB   LYS  27          2HB       LYS  27  -0.651  -3.527  -4.097
  241   2HB   LYS  27          3HB       LYS  27  -0.218  -4.409  -5.547
  242   1HG   LYS  27          2HG       LYS  27   1.033  -4.800  -2.814
  243   2HG   LYS  27          3HG       LYS  27  -0.037  -5.896  -3.703
  244   1HD   LYS  27          2HD       LYS  27   1.974  -5.325  -5.564
  245   2HD   LYS  27          3HD       LYS  27   2.863  -5.384  -4.021
  246   1HE   LYS  27          2HE       LYS  27   1.747  -7.722  -3.760
  247   2HE   LYS  27          3HE       LYS  27   1.206  -7.504  -5.432
  248   1HZ   LYS  27          2HZ       LYS  27   3.713  -6.959  -5.812
  249   2HZ   LYS  27          3HZ       LYS  27   3.964  -7.780  -4.454
  250   3HZ   LYS  27          1HZ       LYS  27   3.251  -8.532  -5.707
  251    QB   LYS  27           QB       LYS  27  -0.434  -3.968  -4.822
  252    QG   LYS  27           QG       LYS  27   0.498  -5.348  -3.259
  253    QD   LYS  27           QD       LYS  27   2.418  -5.354  -4.793
  254    QE   LYS  27           QE       LYS  27   1.477  -7.613  -4.596
  255    QZ   LYS  27           QZ       LYS  27   3.643  -7.757  -5.324
  256    OH   TYR  28           OH       TYR  28   7.407  -0.988  -6.719
  257    H    TYR  28           HN       TYR  28   2.601  -3.600  -7.152
  258    HA   TYR  28           HA       TYR  28   0.585  -2.801  -8.997
  259   1HB   TYR  28          2HB       TYR  28   2.294  -1.303 -10.098
  260   2HB   TYR  28          3HB       TYR  28   1.550  -0.619  -8.651
  261    HD1  TYR  28           HD2      TYR  28   2.888  -0.388  -6.547
  262    HD2  TYR  28           HD1      TYR  28   4.650  -1.838 -10.207
  263    HE1  TYR  28           HE2      TYR  28   5.126  -0.301  -5.502
  264    HE2  TYR  28           HE1      TYR  28   6.901  -1.666  -9.187
  265    HH   TYR  28           HH       TYR  28   7.419  -1.121  -5.764
  266    QB   TYR  28           QB       TYR  28   1.922  -0.961  -9.375
  267    QR   TYR  28           QR       TYR  28   4.891  -1.048  -7.861
  268    CH2  TRP  29           CH2      TRP  29  -2.531  -7.100  -8.701
  269    H    TRP  29           HN       TRP  29   1.033  -3.693 -11.117
  270    HA   TRP  29           HA       TRP  29   3.548  -4.836 -11.771
  271   1HB   TRP  29          2HB       TRP  29   2.887  -7.070 -11.956
  272   2HB   TRP  29          3HB       TRP  29   2.733  -6.603 -10.269
  273    HD1  TRP  29           HD1      TRP  29   0.943  -8.235 -13.077
  274    HE1  TRP  29           HE1      TRP  29  -1.424  -8.824 -12.493
  275    HE3  TRP  29           HE3      TRP  29   0.581  -5.687  -8.637
  276    HZ2  TRP  29           HZ2      TRP  29  -3.265  -8.384 -10.285
  277    HZ3  TRP  29           HZ3      TRP  29  -1.502  -5.817  -7.305
  278    HH2  TRP  29           HH2      TRP  29  -3.441  -7.147  -8.123
  279    QB   TRP  29           QB       TRP  29   2.810  -6.836 -11.112
  280    NH1  ARG  30           NH2      ARG  30   6.982  -2.443 -17.621
  281    NH2  ARG  30           NH1      ARG  30   7.650  -3.219 -15.539
  282    H    ARG  30           HN       ARG  30   2.811  -6.241 -14.088
  283    HA   ARG  30           HA       ARG  30   0.730  -4.629 -15.457
  284   1HB   ARG  30          2HB       ARG  30   3.467  -5.614 -16.267
  285   2HB   ARG  30          3HB       ARG  30   2.255  -5.221 -17.436
  286   1HG   ARG  30          2HG       ARG  30   2.175  -2.932 -16.881
  287   2HG   ARG  30          3HG       ARG  30   3.028  -3.148 -15.342
  288   1HD   ARG  30          2HD       ARG  30   4.352  -3.728 -18.020
  289   2HD   ARG  30          3HD       ARG  30   4.278  -2.090 -17.318
  290    HE   ARG  30           HE       ARG  30   5.233  -3.939 -15.357
  291   1HH1  ARG  30          2HH2      ARG  30   6.255  -2.336 -18.312
  292   2HH1  ARG  30          1HH2      ARG  30   7.910  -2.112 -17.840
  293   1HH2  ARG  30          2HH1      ARG  30   7.435  -3.654 -14.652
  294   2HH2  ARG  30          1HH1      ARG  30   8.597  -2.909 -15.700
  295    QB   ARG  30           QB       ARG  30   2.861  -5.418 -16.851
  296    QG   ARG  30           QG       ARG  30   2.601  -3.040 -16.112
  297    QD   ARG  30           QD       ARG  30   4.315  -2.909 -17.669
  298    QH1  ARG  30           QH2      ARG  30   7.082  -2.224 -18.076
  299    QH2  ARG  30           QH1      ARG  30   8.016  -3.282 -15.176
  300    H    ASP  31           HN       ASP  31  -0.409  -5.798 -16.940
  301    HA   ASP  31           HA       ASP  31  -0.158  -8.715 -17.228
  302   1HB   ASP  31          2HB       ASP  31  -2.274  -7.456 -15.424
  303   2HB   ASP  31          3HB       ASP  31  -2.748  -8.806 -16.457
  304    QB   ASP  31           QB       ASP  31  -2.511  -8.131 -15.941
  305    H    HIS  32           HN       HIS  32  -3.060  -6.821 -17.301
  306    HA   HIS  32           HA       HIS  32  -3.022  -6.447 -20.237
  307   1HB   HIS  32          2HB       HIS  32  -4.441  -8.389 -19.745
  308   2HB   HIS  32          3HB       HIS  32  -5.326  -7.480 -18.517
  309    HD1  HIS  32           HD1      HIS  32  -5.146  -8.050 -22.276
  310    HD2  HIS  32           HD2      HIS  32  -7.237  -5.785 -19.388
  311    HE1  HIS  32           HE1      HIS  32  -7.259  -7.150 -23.436
  312    HE2  HIS  32           HE2      HIS  32  -8.512  -5.762 -21.675
  313    QB   HIS  32           QB       HIS  32  -4.883  -7.935 -19.131
  314    NH1  ARG  33           NH2      ARG  33  -4.207  -1.491 -15.269
  315    NH2  ARG  33           NH1      ARG  33  -4.414   0.771 -15.523
  316    H    ARG  33           HN       ARG  33  -4.598  -4.691 -20.664
  317    HA   ARG  33           HA       ARG  33  -4.693  -2.456 -20.650
  318   1HB   ARG  33          2HB       ARG  33  -6.052  -1.362 -19.001
  319   2HB   ARG  33          3HB       ARG  33  -6.780  -2.891 -19.483
  320   1HG   ARG  33          2HG       ARG  33  -6.480  -3.874 -17.423
  321   2HG   ARG  33          3HG       ARG  33  -5.016  -2.970 -17.093
  322   1HD   ARG  33          2HD       ARG  33  -7.776  -1.742 -16.968
  323   2HD   ARG  33          3HD       ARG  33  -6.929  -2.400 -15.575
  324    HE   ARG  33           HE       ARG  33  -6.577   0.182 -16.691
  325   1HH1  ARG  33          2HH2      ARG  33  -4.536  -2.437 -15.362
  326   2HH1  ARG  33          1HH2      ARG  33  -3.257  -1.322 -14.952
  327   1HH2  ARG  33          2HH1      ARG  33  -4.951   1.602 -15.733
  328   2HH2  ARG  33          1HH1      ARG  33  -3.474   0.849 -15.142
  329    QB   ARG  33           QB       ARG  33  -6.416  -2.127 -19.242
  330    QG   ARG  33           QG       ARG  33  -5.748  -3.422 -17.258
  331    QD   ARG  33           QD       ARG  33  -7.352  -2.071 -16.272
  332    QH1  ARG  33           QH2      ARG  33  -3.897  -1.879 -15.157
  333    QH2  ARG  33           QH1      ARG  33  -4.212   1.226 -15.438
  334    H    GLY  34           HN       GLY  34  -2.069  -3.560 -19.558
  335   1HA   GLY  34          1HA       GLY  34  -0.111  -2.255 -19.365
  336   2HA   GLY  34          2HA       GLY  34  -1.090  -0.839 -18.983
  337    QA   GLY  34           QA       GLY  34  -0.601  -1.547 -19.174
  338    H    THR  35           HN       THR  35   0.395  -0.475 -17.235
  339    HA   THR  35           HA       THR  35   0.697  -2.413 -15.157
  340    HB   THR  35           HB       THR  35   2.245  -0.466 -15.641
  341    HG1  THR  35          1HG       THR  35   1.466  -1.171 -13.014
  342   1HG2  THR  35          2HG2      THR  35   0.562   1.365 -15.508
  343   2HG2  THR  35          3HG2      THR  35   0.371   1.044 -13.767
  344   3HG2  THR  35          1HG2      THR  35   1.935   1.584 -14.403
  345    QG2  THR  35           QG2      THR  35   0.956   1.331 -14.559
  346    H    ILE  36           HN       ILE  36  -0.370  -2.738 -13.281
  347    HA   ILE  36           HA       ILE  36  -2.925  -1.314 -12.836
  348    HB   ILE  36           HB       ILE  36  -2.684  -3.914 -13.301
  349   1HG1  ILE  36          2HG1      ILE  36  -4.438  -2.972 -10.995
  350   2HG1  ILE  36          3HG1      ILE  36  -4.750  -2.562 -12.685
  351   1HG2  ILE  36          3HG2      ILE  36  -1.020  -4.351 -11.523
  352   2HG2  ILE  36          1HG2      ILE  36  -2.235  -3.917 -10.296
  353   3HG2  ILE  36          2HG2      ILE  36  -2.490  -5.307 -11.365
  354   1HD1  ILE  36          1HD1      ILE  36  -4.856  -4.978 -13.265
  355   2HD1  ILE  36          2HD1      ILE  36  -4.734  -5.374 -11.536
  356   3HD1  ILE  36          3HD1      ILE  36  -6.116  -4.447 -12.135
  357    QG1  ILE  36           QG1      ILE  36  -4.594  -2.767 -11.840
  358    QG2  ILE  36           QG2      ILE  36  -1.915  -4.525 -11.061
  359    QD1  ILE  36           QD1      ILE  36  -5.235  -4.933 -12.312
  360    H    ILE  37           HN       ILE  37  -3.135  -0.272 -10.876
  361    HA   ILE  37           HA       ILE  37  -0.991  -0.674  -8.830
  362    HB   ILE  37           HB       ILE  37  -2.964   1.608  -8.893
  363   1HG1  ILE  37          2HG1      ILE  37  -1.701   1.827 -10.982
  364   2HG1  ILE  37          3HG1      ILE  37  -1.292   3.086  -9.825
  365   1HG2  ILE  37          1HG2      ILE  37  -0.343   1.118  -7.428
  366   2HG2  ILE  37          2HG2      ILE  37  -1.182   2.676  -7.457
  367   3HG2  ILE  37          3HG2      ILE  37  -1.960   1.268  -6.735
  368   1HD1  ILE  37          2HD1      ILE  37   0.419   0.628 -10.400
  369   2HD1  ILE  37          3HD1      ILE  37   0.696   2.272 -10.994
  370   3HD1  ILE  37          1HD1      ILE  37   0.826   1.935  -9.260
  371    QG1  ILE  37           QG1      ILE  37  -1.497   2.456 -10.404
  372    QG2  ILE  37           QG2      ILE  37  -1.162   1.687  -7.206
  373    QD1  ILE  37           QD1      ILE  37   0.647   1.612 -10.218
  374    H    GLU  38           HN       GLU  38  -1.617  -1.276  -6.779
  375    HA   GLU  38           HA       GLU  38  -4.441  -1.367  -5.979
  376   1HB   GLU  38          2HB       GLU  38  -3.997  -3.604  -6.820
  377   2HB   GLU  38          3HB       GLU  38  -2.482  -3.717  -5.928
  378   1HG   GLU  38          2HG       GLU  38  -5.060  -3.310  -4.388
  379   2HG   GLU  38          3HG       GLU  38  -4.683  -4.895  -5.067
  380    QB   GLU  38           QB       GLU  38  -3.239  -3.660  -6.374
  381    QG   GLU  38           QG       GLU  38  -4.871  -4.102  -4.727
  382    NH1  ARG  39           NH2      ARG  39  -4.240   3.350  -6.572
  383    NH2  ARG  39           NH1      ARG  39  -2.678   5.037  -6.938
  384    H    ARG  39           HN       ARG  39  -4.470  -1.186  -3.479
  385    HA   ARG  39           HA       ARG  39  -1.954  -0.157  -2.353
  386   1HB   ARG  39          2HB       ARG  39  -4.622   1.358  -2.533
  387   2HB   ARG  39          3HB       ARG  39  -3.104   1.862  -1.782
  388   1HG   ARG  39          2HG       ARG  39  -2.072   1.855  -4.051
  389   2HG   ARG  39          3HG       ARG  39  -3.650   1.459  -4.735
  390   1HD   ARG  39          2HD       ARG  39  -4.632   3.499  -3.729
  391   2HD   ARG  39          3HD       ARG  39  -3.163   3.801  -2.830
  392    HE   ARG  39           HE       ARG  39  -2.320   4.900  -4.505
  393   1HH1  ARG  39          2HH2      ARG  39  -4.729   2.773  -5.887
  394   2HH1  ARG  39          1HH2      ARG  39  -4.655   3.390  -7.500
  395   1HH2  ARG  39          2HH1      ARG  39  -2.090   5.733  -6.456
  396   2HH2  ARG  39          1HH1      ARG  39  -2.808   5.070  -7.935
  397    QB   ARG  39           QB       ARG  39  -3.863   1.610  -2.157
  398    QG   ARG  39           QG       ARG  39  -2.861   1.657  -4.393
  399    QD   ARG  39           QD       ARG  39  -3.897   3.650  -3.280
  400    QH1  ARG  39           QH2      ARG  39  -4.692   3.081  -6.694
  401    QH2  ARG  39           QH1      ARG  39  -2.449   5.402  -7.196
  402    H    GLY  40           HN       GLY  40  -1.971  -0.271  -0.045
  403   1HA   GLY  40          1HA       GLY  40  -4.456  -0.244   1.327
  404   2HA   GLY  40          2HA       GLY  40  -3.817  -1.898   1.335
  405    QA   GLY  40           QA       GLY  40  -4.137  -1.071   1.331
  406    H    CYS  41           HN       CYS  41  -3.833  -1.435   3.695
  407    HA   CYS  41           HA       CYS  41  -1.800   0.394   4.733
  408   1HB   CYS  41          2HB       CYS  41  -3.158   0.170   6.768
  409   2HB   CYS  41          3HB       CYS  41  -4.146   0.600   5.371
  410    QB   CYS  41           QB       CYS  41  -3.652   0.385   6.069
  411    H    GLY  42           HN       GLY  42  -0.486  -0.419   6.632
  412   1HA   GLY  42          1HA       GLY  42   0.787  -2.067   7.680
  413   2HA   GLY  42          2HA       GLY  42  -0.071  -3.330   6.794
  414    QA   GLY  42           QA       GLY  42   0.358  -2.698   7.237
  415    H    CYS  43           HN       CYS  43   2.099  -4.203   6.402
  416    HA   CYS  43           HA       CYS  43   3.107  -3.364   3.790
  417   1HB   CYS  43          2HB       CYS  43   4.513  -1.961   5.204
  418   2HB   CYS  43          3HB       CYS  43   4.966  -3.367   6.181
  419    QB   CYS  43           QB       CYS  43   4.739  -2.664   5.692
  420    HA   PRO  44           HA       PRO  44   3.207  -7.918   4.637
  421   1HB   PRO  44          2HB       PRO  44   1.952  -8.809   2.402
  422   2HB   PRO  44          3HB       PRO  44   1.025  -8.126   3.776
  423   1HG   PRO  44          2HG       PRO  44   1.890  -6.701   1.240
  424   2HG   PRO  44          3HG       PRO  44   0.260  -6.727   1.972
  425   1HD   PRO  44          2HD       PRO  44   2.070  -4.708   2.374
  426   2HD   PRO  44          3HD       PRO  44   0.909  -5.185   3.650
  427    QB   PRO  44           QB       PRO  44   1.489  -8.467   3.089
  428    QG   PRO  44           QG       PRO  44   1.075  -6.714   1.606
  429    QD   PRO  44           QD       PRO  44   1.490  -4.946   3.012
  430    H    LYS  45           HN       LYS  45   4.593  -9.440   3.510
  431    HA   LYS  45           HA       LYS  45   6.232  -8.293   1.296
  432   1HB   LYS  45          2HB       LYS  45   7.492  -9.072   3.122
  433   2HB   LYS  45          3HB       LYS  45   6.779 -10.701   3.065
  434   1HG   LYS  45          2HG       LYS  45   7.783 -10.979   0.794
  435   2HG   LYS  45          3HG       LYS  45   8.522  -9.377   0.906
  436   1HD   LYS  45          2HD       LYS  45   9.070 -11.691   2.841
  437   2HD   LYS  45          3HD       LYS  45   9.947 -11.439   1.342
  438   1HE   LYS  45          2HE       LYS  45  11.287 -10.591   3.120
  439   2HE   LYS  45          3HE       LYS  45  10.785  -9.250   2.090
  440   1HZ   LYS  45          3HZ       LYS  45   9.494  -9.957   4.649
  441   2HZ   LYS  45          1HZ       LYS  45  10.658  -8.808   4.481
  442   3HZ   LYS  45          2HZ       LYS  45   9.215  -8.612   3.739
  443    QB   LYS  45           QB       LYS  45   7.136  -9.886   3.094
  444    QG   LYS  45           QG       LYS  45   8.153 -10.178   0.850
  445    QD   LYS  45           QD       LYS  45   9.509 -11.565   2.091
  446    QE   LYS  45           QE       LYS  45  11.036  -9.920   2.605
  447    QZ   LYS  45           QZ       LYS  45   9.789  -9.126   4.290
  448    H    VAL  46           HN       VAL  46   6.525  -9.608  -0.454
  449    HA   VAL  46           HA       VAL  46   4.375 -11.474  -1.245
  450    HB   VAL  46           HB       VAL  46   3.783  -9.839  -3.133
  451   1HG1  VAL  46          1HG1      VAL  46   2.334 -10.313  -1.150
  452   2HG1  VAL  46          2HG1      VAL  46   3.050  -8.909  -0.325
  453   3HG1  VAL  46          3HG1      VAL  46   2.122  -8.686  -1.800
  454   1HG2  VAL  46          2HG2      VAL  46   5.156  -7.822  -1.266
  455   2HG2  VAL  46          3HG2      VAL  46   5.657  -8.237  -2.921
  456   3HG2  VAL  46          1HG2      VAL  46   4.106  -7.418  -2.600
  457    QG1  VAL  46           QG1      VAL  46   2.502  -9.303  -1.092
  458    QG2  VAL  46           QG2      VAL  46   4.973  -7.826  -2.262
  459    QQG  VAL  46           QQG      VAL  46   3.737  -8.564  -1.677
  460    H    LYS  47           HN       LYS  47   4.718 -11.777  -3.857
  461    HA   LYS  47           HA       LYS  47   7.470 -12.812  -3.797
  462   1HB   LYS  47          2HB       LYS  47   4.978 -13.536  -5.242
  463   2HB   LYS  47          3HB       LYS  47   6.416 -13.893  -6.081
  464   1HG   LYS  47          2HG       LYS  47   7.275 -15.062  -3.958
  465   2HG   LYS  47          3HG       LYS  47   5.639 -14.935  -3.318
  466   1HD   LYS  47          2HD       LYS  47   6.528 -16.302  -5.922
  467   2HD   LYS  47          3HD       LYS  47   6.217 -17.152  -4.416
  468   1HE   LYS  47          2HE       LYS  47   4.128 -15.607  -6.043
  469   2HE   LYS  47          3HE       LYS  47   4.372 -17.353  -6.076
  470   1HZ   LYS  47          3HZ       LYS  47   3.790 -17.457  -3.764
  471   2HZ   LYS  47          1HZ       LYS  47   3.569 -15.827  -3.694
  472   3HZ   LYS  47          2HZ       LYS  47   2.584 -16.754  -4.626
  473    QB   LYS  47           QB       LYS  47   5.697 -13.715  -5.661
  474    QG   LYS  47           QG       LYS  47   6.457 -14.998  -3.638
  475    QD   LYS  47           QD       LYS  47   6.372 -16.727  -5.169
  476    QE   LYS  47           QE       LYS  47   4.250 -16.480  -6.060
  477    QZ   LYS  47           QZ       LYS  47   3.314 -16.679  -4.028
  478    HA   PRO  48           HA       PRO  48   9.129  -9.910  -6.441
  479   1HB   PRO  48          2HB       PRO  48  10.989 -11.264  -7.940
  480   2HB   PRO  48          3HB       PRO  48  11.097 -11.093  -6.165
  481   1HG   PRO  48          2HG       PRO  48  10.088 -13.454  -7.746
  482   2HG   PRO  48          3HG       PRO  48  11.159 -13.457  -6.315
  483   1HD   PRO  48          2HD       PRO  48   8.445 -13.918  -6.245
  484   2HD   PRO  48          3HD       PRO  48   9.291 -13.231  -4.854
  485    QB   PRO  48           QB       PRO  48  11.043 -11.179  -7.052
  486    QG   PRO  48           QG       PRO  48  10.623 -13.456  -7.031
  487    QD   PRO  48           QD       PRO  48   8.868 -13.574  -5.550
  488    H    GLY  49           HN       GLY  49   9.400  -9.077  -8.680
  489   1HA   GLY  49          1HA       GLY  49   8.897  -8.786 -10.872
  490   2HA   GLY  49          2HA       GLY  49   8.131 -10.374 -10.869
  491    QA   GLY  49           QA       GLY  49   8.514  -9.580 -10.870
  492    H    VAL  50           HN       VAL  50   6.396  -9.974  -8.700
  493    HA   VAL  50           HA       VAL  50   4.385  -8.041  -9.709
  494    HB   VAL  50           HB       VAL  50   4.172  -9.776  -7.188
  495   1HG1  VAL  50          1HG1      VAL  50   2.564  -7.773  -7.711
  496   2HG1  VAL  50          2HG1      VAL  50   2.048  -8.703  -9.117
  497   3HG1  VAL  50          3HG1      VAL  50   1.792  -9.363  -7.494
  498   1HG2  VAL  50          1HG2      VAL  50   3.411 -10.509 -10.047
  499   2HG2  VAL  50          2HG2      VAL  50   4.582 -11.349  -9.007
  500   3HG2  VAL  50          3HG2      VAL  50   2.869 -11.358  -8.588
  501    QG1  VAL  50           QG1      VAL  50   2.135  -8.613  -8.108
  502    QG2  VAL  50           QG2      VAL  50   3.621 -11.072  -9.214
  503    QQG  VAL  50           QQG      VAL  50   2.878  -9.843  -8.661
  504    H    GLY  51           HN       GLY  51   5.531  -6.086  -9.379
  505   1HA   GLY  51          1HA       GLY  51   7.244  -5.425  -7.333
  506   2HA   GLY  51          2HA       GLY  51   6.286  -4.235  -8.217
  507    QA   GLY  51           QA       GLY  51   6.765  -4.830  -7.775
  508    H    ILE  52           HN       ILE  52   6.959  -3.569  -5.782
  509    HA   ILE  52           HA       ILE  52   4.574  -3.434  -4.162
  510    HB   ILE  52           HB       ILE  52   5.395  -5.675  -3.497
  511   1HG1  ILE  52          2HG1      ILE  52   5.928  -5.363  -1.101
  512   2HG1  ILE  52          3HG1      ILE  52   6.144  -3.641  -1.341
  513   1HG2  ILE  52          1HG2      ILE  52   7.751  -5.456  -4.241
  514   2HG2  ILE  52          2HG2      ILE  52   8.069  -4.360  -2.879
  515   3HG2  ILE  52          3HG2      ILE  52   7.624  -6.049  -2.586
  516   1HD1  ILE  52          1HD1      ILE  52   3.714  -3.503  -2.021
  517   2HD1  ILE  52          2HD1      ILE  52   3.577  -5.249  -1.705
  518   3HD1  ILE  52          3HD1      ILE  52   3.962  -4.137  -0.385
  519    QG1  ILE  52           QG1      ILE  52   6.036  -4.502  -1.221
  520    QG2  ILE  52           QG2      ILE  52   7.815  -5.288  -3.236
  521    QD1  ILE  52           QD1      ILE  52   3.751  -4.296  -1.370
  522    H    HIS  53           HN       HIS  53   4.847  -1.707  -2.594
  523    HA   HIS  53           HA       HIS  53   7.546  -0.815  -1.962
  524   1HB   HIS  53          2HB       HIS  53   7.025   0.588  -3.966
  525   2HB   HIS  53          3HB       HIS  53   5.516   1.111  -3.200
  526    HD1  HIS  53           HD1      HIS  53   9.348   1.422  -2.720
  527    HD2  HIS  53           HD2      HIS  53   5.700   3.006  -1.300
  528    HE1  HIS  53           HE1      HIS  53   9.949   3.333  -1.107
  529    HE2  HIS  53           HE2      HIS  53   7.729   4.273  -0.248
  530    QB   HIS  53           QB       HIS  53   6.270   0.849  -3.583
  531    H    CYS  54           HN       CYS  54   7.514   0.106   0.174
  532    HA   CYS  54           HA       CYS  54   4.847   0.375   1.476
  533   1HB   CYS  54          2HB       CYS  54   7.362  -0.799   2.671
  534   2HB   CYS  54          3HB       CYS  54   5.907  -0.346   3.557
  535    QB   CYS  54           QB       CYS  54   6.635  -0.572   3.114
  536    H    CYS  55           HN       CYS  55   4.749   2.025   3.130
  537    HA   CYS  55           HA       CYS  55   7.031   3.802   3.425
  538   1HB   CYS  55          2HB       CYS  55   5.747   5.789   2.686
  539   2HB   CYS  55          3HB       CYS  55   6.162   4.676   1.399
  540    QB   CYS  55           QB       CYS  55   5.954   5.233   2.043
  541    H    GLN  56           HN       GLN  56   6.449   5.595   4.888
  542    HA   GLN  56           HA       GLN  56   5.007   4.377   7.197
  543   1HB   GLN  56          2HB       GLN  56   7.284   3.687   7.206
  544   2HB   GLN  56          3HB       GLN  56   7.867   5.301   6.812
  545   1HG   GLN  56          2HG       GLN  56   8.398   4.521   9.087
  546   2HG   GLN  56          3HG       GLN  56   7.594   6.075   9.044
  547   1HE2  GLN  56          2HE2      GLN  56   5.983   4.460  11.861
  548   2HE2  GLN  56          1HE2      GLN  56   7.405   5.375  11.411
  549    QB   GLN  56           QB       GLN  56   7.575   4.494   7.009
  550    QG   GLN  56           QG       GLN  56   7.996   5.298   9.065
  551    QE2  GLN  56           QE2      GLN  56   6.694   4.918  11.636
  552    H    SER  57           HN       SER  57   3.988   6.560   5.636
  553    HA   SER  57           HA       SER  57   3.685   8.469   7.883
  554   1HB   SER  57          2HB       SER  57   3.672   9.471   5.018
  555   2HB   SER  57          3HB       SER  57   3.547  10.383   6.520
  556    HG   SER  57           HG       SER  57   5.677  10.404   5.631
  557    QB   SER  57           QB       SER  57   3.609   9.927   5.769
  558    H    ASP  58           HN       ASP  58   1.419   9.548   7.689
  559    HA   ASP  58           HA       ASP  58  -0.528   7.502   6.977
  560   1HB   ASP  58          2HB       ASP  58  -2.132   9.290   7.618
  561   2HB   ASP  58          3HB       ASP  58  -0.944   9.070   8.906
  562    QB   ASP  58           QB       ASP  58  -1.538   9.180   8.262
  563    H    LYS  59           HN       LYS  59  -1.924   7.715   5.228
  564    HA   LYS  59           HA       LYS  59  -2.450   8.077   3.031
  565   1HB   LYS  59          2HB       LYS  59  -1.695  10.980   3.429
  566   2HB   LYS  59          3HB       LYS  59  -3.063  10.307   2.538
  567   1HG   LYS  59          2HG       LYS  59  -4.103   9.681   4.773
  568   2HG   LYS  59          3HG       LYS  59  -2.705  10.387   5.574
  569   1HD   LYS  59          2HD       LYS  59  -4.235  12.080   5.767
  570   2HD   LYS  59          3HD       LYS  59  -3.115  12.572   4.513
  571   1HE   LYS  59          2HE       LYS  59  -5.324  13.186   3.792
  572   2HE   LYS  59          3HE       LYS  59  -4.792  11.859   2.758
  573   1HZ   LYS  59          1HZ       LYS  59  -6.118  10.379   4.181
  574   2HZ   LYS  59          2HZ       LYS  59  -6.625  11.664   5.070
  575   3HZ   LYS  59          3HZ       LYS  59  -7.050  11.529   3.490
  576    QB   LYS  59           QB       LYS  59  -2.379  10.643   2.983
  577    QG   LYS  59           QG       LYS  59  -3.404  10.034   5.173
  578    QD   LYS  59           QD       LYS  59  -3.675  12.326   5.140
  579    QE   LYS  59           QE       LYS  59  -5.058  12.522   3.275
  580    QZ   LYS  59           QZ       LYS  59  -6.598  11.191   4.247
  581    H    CYS  60           HN       CYS  60   0.366   7.354   3.502
  582    HA   CYS  60           HA       CYS  60   1.926   9.002   1.688
  583   1HB   CYS  60          2HB       CYS  60   3.783   7.693   2.376
  584   2HB   CYS  60          3HB       CYS  60   2.747   8.024   3.767
  585    QB   CYS  60           QB       CYS  60   3.265   7.859   3.071
  586    H    ASN  61           HN       ASN  61   0.152   5.959   1.426
  587    HA   ASN  61           HA       ASN  61   1.668   5.103  -0.920
  588   1HB   ASN  61          2HB       ASN  61   0.334   3.109  -0.819
  589   2HB   ASN  61          3HB       ASN  61   1.013   3.473   0.773
  590   1HD2  ASN  61          2HD2      ASN  61  -2.816   2.629   0.695
  591   2HD2  ASN  61          1HD2      ASN  61  -1.387   1.847   0.002
  592    QB   ASN  61           QB       ASN  61   0.673   3.291  -0.023
  593    QD2  ASN  61           QD2      ASN  61  -2.102   2.238   0.349
  594    OH   TYR  62           OH       TYR  62  -3.824  12.574  -6.246
  595    H    TYR  62           HN       TYR  62   0.750   7.450  -1.711
  596    HA   TYR  62           HA       TYR  62  -1.927   7.477  -2.699
  597   1HB   TYR  62          2HB       TYR  62  -0.497   9.503  -2.259
  598   2HB   TYR  62          3HB       TYR  62   0.439   9.027  -3.694
  599    HD1  TYR  62           HD2      TYR  62  -3.304   9.200  -3.248
  600    HD2  TYR  62           HD1      TYR  62   0.206  10.788  -5.179
  601    HE1  TYR  62           HE2      TYR  62  -4.715  10.764  -4.524
  602    HE2  TYR  62           HE1      TYR  62  -1.215  12.359  -6.450
  603    HH   TYR  62           HH       TYR  62  -4.744  12.579  -5.976
  604    QB   TYR  62           QB       TYR  62  -0.029   9.265  -2.977
  605    QR   TYR  62           QR       TYR  62  -2.257  10.778  -4.850
   
  Start of MODEL           7
 Raw file had 605 H/Q atoms
  Start of MODEL    7
    1    NH1  ARG   1           NH2      ARG   1   1.215   7.758  10.144
    2    NH2  ARG   1           NH1      ARG   1   2.885   6.168   9.864
    3    H    ARG   1           HN       ARG   1  -4.645   5.538  12.428
    4    HA   ARG   1           HA       ARG   1  -2.911   6.338  10.964
    5   1HB   ARG   1          2HB       ARG   1  -1.543   4.260  11.105
    6   2HB   ARG   1          3HB       ARG   1  -2.778   3.369  10.211
    7   1HG   ARG   1          2HG       ARG   1  -0.953   3.780   8.729
    8   2HG   ARG   1          3HG       ARG   1  -2.301   4.757   8.194
    9   1HD   ARG   1          2HD       ARG   1  -0.671   6.362   8.105
   10   2HD   ARG   1          3HD       ARG   1  -1.133   6.571   9.800
   11    HE   ARG   1           HE       ARG   1   1.054   4.668   9.239
   12   1HH1  ARG   1          2HH2      ARG   1   0.233   8.055  10.077
   13   2HH1  ARG   1          1HH2      ARG   1   1.865   8.498  10.360
   14   1HH2  ARG   1          2HH1      ARG   1   3.128   5.196   9.657
   15   2HH2  ARG   1          1HH1      ARG   1   3.649   6.837   9.872
   16    QB   ARG   1           QB       ARG   1  -2.160   3.815  10.658
   17    QG   ARG   1           QG       ARG   1  -1.627   4.269   8.461
   18    QD   ARG   1           QD       ARG   1  -0.902   6.467   8.952
   19    QH1  ARG   1           QH2      ARG   1   1.049   8.276  10.219
   20    QH2  ARG   1           QH1      ARG   1   3.388   6.017   9.764
   21    H    ILE   2           HN       ILE   2  -3.385   6.848   8.607
   22    HA   ILE   2           HA       ILE   2  -5.804   5.604   7.505
   23    HB   ILE   2           HB       ILE   2  -5.408   8.608   7.655
   24   1HG1  ILE   2          2HG1      ILE   2  -7.454   6.803   9.034
   25   2HG1  ILE   2          3HG1      ILE   2  -6.168   7.738   9.821
   26   1HG2  ILE   2          2HG2      ILE   2  -6.438   7.862   5.520
   27   2HG2  ILE   2          3HG2      ILE   2  -7.697   7.005   6.435
   28   3HG2  ILE   2          1HG2      ILE   2  -7.571   8.775   6.491
   29   1HD1  ILE   2          3HD1      ILE   2  -7.247   9.833   8.981
   30   2HD1  ILE   2          1HD1      ILE   2  -8.632   8.839   8.446
   31   3HD1  ILE   2          2HD1      ILE   2  -8.199   8.899  10.157
   32    QG1  ILE   2           QG1      ILE   2  -6.811   7.270   9.427
   33    QG2  ILE   2           QG2      ILE   2  -7.235   7.881   6.148
   34    QD1  ILE   2           QD1      ILE   2  -8.026   9.190   9.195
   35    H    CYS   3           HN       CYS   3  -5.612   5.209   5.359
   36    HA   CYS   3           HA       CYS   3  -3.392   6.418   3.834
   37   1HB   CYS   3          2HB       CYS   3  -3.370   3.615   4.929
   38   2HB   CYS   3          3HB       CYS   3  -2.626   3.925   3.367
   39    QB   CYS   3           QB       CYS   3  -2.998   3.770   4.148
   40    OH   TYR   4           OH       TYR   4  -4.168  11.594  -1.129
   41    H    TYR   4           HN       TYR   4  -3.281   5.592   1.617
   42    HA   TYR   4           HA       TYR   4  -5.931   5.811   0.475
   43   1HB   TYR   4          2HB       TYR   4  -3.166   5.537  -0.696
   44   2HB   TYR   4          3HB       TYR   4  -4.614   5.566  -1.675
   45    HD1  TYR   4           HD1      TYR   4  -6.252   7.573  -1.384
   46    HD2  TYR   4           HD2      TYR   4  -2.101   7.647  -0.223
   47    HE1  TYR   4           HE1      TYR   4  -6.270  10.030  -1.513
   48    HE2  TYR   4           HE2      TYR   4  -2.083  10.110  -0.572
   49    HH   TYR   4           HH       TYR   4  -5.001  11.960  -1.432
   50    QB   TYR   4           QB       TYR   4  -3.890   5.552  -1.186
   51    QR   TYR   4           QR       TYR   4  -4.177   8.840  -0.923
   52    H    ASN   5           HN       ASN   5  -7.030   4.321  -0.745
   53    HA   ASN   5           HA       ASN   5  -5.973   1.578  -1.094
   54   1HB   ASN   5          2HB       ASN   5  -7.771   0.494  -0.070
   55   2HB   ASN   5          3HB       ASN   5  -7.162   1.653   1.113
   56   1HD2  ASN   5          2HD2      ASN   5 -11.012   1.707   0.688
   57   2HD2  ASN   5          1HD2      ASN   5  -9.913   0.345   0.715
   58    QB   ASN   5           QB       ASN   5  -7.466   1.074   0.522
   59    QD2  ASN   5           QD2      ASN   5 -10.463   1.026   0.701
   60    H    HIS   6           HN       HIS   6  -6.338   3.664  -2.987
   61    HA   HIS   6           HA       HIS   6  -8.749   2.818  -4.541
   62   1HB   HIS   6          2HB       HIS   6  -8.249   4.606  -6.075
   63   2HB   HIS   6          3HB       HIS   6  -8.475   5.197  -4.446
   64    HD1  HIS   6           HD1      HIS   6  -5.902   5.030  -7.247
   65    HD2  HIS   6           HD2      HIS   6  -6.218   6.213  -3.213
   66    HE1  HIS   6           HE1      HIS   6  -3.839   6.613  -6.709
   67    HE2  HIS   6           HE2      HIS   6  -3.965   7.136  -4.309
   68    QB   HIS   6           QB       HIS   6  -8.362   4.901  -5.261
   69    H    GLN   7           HN       GLN   7  -8.382   2.278  -6.864
   70    HA   GLN   7           HA       GLN   7  -6.041   0.552  -7.193
   71   1HB   GLN   7          2HB       GLN   7  -8.074   1.178  -9.339
   72   2HB   GLN   7          3HB       GLN   7  -7.069  -0.235  -9.110
   73   1HG   GLN   7          2HG       GLN   7  -8.466  -0.954  -7.210
   74   2HG   GLN   7          3HG       GLN   7  -9.433   0.529  -7.342
   75   1HE2  GLN   7          2HE2      GLN   7 -11.665  -1.230  -9.418
   76   2HE2  GLN   7          1HE2      GLN   7 -11.447  -0.369  -7.905
   77    QB   GLN   7           QB       GLN   7  -7.571   0.471  -9.224
   78    QG   GLN   7           QG       GLN   7  -8.949  -0.213  -7.276
   79    QE2  GLN   7           QE2      GLN   7 -11.556  -0.800  -8.662
   80    H    SER   8           HN       SER   8  -5.045   0.825  -9.536
   81    HA   SER   8           HA       SER   8  -3.996   3.350 -10.278
   82   1HB   SER   8          2HB       SER   8  -4.318   1.902 -12.621
   83   2HB   SER   8          3HB       SER   8  -2.994   1.665 -11.488
   84    HG   SER   8           HG       SER   8  -5.453   0.235 -11.526
   85    QB   SER   8           QB       SER   8  -3.656   1.784 -12.054
   86    H    THR   9           HN       THR   9  -4.782   4.871 -11.723
   87    HA   THR   9           HA       THR   9  -6.294   6.210 -12.743
   88    HB   THR   9           HB       THR   9  -7.047   3.641 -14.161
   89    HG1  THR   9          1HG       THR   9  -4.971   3.709 -15.087
   90   1HG2  THR   9          3HG2      THR   9  -7.804   5.849 -15.121
   91   2HG2  THR   9          1HG2      THR   9  -6.110   6.369 -15.187
   92   3HG2  THR   9          2HG2      THR   9  -6.662   5.008 -16.177
   93    QG2  THR   9           QG2      THR   9  -6.859   5.742 -15.495
   94    H    THR  10           HN       THR  10  -7.518   5.484 -10.296
   95    HA   THR  10           HA       THR  10 -10.392   5.591 -11.064
   96    HB   THR  10           HB       THR  10 -10.760   4.040  -9.007
   97    HG1  THR  10          1HG       THR  10  -8.167   3.202  -9.739
   98   1HG2  THR  10          3HG2      THR  10  -9.550   2.850 -11.548
   99   2HG2  THR  10          1HG2      THR  10 -10.514   1.984 -10.347
  100   3HG2  THR  10          2HG2      THR  10 -11.247   3.288 -11.303
  101    QG2  THR  10           QG2      THR  10 -10.437   2.708 -11.066
  102    NH1  ARG  11           NH2      ARG  11 -14.471   8.572  -3.457
  103    NH2  ARG  11           NH1      ARG  11 -15.863  10.415  -3.255
  104    H    ARG  11           HN       ARG  11 -11.754   6.254  -9.271
  105    HA   ARG  11           HA       ARG  11 -11.065   8.722  -8.203
  106   1HB   ARG  11          2HB       ARG  11 -13.360   7.800  -8.489
  107   2HB   ARG  11          3HB       ARG  11 -13.067   6.684  -7.142
  108   1HG   ARG  11          2HG       ARG  11 -12.741   8.655  -5.628
  109   2HG   ARG  11          3HG       ARG  11 -13.079   9.736  -6.990
  110   1HD   ARG  11          2HD       ARG  11 -15.317   8.757  -7.259
  111   2HD   ARG  11          3HD       ARG  11 -15.032   7.608  -5.958
  112    HE   ARG  11           HE       ARG  11 -15.801  10.392  -5.768
  113   1HH1  ARG  11          2HH2      ARG  11 -13.908   7.974  -4.044
  114   2HH1  ARG  11          1HH2      ARG  11 -14.379   8.482  -2.457
  115   1HH2  ARG  11          2HH1      ARG  11 -16.426  11.141  -3.674
  116   2HH2  ARG  11          1HH1      ARG  11 -15.826  10.363  -2.248
  117    QB   ARG  11           QB       ARG  11 -13.214   7.242  -7.815
  118    QG   ARG  11           QG       ARG  11 -12.910   9.196  -6.309
  119    QD   ARG  11           QD       ARG  11 -15.175   8.182  -6.609
  120    QH1  ARG  11           QH2      ARG  11 -14.143   8.228  -3.251
  121    QH2  ARG  11           QH1      ARG  11 -16.126  10.752  -2.961
  122    H    ALA  12           HN       ALA  12  -9.890   9.370  -6.461
  123    HA   ALA  12           HA       ALA  12  -8.346   7.576  -4.922
  124   1HB   ALA  12          2HB       ALA  12  -7.731   9.919  -5.305
  125   2HB   ALA  12          3HB       ALA  12  -9.109  10.458  -4.318
  126   3HB   ALA  12          1HB       ALA  12  -7.780   9.547  -3.567
  127    QB   ALA  12           QB       ALA  12  -8.207   9.975  -4.397
  128    H    THR  13           HN       THR  13  -8.631   6.642  -2.908
  129    HA   THR  13           HA       THR  13 -10.916   7.300  -1.215
  130    HB   THR  13           HB       THR  13 -11.398   4.850  -0.931
  131    HG1  THR  13          1HG       THR  13  -9.713   3.798  -1.732
  132   1HG2  THR  13          1HG2      THR  13 -12.834   6.243  -2.433
  133   2HG2  THR  13          2HG2      THR  13 -11.816   5.751  -3.812
  134   3HG2  THR  13          3HG2      THR  13 -12.746   4.538  -2.922
  135    QG2  THR  13           QG2      THR  13 -12.465   5.511  -3.056
  136    H    THR  14           HN       THR  14 -10.386   6.894   0.942
  137    HA   THR  14           HA       THR  14  -7.772   5.682   1.577
  138    HB   THR  14           HB       THR  14  -7.726   7.408   3.479
  139    HG1  THR  14          1HG       THR  14  -9.967   8.065   2.999
  140   1HG2  THR  14          1HG2      THR  14  -7.363   8.365   0.621
  141   2HG2  THR  14          2HG2      THR  14  -6.890   9.326   2.024
  142   3HG2  THR  14          3HG2      THR  14  -6.111   7.764   1.737
  143    QG2  THR  14           QG2      THR  14  -6.788   8.485   1.461
  144    H    LYS  15           HN       LYS  15  -7.792   4.605   3.650
  145    HA   LYS  15           HA       LYS  15 -10.298   4.662   5.153
  146   1HB   LYS  15          2HB       LYS  15 -10.286   2.225   5.344
  147   2HB   LYS  15          3HB       LYS  15 -10.701   2.813   3.735
  148   1HG   LYS  15          2HG       LYS  15  -9.421   0.886   3.439
  149   2HG   LYS  15          3HG       LYS  15  -8.386   2.239   2.977
  150   1HD   LYS  15          2HD       LYS  15  -7.063   2.056   4.957
  151   2HD   LYS  15          3HD       LYS  15  -8.228   0.999   5.762
  152   1HE   LYS  15          2HE       LYS  15  -6.792   0.196   3.191
  153   2HE   LYS  15          3HE       LYS  15  -6.050  -0.009   4.773
  154   1HZ   LYS  15          2HZ       LYS  15  -8.622  -1.213   4.010
  155   2HZ   LYS  15          3HZ       LYS  15  -7.178  -1.995   4.082
  156   3HZ   LYS  15          1HZ       LYS  15  -7.850  -1.393   5.451
  157    QB   LYS  15           QB       LYS  15 -10.494   2.519   4.540
  158    QG   LYS  15           QG       LYS  15  -8.904   1.563   3.208
  159    QD   LYS  15           QD       LYS  15  -7.646   1.527   5.360
  160    QE   LYS  15           QE       LYS  15  -6.421   0.094   3.982
  161    QZ   LYS  15           QZ       LYS  15  -7.883  -1.534   4.514
  162    H    SER  16           HN       SER  16  -9.975   3.633   7.303
  163    HA   SER  16           HA       SER  16  -7.379   4.497   8.354
  164   1HB   SER  16          2HB       SER  16  -9.516   5.276   9.399
  165   2HB   SER  16          3HB       SER  16  -9.767   3.610   9.973
  166    HG   SER  16           HG       SER  16  -7.327   5.001  10.433
  167    QB   SER  16           QB       SER  16  -9.642   4.443   9.686
  168    H    CYS  17           HN       CYS  17  -6.215   3.151   9.889
  169    HA   CYS  17           HA       CYS  17  -6.556   0.238   9.984
  170   1HB   CYS  17          2HB       CYS  17  -4.622   1.454   8.136
  171   2HB   CYS  17          3HB       CYS  17  -4.158   0.070   9.129
  172    QB   CYS  17           QB       CYS  17  -4.390   0.762   8.633
  173    H    GLU  20           HN       GLU  20  -4.648  -0.650  11.354
  174    HA   GLU  20           HA       GLU  20  -4.140   1.298  13.517
  175   1HB   GLU  20          2HB       GLU  20  -3.582  -0.650  14.836
  176   2HB   GLU  20          3HB       GLU  20  -5.197  -0.754  14.111
  177   1HG   GLU  20          2HG       GLU  20  -4.408  -2.369  12.445
  178   2HG   GLU  20          3HG       GLU  20  -2.758  -2.247  13.082
  179    QB   GLU  20           QB       GLU  20  -4.390  -0.702  14.474
  180    QG   GLU  20           QG       GLU  20  -3.583  -2.308  12.763
  181    H    GLU  21           HN       GLU  21  -2.411  -0.798  11.195
  182    HA   GLU  21           HA       GLU  21   0.111  -0.676  12.255
  183   1HB   GLU  21          2HB       GLU  21  -0.421  -0.561   9.275
  184   2HB   GLU  21          3HB       GLU  21   0.971  -1.249  10.099
  185   1HG   GLU  21          2HG       GLU  21  -0.132  -3.184   9.648
  186   2HG   GLU  21          3HG       GLU  21  -0.827  -2.856  11.224
  187    QB   GLU  21           QB       GLU  21   0.275  -0.905   9.687
  188    QG   GLU  21           QG       GLU  21  -0.479  -3.020  10.436
  189    H    ASN  22           HN       ASN  22   1.933   0.538  11.939
  190    HA   ASN  22           HA       ASN  22   1.619   3.398  11.447
  191   1HB   ASN  22          2HB       ASN  22   3.258   2.520  13.088
  192   2HB   ASN  22          3HB       ASN  22   4.162   1.762  11.765
  193   1HD2  ASN  22          2HD2      ASN  22   4.731   5.698  12.536
  194   2HD2  ASN  22          1HD2      ASN  22   3.786   4.669  13.587
  195    QB   ASN  22           QB       ASN  22   3.710   2.141  12.426
  196    QD2  ASN  22           QD2      ASN  22   4.259   5.184  13.062
  197    H    SER  23           HN       SER  23   2.707   0.529   9.611
  198    HA   SER  23           HA       SER  23   3.910   2.006   7.440
  199   1HB   SER  23          2HB       SER  23   3.485  -0.777   6.922
  200   2HB   SER  23          3HB       SER  23   4.997  -0.011   7.461
  201    HG   SER  23           HG       SER  23   4.344  -1.656   8.905
  202    QB   SER  23           QB       SER  23   4.241  -0.394   7.192
  203    H    CYS  24           HN       CYS  24   3.229   1.839   5.249
  204    HA   CYS  24           HA       CYS  24   0.622   0.645   4.644
  205   1HB   CYS  24          2HB       CYS  24   1.266   3.563   4.040
  206   2HB   CYS  24          3HB       CYS  24  -0.115   2.670   3.413
  207    QB   CYS  24           QB       CYS  24   0.576   3.117   3.726
  208    OH   TYR  25           OH       TYR  25  -3.196  -4.473   0.601
  209    H    TYR  25           HN       TYR  25   0.431   0.112   2.476
  210    HA   TYR  25           HA       TYR  25   3.012  -0.058   1.023
  211   1HB   TYR  25          2HB       TYR  25   2.407  -2.237   0.311
  212   2HB   TYR  25          3HB       TYR  25   2.237  -2.174   2.054
  213    HD1  TYR  25           HD1      TYR  25   0.273  -2.134  -1.161
  214    HD2  TYR  25           HD2      TYR  25   0.145  -2.681   3.105
  215    HE1  TYR  25           HE1      TYR  25  -1.867  -3.343  -1.381
  216    HE2  TYR  25           HE2      TYR  25  -1.952  -3.957   2.883
  217    HH   TYR  25           HH       TYR  25  -3.580  -4.738   1.441
  218    QB   TYR  25           QB       TYR  25   2.322  -2.206   1.182
  219    QR   TYR  25           QR       TYR  25  -0.850  -3.029   0.861
  220    H    LYS  26           HN       LYS  26   2.993  -0.243  -1.195
  221    HA   LYS  26           HA       LYS  26   0.460   0.083  -2.656
  222   1HB   LYS  26          2HB       LYS  26   1.788   2.223  -2.605
  223   2HB   LYS  26          3HB       LYS  26   3.093   1.404  -3.478
  224   1HG   LYS  26          2HG       LYS  26   1.668   1.077  -5.422
  225   2HG   LYS  26          3HG       LYS  26   0.225   1.457  -4.485
  226   1HD   LYS  26          2HD       LYS  26   0.487   3.426  -5.587
  227   2HD   LYS  26          3HD       LYS  26   1.290   3.782  -4.071
  228   1HE   LYS  26          2HE       LYS  26   3.509   3.286  -5.216
  229   2HE   LYS  26          3HE       LYS  26   2.616   3.048  -6.725
  230   1HZ   LYS  26          2HZ       LYS  26   1.762   5.321  -6.453
  231   2HZ   LYS  26          3HZ       LYS  26   2.691   5.534  -5.141
  232   3HZ   LYS  26          1HZ       LYS  26   3.410   5.287  -6.609
  233    QB   LYS  26           QB       LYS  26   2.440   1.813  -3.042
  234    QG   LYS  26           QG       LYS  26   0.947   1.267  -4.953
  235    QD   LYS  26           QD       LYS  26   0.889   3.604  -4.829
  236    QE   LYS  26           QE       LYS  26   3.062   3.167  -5.971
  237    QZ   LYS  26           QZ       LYS  26   2.621   5.381  -6.067
  238    H    LYS  27           HN       LYS  27   0.296  -1.651  -4.086
  239    HA   LYS  27           HA       LYS  27   2.696  -3.376  -4.611
  240   1HB   LYS  27          2HB       LYS  27  -0.203  -4.109  -4.039
  241   2HB   LYS  27          3HB       LYS  27   0.945  -5.222  -4.800
  242   1HG   LYS  27          2HG       LYS  27   2.410  -5.171  -2.897
  243   2HG   LYS  27          3HG       LYS  27   1.431  -3.925  -2.099
  244   1HD   LYS  27          2HD       LYS  27  -0.544  -5.498  -2.153
  245   2HD   LYS  27          3HD       LYS  27   0.514  -6.777  -2.753
  246   1HE   LYS  27          2HE       LYS  27   0.760  -5.257  -0.107
  247   2HE   LYS  27          3HE       LYS  27   0.142  -6.906  -0.280
  248   1HZ   LYS  27          1HZ       LYS  27   2.860  -6.226  -1.155
  249   2HZ   LYS  27          2HZ       LYS  27   2.567  -6.552   0.410
  250   3HZ   LYS  27          3HZ       LYS  27   2.290  -7.703  -0.689
  251    QB   LYS  27           QB       LYS  27   0.371  -4.665  -4.419
  252    QG   LYS  27           QG       LYS  27   1.921  -4.548  -2.498
  253    QD   LYS  27           QD       LYS  27  -0.015  -6.138  -2.453
  254    QE   LYS  27           QE       LYS  27   0.451  -6.082  -0.194
  255    QZ   LYS  27           QZ       LYS  27   2.572  -6.827  -0.478
  256    OH   TYR  28           OH       TYR  28   7.324   0.115  -6.345
  257    H    TYR  28           HN       TYR  28   2.930  -3.940  -6.872
  258    HA   TYR  28           HA       TYR  28   0.806  -3.033  -8.664
  259   1HB   TYR  28          2HB       TYR  28   2.672  -1.624  -9.783
  260   2HB   TYR  28          3HB       TYR  28   1.802  -0.988  -8.386
  261    HD1  TYR  28           HD2      TYR  28   2.861  -0.661  -6.237
  262    HD2  TYR  28           HD1      TYR  28   5.091  -2.177  -9.592
  263    HE1  TYR  28           HE2      TYR  28   4.937   0.261  -5.265
  264    HE2  TYR  28           HE1      TYR  28   7.179  -1.290  -8.600
  265    HH   TYR  28           HH       TYR  28   8.130  -0.167  -6.782
  266    QB   TYR  28           QB       TYR  28   2.237  -1.306  -9.085
  267    QR   TYR  28           QR       TYR  28   5.017  -0.967  -7.423
  268    CH2  TRP  29           CH2      TRP  29  -2.622  -6.284  -7.705
  269    H    TRP  29           HN       TRP  29   0.919  -3.721 -10.793
  270    HA   TRP  29           HA       TRP  29   3.192  -5.316 -11.670
  271   1HB   TRP  29          2HB       TRP  29   1.813  -7.312 -12.073
  272   2HB   TRP  29          3HB       TRP  29   2.106  -6.990 -10.379
  273    HD1  TRP  29           HD1      TRP  29  -0.628  -7.313 -12.956
  274    HE1  TRP  29           HE1      TRP  29  -2.918  -7.365 -11.850
  275    HE3  TRP  29           HE3      TRP  29   0.721  -5.889  -8.207
  276    HZ2  TRP  29           HZ2      TRP  29  -4.038  -6.922  -9.209
  277    HZ3  TRP  29           HZ3      TRP  29  -0.987  -5.659  -6.449
  278    HH2  TRP  29           HH2      TRP  29  -3.361  -6.208  -6.920
  279    QB   TRP  29           QB       TRP  29   1.960  -7.151 -11.226
  280    NH1  ARG  30           NH2      ARG  30   7.860  -5.524 -16.611
  281    NH2  ARG  30           NH1      ARG  30   7.673  -7.598 -17.627
  282    H    ARG  30           HN       ARG  30   3.249  -5.542 -13.833
  283    HA   ARG  30           HA       ARG  30   1.936  -3.716 -15.513
  284   1HB   ARG  30          2HB       ARG  30   3.155  -6.329 -16.436
  285   2HB   ARG  30          3HB       ARG  30   3.016  -4.795 -17.273
  286   1HG   ARG  30          2HG       ARG  30   5.155  -4.432 -16.698
  287   2HG   ARG  30          3HG       ARG  30   4.503  -3.981 -15.131
  288   1HD   ARG  30          2HD       ARG  30   6.174  -5.547 -14.535
  289   2HD   ARG  30          3HD       ARG  30   4.750  -6.561 -14.559
  290    HE   ARG  30           HE       ARG  30   5.488  -7.707 -16.379
  291   1HH1  ARG  30          2HH2      ARG  30   7.464  -4.813 -16.016
  292   2HH1  ARG  30          1HH2      ARG  30   8.754  -5.352 -17.046
  293   1HH2  ARG  30          2HH1      ARG  30   7.173  -8.463 -17.781
  294   2HH2  ARG  30          1HH1      ARG  30   8.556  -7.470 -18.098
  295    QB   ARG  30           QB       ARG  30   3.085  -5.562 -16.855
  296    QG   ARG  30           QG       ARG  30   4.829  -4.206 -15.915
  297    QD   ARG  30           QD       ARG  30   5.462  -6.054 -14.547
  298    QH1  ARG  30           QH2      ARG  30   8.109  -5.082 -16.531
  299    QH2  ARG  30           QH1      ARG  30   7.865  -7.966 -17.939
  300    H    ASP  31           HN       ASP  31   0.088  -3.930 -16.830
  301    HA   ASP  31           HA       ASP  31  -1.462  -6.490 -16.647
  302   1HB   ASP  31          2HB       ASP  31  -2.218  -5.057 -14.903
  303   2HB   ASP  31          3HB       ASP  31  -2.433  -3.677 -15.994
  304    QB   ASP  31           QB       ASP  31  -2.325  -4.367 -15.448
  305    H    HIS  32           HN       HIS  32  -2.446  -3.372 -18.105
  306    HA   HIS  32           HA       HIS  32  -1.559  -4.233 -20.734
  307   1HB   HIS  32          2HB       HIS  32  -3.880  -3.831 -21.716
  308   2HB   HIS  32          3HB       HIS  32  -3.516  -5.377 -20.968
  309    HD1  HIS  32           HD1      HIS  32  -4.779  -2.039 -19.509
  310    HD2  HIS  32           HD2      HIS  32  -5.120  -6.159 -19.105
  311    HE1  HIS  32           HE1      HIS  32  -6.172  -2.453 -17.434
  312    HE2  HIS  32           HE2      HIS  32  -6.085  -4.890 -17.117
  313    QB   HIS  32           QB       HIS  32  -3.698  -4.604 -21.342
  314    NH1  ARG  33           NH2      ARG  33  -3.864   3.191 -20.593
  315    NH2  ARG  33           NH1      ARG  33  -2.546   4.658 -21.806
  316    H    ARG  33           HN       ARG  33  -1.040  -2.600 -21.872
  317    HA   ARG  33           HA       ARG  33  -0.048  -0.548 -22.033
  318   1HB   ARG  33          2HB       ARG  33  -1.501   1.176 -22.816
  319   2HB   ARG  33          3HB       ARG  33  -1.941  -0.367 -23.541
  320   1HG   ARG  33          2HG       ARG  33  -3.934  -0.572 -22.296
  321   2HG   ARG  33          3HG       ARG  33  -3.438   0.595 -21.080
  322   1HD   ARG  33          2HD       ARG  33  -4.192   1.187 -23.965
  323   2HD   ARG  33          3HD       ARG  33  -5.162   1.582 -22.551
  324    HE   ARG  33           HE       ARG  33  -3.017   3.094 -23.706
  325   1HH1  ARG  33          2HH2      ARG  33  -4.398   2.338 -20.558
  326   2HH1  ARG  33          1HH2      ARG  33  -3.707   3.703 -19.738
  327   1HH2  ARG  33          2HH1      ARG  33  -2.095   4.931 -22.667
  328   2HH2  ARG  33          1HH1      ARG  33  -2.401   5.233 -20.989
  329    QB   ARG  33           QB       ARG  33  -1.721   0.404 -23.179
  330    QG   ARG  33           QG       ARG  33  -3.686   0.012 -21.688
  331    QD   ARG  33           QD       ARG  33  -4.677   1.384 -23.258
  332    QH1  ARG  33           QH2      ARG  33  -4.052   3.020 -20.148
  333    QH2  ARG  33           QH1      ARG  33  -2.248   5.082 -21.828
  334    H    GLY  34           HN       GLY  34  -0.053  -1.286 -19.339
  335   1HA   GLY  34          1HA       GLY  34   0.602   0.927 -17.854
  336   2HA   GLY  34          2HA       GLY  34  -1.165   0.779 -17.695
  337    QA   GLY  34           QA       GLY  34  -0.281   0.853 -17.775
  338    H    THR  35           HN       THR  35   0.099   0.480 -15.446
  339    HA   THR  35           HA       THR  35   0.293  -2.400 -14.819
  340    HB   THR  35           HB       THR  35   2.338  -1.068 -14.664
  341    HG1  THR  35          1HG       THR  35   2.783  -1.498 -12.421
  342   1HG2  THR  35          3HG2      THR  35   0.850   0.712 -12.731
  343   2HG2  THR  35          1HG2      THR  35   2.614   0.687 -12.918
  344   3HG2  THR  35          2HG2      THR  35   1.595   1.181 -14.266
  345    QG2  THR  35           QG2      THR  35   1.686   0.860 -13.305
  346    H    ILE  36           HN       ILE  36  -0.953  -3.148 -13.101
  347    HA   ILE  36           HA       ILE  36  -3.163  -1.468 -12.135
  348    HB   ILE  36           HB       ILE  36  -2.199  -4.260 -11.478
  349   1HG1  ILE  36          2HG1      ILE  36  -3.484  -3.830 -13.615
  350   2HG1  ILE  36          3HG1      ILE  36  -4.131  -5.074 -12.543
  351   1HG2  ILE  36          3HG2      ILE  36  -4.422  -2.688 -10.120
  352   2HG2  ILE  36          1HG2      ILE  36  -4.305  -4.458 -10.083
  353   3HG2  ILE  36          2HG2      ILE  36  -3.018  -3.479  -9.372
  354   1HD1  ILE  36          3HD1      ILE  36  -5.213  -2.231 -12.811
  355   2HD1  ILE  36          1HD1      ILE  36  -5.894  -3.691 -13.542
  356   3HD1  ILE  36          2HD1      ILE  36  -5.896  -3.518 -11.786
  357    QG1  ILE  36           QG1      ILE  36  -3.808  -4.452 -13.079
  358    QG2  ILE  36           QG2      ILE  36  -3.915  -3.542  -9.858
  359    QD1  ILE  36           QD1      ILE  36  -5.668  -3.147 -12.713
  360    H    ILE  37           HN       ILE  37  -2.974  -0.219 -10.297
  361    HA   ILE  37           HA       ILE  37  -0.603  -0.680  -8.501
  362    HB   ILE  37           HB       ILE  37  -2.031   1.956  -8.956
  363   1HG1  ILE  37          2HG1      ILE  37  -0.762   1.447 -11.012
  364   2HG1  ILE  37          3HG1      ILE  37  -0.190   2.845 -10.115
  365   1HG2  ILE  37          3HG2      ILE  37   0.455   1.134  -7.407
  366   2HG2  ILE  37          1HG2      ILE  37  -0.037   2.817  -7.706
  367   3HG2  ILE  37          2HG2      ILE  37  -1.051   1.728  -6.733
  368   1HD1  ILE  37          2HD1      ILE  37   1.693   1.385  -9.178
  369   2HD1  ILE  37          3HD1      ILE  37   1.130   0.128 -10.323
  370   3HD1  ILE  37          1HD1      ILE  37   1.724   1.701 -10.903
  371    QG1  ILE  37           QG1      ILE  37  -0.476   2.146 -10.564
  372    QG2  ILE  37           QG2      ILE  37  -0.211   1.893  -7.282
  373    QD1  ILE  37           QD1      ILE  37   1.516   1.071 -10.135
  374    H    GLU  38           HN       GLU  38  -1.415  -1.776  -6.794
  375    HA   GLU  38           HA       GLU  38  -4.093  -1.140  -5.672
  376   1HB   GLU  38          2HB       GLU  38  -3.789  -3.454  -6.375
  377   2HB   GLU  38          3HB       GLU  38  -2.262  -3.577  -5.485
  378   1HG   GLU  38          2HG       GLU  38  -4.089  -4.733  -4.338
  379   2HG   GLU  38          3HG       GLU  38  -3.499  -3.409  -3.340
  380    QB   GLU  38           QB       GLU  38  -3.025  -3.515  -5.930
  381    QG   GLU  38           QG       GLU  38  -3.794  -4.071  -3.839
  382    NH1  ARG  39           NH2      ARG  39  -3.533   2.759  -6.448
  383    NH2  ARG  39           NH1      ARG  39  -2.118   4.543  -6.992
  384    H    ARG  39           HN       ARG  39  -4.158  -1.063  -3.227
  385    HA   ARG  39           HA       ARG  39  -1.680   0.032  -1.978
  386   1HB   ARG  39          2HB       ARG  39  -4.325   1.423  -2.581
  387   2HB   ARG  39          3HB       ARG  39  -3.118   2.045  -1.439
  388   1HG   ARG  39          2HG       ARG  39  -1.495   2.273  -3.182
  389   2HG   ARG  39          3HG       ARG  39  -2.596   1.522  -4.365
  390   1HD   ARG  39          2HD       ARG  39  -4.294   3.339  -3.859
  391   2HD   ARG  39          3HD       ARG  39  -3.104   4.068  -2.809
  392    HE   ARG  39           HE       ARG  39  -1.794   4.652  -4.548
  393   1HH1  ARG  39          2HH2      ARG  39  -4.137   2.336  -5.742
  394   2HH1  ARG  39          1HH2      ARG  39  -3.460   2.229  -7.314
  395   1HH2  ARG  39          2HH1      ARG  39  -1.716   5.405  -6.592
  396   2HH2  ARG  39          1HH1      ARG  39  -2.180   4.399  -7.987
  397    QB   ARG  39           QB       ARG  39  -3.721   1.734  -2.010
  398    QG   ARG  39           QG       ARG  39  -2.046   1.898  -3.773
  399    QD   ARG  39           QD       ARG  39  -3.699   3.703  -3.334
  400    QH1  ARG  39           QH2      ARG  39  -3.798   2.282  -6.528
  401    QH2  ARG  39           QH1      ARG  39  -1.948   4.902  -7.289
  402    H    GLY  40           HN       GLY  40  -1.707   0.016   0.316
  403   1HA   GLY  40          1HA       GLY  40  -4.181   0.078   1.717
  404   2HA   GLY  40          2HA       GLY  40  -3.574  -1.589   1.714
  405    QA   GLY  40           QA       GLY  40  -3.878  -0.756   1.715
  406    H    CYS  41           HN       CYS  41  -3.628  -1.103   4.059
  407    HA   CYS  41           HA       CYS  41  -1.498   0.535   5.237
  408   1HB   CYS  41          2HB       CYS  41  -2.914   0.235   7.243
  409   2HB   CYS  41          3HB       CYS  41  -3.895   0.696   5.861
  410    QB   CYS  41           QB       CYS  41  -3.405   0.465   6.552
  411    H    GLY  42           HN       GLY  42  -0.110  -0.574   6.956
  412   1HA   GLY  42          1HA       GLY  42   1.123  -2.332   7.760
  413   2HA   GLY  42          2HA       GLY  42   0.095  -3.494   6.910
  414    QA   GLY  42           QA       GLY  42   0.609  -2.913   7.335
  415    H    CYS  43           HN       CYS  43   2.553  -4.314   6.553
  416    HA   CYS  43           HA       CYS  43   3.282  -3.537   3.790
  417   1HB   CYS  43          2HB       CYS  43   5.078  -3.532   6.232
  418   2HB   CYS  43          3HB       CYS  43   5.701  -3.788   4.610
  419    QB   CYS  43           QB       CYS  43   5.389  -3.660   5.421
  420    HA   PRO  44           HA       PRO  44   3.324  -8.175   4.462
  421   1HB   PRO  44          2HB       PRO  44   1.353  -8.856   2.658
  422   2HB   PRO  44          3HB       PRO  44   1.054  -8.533   4.388
  423   1HG   PRO  44          2HG       PRO  44   0.711  -6.603   2.080
  424   2HG   PRO  44          3HG       PRO  44  -0.434  -6.944   3.403
  425   1HD   PRO  44          2HD       PRO  44   1.238  -4.800   3.468
  426   2HD   PRO  44          3HD       PRO  44   0.862  -5.721   4.952
  427    QB   PRO  44           QB       PRO  44   1.203  -8.694   3.523
  428    QG   PRO  44           QG       PRO  44   0.138  -6.773   2.741
  429    QD   PRO  44           QD       PRO  44   1.050  -5.260   4.210
  430    H    LYS  45           HN       LYS  45   4.234  -9.562   2.817
  431    HA   LYS  45           HA       LYS  45   5.834  -8.160   0.823
  432   1HB   LYS  45          2HB       LYS  45   6.555  -9.961   2.435
  433   2HB   LYS  45          3HB       LYS  45   5.614 -11.109   1.516
  434   1HG   LYS  45          2HG       LYS  45   8.068 -11.207   1.169
  435   2HG   LYS  45          3HG       LYS  45   7.143 -11.079  -0.283
  436   1HD   LYS  45          2HD       LYS  45   8.963  -9.720  -0.664
  437   2HD   LYS  45          3HD       LYS  45   7.743  -8.525  -0.282
  438   1HE   LYS  45          2HE       LYS  45   9.934  -9.623   1.577
  439   2HE   LYS  45          3HE       LYS  45   9.965  -8.070   0.740
  440   1HZ   LYS  45          3HZ       LYS  45   8.057  -7.389   2.051
  441   2HZ   LYS  45          1HZ       LYS  45   8.074  -8.824   2.861
  442   3HZ   LYS  45          2HZ       LYS  45   9.337  -7.792   2.998
  443    QB   LYS  45           QB       LYS  45   6.084 -10.535   1.975
  444    QG   LYS  45           QG       LYS  45   7.605 -11.143   0.443
  445    QD   LYS  45           QD       LYS  45   8.353  -9.123  -0.473
  446    QE   LYS  45           QE       LYS  45   9.949  -8.846   1.158
  447    QZ   LYS  45           QZ       LYS  45   8.489  -8.002   2.637
  448    H    VAL  46           HN       VAL  46   6.102  -9.744  -1.245
  449    HA   VAL  46           HA       VAL  46   3.605 -10.776  -2.328
  450    HB   VAL  46           HB       VAL  46   4.382  -9.600  -4.611
  451   1HG1  VAL  46          3HG1      VAL  46   2.506  -8.404  -2.578
  452   2HG1  VAL  46          1HG1      VAL  46   2.604  -7.906  -4.273
  453   3HG1  VAL  46          2HG1      VAL  46   2.136  -9.565  -3.859
  454   1HG2  VAL  46          1HG2      VAL  46   6.216  -8.290  -3.592
  455   2HG2  VAL  46          2HG2      VAL  46   4.987  -7.292  -4.382
  456   3HG2  VAL  46          3HG2      VAL  46   5.014  -7.412  -2.612
  457    QG1  VAL  46           QG1      VAL  46   2.415  -8.625  -3.570
  458    QG2  VAL  46           QG2      VAL  46   5.406  -7.665  -3.528
  459    QQG  VAL  46           QQG      VAL  46   3.910  -8.145  -3.549
  460    H    LYS  47           HN       LYS  47   4.096 -11.924  -4.410
  461    HA   LYS  47           HA       LYS  47   6.547 -13.524  -4.192
  462   1HB   LYS  47          2HB       LYS  47   4.468 -13.548  -6.398
  463   2HB   LYS  47          3HB       LYS  47   5.555 -14.850  -5.941
  464   1HG   LYS  47          2HG       LYS  47   4.413 -15.005  -3.722
  465   2HG   LYS  47          3HG       LYS  47   3.175 -13.880  -4.335
  466   1HD   LYS  47          2HD       LYS  47   2.843 -15.430  -6.309
  467   2HD   LYS  47          3HD       LYS  47   3.873 -16.613  -5.504
  468   1HE   LYS  47          2HE       LYS  47   1.220 -15.463  -4.480
  469   2HE   LYS  47          3HE       LYS  47   1.475 -17.083  -5.139
  470   1HZ   LYS  47          1HZ       LYS  47   2.957 -17.524  -3.274
  471   2HZ   LYS  47          2HZ       LYS  47   2.635 -16.036  -2.641
  472   3HZ   LYS  47          3HZ       LYS  47   1.435 -17.151  -2.775
  473    QB   LYS  47           QB       LYS  47   5.012 -14.199  -6.170
  474    QG   LYS  47           QG       LYS  47   3.794 -14.442  -4.029
  475    QD   LYS  47           QD       LYS  47   3.358 -16.021  -5.906
  476    QE   LYS  47           QE       LYS  47   1.347 -16.273  -4.809
  477    QZ   LYS  47           QZ       LYS  47   2.342 -16.904  -2.897
  478    HA   PRO  48           HA       PRO  48   8.789 -10.878  -6.886
  479   1HB   PRO  48          2HB       PRO  48  10.244 -12.459  -8.602
  480   2HB   PRO  48          3HB       PRO  48  10.562 -12.344  -6.849
  481   1HG   PRO  48          2HG       PRO  48   9.030 -14.476  -8.323
  482   2HG   PRO  48          3HG       PRO  48  10.235 -14.686  -7.022
  483   1HD   PRO  48          2HD       PRO  48   7.530 -14.738  -6.645
  484   2HD   PRO  48          3HD       PRO  48   8.610 -14.164  -5.355
  485    QB   PRO  48           QB       PRO  48  10.403 -12.402  -7.726
  486    QG   PRO  48           QG       PRO  48   9.632 -14.581  -7.673
  487    QD   PRO  48           QD       PRO  48   8.070 -14.451  -6.000
  488    H    GLY  49           HN       GLY  49   9.017 -10.041  -9.139
  489   1HA   GLY  49          1HA       GLY  49   8.348  -9.659 -11.301
  490   2HA   GLY  49          2HA       GLY  49   7.103 -10.890 -11.085
  491    QA   GLY  49           QA       GLY  49   7.726 -10.275 -11.193
  492    H    VAL  50           HN       VAL  50   5.908 -10.135  -8.783
  493    HA   VAL  50           HA       VAL  50   4.401  -7.705  -9.445
  494    HB   VAL  50           HB       VAL  50   4.269  -9.450  -6.954
  495   1HG1  VAL  50          3HG1      VAL  50   2.478  -7.252  -8.049
  496   2HG1  VAL  50          1HG1      VAL  50   2.023  -8.319  -6.708
  497   3HG1  VAL  50          2HG1      VAL  50   3.385  -7.201  -6.530
  498   1HG2  VAL  50          3HG2      VAL  50   2.555  -9.446  -9.478
  499   2HG2  VAL  50          1HG2      VAL  50   3.628 -10.755  -8.936
  500   3HG2  VAL  50          2HG2      VAL  50   2.192 -10.345  -7.991
  501    QG1  VAL  50           QG1      VAL  50   2.629  -7.590  -7.096
  502    QG2  VAL  50           QG2      VAL  50   2.792 -10.182  -8.802
  503    QQG  VAL  50           QQG      VAL  50   2.710  -8.886  -7.949
  504    H    GLY  51           HN       GLY  51   5.025  -5.668  -8.828
  505   1HA   GLY  51          1HA       GLY  51   7.354  -5.361  -7.214
  506   2HA   GLY  51          2HA       GLY  51   6.567  -4.082  -8.106
  507    QA   GLY  51           QA       GLY  51   6.960  -4.722  -7.660
  508    H    ILE  52           HN       ILE  52   7.349  -3.504  -5.665
  509    HA   ILE  52           HA       ILE  52   4.897  -2.937  -4.227
  510    HB   ILE  52           HB       ILE  52   5.463  -5.154  -3.347
  511   1HG1  ILE  52          2HG1      ILE  52   6.003  -2.954  -1.303
  512   2HG1  ILE  52          3HG1      ILE  52   4.411  -3.471  -1.881
  513   1HG2  ILE  52          2HG2      ILE  52   7.957  -5.032  -3.757
  514   2HG2  ILE  52          3HG2      ILE  52   8.088  -3.985  -2.332
  515   3HG2  ILE  52          1HG2      ILE  52   7.515  -5.654  -2.172
  516   1HD1  ILE  52          3HD1      ILE  52   4.926  -5.768  -0.950
  517   2HD1  ILE  52          1HD1      ILE  52   6.410  -5.085  -0.249
  518   3HD1  ILE  52          2HD1      ILE  52   4.833  -4.469   0.259
  519    QG1  ILE  52           QG1      ILE  52   5.207  -3.213  -1.592
  520    QG2  ILE  52           QG2      ILE  52   7.853  -4.890  -2.754
  521    QD1  ILE  52           QD1      ILE  52   5.390  -5.107  -0.313
  522    H    HIS  53           HN       HIS  53   5.089  -1.173  -2.866
  523    HA   HIS  53           HA       HIS  53   7.763  -0.200  -2.118
  524   1HB   HIS  53          2HB       HIS  53   6.984   1.283  -3.988
  525   2HB   HIS  53          3HB       HIS  53   5.502   1.608  -3.094
  526    HD1  HIS  53           HD1      HIS  53   5.645   3.507  -1.240
  527    HD2  HIS  53           HD2      HIS  53   9.358   2.190  -2.769
  528    HE1  HIS  53           HE1      HIS  53   7.434   5.095  -0.308
  529    HE2  HIS  53           HE2      HIS  53   9.682   4.271  -1.208
  530    QB   HIS  53           QB       HIS  53   6.243   1.446  -3.541
  531    H    CYS  54           HN       CYS  54   7.646   0.783   0.023
  532    HA   CYS  54           HA       CYS  54   4.984   0.914   1.275
  533   1HB   CYS  54          2HB       CYS  54   7.202  -0.846   2.235
  534   2HB   CYS  54          3HB       CYS  54   6.550   0.259   3.418
  535    QB   CYS  54           QB       CYS  54   6.876  -0.293   2.827
  536    H    CYS  55           HN       CYS  55   4.969   2.240   3.181
  537    HA   CYS  55           HA       CYS  55   7.115   4.104   3.671
  538   1HB   CYS  55          2HB       CYS  55   5.717   6.092   3.060
  539   2HB   CYS  55          3HB       CYS  55   6.366   5.170   1.721
  540    QB   CYS  55           QB       CYS  55   6.041   5.631   2.390
  541    H    GLN  56           HN       GLN  56   6.266   5.765   5.282
  542    HA   GLN  56           HA       GLN  56   4.562   4.308   7.280
  543   1HB   GLN  56          2HB       GLN  56   7.300   5.559   7.758
  544   2HB   GLN  56          3HB       GLN  56   6.289   4.760   8.937
  545   1HG   GLN  56          2HG       GLN  56   6.441   2.627   7.664
  546   2HG   GLN  56          3HG       GLN  56   7.528   3.413   6.505
  547   1HE2  GLN  56          2HE2      GLN  56  10.207   2.242   8.484
  548   2HE2  GLN  56          1HE2      GLN  56   9.435   2.231   6.911
  549    QB   GLN  56           QB       GLN  56   6.795   5.159   8.348
  550    QG   GLN  56           QG       GLN  56   6.984   3.020   7.085
  551    QE2  GLN  56           QE2      GLN  56   9.821   2.236   7.698
  552    H    SER  57           HN       SER  57   3.385   6.320   5.880
  553    HA   SER  57           HA       SER  57   3.022   8.327   7.979
  554   1HB   SER  57          2HB       SER  57   3.855   9.367   5.247
  555   2HB   SER  57          3HB       SER  57   3.537  10.276   6.725
  556    HG   SER  57           HG       SER  57   5.346   8.724   7.534
  557    QB   SER  57           QB       SER  57   3.696   9.821   5.986
  558    H    ASP  58           HN       ASP  58   1.138   9.649   7.711
  559    HA   ASP  58           HA       ASP  58  -1.007   8.086   6.821
  560   1HB   ASP  58          2HB       ASP  58  -1.098  11.058   7.417
  561   2HB   ASP  58          3HB       ASP  58  -2.375   9.850   7.666
  562    QB   ASP  58           QB       ASP  58  -1.736  10.454   7.542
  563    H    LYS  59           HN       LYS  59  -2.131   8.011   4.974
  564    HA   LYS  59           HA       LYS  59  -2.492   8.182   2.698
  565   1HB   LYS  59          2HB       LYS  59  -2.123  11.138   3.315
  566   2HB   LYS  59          3HB       LYS  59  -2.944  10.482   1.904
  567   1HG   LYS  59          2HG       LYS  59  -4.734   9.583   3.196
  568   2HG   LYS  59          3HG       LYS  59  -3.886   9.839   4.731
  569   1HD   LYS  59          2HD       LYS  59  -3.913  12.250   4.435
  570   2HD   LYS  59          3HD       LYS  59  -4.705  12.087   2.855
  571   1HE   LYS  59          2HE       LYS  59  -6.709  11.108   3.930
  572   2HE   LYS  59          3HE       LYS  59  -5.911  11.140   5.511
  573   1HZ   LYS  59          2HZ       LYS  59  -6.558  13.524   3.905
  574   2HZ   LYS  59          3HZ       LYS  59  -7.403  12.992   5.210
  575   3HZ   LYS  59          1HZ       LYS  59  -5.861  13.523   5.395
  576    QB   LYS  59           QB       LYS  59  -2.534  10.810   2.609
  577    QG   LYS  59           QG       LYS  59  -4.310   9.711   3.963
  578    QD   LYS  59           QD       LYS  59  -4.309  12.169   3.645
  579    QE   LYS  59           QE       LYS  59  -6.310  11.124   4.720
  580    QZ   LYS  59           QZ       LYS  59  -6.607  13.347   4.837
  581    H    CYS  60           HN       CYS  60   0.377   7.751   3.487
  582    HA   CYS  60           HA       CYS  60   1.945   9.268   1.595
  583   1HB   CYS  60          2HB       CYS  60   3.774   7.911   2.270
  584   2HB   CYS  60          3HB       CYS  60   2.787   8.290   3.668
  585    QB   CYS  60           QB       CYS  60   3.280   8.100   2.969
  586    H    ASN  61           HN       ASN  61   0.238   6.175   1.423
  587    HA   ASN  61           HA       ASN  61   1.746   5.233  -0.858
  588   1HB   ASN  61          2HB       ASN  61   0.517   3.209  -0.531
  589   2HB   ASN  61          3HB       ASN  61   1.075   3.796   1.049
  590   1HD2  ASN  61          2HD2      ASN  61  -2.662   2.723   0.916
  591   2HD2  ASN  61          1HD2      ASN  61  -1.152   1.960   0.385
  592    QB   ASN  61           QB       ASN  61   0.796   3.503   0.259
  593    QD2  ASN  61           QD2      ASN  61  -1.907   2.342   0.651
  594    OH   TYR  62           OH       TYR  62  -4.382  11.838  -6.637
  595    H    TYR  62           HN       TYR  62   0.714   7.444  -1.910
  596    HA   TYR  62           HA       TYR  62  -1.950   7.295  -2.870
  597   1HB   TYR  62          2HB       TYR  62  -0.291   9.356  -2.749
  598   2HB   TYR  62          3HB       TYR  62   0.225   8.696  -4.332
  599    HD1  TYR  62           HD1      TYR  62  -3.368   8.905  -3.318
  600    HD2  TYR  62           HD2      TYR  62  -0.139  10.592  -5.627
  601    HE1  TYR  62           HE1      TYR  62  -4.993  10.191  -4.644
  602    HE2  TYR  62           HE2      TYR  62  -1.775  11.895  -6.944
  603    HH   TYR  62           HH       TYR  62  -5.293  11.724  -6.365
  604    QB   TYR  62           QB       TYR  62  -0.033   9.026  -3.540
  605    QR   TYR  62           QR       TYR  62  -2.569  10.395  -5.133
   
  Start of MODEL           8
 Raw file had 605 H/Q atoms
  Start of MODEL    8
    1    NH1  ARG   1           NH2      ARG   1  -0.402   5.846   6.510
    2    NH2  ARG   1           NH1      ARG   1   1.674   4.862   6.786
    3    H    ARG   1           HN       ARG   1  -4.984   5.482  12.336
    4    HA   ARG   1           HA       ARG   1  -3.031   6.512  11.216
    5   1HB   ARG   1          2HB       ARG   1  -1.472   4.639  11.527
    6   2HB   ARG   1          3HB       ARG   1  -2.562   3.568  10.652
    7   1HG   ARG   1          2HG       ARG   1  -0.754   3.996   9.284
    8   2HG   ARG   1          3HG       ARG   1  -2.127   4.750   8.527
    9   1HD   ARG   1          2HD       ARG   1  -1.205   6.924   8.832
   10   2HD   ARG   1          3HD       ARG   1  -0.355   6.480  10.295
   11    HE   ARG   1           HE       ARG   1   1.414   5.557   9.132
   12   1HH1  ARG   1          2HH2      ARG   1  -1.273   6.239   6.863
   13   2HH1  ARG   1          1HH2      ARG   1  -0.375   5.679   5.514
   14   1HH2  ARG   1          2HH1      ARG   1   2.354   4.506   7.458
   15   2HH2  ARG   1          1HH1      ARG   1   1.639   4.468   5.857
   16    QB   ARG   1           QB       ARG   1  -2.017   4.103  11.089
   17    QG   ARG   1           QG       ARG   1  -1.440   4.373   8.905
   18    QD   ARG   1           QD       ARG   1  -0.780   6.702   9.563
   19    QH1  ARG   1           QH2      ARG   1  -0.824   5.959   6.189
   20    QH2  ARG   1           QH1      ARG   1   1.996   4.487   6.658
   21    H    ILE   2           HN       ILE   2  -3.412   7.186   8.927
   22    HA   ILE   2           HA       ILE   2  -5.805   5.884   7.719
   23    HB   ILE   2           HB       ILE   2  -5.054   8.742   7.269
   24   1HG1  ILE   2          2HG1      ILE   2  -5.168   8.713   9.660
   25   2HG1  ILE   2          3HG1      ILE   2  -6.485   9.618   8.921
   26   1HG2  ILE   2          2HG2      ILE   2  -7.684   7.254   7.098
   27   2HG2  ILE   2          3HG2      ILE   2  -7.450   8.985   6.772
   28   3HG2  ILE   2          1HG2      ILE   2  -6.663   7.783   5.745
   29   1HD1  ILE   2          1HD1      ILE   2  -6.743   6.786   9.973
   30   2HD1  ILE   2          2HD1      ILE   2  -7.207   8.263  10.842
   31   3HD1  ILE   2          3HD1      ILE   2  -8.044   7.825   9.333
   32    QG1  ILE   2           QG1      ILE   2  -5.826   9.165   9.291
   33    QG2  ILE   2           QG2      ILE   2  -7.265   8.008   6.538
   34    QD1  ILE   2           QD1      ILE   2  -7.331   7.625  10.049
   35    H    CYS   3           HN       CYS   3  -5.736   5.682   5.379
   36    HA   CYS   3           HA       CYS   3  -3.406   6.567   3.883
   37   1HB   CYS   3          2HB       CYS   3  -3.315   4.058   5.202
   38   2HB   CYS   3          3HB       CYS   3  -3.547   3.692   3.507
   39    QB   CYS   3           QB       CYS   3  -3.431   3.875   4.355
   40    OH   TYR   4           OH       TYR   4  -4.680  11.589  -0.850
   41    H    TYR   4           HN       TYR   4  -3.524   5.520   1.602
   42    HA   TYR   4           HA       TYR   4  -6.289   5.794   0.640
   43   1HB   TYR   4          2HB       TYR   4  -3.624   5.539  -0.765
   44   2HB   TYR   4          3HB       TYR   4  -5.149   5.525  -1.596
   45    HD1  TYR   4           HD2      TYR   4  -6.783   7.583  -1.116
   46    HD2  TYR   4           HD1      TYR   4  -2.556   7.615  -0.240
   47    HE1  TYR   4           HE2      TYR   4  -6.782  10.061  -1.166
   48    HE2  TYR   4           HE1      TYR   4  -2.541  10.066  -0.508
   49    HH   TYR   4           HH       TYR   4  -3.801  11.973  -0.800
   50    QB   TYR   4           QB       TYR   4  -4.386   5.532  -1.181
   51    QR   TYR   4           QR       TYR   4  -4.666   8.831  -0.757
   52    H    ASN   5           HN       ASN   5  -7.330   4.193  -0.569
   53    HA   ASN   5           HA       ASN   5  -6.120   1.463  -0.686
   54   1HB   ASN   5          2HB       ASN   5  -8.167   0.428   0.124
   55   2HB   ASN   5          3HB       ASN   5  -7.527   1.514   1.350
   56   1HD2  ASN   5          2HD2      ASN   5 -10.309   3.689   1.368
   57   2HD2  ASN   5          1HD2      ASN   5  -8.630   3.445   1.825
   58    QB   ASN   5           QB       ASN   5  -7.847   0.971   0.737
   59    QD2  ASN   5           QD2      ASN   5  -9.470   3.567   1.596
   60    H    HIS   6           HN       HIS   6  -6.704   3.687  -2.696
   61    HA   HIS   6           HA       HIS   6  -8.831   2.482  -4.353
   62   1HB   HIS   6          2HB       HIS   6  -8.227   4.142  -6.069
   63   2HB   HIS   6          3HB       HIS   6  -8.721   4.797  -4.525
   64    HD1  HIS   6           HD1      HIS   6  -5.854   5.058  -6.967
   65    HD2  HIS   6           HD2      HIS   6  -6.887   6.019  -2.992
   66    HE1  HIS   6           HE1      HIS   6  -4.086   6.819  -6.089
   67    HE2  HIS   6           HE2      HIS   6  -4.716   7.318  -3.725
   68    QB   HIS   6           QB       HIS   6  -8.474   4.470  -5.297
   69    H    GLN   7           HN       GLN   7  -8.366   1.749  -6.562
   70    HA   GLN   7           HA       GLN   7  -6.099  -0.076  -6.688
   71   1HB   GLN   7          2HB       GLN   7  -8.488  -0.428  -7.595
   72   2HB   GLN   7          3HB       GLN   7  -8.086   0.679  -8.887
   73   1HG   GLN   7          2HG       GLN   7  -7.749  -1.505  -9.743
   74   2HG   GLN   7          3HG       GLN   7  -6.109  -0.927  -9.429
   75   1HE2  GLN   7          2HE2      GLN   7  -6.261  -4.386  -8.137
   76   2HE2  GLN   7          1HE2      GLN   7  -6.236  -3.576  -9.693
   77    QB   GLN   7           QB       GLN   7  -8.287   0.125  -8.241
   78    QG   GLN   7           QG       GLN   7  -6.929  -1.216  -9.586
   79    QE2  GLN   7           QE2      GLN   7  -6.248  -3.981  -8.915
   80    H    SER   8           HN       SER   8  -6.289   1.108  -9.753
   81    HA   SER   8           HA       SER   8  -3.928   2.722  -9.713
   82   1HB   SER   8          2HB       SER   8  -4.750   1.292 -11.638
   83   2HB   SER   8          3HB       SER   8  -6.044   2.480 -11.899
   84    HG   SER   8           HG       SER   8  -4.022   2.705 -13.174
   85    QB   SER   8           QB       SER   8  -5.397   1.886 -11.769
   86    H    THR   9           HN       THR   9  -4.689   4.690 -11.551
   87    HA   THR   9           HA       THR   9  -5.397   6.837  -9.669
   88    HB   THR   9           HB       THR   9  -4.900   7.062 -12.670
   89    HG1  THR   9          1HG       THR   9  -3.138   6.017 -11.794
   90   1HG2  THR   9          1HG2      THR   9  -4.484   8.982 -10.325
   91   2HG2  THR   9          2HG2      THR   9  -4.043   9.298 -12.011
   92   3HG2  THR   9          3HG2      THR   9  -5.748   9.121 -11.567
   93    QG2  THR   9           QG2      THR   9  -4.758   9.134 -11.301
   94    H    THR  10           HN       THR  10  -7.330   5.091  -9.622
   95    HA   THR  10           HA       THR  10  -9.650   6.138 -11.206
   96    HB   THR  10           HB       THR  10 -10.687   3.895 -10.495
   97    HG1  THR  10          1HG       THR  10  -7.969   3.299  -9.942
   98   1HG2  THR  10          2HG2      THR  10  -9.896   4.314 -12.787
   99   2HG2  THR  10          3HG2      THR  10  -8.278   3.735 -12.352
  100   3HG2  THR  10          1HG2      THR  10  -9.671   2.632 -12.292
  101    QG2  THR  10           QG2      THR  10  -9.282   3.560 -12.477
  102    NH1  ARG  11           NH2      ARG  11 -14.654   2.543  -6.804
  103    NH2  ARG  11           NH1      ARG  11 -14.318   2.092  -4.561
  104    H    ARG  11           HN       ARG  11 -11.672   5.517  -9.622
  105    HA   ARG  11           HA       ARG  11 -12.209   7.426  -7.967
  106   1HB   ARG  11          2HB       ARG  11 -13.649   5.406  -8.464
  107   2HB   ARG  11          3HB       ARG  11 -12.824   4.574  -7.131
  108   1HG   ARG  11          2HG       ARG  11 -13.592   6.509  -5.614
  109   2HG   ARG  11          3HG       ARG  11 -14.498   7.123  -7.001
  110   1HD   ARG  11          2HD       ARG  11 -16.018   5.935  -5.630
  111   2HD   ARG  11          3HD       ARG  11 -15.792   4.943  -7.054
  112    HE   ARG  11           HE       ARG  11 -14.838   4.520  -4.258
  113   1HH1  ARG  11          2HH2      ARG  11 -14.865   3.202  -7.537
  114   2HH1  ARG  11          1HH2      ARG  11 -14.465   1.584  -7.057
  115   1HH2  ARG  11          2HH1      ARG  11 -14.308   2.386  -3.595
  116   2HH2  ARG  11          1HH1      ARG  11 -14.092   1.130  -4.764
  117    QB   ARG  11           QB       ARG  11 -13.237   4.990  -7.797
  118    QG   ARG  11           QG       ARG  11 -14.045   6.816  -6.307
  119    QD   ARG  11           QD       ARG  11 -15.905   5.439  -6.342
  120    QH1  ARG  11           QH2      ARG  11 -14.665   2.393  -7.297
  121    QH2  ARG  11           QH1      ARG  11 -14.200   1.758  -4.179
  122    H    ALA  12           HN       ALA  12 -10.836   8.460  -6.584
  123    HA   ALA  12           HA       ALA  12  -8.914   7.194  -4.929
  124   1HB   ALA  12          1HB       ALA  12  -8.731   9.521  -5.657
  125   2HB   ALA  12          2HB       ALA  12 -10.179   9.954  -4.719
  126   3HB   ALA  12          3HB       ALA  12  -8.703   9.426  -3.884
  127    QB   ALA  12           QB       ALA  12  -9.204   9.634  -4.753
  128    H    THR  13           HN       THR  13  -9.191   6.088  -3.018
  129    HA   THR  13           HA       THR  13 -11.425   6.812  -1.212
  130    HB   THR  13           HB       THR  13 -11.559   4.370  -0.678
  131    HG1  THR  13          1HG       THR  13 -10.429   2.966  -1.821
  132   1HG2  THR  13          3HG2      THR  13 -13.244   5.483  -2.154
  133   2HG2  THR  13          1HG2      THR  13 -12.279   5.019  -3.573
  134   3HG2  THR  13          2HG2      THR  13 -12.993   3.766  -2.535
  135    QG2  THR  13           QG2      THR  13 -12.839   4.756  -2.754
  136    H    THR  14           HN       THR  14 -10.873   6.835   0.893
  137    HA   THR  14           HA       THR  14  -8.112   6.134   1.712
  138    HB   THR  14           HB       THR  14  -8.636   7.883   3.547
  139    HG1  THR  14          1HG       THR  14 -10.891   8.026   3.092
  140   1HG2  THR  14          2HG2      THR  14  -8.435   8.837   0.656
  141   2HG2  THR  14          3HG2      THR  14  -8.037   9.787   2.101
  142   3HG2  THR  14          1HG2      THR  14  -7.074   8.350   1.696
  143    QG2  THR  14           QG2      THR  14  -7.849   8.991   1.484
  144    H    LYS  15           HN       LYS  15  -7.943   5.244   3.895
  145    HA   LYS  15           HA       LYS  15 -10.363   4.561   5.321
  146   1HB   LYS  15          2HB       LYS  15 -10.269   2.768   3.624
  147   2HB   LYS  15          3HB       LYS  15  -8.652   2.290   4.213
  148   1HG   LYS  15          2HG       LYS  15  -9.594   1.448   6.233
  149   2HG   LYS  15          3HG       LYS  15 -11.139   2.311   5.952
  150   1HD   LYS  15          2HD       LYS  15 -11.567   0.839   4.001
  151   2HD   LYS  15          3HD       LYS  15 -10.045  -0.025   4.333
  152   1HE   LYS  15          2HE       LYS  15 -10.894  -0.655   6.593
  153   2HE   LYS  15          3HE       LYS  15 -12.390   0.243   6.296
  154   1HZ   LYS  15          1HZ       LYS  15 -12.886  -1.286   4.510
  155   2HZ   LYS  15          2HZ       LYS  15 -11.505  -2.136   4.805
  156   3HZ   LYS  15          3HZ       LYS  15 -12.693  -2.078   5.936
  157    QB   LYS  15           QB       LYS  15  -9.461   2.529   3.918
  158    QG   LYS  15           QG       LYS  15 -10.367   1.879   6.092
  159    QD   LYS  15           QD       LYS  15 -10.806   0.407   4.167
  160    QE   LYS  15           QE       LYS  15 -11.642  -0.206   6.445
  161    QZ   LYS  15           QZ       LYS  15 -12.361  -1.834   5.083
  162    H    SER  16           HN       SER  16  -9.681   3.221   7.225
  163    HA   SER  16           HA       SER  16  -7.229   4.396   8.425
  164   1HB   SER  16          2HB       SER  16  -9.398   5.095   9.435
  165   2HB   SER  16          3HB       SER  16  -9.697   3.393   9.873
  166    HG   SER  16           HG       SER  16  -8.723   4.508  11.591
  167    QB   SER  16           QB       SER  16  -9.547   4.244   9.654
  168    H    CYS  17           HN       CYS  17  -5.971   3.056   9.739
  169    HA   CYS  17           HA       CYS  17  -6.304   0.139   9.878
  170   1HB   CYS  17          2HB       CYS  17  -4.332   1.379   8.079
  171   2HB   CYS  17          3HB       CYS  17  -3.973  -0.088   8.993
  172    QB   CYS  17           QB       CYS  17  -4.153   0.645   8.536
  173    H    GLU  20           HN       GLU  20  -4.439  -0.724  11.302
  174    HA   GLU  20           HA       GLU  20  -4.115   1.241  13.490
  175   1HB   GLU  20          2HB       GLU  20  -3.725  -0.719  14.870
  176   2HB   GLU  20          3HB       GLU  20  -5.267  -0.767  13.995
  177   1HG   GLU  20          2HG       GLU  20  -4.365  -2.400  12.391
  178   2HG   GLU  20          3HG       GLU  20  -2.804  -2.368  13.233
  179    QB   GLU  20           QB       GLU  20  -4.496  -0.743  14.432
  180    QG   GLU  20           QG       GLU  20  -3.585  -2.384  12.812
  181    H    GLU  21           HN       GLU  21  -2.247  -0.920  11.378
  182    HA   GLU  21           HA       GLU  21   0.315  -0.536  12.418
  183   1HB   GLU  21          2HB       GLU  21  -0.214  -0.596   9.442
  184   2HB   GLU  21          3HB       GLU  21   1.142  -1.270  10.340
  185   1HG   GLU  21          2HG       GLU  21   0.018  -3.206   9.874
  186   2HG   GLU  21          3HG       GLU  21  -0.745  -2.837  11.410
  187    QB   GLU  21           QB       GLU  21   0.464  -0.933   9.891
  188    QG   GLU  21           QG       GLU  21  -0.364  -3.022  10.642
  189    H    ASN  22           HN       ASN  22   1.911   1.008  12.038
  190    HA   ASN  22           HA       ASN  22   1.027   3.700  11.246
  191   1HB   ASN  22          2HB       ASN  22   2.593   3.135  13.180
  192   2HB   ASN  22          3HB       ASN  22   3.851   2.882  11.971
  193   1HD2  ASN  22          2HD2      ASN  22   3.822   6.506  11.129
  194   2HD2  ASN  22          1HD2      ASN  22   3.714   4.993  10.239
  195    QB   ASN  22           QB       ASN  22   3.222   3.008  12.575
  196    QD2  ASN  22           QD2      ASN  22   3.768   5.750  10.684
  197    H    SER  23           HN       SER  23   2.412   0.915   9.643
  198    HA   SER  23           HA       SER  23   3.657   2.440   7.487
  199   1HB   SER  23          2HB       SER  23   3.863  -0.108   6.736
  200   2HB   SER  23          3HB       SER  23   4.913   0.605   7.959
  201    HG   SER  23           HG       SER  23   3.999  -1.377   8.687
  202    QB   SER  23           QB       SER  23   4.388   0.248   7.347
  203    H    CYS  24           HN       CYS  24   3.180   1.910   5.315
  204    HA   CYS  24           HA       CYS  24   0.667   0.560   4.673
  205   1HB   CYS  24          2HB       CYS  24   1.333   3.322   3.553
  206   2HB   CYS  24          3HB       CYS  24   0.072   2.262   2.930
  207    QB   CYS  24           QB       CYS  24   0.702   2.792   3.241
  208    OH   TYR  25           OH       TYR  25  -1.838  -5.452   0.810
  209    H    TYR  25           HN       TYR  25   0.598   0.172   2.238
  210    HA   TYR  25           HA       TYR  25   3.244   0.169   1.016
  211   1HB   TYR  25          2HB       TYR  25   3.293  -2.155   0.564
  212   2HB   TYR  25          3HB       TYR  25   2.913  -2.012   2.273
  213    HD1  TYR  25           HD2      TYR  25   0.360  -2.089   2.917
  214    HD2  TYR  25           HD1      TYR  25   1.983  -3.581  -0.792
  215    HE1  TYR  25           HE2      TYR  25  -1.543  -3.649   2.705
  216    HE2  TYR  25           HE1      TYR  25   0.084  -5.165  -0.973
  217    HH   TYR  25           HH       TYR  25  -2.493  -5.337   1.501
  218    QB   TYR  25           QB       TYR  25   3.103  -2.084   1.418
  219    QR   TYR  25           QR       TYR  25   0.221  -3.621   0.964
  220    H    LYS  26           HN       LYS  26   3.324  -0.175  -1.189
  221    HA   LYS  26           HA       LYS  26   0.737   0.087  -2.661
  222   1HB   LYS  26          2HB       LYS  26   1.870   2.299  -2.441
  223   2HB   LYS  26          3HB       LYS  26   3.338   1.622  -3.116
  224   1HG   LYS  26          2HG       LYS  26   2.287   1.216  -5.246
  225   2HG   LYS  26          3HG       LYS  26   0.682   1.631  -4.608
  226   1HD   LYS  26          2HD       LYS  26   1.101   3.915  -4.569
  227   2HD   LYS  26          3HD       LYS  26   2.810   3.710  -4.228
  228   1HE   LYS  26          2HE       LYS  26   2.443   4.701  -6.444
  229   2HE   LYS  26          3HE       LYS  26   3.346   3.168  -6.508
  230   1HZ   LYS  26          3HZ       LYS  26   1.291   2.095  -7.146
  231   2HZ   LYS  26          1HZ       LYS  26   0.532   3.552  -7.160
  232   3HZ   LYS  26          2HZ       LYS  26   1.748   3.261  -8.223
  233    QB   LYS  26           QB       LYS  26   2.604   1.960  -2.778
  234    QG   LYS  26           QG       LYS  26   1.485   1.423  -4.927
  235    QD   LYS  26           QD       LYS  26   1.955   3.812  -4.398
  236    QE   LYS  26           QE       LYS  26   2.895   3.934  -6.476
  237    QZ   LYS  26           QZ       LYS  26   1.190   2.970  -7.510
  238    H    LYS  27           HN       LYS  27   0.652  -1.397  -4.317
  239    HA   LYS  27           HA       LYS  27   3.132  -2.841  -5.125
  240   1HB   LYS  27          2HB       LYS  27   2.071  -4.403  -3.801
  241   2HB   LYS  27          3HB       LYS  27   0.449  -3.811  -4.165
  242   1HG   LYS  27          2HG       LYS  27   0.420  -4.846  -6.333
  243   2HG   LYS  27          3HG       LYS  27   2.147  -5.240  -6.229
  244   1HD   LYS  27          2HD       LYS  27   1.808  -7.079  -4.985
  245   2HD   LYS  27          3HD       LYS  27   0.632  -6.302  -3.930
  246   1HE   LYS  27          2HE       LYS  27  -0.100  -7.305  -6.723
  247   2HE   LYS  27          3HE       LYS  27  -0.187  -8.297  -5.256
  248   1HZ   LYS  27          1HZ       LYS  27  -1.607  -6.541  -4.296
  249   2HZ   LYS  27          2HZ       LYS  27  -1.705  -5.841  -5.740
  250   3HZ   LYS  27          3HZ       LYS  27  -2.307  -7.362  -5.555
  251    QB   LYS  27           QB       LYS  27   1.260  -4.107  -3.983
  252    QG   LYS  27           QG       LYS  27   1.283  -5.043  -6.281
  253    QD   LYS  27           QD       LYS  27   1.220  -6.690  -4.458
  254    QE   LYS  27           QE       LYS  27  -0.144  -7.801  -5.989
  255    QZ   LYS  27           QZ       LYS  27  -1.873  -6.581  -5.197
  256    OH   TYR  28           OH       TYR  28   7.361   1.139  -8.107
  257    H    TYR  28           HN       TYR  28   3.317  -3.288  -7.427
  258    HA   TYR  28           HA       TYR  28   0.959  -2.840  -9.016
  259   1HB   TYR  28          2HB       TYR  28   2.387  -1.443 -10.560
  260   2HB   TYR  28          3HB       TYR  28   1.670  -0.697  -9.140
  261    HD1  TYR  28           HD1      TYR  28   4.945  -2.590  -9.028
  262    HD2  TYR  28           HD2      TYR  28   3.020   1.255  -9.383
  263    HE1  TYR  28           HE1      TYR  28   7.060  -1.477  -8.463
  264    HE2  TYR  28           HE2      TYR  28   5.166   2.367  -8.824
  265    HH   TYR  28           HH       TYR  28   8.133   0.567  -8.087
  266    QB   TYR  28           QB       TYR  28   2.028  -1.070  -9.850
  267    QR   TYR  28           QR       TYR  28   5.047  -0.112  -8.925
  268    CH2  TRP  29           CH2      TRP  29  -3.127  -6.034  -9.505
  269    H    TRP  29           HN       TRP  29   1.080  -3.596 -11.206
  270    HA   TRP  29           HA       TRP  29   3.473  -5.046 -12.035
  271   1HB   TRP  29          2HB       TRP  29   2.269  -7.036 -12.650
  272   2HB   TRP  29          3HB       TRP  29   2.178  -6.794 -10.923
  273    HD1  TRP  29           HD1      TRP  29   0.117  -7.245 -14.026
  274    HE1  TRP  29           HE1      TRP  29  -2.364  -7.087 -13.633
  275    HE3  TRP  29           HE3      TRP  29   0.246  -5.640  -9.159
  276    HZ2  TRP  29           HZ2      TRP  29  -4.120  -6.656 -11.325
  277    HZ3  TRP  29           HZ3      TRP  29  -1.863  -5.319  -7.913
  278    HH2  TRP  29           HH2      TRP  29  -4.041  -5.909  -8.947
  279    QB   TRP  29           QB       TRP  29   2.224  -6.915 -11.787
  280    NH1  ARG  30           NH2      ARG  30   5.698  -1.986 -18.353
  281    NH2  ARG  30           NH1      ARG  30   5.303  -0.855 -20.336
  282    H    ARG  30           HN       ARG  30   3.507  -5.293 -14.298
  283    HA   ARG  30           HA       ARG  30   2.145  -3.203 -15.783
  284   1HB   ARG  30          2HB       ARG  30   4.312  -3.955 -16.484
  285   2HB   ARG  30          3HB       ARG  30   3.634  -5.579 -16.879
  286   1HG   ARG  30          2HG       ARG  30   2.192  -4.541 -18.603
  287   2HG   ARG  30          3HG       ARG  30   2.824  -2.952 -18.170
  288   1HD   ARG  30          2HD       ARG  30   5.106  -4.609 -18.790
  289   2HD   ARG  30          3HD       ARG  30   3.866  -5.003 -19.959
  290    HE   ARG  30           HE       ARG  30   4.070  -2.971 -20.960
  291   1HH1  ARG  30          2HH2      ARG  30   5.553  -2.810 -17.789
  292   2HH1  ARG  30          1HH2      ARG  30   6.237  -1.223 -17.974
  293   1HH2  ARG  30          2HH1      ARG  30   4.887  -0.810 -21.255
  294   2HH2  ARG  30          1HH1      ARG  30   5.814  -0.051 -20.005
  295    QB   ARG  30           QB       ARG  30   3.973  -4.767 -16.681
  296    QG   ARG  30           QG       ARG  30   2.508  -3.747 -18.387
  297    QD   ARG  30           QD       ARG  30   4.486  -4.806 -19.375
  298    QH1  ARG  30           QH2      ARG  30   5.895  -2.017 -17.882
  299    QH2  ARG  30           QH1      ARG  30   5.351  -0.430 -20.630
  300    H    ASP  31           HN       ASP  31   0.505  -3.425 -17.168
  301    HA   ASP  31           HA       ASP  31  -0.900  -5.926 -17.647
  302   1HB   ASP  31          2HB       ASP  31  -1.469  -5.075 -15.172
  303   2HB   ASP  31          3HB       ASP  31  -2.557  -3.991 -16.037
  304    QB   ASP  31           QB       ASP  31  -2.013  -4.533 -15.604
  305    H    HIS  32           HN       HIS  32  -3.151  -5.340 -18.617
  306    HA   HIS  32           HA       HIS  32  -3.764  -4.765 -20.814
  307   1HB   HIS  32          2HB       HIS  32  -5.194  -3.955 -18.954
  308   2HB   HIS  32          3HB       HIS  32  -4.436  -2.380 -19.050
  309    HD1  HIS  32           HD1      HIS  32  -6.109  -4.788 -21.636
  310    HD2  HIS  32           HD2      HIS  32  -6.133  -0.776 -20.319
  311    HE1  HIS  32           HE1      HIS  32  -7.850  -3.554 -23.072
  312    HE2  HIS  32           HE2      HIS  32  -7.858  -1.117 -22.255
  313    QB   HIS  32           QB       HIS  32  -4.815  -3.167 -19.002
  314    NH1  ARG  33           NH2      ARG  33  -3.932  -0.402 -26.962
  315    NH2  ARG  33           NH1      ARG  33  -3.321  -2.439 -27.882
  316    H    ARG  33           HN       ARG  33  -3.480  -1.319 -20.523
  317    HA   ARG  33           HA       ARG  33  -0.873  -1.183 -21.913
  318   1HB   ARG  33          2HB       ARG  33  -3.466   0.409 -22.384
  319   2HB   ARG  33          3HB       ARG  33  -1.857   1.001 -22.809
  320   1HG   ARG  33          2HG       ARG  33  -2.381   0.144 -24.754
  321   2HG   ARG  33          3HG       ARG  33  -1.555  -1.257 -24.035
  322   1HD   ARG  33          2HD       ARG  33  -3.770  -2.244 -23.508
  323   2HD   ARG  33          3HD       ARG  33  -4.585  -0.896 -24.306
  324    HE   ARG  33           HE       ARG  33  -3.223  -3.189 -25.489
  325   1HH1  ARG  33          2HH2      ARG  33  -4.101   0.166 -26.147
  326   2HH1  ARG  33          1HH2      ARG  33  -4.002   0.026 -27.874
  327   1HH2  ARG  33          2HH1      ARG  33  -3.039  -3.403 -27.780
  328   2HH2  ARG  33          1HH1      ARG  33  -3.373  -2.057 -28.815
  329    QB   ARG  33           QB       ARG  33  -2.661   0.705 -22.597
  330    QG   ARG  33           QG       ARG  33  -1.968  -0.556 -24.394
  331    QD   ARG  33           QD       ARG  33  -4.177  -1.570 -23.907
  332    QH1  ARG  33           QH2      ARG  33  -4.051   0.096 -27.011
  333    QH2  ARG  33           QH1      ARG  33  -3.206  -2.730 -28.297
  334    H    GLY  34           HN       GLY  34  -0.502  -1.355 -19.380
  335   1HA   GLY  34          1HA       GLY  34   0.383   1.203 -18.445
  336   2HA   GLY  34          2HA       GLY  34  -1.229   0.845 -17.802
  337    QA   GLY  34           QA       GLY  34  -0.423   1.024 -18.123
  338    H    THR  35           HN       THR  35  -0.274   0.799 -15.736
  339    HA   THR  35           HA       THR  35   0.560  -1.934 -15.059
  340    HB   THR  35           HB       THR  35   2.295   0.026 -14.843
  341    HG1  THR  35          1HG       THR  35   3.177  -1.008 -13.006
  342   1HG2  THR  35          3HG2      THR  35   0.759   1.529 -13.499
  343   2HG2  THR  35          1HG2      THR  35   0.990   0.385 -12.146
  344   3HG2  THR  35          2HG2      THR  35   2.374   1.256 -12.821
  345    QG2  THR  35           QG2      THR  35   1.374   1.057 -12.822
  346    H    ILE  36           HN       ILE  36  -0.697  -2.797 -13.345
  347    HA   ILE  36           HA       ILE  36  -3.023  -1.100 -12.477
  348    HB   ILE  36           HB       ILE  36  -2.613  -4.087 -12.441
  349   1HG1  ILE  36          2HG1      ILE  36  -3.601  -2.795 -14.484
  350   2HG1  ILE  36          3HG1      ILE  36  -4.413  -4.249 -13.896
  351   1HG2  ILE  36          2HG2      ILE  36  -4.710  -2.418 -10.980
  352   2HG2  ILE  36          3HG2      ILE  36  -4.851  -4.166 -11.268
  353   3HG2  ILE  36          1HG2      ILE  36  -3.547  -3.526 -10.258
  354   1HD1  ILE  36          1HD1      ILE  36  -5.276  -1.429 -13.125
  355   2HD1  ILE  36          2HD1      ILE  36  -5.948  -2.353 -14.480
  356   3HD1  ILE  36          3HD1      ILE  36  -6.155  -2.950 -12.835
  357    QG1  ILE  36           QG1      ILE  36  -4.007  -3.522 -14.190
  358    QG2  ILE  36           QG2      ILE  36  -4.369  -3.370 -10.835
  359    QD1  ILE  36           QD1      ILE  36  -5.793  -2.244 -13.480
  360    H    ILE  37           HN       ILE  37  -3.197  -0.629 -10.334
  361    HA   ILE  37           HA       ILE  37  -0.799  -1.103  -8.651
  362    HB   ILE  37           HB       ILE  37  -2.709   1.267  -8.704
  363   1HG1  ILE  37          2HG1      ILE  37  -0.602   2.606  -9.196
  364   2HG1  ILE  37          3HG1      ILE  37   0.250   1.086  -9.506
  365   1HG2  ILE  37          2HG2      ILE  37  -0.255   0.630  -6.979
  366   2HG2  ILE  37          3HG2      ILE  37  -1.013   2.214  -7.056
  367   3HG2  ILE  37          1HG2      ILE  37  -1.927   0.867  -6.431
  368   1HD1  ILE  37          3HD1      ILE  37  -2.198   2.050 -11.039
  369   2HD1  ILE  37          1HD1      ILE  37  -0.521   2.385 -11.514
  370   3HD1  ILE  37          2HD1      ILE  37  -1.109   0.724 -11.481
  371    QG1  ILE  37           QG1      ILE  37  -0.176   1.846  -9.351
  372    QG2  ILE  37           QG2      ILE  37  -1.065   1.237  -6.822
  373    QD1  ILE  37           QD1      ILE  37  -1.276   1.720 -11.345
  374    H    GLU  38           HN       GLU  38  -1.212  -1.698  -6.551
  375    HA   GLU  38           HA       GLU  38  -3.995  -1.871  -5.528
  376   1HB   GLU  38          2HB       GLU  38  -3.339  -4.105  -6.110
  377   2HB   GLU  38          3HB       GLU  38  -1.731  -3.879  -5.375
  378   1HG   GLU  38          2HG       GLU  38  -4.088  -3.550  -3.546
  379   2HG   GLU  38          3HG       GLU  38  -3.776  -5.180  -4.141
  380    QB   GLU  38           QB       GLU  38  -2.535  -3.992  -5.742
  381    QG   GLU  38           QG       GLU  38  -3.932  -4.365  -3.843
  382    NH1  ARG  39           NH2      ARG  39  -3.015   3.956  -6.891
  383    NH2  ARG  39           NH1      ARG  39  -1.012   5.022  -6.692
  384    H    ARG  39           HN       ARG  39  -4.040  -1.208  -3.269
  385    HA   ARG  39           HA       ARG  39  -1.584  -0.052  -2.115
  386   1HB   ARG  39          2HB       ARG  39  -4.211   1.370  -2.771
  387   2HB   ARG  39          3HB       ARG  39  -3.104   1.949  -1.531
  388   1HG   ARG  39          2HG       ARG  39  -1.350   2.330  -3.064
  389   2HG   ARG  39          3HG       ARG  39  -2.183   1.460  -4.364
  390   1HD   ARG  39          2HD       ARG  39  -3.933   3.189  -4.488
  391   2HD   ARG  39          3HD       ARG  39  -3.244   3.986  -3.089
  392    HE   ARG  39           HE       ARG  39  -1.352   4.664  -4.208
  393   1HH1  ARG  39          2HH2      ARG  39  -3.743   3.330  -6.545
  394   2HH1  ARG  39          1HH2      ARG  39  -3.010   4.121  -7.881
  395   1HH2  ARG  39          2HH1      ARG  39  -0.548   5.644  -6.017
  396   2HH2  ARG  39          1HH1      ARG  39  -1.082   5.362  -7.637
  397    QB   ARG  39           QB       ARG  39  -3.658   1.660  -2.151
  398    QG   ARG  39           QG       ARG  39  -1.767   1.895  -3.714
  399    QD   ARG  39           QD       ARG  39  -3.589   3.588  -3.789
  400    QH1  ARG  39           QH2      ARG  39  -3.377   3.726  -7.213
  401    QH2  ARG  39           QH1      ARG  39  -0.815   5.503  -6.827
  402    H    GLY  40           HN       GLY  40  -1.550  -0.379   0.101
  403   1HA   GLY  40          1HA       GLY  40  -4.078  -0.598   1.563
  404   2HA   GLY  40          2HA       GLY  40  -3.147  -2.102   1.490
  405    QA   GLY  40           QA       GLY  40  -3.612  -1.350   1.527
  406    H    CYS  41           HN       CYS  41  -3.432  -1.402   3.904
  407    HA   CYS  41           HA       CYS  41  -1.431   0.465   4.936
  408   1HB   CYS  41          2HB       CYS  41  -2.809   0.255   6.960
  409   2HB   CYS  41          3HB       CYS  41  -3.807   0.587   5.544
  410    QB   CYS  41           QB       CYS  41  -3.308   0.421   6.252
  411    H    GLY  42           HN       GLY  42  -0.156  -0.379   6.908
  412   1HA   GLY  42          1HA       GLY  42   1.129  -2.009   7.966
  413   2HA   GLY  42          2HA       GLY  42   0.251  -3.279   7.105
  414    QA   GLY  42           QA       GLY  42   0.690  -2.644   7.535
  415    H    CYS  43           HN       CYS  43   2.398  -4.251   6.699
  416    HA   CYS  43           HA       CYS  43   3.443  -3.391   4.094
  417   1HB   CYS  43          2HB       CYS  43   4.848  -2.081   5.627
  418   2HB   CYS  43          3HB       CYS  43   5.301  -3.568   6.474
  419    QB   CYS  43           QB       CYS  43   5.075  -2.824   6.051
  420    HA   PRO  44           HA       PRO  44   3.378  -7.983   4.754
  421   1HB   PRO  44          2HB       PRO  44   1.596  -8.720   2.837
  422   2HB   PRO  44          3HB       PRO  44   1.057  -8.022   4.390
  423   1HG   PRO  44          2HG       PRO  44   1.464  -6.565   1.760
  424   2HG   PRO  44          3HG       PRO  44   0.013  -6.549   2.803
  425   1HD   PRO  44          2HD       PRO  44   1.963  -4.621   2.923
  426   2HD   PRO  44          3HD       PRO  44   1.063  -5.135   4.379
  427    QB   PRO  44           QB       PRO  44   1.326  -8.371   3.613
  428    QG   PRO  44           QG       PRO  44   0.739  -6.557   2.282
  429    QD   PRO  44           QD       PRO  44   1.513  -4.878   3.651
  430    H    LYS  45           HN       LYS  45   3.657  -9.650   2.787
  431    HA   LYS  45           HA       LYS  45   5.561  -8.513   0.787
  432   1HB   LYS  45          2HB       LYS  45   6.657  -9.908   2.353
  433   2HB   LYS  45          3HB       LYS  45   5.521 -11.251   2.112
  434   1HG   LYS  45          2HG       LYS  45   6.359 -11.516  -0.203
  435   2HG   LYS  45          3HG       LYS  45   7.440 -10.132   0.000
  436   1HD   LYS  45          2HD       LYS  45   7.486 -12.847   1.397
  437   2HD   LYS  45          3HD       LYS  45   8.650 -12.245   0.225
  438   1HE   LYS  45          2HE       LYS  45   8.256 -11.347   3.121
  439   2HE   LYS  45          3HE       LYS  45   9.652 -12.162   2.419
  440   1HZ   LYS  45          1HZ       LYS  45  10.073 -10.184   1.106
  441   2HZ   LYS  45          2HZ       LYS  45   8.776  -9.423   1.783
  442   3HZ   LYS  45          3HZ       LYS  45  10.064  -9.836   2.713
  443    QB   LYS  45           QB       LYS  45   6.089 -10.580   2.233
  444    QG   LYS  45           QG       LYS  45   6.900 -10.824  -0.102
  445    QD   LYS  45           QD       LYS  45   8.068 -12.546   0.811
  446    QE   LYS  45           QE       LYS  45   8.954 -11.754   2.770
  447    QZ   LYS  45           QZ       LYS  45   9.638  -9.814   1.868
  448    H    VAL  46           HN       VAL  46   5.548  -9.670  -1.206
  449    HA   VAL  46           HA       VAL  46   2.918 -10.789  -2.038
  450    HB   VAL  46           HB       VAL  46   2.872  -9.268  -3.967
  451   1HG1  VAL  46          1HG1      VAL  46   3.018  -7.833  -1.270
  452   2HG1  VAL  46          2HG1      VAL  46   2.301  -7.177  -2.727
  453   3HG1  VAL  46          3HG1      VAL  46   1.603  -8.628  -1.983
  454   1HG2  VAL  46          1HG2      VAL  46   5.310  -8.783  -4.165
  455   2HG2  VAL  46          2HG2      VAL  46   4.325  -7.320  -4.125
  456   3HG2  VAL  46          3HG2      VAL  46   5.224  -7.814  -2.678
  457    QG1  VAL  46           QG1      VAL  46   2.308  -7.879  -1.993
  458    QG2  VAL  46           QG2      VAL  46   4.953  -7.972  -3.656
  459    QQG  VAL  46           QQG      VAL  46   3.630  -7.926  -2.825
  460    H    LYS  47           HN       LYS  47   3.114 -11.490  -4.436
  461    HA   LYS  47           HA       LYS  47   5.151 -13.502  -4.488
  462   1HB   LYS  47          2HB       LYS  47   4.029 -14.281  -6.476
  463   2HB   LYS  47          3HB       LYS  47   2.847 -13.775  -5.317
  464   1HG   LYS  47          2HG       LYS  47   2.645 -11.576  -6.592
  465   2HG   LYS  47          3HG       LYS  47   3.803 -12.199  -7.769
  466   1HD   LYS  47          2HD       LYS  47   1.071 -13.401  -7.140
  467   2HD   LYS  47          3HD       LYS  47   1.494 -12.410  -8.547
  468   1HE   LYS  47          2HE       LYS  47   3.227 -14.168  -9.183
  469   2HE   LYS  47          3HE       LYS  47   2.575 -15.199  -7.897
  470   1HZ   LYS  47          2HZ       LYS  47   1.048 -14.212 -10.208
  471   2HZ   LYS  47          3HZ       LYS  47   1.636 -15.732 -10.007
  472   3HZ   LYS  47          1HZ       LYS  47   0.458 -15.174  -9.008
  473    QB   LYS  47           QB       LYS  47   3.438 -14.028  -5.896
  474    QG   LYS  47           QG       LYS  47   3.224 -11.887  -7.180
  475    QD   LYS  47           QD       LYS  47   1.283 -12.906  -7.844
  476    QE   LYS  47           QE       LYS  47   2.901 -14.683  -8.540
  477    QZ   LYS  47           QZ       LYS  47   1.048 -15.039  -9.741
  478    HA   PRO  48           HA       PRO  48   8.271 -11.398  -6.779
  479   1HB   PRO  48          2HB       PRO  48   9.406 -13.272  -8.417
  480   2HB   PRO  48          3HB       PRO  48   9.529 -13.339  -6.636
  481   1HG   PRO  48          2HG       PRO  48   7.580 -14.815  -8.411
  482   2HG   PRO  48          3HG       PRO  48   8.574 -15.487  -7.086
  483   1HD   PRO  48          2HD       PRO  48   5.977 -14.774  -6.797
  484   2HD   PRO  48          3HD       PRO  48   7.092 -14.566  -5.435
  485    QB   PRO  48           QB       PRO  48   9.467 -13.305  -7.526
  486    QG   PRO  48           QG       PRO  48   8.077 -15.151  -7.748
  487    QD   PRO  48           QD       PRO  48   6.534 -14.670  -6.116
  488    H    GLY  49           HN       GLY  49   8.934 -10.641  -8.976
  489   1HA   GLY  49          1HA       GLY  49   8.453  -9.656 -10.955
  490   2HA   GLY  49          2HA       GLY  49   7.375 -11.013 -11.291
  491    QA   GLY  49           QA       GLY  49   7.914 -10.335 -11.123
  492    H    VAL  50           HN       VAL  50   6.745  -9.149  -8.407
  493    HA   VAL  50           HA       VAL  50   4.803  -7.322  -9.718
  494    HB   VAL  50           HB       VAL  50   4.271  -9.191  -7.353
  495   1HG1  VAL  50          2HG1      VAL  50   2.564  -6.956  -8.520
  496   2HG1  VAL  50          3HG1      VAL  50   2.030  -8.161  -7.323
  497   3HG1  VAL  50          1HG1      VAL  50   3.313  -7.015  -6.906
  498   1HG2  VAL  50          2HG2      VAL  50   3.026  -9.011 -10.132
  499   2HG2  VAL  50          3HG2      VAL  50   3.972 -10.362  -9.478
  500   3HG2  VAL  50          1HG2      VAL  50   2.384  -9.988  -8.798
  501    QG1  VAL  50           QG1      VAL  50   2.635  -7.377  -7.583
  502    QG2  VAL  50           QG2      VAL  50   3.127  -9.787  -9.470
  503    QQG  VAL  50           QQG      VAL  50   2.881  -8.582  -8.526
  504    H    GLY  51           HN       GLY  51   5.684  -5.328  -9.175
  505   1HA   GLY  51          1HA       GLY  51   7.658  -5.232  -7.133
  506   2HA   GLY  51          2HA       GLY  51   7.133  -3.831  -8.026
  507    QA   GLY  51           QA       GLY  51   7.395  -4.532  -7.580
  508    H    ILE  52           HN       ILE  52   7.656  -3.669  -5.443
  509    HA   ILE  52           HA       ILE  52   5.141  -2.854  -4.237
  510    HB   ILE  52           HB       ILE  52   5.180  -5.173  -3.566
  511   1HG1  ILE  52          2HG1      ILE  52   6.038  -3.558  -1.130
  512   2HG1  ILE  52          3HG1      ILE  52   4.479  -3.334  -1.944
  513   1HG2  ILE  52          3HG2      ILE  52   7.611  -5.627  -3.796
  514   2HG2  ILE  52          1HG2      ILE  52   7.929  -4.662  -2.339
  515   3HG2  ILE  52          2HG2      ILE  52   7.002  -6.164  -2.236
  516   1HD1  ILE  52          2HD1      ILE  52   3.897  -5.675  -1.541
  517   2HD1  ILE  52          3HD1      ILE  52   5.421  -5.928  -0.659
  518   3HD1  ILE  52          1HD1      ILE  52   4.213  -4.798  -0.037
  519    QG1  ILE  52           QG1      ILE  52   5.258  -3.446  -1.537
  520    QG2  ILE  52           QG2      ILE  52   7.514  -5.484  -2.790
  521    QD1  ILE  52           QD1      ILE  52   4.511  -5.467  -0.745
  522    H    HIS  53           HN       HIS  53   5.409  -1.302  -2.495
  523    HA   HIS  53           HA       HIS  53   8.037  -0.725  -1.479
  524   1HB   HIS  53          2HB       HIS  53   6.865   1.787  -1.646
  525   2HB   HIS  53          3HB       HIS  53   8.105   1.019  -2.627
  526    HD1  HIS  53           HD1      HIS  53   4.988  -0.208  -4.024
  527    HD2  HIS  53           HD2      HIS  53   7.620   3.068  -4.317
  528    HE1  HIS  53           HE1      HIS  53   4.598   0.801  -6.311
  529    HE2  HIS  53           HE2      HIS  53   6.262   2.782  -6.528
  530    QB   HIS  53           QB       HIS  53   7.485   1.403  -2.136
  531    H    CYS  54           HN       CYS  54   7.835   0.336   0.587
  532    HA   CYS  54           HA       CYS  54   5.150   0.401   1.772
  533   1HB   CYS  54          2HB       CYS  54   7.643  -0.712   3.081
  534   2HB   CYS  54          3HB       CYS  54   6.156  -0.288   3.931
  535    QB   CYS  54           QB       CYS  54   6.900  -0.500   3.506
  536    H    CYS  55           HN       CYS  55   4.918   2.044   3.389
  537    HA   CYS  55           HA       CYS  55   7.028   4.037   3.692
  538   1HB   CYS  55          2HB       CYS  55   5.645   5.849   2.792
  539   2HB   CYS  55          3HB       CYS  55   6.160   4.695   1.587
  540    QB   CYS  55           QB       CYS  55   5.903   5.272   2.189
  541    H    GLN  56           HN       GLN  56   6.204   5.848   5.027
  542    HA   GLN  56           HA       GLN  56   4.744   4.584   7.325
  543   1HB   GLN  56          2HB       GLN  56   7.294   4.350   7.167
  544   2HB   GLN  56          3HB       GLN  56   7.380   6.093   7.404
  545   1HG   GLN  56          2HG       GLN  56   7.846   5.036   9.469
  546   2HG   GLN  56          3HG       GLN  56   6.264   5.770   9.674
  547   1HE2  GLN  56          2HE2      GLN  56   5.948   2.469  11.211
  548   2HE2  GLN  56          1HE2      GLN  56   6.581   4.068  11.555
  549    QB   GLN  56           QB       GLN  56   7.337   5.222   7.285
  550    QG   GLN  56           QG       GLN  56   7.055   5.403   9.571
  551    QE2  GLN  56           QE2      GLN  56   6.265   3.268  11.383
  552    H    SER  57           HN       SER  57   3.515   6.667   5.694
  553    HA   SER  57           HA       SER  57   2.950   8.508   7.914
  554   1HB   SER  57          2HB       SER  57   3.245  10.481   6.227
  555   2HB   SER  57          3HB       SER  57   4.665   9.821   7.055
  556    HG   SER  57           HG       SER  57   5.016  10.065   4.799
  557    QB   SER  57           QB       SER  57   3.955  10.151   6.641
  558    H    ASP  58           HN       ASP  58   1.016   9.682   7.713
  559    HA   ASP  58           HA       ASP  58  -1.119   8.266   6.655
  560   1HB   ASP  58          2HB       ASP  58  -1.646   9.787   8.356
  561   2HB   ASP  58          3HB       ASP  58  -0.935  11.157   7.483
  562    QB   ASP  58           QB       ASP  58  -1.291  10.472   7.919
  563    H    LYS  59           HN       LYS  59  -2.284   8.486   4.773
  564    HA   LYS  59           HA       LYS  59  -2.430   8.357   2.437
  565   1HB   LYS  59          2HB       LYS  59  -1.858  11.257   3.116
  566   2HB   LYS  59          3HB       LYS  59  -2.397  10.797   1.529
  567   1HG   LYS  59          2HG       LYS  59  -4.544  10.329   2.174
  568   2HG   LYS  59          3HG       LYS  59  -4.017   9.584   3.681
  569   1HD   LYS  59          2HD       LYS  59  -3.425  11.912   4.503
  570   2HD   LYS  59          3HD       LYS  59  -4.328  12.561   3.126
  571   1HE   LYS  59          2HE       LYS  59  -6.397  11.747   3.998
  572   2HE   LYS  59          3HE       LYS  59  -5.598  10.498   4.975
  573   1HZ   LYS  59          3HZ       LYS  59  -5.417  13.357   5.593
  574   2HZ   LYS  59          1HZ       LYS  59  -6.367  12.246   6.377
  575   3HZ   LYS  59          2HZ       LYS  59  -4.735  12.115   6.408
  576    QB   LYS  59           QB       LYS  59  -2.128  11.027   2.322
  577    QG   LYS  59           QG       LYS  59  -4.280   9.956   2.927
  578    QD   LYS  59           QD       LYS  59  -3.876  12.237   3.815
  579    QE   LYS  59           QE       LYS  59  -5.997  11.122   4.487
  580    QZ   LYS  59           QZ       LYS  59  -5.506  12.573   6.126
  581    H    CYS  60           HN       CYS  60   0.575   8.033   3.444
  582    HA   CYS  60           HA       CYS  60   2.132   9.102   1.361
  583   1HB   CYS  60          2HB       CYS  60   3.866   7.623   2.058
  584   2HB   CYS  60          3HB       CYS  60   2.993   8.238   3.450
  585    QB   CYS  60           QB       CYS  60   3.430   7.930   2.754
  586    H    ASN  61           HN       ASN  61   0.228   6.096   1.404
  587    HA   ASN  61           HA       ASN  61   1.449   5.123  -1.048
  588   1HB   ASN  61          2HB       ASN  61   0.047   3.203  -0.779
  589   2HB   ASN  61          3HB       ASN  61   0.745   3.612   0.790
  590   1HD2  ASN  61          2HD2      ASN  61  -2.943   2.854   1.192
  591   2HD2  ASN  61          1HD2      ASN  61  -1.485   1.946   0.808
  592    QB   ASN  61           QB       ASN  61   0.396   3.408   0.005
  593    QD2  ASN  61           QD2      ASN  61  -2.214   2.400   1.000
  594    OH   TYR  62           OH       TYR  62  -5.063  10.671  -7.085
  595    H    TYR  62           HN       TYR  62   0.341   7.698  -1.613
  596    HA   TYR  62           HA       TYR  62  -2.311   7.410  -2.729
  597   1HB   TYR  62          2HB       TYR  62  -1.124   9.705  -2.303
  598   2HB   TYR  62          3HB       TYR  62  -0.211   9.277  -3.762
  599    HD1  TYR  62           HD1      TYR  62  -3.889   9.000  -3.060
  600    HD2  TYR  62           HD2      TYR  62  -0.776  10.600  -5.567
  601    HE1  TYR  62           HE1      TYR  62  -5.582   9.655  -4.735
  602    HE2  TYR  62           HE2      TYR  62  -2.468  11.231  -7.248
  603    HH   TYR  62           HH       TYR  62  -4.701  11.105  -7.862
  604    QB   TYR  62           QB       TYR  62  -0.667   9.491  -3.033
  605    QR   TYR  62           QR       TYR  62  -3.179  10.121  -5.152
   
  Start of MODEL           9
 Raw file had 605 H/Q atoms
  Start of MODEL    9
    1    NH1  ARG   1           NH2      ARG   1   2.102   8.508  10.389
    2    NH2  ARG   1           NH1      ARG   1   3.262   6.537  10.043
    3    H    ARG   1           HN       ARG   1  -5.168   4.938  12.392
    4    HA   ARG   1           HA       ARG   1  -3.552   6.619  11.524
    5   1HB   ARG   1          2HB       ARG   1  -2.067   4.090  11.217
    6   2HB   ARG   1          3HB       ARG   1  -2.036   4.995   9.733
    7   1HG   ARG   1          2HG       ARG   1  -1.482   6.578  12.250
    8   2HG   ARG   1          3HG       ARG   1  -0.324   5.326  11.882
    9   1HD   ARG   1          2HD       ARG   1  -0.926   6.864   9.466
   10   2HD   ARG   1          3HD       ARG   1  -0.403   7.911  10.800
   11    HE   ARG   1           HE       ARG   1   1.125   5.473   9.887
   12   1HH1  ARG   1          2HH2      ARG   1   1.249   9.070  10.255
   13   2HH1  ARG   1          1HH2      ARG   1   2.958   9.016  10.539
   14   1HH2  ARG   1          2HH1      ARG   1   3.208   5.525   9.930
   15   2HH2  ARG   1          1HH1      ARG   1   4.140   7.015   9.840
   16    QB   ARG   1           QB       ARG   1  -2.051   4.543  10.475
   17    QG   ARG   1           QG       ARG   1  -0.903   5.952  12.066
   18    QD   ARG   1           QD       ARG   1  -0.664   7.388  10.133
   19    QH1  ARG   1           QH2      ARG   1   2.104   9.043  10.397
   20    QH2  ARG   1           QH1      ARG   1   3.674   6.270   9.885
   21    H    ILE   2           HN       ILE   2  -3.337   6.867   8.885
   22    HA   ILE   2           HA       ILE   2  -5.880   5.848   7.722
   23    HB   ILE   2           HB       ILE   2  -4.750   8.630   7.352
   24   1HG1  ILE   2          2HG1      ILE   2  -5.530   8.514   9.680
   25   2HG1  ILE   2          3HG1      ILE   2  -6.486   9.598   8.682
   26   1HG2  ILE   2          2HG2      ILE   2  -7.385   7.368   6.508
   27   2HG2  ILE   2          3HG2      ILE   2  -6.993   9.091   6.348
   28   3HG2  ILE   2          1HG2      ILE   2  -6.059   7.881   5.457
   29   1HD1  ILE   2          1HD1      ILE   2  -7.351   6.785   9.462
   30   2HD1  ILE   2          2HD1      ILE   2  -7.891   8.293  10.216
   31   3HD1  ILE   2          3HD1      ILE   2  -8.311   7.957   8.532
   32    QG1  ILE   2           QG1      ILE   2  -6.008   9.056   9.181
   33    QG2  ILE   2           QG2      ILE   2  -6.812   8.114   6.104
   34    QD1  ILE   2           QD1      ILE   2  -7.851   7.678   9.403
   35    H    CYS   3           HN       CYS   3  -5.532   4.937   5.741
   36    HA   CYS   3           HA       CYS   3  -2.968   5.555   4.316
   37   1HB   CYS   3          2HB       CYS   3  -4.226   2.828   4.725
   38   2HB   CYS   3          3HB       CYS   3  -2.993   3.183   3.516
   39    QB   CYS   3           QB       CYS   3  -3.610   3.005   4.121
   40    OH   TYR   4           OH       TYR   4  -4.573  12.025   0.412
   41    H    TYR   4           HN       TYR   4  -3.095   5.347   2.055
   42    HA   TYR   4           HA       TYR   4  -5.764   5.946   0.943
   43   1HB   TYR   4          2HB       TYR   4  -2.917   6.094  -0.087
   44   2HB   TYR   4          3HB       TYR   4  -4.299   6.150  -1.150
   45    HD1  TYR   4           HD2      TYR   4  -4.885   7.839   2.084
   46    HD2  TYR   4           HD1      TYR   4  -3.277   8.341  -1.866
   47    HE1  TYR   4           HE2      TYR   4  -5.390  10.240   2.130
   48    HE2  TYR   4           HE1      TYR   4  -3.471  10.783  -1.659
   49    HH   TYR   4           HH       TYR   4  -4.230  12.525  -0.333
   50    QB   TYR   4           QB       TYR   4  -3.608   6.122  -0.618
   51    QR   TYR   4           QR       TYR   4  -4.256   9.301   0.172
   52    H    ASN   5           HN       ASN   5  -6.762   4.567  -0.598
   53    HA   ASN   5           HA       ASN   5  -5.566   1.851  -0.984
   54   1HB   ASN   5          2HB       ASN   5  -7.313   0.700   0.019
   55   2HB   ASN   5          3HB       ASN   5  -6.701   1.840   1.214
   56   1HD2  ASN   5          2HD2      ASN   5 -10.586   1.747   0.694
   57   2HD2  ASN   5          1HD2      ASN   5  -9.423   0.434   0.641
   58    QB   ASN   5           QB       ASN   5  -7.007   1.270   0.616
   59    QD2  ASN   5           QD2      ASN   5 -10.004   1.090   0.667
   60    H    HIS   6           HN       HIS   6  -5.686   3.457  -3.045
   61    HA   HIS   6           HA       HIS   6  -8.230   2.938  -4.524
   62   1HB   HIS   6          2HB       HIS   6  -7.397   4.644  -6.136
   63   2HB   HIS   6          3HB       HIS   6  -8.032   5.168  -4.605
   64    HD1  HIS   6           HD1      HIS   6  -5.211   6.022  -6.764
   65    HD2  HIS   6           HD2      HIS   6  -5.970   5.634  -2.639
   66    HE1  HIS   6           HE1      HIS   6  -3.306   7.321  -5.508
   67    HE2  HIS   6           HE2      HIS   6  -3.756   6.978  -3.049
   68    QB   HIS   6           QB       HIS   6  -7.714   4.906  -5.371
   69    H    GLN   7           HN       GLN   7  -8.267   1.659  -6.068
   70    HA   GLN   7           HA       GLN   7  -5.909   0.158  -6.974
   71   1HB   GLN   7          2HB       GLN   7  -7.604  -1.354  -7.939
   72   2HB   GLN   7          3HB       GLN   7  -7.746  -1.178  -6.197
   73   1HG   GLN   7          2HG       GLN   7  -9.471   0.544  -7.996
   74   2HG   GLN   7          3HG       GLN   7  -9.875  -1.155  -7.765
   75   1HE2  GLN   7          2HE2      GLN   7 -11.173  -0.736  -4.513
   76   2HE2  GLN   7          1HE2      GLN   7 -10.755  -1.870  -5.784
   77    QB   GLN   7           QB       GLN   7  -7.675  -1.266  -7.068
   78    QG   GLN   7           QG       GLN   7  -9.673  -0.306  -7.880
   79    QE2  GLN   7           QE2      GLN   7 -10.964  -1.303  -5.149
   80    H    SER   8           HN       SER   8  -5.839  -0.475  -9.343
   81    HA   SER   8           HA       SER   8  -5.718   1.821 -11.005
   82   1HB   SER   8          2HB       SER   8  -5.322  -0.058 -12.763
   83   2HB   SER   8          3HB       SER   8  -4.156   0.330 -11.514
   84    HG   SER   8           HG       SER   8  -6.148  -1.711 -11.431
   85    QB   SER   8           QB       SER   8  -4.739   0.136 -12.139
   86    H    THR   9           HN       THR   9  -8.152   2.258 -10.544
   87    HA   THR   9           HA       THR   9  -9.494   2.149 -13.014
   88    HB   THR   9           HB       THR   9 -10.040  -0.184 -12.664
   89    HG1  THR   9          1HG       THR   9 -12.006   1.717 -12.704
   90   1HG2  THR   9          2HG2      THR   9 -11.336   0.618 -10.040
   91   2HG2  THR   9          3HG2      THR   9 -11.423  -0.972 -10.821
   92   3HG2  THR   9          1HG2      THR   9  -9.867  -0.378 -10.234
   93    QG2  THR   9           QG2      THR   9 -10.875  -0.244 -10.365
   94    H    THR  10           HN       THR  10  -9.295   3.337  -9.762
   95    HA   THR  10           HA       THR  10 -11.629   5.086 -10.279
   96    HB   THR  10           HB       THR  10 -12.096   4.758  -7.736
   97    HG1  THR  10          1HG       THR  10 -10.791   2.319  -8.355
   98   1HG2  THR  10          2HG2      THR  10 -13.671   4.051  -9.498
   99   2HG2  THR  10          3HG2      THR  10 -12.802   2.517  -9.684
  100   3HG2  THR  10          1HG2      THR  10 -13.621   2.891  -8.159
  101    QG2  THR  10           QG2      THR  10 -13.365   3.153  -9.114
  102    NH1  ARG  11           NH2      ARG  11  -9.392  13.504  -7.211
  103    NH2  ARG  11           NH1      ARG  11 -10.518  14.281  -5.339
  104    H    ARG  11           HN       ARG  11 -11.665   6.952  -8.950
  105    HA   ARG  11           HA       ARG  11  -9.182   8.349  -8.795
  106   1HB   ARG  11          2HB       ARG  11 -11.284   9.459  -9.243
  107   2HB   ARG  11          3HB       ARG  11 -11.979   8.898  -7.714
  108   1HG   ARG  11          2HG       ARG  11 -10.557  10.329  -6.429
  109   2HG   ARG  11          3HG       ARG  11  -9.584  10.768  -7.858
  110   1HD   ARG  11          2HD       ARG  11 -11.349  12.122  -8.754
  111   2HD   ARG  11          3HD       ARG  11 -12.567  11.283  -7.802
  112    HE   ARG  11           HE       ARG  11 -12.326  12.724  -6.118
  113   1HH1  ARG  11          2HH2      ARG  11  -9.389  12.928  -8.038
  114   2HH1  ARG  11          1HH2      ARG  11  -8.595  14.094  -7.023
  115   1HH2  ARG  11          2HH1      ARG  11 -11.325  14.268  -4.730
  116   2HH2  ARG  11          1HH1      ARG  11  -9.753  14.892  -5.099
  117    QB   ARG  11           QB       ARG  11 -11.631   9.178  -8.479
  118    QG   ARG  11           QG       ARG  11 -10.070  10.549  -7.144
  119    QD   ARG  11           QD       ARG  11 -11.958  11.703  -8.278
  120    QH1  ARG  11           QH2      ARG  11  -8.992  13.511  -7.531
  121    QH2  ARG  11           QH1      ARG  11 -10.539  14.580  -4.914
  122    H    ALA  12           HN       ALA  12  -8.368   9.378  -6.742
  123    HA   ALA  12           HA       ALA  12  -7.481   7.429  -5.012
  124   1HB   ALA  12          3HB       ALA  12  -6.336   9.555  -5.413
  125   2HB   ALA  12          1HB       ALA  12  -7.584  10.409  -4.476
  126   3HB   ALA  12          2HB       ALA  12  -6.520   9.230  -3.679
  127    QB   ALA  12           QB       ALA  12  -6.813   9.731  -4.523
  128    H    THR  13           HN       THR  13  -8.023   6.595  -3.043
  129    HA   THR  13           HA       THR  13 -10.458   7.499  -1.617
  130    HB   THR  13           HB       THR  13 -10.696   4.975  -1.185
  131    HG1  THR  13          1HG       THR  13  -9.455   3.620  -2.449
  132   1HG2  THR  13          2HG2      THR  13 -12.141   6.123  -2.885
  133   2HG2  THR  13          3HG2      THR  13 -10.921   5.770  -4.125
  134   3HG2  THR  13          1HG2      THR  13 -11.765   4.442  -3.316
  135    QG2  THR  13           QG2      THR  13 -11.609   5.445  -3.442
  136    H    THR  14           HN       THR  14 -10.384   6.979   0.649
  137    HA   THR  14           HA       THR  14  -7.740   6.243   1.802
  138    HB   THR  14           HB       THR  14  -8.389   7.709   3.694
  139    HG1  THR  14          1HG       THR  14 -10.716   7.645   2.995
  140   1HG2  THR  14          1HG2      THR  14  -7.058   8.525   1.674
  141   2HG2  THR  14          2HG2      THR  14  -8.498   9.403   1.160
  142   3HG2  THR  14          3HG2      THR  14  -7.743   9.786   2.727
  143    QG2  THR  14           QG2      THR  14  -7.766   9.238   1.854
  144    H    LYS  15           HN       LYS  15  -7.859   4.947   3.693
  145    HA   LYS  15           HA       LYS  15 -10.392   4.796   5.063
  146   1HB   LYS  15          2HB       LYS  15  -9.118   2.301   3.846
  147   2HB   LYS  15          3HB       LYS  15  -9.995   2.251   5.364
  148   1HG   LYS  15          2HG       LYS  15 -11.809   3.635   3.821
  149   2HG   LYS  15          3HG       LYS  15 -11.055   2.614   2.609
  150   1HD   LYS  15          2HD       LYS  15 -12.393   1.782   5.225
  151   2HD   LYS  15          3HD       LYS  15 -13.074   1.599   3.601
  152   1HE   LYS  15          2HE       LYS  15 -11.348  -0.045   3.000
  153   2HE   LYS  15          3HE       LYS  15 -10.529   0.172   4.552
  154   1HZ   LYS  15          2HZ       LYS  15 -13.269  -0.859   4.270
  155   2HZ   LYS  15          3HZ       LYS  15 -11.925  -1.773   4.528
  156   3HZ   LYS  15          1HZ       LYS  15 -12.420  -0.706   5.672
  157    QB   LYS  15           QB       LYS  15  -9.556   2.276   4.605
  158    QG   LYS  15           QG       LYS  15 -11.432   3.124   3.215
  159    QD   LYS  15           QD       LYS  15 -12.734   1.690   4.413
  160    QE   LYS  15           QE       LYS  15 -10.938   0.064   3.776
  161    QZ   LYS  15           QZ       LYS  15 -12.538  -1.113   4.823
  162    H    SER  16           HN       SER  16 -10.028   3.633   7.191
  163    HA   SER  16           HA       SER  16  -7.638   4.699   8.390
  164   1HB   SER  16          2HB       SER  16  -9.865   4.433   9.584
  165   2HB   SER  16          3HB       SER  16  -9.519   2.690   9.662
  166    HG   SER  16           HG       SER  16  -7.723   4.725  10.575
  167    QB   SER  16           QB       SER  16  -9.692   3.562   9.623
  168    H    CYS  17           HN       CYS  17  -6.116   3.306   9.593
  169    HA   CYS  17           HA       CYS  17  -5.643   0.570   8.579
  170   1HB   CYS  17          2HB       CYS  17  -4.395   1.925   7.022
  171   2HB   CYS  17          3HB       CYS  17  -3.764   2.915   8.340
  172    QB   CYS  17           QB       CYS  17  -4.080   2.420   7.681
  173    H    GLU  20           HN       GLU  20  -5.203  -0.614  10.368
  174    HA   GLU  20           HA       GLU  20  -4.818   0.579  12.949
  175   1HB   GLU  20          2HB       GLU  20  -4.377  -1.809  13.622
  176   2HB   GLU  20          3HB       GLU  20  -5.965  -1.428  12.944
  177   1HG   GLU  20          2HG       GLU  20  -3.839  -2.686  11.193
  178   2HG   GLU  20          3HG       GLU  20  -4.872  -3.626  12.268
  179    QB   GLU  20           QB       GLU  20  -5.171  -1.619  13.283
  180    QG   GLU  20           QG       GLU  20  -4.355  -3.156  11.730
  181    H    GLU  21           HN       GLU  21  -2.622  -1.034  10.623
  182    HA   GLU  21           HA       GLU  21  -0.289  -0.789  12.230
  183   1HB   GLU  21          2HB       GLU  21  -0.512  -0.835   9.188
  184   2HB   GLU  21          3HB       GLU  21   0.962  -1.109  10.119
  185   1HG   GLU  21          2HG       GLU  21  -1.516  -2.874  10.177
  186   2HG   GLU  21          3HG       GLU  21   0.005  -3.238   9.378
  187    QB   GLU  21           QB       GLU  21   0.225  -0.972   9.653
  188    QG   GLU  21           QG       GLU  21  -0.755  -3.056   9.778
  189    H    ASN  22           HN       ASN  22   1.552   0.559  11.895
  190    HA   ASN  22           HA       ASN  22   0.813   3.374  11.656
  191   1HB   ASN  22          2HB       ASN  22   2.344   2.573  13.413
  192   2HB   ASN  22          3HB       ASN  22   3.517   2.104  12.169
  193   1HD2  ASN  22          2HD2      ASN  22   4.913   5.362  12.330
  194   2HD2  ASN  22          1HD2      ASN  22   5.184   3.634  12.218
  195    QB   ASN  22           QB       ASN  22   2.930   2.339  12.791
  196    QD2  ASN  22           QD2      ASN  22   5.048   4.498  12.274
  197    H    SER  23           HN       SER  23   2.104   0.941   9.486
  198    HA   SER  23           HA       SER  23   3.248   2.928   7.607
  199   1HB   SER  23          2HB       SER  23   3.906   0.630   6.524
  200   2HB   SER  23          3HB       SER  23   4.788   1.256   7.921
  201    HG   SER  23           HG       SER  23   4.131  -0.987   8.137
  202    QB   SER  23           QB       SER  23   4.347   0.943   7.223
  203    H    CYS  24           HN       CYS  24   2.910   2.453   5.340
  204    HA   CYS  24           HA       CYS  24   0.350   1.192   4.610
  205   1HB   CYS  24          2HB       CYS  24   1.211   3.863   3.461
  206   2HB   CYS  24          3HB       CYS  24  -0.273   2.964   3.152
  207    QB   CYS  24           QB       CYS  24   0.469   3.413   3.307
  208    OH   TYR  25           OH       TYR  25  -1.425  -5.116   0.341
  209    H    TYR  25           HN       TYR  25   0.403   0.760   2.174
  210    HA   TYR  25           HA       TYR  25   3.031   0.891   0.930
  211   1HB   TYR  25          2HB       TYR  25   3.431  -1.427   0.769
  212   2HB   TYR  25          3HB       TYR  25   2.867  -1.254   2.413
  213    HD1  TYR  25           HD2      TYR  25   0.478  -1.906   2.962
  214    HD2  TYR  25           HD1      TYR  25   2.283  -2.788  -0.835
  215    HE1  TYR  25           HE2      TYR  25  -1.238  -3.649   2.549
  216    HE2  TYR  25           HE1      TYR  25   0.554  -4.507  -1.260
  217    HH   TYR  25           HH       TYR  25  -2.058  -5.209   1.059
  218    QB   TYR  25           QB       TYR  25   3.149  -1.341   1.591
  219    QR   TYR  25           QR       TYR  25   0.519  -3.213   0.854
  220    H    LYS  26           HN       LYS  26   2.999  -0.183  -1.245
  221    HA   LYS  26           HA       LYS  26   0.338  -0.442  -2.467
  222   1HB   LYS  26          2HB       LYS  26   1.126   1.916  -2.881
  223   2HB   LYS  26          3HB       LYS  26   2.564   1.263  -3.674
  224   1HG   LYS  26          2HG       LYS  26   1.040   0.150  -5.392
  225   2HG   LYS  26          3HG       LYS  26  -0.324   0.742  -4.489
  226   1HD   LYS  26          2HD       LYS  26  -0.239   2.349  -6.095
  227   2HD   LYS  26          3HD       LYS  26   0.745   3.148  -4.877
  228   1HE   LYS  26          2HE       LYS  26   1.725   1.527  -7.296
  229   2HE   LYS  26          3HE       LYS  26   1.644   3.288  -7.198
  230   1HZ   LYS  26          2HZ       LYS  26   3.235   3.191  -5.380
  231   2HZ   LYS  26          3HZ       LYS  26   3.342   1.553  -5.534
  232   3HZ   LYS  26          1HZ       LYS  26   3.852   2.522  -6.754
  233    QB   LYS  26           QB       LYS  26   1.845   1.590  -3.277
  234    QG   LYS  26           QG       LYS  26   0.358   0.446  -4.941
  235    QD   LYS  26           QD       LYS  26   0.253   2.748  -5.486
  236    QE   LYS  26           QE       LYS  26   1.685   2.408  -7.247
  237    QZ   LYS  26           QZ       LYS  26   3.476   2.422  -5.889
  238    H    LYS  27           HN       LYS  27   0.278  -2.142  -3.850
  239    HA   LYS  27           HA       LYS  27   2.837  -3.381  -4.727
  240   1HB   LYS  27          2HB       LYS  27   1.706  -5.510  -4.845
  241   2HB   LYS  27          3HB       LYS  27   1.737  -4.904  -3.187
  242   1HG   LYS  27          2HG       LYS  27  -0.628  -4.160  -3.434
  243   2HG   LYS  27          3HG       LYS  27  -0.618  -4.747  -5.103
  244   1HD   LYS  27          2HD       LYS  27   0.162  -7.018  -3.737
  245   2HD   LYS  27          3HD       LYS  27  -0.905  -6.235  -2.556
  246   1HE   LYS  27          2HE       LYS  27  -2.628  -6.027  -4.505
  247   2HE   LYS  27          3HE       LYS  27  -1.552  -7.075  -5.435
  248   1HZ   LYS  27          1HZ       LYS  27  -2.895  -7.728  -2.894
  249   2HZ   LYS  27          2HZ       LYS  27  -3.344  -8.230  -4.388
  250   3HZ   LYS  27          3HZ       LYS  27  -1.920  -8.757  -3.745
  251    QB   LYS  27           QB       LYS  27   1.721  -5.207  -4.016
  252    QG   LYS  27           QG       LYS  27  -0.623  -4.454  -4.268
  253    QD   LYS  27           QD       LYS  27  -0.372  -6.626  -3.147
  254    QE   LYS  27           QE       LYS  27  -2.090  -6.551  -4.970
  255    QZ   LYS  27           QZ       LYS  27  -2.720  -8.238  -3.675
  256    OH   TYR  28           OH       TYR  28   7.183   0.346  -6.567
  257    H    TYR  28           HN       TYR  28   2.984  -3.721  -7.002
  258    HA   TYR  28           HA       TYR  28   0.682  -2.974  -8.669
  259   1HB   TYR  28          2HB       TYR  28   2.239  -1.303  -9.745
  260   2HB   TYR  28          3HB       TYR  28   1.464  -0.840  -8.238
  261    HD1  TYR  28           HD1      TYR  28   2.877  -0.944  -6.068
  262    HD2  TYR  28           HD2      TYR  28   4.619  -1.183 -10.008
  263    HE1  TYR  28           HE1      TYR  28   5.027  -0.151  -5.163
  264    HE2  TYR  28           HE2      TYR  28   6.759  -0.341  -9.094
  265    HH   TYR  28           HH       TYR  28   7.908   0.354  -7.197
  266    QB   TYR  28           QB       TYR  28   1.852  -1.071  -8.992
  267    QR   TYR  28           QR       TYR  28   4.821  -0.655  -7.583
  268    CH2  TRP  29           CH2      TRP  29  -2.813  -6.352  -8.269
  269    H    TRP  29           HN       TRP  29   0.782  -3.880 -10.726
  270    HA   TRP  29           HA       TRP  29   3.303  -5.104 -11.639
  271   1HB   TRP  29          2HB       TRP  29   2.331  -7.287 -11.871
  272   2HB   TRP  29          3HB       TRP  29   2.372  -6.816 -10.187
  273    HD1  TRP  29           HD1      TRP  29   0.152  -8.178 -12.790
  274    HE1  TRP  29           HE1      TRP  29  -2.228  -8.471 -11.951
  275    HE3  TRP  29           HE3      TRP  29   0.467  -5.452  -8.445
  276    HZ2  TRP  29           HZ2      TRP  29  -3.815  -7.659  -9.664
  277    HZ3  TRP  29           HZ3      TRP  29  -1.564  -5.029  -7.117
  278    HH2  TRP  29           HH2      TRP  29  -3.690  -6.199  -7.653
  279    QB   TRP  29           QB       TRP  29   2.351  -7.051 -11.029
  280    NH1  ARG  30           NH2      ARG  30   2.604  -0.944 -17.770
  281    NH2  ARG  30           NH1      ARG  30   4.649  -0.016 -18.304
  282    H    ARG  30           HN       ARG  30   3.185  -5.847 -13.854
  283    HA   ARG  30           HA       ARG  30   1.580  -4.086 -15.512
  284   1HB   ARG  30          2HB       ARG  30   3.629  -6.236 -15.978
  285   2HB   ARG  30          3HB       ARG  30   2.640  -5.701 -17.312
  286   1HG   ARG  30          2HG       ARG  30   3.712  -3.405 -15.803
  287   2HG   ARG  30          3HG       ARG  30   4.989  -4.457 -16.424
  288   1HD   ARG  30          2HD       ARG  30   4.166  -4.319 -18.677
  289   2HD   ARG  30          3HD       ARG  30   2.687  -3.513 -18.192
  290    HE   ARG  30           HE       ARG  30   5.439  -2.401 -18.339
  291   1HH1  ARG  30          2HH2      ARG  30   2.025  -1.749 -17.521
  292   2HH1  ARG  30          1HH2      ARG  30   2.180  -0.035 -17.711
  293   1HH2  ARG  30          2HH1      ARG  30   5.628  -0.114 -18.522
  294   2HH2  ARG  30          1HH1      ARG  30   4.263   0.916 -18.261
  295    QB   ARG  30           QB       ARG  30   3.134  -5.968 -16.645
  296    QG   ARG  30           QG       ARG  30   4.350  -3.931 -16.113
  297    QD   ARG  30           QD       ARG  30   3.426  -3.916 -18.435
  298    QH1  ARG  30           QH2      ARG  30   2.102  -0.892 -17.616
  299    QH2  ARG  30           QH1      ARG  30   4.945   0.401 -18.392
  300    H    ASP  31           HN       ASP  31   0.211  -4.725 -17.155
  301    HA   ASP  31           HA       ASP  31  -0.684  -7.462 -17.438
  302   1HB   ASP  31          2HB       ASP  31  -2.447  -6.792 -15.910
  303   2HB   ASP  31          3HB       ASP  31  -2.633  -5.220 -16.711
  304    QB   ASP  31           QB       ASP  31  -2.540  -6.006 -16.311
  305    H    HIS  32           HN       HIS  32  -1.915  -7.530 -19.458
  306    HA   HIS  32           HA       HIS  32  -1.623  -7.220 -21.826
  307   1HB   HIS  32          2HB       HIS  32  -3.845  -7.043 -20.895
  308   2HB   HIS  32          3HB       HIS  32  -3.620  -5.359 -20.484
  309    HD1  HIS  32           HD1      HIS  32  -3.309  -7.334 -23.845
  310    HD2  HIS  32           HD2      HIS  32  -5.000  -3.879 -22.102
  311    HE1  HIS  32           HE1      HIS  32  -4.583  -6.111 -25.719
  312    HE2  HIS  32           HE2      HIS  32  -5.606  -4.014 -24.644
  313    QB   HIS  32           QB       HIS  32  -3.733  -6.201 -20.690
  314    NH1  ARG  33           NH2      ARG  33   3.341  -1.796 -24.367
  315    NH2  ARG  33           NH1      ARG  33   2.515   0.371 -24.431
  316    H    ARG  33           HN       ARG  33  -2.332  -3.843 -21.016
  317    HA   ARG  33           HA       ARG  33   0.232  -2.864 -22.033
  318   1HB   ARG  33          2HB       ARG  33  -2.476  -2.328 -23.337
  319   2HB   ARG  33          3HB       ARG  33  -1.164  -1.180 -23.493
  320   1HG   ARG  33          2HG       ARG  33  -1.064  -4.076 -24.442
  321   2HG   ARG  33          3HG       ARG  33  -1.335  -2.653 -25.443
  322   1HD   ARG  33          2HD       ARG  33   1.191  -3.403 -23.938
  323   2HD   ARG  33          3HD       ARG  33   0.967  -3.294 -25.689
  324    HE   ARG  33           HE       ARG  33   0.328  -0.767 -24.887
  325   1HH1  ARG  33          2HH2      ARG  33   3.178  -2.788 -24.458
  326   2HH1  ARG  33          1HH2      ARG  33   4.284  -1.471 -24.210
  327   1HH2  ARG  33          2HH1      ARG  33   1.741   1.014 -24.523
  328   2HH2  ARG  33          1HH1      ARG  33   3.437   0.756 -24.282
  329    QB   ARG  33           QB       ARG  33  -1.820  -1.754 -23.415
  330    QG   ARG  33           QG       ARG  33  -1.200  -3.364 -24.942
  331    QD   ARG  33           QD       ARG  33   1.079  -3.348 -24.814
  332    QH1  ARG  33           QH2      ARG  33   3.731  -2.129 -24.334
  333    QH2  ARG  33           QH1      ARG  33   2.589   0.885 -24.402
  334    H    GLY  34           HN       GLY  34  -0.784  -3.058 -19.442
  335   1HA   GLY  34          1HA       GLY  34  -1.047  -0.213 -18.683
  336   2HA   GLY  34          2HA       GLY  34  -2.373  -1.324 -18.253
  337    QA   GLY  34           QA       GLY  34  -1.710  -0.768 -18.468
  338    H    THR  35           HN       THR  35  -1.630  -0.565 -16.058
  339    HA   THR  35           HA       THR  35   0.096  -2.610 -14.910
  340    HB   THR  35           HB       THR  35   0.929   0.189 -15.243
  341    HG1  THR  35          1HG       THR  35   2.850  -0.983 -14.239
  342   1HG2  THR  35          1HG2      THR  35   0.892  -0.828 -12.384
  343   2HG2  THR  35          2HG2      THR  35   1.916   0.492 -12.998
  344   3HG2  THR  35          3HG2      THR  35   0.168   0.661 -13.064
  345    QG2  THR  35           QG2      THR  35   0.992   0.108 -12.815
  346    H    ILE  36           HN       ILE  36  -0.996  -3.477 -13.298
  347    HA   ILE  36           HA       ILE  36  -3.468  -2.198 -12.403
  348    HB   ILE  36           HB       ILE  36  -2.288  -4.946 -11.879
  349   1HG1  ILE  36          2HG1      ILE  36  -4.691  -4.017 -13.533
  350   2HG1  ILE  36          3HG1      ILE  36  -3.126  -4.493 -14.207
  351   1HG2  ILE  36          3HG2      ILE  36  -3.687  -4.135  -9.944
  352   2HG2  ILE  36          1HG2      ILE  36  -5.022  -3.838 -11.072
  353   3HG2  ILE  36          2HG2      ILE  36  -4.446  -5.475 -10.787
  354   1HD1  ILE  36          3HD1      ILE  36  -3.408  -6.779 -13.324
  355   2HD1  ILE  36          1HD1      ILE  36  -5.026  -6.341 -12.711
  356   3HD1  ILE  36          2HD1      ILE  36  -4.696  -6.305 -14.448
  357    QG1  ILE  36           QG1      ILE  36  -3.909  -4.255 -13.870
  358    QG2  ILE  36           QG2      ILE  36  -4.385  -4.482 -10.601
  359    QD1  ILE  36           QD1      ILE  36  -4.377  -6.475 -13.494
  360    H    ILE  37           HN       ILE  37  -3.647  -1.241 -10.411
  361    HA   ILE  37           HA       ILE  37  -1.273  -1.160  -8.577
  362    HB   ILE  37           HB       ILE  37  -3.459   0.779  -9.406
  363   1HG1  ILE  37          2HG1      ILE  37  -1.523   2.439  -9.130
  364   2HG1  ILE  37          3HG1      ILE  37  -0.456   1.044  -8.937
  365   1HG2  ILE  37          2HG2      ILE  37  -3.630   0.631  -6.872
  366   2HG2  ILE  37          3HG2      ILE  37  -1.957   1.215  -6.840
  367   3HG2  ILE  37          1HG2      ILE  37  -3.272   2.138  -7.630
  368   1HD1  ILE  37          1HD1      ILE  37  -2.209   1.670 -11.362
  369   2HD1  ILE  37          2HD1      ILE  37  -0.462   1.939 -11.230
  370   3HD1  ILE  37          3HD1      ILE  37  -1.102   0.284 -11.209
  371    QG1  ILE  37           QG1      ILE  37  -0.990   1.741  -9.034
  372    QG2  ILE  37           QG2      ILE  37  -2.953   1.328  -7.114
  373    QD1  ILE  37           QD1      ILE  37  -1.258   1.297 -11.267
  374    H    GLU  38           HN       GLU  38  -1.632  -1.947  -6.505
  375    HA   GLU  38           HA       GLU  38  -4.404  -1.711  -5.485
  376   1HB   GLU  38          2HB       GLU  38  -3.450  -4.204  -5.899
  377   2HB   GLU  38          3HB       GLU  38  -2.629  -3.831  -4.368
  378   1HG   GLU  38          2HG       GLU  38  -4.574  -4.819  -3.597
  379   2HG   GLU  38          3HG       GLU  38  -5.068  -3.124  -3.579
  380    QB   GLU  38           QB       GLU  38  -3.040  -4.018  -5.133
  381    QG   GLU  38           QG       GLU  38  -4.821  -3.971  -3.588
  382    NH1  ARG  39           NH2      ARG  39  -2.768   4.241  -6.702
  383    NH2  ARG  39           NH1      ARG  39  -0.717   5.300  -6.549
  384    H    ARG  39           HN       ARG  39  -4.334  -0.348  -3.750
  385    HA   ARG  39           HA       ARG  39  -1.720   0.232  -2.392
  386   1HB   ARG  39          2HB       ARG  39  -4.208   1.898  -2.820
  387   2HB   ARG  39          3HB       ARG  39  -2.950   2.305  -1.621
  388   1HG   ARG  39          2HG       ARG  39  -1.277   2.448  -3.300
  389   2HG   ARG  39          3HG       ARG  39  -2.403   1.885  -4.574
  390   1HD   ARG  39          2HD       ARG  39  -3.776   3.872  -4.275
  391   2HD   ARG  39          3HD       ARG  39  -2.859   4.346  -2.859
  392    HE   ARG  39           HE       ARG  39  -1.025   5.019  -4.098
  393   1HH1  ARG  39          2HH2      ARG  39  -3.498   3.677  -6.273
  394   2HH1  ARG  39          1HH2      ARG  39  -2.728   4.291  -7.710
  395   1HH2  ARG  39          2HH1      ARG  39  -0.193   5.899  -5.887
  396   2HH2  ARG  39          1HH1      ARG  39  -0.654   5.522  -7.528
  397    QB   ARG  39           QB       ARG  39  -3.579   2.101  -2.220
  398    QG   ARG  39           QG       ARG  39  -1.840   2.166  -3.937
  399    QD   ARG  39           QD       ARG  39  -3.317   4.109  -3.567
  400    QH1  ARG  39           QH2      ARG  39  -3.113   3.984  -6.991
  401    QH2  ARG  39           QH1      ARG  39  -0.424   5.710  -6.707
  402    H    GLY  40           HN       GLY  40  -1.596  -0.104  -0.150
  403   1HA   GLY  40          1HA       GLY  40  -4.022  -0.723   1.319
  404   2HA   GLY  40          2HA       GLY  40  -3.011  -2.146   0.963
  405    QA   GLY  40           QA       GLY  40  -3.517  -1.434   1.141
  406    H    CYS  41           HN       CYS  41  -3.102  -2.030   3.435
  407    HA   CYS  41           HA       CYS  41  -1.603   0.211   4.665
  408   1HB   CYS  41          2HB       CYS  41  -3.545   0.342   5.576
  409   2HB   CYS  41          3HB       CYS  41  -4.036  -1.348   5.288
  410    QB   CYS  41           QB       CYS  41  -3.790  -0.503   5.432
  411    H    GLY  42           HN       GLY  42  -0.403  -0.223   6.598
  412   1HA   GLY  42          1HA       GLY  42   1.302  -1.408   7.744
  413   2HA   GLY  42          2HA       GLY  42   0.556  -2.899   7.166
  414    QA   GLY  42           QA       GLY  42   0.929  -2.154   7.455
  415    H    CYS  43           HN       CYS  43   2.407  -3.978   6.471
  416    HA   CYS  43           HA       CYS  43   3.468  -3.183   3.864
  417   1HB   CYS  43          2HB       CYS  43   4.948  -1.901   5.356
  418   2HB   CYS  43          3HB       CYS  43   5.353  -3.390   6.224
  419    QB   CYS  43           QB       CYS  43   5.150  -2.645   5.790
  420    HA   PRO  44           HA       PRO  44   3.465  -7.767   4.477
  421   1HB   PRO  44          2HB       PRO  44   1.628  -8.536   2.660
  422   2HB   PRO  44          3HB       PRO  44   1.130  -7.746   4.184
  423   1HG   PRO  44          2HG       PRO  44   1.499  -6.448   1.469
  424   2HG   PRO  44          3HG       PRO  44   0.090  -6.323   2.564
  425   1HD   PRO  44          2HD       PRO  44   2.183  -4.495   2.471
  426   2HD   PRO  44          3HD       PRO  44   1.209  -4.787   3.951
  427    QB   PRO  44           QB       PRO  44   1.379  -8.141   3.422
  428    QG   PRO  44           QG       PRO  44   0.795  -6.386   2.017
  429    QD   PRO  44           QD       PRO  44   1.696  -4.641   3.211
  430    H    LYS  45           HN       LYS  45   3.808  -9.483   2.692
  431    HA   LYS  45           HA       LYS  45   5.878  -8.516   0.791
  432   1HB   LYS  45          2HB       LYS  45   6.563 -10.061   2.428
  433   2HB   LYS  45          3HB       LYS  45   5.267 -11.204   2.046
  434   1HG   LYS  45          2HG       LYS  45   7.382 -10.462   0.003
  435   2HG   LYS  45          3HG       LYS  45   7.831 -11.520   1.313
  436   1HD   LYS  45          2HD       LYS  45   5.433 -12.227  -0.434
  437   2HD   LYS  45          3HD       LYS  45   7.093 -12.556  -0.917
  438   1HE   LYS  45          2HE       LYS  45   6.182 -14.540   0.043
  439   2HE   LYS  45          3HE       LYS  45   7.512 -13.939   1.037
  440   1HZ   LYS  45          3HZ       LYS  45   4.643 -13.574   1.625
  441   2HZ   LYS  45          1HZ       LYS  45   5.635 -14.672   2.342
  442   3HZ   LYS  45          2HZ       LYS  45   5.896 -13.067   2.569
  443    QB   LYS  45           QB       LYS  45   5.915 -10.632   2.237
  444    QG   LYS  45           QG       LYS  45   7.606 -10.991   0.658
  445    QD   LYS  45           QD       LYS  45   6.263 -12.391  -0.676
  446    QE   LYS  45           QE       LYS  45   6.847 -14.239   0.540
  447    QZ   LYS  45           QZ       LYS  45   5.391 -13.771   2.179
  448    H    VAL  46           HN       VAL  46   5.988  -9.644  -1.238
  449    HA   VAL  46           HA       VAL  46   3.394 -10.490  -2.430
  450    HB   VAL  46           HB       VAL  46   3.814  -9.136  -4.419
  451   1HG1  VAL  46          1HG1      VAL  46   2.357  -8.229  -2.652
  452   2HG1  VAL  46          2HG1      VAL  46   3.752  -7.430  -1.894
  453   3HG1  VAL  46          3HG1      VAL  46   3.226  -6.944  -3.514
  454   1HG2  VAL  46          3HG2      VAL  46   6.287  -8.892  -4.275
  455   2HG2  VAL  46          1HG2      VAL  46   5.457  -7.353  -4.488
  456   3HG2  VAL  46          2HG2      VAL  46   6.086  -7.798  -2.889
  457    QG1  VAL  46           QG1      VAL  46   3.112  -7.534  -2.686
  458    QG2  VAL  46           QG2      VAL  46   5.943  -8.014  -3.884
  459    QQG  VAL  46           QQG      VAL  46   4.527  -7.774  -3.285
  460    H    LYS  47           HN       LYS  47   3.691 -11.577  -4.523
  461    HA   LYS  47           HA       LYS  47   5.927 -13.467  -4.508
  462   1HB   LYS  47          2HB       LYS  47   3.605 -12.951  -6.398
  463   2HB   LYS  47          3HB       LYS  47   4.712 -14.288  -6.608
  464   1HG   LYS  47          2HG       LYS  47   4.066 -15.362  -4.564
  465   2HG   LYS  47          3HG       LYS  47   3.161 -13.963  -4.023
  466   1HD   LYS  47          2HD       LYS  47   1.637 -15.705  -4.823
  467   2HD   LYS  47          3HD       LYS  47   1.477 -14.194  -5.702
  468   1HE   LYS  47          2HE       LYS  47   1.303 -16.082  -7.229
  469   2HE   LYS  47          3HE       LYS  47   2.708 -15.096  -7.630
  470   1HZ   LYS  47          3HZ       LYS  47   2.747 -17.647  -6.142
  471   2HZ   LYS  47          1HZ       LYS  47   3.217 -17.425  -7.698
  472   3HZ   LYS  47          2HZ       LYS  47   4.074 -16.730  -6.483
  473    QB   LYS  47           QB       LYS  47   4.159 -13.619  -6.503
  474    QG   LYS  47           QG       LYS  47   3.614 -14.663  -4.293
  475    QD   LYS  47           QD       LYS  47   1.557 -14.950  -5.262
  476    QE   LYS  47           QE       LYS  47   2.005 -15.589  -7.430
  477    QZ   LYS  47           QZ       LYS  47   3.346 -17.267  -6.774
  478    HA   PRO  48           HA       PRO  48   8.547 -11.032  -6.919
  479   1HB   PRO  48          2HB       PRO  48   9.930 -12.667  -8.604
  480   2HB   PRO  48          3HB       PRO  48  10.024 -12.808  -6.826
  481   1HG   PRO  48          2HG       PRO  48   8.359 -14.446  -8.735
  482   2HG   PRO  48          3HG       PRO  48   9.350 -15.027  -7.367
  483   1HD   PRO  48          2HD       PRO  48   6.647 -14.595  -7.308
  484   2HD   PRO  48          3HD       PRO  48   7.612 -14.464  -5.815
  485    QB   PRO  48           QB       PRO  48   9.977 -12.738  -7.715
  486    QG   PRO  48           QG       PRO  48   8.854 -14.736  -8.051
  487    QD   PRO  48           QD       PRO  48   7.130 -14.529  -6.562
  488    H    GLY  49           HN       GLY  49   9.147 -10.123  -9.094
  489   1HA   GLY  49          1HA       GLY  49   8.551  -9.138 -11.045
  490   2HA   GLY  49          2HA       GLY  49   7.552 -10.554 -11.386
  491    QA   GLY  49           QA       GLY  49   8.052  -9.846 -11.216
  492    H    VAL  50           HN       VAL  50   6.928  -8.846  -8.415
  493    HA   VAL  50           HA       VAL  50   4.752  -7.162  -9.569
  494    HB   VAL  50           HB       VAL  50   4.751  -8.812  -6.998
  495   1HG1  VAL  50          3HG1      VAL  50   2.742  -6.763  -8.002
  496   2HG1  VAL  50          1HG1      VAL  50   2.431  -7.928  -6.702
  497   3HG1  VAL  50          2HG1      VAL  50   3.692  -6.708  -6.509
  498   1HG2  VAL  50          3HG2      VAL  50   3.003  -8.994  -9.491
  499   2HG2  VAL  50          1HG2      VAL  50   4.220 -10.179  -8.977
  500   3HG2  VAL  50          2HG2      VAL  50   2.771  -9.925  -7.998
  501    QG1  VAL  50           QG1      VAL  50   2.955  -7.133  -7.071
  502    QG2  VAL  50           QG2      VAL  50   3.331  -9.699  -8.822
  503    QQG  VAL  50           QQG      VAL  50   3.143  -8.416  -7.947
  504    H    GLY  51           HN       GLY  51   5.241  -5.024  -9.104
  505   1HA   GLY  51          1HA       GLY  51   7.525  -4.442  -7.516
  506   2HA   GLY  51          2HA       GLY  51   6.491  -3.223  -8.233
  507    QA   GLY  51           QA       GLY  51   7.008  -3.832  -7.874
  508    H    ILE  52           HN       ILE  52   7.394  -2.941  -5.767
  509    HA   ILE  52           HA       ILE  52   5.042  -2.948  -4.053
  510    HB   ILE  52           HB       ILE  52   5.802  -5.193  -3.665
  511   1HG1  ILE  52          2HG1      ILE  52   6.488  -5.170  -1.275
  512   2HG1  ILE  52          3HG1      ILE  52   6.704  -3.433  -1.337
  513   1HG2  ILE  52          3HG2      ILE  52   8.108  -5.037  -4.515
  514   2HG2  ILE  52          1HG2      ILE  52   8.582  -4.087  -3.090
  515   3HG2  ILE  52          2HG2      ILE  52   8.061  -5.771  -2.915
  516   1HD1  ILE  52          3HD1      ILE  52   4.105  -4.962  -1.858
  517   2HD1  ILE  52          1HD1      ILE  52   4.525  -4.096  -0.368
  518   3HD1  ILE  52          2HD1      ILE  52   4.275  -3.197  -1.871
  519    QG1  ILE  52           QG1      ILE  52   6.596  -4.302  -1.306
  520    QG2  ILE  52           QG2      ILE  52   8.250  -4.965  -3.506
  521    QD1  ILE  52           QD1      ILE  52   4.302  -4.085  -1.366
  522    H    HIS  53           HN       HIS  53   5.224  -1.419  -2.397
  523    HA   HIS  53           HA       HIS  53   7.812  -0.351  -1.634
  524   1HB   HIS  53          2HB       HIS  53   7.288   1.016  -3.680
  525   2HB   HIS  53          3HB       HIS  53   5.768   1.512  -2.924
  526    HD1  HIS  53           HD1      HIS  53   9.544   2.103  -2.695
  527    HD2  HIS  53           HD2      HIS  53   5.969   3.158  -0.712
  528    HE1  HIS  53           HE1      HIS  53  10.163   3.901  -0.958
  529    HE2  HIS  53           HE2      HIS  53   7.984   4.493   0.259
  530    QB   HIS  53           QB       HIS  53   6.528   1.264  -3.302
  531    H    CYS  54           HN       CYS  54   7.673   0.348   0.495
  532    HA   CYS  54           HA       CYS  54   4.993   0.598   1.770
  533   1HB   CYS  54          2HB       CYS  54   7.542  -0.557   2.936
  534   2HB   CYS  54          3HB       CYS  54   6.029  -0.263   3.801
  535    QB   CYS  54           QB       CYS  54   6.786  -0.410   3.369
  536    H    CYS  55           HN       CYS  55   4.948   2.210   3.594
  537    HA   CYS  55           HA       CYS  55   7.242   3.901   4.010
  538   1HB   CYS  55          2HB       CYS  55   6.054   5.957   3.234
  539   2HB   CYS  55          3HB       CYS  55   6.638   4.898   1.974
  540    QB   CYS  55           QB       CYS  55   6.346   5.428   2.604
  541    H    GLN  56           HN       GLN  56   6.708   5.606   5.523
  542    HA   GLN  56           HA       GLN  56   4.794   4.581   7.594
  543   1HB   GLN  56          2HB       GLN  56   7.488   5.911   8.082
  544   2HB   GLN  56          3HB       GLN  56   6.473   4.996   9.197
  545   1HG   GLN  56          2HG       GLN  56   8.193   3.522   8.709
  546   2HG   GLN  56          3HG       GLN  56   6.882   2.960   7.662
  547   1HE2  GLN  56          2HE2      GLN  56   9.887   2.901   5.543
  548   2HE2  GLN  56          1HE2      GLN  56   9.172   1.984   6.856
  549    QB   GLN  56           QB       GLN  56   6.981   5.453   8.639
  550    QG   GLN  56           QG       GLN  56   7.537   3.241   8.185
  551    QE2  GLN  56           QE2      GLN  56   9.529   2.442   6.199
  552    H    SER  57           HN       SER  57   3.778   6.564   5.919
  553    HA   SER  57           HA       SER  57   3.323   8.597   8.018
  554   1HB   SER  57          2HB       SER  57   3.078   9.937   5.515
  555   2HB   SER  57          3HB       SER  57   4.119  10.305   6.886
  556    HG   SER  57           HG       SER  57   5.364   9.944   5.020
  557    QB   SER  57           QB       SER  57   3.599  10.121   6.200
  558    H    ASP  58           HN       ASP  58   1.162   9.207   8.199
  559    HA   ASP  58           HA       ASP  58  -0.870   7.607   7.028
  560   1HB   ASP  58          2HB       ASP  58  -2.262   9.789   7.641
  561   2HB   ASP  58          3HB       ASP  58  -1.685   8.758   8.904
  562    QB   ASP  58           QB       ASP  58  -1.973   9.273   8.273
  563    H    LYS  59           HN       LYS  59  -2.005   7.876   5.187
  564    HA   LYS  59           HA       LYS  59  -2.375   8.322   3.007
  565   1HB   LYS  59          2HB       LYS  59  -1.329  11.162   3.522
  566   2HB   LYS  59          3HB       LYS  59  -2.281  10.612   2.173
  567   1HG   LYS  59          2HG       LYS  59  -3.843  11.659   3.395
  568   2HG   LYS  59          3HG       LYS  59  -4.098   9.966   3.906
  569   1HD   LYS  59          2HD       LYS  59  -3.557  10.381   6.033
  570   2HD   LYS  59          3HD       LYS  59  -2.196  11.442   5.618
  571   1HE   LYS  59          2HE       LYS  59  -3.786  12.729   6.849
  572   2HE   LYS  59          3HE       LYS  59  -3.713  13.319   5.184
  573   1HZ   LYS  59          3HZ       LYS  59  -5.797  11.545   6.296
  574   2HZ   LYS  59          1HZ       LYS  59  -5.966  13.148   5.971
  575   3HZ   LYS  59          2HZ       LYS  59  -5.742  12.083   4.739
  576    QB   LYS  59           QB       LYS  59  -1.805  10.887   2.848
  577    QG   LYS  59           QG       LYS  59  -3.971  10.812   3.650
  578    QD   LYS  59           QD       LYS  59  -2.876  10.912   5.826
  579    QE   LYS  59           QE       LYS  59  -3.749  13.024   6.017
  580    QZ   LYS  59           QZ       LYS  59  -5.835  12.259   5.669
  581    H    CYS  60           HN       CYS  60   0.770   7.970   3.996
  582    HA   CYS  60           HA       CYS  60   2.214   9.215   1.966
  583   1HB   CYS  60          2HB       CYS  60   4.063   7.851   2.569
  584   2HB   CYS  60          3HB       CYS  60   3.129   8.196   4.007
  585    QB   CYS  60           QB       CYS  60   3.596   8.023   3.288
  586    H    ASN  61           HN       ASN  61   0.386   6.188   1.723
  587    HA   ASN  61           HA       ASN  61   1.878   5.353  -0.643
  588   1HB   ASN  61          2HB       ASN  61   0.623   3.338  -0.551
  589   2HB   ASN  61          3HB       ASN  61   1.250   3.707   1.055
  590   1HD2  ASN  61          2HD2      ASN  61  -2.490   2.704   0.963
  591   2HD2  ASN  61          1HD2      ASN  61  -1.016   1.964   0.334
  592    QB   ASN  61           QB       ASN  61   0.936   3.523   0.252
  593    QD2  ASN  61           QD2      ASN  61  -1.753   2.334   0.648
  594    OH   TYR  62           OH       TYR  62  -3.069  12.698  -6.581
  595    H    TYR  62           HN       TYR  62   0.916   7.685  -1.385
  596    HA   TYR  62           HA       TYR  62  -1.681   7.403  -2.726
  597   1HB   TYR  62          2HB       TYR  62  -1.009   9.585  -1.752
  598   2HB   TYR  62          3HB       TYR  62   0.432   9.519  -2.748
  599    HD1  TYR  62           HD1      TYR  62  -3.125   9.055  -3.893
  600    HD2  TYR  62           HD2      TYR  62   0.425  11.493  -3.929
  601    HE1  TYR  62           HE1      TYR  62  -4.170  10.556  -5.555
  602    HE2  TYR  62           HE2      TYR  62  -0.628  12.992  -5.580
  603    HH   TYR  62           HH       TYR  62  -2.505  13.426  -6.848
  604    QB   TYR  62           QB       TYR  62  -0.288   9.552  -2.250
  605    QR   TYR  62           QR       TYR  62  -1.874  11.024  -4.740
   
  Start of MODEL          10
 Raw file had 605 H/Q atoms
  Start of MODEL   10
    1    NH1  ARG   1           NH2      ARG   1  -0.189   5.858   6.540
    2    NH2  ARG   1           NH1      ARG   1   1.880   4.920   6.830
    3    H    ARG   1           HN       ARG   1  -4.636   4.546  11.676
    4    HA   ARG   1           HA       ARG   1  -3.029   6.899  10.798
    5   1HB   ARG   1          2HB       ARG   1  -1.548   5.108  11.562
    6   2HB   ARG   1          3HB       ARG   1  -2.527   3.893  10.743
    7   1HG   ARG   1          2HG       ARG   1  -0.589   4.144   9.504
    8   2HG   ARG   1          3HG       ARG   1  -1.862   4.798   8.520
    9   1HD   ARG   1          2HD       ARG   1  -1.011   7.028   8.768
   10   2HD   ARG   1          3HD       ARG   1  -0.203   6.685  10.269
   11    HE   ARG   1           HE       ARG   1   1.587   5.677   9.228
   12   1HH1  ARG   1          2HH2      ARG   1  -1.075   6.243   6.861
   13   2HH1  ARG   1          1HH2      ARG   1  -0.093   5.676   5.556
   14   1HH2  ARG   1          2HH1      ARG   1   2.515   4.516   7.516
   15   2HH2  ARG   1          1HH1      ARG   1   1.871   4.569   5.881
   16    QB   ARG   1           QB       ARG   1  -2.037   4.501  11.153
   17    QG   ARG   1           QG       ARG   1  -1.225   4.471   9.012
   18    QD   ARG   1           QD       ARG   1  -0.607   6.857   9.518
   19    QH1  ARG   1           QH2      ARG   1  -0.584   5.960   6.209
   20    QH2  ARG   1           QH1      ARG   1   2.193   4.543   6.699
   21    H    ILE   2           HN       ILE   2  -3.420   7.537   8.582
   22    HA   ILE   2           HA       ILE   2  -5.584   6.002   7.237
   23    HB   ILE   2           HB       ILE   2  -4.558   8.714   6.468
   24   1HG1  ILE   2          2HG1      ILE   2  -5.103   9.022   8.797
   25   2HG1  ILE   2          3HG1      ILE   2  -6.285   9.801   7.765
   26   1HG2  ILE   2          3HG2      ILE   2  -6.062   7.497   4.889
   27   2HG2  ILE   2          1HG2      ILE   2  -7.272   7.331   6.156
   28   3HG2  ILE   2          2HG2      ILE   2  -6.854   8.942   5.553
   29   1HD1  ILE   2          2HD1      ILE   2  -6.710   7.128   9.179
   30   2HD1  ILE   2          3HD1      ILE   2  -7.335   8.705   9.691
   31   3HD1  ILE   2          1HD1      ILE   2  -7.912   7.987   8.185
   32    QG1  ILE   2           QG1      ILE   2  -5.694   9.412   8.281
   33    QG2  ILE   2           QG2      ILE   2  -6.729   7.923   5.533
   34    QD1  ILE   2           QD1      ILE   2  -7.319   7.940   9.018
   35    H    CYS   3           HN       CYS   3  -5.296   5.071   5.222
   36    HA   CYS   3           HA       CYS   3  -2.736   5.463   3.747
   37   1HB   CYS   3          2HB       CYS   3  -3.970   2.804   4.574
   38   2HB   CYS   3          3HB       CYS   3  -2.822   2.962   3.247
   39    QB   CYS   3           QB       CYS   3  -3.396   2.883   3.910
   40    OH   TYR   4           OH       TYR   4  -3.910  10.758  -1.430
   41    H    TYR   4           HN       TYR   4  -3.006   4.786   1.420
   42    HA   TYR   4           HA       TYR   4  -5.833   5.035   0.550
   43   1HB   TYR   4          2HB       TYR   4  -3.377   4.607  -1.217
   44   2HB   TYR   4          3HB       TYR   4  -5.014   4.847  -1.676
   45    HD1  TYR   4           HD1      TYR   4  -6.263   6.970  -0.623
   46    HD2  TYR   4           HD2      TYR   4  -1.992   6.638  -1.081
   47    HE1  TYR   4           HE1      TYR   4  -6.110   9.422  -0.953
   48    HE2  TYR   4           HE2      TYR   4  -1.863   9.099  -1.400
   49    HH   TYR   4           HH       TYR   4  -3.050  11.062  -1.731
   50    QB   TYR   4           QB       TYR   4  -4.195   4.727  -1.446
   51    QR   TYR   4           QR       TYR   4  -4.057   8.032  -1.015
   52    H    ASN   5           HN       ASN   5  -6.999   3.373  -0.263
   53    HA   ASN   5           HA       ASN   5  -5.777   0.653  -0.229
   54   1HB   ASN   5          2HB       ASN   5  -7.771  -0.323   0.602
   55   2HB   ASN   5          3HB       ASN   5  -7.291   0.937   1.739
   56   1HD2  ASN   5          2HD2      ASN   5 -10.081   3.100   0.858
   57   2HD2  ASN   5          1HD2      ASN   5  -8.398   3.140   1.362
   58    QB   ASN   5           QB       ASN   5  -7.531   0.307   1.171
   59    QD2  ASN   5           QD2      ASN   5  -9.240   3.120   1.110
   60    H    HIS   6           HN       HIS   6  -6.563   3.040  -2.196
   61    HA   HIS   6           HA       HIS   6  -8.573   1.840  -3.851
   62   1HB   HIS   6          2HB       HIS   6  -7.950   3.709  -5.413
   63   2HB   HIS   6          3HB       HIS   6  -8.578   4.075  -3.817
   64    HD1  HIS   6           HD1      HIS   6  -7.353   6.203  -2.877
   65    HD2  HIS   6           HD2      HIS   6  -4.911   3.752  -5.292
   66    HE1  HIS   6           HE1      HIS   6  -5.210   7.571  -3.482
   67    HE2  HIS   6           HE2      HIS   6  -3.808   6.057  -4.925
   68    QB   HIS   6           QB       HIS   6  -8.264   3.892  -4.615
   69    H    GLN   7           HN       GLN   7  -8.449   0.814  -5.722
   70    HA   GLN   7           HA       GLN   7  -5.862  -0.354  -6.567
   71   1HB   GLN   7          2HB       GLN   7  -7.619  -1.877  -5.894
   72   2HB   GLN   7          3HB       GLN   7  -8.773  -1.154  -7.020
   73   1HG   GLN   7          2HG       GLN   7  -7.551  -2.050  -8.925
   74   2HG   GLN   7          3HG       GLN   7  -6.229  -2.604  -7.876
   75   1HE2  GLN   7          2HE2      GLN   7  -7.999  -5.425  -6.600
   76   2HE2  GLN   7          1HE2      GLN   7  -6.725  -4.278  -6.225
   77    QB   GLN   7           QB       GLN   7  -8.196  -1.516  -6.457
   78    QG   GLN   7           QG       GLN   7  -6.890  -2.327  -8.400
   79    QE2  GLN   7           QE2      GLN   7  -7.362  -4.852  -6.413
   80    H    SER   8           HN       SER   8  -5.674  -0.591  -9.029
   81    HA   SER   8           HA       SER   8  -6.104   1.842 -10.464
   82   1HB   SER   8          2HB       SER   8  -5.650   0.243 -12.455
   83   2HB   SER   8          3HB       SER   8  -4.397   0.666 -11.296
   84    HG   SER   8           HG       SER   8  -6.078  -1.639 -11.275
   85    QB   SER   8           QB       SER   8  -5.024   0.455 -11.876
   86    H    THR   9           HN       THR   9  -8.522   2.022  -9.895
   87    HA   THR   9           HA       THR   9 -10.132   0.983 -12.143
   88    HB   THR   9           HB       THR   9 -10.253  -0.822 -10.501
   89    HG1  THR   9          1HG       THR   9 -12.024  -0.562 -11.760
   90   1HG2  THR   9          3HG2      THR   9  -9.991   0.487  -8.392
   91   2HG2  THR   9          1HG2      THR   9 -11.649   1.095  -8.592
   92   3HG2  THR   9          2HG2      THR   9 -11.364  -0.635  -8.388
   93    QG2  THR   9           QG2      THR   9 -11.002   0.316  -8.457
   94    H    THR  10           HN       THR  10  -9.459   3.441 -12.221
   95    HA   THR  10           HA       THR  10 -10.276   5.607 -12.336
   96    HB   THR  10           HB       THR  10 -12.391   5.971 -12.852
   97    HG1  THR  10          1HG       THR  10 -13.098   3.736 -11.278
   98   1HG2  THR  10          2HG2      THR  10 -11.343   4.414 -14.442
   99   2HG2  THR  10          3HG2      THR  10 -12.093   3.040 -13.594
  100   3HG2  THR  10          1HG2      THR  10 -13.108   4.257 -14.380
  101    QG2  THR  10           QG2      THR  10 -12.181   3.904 -14.139
  102    NH1  ARG  11           NH2      ARG  11 -18.390   8.108  -6.898
  103    NH2  ARG  11           NH1      ARG  11 -18.480   9.090  -8.996
  104    H    ARG  11           HN       ARG  11 -12.712   6.045 -10.717
  105    HA   ARG  11           HA       ARG  11 -11.836   7.924  -8.934
  106   1HB   ARG  11          2HB       ARG  11 -14.214   7.481  -9.478
  107   2HB   ARG  11          3HB       ARG  11 -14.187   6.079  -8.393
  108   1HG   ARG  11          2HG       ARG  11 -13.522   7.672  -6.509
  109   2HG   ARG  11          3HG       ARG  11 -13.778   9.017  -7.626
  110   1HD   ARG  11          2HD       ARG  11 -15.833   6.921  -6.792
  111   2HD   ARG  11          3HD       ARG  11 -15.687   8.556  -6.102
  112    HE   ARG  11           HE       ARG  11 -15.963   8.845  -8.897
  113   1HH1  ARG  11          2HH2      ARG  11 -17.841   7.715  -6.147
  114   2HH1  ARG  11          1HH2      ARG  11 -19.394   8.139  -6.798
  115   1HH2  ARG  11          2HH1      ARG  11 -18.020   9.440  -9.824
  116   2HH2  ARG  11          1HH1      ARG  11 -19.486   9.150  -8.949
  117    QB   ARG  11           QB       ARG  11 -14.201   6.780  -8.936
  118    QG   ARG  11           QG       ARG  11 -13.650   8.345  -7.068
  119    QD   ARG  11           QD       ARG  11 -15.760   7.738  -6.447
  120    QH1  ARG  11           QH2      ARG  11 -18.617   7.927  -6.472
  121    QH2  ARG  11           QH1      ARG  11 -18.753   9.295  -9.387
  122    H    ALA  12           HN       ALA  12 -10.617   7.987  -7.183
  123    HA   ALA  12           HA       ALA  12  -9.723   5.538  -5.833
  124   1HB   ALA  12          3HB       ALA  12  -8.867   8.459  -5.883
  125   2HB   ALA  12          1HB       ALA  12  -8.128   7.281  -4.810
  126   3HB   ALA  12          2HB       ALA  12  -8.021   7.052  -6.569
  127    QB   ALA  12           QB       ALA  12  -8.339   7.597  -5.754
  128    H    THR  13           HN       THR  13  -9.386   5.644  -3.364
  129    HA   THR  13           HA       THR  13 -11.191   7.316  -1.827
  130    HB   THR  13           HB       THR  13 -11.997   5.212  -0.620
  131    HG1  THR  13          1HG       THR  13 -11.410   3.834  -2.997
  132   1HG2  THR  13          1HG2      THR  13 -13.472   6.457  -2.227
  133   2HG2  THR  13          2HG2      THR  13 -12.967   5.338  -3.508
  134   3HG2  THR  13          3HG2      THR  13 -13.830   4.727  -2.090
  135    QG2  THR  13           QG2      THR  13 -13.423   5.507  -2.608
  136    H    THR  14           HN       THR  14 -10.700   6.773   0.568
  137    HA   THR  14           HA       THR  14  -7.883   5.980   1.111
  138    HB   THR  14           HB       THR  14  -8.395   7.601   3.123
  139    HG1  THR  14          1HG       THR  14  -9.969   9.165   2.585
  140   1HG2  THR  14          3HG2      THR  14  -8.058   8.673   0.294
  141   2HG2  THR  14          1HG2      THR  14  -7.775   9.613   1.776
  142   3HG2  THR  14          2HG2      THR  14  -6.770   8.194   1.434
  143    QG2  THR  14           QG2      THR  14  -7.534   8.827   1.168
  144    H    LYS  15           HN       LYS  15  -7.678   5.056   3.415
  145    HA   LYS  15           HA       LYS  15 -10.107   4.687   4.873
  146   1HB   LYS  15          2HB       LYS  15 -10.200   2.760   3.259
  147   2HB   LYS  15          3HB       LYS  15  -8.750   2.089   4.017
  148   1HG   LYS  15          2HG       LYS  15 -11.204   2.751   5.671
  149   2HG   LYS  15          3HG       LYS  15 -11.296   1.380   4.578
  150   1HD   LYS  15          2HD       LYS  15  -8.816   1.428   6.179
  151   2HD   LYS  15          3HD       LYS  15 -10.313   1.223   7.138
  152   1HE   LYS  15          2HE       LYS  15 -10.836  -0.770   5.763
  153   2HE   LYS  15          3HE       LYS  15  -9.387  -0.475   4.781
  154   1HZ   LYS  15          1HZ       LYS  15  -8.071  -0.732   6.814
  155   2HZ   LYS  15          2HZ       LYS  15  -9.417  -1.071   7.673
  156   3HZ   LYS  15          3HZ       LYS  15  -8.935  -2.097   6.477
  157    QB   LYS  15           QB       LYS  15  -9.475   2.425   3.638
  158    QG   LYS  15           QG       LYS  15 -11.250   2.065   5.124
  159    QD   LYS  15           QD       LYS  15  -9.565   1.326   6.658
  160    QE   LYS  15           QE       LYS  15 -10.111  -0.623   5.272
  161    QZ   LYS  15           QZ       LYS  15  -8.808  -1.300   6.988
  162    H    SER  16           HN       SER  16  -9.548   3.357   6.892
  163    HA   SER  16           HA       SER  16  -6.968   4.420   7.948
  164   1HB   SER  16          2HB       SER  16  -8.997   5.514   8.824
  165   2HB   SER  16          3HB       SER  16  -9.516   3.963   9.521
  166    HG   SER  16           HG       SER  16  -7.709   4.005  10.847
  167    QB   SER  16           QB       SER  16  -9.257   4.738   9.173
  168    H    CYS  17           HN       CYS  17  -5.769   3.277   9.409
  169    HA   CYS  17           HA       CYS  17  -6.408   0.466  10.045
  170   1HB   CYS  17          2HB       CYS  17  -4.328   1.290   8.268
  171   2HB   CYS  17          3HB       CYS  17  -3.760   0.258   9.579
  172    QB   CYS  17           QB       CYS  17  -4.044   0.774   8.924
  173    H    GLU  20           HN       GLU  20  -4.942  -0.296  11.817
  174    HA   GLU  20           HA       GLU  20  -4.211   1.828  13.700
  175   1HB   GLU  20          2HB       GLU  20  -3.825   0.061  15.268
  176   2HB   GLU  20          3HB       GLU  20  -5.388  -0.100  14.488
  177   1HG   GLU  20          2HG       GLU  20  -4.706  -2.277  14.543
  178   2HG   GLU  20          3HG       GLU  20  -4.190  -1.866  12.913
  179    QB   GLU  20           QB       GLU  20  -4.607  -0.019  14.878
  180    QG   GLU  20           QG       GLU  20  -4.448  -2.071  13.728
  181    H    GLU  21           HN       GLU  21  -2.527  -0.810  11.902
  182    HA   GLU  21           HA       GLU  21   0.015  -0.354  12.562
  183   1HB   GLU  21          2HB       GLU  21  -0.541  -0.640   9.612
  184   2HB   GLU  21          3HB       GLU  21   0.769  -1.332  10.558
  185   1HG   GLU  21          2HG       GLU  21  -0.875  -2.823  11.694
  186   2HG   GLU  21          3HG       GLU  21  -2.136  -2.225  10.568
  187    QB   GLU  21           QB       GLU  21   0.114  -0.986  10.085
  188    QG   GLU  21           QG       GLU  21  -1.506  -2.524  11.131
  189    H    ASN  22           HN       ASN  22   1.662   1.049  12.101
  190    HA   ASN  22           HA       ASN  22   0.871   3.692  11.115
  191   1HB   ASN  22          2HB       ASN  22   2.285   3.503  13.116
  192   2HB   ASN  22          3HB       ASN  22   3.583   2.819  12.117
  193   1HD2  ASN  22          2HD2      ASN  22   4.722   6.185  11.788
  194   2HD2  ASN  22          1HD2      ASN  22   5.048   4.602  12.472
  195    QB   ASN  22           QB       ASN  22   2.934   3.161  12.616
  196    QD2  ASN  22           QD2      ASN  22   4.885   5.393  12.130
  197    H    SER  23           HN       SER  23   2.181   0.844   9.613
  198    HA   SER  23           HA       SER  23   3.565   2.335   7.507
  199   1HB   SER  23          2HB       SER  23   3.586  -0.191   6.668
  200   2HB   SER  23          3HB       SER  23   4.704   0.438   7.866
  201    HG   SER  23           HG       SER  23   3.604  -1.547   8.542
  202    QB   SER  23           QB       SER  23   4.145   0.124   7.267
  203    H    CYS  24           HN       CYS  24   3.017   2.064   5.367
  204    HA   CYS  24           HA       CYS  24   0.387   0.881   4.671
  205   1HB   CYS  24          2HB       CYS  24   1.655   3.142   3.091
  206   2HB   CYS  24          3HB       CYS  24   0.133   2.291   2.765
  207    QB   CYS  24           QB       CYS  24   0.894   2.717   2.928
  208    OH   TYR  25           OH       TYR  25  -2.153  -5.359   0.525
  209    H    TYR  25           HN       TYR  25   0.530  -0.061   2.483
  210    HA   TYR  25           HA       TYR  25   3.215  -0.144   1.314
  211   1HB   TYR  25          2HB       TYR  25   3.179  -2.407   0.770
  212   2HB   TYR  25          3HB       TYR  25   2.769  -2.345   2.471
  213    HD1  TYR  25           HD1      TYR  25   0.200  -2.385   3.039
  214    HD2  TYR  25           HD2      TYR  25   1.825  -3.580  -0.763
  215    HE1  TYR  25           HE1      TYR  25  -1.755  -3.861   2.674
  216    HE2  TYR  25           HE2      TYR  25  -0.158  -5.027  -1.153
  217    HH   TYR  25           HH       TYR  25  -2.818  -5.306   1.213
  218    QB   TYR  25           QB       TYR  25   2.974  -2.376   1.620
  219    QR   TYR  25           QR       TYR  25   0.028  -3.713   0.949
  220    H    LYS  26           HN       LYS  26   3.285  -0.669  -0.843
  221    HA   LYS  26           HA       LYS  26   0.947   0.065  -2.512
  222   1HB   LYS  26          2HB       LYS  26   2.699   1.926  -2.123
  223   2HB   LYS  26          3HB       LYS  26   3.883   0.872  -2.906
  224   1HG   LYS  26          2HG       LYS  26   2.313   0.796  -4.936
  225   2HG   LYS  26          3HG       LYS  26   1.315   1.972  -4.066
  226   1HD   LYS  26          2HD       LYS  26   3.383   3.430  -3.863
  227   2HD   LYS  26          3HD       LYS  26   4.208   2.340  -5.000
  228   1HE   LYS  26          2HE       LYS  26   2.450   2.848  -6.726
  229   2HE   LYS  26          3HE       LYS  26   1.547   3.721  -5.476
  230   1HZ   LYS  26          1HZ       LYS  26   3.387   5.261  -5.254
  231   2HZ   LYS  26          2HZ       LYS  26   3.997   4.730  -6.735
  232   3HZ   LYS  26          3HZ       LYS  26   2.478   5.402  -6.485
  233    QB   LYS  26           QB       LYS  26   3.291   1.399  -2.514
  234    QG   LYS  26           QG       LYS  26   1.814   1.384  -4.501
  235    QD   LYS  26           QD       LYS  26   3.795   2.885  -4.432
  236    QE   LYS  26           QE       LYS  26   1.998   3.285  -6.101
  237    QZ   LYS  26           QZ       LYS  26   3.287   5.131  -6.158
  238    H    LYS  27           HN       LYS  27   0.730  -1.485  -4.163
  239    HA   LYS  27           HA       LYS  27   3.010  -3.274  -4.825
  240   1HB   LYS  27          2HB       LYS  27   1.659  -4.454  -3.225
  241   2HB   LYS  27          3HB       LYS  27   0.160  -3.969  -4.028
  242   1HG   LYS  27          2HG       LYS  27   0.810  -5.345  -6.010
  243   2HG   LYS  27          3HG       LYS  27   2.298  -5.837  -5.167
  244   1HD   LYS  27          2HD       LYS  27   1.045  -6.895  -3.397
  245   2HD   LYS  27          3HD       LYS  27  -0.488  -6.270  -3.981
  246   1HE   LYS  27          2HE       LYS  27   1.233  -8.220  -5.578
  247   2HE   LYS  27          3HE       LYS  27  -0.057  -8.701  -4.450
  248   1HZ   LYS  27          2HZ       LYS  27  -1.614  -7.405  -5.727
  249   2HZ   LYS  27          3HZ       LYS  27  -0.479  -7.051  -6.843
  250   3HZ   LYS  27          1HZ       LYS  27  -0.953  -8.606  -6.636
  251    QB   LYS  27           QB       LYS  27   0.910  -4.211  -3.626
  252    QG   LYS  27           QG       LYS  27   1.554  -5.591  -5.589
  253    QD   LYS  27           QD       LYS  27   0.278  -6.582  -3.689
  254    QE   LYS  27           QE       LYS  27   0.588  -8.461  -5.014
  255    QZ   LYS  27           QZ       LYS  27  -1.015  -7.687  -6.402
  256    OH   TYR  28           OH       TYR  28   7.851   0.398  -6.911
  257    H    TYR  28           HN       TYR  28   3.347  -3.007  -7.088
  258    HA   TYR  28           HA       TYR  28   1.029  -2.240  -8.765
  259   1HB   TYR  28          2HB       TYR  28   2.384  -0.387  -9.572
  260   2HB   TYR  28          3HB       TYR  28   1.802  -0.157  -7.936
  261    HD1  TYR  28           HD2      TYR  28   3.552  -0.725  -6.005
  262    HD2  TYR  28           HD1      TYR  28   4.649  -0.005 -10.114
  263    HE1  TYR  28           HE2      TYR  28   5.839  -0.178  -5.292
  264    HE2  TYR  28           HE1      TYR  28   6.958   0.517  -9.393
  265    HH   TYR  28           HH       TYR  28   7.997   0.213  -5.982
  266    QB   TYR  28           QB       TYR  28   2.093  -0.272  -8.754
  267    QR   TYR  28           QR       TYR  28   5.250  -0.098  -7.701
  268    CH2  TRP  29           CH2      TRP  29  -2.075  -6.119  -8.713
  269    H    TRP  29           HN       TRP  29   1.206  -2.765 -10.910
  270    HA   TRP  29           HA       TRP  29   3.783  -3.688 -11.963
  271   1HB   TRP  29          2HB       TRP  29   2.902  -5.830 -12.653
  272   2HB   TRP  29          3HB       TRP  29   2.993  -5.690 -10.914
  273    HD1  TRP  29           HD1      TRP  29   0.801  -6.796 -13.599
  274    HE1  TRP  29           HE1      TRP  29  -1.459  -7.546 -12.706
  275    HE3  TRP  29           HE3      TRP  29   1.000  -4.689  -8.907
  276    HZ2  TRP  29           HZ2      TRP  29  -2.963  -7.359 -10.243
  277    HZ3  TRP  29           HZ3      TRP  29  -0.954  -4.805  -7.428
  278    HH2  TRP  29           HH2      TRP  29  -2.916  -6.199  -8.038
  279    QB   TRP  29           QB       TRP  29   2.948  -5.760 -11.784
  280    NH1  ARG  30           NH2      ARG  30   4.143  -3.393 -20.646
  281    NH2  ARG  30           NH1      ARG  30   6.418  -3.735 -20.423
  282    H    ARG  30           HN       ARG  30   3.760  -3.951 -14.267
  283    HA   ARG  30           HA       ARG  30   1.706  -2.285 -15.620
  284   1HB   ARG  30          2HB       ARG  30   4.053  -1.629 -15.878
  285   2HB   ARG  30          3HB       ARG  30   4.396  -3.194 -16.657
  286   1HG   ARG  30          2HG       ARG  30   2.682  -2.523 -18.418
  287   2HG   ARG  30          3HG       ARG  30   2.507  -0.977 -17.612
  288   1HD   ARG  30          2HD       ARG  30   3.956  -0.804 -19.560
  289   2HD   ARG  30          3HD       ARG  30   4.845  -0.451 -18.080
  290    HE   ARG  30           HE       ARG  30   6.218  -2.213 -18.459
  291   1HH1  ARG  30          2HH2      ARG  30   3.236  -3.142 -20.245
  292   2HH1  ARG  30          1HH2      ARG  30   4.116  -3.995 -21.452
  293   1HH2  ARG  30          2HH1      ARG  30   7.298  -3.538 -19.969
  294   2HH2  ARG  30          1HH1      ARG  30   6.416  -4.373 -21.204
  295    QB   ARG  30           QB       ARG  30   4.224  -2.412 -16.267
  296    QG   ARG  30           QG       ARG  30   2.594  -1.750 -18.015
  297    QD   ARG  30           QD       ARG  30   4.401  -0.627 -18.820
  298    QH1  ARG  30           QH2      ARG  30   3.676  -3.568 -20.848
  299    QH2  ARG  30           QH1      ARG  30   6.857  -3.956 -20.587
  300    H    ASP  31           HN       ASP  31   0.846  -3.109 -17.603
  301    HA   ASP  31           HA       ASP  31   1.292  -5.960 -18.223
  302   1HB   ASP  31          2HB       ASP  31  -0.898  -6.661 -18.245
  303   2HB   ASP  31          3HB       ASP  31  -0.795  -5.721 -16.762
  304    QB   ASP  31           QB       ASP  31  -0.846  -6.191 -17.504
  305    H    HIS  32           HN       HIS  32  -0.921  -5.657 -20.225
  306    HA   HIS  32           HA       HIS  32   0.847  -4.596 -22.390
  307   1HB   HIS  32          2HB       HIS  32  -1.030  -5.688 -23.858
  308   2HB   HIS  32          3HB       HIS  32   0.347  -6.557 -23.219
  309    HD1  HIS  32           HD1      HIS  32  -2.744  -5.767 -21.001
  310    HD2  HIS  32           HD2      HIS  32  -0.691  -8.957 -22.865
  311    HE1  HIS  32           HE1      HIS  32  -3.799  -7.900 -20.128
  312    HE2  HIS  32           HE2      HIS  32  -2.529  -9.855 -21.231
  313    QB   HIS  32           QB       HIS  32  -0.341  -6.123 -23.538
  314    NH1  ARG  33           NH2      ARG  33  -3.599   1.002 -26.566
  315    NH2  ARG  33           NH1      ARG  33  -5.639   1.461 -25.575
  316    H    ARG  33           HN       ARG  33   0.429  -2.725 -23.030
  317    HA   ARG  33           HA       ARG  33  -0.351  -0.576 -22.845
  318   1HB   ARG  33          2HB       ARG  33  -2.357  -0.112 -24.180
  319   2HB   ARG  33          3HB       ARG  33  -1.166  -1.115 -25.011
  320   1HG   ARG  33          2HG       ARG  33  -2.484  -3.111 -24.704
  321   2HG   ARG  33          3HG       ARG  33  -3.632  -2.279 -23.644
  322   1HD   ARG  33          2HD       ARG  33  -3.187  -1.605 -26.594
  323   2HD   ARG  33          3HD       ARG  33  -4.438  -2.658 -25.971
  324    HE   ARG  33           HE       ARG  33  -5.543  -0.930 -24.857
  325   1HH1  ARG  33          2HH2      ARG  33  -2.843   0.359 -26.740
  326   2HH1  ARG  33          1HH2      ARG  33  -3.520   1.947 -26.911
  327   1HH2  ARG  33          2HH1      ARG  33  -6.443   1.168 -25.038
  328   2HH2  ARG  33          1HH1      ARG  33  -5.597   2.422 -25.881
  329    QB   ARG  33           QB       ARG  33  -1.762  -0.614 -24.596
  330    QG   ARG  33           QG       ARG  33  -3.058  -2.695 -24.174
  331    QD   ARG  33           QD       ARG  33  -3.813  -2.132 -26.282
  332    QH1  ARG  33           QH2      ARG  33  -3.182   1.153 -26.825
  333    QH2  ARG  33           QH1      ARG  33  -6.020   1.795 -25.459
  334    H    GLY  34           HN       GLY  34  -0.550  -1.643 -20.359
  335   1HA   GLY  34          1HA       GLY  34  -2.668  -0.110 -19.168
  336   2HA   GLY  34          2HA       GLY  34  -2.970  -1.862 -19.102
  337    QA   GLY  34           QA       GLY  34  -2.819  -0.986 -19.135
  338    H    THR  35           HN       THR  35  -2.686  -0.555 -16.754
  339    HA   THR  35           HA       THR  35  -0.271  -1.589 -15.559
  340    HB   THR  35           HB       THR  35  -0.813   1.346 -15.966
  341    HG1  THR  35          1HG       THR  35   1.590  -0.134 -15.782
  342   1HG2  THR  35          2HG2      THR  35   0.641   0.221 -13.538
  343   2HG2  THR  35          3HG2      THR  35   0.805   1.892 -14.134
  344   3HG2  THR  35          1HG2      THR  35  -0.773   1.311 -13.592
  345    QG2  THR  35           QG2      THR  35   0.224   1.141 -13.754
  346    H    ILE  36           HN       ILE  36  -0.658  -2.175 -13.458
  347    HA   ILE  36           HA       ILE  36  -3.404  -1.673 -12.465
  348    HB   ILE  36           HB       ILE  36  -1.775  -4.220 -12.386
  349   1HG1  ILE  36          2HG1      ILE  36  -4.442  -3.609 -13.753
  350   2HG1  ILE  36          3HG1      ILE  36  -2.891  -3.601 -14.599
  351   1HG2  ILE  36          3HG2      ILE  36  -3.120  -3.917 -10.301
  352   2HG2  ILE  36          1HG2      ILE  36  -4.567  -3.622 -11.283
  353   3HG2  ILE  36          2HG2      ILE  36  -3.797  -5.203 -11.294
  354   1HD1  ILE  36          2HD1      ILE  36  -2.518  -5.957 -14.077
  355   2HD1  ILE  36          3HD1      ILE  36  -4.115  -6.049 -13.290
  356   3HD1  ILE  36          1HD1      ILE  36  -3.994  -5.681 -15.013
  357    QG1  ILE  36           QG1      ILE  36  -3.667  -3.605 -14.176
  358    QG2  ILE  36           QG2      ILE  36  -3.828  -4.247 -10.959
  359    QD1  ILE  36           QD1      ILE  36  -3.542  -5.896 -14.127
  360    H    ILE  37           HN       ILE  37  -3.543  -0.882 -10.434
  361    HA   ILE  37           HA       ILE  37  -1.079  -0.691  -8.727
  362    HB   ILE  37           HB       ILE  37  -3.408   1.223  -9.252
  363   1HG1  ILE  37          2HG1      ILE  37  -1.686   2.914  -9.512
  364   2HG1  ILE  37          3HG1      ILE  37  -0.402   1.782  -9.051
  365   1HG2  ILE  37          2HG2      ILE  37  -3.156   1.032  -6.765
  366   2HG2  ILE  37          3HG2      ILE  37  -1.419   1.341  -6.944
  367   3HG2  ILE  37          1HG2      ILE  37  -2.632   2.574  -7.385
  368   1HD1  ILE  37          3HD1      ILE  37  -2.084   1.496 -11.563
  369   2HD1  ILE  37          1HD1      ILE  37  -0.534   2.363 -11.465
  370   3HD1  ILE  37          2HD1      ILE  37  -0.580   0.630 -11.135
  371    QG1  ILE  37           QG1      ILE  37  -1.044   2.348  -9.281
  372    QG2  ILE  37           QG2      ILE  37  -2.403   1.649  -7.031
  373    QD1  ILE  37           QD1      ILE  37  -1.066   1.496 -11.388
  374    H    GLU  38           HN       GLU  38  -1.323  -1.606  -6.713
  375    HA   GLU  38           HA       GLU  38  -4.032  -1.892  -5.539
  376   1HB   GLU  38          2HB       GLU  38  -3.191  -4.079  -6.456
  377   2HB   GLU  38          3HB       GLU  38  -1.767  -3.886  -5.409
  378   1HG   GLU  38          2HG       GLU  38  -3.353  -3.856  -3.423
  379   2HG   GLU  38          3HG       GLU  38  -4.643  -4.330  -4.552
  380    QB   GLU  38           QB       GLU  38  -2.479  -3.983  -5.933
  381    QG   GLU  38           QG       GLU  38  -3.998  -4.093  -3.987
  382    NH1  ARG  39           NH2      ARG  39  -1.857   5.416  -5.996
  383    NH2  ARG  39           NH1      ARG  39  -0.431   4.191  -7.348
  384    H    ARG  39           HN       ARG  39  -3.966  -1.206  -3.305
  385    HA   ARG  39           HA       ARG  39  -1.379  -0.353  -2.139
  386   1HB   ARG  39          2HB       ARG  39  -3.737   1.398  -2.971
  387   2HB   ARG  39          3HB       ARG  39  -2.678   1.856  -1.643
  388   1HG   ARG  39          2HG       ARG  39  -0.722   1.779  -3.050
  389   2HG   ARG  39          3HG       ARG  39  -1.668   1.133  -4.401
  390   1HD   ARG  39          2HD       ARG  39  -2.979   3.218  -4.458
  391   2HD   ARG  39          3HD       ARG  39  -1.813   3.940  -3.320
  392    HE   ARG  39           HE       ARG  39  -0.367   2.659  -5.348
  393   1HH1  ARG  39          2HH2      ARG  39  -1.969   5.654  -5.027
  394   2HH1  ARG  39          1HH2      ARG  39  -1.898   6.139  -6.701
  395   1HH2  ARG  39          2HH1      ARG  39   0.065   3.338  -7.549
  396   2HH2  ARG  39          1HH1      ARG  39  -0.377   4.947  -8.016
  397    QB   ARG  39           QB       ARG  39  -3.207   1.627  -2.307
  398    QG   ARG  39           QG       ARG  39  -1.195   1.456  -3.725
  399    QD   ARG  39           QD       ARG  39  -2.396   3.579  -3.889
  400    QH1  ARG  39           QH2      ARG  39  -1.933   5.896  -5.864
  401    QH2  ARG  39           QH1      ARG  39  -0.156   4.142  -7.783
  402    H    GLY  40           HN       GLY  40  -1.497  -0.355   0.166
  403   1HA   GLY  40          1HA       GLY  40  -4.095  -0.603   1.444
  404   2HA   GLY  40          2HA       GLY  40  -3.190  -2.130   1.402
  405    QA   GLY  40           QA       GLY  40  -3.642  -1.366   1.423
  406    H    CYS  41           HN       CYS  41  -3.669  -1.469   3.791
  407    HA   CYS  41           HA       CYS  41  -1.783   0.414   4.990
  408   1HB   CYS  41          2HB       CYS  41  -3.326   0.482   6.690
  409   2HB   CYS  41          3HB       CYS  41  -4.397  -0.228   5.513
  410    QB   CYS  41           QB       CYS  41  -3.861   0.127   6.101
  411    H    GLY  42           HN       GLY  42  -0.440  -0.325   6.880
  412   1HA   GLY  42          1HA       GLY  42   0.710  -1.921   8.119
  413   2HA   GLY  42          2HA       GLY  42   0.006  -3.213   7.128
  414    QA   GLY  42           QA       GLY  42   0.358  -2.567   7.623
  415    H    CYS  43           HN       CYS  43   2.230  -4.096   7.090
  416    HA   CYS  43           HA       CYS  43   3.318  -3.383   4.444
  417   1HB   CYS  43          2HB       CYS  43   4.789  -2.100   5.926
  418   2HB   CYS  43          3HB       CYS  43   5.193  -3.589   6.796
  419    QB   CYS  43           QB       CYS  43   4.991  -2.845   6.361
  420    HA   PRO  44           HA       PRO  44   3.130  -7.967   5.071
  421   1HB   PRO  44          2HB       PRO  44   1.322  -8.604   3.142
  422   2HB   PRO  44          3HB       PRO  44   0.803  -7.988   4.740
  423   1HG   PRO  44          2HG       PRO  44   1.175  -6.386   2.185
  424   2HG   PRO  44          3HG       PRO  44  -0.267  -6.425   3.245
  425   1HD   PRO  44          2HD       PRO  44   1.676  -4.506   3.464
  426   2HD   PRO  44          3HD       PRO  44   0.821  -5.131   4.904
  427    QB   PRO  44           QB       PRO  44   1.063  -8.296   3.941
  428    QG   PRO  44           QG       PRO  44   0.454  -6.405   2.715
  429    QD   PRO  44           QD       PRO  44   1.249  -4.819   4.184
  430    H    LYS  45           HN       LYS  45   3.838  -9.559   3.403
  431    HA   LYS  45           HA       LYS  45   5.601  -8.363   1.345
  432   1HB   LYS  45          2HB       LYS  45   6.538  -9.993   2.805
  433   2HB   LYS  45          3HB       LYS  45   5.312 -11.210   2.374
  434   1HG   LYS  45          2HG       LYS  45   6.267 -11.306   0.090
  435   2HG   LYS  45          3HG       LYS  45   7.418 -10.009   0.512
  436   1HD   LYS  45          2HD       LYS  45   8.366 -11.476   2.279
  437   2HD   LYS  45          3HD       LYS  45   7.204 -12.746   1.842
  438   1HE   LYS  45          2HE       LYS  45   8.189 -12.797  -0.482
  439   2HE   LYS  45          3HE       LYS  45   9.355 -11.559   0.013
  440   1HZ   LYS  45          2HZ       LYS  45  10.035 -13.213   1.769
  441   2HZ   LYS  45          3HZ       LYS  45   9.183 -14.344   0.926
  442   3HZ   LYS  45          1HZ       LYS  45  10.452 -13.574   0.222
  443    QB   LYS  45           QB       LYS  45   5.925 -10.602   2.590
  444    QG   LYS  45           QG       LYS  45   6.843 -10.657   0.301
  445    QD   LYS  45           QD       LYS  45   7.785 -12.111   2.060
  446    QE   LYS  45           QE       LYS  45   8.772 -12.178  -0.234
  447    QZ   LYS  45           QZ       LYS  45   9.890 -13.710   0.972
  448    H    VAL  46           HN       VAL  46   5.590  -9.260  -0.734
  449    HA   VAL  46           HA       VAL  46   2.841  -9.868  -1.784
  450    HB   VAL  46           HB       VAL  46   3.345  -8.477  -3.688
  451   1HG1  VAL  46          1HG1      VAL  46   2.421  -7.365  -1.689
  452   2HG1  VAL  46          2HG1      VAL  46   4.049  -7.020  -1.107
  453   3HG1  VAL  46          3HG1      VAL  46   3.481  -6.282  -2.616
  454   1HG2  VAL  46          3HG2      VAL  46   5.813  -8.919  -3.846
  455   2HG2  VAL  46          1HG2      VAL  46   5.389  -7.221  -3.941
  456   3HG2  VAL  46          2HG2      VAL  46   6.063  -7.875  -2.431
  457    QG1  VAL  46           QG1      VAL  46   3.317  -6.889  -1.804
  458    QG2  VAL  46           QG2      VAL  46   5.755  -8.005  -3.406
  459    QQG  VAL  46           QQG      VAL  46   4.536  -7.447  -2.605
  460    H    LYS  47           HN       LYS  47   3.304 -10.425  -4.340
  461    HA   LYS  47           HA       LYS  47   4.797 -12.996  -4.278
  462   1HB   LYS  47          2HB       LYS  47   2.724 -12.021  -6.259
  463   2HB   LYS  47          3HB       LYS  47   3.335 -13.658  -6.100
  464   1HG   LYS  47          2HG       LYS  47   2.361 -13.833  -3.828
  465   2HG   LYS  47          3HG       LYS  47   1.604 -12.237  -4.044
  466   1HD   LYS  47          2HD       LYS  47   0.494 -13.072  -6.126
  467   2HD   LYS  47          3HD       LYS  47   1.120 -14.690  -5.811
  468   1HE   LYS  47          2HE       LYS  47  -0.809 -13.091  -4.038
  469   2HE   LYS  47          3HE       LYS  47  -1.239 -14.429  -5.109
  470   1HZ   LYS  47          1HZ       LYS  47   0.169 -15.864  -3.752
  471   2HZ   LYS  47          2HZ       LYS  47   0.468 -14.617  -2.715
  472   3HZ   LYS  47          3HZ       LYS  47  -1.058 -15.196  -2.890
  473    QB   LYS  47           QB       LYS  47   3.029 -12.839  -6.180
  474    QG   LYS  47           QG       LYS  47   1.982 -13.035  -3.936
  475    QD   LYS  47           QD       LYS  47   0.807 -13.881  -5.968
  476    QE   LYS  47           QE       LYS  47  -1.024 -13.760  -4.574
  477    QZ   LYS  47           QZ       LYS  47  -0.140 -15.226  -3.119
  478    HA   PRO  48           HA       PRO  48   7.751 -11.104  -6.857
  479   1HB   PRO  48          2HB       PRO  48   8.744 -13.055  -8.480
  480   2HB   PRO  48          3HB       PRO  48   8.857 -13.144  -6.698
  481   1HG   PRO  48          2HG       PRO  48   6.792 -14.441  -8.485
  482   2HG   PRO  48          3HG       PRO  48   7.749 -15.217  -7.187
  483   1HD   PRO  48          2HD       PRO  48   5.208 -14.297  -6.853
  484   2HD   PRO  48          3HD       PRO  48   6.364 -14.221  -5.500
  485    QB   PRO  48           QB       PRO  48   8.800 -13.100  -7.589
  486    QG   PRO  48           QG       PRO  48   7.271 -14.829  -7.836
  487    QD   PRO  48           QD       PRO  48   5.786 -14.259  -6.176
  488    H    GLY  49           HN       GLY  49   8.505 -10.629  -9.163
  489   1HA   GLY  49          1HA       GLY  49   8.104  -9.701 -11.189
  490   2HA   GLY  49          2HA       GLY  49   6.821 -10.898 -11.398
  491    QA   GLY  49           QA       GLY  49   7.463 -10.300 -11.294
  492    H    VAL  50           HN       VAL  50   6.732  -8.654  -8.687
  493    HA   VAL  50           HA       VAL  50   4.936  -6.735 -10.016
  494    HB   VAL  50           HB       VAL  50   4.285  -8.364  -7.495
  495   1HG1  VAL  50          3HG1      VAL  50   3.015  -5.859  -8.646
  496   2HG1  VAL  50          1HG1      VAL  50   2.154  -6.950  -7.542
  497   3HG1  VAL  50          2HG1      VAL  50   3.633  -6.136  -7.008
  498   1HG2  VAL  50          2HG2      VAL  50   2.838  -8.130 -10.172
  499   2HG2  VAL  50          3HG2      VAL  50   3.664  -9.568  -9.537
  500   3HG2  VAL  50          1HG2      VAL  50   2.216  -8.967  -8.735
  501    QG1  VAL  50           QG1      VAL  50   2.934  -6.315  -7.732
  502    QG2  VAL  50           QG2      VAL  50   2.906  -8.888  -9.481
  503    QQG  VAL  50           QQG      VAL  50   2.920  -7.602  -8.607
  504    H    GLY  51           HN       GLY  51   5.392  -4.603  -9.173
  505   1HA   GLY  51          1HA       GLY  51   7.711  -4.446  -7.528
  506   2HA   GLY  51          2HA       GLY  51   6.853  -3.058  -8.149
  507    QA   GLY  51           QA       GLY  51   7.282  -3.752  -7.839
  508    H    ILE  52           HN       ILE  52   7.703  -3.092  -5.645
  509    HA   ILE  52           HA       ILE  52   5.240  -2.853  -4.113
  510    HB   ILE  52           HB       ILE  52   5.806  -5.127  -3.711
  511   1HG1  ILE  52          2HG1      ILE  52   4.925  -3.602  -1.804
  512   2HG1  ILE  52          3HG1      ILE  52   5.384  -5.270  -1.526
  513   1HG2  ILE  52          1HG2      ILE  52   8.195  -5.185  -4.119
  514   2HG2  ILE  52          2HG2      ILE  52   8.510  -4.230  -2.654
  515   3HG2  ILE  52          3HG2      ILE  52   7.837  -5.870  -2.530
  516   1HD1  ILE  52          2HD1      ILE  52   7.239  -2.990  -0.804
  517   2HD1  ILE  52          3HD1      ILE  52   6.086  -3.782   0.279
  518   3HD1  ILE  52          1HD1      ILE  52   7.411  -4.713  -0.429
  519    QG1  ILE  52           QG1      ILE  52   5.154  -4.436  -1.665
  520    QG2  ILE  52           QG2      ILE  52   8.181  -5.095  -3.101
  521    QD1  ILE  52           QD1      ILE  52   6.912  -3.829  -0.318
  522    H    HIS  53           HN       HIS  53   5.405  -1.390  -2.296
  523    HA   HIS  53           HA       HIS  53   8.028  -0.752  -1.292
  524   1HB   HIS  53          2HB       HIS  53   6.581   1.160  -3.027
  525   2HB   HIS  53          3HB       HIS  53   6.735   1.755  -1.391
  526    HD1  HIS  53           HD1      HIS  53   9.292  -0.280  -3.482
  527    HD2  HIS  53           HD2      HIS  53   8.861   3.353  -1.377
  528    HE1  HIS  53           HE1      HIS  53  11.609   0.858  -3.498
  529    HE2  HIS  53           HE2      HIS  53  11.325   3.070  -2.217
  530    QB   HIS  53           QB       HIS  53   6.658   1.458  -2.209
  531    H    CYS  54           HN       CYS  54   7.814   0.270   0.853
  532    HA   CYS  54           HA       CYS  54   5.115   0.340   1.984
  533   1HB   CYS  54          2HB       CYS  54   7.530  -0.955   3.303
  534   2HB   CYS  54          3HB       CYS  54   6.061  -0.462   4.144
  535    QB   CYS  54           QB       CYS  54   6.795  -0.708   3.724
  536    H    CYS  55           HN       CYS  55   4.979   1.949   3.694
  537    HA   CYS  55           HA       CYS  55   7.257   3.680   4.208
  538   1HB   CYS  55          2HB       CYS  55   6.142   5.657   3.158
  539   2HB   CYS  55          3HB       CYS  55   6.799   4.487   2.026
  540    QB   CYS  55           QB       CYS  55   6.471   5.072   2.592
  541    H    GLN  56           HN       GLN  56   6.622   5.525   5.489
  542    HA   GLN  56           HA       GLN  56   4.549   4.672   7.474
  543   1HB   GLN  56          2HB       GLN  56   6.178   5.225   9.218
  544   2HB   GLN  56          3HB       GLN  56   6.688   3.907   8.165
  545   1HG   GLN  56          2HG       GLN  56   8.221   5.389   6.947
  546   2HG   GLN  56          3HG       GLN  56   7.689   6.782   7.895
  547   1HE2  GLN  56          2HE2      GLN  56   9.831   6.028  10.608
  548   2HE2  GLN  56          1HE2      GLN  56   8.625   7.122   9.951
  549    QB   GLN  56           QB       GLN  56   6.433   4.566   8.691
  550    QG   GLN  56           QG       GLN  56   7.955   6.086   7.421
  551    QE2  GLN  56           QE2      GLN  56   9.228   6.575  10.279
  552    H    SER  57           HN       SER  57   3.666   6.583   5.746
  553    HA   SER  57           HA       SER  57   3.141   8.707   7.688
  554   1HB   SER  57          2HB       SER  57   3.472  10.379   5.590
  555   2HB   SER  57          3HB       SER  57   4.732  10.055   6.790
  556    HG   SER  57           HG       SER  57   5.673   8.595   5.416
  557    QB   SER  57           QB       SER  57   4.102  10.217   6.190
  558    H    ASP  58           HN       ASP  58   1.147   9.803   7.326
  559    HA   ASP  58           HA       ASP  58  -0.841   8.171   6.472
  560   1HB   ASP  58          2HB       ASP  58  -0.865  11.116   6.945
  561   2HB   ASP  58          3HB       ASP  58  -2.314  10.199   6.495
  562    QB   ASP  58           QB       ASP  58  -1.589  10.657   6.720
  563    H    LYS  59           HN       LYS  59  -1.788   7.647   4.594
  564    HA   LYS  59           HA       LYS  59  -2.109   7.376   2.348
  565   1HB   LYS  59          2HB       LYS  59  -2.070  10.415   2.514
  566   2HB   LYS  59          3HB       LYS  59  -2.217   9.614   0.996
  567   1HG   LYS  59          2HG       LYS  59  -4.408   9.972   1.503
  568   2HG   LYS  59          3HG       LYS  59  -4.159   8.277   1.873
  569   1HD   LYS  59          2HD       LYS  59  -5.530   9.367   3.571
  570   2HD   LYS  59          3HD       LYS  59  -4.024   8.754   4.258
  571   1HE   LYS  59          2HE       LYS  59  -4.695  11.002   5.141
  572   2HE   LYS  59          3HE       LYS  59  -3.090  10.994   4.411
  573   1HZ   LYS  59          3HZ       LYS  59  -5.548  11.952   3.090
  574   2HZ   LYS  59          1HZ       LYS  59  -4.358  12.893   3.731
  575   3HZ   LYS  59          2HZ       LYS  59  -4.032  11.941   2.429
  576    QB   LYS  59           QB       LYS  59  -2.143  10.015   1.755
  577    QG   LYS  59           QG       LYS  59  -4.283   9.125   1.688
  578    QD   LYS  59           QD       LYS  59  -4.777   9.061   3.915
  579    QE   LYS  59           QE       LYS  59  -3.893  10.998   4.776
  580    QZ   LYS  59           QZ       LYS  59  -4.646  12.262   3.083
  581    H    CYS  60           HN       CYS  60   0.901   7.648   3.367
  582    HA   CYS  60           HA       CYS  60   2.364   8.736   1.280
  583   1HB   CYS  60          2HB       CYS  60   4.250   7.474   2.093
  584   2HB   CYS  60          3HB       CYS  60   3.275   8.055   3.430
  585    QB   CYS  60           QB       CYS  60   3.762   7.764   2.762
  586    H    ASN  61           HN       ASN  61   0.749   5.591   1.243
  587    HA   ASN  61           HA       ASN  61   2.498   4.392  -0.670
  588   1HB   ASN  61          2HB       ASN  61   0.918   2.554  -0.675
  589   2HB   ASN  61          3HB       ASN  61   1.352   3.062   0.936
  590   1HD2  ASN  61          2HD2      ASN  61  -2.342   2.308   0.758
  591   2HD2  ASN  61          1HD2      ASN  61  -0.825   1.447   0.513
  592    QB   ASN  61           QB       ASN  61   1.135   2.808   0.131
  593    QD2  ASN  61           QD2      ASN  61  -1.583   1.877   0.635
  594    OH   TYR  62           OH       TYR  62  -1.837  11.757  -7.475
  595    H    TYR  62           HN       TYR  62   1.046   6.936  -1.704
  596    HA   TYR  62           HA       TYR  62  -0.400   5.788  -3.974
  597   1HB   TYR  62          2HB       TYR  62  -1.553   7.529  -3.332
  598   2HB   TYR  62          3HB       TYR  62  -0.216   8.393  -2.654
  599    HD1  TYR  62           HD1      TYR  62  -0.585   7.564  -6.393
  600    HD2  TYR  62           HD2      TYR  62  -0.723  10.535  -3.253
  601    HE1  TYR  62           HE1      TYR  62  -1.220   9.227  -8.020
  602    HE2  TYR  62           HE2      TYR  62  -1.467  12.198  -4.916
  603    HH   TYR  62           HH       TYR  62  -1.830  11.443  -8.382
  604    QB   TYR  62           QB       TYR  62  -0.885   7.961  -2.993
  605    QR   TYR  62           QR       TYR  62  -0.999   9.881  -5.646
   
  Start of MODEL          11
 Raw file had 605 H/Q atoms
  Start of MODEL   11
    1    NH1  ARG   1           NH2      ARG   1   1.113   7.624  12.130
    2    NH2  ARG   1           NH1      ARG   1   2.923   6.466  11.288
    3    H    ARG   1           HN       ARG   1  -3.663   4.657  12.897
    4    HA   ARG   1           HA       ARG   1  -3.157   6.520  11.331
    5   1HB   ARG   1          2HB       ARG   1  -1.672   4.474  11.564
    6   2HB   ARG   1          3HB       ARG   1  -2.636   3.709  10.290
    7   1HG   ARG   1          2HG       ARG   1  -0.546   4.389   9.397
    8   2HG   ARG   1          3HG       ARG   1  -1.802   5.319   8.639
    9   1HD   ARG   1          2HD       ARG   1  -0.613   7.123   9.127
   10   2HD   ARG   1          3HD       ARG   1  -1.063   6.962  10.818
   11    HE   ARG   1           HE       ARG   1   1.333   5.598   9.625
   12   1HH1  ARG   1          2HH2      ARG   1   0.166   7.946  12.033
   13   2HH1  ARG   1          1HH2      ARG   1   1.677   7.996  12.880
   14   1HH2  ARG   1          2HH1      ARG   1   3.353   6.007  10.480
   15   2HH2  ARG   1          1HH1      ARG   1   3.536   6.797  12.016
   16    QB   ARG   1           QB       ARG   1  -2.154   4.091  10.927
   17    QG   ARG   1           QG       ARG   1  -1.174   4.854   9.018
   18    QD   ARG   1           QD       ARG   1  -0.838   7.042   9.973
   19    QH1  ARG   1           QH2      ARG   1   0.921   7.971  12.456
   20    QH2  ARG   1           QH1      ARG   1   3.445   6.402  11.248
   21    H    ILE   2           HN       ILE   2  -3.161   6.958   8.793
   22    HA   ILE   2           HA       ILE   2  -5.690   5.986   7.570
   23    HB   ILE   2           HB       ILE   2  -4.520   8.750   7.193
   24   1HG1  ILE   2          2HG1      ILE   2  -5.298   8.608   9.534
   25   2HG1  ILE   2          3HG1      ILE   2  -6.242   9.716   8.553
   26   1HG2  ILE   2          1HG2      ILE   2  -7.209   7.514   6.432
   27   2HG2  ILE   2          2HG2      ILE   2  -6.752   9.210   6.187
   28   3HG2  ILE   2          3HG2      ILE   2  -5.895   7.921   5.325
   29   1HD1  ILE   2          1HD1      ILE   2  -7.163   6.877   9.148
   30   2HD1  ILE   2          2HD1      ILE   2  -7.584   8.286  10.129
   31   3HD1  ILE   2          3HD1      ILE   2  -8.115   8.200   8.444
   32    QG1  ILE   2           QG1      ILE   2  -5.770   9.162   9.043
   33    QG2  ILE   2           QG2      ILE   2  -6.619   8.215   5.981
   34    QD1  ILE   2           QD1      ILE   2  -7.621   7.787   9.241
   35    H    CYS   3           HN       CYS   3  -5.441   5.213   5.505
   36    HA   CYS   3           HA       CYS   3  -2.841   5.593   4.100
   37   1HB   CYS   3          2HB       CYS   3  -4.193   2.930   4.728
   38   2HB   CYS   3          3HB       CYS   3  -2.893   3.150   3.557
   39    QB   CYS   3           QB       CYS   3  -3.543   3.040   4.142
   40    OH   TYR   4           OH       TYR   4  -3.516  11.323  -0.952
   41    H    TYR   4           HN       TYR   4  -3.018   5.173   1.813
   42    HA   TYR   4           HA       TYR   4  -5.664   5.691   0.653
   43   1HB   TYR   4          2HB       TYR   4  -2.909   5.234  -0.515
   44   2HB   TYR   4          3HB       TYR   4  -4.352   5.354  -1.482
   45    HD1  TYR   4           HD1      TYR   4  -5.858   7.446  -1.201
   46    HD2  TYR   4           HD2      TYR   4  -1.703   7.242  -0.061
   47    HE1  TYR   4           HE1      TYR   4  -5.693   9.915  -1.347
   48    HE2  TYR   4           HE2      TYR   4  -1.503   9.680  -0.452
   49    HH   TYR   4           HH       TYR   4  -2.640  11.661  -0.746
   50    QB   TYR   4           QB       TYR   4  -3.631   5.294  -0.999
   51    QR   TYR   4           QR       TYR   4  -3.689   8.571  -0.765
   52    H    ASN   5           HN       ASN   5  -6.798   4.194  -0.685
   53    HA   ASN   5           HA       ASN   5  -5.811   1.395  -0.785
   54   1HB   ASN   5          2HB       ASN   5  -7.673   0.390   0.183
   55   2HB   ASN   5          3HB       ASN   5  -7.093   1.591   1.329
   56   1HD2  ASN   5          2HD2      ASN   5 -10.062   3.713   0.736
   57   2HD2  ASN   5          1HD2      ASN   5  -8.316   3.926   0.793
   58    QB   ASN   5           QB       ASN   5  -7.383   0.991   0.756
   59    QD2  ASN   5           QD2      ASN   5  -9.189   3.820   0.765
   60    H    HIS   6           HN       HIS   6  -6.255   3.555  -2.765
   61    HA   HIS   6           HA       HIS   6  -8.539   2.646  -4.360
   62   1HB   HIS   6          2HB       HIS   6  -7.636   4.167  -6.125
   63   2HB   HIS   6          3HB       HIS   6  -8.186   4.884  -4.629
   64    HD1  HIS   6           HD1      HIS   6  -5.566   5.508  -6.992
   65    HD2  HIS   6           HD2      HIS   6  -6.081   5.560  -2.829
   66    HE1  HIS   6           HE1      HIS   6  -3.696   7.064  -5.999
   67    HE2  HIS   6           HE2      HIS   6  -4.072   7.056  -3.487
   68    QB   HIS   6           QB       HIS   6  -7.911   4.526  -5.377
   69    H    GLN   7           HN       GLN   7  -8.431   1.568  -6.378
   70    HA   GLN   7           HA       GLN   7  -5.972  -0.019  -6.929
   71   1HB   GLN   7          2HB       GLN   7  -7.978  -1.343  -6.420
   72   2HB   GLN   7          3HB       GLN   7  -8.875  -0.512  -7.700
   73   1HG   GLN   7          2HG       GLN   7  -7.366  -1.543  -9.390
   74   2HG   GLN   7          3HG       GLN   7  -6.461  -2.360  -8.103
   75   1HE2  GLN   7          2HE2      GLN   7  -8.988  -4.877  -7.683
   76   2HE2  GLN   7          1HE2      GLN   7  -7.505  -4.257  -7.005
   77    QB   GLN   7           QB       GLN   7  -8.427  -0.928  -7.060
   78    QG   GLN   7           QG       GLN   7  -6.913  -1.951  -8.747
   79    QE2  GLN   7           QE2      GLN   7  -8.246  -4.567  -7.344
   80    H    SER   8           HN       SER   8  -5.590  -0.264  -9.334
   81    HA   SER   8           HA       SER   8  -5.538   2.223 -10.696
   82   1HB   SER   8          2HB       SER   8  -5.058   0.660 -12.733
   83   2HB   SER   8          3HB       SER   8  -3.903   0.822 -11.428
   84    HG   SER   8           HG       SER   8  -5.955  -1.149 -11.675
   85    QB   SER   8           QB       SER   8  -4.481   0.741 -12.081
   86    H    THR   9           HN       THR   9  -7.892   2.774 -10.527
   87    HA   THR   9           HA       THR   9  -9.376   1.849 -12.931
   88    HB   THR   9           HB       THR   9 -10.656   1.787 -10.157
   89    HG1  THR   9          1HG       THR   9  -9.256  -0.156 -11.599
   90   1HG2  THR   9          1HG2      THR   9 -11.546   0.636 -12.843
   91   2HG2  THR   9          2HG2      THR   9 -12.394   0.471 -11.290
   92   3HG2  THR   9          3HG2      THR   9 -12.244   2.065 -12.046
   93    QG2  THR   9           QG2      THR   9 -12.061   1.057 -12.059
   94    H    THR  10           HN       THR  10  -9.220   4.030 -10.108
   95    HA   THR  10           HA       THR  10 -10.516   6.235 -11.524
   96    HB   THR  10           HB       THR  10 -12.434   6.012  -9.613
   97    HG1  THR  10          1HG       THR  10 -11.706   4.089  -8.735
   98   1HG2  THR  10          2HG2      THR  10 -12.780   6.140 -12.086
   99   2HG2  THR  10          3HG2      THR  10 -12.653   4.368 -12.142
  100   3HG2  THR  10          1HG2      THR  10 -13.933   5.126 -11.193
  101    QG2  THR  10           QG2      THR  10 -13.122   5.211 -11.807
  102    NH1  ARG  11           NH2      ARG  11 -13.664  13.806  -5.819
  103    NH2  ARG  11           NH1      ARG  11 -11.796  15.132  -5.459
  104    H    ARG  11           HN       ARG  11 -11.336   7.818  -9.730
  105    HA   ARG  11           HA       ARG  11  -9.262   9.112  -8.607
  106   1HB   ARG  11          2HB       ARG  11 -11.645   9.876  -8.940
  107   2HB   ARG  11          3HB       ARG  11 -12.078   9.037  -7.439
  108   1HG   ARG  11          2HG       ARG  11 -10.495  10.514  -6.189
  109   2HG   ARG  11          3HG       ARG  11 -10.040  11.292  -7.726
  110   1HD   ARG  11          2HD       ARG  11 -12.481  11.957  -7.981
  111   2HD   ARG  11          3HD       ARG  11 -12.751  11.288  -6.351
  112    HE   ARG  11           HE       ARG  11 -10.564  13.212  -6.494
  113   1HH1  ARG  11          2HH2      ARG  11 -14.068  12.952  -6.172
  114   2HH1  ARG  11          1HH2      ARG  11 -14.276  14.498  -5.410
  115   1HH2  ARG  11          2HH1      ARG  11 -10.801  15.290  -5.535
  116   2HH2  ARG  11          1HH1      ARG  11 -12.363  15.864  -5.055
  117    QB   ARG  11           QB       ARG  11 -11.862   9.457  -8.189
  118    QG   ARG  11           QG       ARG  11 -10.268  10.903  -6.957
  119    QD   ARG  11           QD       ARG  11 -12.616  11.622  -7.166
  120    QH1  ARG  11           QH2      ARG  11 -14.172  13.725  -5.791
  121    QH2  ARG  11           QH1      ARG  11 -11.582  15.577  -5.295
  122    H    ALA  12           HN       ALA  12  -8.385   9.428  -6.554
  123    HA   ALA  12           HA       ALA  12  -7.785   7.093  -5.121
  124   1HB   ALA  12          3HB       ALA  12  -6.279   9.021  -5.273
  125   2HB   ALA  12          1HB       ALA  12  -7.416  10.004  -4.318
  126   3HB   ALA  12          2HB       ALA  12  -6.604   8.615  -3.569
  127    QB   ALA  12           QB       ALA  12  -6.766   9.213  -4.387
  128    H    THR  13           HN       THR  13  -8.255   6.374  -3.044
  129    HA   THR  13           HA       THR  13 -10.413   7.607  -1.471
  130    HB   THR  13           HB       THR  13 -11.278   5.235  -1.175
  131    HG1  THR  13          1HG       THR  13 -10.740   3.792  -2.885
  132   1HG2  THR  13          2HG2      THR  13 -12.402   6.950  -2.676
  133   2HG2  THR  13          3HG2      THR  13 -11.504   6.272  -4.045
  134   3HG2  THR  13          1HG2      THR  13 -12.673   5.272  -3.173
  135    QG2  THR  13           QG2      THR  13 -12.193   6.165  -3.298
  136    H    THR  14           HN       THR  14 -10.124   7.197   0.753
  137    HA   THR  14           HA       THR  14  -7.594   5.861   1.580
  138    HB   THR  14           HB       THR  14  -7.495   7.615   3.366
  139    HG1  THR  14          1HG       THR  14  -9.762   8.262   3.017
  140   1HG2  THR  14          3HG2      THR  14  -7.335   8.556   0.468
  141   2HG2  THR  14          1HG2      THR  14  -6.717   9.483   1.835
  142   3HG2  THR  14          2HG2      THR  14  -6.017   7.892   1.481
  143    QG2  THR  14           QG2      THR  14  -6.690   8.644   1.261
  144    H    LYS  15           HN       LYS  15  -7.640   4.827   3.603
  145    HA   LYS  15           HA       LYS  15 -10.236   4.671   5.005
  146   1HB   LYS  15          2HB       LYS  15  -9.935   2.302   5.340
  147   2HB   LYS  15          3HB       LYS  15 -10.121   2.644   3.620
  148   1HG   LYS  15          2HG       LYS  15  -7.626   2.481   3.376
  149   2HG   LYS  15          3HG       LYS  15  -7.477   2.042   5.071
  150   1HD   LYS  15          2HD       LYS  15  -9.005   0.494   2.926
  151   2HD   LYS  15          3HD       LYS  15  -7.408   0.072   3.538
  152   1HE   LYS  15          2HE       LYS  15 -10.053   0.007   5.073
  153   2HE   LYS  15          3HE       LYS  15  -9.126  -1.374   4.493
  154   1HZ   LYS  15          2HZ       LYS  15  -7.344  -0.728   6.064
  155   2HZ   LYS  15          3HZ       LYS  15  -8.275   0.499   6.613
  156   3HZ   LYS  15          1HZ       LYS  15  -8.766  -1.041   6.810
  157    QB   LYS  15           QB       LYS  15 -10.028   2.473   4.480
  158    QG   LYS  15           QG       LYS  15  -7.552   2.261   4.223
  159    QD   LYS  15           QD       LYS  15  -8.207   0.283   3.232
  160    QE   LYS  15           QE       LYS  15  -9.589  -0.683   4.783
  161    QZ   LYS  15           QZ       LYS  15  -8.128  -0.423   6.496
  162    H    SER  16           HN       SER  16  -9.864   3.853   7.218
  163    HA   SER  16           HA       SER  16  -7.270   4.736   8.278
  164   1HB   SER  16          2HB       SER  16  -9.388   5.312   9.495
  165   2HB   SER  16          3HB       SER  16  -9.578   3.586   9.871
  166    HG   SER  16           HG       SER  16  -7.188   5.016  10.429
  167    QB   SER  16           QB       SER  16  -9.483   4.449   9.683
  168    H    CYS  17           HN       CYS  17  -6.064   3.245   9.715
  169    HA   CYS  17           HA       CYS  17  -6.705   0.441   9.703
  170   1HB   CYS  17          2HB       CYS  17  -4.948   1.220   7.675
  171   2HB   CYS  17          3HB       CYS  17  -4.019   0.358   8.916
  172    QB   CYS  17           QB       CYS  17  -4.484   0.789   8.295
  173    H    GLU  20           HN       GLU  20  -5.370  -0.709  11.173
  174    HA   GLU  20           HA       GLU  20  -4.592   0.719  13.533
  175   1HB   GLU  20          2HB       GLU  20  -3.869  -1.625  14.224
  176   2HB   GLU  20          3HB       GLU  20  -5.575  -1.354  13.872
  177   1HG   GLU  20          2HG       GLU  20  -3.881  -2.465  11.625
  178   2HG   GLU  20          3HG       GLU  20  -4.311  -3.498  12.979
  179    QB   GLU  20           QB       GLU  20  -4.722  -1.490  14.048
  180    QG   GLU  20           QG       GLU  20  -4.096  -2.981  12.302
  181    H    GLU  21           HN       GLU  21  -2.709  -0.906  10.942
  182    HA   GLU  21           HA       GLU  21  -0.187  -0.785  12.169
  183   1HB   GLU  21          2HB       GLU  21  -0.923  -0.527   9.230
  184   2HB   GLU  21          3HB       GLU  21   0.714  -0.724   9.827
  185   1HG   GLU  21          2HG       GLU  21  -1.121  -2.797  10.888
  186   2HG   GLU  21          3HG       GLU  21  -0.879  -2.849   9.141
  187    QB   GLU  21           QB       GLU  21  -0.105  -0.625   9.529
  188    QG   GLU  21           QG       GLU  21  -1.000  -2.823  10.014
  189    H    ASN  22           HN       ASN  22   1.613   0.578  11.713
  190    HA   ASN  22           HA       ASN  22   0.983   3.461  11.641
  191   1HB   ASN  22          2HB       ASN  22   3.241   3.875  12.130
  192   2HB   ASN  22          3HB       ASN  22   2.787   2.501  13.142
  193   1HD2  ASN  22          2HD2      ASN  22   5.059   0.270  11.480
  194   2HD2  ASN  22          1HD2      ASN  22   3.782   0.413  12.669
  195    QB   ASN  22           QB       ASN  22   3.014   3.188  12.636
  196    QD2  ASN  22           QD2      ASN  22   4.421   0.341  12.074
  197    H    SER  23           HN       SER  23   2.142   0.911   9.472
  198    HA   SER  23           HA       SER  23   3.131   2.855   7.530
  199   1HB   SER  23          2HB       SER  23   3.259  -0.143   7.220
  200   2HB   SER  23          3HB       SER  23   4.391   1.090   6.665
  201    HG   SER  23           HG       SER  23   4.691   1.459   9.070
  202    QB   SER  23           QB       SER  23   3.825   0.473   6.943
  203    H    CYS  24           HN       CYS  24   2.777   2.388   5.203
  204    HA   CYS  24           HA       CYS  24   0.151   1.206   4.515
  205   1HB   CYS  24          2HB       CYS  24   1.121   3.858   3.400
  206   2HB   CYS  24          3HB       CYS  24  -0.427   3.051   3.142
  207    QB   CYS  24           QB       CYS  24   0.347   3.454   3.271
  208    OH   TYR  25           OH       TYR  25  -1.685  -5.200   0.506
  209    H    TYR  25           HN       TYR  25   0.160   0.536   2.193
  210    HA   TYR  25           HA       TYR  25   2.762   0.750   0.852
  211   1HB   TYR  25          2HB       TYR  25   3.212  -1.534   0.732
  212   2HB   TYR  25          3HB       TYR  25   2.699  -1.327   2.398
  213    HD1  TYR  25           HD2      TYR  25   0.247  -1.916   2.996
  214    HD2  TYR  25           HD1      TYR  25   2.117  -3.041  -0.713
  215    HE1  TYR  25           HE2      TYR  25  -1.480  -3.650   2.646
  216    HE2  TYR  25           HE1      TYR  25   0.535  -4.895  -0.946
  217    HH   TYR  25           HH       TYR  25  -2.276  -5.292   1.258
  218    QB   TYR  25           QB       TYR  25   2.955  -1.430   1.565
  219    QR   TYR  25           QR       TYR  25   0.355  -3.375   0.996
  220    H    LYS  26           HN       LYS  26   2.892  -0.080  -1.260
  221    HA   LYS  26           HA       LYS  26   0.399   0.163  -2.840
  222   1HB   LYS  26          2HB       LYS  26   2.253   2.162  -2.401
  223   2HB   LYS  26          3HB       LYS  26   2.955   1.429  -3.825
  224   1HG   LYS  26          2HG       LYS  26   0.010   2.128  -3.754
  225   2HG   LYS  26          3HG       LYS  26   1.150   3.424  -3.836
  226   1HD   LYS  26          2HD       LYS  26   1.043   1.098  -5.809
  227   2HD   LYS  26          3HD       LYS  26   0.165   2.615  -6.007
  228   1HE   LYS  26          2HE       LYS  26   3.197   2.293  -5.989
  229   2HE   LYS  26          3HE       LYS  26   2.171   2.676  -7.368
  230   1HZ   LYS  26          2HZ       LYS  26   1.529   4.753  -6.145
  231   2HZ   LYS  26          3HZ       LYS  26   2.592   4.486  -5.042
  232   3HZ   LYS  26          1HZ       LYS  26   3.116   4.700  -6.593
  233    QB   LYS  26           QB       LYS  26   2.604   1.796  -3.113
  234    QG   LYS  26           QG       LYS  26   0.580   2.776  -3.795
  235    QD   LYS  26           QD       LYS  26   0.604   1.857  -5.908
  236    QE   LYS  26           QE       LYS  26   2.684   2.484  -6.679
  237    QZ   LYS  26           QZ       LYS  26   2.412   4.646  -5.927
  238    H    LYS  27           HN       LYS  27   0.266  -1.561  -4.249
  239    HA   LYS  27           HA       LYS  27   2.720  -3.112  -4.914
  240   1HB   LYS  27          2HB       LYS  27   1.588  -5.103  -4.677
  241   2HB   LYS  27          3HB       LYS  27   0.975  -4.178  -3.306
  242   1HG   LYS  27          2HG       LYS  27  -0.955  -3.556  -5.030
  243   2HG   LYS  27          3HG       LYS  27  -0.352  -4.962  -5.902
  244   1HD   LYS  27          2HD       LYS  27  -2.158  -5.782  -4.646
  245   2HD   LYS  27          3HD       LYS  27  -0.723  -6.334  -3.792
  246   1HE   LYS  27          2HE       LYS  27  -1.315  -5.240  -1.924
  247   2HE   LYS  27          3HE       LYS  27  -1.535  -3.699  -2.769
  248   1HZ   LYS  27          1HZ       LYS  27  -3.801  -4.786  -3.377
  249   2HZ   LYS  27          2HZ       LYS  27  -3.512  -5.775  -2.142
  250   3HZ   LYS  27          3HZ       LYS  27  -3.566  -4.140  -1.883
  251    QB   LYS  27           QB       LYS  27   1.282  -4.641  -3.991
  252    QG   LYS  27           QG       LYS  27  -0.653  -4.259  -5.466
  253    QD   LYS  27           QD       LYS  27  -1.441  -6.058  -4.219
  254    QE   LYS  27           QE       LYS  27  -1.425  -4.469  -2.347
  255    QZ   LYS  27           QZ       LYS  27  -3.626  -4.900  -2.467
  256    OH   TYR  28           OH       TYR  28   7.199   0.318  -6.511
  257    H    TYR  28           HN       TYR  28   3.014  -3.424  -7.234
  258    HA   TYR  28           HA       TYR  28   0.784  -2.729  -8.997
  259   1HB   TYR  28          2HB       TYR  28   2.387  -1.066 -10.065
  260   2HB   TYR  28          3HB       TYR  28   1.521  -0.565  -8.624
  261    HD1  TYR  28           HD1      TYR  28   2.735  -0.437  -6.405
  262    HD2  TYR  28           HD2      TYR  28   4.813  -1.135 -10.115
  263    HE1  TYR  28           HE1      TYR  28   4.874   0.149  -5.314
  264    HE2  TYR  28           HE2      TYR  28   6.932  -0.422  -9.053
  265    HH   TYR  28           HH       TYR  28   7.957   0.312  -7.100
  266    QB   TYR  28           QB       TYR  28   1.954  -0.816  -9.345
  267    QR   TYR  28           QR       TYR  28   4.839  -0.461  -7.722
  268    CH2  TRP  29           CH2      TRP  29  -2.862  -6.144  -8.963
  269    H    TRP  29           HN       TRP  29   0.965  -3.598 -11.053
  270    HA   TRP  29           HA       TRP  29   3.489  -4.815 -11.916
  271   1HB   TRP  29          2HB       TRP  29   2.590  -7.004 -12.116
  272   2HB   TRP  29          3HB       TRP  29   2.485  -6.508 -10.442
  273    HD1  TRP  29           HD1      TRP  29   0.549  -8.071 -13.113
  274    HE1  TRP  29           HE1      TRP  29  -1.882  -8.406 -12.479
  275    HE3  TRP  29           HE3      TRP  29   0.380  -5.102  -8.920
  276    HZ2  TRP  29           HZ2      TRP  29  -3.694  -7.538 -10.392
  277    HZ3  TRP  29           HZ3      TRP  29  -1.762  -4.759  -7.740
  278    HH2  TRP  29           HH2      TRP  29  -3.783  -6.032  -8.409
  279    QB   TRP  29           QB       TRP  29   2.538  -6.756 -11.279
  280    NH1  ARG  30           NH2      ARG  30   5.282  -1.075 -13.774
  281    NH2  ARG  30           NH1      ARG  30   5.023   0.702 -15.239
  282    H    ARG  30           HN       ARG  30   2.951  -5.994 -14.178
  283    HA   ARG  30           HA       ARG  30   0.987  -4.364 -15.688
  284   1HB   ARG  30          2HB       ARG  30   3.683  -5.527 -16.424
  285   2HB   ARG  30          3HB       ARG  30   2.442  -5.235 -17.595
  286   1HG   ARG  30          2HG       ARG  30   3.824  -3.341 -17.727
  287   2HG   ARG  30          3HG       ARG  30   2.327  -2.827 -16.943
  288   1HD   ARG  30          2HD       ARG  30   3.495  -2.957 -14.733
  289   2HD   ARG  30          3HD       ARG  30   4.993  -3.426 -15.575
  290    HE   ARG  30           HE       ARG  30   4.118  -1.065 -16.784
  291   1HH1  ARG  30          2HH2      ARG  30   5.172  -2.059 -13.581
  292   2HH1  ARG  30          1HH2      ARG  30   5.683  -0.480 -13.065
  293   1HH2  ARG  30          2HH1      ARG  30   4.723   1.071 -16.131
  294   2HH2  ARG  30          1HH1      ARG  30   5.412   1.345 -14.567
  295    QB   ARG  30           QB       ARG  30   3.062  -5.381 -17.009
  296    QG   ARG  30           QG       ARG  30   3.076  -3.084 -17.335
  297    QD   ARG  30           QD       ARG  30   4.244  -3.192 -15.154
  298    QH1  ARG  30           QH2      ARG  30   5.428  -1.269 -13.323
  299    QH2  ARG  30           QH1      ARG  30   5.068   1.208 -15.349
  300    H    ASP  31           HN       ASP  31  -0.178  -5.440 -17.170
  301    HA   ASP  31           HA       ASP  31  -0.097  -8.179 -17.762
  302   1HB   ASP  31          2HB       ASP  31  -0.979  -8.384 -15.389
  303   2HB   ASP  31          3HB       ASP  31  -2.395  -7.446 -15.879
  304    QB   ASP  31           QB       ASP  31  -1.687  -7.915 -15.634
  305    H    HIS  32           HN       HIS  32  -3.170  -8.056 -18.146
  306    HA   HIS  32           HA       HIS  32  -3.198  -6.527 -20.610
  307   1HB   HIS  32          2HB       HIS  32  -4.373  -8.658 -20.270
  308   2HB   HIS  32          3HB       HIS  32  -5.364  -7.929 -18.999
  309    HD1  HIS  32           HD1      HIS  32  -7.718  -7.462 -19.938
  310    HD2  HIS  32           HD2      HIS  32  -4.633  -7.208 -22.808
  311    HE1  HIS  32           HE1      HIS  32  -8.854  -6.963 -22.195
  312    HE2  HIS  32           HE2      HIS  32  -6.964  -6.803 -23.929
  313    QB   HIS  32           QB       HIS  32  -4.869  -8.293 -19.635
  314    NH1  ARG  33           NH2      ARG  33 -10.391  -1.306 -18.850
  315    NH2  ARG  33           NH1      ARG  33  -9.935  -0.542 -16.710
  316    H    ARG  33           HN       ARG  33  -4.851  -4.942 -20.960
  317    HA   ARG  33           HA       ARG  33  -5.932  -2.982 -20.698
  318   1HB   ARG  33          2HB       ARG  33  -6.381  -4.065 -17.925
  319   2HB   ARG  33          3HB       ARG  33  -6.624  -2.342 -18.208
  320   1HG   ARG  33          2HG       ARG  33  -8.205  -2.755 -19.987
  321   2HG   ARG  33          3HG       ARG  33  -7.882  -4.493 -19.945
  322   1HD   ARG  33          2HD       ARG  33 -10.005  -4.015 -18.776
  323   2HD   ARG  33          3HD       ARG  33  -8.799  -4.667 -17.680
  324    HE   ARG  33           HE       ARG  33  -8.786  -2.760 -16.457
  325   1HH1  ARG  33          2HH2      ARG  33 -10.300  -2.025 -19.551
  326   2HH1  ARG  33          1HH2      ARG  33 -10.886  -0.457 -19.087
  327   1HH2  ARG  33          2HH1      ARG  33  -9.523  -0.673 -15.797
  328   2HH2  ARG  33          1HH1      ARG  33 -10.415   0.327 -16.893
  329    QB   ARG  33           QB       ARG  33  -6.502  -3.204 -18.066
  330    QG   ARG  33           QG       ARG  33  -8.043  -3.624 -19.966
  331    QD   ARG  33           QD       ARG  33  -9.402  -4.341 -18.228
  332    QH1  ARG  33           QH2      ARG  33 -10.593  -1.241 -19.319
  333    QH2  ARG  33           QH1      ARG  33  -9.969  -0.173 -16.345
  334    H    GLY  34           HN       GLY  34  -3.137  -3.543 -18.607
  335   1HA   GLY  34          1HA       GLY  34  -1.497  -1.537 -19.429
  336   2HA   GLY  34          2HA       GLY  34  -2.611  -0.669 -18.360
  337    QA   GLY  34           QA       GLY  34  -2.054  -1.103 -18.895
  338    H    THR  35           HN       THR  35  -0.868  -0.263 -16.994
  339    HA   THR  35           HA       THR  35   0.150  -2.510 -15.396
  340    HB   THR  35           HB       THR  35   1.631  -0.615 -15.990
  341    HG1  THR  35          1HG       THR  35   1.412  -1.942 -13.719
  342   1HG2  THR  35          1HG2      THR  35  -0.006   1.254 -15.557
  343   2HG2  THR  35          2HG2      THR  35   0.169   0.908 -13.828
  344   3HG2  THR  35          3HG2      THR  35   1.572   1.442 -14.757
  345    QG2  THR  35           QG2      THR  35   0.578   1.201 -14.714
  346    H    ILE  36           HN       ILE  36  -0.778  -3.189 -13.547
  347    HA   ILE  36           HA       ILE  36  -3.303  -1.886 -12.718
  348    HB   ILE  36           HB       ILE  36  -2.143  -4.557 -11.883
  349   1HG1  ILE  36          2HG1      ILE  36  -2.517  -4.721 -14.263
  350   2HG1  ILE  36          3HG1      ILE  36  -3.739  -5.639 -13.396
  351   1HG2  ILE  36          3HG2      ILE  36  -4.956  -3.413 -11.596
  352   2HG2  ILE  36          1HG2      ILE  36  -4.469  -5.052 -11.167
  353   3HG2  ILE  36          2HG2      ILE  36  -3.786  -3.671 -10.293
  354   1HD1  ILE  36          2HD1      ILE  36  -4.174  -2.870 -14.616
  355   2HD1  ILE  36          3HD1      ILE  36  -4.693  -4.413 -15.302
  356   3HD1  ILE  36          1HD1      ILE  36  -5.406  -3.850 -13.785
  357    QG1  ILE  36           QG1      ILE  36  -3.128  -5.180 -13.830
  358    QG2  ILE  36           QG2      ILE  36  -4.403  -4.045 -11.019
  359    QD1  ILE  36           QD1      ILE  36  -4.758  -3.711 -14.568
  360    H    ILE  37           HN       ILE  37  -3.392  -0.851 -10.709
  361    HA   ILE  37           HA       ILE  37  -0.991  -0.974  -8.942
  362    HB   ILE  37           HB       ILE  37  -2.864   1.403  -9.519
  363   1HG1  ILE  37          2HG1      ILE  37  -0.469   2.495  -9.740
  364   2HG1  ILE  37          3HG1      ILE  37   0.119   0.852  -9.989
  365   1HG2  ILE  37          1HG2      ILE  37  -0.691   0.964  -7.425
  366   2HG2  ILE  37          2HG2      ILE  37  -1.457   2.532  -7.765
  367   3HG2  ILE  37          3HG2      ILE  37  -2.413   1.212  -7.097
  368   1HD1  ILE  37          3HD1      ILE  37  -2.018   2.260 -11.645
  369   2HD1  ILE  37          1HD1      ILE  37  -0.297   2.151 -12.047
  370   3HD1  ILE  37          2HD1      ILE  37  -1.281   0.672 -11.997
  371    QG1  ILE  37           QG1      ILE  37  -0.175   1.674  -9.865
  372    QG2  ILE  37           QG2      ILE  37  -1.520   1.569  -7.429
  373    QD1  ILE  37           QD1      ILE  37  -1.198   1.694 -11.896
  374    H    GLU  38           HN       GLU  38  -1.475  -1.438  -6.812
  375    HA   GLU  38           HA       GLU  38  -4.177  -0.985  -5.844
  376   1HB   GLU  38          2HB       GLU  38  -3.660  -3.576  -6.650
  377   2HB   GLU  38          3HB       GLU  38  -3.076  -3.619  -4.992
  378   1HG   GLU  38          2HG       GLU  38  -5.290  -2.861  -4.167
  379   2HG   GLU  38          3HG       GLU  38  -5.844  -2.696  -5.837
  380    QB   GLU  38           QB       GLU  38  -3.368  -3.598  -5.821
  381    QG   GLU  38           QG       GLU  38  -5.567  -2.779  -5.002
  382    NH1  ARG  39           NH2      ARG  39  -3.642   3.052  -5.788
  383    NH2  ARG  39           NH1      ARG  39  -2.008   4.627  -5.998
  384    H    ARG  39           HN       ARG  39  -4.050  -1.666  -3.362
  385    HA   ARG  39           HA       ARG  39  -1.527  -0.669  -2.168
  386   1HB   ARG  39          2HB       ARG  39  -4.260   0.663  -2.362
  387   2HB   ARG  39          3HB       ARG  39  -3.210   1.030  -0.980
  388   1HG   ARG  39          2HG       ARG  39  -1.519   1.884  -2.305
  389   2HG   ARG  39          3HG       ARG  39  -2.264   1.301  -3.821
  390   1HD   ARG  39          2HD       ARG  39  -4.292   2.765  -3.227
  391   2HD   ARG  39          3HD       ARG  39  -3.248   3.421  -1.944
  392    HE   ARG  39           HE       ARG  39  -1.791   4.296  -3.415
  393   1HH1  ARG  39          2HH2      ARG  39  -4.185   2.396  -5.225
  394   2HH1  ARG  39          1HH2      ARG  39  -3.730   2.968  -6.790
  395   1HH2  ARG  39          2HH1      ARG  39  -1.229   5.156  -5.595
  396   2HH2  ARG  39          1HH1      ARG  39  -2.064   4.597  -7.005
  397    QB   ARG  39           QB       ARG  39  -3.735   0.846  -1.671
  398    QG   ARG  39           QG       ARG  39  -1.892   1.592  -3.063
  399    QD   ARG  39           QD       ARG  39  -3.770   3.093  -2.585
  400    QH1  ARG  39           QH2      ARG  39  -3.958   2.682  -6.007
  401    QH2  ARG  39           QH1      ARG  39  -1.646   4.876  -6.300
  402    H    GLY  40           HN       GLY  40  -1.822  -0.507   0.251
  403   1HA   GLY  40          1HA       GLY  40  -4.266  -1.073   1.345
  404   2HA   GLY  40          2HA       GLY  40  -3.333  -2.564   1.589
  405    QA   GLY  40           QA       GLY  40  -3.800  -1.818   1.467
  406    H    CYS  41           HN       CYS  41  -3.729  -1.715   3.914
  407    HA   CYS  41           HA       CYS  41  -1.924   0.404   4.812
  408   1HB   CYS  41          2HB       CYS  41  -3.236   0.313   6.760
  409   2HB   CYS  41          3HB       CYS  41  -4.394   0.049   5.469
  410    QB   CYS  41           QB       CYS  41  -3.815   0.181   6.115
  411    H    GLY  42           HN       GLY  42  -0.448  -0.152   6.659
  412   1HA   GLY  42          1HA       GLY  42   1.015  -1.527   7.791
  413   2HA   GLY  42          2HA       GLY  42   0.270  -2.972   7.069
  414    QA   GLY  42           QA       GLY  42   0.643  -2.249   7.430
  415    H    CYS  43           HN       CYS  43   2.652  -3.482   6.965
  416    HA   CYS  43           HA       CYS  43   3.648  -2.764   4.231
  417   1HB   CYS  43          2HB       CYS  43   4.937  -1.402   5.819
  418   2HB   CYS  43          3HB       CYS  43   5.410  -2.870   6.685
  419    QB   CYS  43           QB       CYS  43   5.173  -2.136   6.252
  420    HA   PRO  44           HA       PRO  44   3.656  -7.358   4.947
  421   1HB   PRO  44          2HB       PRO  44   1.766  -8.161   3.178
  422   2HB   PRO  44          3HB       PRO  44   1.300  -7.449   4.753
  423   1HG   PRO  44          2HG       PRO  44   1.544  -6.001   2.090
  424   2HG   PRO  44          3HG       PRO  44   0.127  -6.031   3.185
  425   1HD   PRO  44          2HD       PRO  44   2.015  -4.036   3.259
  426   2HD   PRO  44          3HD       PRO  44   1.194  -4.618   4.743
  427    QB   PRO  44           QB       PRO  44   1.533  -7.805   3.966
  428    QG   PRO  44           QG       PRO  44   0.836  -6.016   2.638
  429    QD   PRO  44           QD       PRO  44   1.605  -4.327   4.001
  430    H    LYS  45           HN       LYS  45   4.050  -8.989   3.069
  431    HA   LYS  45           HA       LYS  45   5.797  -7.737   1.003
  432   1HB   LYS  45          2HB       LYS  45   6.903  -9.099   2.577
  433   2HB   LYS  45          3HB       LYS  45   5.821 -10.483   2.304
  434   1HG   LYS  45          2HG       LYS  45   6.733 -10.731   0.036
  435   2HG   LYS  45          3HG       LYS  45   7.754  -9.295   0.252
  436   1HD   LYS  45          2HD       LYS  45   7.894 -11.902   1.842
  437   2HD   LYS  45          3HD       LYS  45   8.951 -11.445   0.496
  438   1HE   LYS  45          2HE       LYS  45   9.661  -9.400   1.865
  439   2HE   LYS  45          3HE       LYS  45   8.780 -10.093   3.238
  440   1HZ   LYS  45          3HZ       LYS  45  10.204 -12.022   3.098
  441   2HZ   LYS  45          1HZ       LYS  45  11.050 -11.349   1.855
  442   3HZ   LYS  45          2HZ       LYS  45  11.069 -10.649   3.340
  443    QB   LYS  45           QB       LYS  45   6.362  -9.791   2.441
  444    QG   LYS  45           QG       LYS  45   7.244 -10.013   0.144
  445    QD   LYS  45           QD       LYS  45   8.422 -11.674   1.169
  446    QE   LYS  45           QE       LYS  45   9.221  -9.747   2.552
  447    QZ   LYS  45           QZ       LYS  45  10.774 -11.340   2.764
  448    H    VAL  46           HN       VAL  46   5.882  -8.870  -1.007
  449    HA   VAL  46           HA       VAL  46   3.241  -9.930  -1.958
  450    HB   VAL  46           HB       VAL  46   3.613  -8.764  -4.080
  451   1HG1  VAL  46          3HG1      VAL  46   2.270  -7.674  -2.322
  452   2HG1  VAL  46          1HG1      VAL  46   3.721  -6.844  -1.722
  453   3HG1  VAL  46          2HG1      VAL  46   3.113  -6.508  -3.357
  454   1HG2  VAL  46          1HG2      VAL  46   6.142  -8.642  -3.944
  455   2HG2  VAL  46          2HG2      VAL  46   5.341  -7.154  -4.430
  456   3HG2  VAL  46          3HG2      VAL  46   5.949  -7.332  -2.766
  457    QG1  VAL  46           QG1      VAL  46   3.035  -7.009  -2.467
  458    QG2  VAL  46           QG2      VAL  46   5.811  -7.709  -3.713
  459    QQG  VAL  46           QQG      VAL  46   4.423  -7.359  -3.090
  460    H    LYS  47           HN       LYS  47   3.665 -10.847  -4.313
  461    HA   LYS  47           HA       LYS  47   5.781 -12.908  -4.099
  462   1HB   LYS  47          2HB       LYS  47   3.155 -12.644  -5.446
  463   2HB   LYS  47          3HB       LYS  47   4.316 -13.387  -6.443
  464   1HG   LYS  47          2HG       LYS  47   3.136 -15.093  -5.209
  465   2HG   LYS  47          3HG       LYS  47   4.803 -15.061  -4.620
  466   1HD   LYS  47          2HD       LYS  47   4.086 -13.690  -2.662
  467   2HD   LYS  47          3HD       LYS  47   2.420 -13.690  -3.279
  468   1HE   LYS  47          2HE       LYS  47   2.341 -16.171  -3.055
  469   2HE   LYS  47          3HE       LYS  47   4.027 -16.183  -2.506
  470   1HZ   LYS  47          3HZ       LYS  47   3.334 -14.880  -0.596
  471   2HZ   LYS  47          1HZ       LYS  47   1.766 -14.937  -1.089
  472   3HZ   LYS  47          2HZ       LYS  47   2.548 -16.319  -0.668
  473    QB   LYS  47           QB       LYS  47   3.735 -13.016  -5.945
  474    QG   LYS  47           QG       LYS  47   3.970 -15.077  -4.914
  475    QD   LYS  47           QD       LYS  47   3.253 -13.690  -2.970
  476    QE   LYS  47           QE       LYS  47   3.184 -16.177  -2.781
  477    QZ   LYS  47           QZ       LYS  47   2.549 -15.378  -0.784
  478    HA   PRO  48           HA       PRO  48   8.431 -10.964  -6.844
  479   1HB   PRO  48          2HB       PRO  48   9.480 -12.894  -8.468
  480   2HB   PRO  48          3HB       PRO  48   9.699 -12.896  -6.696
  481   1HG   PRO  48          2HG       PRO  48   7.702 -14.469  -8.318
  482   2HG   PRO  48          3HG       PRO  48   8.732 -15.055  -6.983
  483   1HD   PRO  48          2HD       PRO  48   6.109 -14.306  -6.724
  484   2HD   PRO  48          3HD       PRO  48   7.223 -14.138  -5.361
  485    QB   PRO  48           QB       PRO  48   9.590 -12.895  -7.582
  486    QG   PRO  48           QG       PRO  48   8.217 -14.762  -7.650
  487    QD   PRO  48           QD       PRO  48   6.666 -14.222  -6.042
  488    H    GLY  49           HN       GLY  49   8.946 -10.281  -9.121
  489   1HA   GLY  49          1HA       GLY  49   8.337  -9.446 -11.135
  490   2HA   GLY  49          2HA       GLY  49   7.191 -10.780 -11.272
  491    QA   GLY  49           QA       GLY  49   7.764 -10.113 -11.204
  492    H    VAL  50           HN       VAL  50   6.733  -8.848  -8.444
  493    HA   VAL  50           HA       VAL  50   4.732  -7.044  -9.717
  494    HB   VAL  50           HB       VAL  50   4.490  -8.711  -7.169
  495   1HG1  VAL  50          1HG1      VAL  50   2.662  -6.503  -8.203
  496   2HG1  VAL  50          2HG1      VAL  50   2.243  -7.661  -6.926
  497   3HG1  VAL  50          3HG1      VAL  50   3.573  -6.524  -6.680
  498   1HG2  VAL  50          2HG2      VAL  50   2.880  -8.699  -9.761
  499   2HG2  VAL  50          3HG2      VAL  50   3.943  -9.994  -9.181
  500   3HG2  VAL  50          1HG2      VAL  50   2.458  -9.616  -8.302
  501    QG1  VAL  50           QG1      VAL  50   2.826  -6.896  -7.270
  502    QG2  VAL  50           QG2      VAL  50   3.093  -9.436  -9.081
  503    QQG  VAL  50           QQG      VAL  50   2.960  -8.166  -8.175
  504    H    GLY  51           HN       GLY  51   5.303  -4.933  -9.250
  505   1HA   GLY  51          1HA       GLY  51   7.540  -4.467  -7.556
  506   2HA   GLY  51          2HA       GLY  51   6.647  -3.205  -8.368
  507    QA   GLY  51           QA       GLY  51   7.094  -3.836  -7.962
  508    H    ILE  52           HN       ILE  52   7.413  -2.892  -5.860
  509    HA   ILE  52           HA       ILE  52   4.972  -2.746  -4.260
  510    HB   ILE  52           HB       ILE  52   5.518  -5.016  -3.844
  511   1HG1  ILE  52          2HG1      ILE  52   6.108  -5.093  -1.465
  512   2HG1  ILE  52          3HG1      ILE  52   6.573  -3.406  -1.467
  513   1HG2  ILE  52          2HG2      ILE  52   8.385  -4.161  -3.251
  514   2HG2  ILE  52          3HG2      ILE  52   7.729  -5.785  -3.005
  515   3HG2  ILE  52          1HG2      ILE  52   7.834  -5.133  -4.636
  516   1HD1  ILE  52          3HD1      ILE  52   3.792  -4.455  -2.201
  517   2HD1  ILE  52          1HD1      ILE  52   4.287  -3.980  -0.562
  518   3HD1  ILE  52          2HD1      ILE  52   4.236  -2.775  -1.849
  519    QG1  ILE  52           QG1      ILE  52   6.341  -4.250  -1.466
  520    QG2  ILE  52           QG2      ILE  52   7.983  -5.026  -3.630
  521    QD1  ILE  52           QD1      ILE  52   4.105  -3.736  -1.537
  522    H    HIS  53           HN       HIS  53   5.129  -1.261  -2.636
  523    HA   HIS  53           HA       HIS  53   7.711  -0.481  -1.588
  524   1HB   HIS  53          2HB       HIS  53   7.280   1.041  -3.645
  525   2HB   HIS  53          3HB       HIS  53   5.948   1.734  -2.734
  526    HD1  HIS  53           HD1      HIS  53   6.650   3.647  -1.025
  527    HD2  HIS  53           HD2      HIS  53   9.793   1.106  -2.253
  528    HE1  HIS  53           HE1      HIS  53   8.787   4.537   0.082
  529    HE2  HIS  53           HE2      HIS  53  10.694   2.997  -0.679
  530    QB   HIS  53           QB       HIS  53   6.614   1.388  -3.189
  531    H    CYS  54           HN       CYS  54   7.441   0.251   0.600
  532    HA   CYS  54           HA       CYS  54   4.753   1.055   1.419
  533   1HB   CYS  54          2HB       CYS  54   4.700  -0.343   3.217
  534   2HB   CYS  54          3HB       CYS  54   5.452  -1.405   2.046
  535    QB   CYS  54           QB       CYS  54   5.076  -0.874   2.632
  536    H    CYS  55           HN       CYS  55   4.847   2.160   3.552
  537    HA   CYS  55           HA       CYS  55   7.293   3.539   4.265
  538   1HB   CYS  55          2HB       CYS  55   6.275   5.805   3.621
  539   2HB   CYS  55          3HB       CYS  55   7.026   4.831   2.369
  540    QB   CYS  55           QB       CYS  55   6.650   5.318   2.995
  541    H    GLN  56           HN       GLN  56   6.926   5.026   5.974
  542    HA   GLN  56           HA       GLN  56   4.902   3.861   7.765
  543   1HB   GLN  56          2HB       GLN  56   6.310   4.590   9.610
  544   2HB   GLN  56          3HB       GLN  56   7.096   3.460   8.515
  545   1HG   GLN  56          2HG       GLN  56   7.503   6.473   8.301
  546   2HG   GLN  56          3HG       GLN  56   8.445   5.454   9.396
  547   1HE2  GLN  56          2HE2      GLN  56   9.634   5.608   5.589
  548   2HE2  GLN  56          1HE2      GLN  56   8.498   6.757   6.275
  549    QB   GLN  56           QB       GLN  56   6.703   4.025   9.063
  550    QG   GLN  56           QG       GLN  56   7.974   5.963   8.849
  551    QE2  GLN  56           QE2      GLN  56   9.066   6.183   5.932
  552    H    SER  57           HN       SER  57   5.024   6.606   6.062
  553    HA   SER  57           HA       SER  57   3.904   8.466   8.044
  554   1HB   SER  57          2HB       SER  57   3.639   9.672   5.602
  555   2HB   SER  57          3HB       SER  57   5.119   9.704   6.570
  556    HG   SER  57           HG       SER  57   4.563   7.793   4.554
  557    QB   SER  57           QB       SER  57   4.379   9.688   6.086
  558    H    ASP  58           HN       ASP  58   1.684   9.447   7.684
  559    HA   ASP  58           HA       ASP  58  -0.309   7.431   6.986
  560   1HB   ASP  58          2HB       ASP  58  -1.873   9.213   7.556
  561   2HB   ASP  58          3HB       ASP  58  -0.623   9.198   8.809
  562    QB   ASP  58           QB       ASP  58  -1.248   9.205   8.182
  563    H    LYS  59           HN       LYS  59  -1.701   7.640   5.255
  564    HA   LYS  59           HA       LYS  59  -2.170   7.827   3.011
  565   1HB   LYS  59          2HB       LYS  59  -1.669  10.787   3.480
  566   2HB   LYS  59          3HB       LYS  59  -2.905  10.021   2.465
  567   1HG   LYS  59          2HG       LYS  59  -3.908   9.084   4.644
  568   2HG   LYS  59          3HG       LYS  59  -2.715  10.058   5.508
  569   1HD   LYS  59          2HD       LYS  59  -4.558  11.370   5.642
  570   2HD   LYS  59          3HD       LYS  59  -3.615  12.113   4.346
  571   1HE   LYS  59          2HE       LYS  59  -5.078  11.081   2.644
  572   2HE   LYS  59          3HE       LYS  59  -5.905  10.128   3.895
  573   1HZ   LYS  59          1HZ       LYS  59  -6.733  12.177   4.829
  574   2HZ   LYS  59          2HZ       LYS  59  -6.026  13.052   3.627
  575   3HZ   LYS  59          3HZ       LYS  59  -7.225  11.979   3.276
  576    QB   LYS  59           QB       LYS  59  -2.287  10.404   2.973
  577    QG   LYS  59           QG       LYS  59  -3.311   9.571   5.076
  578    QD   LYS  59           QD       LYS  59  -4.087  11.742   4.994
  579    QE   LYS  59           QE       LYS  59  -5.491  10.604   3.270
  580    QZ   LYS  59           QZ       LYS  59  -6.661  12.402   3.911
  581    H    CYS  60           HN       CYS  60   0.523   7.136   3.328
  582    HA   CYS  60           HA       CYS  60   2.089   8.869   1.525
  583   1HB   CYS  60          2HB       CYS  60   3.981   7.857   2.440
  584   2HB   CYS  60          3HB       CYS  60   2.826   8.068   3.765
  585    QB   CYS  60           QB       CYS  60   3.403   7.963   3.103
  586    H    ASN  61           HN       ASN  61   0.475   5.741   1.482
  587    HA   ASN  61           HA       ASN  61   2.001   4.747  -0.784
  588   1HB   ASN  61          2HB       ASN  61   0.544   2.848  -0.687
  589   2HB   ASN  61          3HB       ASN  61   1.194   3.210   0.919
  590   1HD2  ASN  61          2HD2      ASN  61  -2.609   2.501   0.892
  591   2HD2  ASN  61          1HD2      ASN  61  -1.209   1.667   0.213
  592    QB   ASN  61           QB       ASN  61   0.869   3.029   0.116
  593    QD2  ASN  61           QD2      ASN  61  -1.909   2.084   0.553
  594    OH   TYR  62           OH       TYR  62  -4.333  11.304  -5.930
  595    H    TYR  62           HN       TYR  62   1.212   7.067  -1.740
  596    HA   TYR  62           HA       TYR  62  -1.125   6.602  -3.517
  597   1HB   TYR  62          2HB       TYR  62   0.100   8.975  -2.715
  598   2HB   TYR  62          3HB       TYR  62   0.874   8.632  -4.261
  599    HD1  TYR  62           HD1      TYR  62  -2.602   8.347  -2.951
  600    HD2  TYR  62           HD2      TYR  62   0.000   9.929  -5.979
  601    HE1  TYR  62           HE1      TYR  62  -4.467   9.726  -3.825
  602    HE2  TYR  62           HE2      TYR  62  -1.895  11.199  -6.941
  603    HH   TYR  62           HH       TYR  62  -5.048  11.404  -5.301
  604    QB   TYR  62           QB       TYR  62   0.487   8.803  -3.488
  605    QR   TYR  62           QR       TYR  62  -2.241   9.800  -4.924
   
  Start of MODEL          12
 Raw file had 605 H/Q atoms
  Start of MODEL   12
    1    NH1  ARG   1           NH2      ARG   1   0.633   8.888  10.479
    2    NH2  ARG   1           NH1      ARG   1   2.789   8.202  10.059
    3    H    ARG   1           HN       ARG   1  -4.034   4.812  12.911
    4    HA   ARG   1           HA       ARG   1  -3.241   6.426  11.230
    5   1HB   ARG   1          2HB       ARG   1  -1.874   4.193  12.076
    6   2HB   ARG   1          3HB       ARG   1  -1.729   4.084  10.329
    7   1HG   ARG   1          2HG       ARG   1  -1.186   6.721  11.830
    8   2HG   ARG   1          3HG       ARG   1  -0.005   5.458  11.784
    9   1HD   ARG   1          2HD       ARG   1  -0.438   5.455   9.158
   10   2HD   ARG   1          3HD       ARG   1  -1.026   7.070   9.430
   11    HE   ARG   1           HE       ARG   1   1.651   5.919   9.704
   12   1HH1  ARG   1          2HH2      ARG   1  -0.299   8.625  10.739
   13   2HH1  ARG   1          1HH2      ARG   1   0.744   9.841  10.100
   14   1HH2  ARG   1          2HH1      ARG   1   3.449   7.578   9.592
   15   2HH2  ARG   1          1HH1      ARG   1   3.133   9.103  10.354
   16    QB   ARG   1           QB       ARG   1  -1.801   4.139  11.202
   17    QG   ARG   1           QG       ARG   1  -0.595   6.090  11.807
   18    QD   ARG   1           QD       ARG   1  -0.732   6.263   9.294
   19    QH1  ARG   1           QH2      ARG   1   0.223   9.233  10.420
   20    QH2  ARG   1           QH1      ARG   1   3.291   8.340   9.973
   21    H    ILE   2           HN       ILE   2  -3.397   7.115   9.040
   22    HA   ILE   2           HA       ILE   2  -5.598   5.686   7.691
   23    HB   ILE   2           HB       ILE   2  -4.584   8.504   7.307
   24   1HG1  ILE   2          2HG1      ILE   2  -5.259   8.386   9.610
   25   2HG1  ILE   2          3HG1      ILE   2  -6.499   9.228   8.695
   26   1HG2  ILE   2          2HG2      ILE   2  -7.190   7.145   6.496
   27   2HG2  ILE   2          3HG2      ILE   2  -6.861   8.886   6.374
   28   3HG2  ILE   2          1HG2      ILE   2  -5.912   7.739   5.423
   29   1HD1  ILE   2          1HD1      ILE   2  -7.866   7.090   8.683
   30   2HD1  ILE   2          2HD1      ILE   2  -6.637   6.372   9.751
   31   3HD1  ILE   2          3HD1      ILE   2  -7.566   7.776  10.285
   32    QG1  ILE   2           QG1      ILE   2  -5.879   8.807   9.153
   33    QG2  ILE   2           QG2      ILE   2  -6.655   7.923   6.098
   34    QD1  ILE   2           QD1      ILE   2  -7.356   7.080   9.573
   35    H    CYS   3           HN       CYS   3  -5.489   4.904   5.616
   36    HA   CYS   3           HA       CYS   3  -3.066   5.467   3.982
   37   1HB   CYS   3          2HB       CYS   3  -4.116   2.690   4.678
   38   2HB   CYS   3          3HB       CYS   3  -2.896   3.043   3.465
   39    QB   CYS   3           QB       CYS   3  -3.506   2.866   4.072
   40    OH   TYR   4           OH       TYR   4  -5.378  11.400  -0.580
   41    H    TYR   4           HN       TYR   4  -3.370   5.130   1.771
   42    HA   TYR   4           HA       TYR   4  -6.133   5.414   0.853
   43   1HB   TYR   4          2HB       TYR   4  -3.441   5.571  -0.491
   44   2HB   TYR   4          3HB       TYR   4  -4.908   5.397  -1.403
   45    HD1  TYR   4           HD1      TYR   4  -6.807   7.134  -1.113
   46    HD2  TYR   4           HD2      TYR   4  -2.776   7.759   0.261
   47    HE1  TYR   4           HE1      TYR   4  -7.183   9.557  -1.165
   48    HE2  TYR   4           HE2      TYR   4  -3.094  10.209  -0.008
   49    HH   TYR   4           HH       TYR   4  -6.095  11.642  -1.173
   50    QB   TYR   4           QB       TYR   4  -4.174   5.484  -0.947
   51    QR   TYR   4           QR       TYR   4  -4.965   8.665  -0.506
   52    H    ASN   5           HN       ASN   5  -7.140   4.010  -0.540
   53    HA   ASN   5           HA       ASN   5  -6.075   1.346  -1.129
   54   1HB   ASN   5          2HB       ASN   5  -7.722   0.080  -0.075
   55   2HB   ASN   5          3HB       ASN   5  -6.960   1.090   1.147
   56   1HD2  ASN   5          2HD2      ASN   5 -10.067   3.117   1.471
   57   2HD2  ASN   5          1HD2      ASN   5  -8.378   3.471   1.130
   58    QB   ASN   5           QB       ASN   5  -7.341   0.585   0.536
   59    QD2  ASN   5           QD2      ASN   5  -9.222   3.294   1.300
   60    H    HIS   6           HN       HIS   6  -6.370   3.111  -2.976
   61    HA   HIS   6           HA       HIS   6  -8.736   2.228  -4.558
   62   1HB   HIS   6          2HB       HIS   6  -8.276   4.178  -6.041
   63   2HB   HIS   6          3HB       HIS   6  -8.861   4.549  -4.438
   64    HD1  HIS   6           HD1      HIS   6  -6.346   5.823  -6.759
   65    HD2  HIS   6           HD2      HIS   6  -6.849   5.310  -2.614
   66    HE1  HIS   6           HE1      HIS   6  -4.665   7.470  -5.564
   67    HE2  HIS   6           HE2      HIS   6  -4.944   7.065  -3.099
   68    QB   HIS   6           QB       HIS   6  -8.569   4.364  -5.239
   69    H    GLN   7           HN       GLN   7  -8.243   1.591  -6.737
   70    HA   GLN   7           HA       GLN   7  -5.546   0.424  -7.041
   71   1HB   GLN   7          2HB       GLN   7  -8.105   0.255  -8.685
   72   2HB   GLN   7          3HB       GLN   7  -6.601  -0.599  -9.066
   73   1HG   GLN   7          2HG       GLN   7  -6.649  -1.746  -6.916
   74   2HG   GLN   7          3HG       GLN   7  -8.175  -0.978  -6.476
   75   1HE2  GLN   7          2HE2      GLN   7 -10.068  -3.030  -8.816
   76   2HE2  GLN   7          1HE2      GLN   7 -10.074  -1.410  -8.133
   77    QB   GLN   7           QB       GLN   7  -7.353  -0.172  -8.875
   78    QG   GLN   7           QG       GLN   7  -7.412  -1.362  -6.696
   79    QE2  GLN   7           QE2      GLN   7 -10.071  -2.220  -8.474
   80    H    SER   8           HN       SER   8  -4.734   0.603  -9.433
   81    HA   SER   8           HA       SER   8  -4.203   3.134 -10.454
   82   1HB   SER   8          2HB       SER   8  -4.399   1.569 -12.718
   83   2HB   SER   8          3HB       SER   8  -3.024   1.516 -11.621
   84    HG   SER   8           HG       SER   8  -5.353  -0.117 -11.509
   85    QB   SER   8           QB       SER   8  -3.711   1.543 -12.170
   86    H    THR   9           HN       THR   9  -5.492   4.701 -11.088
   87    HA   THR   9           HA       THR   9  -7.150   5.903 -11.925
   88    HB   THR   9           HB       THR   9  -7.790   3.690 -13.891
   89    HG1  THR   9          1HG       THR   9  -5.604   3.732 -13.878
   90   1HG2  THR   9          3HG2      THR   9  -7.509   6.722 -14.198
   91   2HG2  THR   9          1HG2      THR   9  -7.943   5.572 -15.472
   92   3HG2  THR   9          2HG2      THR   9  -9.052   5.844 -14.120
   93    QG2  THR   9           QG2      THR   9  -8.168   6.046 -14.597
   94    H    THR  10           HN       THR  10  -7.915   4.710  -9.619
   95    HA   THR  10           HA       THR  10 -10.854   4.608 -10.110
   96    HB   THR  10           HB       THR  10 -11.128   2.997  -8.281
   97    HG1  THR  10          1HG       THR  10  -8.296   2.996  -8.355
   98   1HG2  THR  10          1HG2      THR  10 -11.041   2.166 -10.621
   99   2HG2  THR  10          2HG2      THR  10  -9.302   1.875 -10.463
  100   3HG2  THR  10          3HG2      THR  10 -10.442   0.978  -9.448
  101    QG2  THR  10           QG2      THR  10 -10.262   1.673 -10.177
  102    NH1  ARG  11           NH2      ARG  11 -17.479   7.219  -3.934
  103    NH2  ARG  11           NH1      ARG  11 -16.445   5.412  -2.917
  104    H    ARG  11           HN       ARG  11 -12.110   5.414  -8.394
  105    HA   ARG  11           HA       ARG  11 -11.484   7.924  -7.532
  106   1HB   ARG  11          2HB       ARG  11 -13.741   6.874  -7.559
  107   2HB   ARG  11          3HB       ARG  11 -13.300   5.912  -6.138
  108   1HG   ARG  11          2HG       ARG  11 -12.986   8.087  -4.852
  109   2HG   ARG  11          3HG       ARG  11 -13.492   8.956  -6.308
  110   1HD   ARG  11          2HD       ARG  11 -15.358   8.794  -4.820
  111   2HD   ARG  11          3HD       ARG  11 -15.687   7.754  -6.225
  112    HE   ARG  11           HE       ARG  11 -14.463   6.125  -4.292
  113   1HH1  ARG  11          2HH2      ARG  11 -17.440   7.989  -4.584
  114   2HH1  ARG  11          1HH2      ARG  11 -18.344   7.045  -3.444
  115   1HH2  ARG  11          2HH1      ARG  11 -15.639   4.819  -2.782
  116   2HH2  ARG  11          1HH1      ARG  11 -17.287   5.193  -2.401
  117    QB   ARG  11           QB       ARG  11 -13.521   6.393  -6.849
  118    QG   ARG  11           QG       ARG  11 -13.239   8.521  -5.580
  119    QD   ARG  11           QD       ARG  11 -15.523   8.274  -5.523
  120    QH1  ARG  11           QH2      ARG  11 -17.892   7.517  -4.014
  121    QH2  ARG  11           QH1      ARG  11 -16.463   5.006  -2.592
  122    H    ALA  12           HN       ALA  12 -10.219   8.813  -5.955
  123    HA   ALA  12           HA       ALA  12  -8.402   7.221  -4.518
  124   1HB   ALA  12          1HB       ALA  12  -9.089  10.159  -4.225
  125   2HB   ALA  12          2HB       ALA  12  -7.669   9.354  -3.530
  126   3HB   ALA  12          3HB       ALA  12  -7.860   9.450  -5.294
  127    QB   ALA  12           QB       ALA  12  -8.206   9.654  -4.350
  128    H    THR  13           HN       THR  13  -9.453   5.707  -3.066
  129    HA   THR  13           HA       THR  13 -11.154   6.802  -0.928
  130    HB   THR  13           HB       THR  13 -11.311   4.234  -0.562
  131    HG1  THR  13          1HG       THR  13 -10.209   3.051  -2.023
  132   1HG2  THR  13          2HG2      THR  13 -12.314   5.479  -3.170
  133   2HG2  THR  13          3HG2      THR  13 -12.962   4.010  -2.412
  134   3HG2  THR  13          1HG2      THR  13 -13.120   5.578  -1.589
  135    QG2  THR  13           QG2      THR  13 -12.799   5.023  -2.390
  136    H    THR  14           HN       THR  14 -10.653   6.580   1.222
  137    HA   THR  14           HA       THR  14  -7.930   5.637   1.975
  138    HB   THR  14           HB       THR  14  -8.291   7.255   3.938
  139    HG1  THR  14          1HG       THR  14 -10.545   7.596   3.521
  140   1HG2  THR  14          3HG2      THR  14  -6.738   7.755   2.068
  141   2HG2  THR  14          1HG2      THR  14  -8.089   8.478   1.157
  142   3HG2  THR  14          2HG2      THR  14  -7.548   9.212   2.680
  143    QG2  THR  14           QG2      THR  14  -7.458   8.482   1.968
  144    H    LYS  15           HN       LYS  15  -7.771   4.542   4.028
  145    HA   LYS  15           HA       LYS  15 -10.235   4.033   5.509
  146   1HB   LYS  15          2HB       LYS  15  -9.637   1.673   5.742
  147   2HB   LYS  15          3HB       LYS  15 -10.116   2.069   4.096
  148   1HG   LYS  15          2HG       LYS  15  -7.732   2.057   3.413
  149   2HG   LYS  15          3HG       LYS  15  -7.227   1.745   5.066
  150   1HD   LYS  15          2HD       LYS  15  -9.237  -0.244   4.277
  151   2HD   LYS  15          3HD       LYS  15  -8.010  -0.130   3.034
  152   1HE   LYS  15          2HE       LYS  15  -7.309  -1.841   4.552
  153   2HE   LYS  15          3HE       LYS  15  -6.223  -0.465   4.713
  154   1HZ   LYS  15          2HZ       LYS  15  -7.574   0.142   6.738
  155   2HZ   LYS  15          3HZ       LYS  15  -8.379  -1.276   6.559
  156   3HZ   LYS  15          1HZ       LYS  15  -6.757  -1.262   6.859
  157    QB   LYS  15           QB       LYS  15  -9.877   1.871   4.919
  158    QG   LYS  15           QG       LYS  15  -7.480   1.901   4.240
  159    QD   LYS  15           QD       LYS  15  -8.623  -0.187   3.656
  160    QE   LYS  15           QE       LYS  15  -6.766  -1.153   4.633
  161    QZ   LYS  15           QZ       LYS  15  -7.570  -0.798   6.719
  162    H    SER  16           HN       SER  16  -9.632   3.270   7.681
  163    HA   SER  16           HA       SER  16  -6.977   4.283   8.567
  164   1HB   SER  16          2HB       SER  16  -8.994   4.807   9.961
  165   2HB   SER  16          3HB       SER  16  -9.141   3.072  10.298
  166    HG   SER  16           HG       SER  16  -7.765   3.539  11.845
  167    QB   SER  16           QB       SER  16  -9.067   3.939  10.130
  168    H    CYS  17           HN       CYS  17  -5.674   2.825   9.888
  169    HA   CYS  17           HA       CYS  17  -6.216  -0.026   9.885
  170   1HB   CYS  17          2HB       CYS  17  -4.622   0.925   7.881
  171   2HB   CYS  17          3HB       CYS  17  -3.482   0.269   9.075
  172    QB   CYS  17           QB       CYS  17  -4.052   0.597   8.478
  173    H    GLU  20           HN       GLU  20  -4.574  -1.095  11.395
  174    HA   GLU  20           HA       GLU  20  -4.004   0.695  13.628
  175   1HB   GLU  20          2HB       GLU  20  -3.409  -1.284  14.847
  176   2HB   GLU  20          3HB       GLU  20  -4.982  -1.416  14.077
  177   1HG   GLU  20          2HG       GLU  20  -4.242  -3.486  13.593
  178   2HG   GLU  20          3HG       GLU  20  -3.545  -2.721  12.170
  179    QB   GLU  20           QB       GLU  20  -4.195  -1.350  14.462
  180    QG   GLU  20           QG       GLU  20  -3.893  -3.103  12.881
  181    H    GLU  21           HN       GLU  21  -1.995  -1.398  11.464
  182    HA   GLU  21           HA       GLU  21   0.481  -0.602  12.243
  183   1HB   GLU  21          2HB       GLU  21  -0.304  -0.826   9.324
  184   2HB   GLU  21          3HB       GLU  21   1.314  -1.035  10.002
  185   1HG   GLU  21          2HG       GLU  21   0.485  -3.002  11.299
  186   2HG   GLU  21          3HG       GLU  21  -1.047  -2.902  10.394
  187    QB   GLU  21           QB       GLU  21   0.505  -0.930   9.663
  188    QG   GLU  21           QG       GLU  21  -0.281  -2.952  10.847
  189    H    ASN  22           HN       ASN  22   1.975   0.999  11.636
  190    HA   ASN  22           HA       ASN  22   0.714   3.607  11.137
  191   1HB   ASN  22          2HB       ASN  22   2.699   4.607  12.025
  192   2HB   ASN  22          3HB       ASN  22   2.196   3.312  13.119
  193   1HD2  ASN  22          2HD2      ASN  22   5.949   3.212  12.088
  194   2HD2  ASN  22          1HD2      ASN  22   4.952   4.607  12.469
  195    QB   ASN  22           QB       ASN  22   2.448   3.959  12.572
  196    QD2  ASN  22           QD2      ASN  22   5.450   3.909  12.278
  197    H    SER  23           HN       SER  23   2.097   1.273   9.246
  198    HA   SER  23           HA       SER  23   3.341   3.112   7.307
  199   1HB   SER  23          2HB       SER  23   3.127   0.089   7.189
  200   2HB   SER  23          3HB       SER  23   4.319   1.139   6.414
  201    HG   SER  23           HG       SER  23   5.026  -0.006   8.385
  202    QB   SER  23           QB       SER  23   3.723   0.614   6.801
  203    H    CYS  24           HN       CYS  24   2.857   2.691   5.033
  204    HA   CYS  24           HA       CYS  24   0.337   1.312   4.390
  205   1HB   CYS  24          2HB       CYS  24   1.021   3.949   3.083
  206   2HB   CYS  24          3HB       CYS  24  -0.456   2.999   2.937
  207    QB   CYS  24           QB       CYS  24   0.283   3.474   3.010
  208    OH   TYR  25           OH       TYR  25  -1.389  -4.755   0.052
  209    H    TYR  25           HN       TYR  25   0.414   0.838   1.917
  210    HA   TYR  25           HA       TYR  25   3.081   1.155   0.749
  211   1HB   TYR  25          2HB       TYR  25   3.557  -1.159   0.522
  212   2HB   TYR  25          3HB       TYR  25   3.013  -1.001   2.186
  213    HD1  TYR  25           HD1      TYR  25   0.623  -1.688   2.767
  214    HD2  TYR  25           HD2      TYR  25   2.433  -2.563  -1.035
  215    HE1  TYR  25           HE1      TYR  25  -1.141  -3.371   2.312
  216    HE2  TYR  25           HE2      TYR  25   0.641  -4.184  -1.516
  217    HH   TYR  25           HH       TYR  25  -1.947  -4.896   0.824
  218    QB   TYR  25           QB       TYR  25   3.285  -1.080   1.354
  219    QR   TYR  25           QR       TYR  25   0.639  -2.951   0.632
  220    H    LYS  26           HN       LYS  26   3.240   0.413  -1.479
  221    HA   LYS  26           HA       LYS  26   0.621   0.079  -2.871
  222   1HB   LYS  26          2HB       LYS  26   2.861   1.975  -3.393
  223   2HB   LYS  26          3HB       LYS  26   2.441   0.970  -4.788
  224   1HG   LYS  26          2HG       LYS  26   0.071   1.547  -4.566
  225   2HG   LYS  26          3HG       LYS  26   0.450   2.677  -3.251
  226   1HD   LYS  26          2HD       LYS  26   1.484   2.790  -6.142
  227   2HD   LYS  26          3HD       LYS  26   0.138   3.752  -5.529
  228   1HE   LYS  26          2HE       LYS  26   2.940   3.915  -4.378
  229   2HE   LYS  26          3HE       LYS  26   2.396   4.940  -5.703
  230   1HZ   LYS  26          2HZ       LYS  26   0.847   4.826  -3.228
  231   2HZ   LYS  26          3HZ       LYS  26   2.146   5.866  -3.379
  232   3HZ   LYS  26          1HZ       LYS  26   0.850   5.958  -4.366
  233    QB   LYS  26           QB       LYS  26   2.651   1.472  -4.090
  234    QG   LYS  26           QG       LYS  26   0.261   2.112  -3.909
  235    QD   LYS  26           QD       LYS  26   0.811   3.271  -5.835
  236    QE   LYS  26           QE       LYS  26   2.668   4.427  -5.040
  237    QZ   LYS  26           QZ       LYS  26   1.281   5.550  -3.658
  238    H    LYS  27           HN       LYS  27   0.608  -1.650  -4.285
  239    HA   LYS  27           HA       LYS  27   3.164  -2.981  -4.897
  240   1HB   LYS  27          2HB       LYS  27   2.005  -5.121  -4.988
  241   2HB   LYS  27          3HB       LYS  27   2.057  -4.459  -3.349
  242   1HG   LYS  27          2HG       LYS  27  -0.328  -3.713  -3.615
  243   2HG   LYS  27          3HG       LYS  27  -0.323  -4.415  -5.249
  244   1HD   LYS  27          2HD       LYS  27   0.117  -6.633  -4.387
  245   2HD   LYS  27          3HD       LYS  27   0.253  -6.048  -2.732
  246   1HE   LYS  27          2HE       LYS  27  -2.296  -6.002  -4.422
  247   2HE   LYS  27          3HE       LYS  27  -1.878  -7.201  -3.193
  248   1HZ   LYS  27          2HZ       LYS  27  -1.837  -5.242  -1.568
  249   2HZ   LYS  27          3HZ       LYS  27  -2.619  -4.387  -2.765
  250   3HZ   LYS  27          1HZ       LYS  27  -3.303  -5.661  -2.209
  251    QB   LYS  27           QB       LYS  27   2.031  -4.790  -4.168
  252    QG   LYS  27           QG       LYS  27  -0.325  -4.064  -4.432
  253    QD   LYS  27           QD       LYS  27   0.185  -6.341  -3.560
  254    QE   LYS  27           QE       LYS  27  -2.087  -6.601  -3.807
  255    QZ   LYS  27           QZ       LYS  27  -2.586  -5.097  -2.181
  256    OH   TYR  28           OH       TYR  28   8.177  -0.306  -8.590
  257    H    TYR  28           HN       TYR  28   3.348  -3.579  -7.163
  258    HA   TYR  28           HA       TYR  28   1.018  -2.974  -8.820
  259   1HB   TYR  28          2HB       TYR  28   2.512  -1.642 -10.261
  260   2HB   TYR  28          3HB       TYR  28   2.080  -0.883  -8.725
  261    HD1  TYR  28           HD1      TYR  28   4.908  -3.034 -10.139
  262    HD2  TYR  28           HD2      TYR  28   3.745   0.592  -8.168
  263    HE1  TYR  28           HE1      TYR  28   7.267  -2.481  -9.812
  264    HE2  TYR  28           HE2      TYR  28   6.157   1.220  -7.974
  265    HH   TYR  28           HH       TYR  28   8.781  -0.942  -8.978
  266    QB   TYR  28           QB       TYR  28   2.296  -1.262  -9.493
  267    QR   TYR  28           QR       TYR  28   5.519  -0.926  -9.023
  268    CH2  TRP  29           CH2      TRP  29  -2.941  -6.166  -8.651
  269    H    TRP  29           HN       TRP  29   1.183  -3.705 -10.980
  270    HA   TRP  29           HA       TRP  29   3.460  -5.432 -11.682
  271   1HB   TRP  29          2HB       TRP  29   1.951  -7.209 -12.484
  272   2HB   TRP  29          3HB       TRP  29   1.983  -7.046 -10.737
  273    HD1  TRP  29           HD1      TRP  29  -0.357  -6.993 -13.673
  274    HE1  TRP  29           HE1      TRP  29  -2.760  -6.949 -12.879
  275    HE3  TRP  29           HE3      TRP  29   0.455  -5.874  -8.728
  276    HZ2  TRP  29           HZ2      TRP  29  -4.182  -6.644 -10.354
  277    HZ3  TRP  29           HZ3      TRP  29  -1.448  -5.703  -7.166
  278    HH2  TRP  29           HH2      TRP  29  -3.770  -6.086  -7.962
  279    QB   TRP  29           QB       TRP  29   1.967  -7.128 -11.610
  280    NH1  ARG  30           NH2      ARG  30   6.140  -4.096 -21.158
  281    NH2  ARG  30           NH1      ARG  30   4.362  -3.356 -22.459
  282    H    ARG  30           HN       ARG  30   3.603  -5.696 -14.004
  283    HA   ARG  30           HA       ARG  30   2.207  -3.597 -15.552
  284   1HB   ARG  30          2HB       ARG  30   4.507  -3.992 -16.125
  285   2HB   ARG  30          3HB       ARG  30   4.124  -5.694 -16.541
  286   1HG   ARG  30          2HG       ARG  30   2.600  -4.921 -18.316
  287   2HG   ARG  30          3HG       ARG  30   2.858  -3.225 -17.828
  288   1HD   ARG  30          2HD       ARG  30   5.223  -3.428 -18.479
  289   2HD   ARG  30          3HD       ARG  30   4.955  -5.143 -18.888
  290    HE   ARG  30           HE       ARG  30   3.074  -3.492 -20.329
  291   1HH1  ARG  30          2HH2      ARG  30   6.490  -4.370 -20.252
  292   2HH1  ARG  30          1HH2      ARG  30   6.775  -4.111 -21.942
  293   1HH2  ARG  30          2HH1      ARG  30   3.384  -3.095 -22.516
  294   2HH2  ARG  30          1HH1      ARG  30   4.934  -3.332 -23.290
  295    QB   ARG  30           QB       ARG  30   4.316  -4.843 -16.333
  296    QG   ARG  30           QG       ARG  30   2.729  -4.073 -18.072
  297    QD   ARG  30           QD       ARG  30   5.089  -4.285 -18.684
  298    QH1  ARG  30           QH2      ARG  30   6.632  -4.240 -21.097
  299    QH2  ARG  30           QH1      ARG  30   4.159  -3.213 -22.903
  300    H    ASP  31           HN       ASP  31   0.746  -4.068 -17.106
  301    HA   ASP  31           HA       ASP  31  -0.538  -6.783 -16.980
  302   1HB   ASP  31          2HB       ASP  31  -1.677  -4.978 -15.657
  303   2HB   ASP  31          3HB       ASP  31  -2.112  -4.190 -17.188
  304    QB   ASP  31           QB       ASP  31  -1.895  -4.584 -16.422
  305    H    HIS  32           HN       HIS  32  -0.600  -3.731 -18.950
  306    HA   HIS  32           HA       HIS  32   0.373  -5.237 -21.236
  307   1HB   HIS  32          2HB       HIS  32  -1.607  -4.377 -22.675
  308   2HB   HIS  32          3HB       HIS  32  -1.695  -5.883 -21.781
  309    HD1  HIS  32           HD1      HIS  32  -3.144  -5.821 -19.374
  310    HD2  HIS  32           HD2      HIS  32  -3.804  -2.847 -22.326
  311    HE1  HIS  32           HE1      HIS  32  -5.428  -4.850 -18.921
  312    HE2  HIS  32           HE2      HIS  32  -5.839  -3.036 -20.691
  313    QB   HIS  32           QB       HIS  32  -1.651  -5.130 -22.228
  314    NH1  ARG  33           NH2      ARG  33   1.261   2.651 -22.767
  315    NH2  ARG  33           NH1      ARG  33   0.187   4.202 -24.097
  316    H    ARG  33           HN       ARG  33  -1.455  -2.377 -21.904
  317    HA   ARG  33           HA       ARG  33   1.027  -0.840 -22.413
  318   1HB   ARG  33          2HB       ARG  33  -1.804  -0.798 -23.371
  319   2HB   ARG  33          3HB       ARG  33  -1.108   0.787 -23.169
  320   1HG   ARG  33          2HG       ARG  33   0.241  -1.393 -24.785
  321   2HG   ARG  33          3HG       ARG  33  -0.892  -0.221 -25.453
  322   1HD   ARG  33          2HD       ARG  33   1.791   0.478 -24.162
  323   2HD   ARG  33          3HD       ARG  33   1.411   0.449 -25.865
  324    HE   ARG  33           HE       ARG  33   0.033   2.319 -25.736
  325   1HH1  ARG  33          2HH2      ARG  33   1.511   1.695 -22.583
  326   2HH1  ARG  33          1HH2      ARG  33   1.307   3.303 -21.999
  327   1HH2  ARG  33          2HH1      ARG  33  -0.280   4.462 -24.954
  328   2HH2  ARG  33          1HH1      ARG  33   0.287   4.904 -23.378
  329    QB   ARG  33           QB       ARG  33  -1.456  -0.005 -23.270
  330    QG   ARG  33           QG       ARG  33  -0.326  -0.807 -25.119
  331    QD   ARG  33           QD       ARG  33   1.601   0.464 -25.013
  332    QH1  ARG  33           QH2      ARG  33   1.409   2.499 -22.291
  333    QH2  ARG  33           QH1      ARG  33   0.003   4.683 -24.166
  334    H    GLY  34           HN       GLY  34   0.359  -1.517 -19.651
  335   1HA   GLY  34          1HA       GLY  34   0.500   0.968 -18.356
  336   2HA   GLY  34          2HA       GLY  34  -1.192   0.402 -18.336
  337    QA   GLY  34           QA       GLY  34  -0.346   0.685 -18.346
  338    H    THR  35           HN       THR  35   0.034   0.593 -15.993
  339    HA   THR  35           HA       THR  35   0.675  -2.163 -15.164
  340    HB   THR  35           HB       THR  35   2.334   0.171 -14.972
  341    HG1  THR  35          1HG       THR  35   2.427  -2.339 -13.713
  342   1HG2  THR  35          2HG2      THR  35   1.373  -0.651 -12.210
  343   2HG2  THR  35          3HG2      THR  35   2.747   0.401 -12.588
  344   3HG2  THR  35          1HG2      THR  35   1.106   0.936 -12.981
  345    QG2  THR  35           QG2      THR  35   1.742   0.229 -12.593
  346    H    ILE  36           HN       ILE  36  -0.443  -2.883 -13.405
  347    HA   ILE  36           HA       ILE  36  -2.751  -1.216 -12.574
  348    HB   ILE  36           HB       ILE  36  -2.032  -4.103 -12.087
  349   1HG1  ILE  36          2HG1      ILE  36  -2.890  -3.637 -14.359
  350   2HG1  ILE  36          3HG1      ILE  36  -3.944  -4.691 -13.424
  351   1HG2  ILE  36          1HG2      ILE  36  -4.337  -2.476 -10.950
  352   2HG2  ILE  36          2HG2      ILE  36  -4.363  -4.239 -11.048
  353   3HG2  ILE  36          3HG2      ILE  36  -3.121  -3.425 -10.083
  354   1HD1  ILE  36          3HD1      ILE  36  -5.464  -2.762 -12.981
  355   2HD1  ILE  36          1HD1      ILE  36  -4.406  -1.724 -13.970
  356   3HD1  ILE  36          2HD1      ILE  36  -5.252  -3.089 -14.706
  357    QG1  ILE  36           QG1      ILE  36  -3.417  -4.164 -13.891
  358    QG2  ILE  36           QG2      ILE  36  -3.940  -3.380 -10.694
  359    QD1  ILE  36           QD1      ILE  36  -5.041  -2.525 -13.886
  360    H    ILE  37           HN       ILE  37  -2.765  -0.283 -10.623
  361    HA   ILE  37           HA       ILE  37  -0.464  -0.652  -8.736
  362    HB   ILE  37           HB       ILE  37  -2.299   1.769  -9.065
  363   1HG1  ILE  37          2HG1      ILE  37  -0.817   1.663 -11.025
  364   2HG1  ILE  37          3HG1      ILE  37  -0.489   3.041  -9.984
  365   1HG2  ILE  37          1HG2      ILE  37   0.116   1.267  -7.295
  366   2HG2  ILE  37          2HG2      ILE  37  -0.615   2.867  -7.563
  367   3HG2  ILE  37          3HG2      ILE  37  -1.544   1.583  -6.785
  368   1HD1  ILE  37          3HD1      ILE  37   1.484   1.810  -9.032
  369   2HD1  ILE  37          1HD1      ILE  37   1.119   0.478 -10.160
  370   3HD1  ILE  37          2HD1      ILE  37   1.585   2.070 -10.780
  371    QG1  ILE  37           QG1      ILE  37  -0.653   2.352 -10.505
  372    QG2  ILE  37           QG2      ILE  37  -0.681   1.906  -7.214
  373    QD1  ILE  37           QD1      ILE  37   1.396   1.453  -9.991
  374    H    GLU  38           HN       GLU  38  -1.088  -1.425  -6.752
  375    HA   GLU  38           HA       GLU  38  -3.926  -1.169  -5.931
  376   1HB   GLU  38          2HB       GLU  38  -2.983  -3.552  -6.781
  377   2HB   GLU  38          3HB       GLU  38  -2.348  -3.590  -5.133
  378   1HG   GLU  38          2HG       GLU  38  -5.256  -3.230  -5.952
  379   2HG   GLU  38          3HG       GLU  38  -4.550  -4.695  -5.274
  380    QB   GLU  38           QB       GLU  38  -2.665  -3.571  -5.957
  381    QG   GLU  38           QG       GLU  38  -4.903  -3.963  -5.613
  382    NH1  ARG  39           NH2      ARG  39  -3.726   3.484  -6.604
  383    NH2  ARG  39           NH1      ARG  39  -2.427   5.419  -6.689
  384    H    ARG  39           HN       ARG  39  -4.120  -0.911  -3.592
  385    HA   ARG  39           HA       ARG  39  -1.667   0.218  -2.295
  386   1HB   ARG  39          2HB       ARG  39  -4.456   1.439  -2.663
  387   2HB   ARG  39          3HB       ARG  39  -3.162   2.104  -1.647
  388   1HG   ARG  39          2HG       ARG  39  -1.763   2.372  -3.603
  389   2HG   ARG  39          3HG       ARG  39  -3.063   1.728  -4.649
  390   1HD   ARG  39          2HD       ARG  39  -4.577   3.580  -3.782
  391   2HD   ARG  39          3HD       ARG  39  -3.291   4.069  -2.704
  392    HE   ARG  39           HE       ARG  39  -2.473   5.303  -4.259
  393   1HH1  ARG  39          2HH2      ARG  39  -4.260   2.833  -6.022
  394   2HH1  ARG  39          1HH2      ARG  39  -3.810   3.419  -7.609
  395   1HH2  ARG  39          2HH1      ARG  39  -2.099   6.205  -6.106
  396   2HH2  ARG  39          1HH1      ARG  39  -2.408   5.489  -7.694
  397    QB   ARG  39           QB       ARG  39  -3.809   1.771  -2.155
  398    QG   ARG  39           QG       ARG  39  -2.413   2.050  -4.126
  399    QD   ARG  39           QD       ARG  39  -3.934   3.824  -3.243
  400    QH1  ARG  39           QH2      ARG  39  -4.035   3.126  -6.816
  401    QH2  ARG  39           QH1      ARG  39  -2.254   5.847  -6.900
  402    H    GLY  40           HN       GLY  40  -1.580  -0.212  -0.056
  403   1HA   GLY  40          1HA       GLY  40  -4.120  -0.647   1.325
  404   2HA   GLY  40          2HA       GLY  40  -3.072  -2.075   1.266
  405    QA   GLY  40           QA       GLY  40  -3.596  -1.361   1.296
  406    H    CYS  41           HN       CYS  41  -3.650  -1.255   3.674
  407    HA   CYS  41           HA       CYS  41  -1.799   0.695   4.746
  408   1HB   CYS  41          2HB       CYS  41  -2.985   0.403   6.709
  409   2HB   CYS  41          3HB       CYS  41  -4.225  -0.052   5.563
  410    QB   CYS  41           QB       CYS  41  -3.605   0.175   6.136
  411    H    GLY  42           HN       GLY  42  -0.239   0.038   6.488
  412   1HA   GLY  42          1HA       GLY  42   1.068  -1.478   7.641
  413   2HA   GLY  42          2HA       GLY  42   0.232  -2.796   6.789
  414    QA   GLY  42           QA       GLY  42   0.650  -2.137   7.215
  415    H    CYS  43           HN       CYS  43   2.386  -3.783   6.662
  416    HA   CYS  43           HA       CYS  43   3.531  -3.144   3.998
  417   1HB   CYS  43          2HB       CYS  43   4.886  -1.843   5.605
  418   2HB   CYS  43          3HB       CYS  43   5.302  -3.344   6.444
  419    QB   CYS  43           QB       CYS  43   5.094  -2.594   6.024
  420    HA   PRO  44           HA       PRO  44   3.320  -7.719   4.722
  421   1HB   PRO  44          2HB       PRO  44   1.463  -8.439   2.879
  422   2HB   PRO  44          3HB       PRO  44   0.982  -7.658   4.410
  423   1HG   PRO  44          2HG       PRO  44   1.446  -6.301   1.731
  424   2HG   PRO  44          3HG       PRO  44  -0.019  -6.206   2.754
  425   1HD   PRO  44          2HD       PRO  44   1.973  -4.334   2.868
  426   2HD   PRO  44          3HD       PRO  44   1.076  -4.827   4.337
  427    QB   PRO  44           QB       PRO  44   1.222  -8.048   3.645
  428    QG   PRO  44           QG       PRO  44   0.714  -6.254   2.243
  429    QD   PRO  44           QD       PRO  44   1.525  -4.580   3.602
  430    H    LYS  45           HN       LYS  45   3.473  -9.430   2.758
  431    HA   LYS  45           HA       LYS  45   5.437  -8.437   0.746
  432   1HB   LYS  45          2HB       LYS  45   6.246 -10.123   2.322
  433   2HB   LYS  45          3HB       LYS  45   4.945 -11.220   1.877
  434   1HG   LYS  45          2HG       LYS  45   7.078 -11.896   0.950
  435   2HG   LYS  45          3HG       LYS  45   5.949 -11.557  -0.329
  436   1HD   LYS  45          2HD       LYS  45   8.106 -10.706  -0.944
  437   2HD   LYS  45          3HD       LYS  45   7.099  -9.287  -0.648
  438   1HE   LYS  45          2HE       LYS  45   8.100  -9.021   1.614
  439   2HE   LYS  45          3HE       LYS  45   9.051 -10.496   1.374
  440   1HZ   LYS  45          2HZ       LYS  45  10.153  -9.366  -0.464
  441   2HZ   LYS  45          3HZ       LYS  45   9.302  -7.990  -0.153
  442   3HZ   LYS  45          1HZ       LYS  45  10.357  -8.575   0.959
  443    QB   LYS  45           QB       LYS  45   5.596 -10.671   2.099
  444    QG   LYS  45           QG       LYS  45   6.514 -11.726   0.311
  445    QD   LYS  45           QD       LYS  45   7.603  -9.996  -0.796
  446    QE   LYS  45           QE       LYS  45   8.575  -9.758   1.494
  447    QZ   LYS  45           QZ       LYS  45   9.938  -8.644   0.114
  448    H    VAL  46           HN       VAL  46   5.289  -9.866  -1.276
  449    HA   VAL  46           HA       VAL  46   2.540 -10.473  -2.152
  450    HB   VAL  46           HB       VAL  46   2.884  -9.120  -4.224
  451   1HG1  VAL  46          3HG1      VAL  46   1.507  -8.246  -2.392
  452   2HG1  VAL  46          1HG1      VAL  46   2.934  -7.488  -1.657
  453   3HG1  VAL  46          2HG1      VAL  46   2.372  -6.949  -3.246
  454   1HG2  VAL  46          1HG2      VAL  46   5.359  -8.908  -4.177
  455   2HG2  VAL  46          2HG2      VAL  46   4.555  -7.340  -4.295
  456   3HG2  VAL  46          3HG2      VAL  46   5.236  -7.864  -2.746
  457    QG1  VAL  46           QG1      VAL  46   2.271  -7.561  -2.432
  458    QG2  VAL  46           QG2      VAL  46   5.050  -8.037  -3.739
  459    QQG  VAL  46           QQG      VAL  46   3.661  -7.799  -3.085
  460    H    LYS  47           HN       LYS  47   2.627 -11.404  -4.409
  461    HA   LYS  47           HA       LYS  47   4.455 -13.602  -4.495
  462   1HB   LYS  47          2HB       LYS  47   3.276 -14.188  -6.566
  463   2HB   LYS  47          3HB       LYS  47   2.165 -13.690  -5.325
  464   1HG   LYS  47          2HG       LYS  47   2.005 -11.427  -6.463
  465   2HG   LYS  47          3HG       LYS  47   3.159 -12.013  -7.679
  466   1HD   LYS  47          2HD       LYS  47   1.602 -13.829  -8.308
  467   2HD   LYS  47          3HD       LYS  47   0.429 -13.246  -7.107
  468   1HE   LYS  47          2HE       LYS  47   0.275 -11.069  -8.315
  469   2HE   LYS  47          3HE       LYS  47   1.474 -11.636  -9.496
  470   1HZ   LYS  47          3HZ       LYS  47  -0.084 -13.343 -10.154
  471   2HZ   LYS  47          1HZ       LYS  47  -1.207 -12.785  -9.084
  472   3HZ   LYS  47          2HZ       LYS  47  -0.723 -11.844 -10.340
  473    QB   LYS  47           QB       LYS  47   2.720 -13.939  -5.945
  474    QG   LYS  47           QG       LYS  47   2.582 -11.720  -7.071
  475    QD   LYS  47           QD       LYS  47   1.015 -13.537  -7.708
  476    QE   LYS  47           QE       LYS  47   0.874 -11.352  -8.905
  477    QZ   LYS  47           QZ       LYS  47  -0.672 -12.657  -9.860
  478    HA   PRO  48           HA       PRO  48   7.805 -11.778  -6.671
  479   1HB   PRO  48          2HB       PRO  48   8.749 -13.696  -8.390
  480   2HB   PRO  48          3HB       PRO  48   8.878 -13.819  -6.613
  481   1HG   PRO  48          2HG       PRO  48   6.795 -15.067  -8.404
  482   2HG   PRO  48          3HG       PRO  48   7.720 -15.853  -7.093
  483   1HD   PRO  48          2HD       PRO  48   5.199 -14.919  -6.784
  484   2HD   PRO  48          3HD       PRO  48   6.331 -14.823  -5.424
  485    QB   PRO  48           QB       PRO  48   8.813 -13.757  -7.501
  486    QG   PRO  48           QG       PRO  48   7.258 -15.460  -7.749
  487    QD   PRO  48           QD       PRO  48   5.765 -14.871  -6.104
  488    H    GLY  49           HN       GLY  49   8.554 -10.944  -8.793
  489   1HA   GLY  49          1HA       GLY  49   8.209  -9.854 -10.749
  490   2HA   GLY  49          2HA       GLY  49   7.001 -11.081 -11.143
  491    QA   GLY  49           QA       GLY  49   7.605 -10.468 -10.946
  492    H    VAL  50           HN       VAL  50   6.598  -9.218  -8.206
  493    HA   VAL  50           HA       VAL  50   4.779  -7.220  -9.445
  494    HB   VAL  50           HB       VAL  50   4.202  -8.989  -7.015
  495   1HG1  VAL  50          2HG1      VAL  50   3.366  -6.639  -6.737
  496   2HG1  VAL  50          3HG1      VAL  50   2.447  -6.853  -8.244
  497   3HG1  VAL  50          1HG1      VAL  50   2.082  -7.852  -6.831
  498   1HG2  VAL  50          2HG2      VAL  50   2.949  -8.847  -9.789
  499   2HG2  VAL  50          3HG2      VAL  50   3.768 -10.232  -9.058
  500   3HG2  VAL  50          1HG2      VAL  50   2.219  -9.672  -8.403
  501    QG1  VAL  50           QG1      VAL  50   2.631  -7.115  -7.270
  502    QG2  VAL  50           QG2      VAL  50   2.979  -9.584  -9.084
  503    QQG  VAL  50           QQG      VAL  50   2.805  -8.349  -8.177
  504    H    GLY  51           HN       GLY  51   5.797  -5.281  -8.894
  505   1HA   GLY  51          1HA       GLY  51   7.747  -5.275  -6.824
  506   2HA   GLY  51          2HA       GLY  51   7.260  -3.833  -7.668
  507    QA   GLY  51           QA       GLY  51   7.503  -4.554  -7.246
  508    H    ILE  52           HN       ILE  52   7.665  -3.769  -5.059
  509    HA   ILE  52           HA       ILE  52   5.097  -2.924  -3.988
  510    HB   ILE  52           HB       ILE  52   4.992  -5.178  -3.222
  511   1HG1  ILE  52          2HG1      ILE  52   6.067  -3.676  -0.807
  512   2HG1  ILE  52          3HG1      ILE  52   4.575  -3.173  -1.619
  513   1HG2  ILE  52          3HG2      ILE  52   7.837  -4.835  -2.160
  514   2HG2  ILE  52          1HG2      ILE  52   6.794  -6.224  -1.834
  515   3HG2  ILE  52          2HG2      ILE  52   7.318  -5.897  -3.485
  516   1HD1  ILE  52          2HD1      ILE  52   5.011  -5.938  -0.450
  517   2HD1  ILE  52          3HD1      ILE  52   4.102  -4.609   0.295
  518   3HD1  ILE  52          1HD1      ILE  52   3.536  -5.315  -1.227
  519    QG1  ILE  52           QG1      ILE  52   5.321  -3.425  -1.213
  520    QG2  ILE  52           QG2      ILE  52   7.316  -5.652  -2.493
  521    QD1  ILE  52           QD1      ILE  52   4.216  -5.287  -0.461
  522    H    HIS  53           HN       HIS  53   5.304  -1.125  -2.563
  523    HA   HIS  53           HA       HIS  53   7.924  -0.566  -1.423
  524   1HB   HIS  53          2HB       HIS  53   7.367   1.741  -2.089
  525   2HB   HIS  53          3HB       HIS  53   8.017   0.690  -3.366
  526    HD1  HIS  53           HD1      HIS  53   6.389   3.520  -3.536
  527    HD2  HIS  53           HD2      HIS  53   5.549  -0.392  -4.828
  528    HE1  HIS  53           HE1      HIS  53   5.079   3.727  -5.733
  529    HE2  HIS  53           HE2      HIS  53   4.492   1.329  -6.433
  530    QB   HIS  53           QB       HIS  53   7.692   1.215  -2.727
  531    H    CYS  54           HN       CYS  54   7.647  -0.094   0.651
  532    HA   CYS  54           HA       CYS  54   4.975   0.619   1.723
  533   1HB   CYS  54          2HB       CYS  54   7.462  -0.398   3.128
  534   2HB   CYS  54          3HB       CYS  54   5.892  -0.062   3.872
  535    QB   CYS  54           QB       CYS  54   6.677  -0.230   3.500
  536    H    CYS  55           HN       CYS  55   4.862   2.420   3.267
  537    HA   CYS  55           HA       CYS  55   7.131   4.212   3.587
  538   1HB   CYS  55          2HB       CYS  55   5.887   6.143   2.637
  539   2HB   CYS  55          3HB       CYS  55   6.417   4.962   1.466
  540    QB   CYS  55           QB       CYS  55   6.152   5.552   2.052
  541    H    GLN  56           HN       GLN  56   6.375   6.114   4.911
  542    HA   GLN  56           HA       GLN  56   4.924   4.801   7.153
  543   1HB   GLN  56          2HB       GLN  56   7.485   4.789   7.000
  544   2HB   GLN  56          3HB       GLN  56   7.416   6.510   7.374
  545   1HG   GLN  56          2HG       GLN  56   7.928   5.335   9.371
  546   2HG   GLN  56          3HG       GLN  56   6.264   5.837   9.595
  547   1HE2  GLN  56          2HE2      GLN  56   5.011   2.418   9.238
  548   2HE2  GLN  56          1HE2      GLN  56   4.523   4.092   9.037
  549    QB   GLN  56           QB       GLN  56   7.451   5.650   7.187
  550    QG   GLN  56           QG       GLN  56   7.096   5.586   9.483
  551    QE2  GLN  56           QE2      GLN  56   4.767   3.255   9.137
  552    H    SER  57           HN       SER  57   4.017   7.250   5.398
  553    HA   SER  57           HA       SER  57   3.246   8.942   7.740
  554   1HB   SER  57          2HB       SER  57   2.979  10.838   6.267
  555   2HB   SER  57          3HB       SER  57   4.647  10.304   6.507
  556    HG   SER  57           HG       SER  57   3.051  10.081   4.221
  557    QB   SER  57           QB       SER  57   3.813  10.571   6.387
  558    H    ASP  58           HN       ASP  58   1.109   9.601   7.869
  559    HA   ASP  58           HA       ASP  58  -0.903   7.802   7.032
  560   1HB   ASP  58          2HB       ASP  58  -2.360   9.944   7.466
  561   2HB   ASP  58          3HB       ASP  58  -1.523   9.201   8.827
  562    QB   ASP  58           QB       ASP  58  -1.942   9.573   8.146
  563    H    LYS  59           HN       LYS  59  -1.926   7.631   5.130
  564    HA   LYS  59           HA       LYS  59  -2.564   7.922   2.987
  565   1HB   LYS  59          2HB       LYS  59  -2.044  10.896   3.433
  566   2HB   LYS  59          3HB       LYS  59  -3.023  10.149   2.184
  567   1HG   LYS  59          2HG       LYS  59  -4.599   9.273   3.852
  568   2HG   LYS  59          3HG       LYS  59  -3.613   9.956   5.156
  569   1HD   LYS  59          2HD       LYS  59  -5.487  11.411   4.738
  570   2HD   LYS  59          3HD       LYS  59  -3.967  12.224   4.331
  571   1HE   LYS  59          2HE       LYS  59  -4.353  11.886   1.928
  572   2HE   LYS  59          3HE       LYS  59  -5.762  10.864   2.254
  573   1HZ   LYS  59          3HZ       LYS  59  -5.537  13.732   2.876
  574   2HZ   LYS  59          1HZ       LYS  59  -6.327  13.082   1.592
  575   3HZ   LYS  59          2HZ       LYS  59  -6.874  12.798   3.118
  576    QB   LYS  59           QB       LYS  59  -2.534  10.523   2.809
  577    QG   LYS  59           QG       LYS  59  -4.106   9.614   4.504
  578    QD   LYS  59           QD       LYS  59  -4.727  11.817   4.535
  579    QE   LYS  59           QE       LYS  59  -5.058  11.375   2.091
  580    QZ   LYS  59           QZ       LYS  59  -6.246  13.204   2.529
  581    H    CYS  60           HN       CYS  60   0.562   7.891   3.723
  582    HA   CYS  60           HA       CYS  60   1.860   9.248   1.647
  583   1HB   CYS  60          2HB       CYS  60   3.784   7.930   2.152
  584   2HB   CYS  60          3HB       CYS  60   2.872   8.185   3.623
  585    QB   CYS  60           QB       CYS  60   3.328   8.057   2.888
  586    H    ASN  61           HN       ASN  61   0.251   6.078   1.524
  587    HA   ASN  61           HA       ASN  61   1.564   5.379  -0.954
  588   1HB   ASN  61          2HB       ASN  61   0.397   3.329  -0.865
  589   2HB   ASN  61          3HB       ASN  61   1.002   3.702   0.746
  590   1HD2  ASN  61          2HD2      ASN  61  -2.670   2.516   0.731
  591   2HD2  ASN  61          1HD2      ASN  61  -1.154   1.866   0.072
  592    QB   ASN  61           QB       ASN  61   0.699   3.515  -0.059
  593    QD2  ASN  61           QD2      ASN  61  -1.912   2.191   0.401
  594    OH   TYR  62           OH       TYR  62  -5.182  12.596  -5.400
  595    H    TYR  62           HN       TYR  62  -0.088   7.840  -1.150
  596    HA   TYR  62           HA       TYR  62  -2.560   7.556  -2.266
  597   1HB   TYR  62          2HB       TYR  62  -1.219   9.711  -1.672
  598   2HB   TYR  62          3HB       TYR  62  -0.497   9.459  -3.285
  599    HD1  TYR  62           HD1      TYR  62  -4.104   8.859  -3.088
  600    HD2  TYR  62           HD2      TYR  62  -1.006  11.767  -3.788
  601    HE1  TYR  62           HE1      TYR  62  -5.701  10.264  -4.342
  602    HE2  TYR  62           HE2      TYR  62  -2.623  13.197  -4.986
  603    HH   TYR  62           HH       TYR  62  -4.806  13.412  -5.736
  604    QB   TYR  62           QB       TYR  62  -0.858   9.585  -2.479
  605    QR   TYR  62           QR       TYR  62  -3.359  11.022  -4.051
   
  Start of MODEL          13
 Raw file had 605 H/Q atoms
  Start of MODEL   13
    1    NH1  ARG   1           NH2      ARG   1   1.812   8.466  10.327
    2    NH2  ARG   1           NH1      ARG   1   2.979   6.546   9.808
    3    H    ARG   1           HN       ARG   1  -3.978   4.711  13.146
    4    HA   ARG   1           HA       ARG   1  -3.543   6.578  11.552
    5   1HB   ARG   1          2HB       ARG   1  -2.204   3.959  11.651
    6   2HB   ARG   1          3HB       ARG   1  -1.979   4.689  10.067
    7   1HG   ARG   1          2HG       ARG   1  -1.589   6.391  12.550
    8   2HG   ARG   1          3HG       ARG   1  -0.340   5.249  12.154
    9   1HD   ARG   1          2HD       ARG   1  -1.288   6.940   9.852
   10   2HD   ARG   1          3HD       ARG   1  -0.512   7.789  11.178
   11    HE   ARG   1           HE       ARG   1   0.808   5.442   9.793
   12   1HH1  ARG   1          2HH2      ARG   1   0.924   8.990  10.314
   13   2HH1  ARG   1          1HH2      ARG   1   2.659   9.012  10.373
   14   1HH2  ARG   1          2HH1      ARG   1   2.941   5.558   9.570
   15   2HH2  ARG   1          1HH1      ARG   1   3.855   7.051   9.679
   16    QB   ARG   1           QB       ARG   1  -2.092   4.324  10.859
   17    QG   ARG   1           QG       ARG   1  -0.965   5.820  12.352
   18    QD   ARG   1           QD       ARG   1  -0.900   7.364  10.515
   19    QH1  ARG   1           QH2      ARG   1   1.792   9.001  10.344
   20    QH2  ARG   1           QH1      ARG   1   3.398   6.305   9.625
   21    H    ILE   2           HN       ILE   2  -3.283   7.037   9.087
   22    HA   ILE   2           HA       ILE   2  -5.528   5.690   7.659
   23    HB   ILE   2           HB       ILE   2  -4.941   8.648   7.629
   24   1HG1  ILE   2          2HG1      ILE   2  -6.921   6.896   9.145
   25   2HG1  ILE   2          3HG1      ILE   2  -5.853   8.156   9.785
   26   1HG2  ILE   2          1HG2      ILE   2  -5.918   7.651   5.511
   27   2HG2  ILE   2          2HG2      ILE   2  -7.289   7.081   6.486
   28   3HG2  ILE   2          3HG2      ILE   2  -6.974   8.815   6.304
   29   1HD1  ILE   2          3HD1      ILE   2  -7.292   9.851   8.609
   30   2HD1  ILE   2          1HD1      ILE   2  -8.399   8.519   8.164
   31   3HD1  ILE   2          2HD1      ILE   2  -8.122   8.903   9.866
   32    QG1  ILE   2           QG1      ILE   2  -6.387   7.526   9.465
   33    QG2  ILE   2           QG2      ILE   2  -6.727   7.849   6.101
   34    QD1  ILE   2           QD1      ILE   2  -7.938   9.091   8.880
   35    H    CYS   3           HN       CYS   3  -5.198   5.033   5.703
   36    HA   CYS   3           HA       CYS   3  -2.584   5.617   4.376
   37   1HB   CYS   3          2HB       CYS   3  -3.894   2.918   4.864
   38   2HB   CYS   3          3HB       CYS   3  -2.647   3.188   3.655
   39    QB   CYS   3           QB       CYS   3  -3.271   3.053   4.259
   40    OH   TYR   4           OH       TYR   4  -4.798  11.437  -1.052
   41    H    TYR   4           HN       TYR   4  -2.747   5.231   2.060
   42    HA   TYR   4           HA       TYR   4  -5.486   5.646   0.975
   43   1HB   TYR   4          2HB       TYR   4  -2.669   5.774  -0.081
   44   2HB   TYR   4          3HB       TYR   4  -3.957   5.407  -1.175
   45    HD1  TYR   4           HD1      TYR   4  -6.111   7.091  -0.962
   46    HD2  TYR   4           HD2      TYR   4  -2.079   8.024   0.218
   47    HE1  TYR   4           HE1      TYR   4  -6.523   9.485  -1.445
   48    HE2  TYR   4           HE2      TYR   4  -2.495  10.414  -0.254
   49    HH   TYR   4           HH       TYR   4  -4.002  11.971  -1.003
   50    QB   TYR   4           QB       TYR   4  -3.313   5.590  -0.628
   51    QR   TYR   4           QR       TYR   4  -4.302   8.754  -0.611
   52    H    ASN   5           HN       ASN   5  -6.444   4.061  -0.368
   53    HA   ASN   5           HA       ASN   5  -5.172   1.373  -0.502
   54   1HB   ASN   5          2HB       ASN   5  -7.077   0.308   0.504
   55   2HB   ASN   5          3HB       ASN   5  -6.511   1.553   1.619
   56   1HD2  ASN   5          2HD2      ASN   5 -10.287   1.765   0.173
   57   2HD2  ASN   5          1HD2      ASN   5  -9.222   0.403  -0.153
   58    QB   ASN   5           QB       ASN   5  -6.794   0.930   1.061
   59    QD2  ASN   5           QD2      ASN   5  -9.754   1.084   0.010
   60    H    HIS   6           HN       HIS   6  -5.724   3.475  -2.493
   61    HA   HIS   6           HA       HIS   6  -8.013   2.573  -4.029
   62   1HB   HIS   6          2HB       HIS   6  -7.173   4.135  -5.785
   63   2HB   HIS   6          3HB       HIS   6  -7.593   4.823  -4.222
   64    HD1  HIS   6           HD1      HIS   6  -4.920   5.105  -6.710
   65    HD2  HIS   6           HD2      HIS   6  -5.549   5.552  -2.591
   66    HE1  HIS   6           HE1      HIS   6  -3.047   6.706  -5.811
   67    HE2  HIS   6           HE2      HIS   6  -3.278   6.750  -3.336
   68    QB   HIS   6           QB       HIS   6  -7.383   4.479  -5.003
   69    H    GLN   7           HN       GLN   7  -8.115   1.493  -5.853
   70    HA   GLN   7           HA       GLN   7  -5.811  -0.091  -6.778
   71   1HB   GLN   7          2HB       GLN   7  -7.758  -1.284  -6.012
   72   2HB   GLN   7          3HB       GLN   7  -8.822  -0.392  -7.116
   73   1HG   GLN   7          2HG       GLN   7  -8.018  -1.554  -9.012
   74   2HG   GLN   7          3HG       GLN   7  -6.517  -2.032  -8.206
   75   1HE2  GLN   7          2HE2      GLN   7  -9.785  -4.116  -6.838
   76   2HE2  GLN   7          1HE2      GLN   7  -9.883  -2.366  -6.956
   77    QB   GLN   7           QB       GLN   7  -8.290  -0.838  -6.564
   78    QG   GLN   7           QG       GLN   7  -7.268  -1.793  -8.609
   79    QE2  GLN   7           QE2      GLN   7  -9.834  -3.241  -6.897
   80    H    SER   8           HN       SER   8  -5.684  -0.393  -9.196
   81    HA   SER   8           HA       SER   8  -5.916   1.906 -10.838
   82   1HB   SER   8          2HB       SER   8  -5.858  -0.008 -12.654
   83   2HB   SER   8          3HB       SER   8  -4.462   0.543 -11.738
   84    HG   SER   8           HG       SER   8  -6.114  -1.692 -11.144
   85    QB   SER   8           QB       SER   8  -5.160   0.268 -12.196
   86    H    THR   9           HN       THR   9  -8.193   2.425 -10.008
   87    HA   THR   9           HA       THR   9 -10.254   1.514 -11.930
   88    HB   THR   9           HB       THR   9 -10.662   1.262  -8.916
   89    HG1  THR   9          1HG       THR   9  -9.754  -0.519 -10.851
   90   1HG2  THR   9          2HG2      THR   9 -12.400   0.498 -11.313
   91   2HG2  THR   9          3HG2      THR   9 -12.661  -0.099  -9.660
   92   3HG2  THR   9          1HG2      THR   9 -12.803   1.628 -10.000
   93    QG2  THR   9           QG2      THR   9 -12.621   0.676 -10.324
   94    H    THR  10           HN       THR  10  -9.254   3.819 -12.292
   95    HA   THR  10           HA       THR  10  -9.717   6.081 -12.426
   96    HB   THR  10           HB       THR  10 -11.839   6.735 -12.674
   97    HG1  THR  10          1HG       THR  10 -12.538   4.809 -10.744
   98   1HG2  THR  10          3HG2      THR  10 -11.239   4.869 -14.213
   99   2HG2  THR  10          1HG2      THR  10 -12.158   3.759 -13.169
  100   3HG2  THR  10          2HG2      THR  10 -12.978   5.106 -13.971
  101    QG2  THR  10           QG2      THR  10 -12.125   4.578 -13.784
  102    NH1  ARG  11           NH2      ARG  11 -12.363  11.846  -5.176
  103    NH2  ARG  11           NH1      ARG  11 -12.658  13.745  -6.478
  104    H    ARG  11           HN       ARG  11 -11.769   7.149 -10.595
  105    HA   ARG  11           HA       ARG  11 -10.167   8.701  -8.932
  106   1HB   ARG  11          2HB       ARG  11 -12.438   9.298  -9.401
  107   2HB   ARG  11          3HB       ARG  11 -13.062   7.847  -8.586
  108   1HG   ARG  11          2HG       ARG  11 -12.364   8.637  -6.430
  109   2HG   ARG  11          3HG       ARG  11 -11.443   9.977  -7.137
  110   1HD   ARG  11          2HD       ARG  11 -14.304   9.937  -7.943
  111   2HD   ARG  11          3HD       ARG  11 -14.116  10.037  -6.205
  112    HE   ARG  11           HE       ARG  11 -13.585  12.097  -8.156
  113   1HH1  ARG  11          2HH2      ARG  11 -12.412  10.840  -5.090
  114   2HH1  ARG  11          1HH2      ARG  11 -11.977  12.379  -4.412
  115   1HH2  ARG  11          2HH1      ARG  11 -12.971  14.186  -7.331
  116   2HH2  ARG  11          1HH1      ARG  11 -12.265  14.331  -5.756
  117    QB   ARG  11           QB       ARG  11 -12.750   8.573  -8.994
  118    QG   ARG  11           QG       ARG  11 -11.903   9.307  -6.784
  119    QD   ARG  11           QD       ARG  11 -14.210   9.987  -7.074
  120    QH1  ARG  11           QH2      ARG  11 -12.195  11.610  -4.751
  121    QH2  ARG  11           QH1      ARG  11 -12.618  14.258  -6.543
  122    H    ALA  12           HN       ALA  12  -9.057   8.409  -7.127
  123    HA   ALA  12           HA       ALA  12  -8.909   5.856  -5.806
  124   1HB   ALA  12          3HB       ALA  12  -7.655   8.593  -5.283
  125   2HB   ALA  12          1HB       ALA  12  -7.210   7.136  -4.392
  126   3HB   ALA  12          2HB       ALA  12  -6.914   7.229  -6.147
  127    QB   ALA  12           QB       ALA  12  -7.260   7.653  -5.274
  128    H    THR  13           HN       THR  13  -9.023   5.592  -3.382
  129    HA   THR  13           HA       THR  13 -10.729   7.461  -1.918
  130    HB   THR  13           HB       THR  13 -12.050   5.583  -1.031
  131    HG1  THR  13          1HG       THR  13 -11.862   3.551  -2.095
  132   1HG2  THR  13          3HG2      THR  13 -12.849   6.813  -3.097
  133   2HG2  THR  13          1HG2      THR  13 -12.163   5.502  -4.081
  134   3HG2  THR  13          2HG2      THR  13 -13.473   5.159  -2.942
  135    QG2  THR  13           QG2      THR  13 -12.828   5.825  -3.374
  136    H    THR  14           HN       THR  14 -10.609   6.872   0.464
  137    HA   THR  14           HA       THR  14  -7.887   5.988   1.263
  138    HB   THR  14           HB       THR  14  -8.535   7.679   3.169
  139    HG1  THR  14          1HG       THR  14 -10.174   9.064   2.663
  140   1HG2  THR  14          2HG2      THR  14  -8.021   8.630   0.320
  141   2HG2  THR  14          3HG2      THR  14  -7.822   9.627   1.770
  142   3HG2  THR  14          1HG2      THR  14  -6.795   8.194   1.540
  143    QG2  THR  14           QG2      THR  14  -7.546   8.817   1.210
  144    H    LYS  15           HN       LYS  15  -7.748   5.113   3.495
  145    HA   LYS  15           HA       LYS  15 -10.211   4.587   4.897
  146   1HB   LYS  15          2HB       LYS  15 -10.047   2.716   3.203
  147   2HB   LYS  15          3HB       LYS  15  -8.571   2.180   4.022
  148   1HG   LYS  15          2HG       LYS  15  -9.705   1.315   5.796
  149   2HG   LYS  15          3HG       LYS  15 -11.017   2.518   5.734
  150   1HD   LYS  15          2HD       LYS  15 -10.730   0.338   3.648
  151   2HD   LYS  15          3HD       LYS  15 -11.619   0.124   5.169
  152   1HE   LYS  15          2HE       LYS  15 -13.056   2.094   4.638
  153   2HE   LYS  15          3HE       LYS  15 -12.237   2.290   3.083
  154   1HZ   LYS  15          2HZ       LYS  15 -13.751  -0.102   3.898
  155   2HZ   LYS  15          3HZ       LYS  15 -14.317   1.098   2.930
  156   3HZ   LYS  15          1HZ       LYS  15 -13.065   0.161   2.423
  157    QB   LYS  15           QB       LYS  15  -9.309   2.448   3.612
  158    QG   LYS  15           QG       LYS  15 -10.361   1.916   5.765
  159    QD   LYS  15           QD       LYS  15 -11.175   0.231   4.409
  160    QE   LYS  15           QE       LYS  15 -12.647   2.192   3.861
  161    QZ   LYS  15           QZ       LYS  15 -13.711   0.385   3.084
  162    H    SER  16           HN       SER  16  -9.618   3.250   6.886
  163    HA   SER  16           HA       SER  16  -7.148   4.415   8.057
  164   1HB   SER  16          2HB       SER  16  -9.278   5.290   9.002
  165   2HB   SER  16          3HB       SER  16  -9.656   3.647   9.571
  166    HG   SER  16           HG       SER  16  -7.176   4.890  10.163
  167    QB   SER  16           QB       SER  16  -9.467   4.469   9.286
  168    H    CYS  17           HN       CYS  17  -6.043   3.044   9.599
  169    HA   CYS  17           HA       CYS  17  -6.713   0.185   9.778
  170   1HB   CYS  17          2HB       CYS  17  -4.647   1.128   8.070
  171   2HB   CYS  17          3HB       CYS  17  -4.079  -0.035   9.285
  172    QB   CYS  17           QB       CYS  17  -4.363   0.546   8.677
  173    H    GLU  20           HN       GLU  20  -5.501  -0.792  11.541
  174    HA   GLU  20           HA       GLU  20  -4.671   0.911  13.697
  175   1HB   GLU  20          2HB       GLU  20  -3.719  -1.249  14.587
  176   2HB   GLU  20          3HB       GLU  20  -5.468  -1.175  14.321
  177   1HG   GLU  20          2HG       GLU  20  -3.675  -2.540  12.282
  178   2HG   GLU  20          3HG       GLU  20  -4.233  -3.334  13.734
  179    QB   GLU  20           QB       GLU  20  -4.593  -1.212  14.454
  180    QG   GLU  20           QG       GLU  20  -3.954  -2.937  13.008
  181    H    GLU  21           HN       GLU  21  -2.874  -1.074  11.305
  182    HA   GLU  21           HA       GLU  21  -0.343  -0.569  12.183
  183   1HB   GLU  21          2HB       GLU  21  -0.947  -0.586   9.222
  184   2HB   GLU  21          3HB       GLU  21   0.507  -1.139  10.045
  185   1HG   GLU  21          2HG       GLU  21  -2.181  -2.568  10.223
  186   2HG   GLU  21          3HG       GLU  21  -0.844  -3.017   9.199
  187    QB   GLU  21           QB       GLU  21  -0.220  -0.862   9.634
  188    QG   GLU  21           QG       GLU  21  -1.512  -2.793   9.711
  189    H    ASN  22           HN       ASN  22   1.239   0.873  11.856
  190    HA   ASN  22           HA       ASN  22   0.405   3.587  11.075
  191   1HB   ASN  22          2HB       ASN  22   2.428   4.340  12.182
  192   2HB   ASN  22          3HB       ASN  22   1.535   3.241  13.239
  193   1HD2  ASN  22          2HD2      ASN  22   5.333   2.315  12.225
  194   2HD2  ASN  22          1HD2      ASN  22   4.615   3.883  11.903
  195    QB   ASN  22           QB       ASN  22   1.981   3.791  12.710
  196    QD2  ASN  22           QD2      ASN  22   4.974   3.099  12.064
  197    H    SER  23           HN       SER  23   2.079   0.913   9.633
  198    HA   SER  23           HA       SER  23   3.488   2.561   7.658
  199   1HB   SER  23          2HB       SER  23   3.700  -0.004   6.820
  200   2HB   SER  23          3HB       SER  23   4.743   0.717   8.046
  201    HG   SER  23           HG       SER  23   3.886  -1.217   8.879
  202    QB   SER  23           QB       SER  23   4.222   0.356   7.433
  203    H    CYS  24           HN       CYS  24   3.103   2.122   5.400
  204    HA   CYS  24           HA       CYS  24   0.439   1.096   4.615
  205   1HB   CYS  24          2HB       CYS  24   1.527   3.698   3.515
  206   2HB   CYS  24          3HB       CYS  24  -0.038   2.939   3.218
  207    QB   CYS  24           QB       CYS  24   0.745   3.318   3.367
  208    OH   TYR  25           OH       TYR  25  -1.589  -5.226   0.608
  209    H    TYR  25           HN       TYR  25   0.448   0.592   2.225
  210    HA   TYR  25           HA       TYR  25   3.078   0.674   0.931
  211   1HB   TYR  25          2HB       TYR  25   3.344  -1.647   0.700
  212   2HB   TYR  25          3HB       TYR  25   2.859  -1.455   2.378
  213    HD1  TYR  25           HD2      TYR  25   0.423  -1.947   3.018
  214    HD2  TYR  25           HD1      TYR  25   2.097  -2.986  -0.814
  215    HE1  TYR  25           HE2      TYR  25  -1.372  -3.628   2.677
  216    HE2  TYR  25           HE1      TYR  25   0.340  -4.677  -1.121
  217    HH   TYR  25           HH       TYR  25  -1.305  -5.920   0.013
  218    QB   TYR  25           QB       TYR  25   3.102  -1.551   1.539
  219    QR   TYR  25           QR       TYR  25   0.372  -3.310   0.940
  220    H    LYS  26           HN       LYS  26   3.131  -0.074  -1.257
  221    HA   LYS  26           HA       LYS  26   0.533  -0.118  -2.692
  222   1HB   LYS  26          2HB       LYS  26   1.505   2.140  -2.920
  223   2HB   LYS  26          3HB       LYS  26   3.017   1.451  -3.487
  224   1HG   LYS  26          2HG       LYS  26   0.713   0.428  -5.033
  225   2HG   LYS  26          3HG       LYS  26   0.700   2.167  -5.011
  226   1HD   LYS  26          2HD       LYS  26   3.372   1.021  -5.583
  227   2HD   LYS  26          3HD       LYS  26   2.101   0.546  -6.728
  228   1HE   LYS  26          2HE       LYS  26   1.594   2.806  -7.305
  229   2HE   LYS  26          3HE       LYS  26   2.619   3.441  -6.011
  230   1HZ   LYS  26          1HZ       LYS  26   4.525   2.482  -7.186
  231   2HZ   LYS  26          2HZ       LYS  26   3.545   1.961  -8.399
  232   3HZ   LYS  26          3HZ       LYS  26   3.728   3.570  -8.122
  233    QB   LYS  26           QB       LYS  26   2.261   1.796  -3.204
  234    QG   LYS  26           QG       LYS  26   0.706   1.297  -5.022
  235    QD   LYS  26           QD       LYS  26   2.737   0.783  -6.155
  236    QE   LYS  26           QE       LYS  26   2.107   3.123  -6.658
  237    QZ   LYS  26           QZ       LYS  26   3.933   2.671  -7.902
  238    H    LYS  27           HN       LYS  27   0.409  -1.766  -4.118
  239    HA   LYS  27           HA       LYS  27   2.835  -3.318  -4.861
  240   1HB   LYS  27          2HB       LYS  27   1.356  -5.308  -4.942
  241   2HB   LYS  27          3HB       LYS  27   1.639  -4.645  -3.322
  242   1HG   LYS  27          2HG       LYS  27  -0.562  -3.631  -3.266
  243   2HG   LYS  27          3HG       LYS  27  -0.879  -4.151  -4.926
  244   1HD   LYS  27          2HD       LYS  27  -0.932  -6.509  -4.265
  245   2HD   LYS  27          3HD       LYS  27  -0.173  -6.138  -2.734
  246   1HE   LYS  27          2HE       LYS  27  -2.355  -6.468  -2.025
  247   2HE   LYS  27          3HE       LYS  27  -2.309  -4.713  -2.200
  248   1HZ   LYS  27          2HZ       LYS  27  -3.223  -5.327  -4.555
  249   2HZ   LYS  27          3HZ       LYS  27  -3.744  -6.680  -3.777
  250   3HZ   LYS  27          1HZ       LYS  27  -4.177  -5.170  -3.265
  251    QB   LYS  27           QB       LYS  27   1.498  -4.976  -4.132
  252    QG   LYS  27           QG       LYS  27  -0.720  -3.891  -4.096
  253    QD   LYS  27           QD       LYS  27  -0.552  -6.324  -3.499
  254    QE   LYS  27           QE       LYS  27  -2.332  -5.591  -2.113
  255    QZ   LYS  27           QZ       LYS  27  -3.715  -5.726  -3.866
  256    OH   TYR  28           OH       TYR  28   7.831  -0.378  -6.855
  257    H    TYR  28           HN       TYR  28   3.082  -3.665  -7.105
  258    HA   TYR  28           HA       TYR  28   0.917  -2.777  -8.903
  259   1HB   TYR  28          2HB       TYR  28   2.648  -1.342  -9.997
  260   2HB   TYR  28          3HB       TYR  28   1.959  -0.728  -8.514
  261    HD1  TYR  28           HD2      TYR  28   3.448  -1.251  -6.289
  262    HD2  TYR  28           HD1      TYR  28   4.980  -1.152 -10.327
  263    HE1  TYR  28           HE2      TYR  28   5.590  -0.435  -5.456
  264    HE2  TYR  28           HE1      TYR  28   7.221  -0.577  -9.430
  265    HH   TYR  28           HH       TYR  28   7.901  -0.592  -5.914
  266    QB   TYR  28           QB       TYR  28   2.303  -1.035  -9.255
  267    QR   TYR  28           QR       TYR  28   5.310  -0.854  -7.875
  268    CH2  TRP  29           CH2      TRP  29  -2.234  -6.507  -7.674
  269    H    TRP  29           HN       TRP  29   0.979  -3.672 -10.960
  270    HA   TRP  29           HA       TRP  29   3.373  -5.131 -11.840
  271   1HB   TRP  29          2HB       TRP  29   2.089  -7.216 -12.182
  272   2HB   TRP  29          3HB       TRP  29   2.351  -6.806 -10.498
  273    HD1  TRP  29           HD1      TRP  29  -0.390  -7.417 -13.002
  274    HE1  TRP  29           HE1      TRP  29  -2.618  -7.651 -11.793
  275    HE3  TRP  29           HE3      TRP  29   1.015  -5.755  -8.353
  276    HZ2  TRP  29           HZ2      TRP  29  -3.655  -7.273  -9.108
  277    HZ3  TRP  29           HZ3      TRP  29  -0.587  -5.757  -6.502
  278    HH2  TRP  29           HH2      TRP  29  -2.940  -6.496  -6.857
  279    QB   TRP  29           QB       TRP  29   2.220  -7.011 -11.340
  280    NH1  ARG  30           NH2      ARG  30   6.145  -5.621 -17.494
  281    NH2  ARG  30           NH1      ARG  30   7.866  -4.137 -17.038
  282    H    ARG  30           HN       ARG  30   2.820  -6.179 -14.077
  283    HA   ARG  30           HA       ARG  30   1.252  -4.199 -15.663
  284   1HB   ARG  30          2HB       ARG  30   3.838  -5.578 -16.125
  285   2HB   ARG  30          3HB       ARG  30   2.741  -5.529 -17.504
  286   1HG   ARG  30          2HG       ARG  30   2.455  -3.086 -17.178
  287   2HG   ARG  30          3HG       ARG  30   3.716  -3.081 -15.957
  288   1HD   ARG  30          2HD       ARG  30   4.212  -4.173 -18.790
  289   2HD   ARG  30          3HD       ARG  30   4.134  -2.455 -18.489
  290    HE   ARG  30           HE       ARG  30   6.108  -2.396 -17.430
  291   1HH1  ARG  30          2HH2      ARG  30   5.178  -5.768 -17.741
  292   2HH1  ARG  30          1HH2      ARG  30   6.738  -6.422 -17.335
  293   1HH2  ARG  30          2HH1      ARG  30   8.213  -3.191 -16.962
  294   2HH2  ARG  30          1HH1      ARG  30   8.515  -4.896 -16.886
  295    QB   ARG  30           QB       ARG  30   3.289  -5.553 -16.814
  296    QG   ARG  30           QG       ARG  30   3.085  -3.083 -16.568
  297    QD   ARG  30           QD       ARG  30   4.173  -3.314 -18.639
  298    QH1  ARG  30           QH2      ARG  30   5.958  -6.095 -17.538
  299    QH2  ARG  30           QH1      ARG  30   8.364  -4.043 -16.924
  300    H    ASP  31           HN       ASP  31   0.255  -5.031 -17.604
  301    HA   ASP  31           HA       ASP  31  -0.969  -7.725 -17.201
  302   1HB   ASP  31          2HB       ASP  31  -3.063  -6.825 -17.957
  303   2HB   ASP  31          3HB       ASP  31  -2.493  -5.929 -16.549
  304    QB   ASP  31           QB       ASP  31  -2.778  -6.377 -17.253
  305    H    HIS  32           HN       HIS  32  -0.387  -5.233 -19.634
  306    HA   HIS  32           HA       HIS  32   0.733  -6.899 -21.684
  307   1HB   HIS  32          2HB       HIS  32  -1.434  -6.055 -23.161
  308   2HB   HIS  32          3HB       HIS  32  -1.150  -7.664 -22.534
  309    HD1  HIS  32           HD1      HIS  32  -3.213  -4.562 -21.188
  310    HD2  HIS  32           HD2      HIS  32  -2.907  -8.765 -21.079
  311    HE1  HIS  32           HE1      HIS  32  -5.292  -5.391 -20.046
  312    HE2  HIS  32           HE2      HIS  32  -5.094  -7.937 -19.905
  313    QB   HIS  32           QB       HIS  32  -1.292  -6.859 -22.847
  314    NH1  ARG  33           NH2      ARG  33  -5.552  -2.997 -23.916
  315    NH2  ARG  33           NH1      ARG  33  -5.152  -4.583 -25.558
  316    H    ARG  33           HN       ARG  33  -1.445  -4.078 -21.882
  317    HA   ARG  33           HA       ARG  33   0.860  -2.340 -22.651
  318   1HB   ARG  33          2HB       ARG  33  -0.500  -1.194 -24.135
  319   2HB   ARG  33          3HB       ARG  33  -0.939  -2.883 -24.405
  320   1HG   ARG  33          2HG       ARG  33  -2.929  -2.426 -22.773
  321   2HG   ARG  33          3HG       ARG  33  -2.473  -0.720 -22.895
  322   1HD   ARG  33          2HD       ARG  33  -4.098  -0.857 -24.557
  323   2HD   ARG  33          3HD       ARG  33  -2.604  -1.013 -25.451
  324    HE   ARG  33           HE       ARG  33  -3.106  -3.181 -26.021
  325   1HH1  ARG  33          2HH2      ARG  33  -5.268  -2.154 -23.438
  326   2HH1  ARG  33          1HH2      ARG  33  -6.428  -3.426 -23.658
  327   1HH2  ARG  33          2HH1      ARG  33  -4.598  -4.935 -26.326
  328   2HH2  ARG  33          1HH1      ARG  33  -6.002  -5.076 -25.321
  329    QB   ARG  33           QB       ARG  33  -0.719  -2.039 -24.270
  330    QG   ARG  33           QG       ARG  33  -2.701  -1.573 -22.834
  331    QD   ARG  33           QD       ARG  33  -3.351  -0.935 -25.004
  332    QH1  ARG  33           QH2      ARG  33  -5.848  -2.790 -23.548
  333    QH2  ARG  33           QH1      ARG  33  -5.300  -5.005 -25.824
  334    H    GLY  34           HN       GLY  34  -1.158  -3.058 -20.066
  335   1HA   GLY  34          1HA       GLY  34  -1.434  -0.274 -19.105
  336   2HA   GLY  34          2HA       GLY  34  -2.626  -1.567 -18.861
  337    QA   GLY  34           QA       GLY  34  -2.030  -0.920 -18.983
  338    H    THR  35           HN       THR  35  -2.196  -1.157 -16.585
  339    HA   THR  35           HA       THR  35   0.105  -2.481 -15.357
  340    HB   THR  35           HB       THR  35  -0.250   0.500 -15.656
  341    HG1  THR  35          1HG       THR  35   1.240  -0.958 -16.882
  342   1HG2  THR  35          1HG2      THR  35   1.146  -0.875 -13.337
  343   2HG2  THR  35          2HG2      THR  35   1.527   0.773 -13.880
  344   3HG2  THR  35          3HG2      THR  35  -0.099   0.397 -13.296
  345    QG2  THR  35           QG2      THR  35   0.858   0.098 -13.504
  346    H    ILE  36           HN       ILE  36  -0.665  -3.168 -13.311
  347    HA   ILE  36           HA       ILE  36  -3.374  -2.166 -12.518
  348    HB   ILE  36           HB       ILE  36  -1.863  -4.708 -11.927
  349   1HG1  ILE  36          2HG1      ILE  36  -2.901  -4.564 -14.219
  350   2HG1  ILE  36          3HG1      ILE  36  -3.512  -5.869 -13.218
  351   1HG2  ILE  36          2HG2      ILE  36  -4.515  -3.689 -10.841
  352   2HG2  ILE  36          3HG2      ILE  36  -4.029  -5.390 -10.780
  353   3HG2  ILE  36          1HG2      ILE  36  -3.070  -4.160  -9.932
  354   1HD1  ILE  36          2HD1      ILE  36  -4.956  -3.209 -13.649
  355   2HD1  ILE  36          3HD1      ILE  36  -5.297  -4.728 -14.483
  356   3HD1  ILE  36          1HD1      ILE  36  -5.563  -4.611 -12.738
  357    QG1  ILE  36           QG1      ILE  36  -3.207  -5.217 -13.719
  358    QG2  ILE  36           QG2      ILE  36  -3.871  -4.413 -10.518
  359    QD1  ILE  36           QD1      ILE  36  -5.272  -4.183 -13.623
  360    H    ILE  37           HN       ILE  37  -3.496  -0.956 -10.673
  361    HA   ILE  37           HA       ILE  37  -1.010  -0.696  -9.005
  362    HB   ILE  37           HB       ILE  37  -3.247   1.246  -9.738
  363   1HG1  ILE  37          2HG1      ILE  37  -1.662   0.971 -11.608
  364   2HG1  ILE  37          3HG1      ILE  37  -1.640   2.584 -10.914
  365   1HG2  ILE  37          1HG2      ILE  37  -0.848   1.663  -7.923
  366   2HG2  ILE  37          2HG2      ILE  37  -1.930   2.919  -8.593
  367   3HG2  ILE  37          3HG2      ILE  37  -2.570   1.683  -7.486
  368   1HD1  ILE  37          3HD1      ILE  37   0.462   2.068  -9.696
  369   2HD1  ILE  37          1HD1      ILE  37   0.449   0.424 -10.385
  370   3HD1  ILE  37          2HD1      ILE  37   0.626   1.839 -11.436
  371    QG1  ILE  37           QG1      ILE  37  -1.651   1.778 -11.261
  372    QG2  ILE  37           QG2      ILE  37  -1.783   2.088  -8.001
  373    QD1  ILE  37           QD1      ILE  37   0.513   1.443 -10.506
  374    H    GLU  38           HN       GLU  38  -1.372  -1.210  -6.779
  375    HA   GLU  38           HA       GLU  38  -4.102  -0.941  -5.758
  376   1HB   GLU  38          2HB       GLU  38  -3.217  -3.447  -6.750
  377   2HB   GLU  38          3HB       GLU  38  -2.912  -3.497  -5.004
  378   1HG   GLU  38          2HG       GLU  38  -5.577  -2.704  -6.225
  379   2HG   GLU  38          3HG       GLU  38  -5.205  -4.349  -5.711
  380    QB   GLU  38           QB       GLU  38  -3.065  -3.472  -5.877
  381    QG   GLU  38           QG       GLU  38  -5.391  -3.526  -5.968
  382    NH1  ARG  39           NH2      ARG  39  -1.622   3.851  -6.243
  383    NH2  ARG  39           NH1      ARG  39   0.334   4.938  -5.756
  384    H    ARG  39           HN       ARG  39  -4.177  -0.953  -3.382
  385    HA   ARG  39           HA       ARG  39  -1.530  -0.464  -2.093
  386   1HB   ARG  39          2HB       ARG  39  -3.749   1.526  -2.673
  387   2HB   ARG  39          3HB       ARG  39  -2.710   1.726  -1.261
  388   1HG   ARG  39          2HG       ARG  39  -0.768   1.993  -2.520
  389   2HG   ARG  39          3HG       ARG  39  -1.513   1.399  -4.026
  390   1HD   ARG  39          2HD       ARG  39  -3.016   3.313  -4.113
  391   2HD   ARG  39          3HD       ARG  39  -2.450   3.858  -2.542
  392    HE   ARG  39           HE       ARG  39  -0.502   4.657  -3.335
  393   1HH1  ARG  39          2HH2      ARG  39  -2.371   3.235  -5.959
  394   2HH1  ARG  39          1HH2      ARG  39  -1.493   4.082  -7.214
  395   1HH2  ARG  39          2HH1      ARG  39   0.765   5.531  -5.039
  396   2HH2  ARG  39          1HH1      ARG  39   0.443   5.247  -6.705
  397    QB   ARG  39           QB       ARG  39  -3.230   1.626  -1.967
  398    QG   ARG  39           QG       ARG  39  -1.141   1.696  -3.273
  399    QD   ARG  39           QD       ARG  39  -2.733   3.586  -3.328
  400    QH1  ARG  39           QH2      ARG  39  -1.932   3.659  -6.586
  401    QH2  ARG  39           QH1      ARG  39   0.604   5.389  -5.872
  402    H    GLY  40           HN       GLY  40  -1.584  -0.359   0.208
  403   1HA   GLY  40          1HA       GLY  40  -4.137  -0.782   1.541
  404   2HA   GLY  40          2HA       GLY  40  -3.113  -2.228   1.516
  405    QA   GLY  40           QA       GLY  40  -3.625  -1.505   1.529
  406    H    CYS  41           HN       CYS  41  -3.709  -1.351   3.901
  407    HA   CYS  41           HA       CYS  41  -1.769   0.518   4.992
  408   1HB   CYS  41          2HB       CYS  41  -3.138   0.318   6.950
  409   2HB   CYS  41          3HB       CYS  41  -4.265   0.173   5.615
  410    QB   CYS  41           QB       CYS  41  -3.702   0.245   6.282
  411    H    GLY  42           HN       GLY  42  -0.350  -0.206   6.830
  412   1HA   GLY  42          1HA       GLY  42   1.007  -1.743   7.923
  413   2HA   GLY  42          2HA       GLY  42   0.206  -3.077   7.093
  414    QA   GLY  42           QA       GLY  42   0.606  -2.410   7.508
  415    H    CYS  43           HN       CYS  43   2.357  -3.955   6.697
  416    HA   CYS  43           HA       CYS  43   3.297  -3.145   4.035
  417   1HB   CYS  43          2HB       CYS  43   4.773  -1.809   5.468
  418   2HB   CYS  43          3HB       CYS  43   5.226  -3.269   6.362
  419    QB   CYS  43           QB       CYS  43   4.999  -2.539   5.915
  420    HA   PRO  44           HA       PRO  44   3.408  -7.717   4.639
  421   1HB   PRO  44          2HB       PRO  44   1.406  -8.514   3.036
  422   2HB   PRO  44          3HB       PRO  44   1.041  -7.735   4.604
  423   1HG   PRO  44          2HG       PRO  44   1.090  -6.435   1.868
  424   2HG   PRO  44          3HG       PRO  44  -0.192  -6.322   3.112
  425   1HD   PRO  44          2HD       PRO  44   1.900  -4.493   2.768
  426   2HD   PRO  44          3HD       PRO  44   1.024  -4.727   4.317
  427    QB   PRO  44           QB       PRO  44   1.223  -8.124   3.820
  428    QG   PRO  44           QG       PRO  44   0.449  -6.378   2.490
  429    QD   PRO  44           QD       PRO  44   1.462  -4.610   3.543
  430    H    LYS  45           HN       LYS  45   3.915  -9.334   2.918
  431    HA   LYS  45           HA       LYS  45   5.611  -8.181   0.798
  432   1HB   LYS  45          2HB       LYS  45   6.560  -9.857   2.207
  433   2HB   LYS  45          3HB       LYS  45   5.185 -10.951   1.959
  434   1HG   LYS  45          2HG       LYS  45   5.827 -11.370  -0.308
  435   2HG   LYS  45          3HG       LYS  45   7.154 -10.169  -0.229
  436   1HD   LYS  45          2HD       LYS  45   8.264 -11.558   1.487
  437   2HD   LYS  45          3HD       LYS  45   6.888 -12.673   1.481
  438   1HE   LYS  45          2HE       LYS  45   7.612 -12.528  -1.248
  439   2HE   LYS  45          3HE       LYS  45   9.171 -12.423  -0.423
  440   1HZ   LYS  45          1HZ       LYS  45   8.547 -14.474   0.750
  441   2HZ   LYS  45          2HZ       LYS  45   7.148 -14.548  -0.120
  442   3HZ   LYS  45          3HZ       LYS  45   8.598 -14.675  -0.881
  443    QB   LYS  45           QB       LYS  45   5.872 -10.404   2.083
  444    QG   LYS  45           QG       LYS  45   6.490 -10.769  -0.268
  445    QD   LYS  45           QD       LYS  45   7.576 -12.116   1.484
  446    QE   LYS  45           QE       LYS  45   8.391 -12.476  -0.835
  447    QZ   LYS  45           QZ       LYS  45   8.098 -14.566  -0.084
  448    H    VAL  46           HN       VAL  46   5.571  -9.270  -1.318
  449    HA   VAL  46           HA       VAL  46   2.882 -10.061  -2.321
  450    HB   VAL  46           HB       VAL  46   3.375  -8.770  -4.400
  451   1HG1  VAL  46          1HG1      VAL  46   1.876  -7.837  -2.719
  452   2HG1  VAL  46          2HG1      VAL  46   3.245  -7.083  -1.870
  453   3HG1  VAL  46          3HG1      VAL  46   2.833  -6.573  -3.518
  454   1HG2  VAL  46          3HG2      VAL  46   5.864  -8.594  -4.138
  455   2HG2  VAL  46          1HG2      VAL  46   5.061  -7.055  -4.458
  456   3HG2  VAL  46          2HG2      VAL  46   5.610  -7.439  -2.813
  457    QG1  VAL  46           QG1      VAL  46   2.651  -7.164  -2.703
  458    QG2  VAL  46           QG2      VAL  46   5.512  -7.696  -3.803
  459    QQG  VAL  46           QQG      VAL  46   4.081  -7.430  -3.253
  460    H    LYS  47           HN       LYS  47   3.275 -10.859  -4.722
  461    HA   LYS  47           HA       LYS  47   5.170 -13.079  -4.558
  462   1HB   LYS  47          2HB       LYS  47   2.767 -12.397  -6.120
  463   2HB   LYS  47          3HB       LYS  47   4.012 -12.921  -7.175
  464   1HG   LYS  47          2HG       LYS  47   3.096 -14.960  -6.676
  465   2HG   LYS  47          3HG       LYS  47   4.267 -14.912  -5.376
  466   1HD   LYS  47          2HD       LYS  47   2.472 -15.380  -4.045
  467   2HD   LYS  47          3HD       LYS  47   2.263 -13.636  -4.087
  468   1HE   LYS  47          2HE       LYS  47   0.131 -14.735  -4.493
  469   2HE   LYS  47          3HE       LYS  47   0.615 -13.872  -5.961
  470   1HZ   LYS  47          2HZ       LYS  47   1.064 -16.761  -5.530
  471   2HZ   LYS  47          3HZ       LYS  47  -0.252 -16.149  -6.297
  472   3HZ   LYS  47          1HZ       LYS  47   1.239 -15.930  -6.939
  473    QB   LYS  47           QB       LYS  47   3.389 -12.659  -6.647
  474    QG   LYS  47           QG       LYS  47   3.682 -14.936  -6.026
  475    QD   LYS  47           QD       LYS  47   2.368 -14.508  -4.066
  476    QE   LYS  47           QE       LYS  47   0.373 -14.303  -5.227
  477    QZ   LYS  47           QZ       LYS  47   0.684 -16.280  -6.256
  478    HA   PRO  48           HA       PRO  48   8.355 -11.230  -6.957
  479   1HB   PRO  48          2HB       PRO  48   9.344 -13.185  -8.555
  480   2HB   PRO  48          3HB       PRO  48   9.348 -13.346  -6.775
  481   1HG   PRO  48          2HG       PRO  48   7.372 -14.510  -8.741
  482   2HG   PRO  48          3HG       PRO  48   8.168 -15.337  -7.372
  483   1HD   PRO  48          2HD       PRO  48   5.642 -14.228  -7.324
  484   2HD   PRO  48          3HD       PRO  48   6.601 -14.392  -5.839
  485    QB   PRO  48           QB       PRO  48   9.346 -13.266  -7.665
  486    QG   PRO  48           QG       PRO  48   7.770 -14.924  -8.057
  487    QD   PRO  48           QD       PRO  48   6.122 -14.310  -6.582
  488    H    GLY  49           HN       GLY  49   9.102 -10.587  -9.203
  489   1HA   GLY  49          1HA       GLY  49   8.692  -9.601 -11.209
  490   2HA   GLY  49          2HA       GLY  49   7.505 -10.879 -11.501
  491    QA   GLY  49           QA       GLY  49   8.098 -10.240 -11.355
  492    H    VAL  50           HN       VAL  50   7.050  -8.905  -8.675
  493    HA   VAL  50           HA       VAL  50   5.090  -7.081  -9.949
  494    HB   VAL  50           HB       VAL  50   4.746  -8.911  -7.520
  495   1HG1  VAL  50          2HG1      VAL  50   3.059  -6.545  -8.329
  496   2HG1  VAL  50          3HG1      VAL  50   2.574  -7.773  -7.142
  497   3HG1  VAL  50          1HG1      VAL  50   3.965  -6.740  -6.820
  498   1HG2  VAL  50          1HG2      VAL  50   3.504  -8.749 -10.263
  499   2HG2  VAL  50          2HG2      VAL  50   3.973 -10.157  -9.307
  500   3HG2  VAL  50          3HG2      VAL  50   2.494  -9.274  -8.907
  501    QG1  VAL  50           QG1      VAL  50   3.199  -7.019  -7.430
  502    QG2  VAL  50           QG2      VAL  50   3.324  -9.393  -9.492
  503    QQG  VAL  50           QQG      VAL  50   3.261  -8.206  -8.461
  504    H    GLY  51           HN       GLY  51   5.370  -4.996  -9.158
  505   1HA   GLY  51          1HA       GLY  51   7.678  -4.548  -7.549
  506   2HA   GLY  51          2HA       GLY  51   6.717  -3.298  -8.286
  507    QA   GLY  51           QA       GLY  51   7.198  -3.923  -7.918
  508    H    ILE  52           HN       ILE  52   7.568  -3.052  -5.802
  509    HA   ILE  52           HA       ILE  52   5.159  -2.966  -4.133
  510    HB   ILE  52           HB       ILE  52   6.109  -5.176  -3.713
  511   1HG1  ILE  52          2HG1      ILE  52   6.432  -5.174  -1.324
  512   2HG1  ILE  52          3HG1      ILE  52   6.695  -3.432  -1.282
  513   1HG2  ILE  52          1HG2      ILE  52   8.478  -4.736  -4.317
  514   2HG2  ILE  52          2HG2      ILE  52   8.675  -3.816  -2.808
  515   3HG2  ILE  52          3HG2      ILE  52   8.307  -5.548  -2.762
  516   1HD1  ILE  52          3HD1      ILE  52   4.115  -4.671  -2.335
  517   2HD1  ILE  52          1HD1      ILE  52   4.381  -4.331  -0.612
  518   3HD1  ILE  52          2HD1      ILE  52   4.388  -3.006  -1.774
  519    QG1  ILE  52           QG1      ILE  52   6.564  -4.303  -1.303
  520    QG2  ILE  52           QG2      ILE  52   8.487  -4.700  -3.296
  521    QD1  ILE  52           QD1      ILE  52   4.295  -4.002  -1.574
  522    H    HIS  53           HN       HIS  53   5.379  -1.398  -2.408
  523    HA   HIS  53           HA       HIS  53   7.950  -0.370  -1.666
  524   1HB   HIS  53          2HB       HIS  53   7.465   1.045  -3.697
  525   2HB   HIS  53          3HB       HIS  53   5.948   1.546  -2.949
  526    HD1  HIS  53           HD1      HIS  53   6.625   4.115  -2.786
  527    HD2  HIS  53           HD2      HIS  53   9.378   1.429  -1.040
  528    HE1  HIS  53           HE1      HIS  53   8.339   5.536  -1.509
  529    HE2  HIS  53           HE2      HIS  53   9.976   3.885  -0.418
  530    QB   HIS  53           QB       HIS  53   6.707   1.295  -3.323
  531    H    CYS  54           HN       CYS  54   7.776   0.382   0.492
  532    HA   CYS  54           HA       CYS  54   5.061   0.649   1.678
  533   1HB   CYS  54          2HB       CYS  54   7.541  -0.598   2.905
  534   2HB   CYS  54          3HB       CYS  54   6.078  -0.157   3.790
  535    QB   CYS  54           QB       CYS  54   6.809  -0.377   3.347
  536    H    CYS  55           HN       CYS  55   5.003   2.187   3.545
  537    HA   CYS  55           HA       CYS  55   7.275   3.883   4.066
  538   1HB   CYS  55          2HB       CYS  55   6.112   5.949   3.319
  539   2HB   CYS  55          3HB       CYS  55   6.652   4.913   2.014
  540    QB   CYS  55           QB       CYS  55   6.382   5.431   2.666
  541    H    GLN  56           HN       GLN  56   6.448   5.763   5.513
  542    HA   GLN  56           HA       GLN  56   4.525   4.674   7.535
  543   1HB   GLN  56          2HB       GLN  56   6.844   3.803   7.846
  544   2HB   GLN  56          3HB       GLN  56   7.439   5.457   8.021
  545   1HG   GLN  56          2HG       GLN  56   6.275   5.728  10.126
  546   2HG   GLN  56          3HG       GLN  56   5.308   4.270   9.845
  547   1HE2  GLN  56          2HE2      GLN  56   7.991   2.077  10.846
  548   2HE2  GLN  56          1HE2      GLN  56   6.568   2.156   9.819
  549    QB   GLN  56           QB       GLN  56   7.142   4.630   7.934
  550    QG   GLN  56           QG       GLN  56   5.792   4.999   9.985
  551    QE2  GLN  56           QE2      GLN  56   7.280   2.117  10.333
  552    H    SER  57           HN       SER  57   3.830   6.784   5.931
  553    HA   SER  57           HA       SER  57   3.452   8.784   8.080
  554   1HB   SER  57          2HB       SER  57   4.237   9.532   5.236
  555   2HB   SER  57          3HB       SER  57   3.455  10.634   6.370
  556    HG   SER  57           HG       SER  57   5.249  10.368   7.732
  557    QB   SER  57           QB       SER  57   3.846  10.083   5.803
  558    H    ASP  58           HN       ASP  58   1.373   9.964   7.812
  559    HA   ASP  58           HA       ASP  58  -0.736   8.185   7.155
  560   1HB   ASP  58          2HB       ASP  58  -0.697  11.217   7.514
  561   2HB   ASP  58          3HB       ASP  58  -2.153  10.234   7.342
  562    QB   ASP  58           QB       ASP  58  -1.425  10.725   7.428
  563    H    LYS  59           HN       LYS  59  -1.764   7.833   5.244
  564    HA   LYS  59           HA       LYS  59  -2.138   7.834   2.964
  565   1HB   LYS  59          2HB       LYS  59  -2.074  10.837   3.517
  566   2HB   LYS  59          3HB       LYS  59  -2.764  10.113   2.078
  567   1HG   LYS  59          2HG       LYS  59  -4.452   8.927   3.334
  568   2HG   LYS  59          3HG       LYS  59  -3.668   9.312   4.862
  569   1HD   LYS  59          2HD       LYS  59  -5.455  10.717   4.838
  570   2HD   LYS  59          3HD       LYS  59  -4.088  11.760   4.451
  571   1HE   LYS  59          2HE       LYS  59  -4.845  12.201   2.299
  572   2HE   LYS  59          3HE       LYS  59  -5.557  10.600   2.093
  573   1HZ   LYS  59          1HZ       LYS  59  -6.713  12.765   3.725
  574   2HZ   LYS  59          2HZ       LYS  59  -7.245  12.277   2.246
  575   3HZ   LYS  59          3HZ       LYS  59  -7.354  11.263   3.535
  576    QB   LYS  59           QB       LYS  59  -2.419  10.475   2.798
  577    QG   LYS  59           QG       LYS  59  -4.060   9.119   4.098
  578    QD   LYS  59           QD       LYS  59  -4.771  11.239   4.644
  579    QE   LYS  59           QE       LYS  59  -5.201  11.400   2.196
  580    QZ   LYS  59           QZ       LYS  59  -7.104  12.102   3.169
  581    H    CYS  60           HN       CYS  60   0.701   7.735   3.846
  582    HA   CYS  60           HA       CYS  60   2.301   9.270   2.056
  583   1HB   CYS  60          2HB       CYS  60   4.134   7.933   2.814
  584   2HB   CYS  60          3HB       CYS  60   3.027   8.221   4.146
  585    QB   CYS  60           QB       CYS  60   3.580   8.077   3.480
  586    H    ASN  61           HN       ASN  61   0.867   6.021   1.850
  587    HA   ASN  61           HA       ASN  61   2.160   5.410  -0.681
  588   1HB   ASN  61          2HB       ASN  61   0.926   3.356  -0.601
  589   2HB   ASN  61          3HB       ASN  61   1.619   3.650   0.996
  590   1HD2  ASN  61          2HD2      ASN  61  -2.092   2.611   1.114
  591   2HD2  ASN  61          1HD2      ASN  61  -0.688   1.917   0.315
  592    QB   ASN  61           QB       ASN  61   1.273   3.503   0.197
  593    QD2  ASN  61           QD2      ASN  61  -1.390   2.264   0.714
  594    OH   TYR  62           OH       TYR  62  -4.363  11.543  -6.346
  595    H    TYR  62           HN       TYR  62   0.905   7.885  -1.036
  596    HA   TYR  62           HA       TYR  62  -1.715   7.500  -2.212
  597   1HB   TYR  62          2HB       TYR  62  -0.676   9.832  -1.658
  598   2HB   TYR  62          3HB       TYR  62   0.322   9.492  -3.092
  599    HD1  TYR  62           HD2      TYR  62  -3.335   8.714  -2.974
  600    HD2  TYR  62           HD1      TYR  62  -0.240  11.349  -4.420
  601    HE1  TYR  62           HE2      TYR  62  -4.894   9.624  -4.643
  602    HE2  TYR  62           HE1      TYR  62  -1.842  12.331  -6.018
  603    HH   TYR  62           HH       TYR  62  -3.994  12.255  -6.873
  604    QB   TYR  62           QB       TYR  62  -0.177   9.662  -2.375
  605    QR   TYR  62           QR       TYR  62  -2.578  10.505  -4.514
   
  Start of MODEL          14
 Raw file had 605 H/Q atoms
  Start of MODEL   14
    1    NH1  ARG   1           NH2      ARG   1   0.378   5.711   6.644
    2    NH2  ARG   1           NH1      ARG   1   2.399   4.731   7.209
    3    H    ARG   1           HN       ARG   1  -3.561   4.685  12.788
    4    HA   ARG   1           HA       ARG   1  -2.953   6.258  11.019
    5   1HB   ARG   1          2HB       ARG   1  -1.638   4.178  11.258
    6   2HB   ARG   1          3HB       ARG   1  -2.769   3.314  10.257
    7   1HG   ARG   1          2HG       ARG   1  -0.962   3.648   8.936
    8   2HG   ARG   1          3HG       ARG   1  -2.115   4.805   8.298
    9   1HD   ARG   1          2HD       ARG   1  -0.757   6.625   8.981
   10   2HD   ARG   1          3HD       ARG   1  -0.278   5.811  10.463
   11    HE   ARG   1           HE       ARG   1   1.521   4.810   9.495
   12   1HH1  ARG   1          2HH2      ARG   1  -0.590   5.857   6.891
   13   2HH1  ARG   1          1HH2      ARG   1   0.765   6.217   5.848
   14   1HH2  ARG   1          2HH1      ARG   1   2.936   4.329   7.977
   15   2HH2  ARG   1          1HH1      ARG   1   2.708   4.550   6.255
   16    QB   ARG   1           QB       ARG   1  -2.204   3.746  10.758
   17    QG   ARG   1           QG       ARG   1  -1.539   4.227   8.617
   18    QD   ARG   1           QD       ARG   1  -0.517   6.218   9.722
   19    QH1  ARG   1           QH2      ARG   1   0.088   6.037   6.369
   20    QH2  ARG   1           QH1      ARG   1   2.822   4.440   7.116
   21    H    ILE   2           HN       ILE   2  -3.367   6.945   8.707
   22    HA   ILE   2           HA       ILE   2  -5.982   6.012   7.604
   23    HB   ILE   2           HB       ILE   2  -4.804   8.805   7.619
   24   1HG1  ILE   2          2HG1      ILE   2  -5.652   8.313   9.867
   25   2HG1  ILE   2          3HG1      ILE   2  -6.612   9.536   9.055
   26   1HG2  ILE   2          2HG2      ILE   2  -7.392   7.773   6.431
   27   2HG2  ILE   2          3HG2      ILE   2  -7.027   9.493   6.694
   28   3HG2  ILE   2          1HG2      ILE   2  -6.026   8.537   5.599
   29   1HD1  ILE   2          1HD1      ILE   2  -8.360   7.821   8.531
   30   2HD1  ILE   2          2HD1      ILE   2  -7.399   6.614   9.410
   31   3HD1  ILE   2          3HD1      ILE   2  -8.061   8.009  10.263
   32    QG1  ILE   2           QG1      ILE   2  -6.132   8.924   9.461
   33    QG2  ILE   2           QG2      ILE   2  -6.815   8.601   6.242
   34    QD1  ILE   2           QD1      ILE   2  -7.940   7.482   9.401
   35    H    CYS   3           HN       CYS   3  -5.871   5.499   5.429
   36    HA   CYS   3           HA       CYS   3  -3.516   6.282   3.822
   37   1HB   CYS   3          2HB       CYS   3  -3.981   3.471   4.835
   38   2HB   CYS   3          3HB       CYS   3  -3.141   3.750   3.304
   39    QB   CYS   3           QB       CYS   3  -3.561   3.610   4.069
   40    OH   TYR   4           OH       TYR   4  -6.092  11.726  -0.190
   41    H    TYR   4           HN       TYR   4  -3.619   5.476   1.599
   42    HA   TYR   4           HA       TYR   4  -6.367   5.801   0.587
   43   1HB   TYR   4          2HB       TYR   4  -3.618   6.026  -0.607
   44   2HB   TYR   4          3HB       TYR   4  -5.059   5.876  -1.596
   45    HD1  TYR   4           HD2      TYR   4  -4.155   7.960   1.469
   46    HD2  TYR   4           HD1      TYR   4  -5.643   7.925  -2.569
   47    HE1  TYR   4           HE2      TYR   4  -4.929  10.301   1.707
   48    HE2  TYR   4           HE1      TYR   4  -6.262  10.288  -2.376
   49    HH   TYR   4           HH       TYR   4  -5.816  12.160   0.618
   50    QB   TYR   4           QB       TYR   4  -4.339   5.951  -1.102
   51    QR   TYR   4           QR       TYR   4  -5.247   9.118  -0.442
   52    H    ASN   5           HN       ASN   5  -7.400   4.272  -0.632
   53    HA   ASN   5           HA       ASN   5  -6.124   1.537  -0.875
   54   1HB   ASN   5          2HB       ASN   5  -8.281   0.534  -0.363
   55   2HB   ASN   5          3HB       ASN   5  -7.672   1.504   0.968
   56   1HD2  ASN   5          2HD2      ASN   5 -10.384   3.709   1.097
   57   2HD2  ASN   5          1HD2      ASN   5  -8.746   3.352   1.583
   58    QB   ASN   5           QB       ASN   5  -7.976   1.019   0.303
   59    QD2  ASN   5           QD2      ASN   5  -9.565   3.530   1.340
   60    H    HIS   6           HN       HIS   6  -7.161   4.032  -2.810
   61    HA   HIS   6           HA       HIS   6  -8.988   2.633  -4.504
   62   1HB   HIS   6          2HB       HIS   6  -8.632   4.387  -6.166
   63   2HB   HIS   6          3HB       HIS   6  -8.952   5.009  -4.566
   64    HD1  HIS   6           HD1      HIS   6  -6.085   4.671  -7.132
   65    HD2  HIS   6           HD2      HIS   6  -6.848   6.210  -3.273
   66    HE1  HIS   6           HE1      HIS   6  -4.024   6.280  -6.402
   67    HE2  HIS   6           HE2      HIS   6  -4.523   7.000  -4.126
   68    QB   HIS   6           QB       HIS   6  -8.792   4.698  -5.366
   69    H    GLN   7           HN       GLN   7  -8.796   1.723  -6.477
   70    HA   GLN   7           HA       GLN   7  -6.389   0.236  -7.059
   71   1HB   GLN   7          2HB       GLN   7  -9.212   0.321  -7.887
   72   2HB   GLN   7          3HB       GLN   7  -8.208   0.219  -9.304
   73   1HG   GLN   7          2HG       GLN   7  -7.966  -1.625  -6.880
   74   2HG   GLN   7          3HG       GLN   7  -8.896  -1.992  -8.339
   75   1HE2  GLN   7          2HE2      GLN   7  -5.260  -3.320  -8.462
   76   2HE2  GLN   7          1HE2      GLN   7  -6.342  -3.245  -7.078
   77    QB   GLN   7           QB       GLN   7  -8.710   0.270  -8.595
   78    QG   GLN   7           QG       GLN   7  -8.431  -1.808  -7.610
   79    QE2  GLN   7           QE2      GLN   7  -5.801  -3.283  -7.770
   80    H    SER   8           HN       SER   8  -5.863   0.268  -9.575
   81    HA   SER   8           HA       SER   8  -4.721   2.672 -10.534
   82   1HB   SER   8          2HB       SER   8  -5.968   0.778 -12.498
   83   2HB   SER   8          3HB       SER   8  -4.337   1.451 -12.459
   84    HG   SER   8           HG       SER   8  -5.416  -0.749 -11.004
   85    QB   SER   8           QB       SER   8  -5.152   1.115 -12.479
   86    H    THR   9           HN       THR   9  -5.634   4.342 -11.757
   87    HA   THR   9           HA       THR   9  -7.147   5.604 -12.885
   88    HB   THR   9           HB       THR   9  -8.064   2.902 -13.925
   89    HG1  THR   9          1HG       THR   9  -5.554   4.103 -14.476
   90   1HG2  THR   9          1HG2      THR   9  -7.260   5.490 -15.353
   91   2HG2  THR   9          2HG2      THR   9  -7.736   3.968 -16.135
   92   3HG2  THR   9          3HG2      THR   9  -8.911   4.869 -15.172
   93    QG2  THR   9           QG2      THR   9  -7.969   4.776 -15.554
   94    H    THR  10           HN       THR  10  -8.217   4.819 -10.248
   95    HA   THR  10           HA       THR  10 -11.145   5.016 -10.804
   96    HB   THR  10           HB       THR  10 -11.279   3.610  -8.601
   97    HG1  THR  10          1HG       THR  10  -8.792   2.733  -9.634
   98   1HG2  THR  10          2HG2      THR  10 -10.411   2.352 -11.237
   99   2HG2  THR  10          3HG2      THR  10 -11.210   1.497  -9.904
  100   3HG2  THR  10          1HG2      THR  10 -12.073   2.771 -10.789
  101    QG2  THR  10           QG2      THR  10 -11.231   2.207 -10.644
  102    NH1  ARG  11           NH2      ARG  11 -13.315  12.073  -9.609
  103    NH2  ARG  11           NH1      ARG  11 -14.758  10.773 -10.878
  104    H    ARG  11           HN       ARG  11 -12.357   5.855  -8.965
  105    HA   ARG  11           HA       ARG  11 -11.437   8.390  -8.298
  106   1HB   ARG  11          2HB       ARG  11 -13.826   7.508  -8.284
  107   2HB   ARG  11          3HB       ARG  11 -13.467   6.743  -6.736
  108   1HG   ARG  11          2HG       ARG  11 -14.650   8.800  -6.342
  109   2HG   ARG  11          3HG       ARG  11 -13.016   8.965  -5.717
  110   1HD   ARG  11          2HD       ARG  11 -13.827  10.994  -6.876
  111   2HD   ARG  11          3HD       ARG  11 -12.369  10.343  -7.638
  112    HE   ARG  11           HE       ARG  11 -14.785   9.304  -8.847
  113   1HH1  ARG  11          2HH2      ARG  11 -12.828  12.231  -8.740
  114   2HH1  ARG  11          1HH2      ARG  11 -13.229  12.759 -10.345
  115   1HH2  ARG  11          2HH1      ARG  11 -15.332   9.948 -10.989
  116   2HH2  ARG  11          1HH1      ARG  11 -14.714  11.424 -11.648
  117    QB   ARG  11           QB       ARG  11 -13.647   7.126  -7.510
  118    QG   ARG  11           QG       ARG  11 -13.833   8.883  -6.030
  119    QD   ARG  11           QD       ARG  11 -13.098  10.669  -7.257
  120    QH1  ARG  11           QH2      ARG  11 -13.029  12.495  -9.543
  121    QH2  ARG  11           QH1      ARG  11 -15.023  10.686 -11.318
  122    H    ALA  12           HN       ALA  12 -10.285   9.253  -6.590
  123    HA   ALA  12           HA       ALA  12  -8.610   7.638  -4.987
  124   1HB   ALA  12          1HB       ALA  12  -9.536  10.514  -4.639
  125   2HB   ALA  12          2HB       ALA  12  -8.217   9.755  -3.726
  126   3HB   ALA  12          3HB       ALA  12  -8.071   9.961  -5.483
  127    QB   ALA  12           QB       ALA  12  -8.608  10.077  -4.616
  128    H    THR  13           HN       THR  13  -9.095   6.436  -3.176
  129    HA   THR  13           HA       THR  13 -11.297   7.287  -1.390
  130    HB   THR  13           HB       THR  13 -11.632   4.844  -0.978
  131    HG1  THR  13          1HG       THR  13 -10.620   3.392  -2.212
  132   1HG2  THR  13          2HG2      THR  13 -13.171   6.158  -2.487
  133   2HG2  THR  13          3HG2      THR  13 -12.170   5.687  -3.872
  134   3HG2  THR  13          1HG2      THR  13 -13.035   4.447  -2.947
  135    QG2  THR  13           QG2      THR  13 -12.792   5.430  -3.102
  136    H    THR  14           HN       THR  14 -10.808   7.185   0.732
  137    HA   THR  14           HA       THR  14  -8.132   6.294   1.613
  138    HB   THR  14           HB       THR  14  -8.856   7.874   3.590
  139    HG1  THR  14          1HG       THR  14 -10.316   9.497   2.835
  140   1HG2  THR  14          3HG2      THR  14  -8.168   8.992   0.832
  141   2HG2  THR  14          1HG2      THR  14  -7.992   9.862   2.371
  142   3HG2  THR  14          2HG2      THR  14  -7.034   8.404   2.068
  143    QG2  THR  14           QG2      THR  14  -7.731   9.086   1.757
  144    H    LYS  15           HN       LYS  15  -8.106   5.314   3.802
  145    HA   LYS  15           HA       LYS  15 -10.605   4.670   5.058
  146   1HB   LYS  15          2HB       LYS  15 -10.080   2.819   3.265
  147   2HB   LYS  15          3HB       LYS  15  -8.885   2.244   4.413
  148   1HG   LYS  15          2HG       LYS  15 -11.651   2.690   5.491
  149   2HG   LYS  15          3HG       LYS  15 -11.610   1.621   4.108
  150   1HD   LYS  15          2HD       LYS  15 -10.161   1.171   6.739
  151   2HD   LYS  15          3HD       LYS  15 -11.550   0.304   6.081
  152   1HE   LYS  15          2HE       LYS  15 -10.182  -1.171   5.065
  153   2HE   LYS  15          3HE       LYS  15  -9.535   0.111   4.064
  154   1HZ   LYS  15          1HZ       LYS  15  -8.020   0.568   6.075
  155   2HZ   LYS  15          2HZ       LYS  15  -8.461  -0.911   6.601
  156   3HZ   LYS  15          3HZ       LYS  15  -7.708  -0.740   5.145
  157    QB   LYS  15           QB       LYS  15  -9.483   2.531   3.839
  158    QG   LYS  15           QG       LYS  15 -11.631   2.155   4.800
  159    QD   LYS  15           QD       LYS  15 -10.855   0.738   6.410
  160    QE   LYS  15           QE       LYS  15  -9.859  -0.530   4.564
  161    QZ   LYS  15           QZ       LYS  15  -8.063  -0.361   5.941
  162    H    SER  16           HN       SER  16 -10.013   3.305   7.047
  163    HA   SER  16           HA       SER  16  -7.767   4.547   8.439
  164   1HB   SER  16          2HB       SER  16  -9.936   4.070   9.566
  165   2HB   SER  16          3HB       SER  16  -9.652   2.329   9.347
  166    HG   SER  16           HG       SER  16  -8.974   3.029  11.403
  167    QB   SER  16           QB       SER  16  -9.794   3.199   9.456
  168    H    CYS  17           HN       CYS  17  -6.253   3.106   9.683
  169    HA   CYS  17           HA       CYS  17  -5.556   0.462   8.650
  170   1HB   CYS  17          2HB       CYS  17  -4.325   1.713   7.032
  171   2HB   CYS  17          3HB       CYS  17  -3.876   2.928   8.212
  172    QB   CYS  17           QB       CYS  17  -4.101   2.320   7.622
  173    H    GLU  20           HN       GLU  20  -4.417  -0.662  10.250
  174    HA   GLU  20           HA       GLU  20  -4.316   0.611  12.896
  175   1HB   GLU  20          2HB       GLU  20  -3.955  -1.672  13.703
  176   2HB   GLU  20          3HB       GLU  20  -5.401  -1.482  12.715
  177   1HG   GLU  20          2HG       GLU  20  -3.888  -2.450  10.752
  178   2HG   GLU  20          3HG       GLU  20  -2.895  -3.027  12.101
  179    QB   GLU  20           QB       GLU  20  -4.678  -1.577  13.209
  180    QG   GLU  20           QG       GLU  20  -3.392  -2.738  11.427
  181    H    GLU  21           HN       GLU  21  -2.019  -1.300  10.894
  182    HA   GLU  21           HA       GLU  21   0.233  -0.887  12.415
  183   1HB   GLU  21          2HB       GLU  21   0.042  -1.146   9.397
  184   2HB   GLU  21          3HB       GLU  21   1.537  -1.319  10.320
  185   1HG   GLU  21          2HG       GLU  21   0.492  -3.162  11.636
  186   2HG   GLU  21          3HG       GLU  21  -0.903  -3.120  10.534
  187    QB   GLU  21           QB       GLU  21   0.790  -1.233   9.859
  188    QG   GLU  21           QG       GLU  21  -0.206  -3.141  11.085
  189    H    ASN  22           HN       ASN  22   2.130   0.307  12.096
  190    HA   ASN  22           HA       ASN  22   1.752   3.158  11.820
  191   1HB   ASN  22          2HB       ASN  22   3.362   2.243  13.409
  192   2HB   ASN  22          3HB       ASN  22   4.245   1.444  12.102
  193   1HD2  ASN  22          2HD2      ASN  22   4.596   5.552  11.956
  194   2HD2  ASN  22          1HD2      ASN  22   2.989   4.854  11.968
  195    QB   ASN  22           QB       ASN  22   3.804   1.844  12.755
  196    QD2  ASN  22           QD2      ASN  22   3.793   5.203  11.962
  197    H    SER  23           HN       SER  23   2.580   0.545   9.541
  198    HA   SER  23           HA       SER  23   3.724   2.412   7.564
  199   1HB   SER  23          2HB       SER  23   4.048  -0.064   6.560
  200   2HB   SER  23          3HB       SER  23   5.152   0.655   7.722
  201    HG   SER  23           HG       SER  23   4.382  -1.497   8.356
  202    QB   SER  23           QB       SER  23   4.600   0.296   7.141
  203    H    CYS  24           HN       CYS  24   3.090   2.156   5.433
  204    HA   CYS  24           HA       CYS  24   0.681   0.576   4.816
  205   1HB   CYS  24          2HB       CYS  24   0.870   3.555   4.281
  206   2HB   CYS  24          3HB       CYS  24  -0.219   2.496   3.377
  207    QB   CYS  24           QB       CYS  24   0.326   3.026   3.829
  208    OH   TYR  25           OH       TYR  25  -1.741  -5.089   0.252
  209    H    TYR  25           HN       TYR  25   0.417   0.451   2.367
  210    HA   TYR  25           HA       TYR  25   3.022   0.650   1.020
  211   1HB   TYR  25          2HB       TYR  25   3.307  -1.657   0.676
  212   2HB   TYR  25          3HB       TYR  25   2.823  -1.562   2.353
  213    HD1  TYR  25           HD2      TYR  25   0.328  -2.004   2.896
  214    HD2  TYR  25           HD1      TYR  25   2.171  -3.070  -0.845
  215    HE1  TYR  25           HE2      TYR  25  -1.501  -3.626   2.452
  216    HE2  TYR  25           HE1      TYR  25   0.302  -4.641  -1.306
  217    HH   TYR  25           HH       TYR  25  -2.451  -5.062   0.897
  218    QB   TYR  25           QB       TYR  25   3.065  -1.609   1.515
  219    QR   TYR  25           QR       TYR  25   0.325  -3.335   0.799
  220    H    LYS  26           HN       LYS  26   3.036  -0.270  -1.077
  221    HA   LYS  26           HA       LYS  26   0.614   0.127  -2.713
  222   1HB   LYS  26          2HB       LYS  26   2.794   1.959  -2.404
  223   2HB   LYS  26          3HB       LYS  26   3.097   1.149  -3.932
  224   1HG   LYS  26          2HG       LYS  26   0.431   2.382  -3.125
  225   2HG   LYS  26          3HG       LYS  26   1.681   3.308  -3.960
  226   1HD   LYS  26          2HD       LYS  26   0.628   0.681  -5.069
  227   2HD   LYS  26          3HD       LYS  26  -0.238   2.174  -5.362
  228   1HE   LYS  26          2HE       LYS  26   2.703   1.741  -6.080
  229   2HE   LYS  26          3HE       LYS  26   1.381   1.331  -7.166
  230   1HZ   LYS  26          2HZ       LYS  26   1.901   4.033  -6.113
  231   2HZ   LYS  26          3HZ       LYS  26   2.348   3.491  -7.596
  232   3HZ   LYS  26          1HZ       LYS  26   0.758   3.623  -7.225
  233    QB   LYS  26           QB       LYS  26   2.945   1.554  -3.168
  234    QG   LYS  26           QG       LYS  26   1.056   2.845  -3.542
  235    QD   LYS  26           QD       LYS  26   0.195   1.428  -5.216
  236    QE   LYS  26           QE       LYS  26   2.042   1.536  -6.623
  237    QZ   LYS  26           QZ       LYS  26   1.669   3.716  -6.978
  238    H    LYS  27           HN       LYS  27   0.473  -1.515  -4.181
  239    HA   LYS  27           HA       LYS  27   2.786  -3.326  -4.710
  240   1HB   LYS  27          2HB       LYS  27   1.294  -4.528  -3.314
  241   2HB   LYS  27          3HB       LYS  27  -0.149  -3.915  -4.144
  242   1HG   LYS  27          2HG       LYS  27   0.404  -5.202  -6.142
  243   2HG   LYS  27          3HG       LYS  27   1.928  -5.735  -5.410
  244   1HD   LYS  27          2HD       LYS  27   0.873  -7.479  -4.403
  245   2HD   LYS  27          3HD       LYS  27  -0.188  -6.363  -3.559
  246   1HE   LYS  27          2HE       LYS  27  -1.559  -7.929  -4.748
  247   2HE   LYS  27          3HE       LYS  27  -1.758  -6.337  -5.482
  248   1HZ   LYS  27          2HZ       LYS  27  -0.230  -7.046  -7.222
  249   2HZ   LYS  27          3HZ       LYS  27  -0.084  -8.535  -6.538
  250   3HZ   LYS  27          1HZ       LYS  27  -1.531  -8.031  -7.138
  251    QB   LYS  27           QB       LYS  27   0.573  -4.222  -3.729
  252    QG   LYS  27           QG       LYS  27   1.166  -5.468  -5.776
  253    QD   LYS  27           QD       LYS  27   0.342  -6.921  -3.981
  254    QE   LYS  27           QE       LYS  27  -1.658  -7.133  -5.115
  255    QZ   LYS  27           QZ       LYS  27  -0.615  -7.871  -6.966
  256    OH   TYR  28           OH       TYR  28   7.547  -0.001  -6.180
  257    H    TYR  28           HN       TYR  28   3.141  -3.620  -6.995
  258    HA   TYR  28           HA       TYR  28   1.033  -2.722  -8.825
  259   1HB   TYR  28          2HB       TYR  28   2.855  -1.270  -9.881
  260   2HB   TYR  28          3HB       TYR  28   1.969  -0.667  -8.486
  261    HD1  TYR  28           HD1      TYR  28   3.053  -0.588  -6.221
  262    HD2  TYR  28           HD2      TYR  28   5.266  -1.592  -9.785
  263    HE1  TYR  28           HE1      TYR  28   5.162  -0.007  -5.072
  264    HE2  TYR  28           HE2      TYR  28   7.365  -0.941  -8.655
  265    HH   TYR  28           HH       TYR  28   8.312  -0.044  -6.756
  266    QB   TYR  28           QB       TYR  28   2.412  -0.969  -9.184
  267    QR   TYR  28           QR       TYR  28   5.212  -0.782  -7.433
  268    CH2  TRP  29           CH2      TRP  29  -2.880  -5.873  -8.669
  269    H    TRP  29           HN       TRP  29   1.134  -3.617 -10.842
  270    HA   TRP  29           HA       TRP  29   3.504  -5.089 -11.699
  271   1HB   TRP  29          2HB       TRP  29   2.359  -7.159 -12.000
  272   2HB   TRP  29          3HB       TRP  29   2.320  -6.736 -10.303
  273    HD1  TRP  29           HD1      TRP  29   0.176  -7.950 -13.023
  274    HE1  TRP  29           HE1      TRP  29  -2.256  -8.089 -12.294
  275    HE3  TRP  29           HE3      TRP  29   0.432  -5.095  -8.766
  276    HZ2  TRP  29           HZ2      TRP  29  -3.896  -7.158 -10.077
  277    HZ3  TRP  29           HZ3      TRP  29  -1.604  -4.565  -7.517
  278    HH2  TRP  29           HH2      TRP  29  -3.763  -5.684  -8.075
  279    QB   TRP  29           QB       TRP  29   2.339  -6.948 -11.152
  280    NH1  ARG  30           NH2      ARG  30   6.032  -3.825 -18.269
  281    NH2  ARG  30           NH1      ARG  30   6.136  -3.004 -20.434
  282    H    ARG  30           HN       ARG  30   2.789  -6.184 -13.950
  283    HA   ARG  30           HA       ARG  30   1.046  -4.383 -15.484
  284   1HB   ARG  30          2HB       ARG  30   3.272  -3.319 -15.350
  285   2HB   ARG  30          3HB       ARG  30   4.028  -4.758 -16.037
  286   1HG   ARG  30          2HG       ARG  30   1.850  -3.213 -17.508
  287   2HG   ARG  30          3HG       ARG  30   3.492  -2.616 -17.468
  288   1HD   ARG  30          2HD       ARG  30   3.728  -5.377 -18.235
  289   2HD   ARG  30          3HD       ARG  30   2.344  -4.737 -19.107
  290    HE   ARG  30           HE       ARG  30   3.660  -3.537 -20.444
  291   1HH1  ARG  30          2HH2      ARG  30   5.472  -4.190 -17.514
  292   2HH1  ARG  30          1HH2      ARG  30   7.017  -3.672 -18.116
  293   1HH2  ARG  30          2HH1      ARG  30   5.690  -2.785 -21.313
  294   2HH2  ARG  30          1HH1      ARG  30   7.123  -2.813 -20.342
  295    QB   ARG  30           QB       ARG  30   3.650  -4.038 -15.694
  296    QG   ARG  30           QG       ARG  30   2.671  -2.914 -17.488
  297    QD   ARG  30           QD       ARG  30   3.036  -5.057 -18.671
  298    QH1  ARG  30           QH2      ARG  30   6.244  -3.931 -17.815
  299    QH2  ARG  30           QH1      ARG  30   6.407  -2.799 -20.827
  300    H    ASP  31           HN       ASP  31   0.635  -5.223 -17.522
  301    HA   ASP  31           HA       ASP  31   1.433  -7.959 -18.255
  302   1HB   ASP  31          2HB       ASP  31  -0.297  -8.693 -16.806
  303   2HB   ASP  31          3HB       ASP  31  -1.334  -7.309 -17.158
  304    QB   ASP  31           QB       ASP  31  -0.816  -8.001 -16.982
  305    H    HIS  32           HN       HIS  32  -1.499  -6.201 -18.846
  306    HA   HIS  32           HA       HIS  32  -1.198  -6.301 -21.657
  307   1HB   HIS  32          2HB       HIS  32  -3.280  -6.151 -19.890
  308   2HB   HIS  32          3HB       HIS  32  -3.254  -4.481 -20.395
  309    HD1  HIS  32           HD1      HIS  32  -3.348  -8.041 -21.911
  310    HD2  HIS  32           HD2      HIS  32  -4.800  -4.124 -22.549
  311    HE1  HIS  32           HE1      HIS  32  -4.944  -8.158 -23.950
  312    HE2  HIS  32           HE2      HIS  32  -5.814  -5.766 -24.314
  313    QB   HIS  32           QB       HIS  32  -3.267  -5.316 -20.143
  314    NH1  ARG  33           NH2      ARG  33   2.444  -2.503 -26.853
  315    NH2  ARG  33           NH1      ARG  33   1.586  -4.243 -28.128
  316    H    ARG  33           HN       ARG  33  -2.348  -3.720 -22.340
  317    HA   ARG  33           HA       ARG  33   0.027  -1.982 -22.419
  318   1HB   ARG  33          2HB       ARG  33  -2.798  -1.578 -23.495
  319   2HB   ARG  33          3HB       ARG  33  -1.394  -0.577 -23.862
  320   1HG   ARG  33          2HG       ARG  33  -1.674  -3.525 -24.626
  321   2HG   ARG  33          3HG       ARG  33  -2.036  -2.152 -25.678
  322   1HD   ARG  33          2HD       ARG  33   0.250  -1.367 -25.588
  323   2HD   ARG  33          3HD       ARG  33   0.708  -2.678 -24.469
  324    HE   ARG  33           HE       ARG  33  -0.433  -3.952 -26.659
  325   1HH1  ARG  33          2HH2      ARG  33   2.326  -1.839 -26.102
  326   2HH1  ARG  33          1HH2      ARG  33   3.307  -2.495 -27.376
  327   1HH2  ARG  33          2HH1      ARG  33   0.842  -4.890 -28.346
  328   2HH2  ARG  33          1HH1      ARG  33   2.433  -4.295 -28.675
  329    QB   ARG  33           QB       ARG  33  -2.096  -1.077 -23.678
  330    QG   ARG  33           QG       ARG  33  -1.855  -2.838 -25.152
  331    QD   ARG  33           QD       ARG  33   0.479  -2.023 -25.029
  332    QH1  ARG  33           QH2      ARG  33   2.816  -2.167 -26.739
  333    QH2  ARG  33           QH1      ARG  33   1.637  -4.593 -28.510
  334    H    GLY  34           HN       GLY  34  -0.716  -2.512 -19.824
  335   1HA   GLY  34          1HA       GLY  34  -1.172   0.100 -18.764
  336   2HA   GLY  34          2HA       GLY  34  -2.609  -0.924 -18.524
  337    QA   GLY  34           QA       GLY  34  -1.891  -0.412 -18.644
  338    H    THR  35           HN       THR  35  -0.958   0.113 -16.505
  339    HA   THR  35           HA       THR  35   0.432  -2.238 -15.309
  340    HB   THR  35           HB       THR  35   0.772   0.707 -14.752
  341    HG1  THR  35          1HG       THR  35   2.598   0.568 -16.039
  342   1HG2  THR  35          2HG2      THR  35   1.469  -0.827 -12.883
  343   2HG2  THR  35          3HG2      THR  35   2.558  -1.655 -14.005
  344   3HG2  THR  35          1HG2      THR  35   2.839   0.046 -13.599
  345    QG2  THR  35           QG2      THR  35   2.289  -0.812 -13.495
  346    H    ILE  36           HN       ILE  36  -0.526  -3.002 -13.412
  347    HA   ILE  36           HA       ILE  36  -3.007  -1.633 -12.553
  348    HB   ILE  36           HB       ILE  36  -2.019  -4.423 -11.892
  349   1HG1  ILE  36          2HG1      ILE  36  -4.091  -5.055 -13.259
  350   2HG1  ILE  36          3HG1      ILE  36  -4.069  -3.425 -13.929
  351   1HG2  ILE  36          1HG2      ILE  36  -4.647  -2.969 -11.355
  352   2HG2  ILE  36          2HG2      ILE  36  -4.370  -4.683 -11.042
  353   3HG2  ILE  36          3HG2      ILE  36  -3.462  -3.473 -10.133
  354   1HD1  ILE  36          3HD1      ILE  36  -1.677  -5.328 -14.077
  355   2HD1  ILE  36          1HD1      ILE  36  -2.997  -5.350 -15.262
  356   3HD1  ILE  36          2HD1      ILE  36  -2.001  -3.901 -15.098
  357    QG1  ILE  36           QG1      ILE  36  -4.080  -4.240 -13.594
  358    QG2  ILE  36           QG2      ILE  36  -4.160  -3.708 -10.843
  359    QD1  ILE  36           QD1      ILE  36  -2.225  -4.860 -14.813
  360    H    ILE  37           HN       ILE  37  -3.080  -0.644 -10.631
  361    HA   ILE  37           HA       ILE  37  -0.744  -0.648  -8.777
  362    HB   ILE  37           HB       ILE  37  -2.604   1.477  -9.886
  363   1HG1  ILE  37          2HG1      ILE  37  -0.539   2.853  -9.849
  364   2HG1  ILE  37          3HG1      ILE  37   0.364   1.484  -9.192
  365   1HG2  ILE  37          1HG2      ILE  37  -1.259   1.607  -7.187
  366   2HG2  ILE  37          2HG2      ILE  37  -1.911   3.006  -8.078
  367   3HG2  ILE  37          3HG2      ILE  37  -3.003   1.744  -7.506
  368   1HD1  ILE  37          2HD1      ILE  37  -1.086   1.415 -11.866
  369   2HD1  ILE  37          3HD1      ILE  37   0.615   1.888 -11.668
  370   3HD1  ILE  37          1HD1      ILE  37   0.115   0.253 -11.239
  371    QG1  ILE  37           QG1      ILE  37  -0.088   2.169  -9.521
  372    QG2  ILE  37           QG2      ILE  37  -2.058   2.119  -7.591
  373    QD1  ILE  37           QD1      ILE  37  -0.119   1.185 -11.591
  374    H    GLU  38           HN       GLU  38  -1.232  -1.386  -6.742
  375    HA   GLU  38           HA       GLU  38  -3.985  -1.202  -5.763
  376   1HB   GLU  38          2HB       GLU  38  -3.575  -3.534  -6.658
  377   2HB   GLU  38          3HB       GLU  38  -2.193  -3.689  -5.541
  378   1HG   GLU  38          2HG       GLU  38  -4.320  -4.842  -4.802
  379   2HG   GLU  38          3HG       GLU  38  -3.686  -3.679  -3.636
  380    QB   GLU  38           QB       GLU  38  -2.884  -3.611  -6.100
  381    QG   GLU  38           QG       GLU  38  -4.003  -4.261  -4.219
  382    NH1  ARG  39           NH2      ARG  39  -2.535   3.843  -5.612
  383    NH2  ARG  39           NH1      ARG  39  -0.818   4.766  -4.375
  384    H    ARG  39           HN       ARG  39  -3.996  -1.360  -3.317
  385    HA   ARG  39           HA       ARG  39  -1.446  -0.356  -2.148
  386   1HB   ARG  39          2HB       ARG  39  -4.077   0.896  -1.494
  387   2HB   ARG  39          3HB       ARG  39  -2.452   1.557  -1.540
  388   1HG   ARG  39          2HG       ARG  39  -2.655   1.483  -4.111
  389   2HG   ARG  39          3HG       ARG  39  -4.365   1.071  -3.851
  390   1HD   ARG  39          2HD       ARG  39  -4.569   3.414  -3.919
  391   2HD   ARG  39          3HD       ARG  39  -4.287   3.179  -2.220
  392    HE   ARG  39           HE       ARG  39  -2.467   4.580  -2.544
  393   1HH1  ARG  39          2HH2      ARG  39  -3.387   3.294  -5.641
  394   2HH1  ARG  39          1HH2      ARG  39  -2.097   4.138  -6.469
  395   1HH2  ARG  39          2HH1      ARG  39  -0.512   4.860  -3.409
  396   2HH2  ARG  39          1HH1      ARG  39  -0.851   5.703  -4.798
  397    QB   ARG  39           QB       ARG  39  -3.264   1.227  -1.517
  398    QG   ARG  39           QG       ARG  39  -3.510   1.277  -3.981
  399    QD   ARG  39           QD       ARG  39  -4.428   3.296  -3.070
  400    QH1  ARG  39           QH2      ARG  39  -2.742   3.716  -6.055
  401    QH2  ARG  39           QH1      ARG  39  -0.681   5.282  -4.104
  402    H    GLY  40           HN       GLY  40  -1.648  -0.066   0.300
  403   1HA   GLY  40          1HA       GLY  40  -4.001  -0.394   1.543
  404   2HA   GLY  40          2HA       GLY  40  -3.397  -2.052   1.609
  405    QA   GLY  40           QA       GLY  40  -3.699  -1.223   1.576
  406    H    CYS  41           HN       CYS  41  -3.153  -2.065   3.839
  407    HA   CYS  41           HA       CYS  41  -1.464  -0.010   5.153
  408   1HB   CYS  41          2HB       CYS  41  -3.409   0.007   6.048
  409   2HB   CYS  41          3HB       CYS  41  -3.771  -1.745   6.003
  410    QB   CYS  41           QB       CYS  41  -3.590  -0.869   6.025
  411    H    GLY  42           HN       GLY  42  -0.222  -0.657   6.905
  412   1HA   GLY  42          1HA       GLY  42   1.465  -1.982   7.919
  413   2HA   GLY  42          2HA       GLY  42   0.769  -3.398   7.090
  414    QA   GLY  42           QA       GLY  42   1.117  -2.690   7.505
  415    H    CYS  43           HN       CYS  43   2.977  -4.065   6.740
  416    HA   CYS  43           HA       CYS  43   3.787  -3.174   4.025
  417   1HB   CYS  43          2HB       CYS  43   5.284  -1.973   5.587
  418   2HB   CYS  43          3HB       CYS  43   5.807  -3.526   6.262
  419    QB   CYS  43           QB       CYS  43   5.545  -2.749   5.925
  420    HA   PRO  44           HA       PRO  44   3.559  -7.753   4.645
  421   1HB   PRO  44          2HB       PRO  44   1.617  -8.427   2.867
  422   2HB   PRO  44          3HB       PRO  44   1.236  -7.703   4.454
  423   1HG   PRO  44          2HG       PRO  44   1.445  -6.293   1.780
  424   2HG   PRO  44          3HG       PRO  44   0.130  -6.170   2.984
  425   1HD   PRO  44          2HD       PRO  44   2.212  -4.367   2.826
  426   2HD   PRO  44          3HD       PRO  44   1.407  -4.772   4.368
  427    QB   PRO  44           QB       PRO  44   1.426  -8.065   3.660
  428    QG   PRO  44           QG       PRO  44   0.788  -6.231   2.382
  429    QD   PRO  44           QD       PRO  44   1.810  -4.569   3.597
  430    H    LYS  45           HN       LYS  45   4.071  -9.499   3.120
  431    HA   LYS  45           HA       LYS  45   5.919  -8.682   0.998
  432   1HB   LYS  45          2HB       LYS  45   6.571 -10.499   2.405
  433   2HB   LYS  45          3HB       LYS  45   5.043 -11.359   2.115
  434   1HG   LYS  45          2HG       LYS  45   5.593 -11.859  -0.108
  435   2HG   LYS  45          3HG       LYS  45   7.032 -10.783  -0.086
  436   1HD   LYS  45          2HD       LYS  45   8.254 -12.296   1.272
  437   2HD   LYS  45          3HD       LYS  45   6.796 -13.188   1.737
  438   1HE   LYS  45          2HE       LYS  45   8.231 -14.378   0.016
  439   2HE   LYS  45          3HE       LYS  45   6.530 -14.178  -0.410
  440   1HZ   LYS  45          3HZ       LYS  45   7.117 -12.326  -1.811
  441   2HZ   LYS  45          1HZ       LYS  45   8.726 -12.497  -1.431
  442   3HZ   LYS  45          2HZ       LYS  45   7.921 -13.663  -2.259
  443    QB   LYS  45           QB       LYS  45   5.807 -10.929   2.260
  444    QG   LYS  45           QG       LYS  45   6.313 -11.321  -0.097
  445    QD   LYS  45           QD       LYS  45   7.525 -12.742   1.504
  446    QE   LYS  45           QE       LYS  45   7.381 -14.278  -0.197
  447    QZ   LYS  45           QZ       LYS  45   7.921 -12.828  -1.834
  448    H    VAL  46           HN       VAL  46   5.758  -9.652  -1.109
  449    HA   VAL  46           HA       VAL  46   3.033 -10.204  -2.169
  450    HB   VAL  46           HB       VAL  46   3.636  -8.930  -4.207
  451   1HG1  VAL  46          3HG1      VAL  46   2.270  -7.906  -2.410
  452   2HG1  VAL  46          1HG1      VAL  46   3.733  -7.260  -1.656
  453   3HG1  VAL  46          2HG1      VAL  46   3.251  -6.701  -3.267
  454   1HG2  VAL  46          1HG2      VAL  46   6.156  -9.010  -3.907
  455   2HG2  VAL  46          2HG2      VAL  46   5.505  -7.417  -4.280
  456   3HG2  VAL  46          3HG2      VAL  46   5.978  -7.810  -2.615
  457    QG1  VAL  46           QG1      VAL  46   3.084  -7.289  -2.444
  458    QG2  VAL  46           QG2      VAL  46   5.880  -8.079  -3.601
  459    QQG  VAL  46           QQG      VAL  46   4.482  -7.684  -3.023
  460    H    LYS  47           HN       LYS  47   3.240 -11.133  -4.418
  461    HA   LYS  47           HA       LYS  47   4.915 -13.505  -4.476
  462   1HB   LYS  47          2HB       LYS  47   2.729 -12.294  -6.070
  463   2HB   LYS  47          3HB       LYS  47   3.848 -13.096  -7.053
  464   1HG   LYS  47          2HG       LYS  47   2.162 -14.644  -6.572
  465   2HG   LYS  47          3HG       LYS  47   3.562 -15.180  -5.627
  466   1HD   LYS  47          2HD       LYS  47   2.565 -14.278  -3.565
  467   2HD   LYS  47          3HD       LYS  47   1.341 -13.411  -4.487
  468   1HE   LYS  47          2HE       LYS  47   0.510 -15.462  -3.304
  469   2HE   LYS  47          3HE       LYS  47   0.111 -15.350  -5.019
  470   1HZ   LYS  47          2HZ       LYS  47   2.361 -16.939  -3.976
  471   2HZ   LYS  47          3HZ       LYS  47   0.870 -17.548  -4.294
  472   3HZ   LYS  47          1HZ       LYS  47   1.775 -16.934  -5.515
  473    QB   LYS  47           QB       LYS  47   3.289 -12.695  -6.561
  474    QG   LYS  47           QG       LYS  47   2.862 -14.912  -6.100
  475    QD   LYS  47           QD       LYS  47   1.953 -13.845  -4.026
  476    QE   LYS  47           QE       LYS  47   0.310 -15.406  -4.161
  477    QZ   LYS  47           QZ       LYS  47   1.669 -17.140  -4.595
  478    HA   PRO  48           HA       PRO  48   8.231 -11.735  -6.905
  479   1HB   PRO  48          2HB       PRO  48   8.941 -13.671  -8.676
  480   2HB   PRO  48          3HB       PRO  48   9.137 -13.885  -6.914
  481   1HG   PRO  48          2HG       PRO  48   6.974 -14.973  -8.698
  482   2HG   PRO  48          3HG       PRO  48   7.805 -15.787  -7.344
  483   1HD   PRO  48          2HD       PRO  48   5.323 -14.508  -7.282
  484   2HD   PRO  48          3HD       PRO  48   6.235 -14.830  -5.804
  485    QB   PRO  48           QB       PRO  48   9.039 -13.778  -7.795
  486    QG   PRO  48           QG       PRO  48   7.390 -15.380  -8.021
  487    QD   PRO  48           QD       PRO  48   5.779 -14.669  -6.543
  488    H    GLY  49           HN       GLY  49   8.787 -10.917  -9.110
  489   1HA   GLY  49          1HA       GLY  49   8.269  -9.811 -11.020
  490   2HA   GLY  49          2HA       GLY  49   7.069 -11.070 -11.332
  491    QA   GLY  49           QA       GLY  49   7.669 -10.440 -11.176
  492    H    VAL  50           HN       VAL  50   6.845  -9.161  -8.398
  493    HA   VAL  50           HA       VAL  50   4.767  -7.337  -9.496
  494    HB   VAL  50           HB       VAL  50   4.604  -9.144  -7.038
  495   1HG1  VAL  50          3HG1      VAL  50   2.750  -6.881  -7.883
  496   2HG1  VAL  50          1HG1      VAL  50   2.390  -8.098  -6.636
  497   3HG1  VAL  50          2HG1      VAL  50   3.734  -6.976  -6.404
  498   1HG2  VAL  50          1HG2      VAL  50   2.864  -8.972  -9.538
  499   2HG2  VAL  50          2HG2      VAL  50   3.949 -10.300  -9.101
  500   3HG2  VAL  50          3HG2      VAL  50   2.523  -9.979  -8.117
  501    QG1  VAL  50           QG1      VAL  50   2.958  -7.318  -6.974
  502    QG2  VAL  50           QG2      VAL  50   3.112  -9.750  -8.919
  503    QQG  VAL  50           QQG      VAL  50   3.035  -8.534  -7.947
  504    H    GLY  51           HN       GLY  51   5.386  -5.248  -8.946
  505   1HA   GLY  51          1HA       GLY  51   7.618  -4.908  -7.210
  506   2HA   GLY  51          2HA       GLY  51   6.818  -3.611  -8.056
  507    QA   GLY  51           QA       GLY  51   7.218  -4.260  -7.633
  508    H    ILE  52           HN       ILE  52   7.509  -3.266  -5.534
  509    HA   ILE  52           HA       ILE  52   5.033  -2.943  -4.064
  510    HB   ILE  52           HB       ILE  52   5.501  -5.241  -3.622
  511   1HG1  ILE  52          2HG1      ILE  52   4.665  -3.636  -1.777
  512   2HG1  ILE  52          3HG1      ILE  52   5.063  -5.311  -1.427
  513   1HG2  ILE  52          2HG2      ILE  52   8.254  -4.432  -2.619
  514   2HG2  ILE  52          3HG2      ILE  52   7.506  -6.023  -2.390
  515   3HG2  ILE  52          1HG2      ILE  52   7.859  -5.448  -4.021
  516   1HD1  ILE  52          2HD1      ILE  52   6.928  -2.999  -0.782
  517   2HD1  ILE  52          3HD1      ILE  52   5.835  -3.839   0.329
  518   3HD1  ILE  52          1HD1      ILE  52   7.176  -4.715  -0.401
  519    QG1  ILE  52           QG1      ILE  52   4.864  -4.474  -1.602
  520    QG2  ILE  52           QG2      ILE  52   7.873  -5.301  -3.010
  521    QD1  ILE  52           QD1      ILE  52   6.646  -3.851  -0.285
  522    H    HIS  53           HN       HIS  53   5.191  -1.363  -2.458
  523    HA   HIS  53           HA       HIS  53   7.841  -0.471  -1.577
  524   1HB   HIS  53          2HB       HIS  53   7.282   0.860  -3.675
  525   2HB   HIS  53          3HB       HIS  53   5.880   1.504  -2.826
  526    HD1  HIS  53           HD1      HIS  53   9.740   1.587  -2.683
  527    HD2  HIS  53           HD2      HIS  53   6.357   3.277  -0.813
  528    HE1  HIS  53           HE1      HIS  53  10.614   3.371  -1.043
  529    HE2  HIS  53           HE2      HIS  53   8.537   4.349   0.113
  530    QB   HIS  53           QB       HIS  53   6.581   1.182  -3.251
  531    H    CYS  54           HN       CYS  54   7.707   0.570   0.474
  532    HA   CYS  54           HA       CYS  54   5.019   0.691   1.739
  533   1HB   CYS  54          2HB       CYS  54   7.603  -0.321   2.944
  534   2HB   CYS  54          3HB       CYS  54   6.107  -0.023   3.833
  535    QB   CYS  54           QB       CYS  54   6.855  -0.172   3.389
  536    H    CYS  55           HN       CYS  55   4.814   2.341   3.421
  537    HA   CYS  55           HA       CYS  55   6.984   4.216   3.801
  538   1HB   CYS  55          2HB       CYS  55   5.677   6.142   3.010
  539   2HB   CYS  55          3HB       CYS  55   6.196   5.053   1.745
  540    QB   CYS  55           QB       CYS  55   5.936   5.598   2.378
  541    H    GLN  56           HN       GLN  56   6.569   5.798   5.283
  542    HA   GLN  56           HA       GLN  56   4.941   4.644   7.489
  543   1HB   GLN  56          2HB       GLN  56   7.518   4.402   7.351
  544   2HB   GLN  56          3HB       GLN  56   7.557   6.104   7.806
  545   1HG   GLN  56          2HG       GLN  56   7.663   5.171   9.898
  546   2HG   GLN  56          3HG       GLN  56   5.907   5.222   9.768
  547   1HE2  GLN  56          2HE2      GLN  56   7.791   1.650  10.084
  548   2HE2  GLN  56          1HE2      GLN  56   8.648   3.174  10.225
  549    QB   GLN  56           QB       GLN  56   7.538   5.253   7.579
  550    QG   GLN  56           QG       GLN  56   6.785   5.196   9.833
  551    QE2  GLN  56           QE2      GLN  56   8.219   2.412  10.154
  552    H    SER  57           HN       SER  57   3.676   6.760   6.041
  553    HA   SER  57           HA       SER  57   3.283   8.611   8.286
  554   1HB   SER  57          2HB       SER  57   3.965   9.797   5.562
  555   2HB   SER  57          3HB       SER  57   3.579  10.659   7.059
  556    HG   SER  57           HG       SER  57   5.521   9.186   7.800
  557    QB   SER  57           QB       SER  57   3.772  10.228   6.311
  558    H    ASP  58           HN       ASP  58   1.183   9.760   8.116
  559    HA   ASP  58           HA       ASP  58  -0.822   8.044   7.118
  560   1HB   ASP  58          2HB       ASP  58  -2.391   9.660   7.796
  561   2HB   ASP  58          3HB       ASP  58  -1.074   9.736   8.975
  562    QB   ASP  58           QB       ASP  58  -1.733   9.698   8.386
  563    H    LYS  59           HN       LYS  59  -2.068   8.080   5.302
  564    HA   LYS  59           HA       LYS  59  -2.569   8.312   3.121
  565   1HB   LYS  59          2HB       LYS  59  -1.630  11.186   3.401
  566   2HB   LYS  59          3HB       LYS  59  -2.800  10.572   2.257
  567   1HG   LYS  59          2HG       LYS  59  -4.361   9.996   4.124
  568   2HG   LYS  59          3HG       LYS  59  -3.187  10.589   5.300
  569   1HD   LYS  59          2HD       LYS  59  -4.657  12.275   3.254
  570   2HD   LYS  59          3HD       LYS  59  -4.841  12.239   5.015
  571   1HE   LYS  59          2HE       LYS  59  -2.151  12.775   4.848
  572   2HE   LYS  59          3HE       LYS  59  -2.684  13.503   3.333
  573   1HZ   LYS  59          3HZ       LYS  59  -4.246  14.820   4.715
  574   2HZ   LYS  59          1HZ       LYS  59  -3.635  14.070   6.067
  575   3HZ   LYS  59          2HZ       LYS  59  -2.678  15.039   5.163
  576    QB   LYS  59           QB       LYS  59  -2.215  10.879   2.829
  577    QG   LYS  59           QG       LYS  59  -3.774  10.293   4.712
  578    QD   LYS  59           QD       LYS  59  -4.749  12.257   4.135
  579    QE   LYS  59           QE       LYS  59  -2.418  13.139   4.090
  580    QZ   LYS  59           QZ       LYS  59  -3.520  14.643   5.315
  581    H    CYS  60           HN       CYS  60   0.690   8.469   3.934
  582    HA   CYS  60           HA       CYS  60   2.024   9.458   1.797
  583   1HB   CYS  60          2HB       CYS  60   3.861   8.007   2.384
  584   2HB   CYS  60          3HB       CYS  60   3.026   8.525   3.839
  585    QB   CYS  60           QB       CYS  60   3.443   8.266   3.112
  586    H    ASN  61           HN       ASN  61   0.303   6.359   1.821
  587    HA   ASN  61           HA       ASN  61   1.632   5.436  -0.586
  588   1HB   ASN  61          2HB       ASN  61   0.446   3.428  -0.291
  589   2HB   ASN  61          3HB       ASN  61   0.896   3.942   1.338
  590   1HD2  ASN  61          2HD2      ASN  61  -2.809   2.842   0.859
  591   2HD2  ASN  61          1HD2      ASN  61  -1.244   2.094   0.487
  592    QB   ASN  61           QB       ASN  61   0.671   3.685   0.524
  593    QD2  ASN  61           QD2      ASN  61  -2.027   2.468   0.673
  594    OH   TYR  62           OH       TYR  62  -4.538  13.873  -1.924
  595    H    TYR  62           HN       TYR  62   0.328   7.911  -1.243
  596    HA   TYR  62           HA       TYR  62  -2.353   7.845  -1.433
  597   1HB   TYR  62          2HB       TYR  62  -0.274   9.680  -2.014
  598   2HB   TYR  62          3HB       TYR  62  -0.974   9.335  -3.588
  599    HD1  TYR  62           HD1      TYR  62  -3.115  10.230  -4.245
  600    HD2  TYR  62           HD2      TYR  62  -1.497  10.920  -0.309
  601    HE1  TYR  62           HE1      TYR  62  -4.519  12.252  -4.021
  602    HE2  TYR  62           HE2      TYR  62  -2.889  12.956  -0.096
  603    HH   TYR  62           HH       TYR  62  -5.139  14.002  -2.659
  604    QB   TYR  62           QB       TYR  62  -0.624   9.507  -2.801
  605    QR   TYR  62           QR       TYR  62  -3.005  11.589  -2.168
   
  Start of MODEL          15
 Raw file had 605 H/Q atoms
  Start of MODEL   15
    1    NH1  ARG   1           NH2      ARG   1  -0.349   6.257   7.326
    2    NH2  ARG   1           NH1      ARG   1   1.469   4.854   7.499
    3    H    ARG   1           HN       ARG   1  -5.424   5.174  11.704
    4    HA   ARG   1           HA       ARG   1  -3.434   6.579  11.210
    5   1HB   ARG   1          2HB       ARG   1  -2.220   4.006  11.601
    6   2HB   ARG   1          3HB       ARG   1  -1.944   4.392   9.913
    7   1HG   ARG   1          2HG       ARG   1  -1.391   6.438  12.128
    8   2HG   ARG   1          3HG       ARG   1  -0.241   5.152  11.804
    9   1HD   ARG   1          2HD       ARG   1  -1.306   6.863   9.576
   10   2HD   ARG   1          3HD       ARG   1   0.060   7.430  10.502
   11    HE   ARG   1           HE       ARG   1   1.171   5.162   9.935
   12   1HH1  ARG   1          2HH2      ARG   1  -1.047   6.874   7.726
   13   2HH1  ARG   1          1HH2      ARG   1  -0.205   6.323   6.323
   14   1HH2  ARG   1          2HH1      ARG   1   2.095   4.337   8.114
   15   2HH2  ARG   1          1HH1      ARG   1   1.401   4.594   6.522
   16    QB   ARG   1           QB       ARG   1  -2.082   4.199  10.757
   17    QG   ARG   1           QG       ARG   1  -0.816   5.795  11.966
   18    QD   ARG   1           QD       ARG   1  -0.623   7.146  10.039
   19    QH1  ARG   1           QH2      ARG   1  -0.626   6.598   7.025
   20    QH2  ARG   1           QH1      ARG   1   1.748   4.466   7.318
   21    H    ILE   2           HN       ILE   2  -3.324   7.382   8.777
   22    HA   ILE   2           HA       ILE   2  -5.620   6.056   7.387
   23    HB   ILE   2           HB       ILE   2  -4.788   8.952   7.470
   24   1HG1  ILE   2          2HG1      ILE   2  -7.217   9.190   8.387
   25   2HG1  ILE   2          3HG1      ILE   2  -7.222   7.448   8.640
   26   1HG2  ILE   2          2HG2      ILE   2  -7.091   7.555   6.024
   27   2HG2  ILE   2          3HG2      ILE   2  -6.928   9.309   6.167
   28   3HG2  ILE   2          1HG2      ILE   2  -5.726   8.394   5.265
   29   1HD1  ILE   2          1HD1      ILE   2  -5.159   9.299   9.906
   30   2HD1  ILE   2          2HD1      ILE   2  -6.748   8.977  10.635
   31   3HD1  ILE   2          3HD1      ILE   2  -5.612   7.651  10.416
   32    QG1  ILE   2           QG1      ILE   2  -7.219   8.319   8.513
   33    QG2  ILE   2           QG2      ILE   2  -6.582   8.419   5.819
   34    QD1  ILE   2           QD1      ILE   2  -5.840   8.642  10.319
   35    H    CYS   3           HN       CYS   3  -5.419   5.554   5.265
   36    HA   CYS   3           HA       CYS   3  -3.144   6.605   3.734
   37   1HB   CYS   3          2HB       CYS   3  -3.156   3.866   4.888
   38   2HB   CYS   3          3HB       CYS   3  -2.685   3.950   3.212
   39    QB   CYS   3           QB       CYS   3  -2.921   3.908   4.050
   40    OH   TYR   4           OH       TYR   4  -3.610  11.370  -1.549
   41    H    TYR   4           HN       TYR   4  -3.015   5.405   1.591
   42    HA   TYR   4           HA       TYR   4  -5.648   5.714   0.314
   43   1HB   TYR   4          2HB       TYR   4  -2.793   5.366  -0.593
   44   2HB   TYR   4          3HB       TYR   4  -4.102   5.285  -1.734
   45    HD1  TYR   4           HD2      TYR   4  -5.880   7.447  -1.279
   46    HD2  TYR   4           HD1      TYR   4  -1.626   7.410  -0.575
   47    HE1  TYR   4           HE2      TYR   4  -5.798   9.878  -1.661
   48    HE2  TYR   4           HE1      TYR   4  -1.540   9.832  -1.068
   49    HH   TYR   4           HH       TYR   4  -4.461  11.773  -1.730
   50    QB   TYR   4           QB       TYR   4  -3.447   5.325  -1.164
   51    QR   TYR   4           QR       TYR   4  -3.711   8.642  -1.146
   52    H    ASN   5           HN       ASN   5  -6.755   4.083  -0.498
   53    HA   ASN   5           HA       ASN   5  -5.775   1.256  -0.479
   54   1HB   ASN   5          2HB       ASN   5  -8.408   1.272   0.655
   55   2HB   ASN   5          3HB       ASN   5  -6.892   0.844   1.435
   56   1HD2  ASN   5          2HD2      ASN   5  -6.794   3.746   3.429
   57   2HD2  ASN   5          1HD2      ASN   5  -6.215   2.115   3.140
   58    QB   ASN   5           QB       ASN   5  -7.650   1.058   1.045
   59    QD2  ASN   5           QD2      ASN   5  -6.504   2.931   3.285
   60    H    HIS   6           HN       HIS   6  -6.241   3.267  -2.583
   61    HA   HIS   6           HA       HIS   6  -8.683   2.271  -3.932
   62   1HB   HIS   6          2HB       HIS   6  -8.283   4.014  -5.605
   63   2HB   HIS   6          3HB       HIS   6  -8.701   4.542  -4.004
   64    HD1  HIS   6           HD1      HIS   6  -6.358   5.336  -6.723
   65    HD2  HIS   6           HD2      HIS   6  -6.313   5.381  -2.520
   66    HE1  HIS   6           HE1      HIS   6  -4.317   6.830  -5.987
   67    HE2  HIS   6           HE2      HIS   6  -4.400   6.887  -3.439
   68    QB   HIS   6           QB       HIS   6  -8.492   4.278  -4.805
   69    H    GLN   7           HN       GLN   7  -8.589   1.000  -5.482
   70    HA   GLN   7           HA       GLN   7  -6.181  -0.221  -6.545
   71   1HB   GLN   7          2HB       GLN   7  -8.261  -1.420  -6.127
   72   2HB   GLN   7          3HB       GLN   7  -9.125  -0.446  -7.332
   73   1HG   GLN   7          2HG       GLN   7  -7.657  -1.459  -9.102
   74   2HG   GLN   7          3HG       GLN   7  -6.856  -2.428  -7.848
   75   1HE2  GLN   7          2HE2      GLN   7 -10.479  -3.911  -7.590
   76   2HE2  GLN   7          1HE2      GLN   7  -9.743  -2.704  -6.553
   77    QB   GLN   7           QB       GLN   7  -8.693  -0.933  -6.730
   78    QG   GLN   7           QG       GLN   7  -7.256  -1.943  -8.475
   79    QE2  GLN   7           QE2      GLN   7 -10.111  -3.308  -7.072
   80    H    SER   8           HN       SER   8  -5.935  -0.271  -9.046
   81    HA   SER   8           HA       SER   8  -5.989   2.253 -10.391
   82   1HB   SER   8          2HB       SER   8  -5.897   0.628 -12.439
   83   2HB   SER   8          3HB       SER   8  -4.537   0.873 -11.349
   84    HG   SER   8           HG       SER   8  -6.456  -1.231 -11.252
   85    QB   SER   8           QB       SER   8  -5.217   0.751 -11.894
   86    H    THR   9           HN       THR   9  -8.262   2.777  -9.600
   87    HA   THR   9           HA       THR   9 -10.139   2.316 -11.834
   88    HB   THR   9           HB       THR   9 -10.660   0.525 -10.287
   89    HG1  THR   9          1HG       THR   9 -12.889   1.049 -10.151
   90   1HG2  THR   9          1HG2      THR   9 -10.044   1.712  -8.122
   91   2HG2  THR   9          2HG2      THR   9 -11.595   2.564  -8.231
   92   3HG2  THR   9          3HG2      THR   9 -11.565   0.804  -8.109
   93    QG2  THR   9           QG2      THR   9 -11.068   1.693  -8.154
   94    H    THR  10           HN       THR  10  -9.043   4.412 -12.080
   95    HA   THR  10           HA       THR  10  -9.189   6.737 -12.102
   96    HB   THR  10           HB       THR  10 -11.189   7.613 -12.571
   97    HG1  THR  10          1HG       THR  10 -13.176   6.428 -11.925
   98   1HG2  THR  10          1HG2      THR  10 -10.565   5.703 -14.076
   99   2HG2  THR  10          2HG2      THR  10 -11.680   4.664 -13.156
  100   3HG2  THR  10          3HG2      THR  10 -12.299   6.073 -14.034
  101    QG2  THR  10           QG2      THR  10 -11.515   5.480 -13.755
  102    NH1  ARG  11           NH2      ARG  11  -8.874  13.695  -8.149
  103    NH2  ARG  11           NH1      ARG  11  -8.224  13.347  -5.952
  104    H    ARG  11           HN       ARG  11 -11.374   7.798 -10.415
  105    HA   ARG  11           HA       ARG  11  -9.754   9.417  -8.848
  106   1HB   ARG  11          2HB       ARG  11 -12.161   9.878  -9.462
  107   2HB   ARG  11          3HB       ARG  11 -12.650   8.732  -8.208
  108   1HG   ARG  11          2HG       ARG  11 -12.865  10.940  -7.314
  109   2HG   ARG  11          3HG       ARG  11 -11.518  10.172  -6.494
  110   1HD   ARG  11          2HD       ARG  11 -10.424  11.516  -8.799
  111   2HD   ARG  11          3HD       ARG  11 -11.629  12.609  -8.115
  112    HE   ARG  11           HE       ARG  11 -10.175  11.749  -5.920
  113   1HH1  ARG  11          2HH2      ARG  11  -9.516  13.510  -8.906
  114   2HH1  ARG  11          1HH2      ARG  11  -8.147  14.380  -8.293
  115   1HH2  ARG  11          2HH1      ARG  11  -8.366  12.918  -5.049
  116   2HH2  ARG  11          1HH1      ARG  11  -7.476  14.019  -6.045
  117    QB   ARG  11           QB       ARG  11 -12.405   9.305  -8.835
  118    QG   ARG  11           QG       ARG  11 -12.191  10.556  -6.904
  119    QD   ARG  11           QD       ARG  11 -11.026  12.063  -8.457
  120    QH1  ARG  11           QH2      ARG  11  -8.831  13.945  -8.599
  121    QH2  ARG  11           QH1      ARG  11  -7.921  13.469  -5.547
  122    H    ALA  12           HN       ALA  12  -8.882   9.423  -6.875
  123    HA   ALA  12           HA       ALA  12  -8.429   6.902  -5.627
  124   1HB   ALA  12          1HB       ALA  12  -6.751   8.684  -5.815
  125   2HB   ALA  12          2HB       ALA  12  -7.713   9.737  -4.753
  126   3HB   ALA  12          3HB       ALA  12  -6.995   8.257  -4.097
  127    QB   ALA  12           QB       ALA  12  -7.153   8.893  -4.889
  128    H    THR  13           HN       THR  13  -8.644   6.405  -3.300
  129    HA   THR  13           HA       THR  13 -10.744   7.807  -1.805
  130    HB   THR  13           HB       THR  13 -11.725   5.636  -1.148
  131    HG1  THR  13          1HG       THR  13 -11.128   3.775  -2.291
  132   1HG2  THR  13          2HG2      THR  13 -12.698   6.900  -3.110
  133   2HG2  THR  13          3HG2      THR  13 -11.738   5.873  -4.196
  134   3HG2  THR  13          1HG2      THR  13 -12.985   5.150  -3.168
  135    QG2  THR  13           QG2      THR  13 -12.474   5.974  -3.491
  136    H    THR  14           HN       THR  14 -10.468   7.371   0.517
  137    HA   THR  14           HA       THR  14  -7.775   6.367   1.307
  138    HB   THR  14           HB       THR  14  -7.899   8.296   2.989
  139    HG1  THR  14          1HG       THR  14 -10.178   8.706   2.513
  140   1HG2  THR  14          3HG2      THR  14  -7.710   9.044   0.037
  141   2HG2  THR  14          1HG2      THR  14  -7.092  10.004   1.394
  142   3HG2  THR  14          2HG2      THR  14  -6.395   8.402   1.056
  143    QG2  THR  14           QG2      THR  14  -7.066   9.150   0.829
  144    H    LYS  15           HN       LYS  15  -7.722   5.557   3.484
  145    HA   LYS  15           HA       LYS  15 -10.142   5.444   5.050
  146   1HB   LYS  15          2HB       LYS  15 -10.345   3.682   3.124
  147   2HB   LYS  15          3HB       LYS  15  -9.177   2.736   4.049
  148   1HG   LYS  15          2HG       LYS  15 -10.675   2.162   5.616
  149   2HG   LYS  15          3HG       LYS  15 -11.523   3.738   5.560
  150   1HD   LYS  15          2HD       LYS  15 -12.483   3.103   3.333
  151   2HD   LYS  15          3HD       LYS  15 -11.837   1.475   3.546
  152   1HE   LYS  15          2HE       LYS  15 -13.859   2.928   5.346
  153   2HE   LYS  15          3HE       LYS  15 -14.250   1.688   4.152
  154   1HZ   LYS  15          3HZ       LYS  15 -12.969   0.114   5.440
  155   2HZ   LYS  15          1HZ       LYS  15 -12.615   1.261   6.566
  156   3HZ   LYS  15          2HZ       LYS  15 -14.167   0.778   6.345
  157    QB   LYS  15           QB       LYS  15  -9.761   3.209   3.587
  158    QG   LYS  15           QG       LYS  15 -11.099   2.950   5.588
  159    QD   LYS  15           QD       LYS  15 -12.160   2.289   3.440
  160    QE   LYS  15           QE       LYS  15 -14.055   2.308   4.749
  161    QZ   LYS  15           QZ       LYS  15 -13.250   0.718   6.117
  162    H    SER  16           HN       SER  16  -9.783   3.880   6.887
  163    HA   SER  16           HA       SER  16  -7.218   4.673   8.074
  164   1HB   SER  16          2HB       SER  16  -9.438   5.113   9.203
  165   2HB   SER  16          3HB       SER  16  -9.520   3.370   9.539
  166    HG   SER  16           HG       SER  16  -8.543   4.563  11.242
  167    QB   SER  16           QB       SER  16  -9.479   4.242   9.371
  168    H    CYS  17           HN       CYS  17  -6.060   3.215   9.413
  169    HA   CYS  17           HA       CYS  17  -5.867   0.350   8.639
  170   1HB   CYS  17          2HB       CYS  17  -4.521   1.482   7.003
  171   2HB   CYS  17          3HB       CYS  17  -3.945   2.630   8.207
  172    QB   CYS  17           QB       CYS  17  -4.233   2.056   7.605
  173    H    GLU  20           HN       GLU  20  -5.013  -0.860  10.373
  174    HA   GLU  20           HA       GLU  20  -4.803   0.522  12.930
  175   1HB   GLU  20          2HB       GLU  20  -4.746  -1.744  13.875
  176   2HB   GLU  20          3HB       GLU  20  -6.160  -1.389  12.875
  177   1HG   GLU  20          2HG       GLU  20  -5.080  -2.699  10.990
  178   2HG   GLU  20          3HG       GLU  20  -3.805  -3.153  12.132
  179    QB   GLU  20           QB       GLU  20  -5.453  -1.566  13.375
  180    QG   GLU  20           QG       GLU  20  -4.442  -2.926  11.561
  181    H    GLU  21           HN       GLU  21  -2.591  -1.544  10.872
  182    HA   GLU  21           HA       GLU  21  -0.274  -1.147  12.377
  183   1HB   GLU  21          2HB       GLU  21  -0.576  -1.210   9.338
  184   2HB   GLU  21          3HB       GLU  21   0.943  -1.317  10.220
  185   1HG   GLU  21          2HG       GLU  21   0.579  -3.507   9.761
  186   2HG   GLU  21          3HG       GLU  21  -0.049  -3.387  11.391
  187    QB   GLU  21           QB       GLU  21   0.183  -1.264   9.779
  188    QG   GLU  21           QG       GLU  21   0.265  -3.447  10.576
  189    H    ASN  22           HN       ASN  22   1.534   0.251  12.001
  190    HA   ASN  22           HA       ASN  22   0.726   3.053  11.573
  191   1HB   ASN  22          2HB       ASN  22   2.084   2.394  13.532
  192   2HB   ASN  22          3HB       ASN  22   3.420   1.970  12.445
  193   1HD2  ASN  22          2HD2      ASN  22   4.402   5.376  12.081
  194   2HD2  ASN  22          1HD2      ASN  22   4.810   3.688  11.839
  195    QB   ASN  22           QB       ASN  22   2.752   2.182  12.988
  196    QD2  ASN  22           QD2      ASN  22   4.606   4.532  11.960
  197    H    SER  23           HN       SER  23   2.176   0.527   9.667
  198    HA   SER  23           HA       SER  23   3.436   2.431   7.756
  199   1HB   SER  23          2HB       SER  23   4.060   0.059   6.759
  200   2HB   SER  23          3HB       SER  23   4.975   0.769   8.083
  201    HG   SER  23           HG       SER  23   4.072  -0.609   9.493
  202    QB   SER  23           QB       SER  23   4.518   0.414   7.421
  203    H    CYS  24           HN       CYS  24   3.112   1.846   5.443
  204    HA   CYS  24           HA       CYS  24   0.590   0.543   4.748
  205   1HB   CYS  24          2HB       CYS  24   1.252   3.336   3.742
  206   2HB   CYS  24          3HB       CYS  24  -0.183   2.377   3.352
  207    QB   CYS  24           QB       CYS  24   0.535   2.856   3.547
  208    OH   TYR  25           OH       TYR  25  -2.062  -5.168   0.403
  209    H    TYR  25           HN       TYR  25   0.578  -0.127   2.516
  210    HA   TYR  25           HA       TYR  25   3.107   0.199   1.065
  211   1HB   TYR  25          2HB       TYR  25   3.217  -2.048   0.422
  212   2HB   TYR  25          3HB       TYR  25   2.938  -2.062   2.154
  213    HD1  TYR  25           HD1      TYR  25   1.516  -2.846  -1.183
  214    HD2  TYR  25           HD2      TYR  25   0.799  -2.821   3.043
  215    HE1  TYR  25           HE1      TYR  25  -0.539  -4.188  -1.524
  216    HE2  TYR  25           HE2      TYR  25  -1.104  -4.407   2.733
  217    HH   TYR  25           HH       TYR  25  -2.353  -5.220  -0.508
  218    QB   TYR  25           QB       TYR  25   3.077  -2.055   1.288
  219    QR   TYR  25           QR       TYR  25   0.168  -3.566   0.767
  220    H    LYS  26           HN       LYS  26   3.079  -0.237  -1.138
  221    HA   LYS  26           HA       LYS  26   0.544   0.239  -2.620
  222   1HB   LYS  26          2HB       LYS  26   2.139   2.223  -2.541
  223   2HB   LYS  26          3HB       LYS  26   3.378   1.179  -3.249
  224   1HG   LYS  26          2HG       LYS  26   1.677   0.842  -5.214
  225   2HG   LYS  26          3HG       LYS  26   0.793   2.181  -4.476
  226   1HD   LYS  26          2HD       LYS  26   2.890   3.539  -4.542
  227   2HD   LYS  26          3HD       LYS  26   3.718   2.221  -5.375
  228   1HE   LYS  26          2HE       LYS  26   2.908   2.854  -7.384
  229   2HE   LYS  26          3HE       LYS  26   1.249   2.822  -6.790
  230   1HZ   LYS  26          1HZ       LYS  26   3.092   5.096  -6.425
  231   2HZ   LYS  26          2HZ       LYS  26   1.861   5.039  -7.517
  232   3HZ   LYS  26          3HZ       LYS  26   1.529   5.012  -5.912
  233    QB   LYS  26           QB       LYS  26   2.758   1.701  -2.895
  234    QG   LYS  26           QG       LYS  26   1.235   1.511  -4.845
  235    QD   LYS  26           QD       LYS  26   3.304   2.880  -4.958
  236    QE   LYS  26           QE       LYS  26   2.078   2.838  -7.087
  237    QZ   LYS  26           QZ       LYS  26   2.160   5.049  -6.618
  238    H    LYS  27           HN       LYS  27   0.321  -1.261  -4.300
  239    HA   LYS  27           HA       LYS  27   2.491  -3.191  -4.917
  240   1HB   LYS  27          2HB       LYS  27  -0.229  -3.578  -3.831
  241   2HB   LYS  27          3HB       LYS  27  -0.057  -4.372  -5.384
  242   1HG   LYS  27          2HG       LYS  27   2.125  -4.737  -3.338
  243   2HG   LYS  27          3HG       LYS  27   0.609  -5.571  -3.059
  244   1HD   LYS  27          2HD       LYS  27   1.863  -5.783  -5.809
  245   2HD   LYS  27          3HD       LYS  27   2.588  -6.670  -4.493
  246   1HE   LYS  27          2HE       LYS  27   1.074  -8.226  -5.405
  247   2HE   LYS  27          3HE       LYS  27   0.310  -7.671  -3.928
  248   1HZ   LYS  27          2HZ       LYS  27  -0.313  -6.737  -6.655
  249   2HZ   LYS  27          3HZ       LYS  27  -1.237  -7.751  -5.761
  250   3HZ   LYS  27          1HZ       LYS  27  -1.048  -6.194  -5.287
  251    QB   LYS  27           QB       LYS  27  -0.143  -3.975  -4.607
  252    QG   LYS  27           QG       LYS  27   1.367  -5.154  -3.199
  253    QD   LYS  27           QD       LYS  27   2.226  -6.226  -5.151
  254    QE   LYS  27           QE       LYS  27   0.692  -7.949  -4.666
  255    QZ   LYS  27           QZ       LYS  27  -0.866  -6.894  -5.901
  256    OH   TYR  28           OH       TYR  28   7.667  -0.367  -6.420
  257    H    TYR  28           HN       TYR  28   2.925  -3.236  -7.169
  258    HA   TYR  28           HA       TYR  28   0.865  -2.239  -9.025
  259   1HB   TYR  28          2HB       TYR  28   2.618  -0.692  -9.893
  260   2HB   TYR  28          3HB       TYR  28   1.806  -0.211  -8.421
  261    HD1  TYR  28           HD1      TYR  28   3.134  -0.544  -6.173
  262    HD2  TYR  28           HD2      TYR  28   4.987  -0.810 -10.056
  263    HE1  TYR  28           HE1      TYR  28   5.337  -0.207  -5.137
  264    HE2  TYR  28           HE2      TYR  28   7.209  -0.512  -8.999
  265    HH   TYR  28           HH       TYR  28   7.691  -0.664  -5.503
  266    QB   TYR  28           QB       TYR  28   2.212  -0.452  -9.157
  267    QR   TYR  28           QR       TYR  28   5.167  -0.518  -7.591
  268    CH2  TRP  29           CH2      TRP  29  -2.431  -6.121  -8.729
  269    H    TRP  29           HN       TRP  29   1.024  -3.183 -11.028
  270    HA   TRP  29           HA       TRP  29   3.577  -4.186 -11.975
  271   1HB   TRP  29          2HB       TRP  29   2.897  -6.453 -12.154
  272   2HB   TRP  29          3HB       TRP  29   2.874  -5.988 -10.466
  273    HD1  TRP  29           HD1      TRP  29   0.768  -7.240 -13.312
  274    HE1  TRP  29           HE1      TRP  29  -1.629  -7.552 -12.732
  275    HE3  TRP  29           HE3      TRP  29   0.801  -5.034  -8.682
  276    HZ2  TRP  29           HZ2      TRP  29  -3.335  -7.241 -10.344
  277    HZ3  TRP  29           HZ3      TRP  29  -1.321  -4.806  -7.434
  278    HH2  TRP  29           HH2      TRP  29  -3.339  -6.074  -8.143
  279    QB   TRP  29           QB       TRP  29   2.885  -6.221 -11.310
  280    NH1  ARG  30           NH2      ARG  30   7.137  -5.617 -16.042
  281    NH2  ARG  30           NH1      ARG  30   6.927  -6.626 -18.118
  282    H    ARG  30           HN       ARG  30   3.290  -5.122 -14.190
  283    HA   ARG  30           HA       ARG  30   1.566  -3.348 -15.702
  284   1HB   ARG  30          2HB       ARG  30   3.498  -5.352 -16.802
  285   2HB   ARG  30          3HB       ARG  30   2.971  -3.807 -17.453
  286   1HG   ARG  30          2HG       ARG  30   4.154  -2.662 -15.505
  287   2HG   ARG  30          3HG       ARG  30   4.872  -4.227 -15.109
  288   1HD   ARG  30          2HD       ARG  30   5.218  -2.607 -17.650
  289   2HD   ARG  30          3HD       ARG  30   6.460  -2.949 -16.457
  290    HE   ARG  30           HE       ARG  30   5.572  -4.588 -18.672
  291   1HH1  ARG  30          2HH2      ARG  30   6.929  -4.841 -15.433
  292   2HH1  ARG  30          1HH2      ARG  30   7.685  -6.385 -15.684
  293   1HH2  ARG  30          2HH1      ARG  30   6.576  -6.624 -19.065
  294   2HH2  ARG  30          1HH1      ARG  30   7.477  -7.416 -17.816
  295    QB   ARG  30           QB       ARG  30   3.234  -4.579 -17.128
  296    QG   ARG  30           QG       ARG  30   4.513  -3.445 -15.307
  297    QD   ARG  30           QD       ARG  30   5.839  -2.778 -17.053
  298    QH1  ARG  30           QH2      ARG  30   7.307  -5.613 -15.558
  299    QH2  ARG  30           QH1      ARG  30   7.027  -7.020 -18.441
  300    H    ASP  31           HN       ASP  31  -0.198  -4.052 -16.953
  301    HA   ASP  31           HA       ASP  31  -0.653  -6.958 -17.370
  302   1HB   ASP  31          2HB       ASP  31  -2.768  -5.001 -16.410
  303   2HB   ASP  31          3HB       ASP  31  -2.961  -6.748 -16.605
  304    QB   ASP  31           QB       ASP  31  -2.865  -5.875 -16.507
  305    H    HIS  32           HN       HIS  32  -2.911  -6.897 -18.573
  306    HA   HIS  32           HA       HIS  32  -2.901  -5.301 -21.025
  307   1HB   HIS  32          2HB       HIS  32  -5.387  -6.159 -21.014
  308   2HB   HIS  32          3HB       HIS  32  -4.056  -7.259 -21.347
  309    HD1  HIS  32           HD1      HIS  32  -4.375  -9.505 -20.172
  310    HD2  HIS  32           HD2      HIS  32  -5.735  -6.199 -17.918
  311    HE1  HIS  32           HE1      HIS  32  -5.126 -10.421 -17.892
  312    HE2  HIS  32           HE2      HIS  32  -5.942  -8.398 -16.536
  313    QB   HIS  32           QB       HIS  32  -4.722  -6.709 -21.180
  314    NH1  ARG  33           NH2      ARG  33 -10.143   0.459 -20.458
  315    NH2  ARG  33           NH1      ARG  33  -9.979   2.369 -19.155
  316    H    ARG  33           HN       ARG  33  -4.323  -3.498 -21.436
  317    HA   ARG  33           HA       ARG  33  -5.504  -1.748 -21.143
  318   1HB   ARG  33          2HB       ARG  33  -6.952  -3.220 -19.542
  319   2HB   ARG  33          3HB       ARG  33  -6.132  -2.320 -18.240
  320   1HG   ARG  33          2HG       ARG  33  -6.713  -0.216 -19.523
  321   2HG   ARG  33          3HG       ARG  33  -7.686  -1.219 -20.611
  322   1HD   ARG  33          2HD       ARG  33  -9.311  -1.667 -18.859
  323   2HD   ARG  33          3HD       ARG  33  -8.142  -1.292 -17.601
  324    HE   ARG  33           HE       ARG  33  -8.643   0.888 -17.634
  325   1HH1  ARG  33          2HH2      ARG  33  -9.907  -0.511 -20.600
  326   2HH1  ARG  33          1HH2      ARG  33 -10.708   0.931 -21.148
  327   1HH2  ARG  33          2HH1      ARG  33  -9.628   2.849 -18.339
  328   2HH2  ARG  33          1HH1      ARG  33 -10.528   2.898 -19.817
  329    QB   ARG  33           QB       ARG  33  -6.542  -2.770 -18.891
  330    QG   ARG  33           QG       ARG  33  -7.200  -0.717 -20.067
  331    QD   ARG  33           QD       ARG  33  -8.726  -1.480 -18.230
  332    QH1  ARG  33           QH2      ARG  33 -10.308   0.210 -20.874
  333    QH2  ARG  33           QH1      ARG  33 -10.078   2.873 -19.078
  334    H    GLY  34           HN       GLY  34  -3.245  -2.541 -18.540
  335   1HA   GLY  34          1HA       GLY  34  -1.583  -0.301 -18.825
  336   2HA   GLY  34          2HA       GLY  34  -2.848   0.169 -17.671
  337    QA   GLY  34           QA       GLY  34  -2.215  -0.066 -18.248
  338    H    THR  35           HN       THR  35  -1.112   0.311 -16.135
  339    HA   THR  35           HA       THR  35  -0.110  -2.260 -15.066
  340    HB   THR  35           HB       THR  35   1.478  -0.409 -15.441
  341    HG1  THR  35          1HG       THR  35   2.437  -0.450 -13.396
  342   1HG2  THR  35          3HG2      THR  35  -0.036   1.546 -14.914
  343   2HG2  THR  35          1HG2      THR  35   0.117   1.117 -13.200
  344   3HG2  THR  35          2HG2      THR  35   1.544   1.598 -14.123
  345    QG2  THR  35           QG2      THR  35   0.542   1.421 -14.079
  346    H    ILE  36           HN       ILE  36  -1.568  -3.333 -13.663
  347    HA   ILE  36           HA       ILE  36  -3.698  -1.708 -12.507
  348    HB   ILE  36           HB       ILE  36  -2.885  -4.581 -12.228
  349   1HG1  ILE  36          2HG1      ILE  36  -5.406  -4.830 -12.636
  350   2HG1  ILE  36          3HG1      ILE  36  -5.542  -3.076 -12.694
  351   1HG2  ILE  36          1HG2      ILE  36  -4.830  -3.194 -10.330
  352   2HG2  ILE  36          2HG2      ILE  36  -4.584  -4.934 -10.481
  353   3HG2  ILE  36          3HG2      ILE  36  -3.278  -3.914  -9.885
  354   1HD1  ILE  36          2HD1      ILE  36  -4.009  -3.153 -14.757
  355   2HD1  ILE  36          3HD1      ILE  36  -4.214  -4.923 -14.667
  356   3HD1  ILE  36          1HD1      ILE  36  -5.613  -3.884 -14.926
  357    QG1  ILE  36           QG1      ILE  36  -5.474  -3.953 -12.665
  358    QG2  ILE  36           QG2      ILE  36  -4.231  -4.014 -10.232
  359    QD1  ILE  36           QD1      ILE  36  -4.612  -3.987 -14.783
  360    H    ILE  37           HN       ILE  37  -3.827  -0.800 -10.506
  361    HA   ILE  37           HA       ILE  37  -1.350  -0.833  -8.824
  362    HB   ILE  37           HB       ILE  37  -3.491   1.320  -9.099
  363   1HG1  ILE  37          2HG1      ILE  37  -2.126   1.262 -11.170
  364   2HG1  ILE  37          3HG1      ILE  37  -1.913   2.725 -10.226
  365   1HG2  ILE  37          2HG2      ILE  37  -0.959   1.037  -7.446
  366   2HG2  ILE  37          3HG2      ILE  37  -1.634   2.606  -7.902
  367   3HG2  ILE  37          1HG2      ILE  37  -2.603   1.463  -6.930
  368   1HD1  ILE  37          2HD1      ILE  37   0.239   1.819  -9.311
  369   2HD1  ILE  37          3HD1      ILE  37   0.025   0.376 -10.337
  370   3HD1  ILE  37          1HD1      ILE  37   0.231   1.980 -11.067
  371    QG1  ILE  37           QG1      ILE  37  -2.019   1.994 -10.698
  372    QG2  ILE  37           QG2      ILE  37  -1.732   1.702  -7.426
  373    QD1  ILE  37           QD1      ILE  37   0.165   1.392 -10.239
  374    H    GLU  38           HN       GLU  38  -1.693  -1.500  -6.723
  375    HA   GLU  38           HA       GLU  38  -4.434  -1.571  -5.664
  376   1HB   GLU  38          2HB       GLU  38  -3.806  -3.877  -6.609
  377   2HB   GLU  38          3HB       GLU  38  -2.468  -3.905  -5.438
  378   1HG   GLU  38          2HG       GLU  38  -4.369  -5.170  -4.571
  379   2HG   GLU  38          3HG       GLU  38  -4.197  -3.709  -3.589
  380    QB   GLU  38           QB       GLU  38  -3.137  -3.891  -6.023
  381    QG   GLU  38           QG       GLU  38  -4.283  -4.439  -4.080
  382    NH1  ARG  39           NH2      ARG  39  -1.153   4.133  -5.990
  383    NH2  ARG  39           NH1      ARG  39  -3.303   4.291  -6.804
  384    H    ARG  39           HN       ARG  39  -4.366  -1.176  -3.294
  385    HA   ARG  39           HA       ARG  39  -1.657  -0.601  -2.219
  386   1HB   ARG  39          2HB       ARG  39  -4.085   1.254  -2.197
  387   2HB   ARG  39          3HB       ARG  39  -2.518   1.482  -1.420
  388   1HG   ARG  39          2HG       ARG  39  -1.507   1.200  -3.798
  389   2HG   ARG  39          3HG       ARG  39  -3.175   1.402  -4.384
  390   1HD   ARG  39          2HD       ARG  39  -2.699   3.498  -2.532
  391   2HD   ARG  39          3HD       ARG  39  -1.209   3.339  -3.464
  392    HE   ARG  39           HE       ARG  39  -3.840   4.259  -4.318
  393   1HH1  ARG  39          2HH2      ARG  39  -0.551   4.005  -5.171
  394   2HH1  ARG  39          1HH2      ARG  39  -0.795   4.953  -6.485
  395   1HH2  ARG  39          2HH1      ARG  39  -4.233   3.906  -6.722
  396   2HH2  ARG  39          1HH1      ARG  39  -2.932   4.458  -7.731
  397    QB   ARG  39           QB       ARG  39  -3.302   1.368  -1.809
  398    QG   ARG  39           QG       ARG  39  -2.341   1.301  -4.091
  399    QD   ARG  39           QD       ARG  39  -1.954   3.419  -2.998
  400    QH1  ARG  39           QH2      ARG  39  -0.673   4.479  -5.828
  401    QH2  ARG  39           QH1      ARG  39  -3.583   4.182  -7.227
  402    H    GLY  40           HN       GLY  40  -1.531  -0.731   0.071
  403   1HA   GLY  40          1HA       GLY  40  -3.898  -1.244   1.581
  404   2HA   GLY  40          2HA       GLY  40  -3.037  -2.762   1.268
  405    QA   GLY  40           QA       GLY  40  -3.467  -2.003   1.424
  406    H    CYS  41           HN       CYS  41  -2.881  -2.539   3.732
  407    HA   CYS  41           HA       CYS  41  -1.382  -0.161   4.666
  408   1HB   CYS  41          2HB       CYS  41  -3.248   0.128   5.646
  409   2HB   CYS  41          3HB       CYS  41  -3.845  -1.514   5.382
  410    QB   CYS  41           QB       CYS  41  -3.547  -0.693   5.514
  411    H    GLY  42           HN       GLY  42  -0.207  -0.551   6.837
  412   1HA   GLY  42          1HA       GLY  42   1.442  -1.758   8.030
  413   2HA   GLY  42          2HA       GLY  42   0.790  -3.234   7.326
  414    QA   GLY  42           QA       GLY  42   1.116  -2.496   7.678
  415    H    CYS  43           HN       CYS  43   2.914  -4.087   6.837
  416    HA   CYS  43           HA       CYS  43   3.827  -3.232   4.188
  417   1HB   CYS  43          2HB       CYS  43   5.170  -1.775   5.616
  418   2HB   CYS  43          3HB       CYS  43   5.806  -3.178   6.482
  419    QB   CYS  43           QB       CYS  43   5.488  -2.476   6.049
  420    HA   PRO  44           HA       PRO  44   4.079  -7.805   5.016
  421   1HB   PRO  44          2HB       PRO  44   2.142  -8.714   3.337
  422   2HB   PRO  44          3HB       PRO  44   1.741  -8.013   4.933
  423   1HG   PRO  44          2HG       PRO  44   1.715  -6.608   2.242
  424   2HG   PRO  44          3HG       PRO  44   0.415  -6.639   3.470
  425   1HD   PRO  44          2HD       PRO  44   2.266  -4.612   3.278
  426   2HD   PRO  44          3HD       PRO  44   1.562  -5.116   4.846
  427    QB   PRO  44           QB       PRO  44   1.941  -8.363   4.135
  428    QG   PRO  44           QG       PRO  44   1.065  -6.624   2.856
  429    QD   PRO  44           QD       PRO  44   1.914  -4.864   4.062
  430    H    LYS  45           HN       LYS  45   4.592  -9.510   3.368
  431    HA   LYS  45           HA       LYS  45   6.150  -8.441   1.082
  432   1HB   LYS  45          2HB       LYS  45   7.247  -9.949   2.542
  433   2HB   LYS  45          3HB       LYS  45   5.968 -11.170   2.393
  434   1HG   LYS  45          2HG       LYS  45   6.606 -11.619   0.095
  435   2HG   LYS  45          3HG       LYS  45   7.806 -10.309   0.102
  436   1HD   LYS  45          2HD       LYS  45   7.839 -12.626   2.078
  437   2HD   LYS  45          3HD       LYS  45   8.582 -12.791   0.497
  438   1HE   LYS  45          2HE       LYS  45   9.384 -10.419   2.231
  439   2HE   LYS  45          3HE       LYS  45   9.975 -12.023   2.663
  440   1HZ   LYS  45          3HZ       LYS  45  10.356 -10.785   0.021
  441   2HZ   LYS  45          1HZ       LYS  45  11.475 -10.830   1.227
  442   3HZ   LYS  45          2HZ       LYS  45  10.967 -12.228   0.531
  443    QB   LYS  45           QB       LYS  45   6.608 -10.559   2.468
  444    QG   LYS  45           QG       LYS  45   7.206 -10.964   0.098
  445    QD   LYS  45           QD       LYS  45   8.211 -12.709   1.288
  446    QE   LYS  45           QE       LYS  45   9.679 -11.221   2.447
  447    QZ   LYS  45           QZ       LYS  45  10.933 -11.281   0.593
  448    H    VAL  46           HN       VAL  46   5.941  -9.545  -0.932
  449    HA   VAL  46           HA       VAL  46   3.206 -10.538  -1.612
  450    HB   VAL  46           HB       VAL  46   3.131  -9.011  -3.515
  451   1HG1  VAL  46          2HG1      VAL  46   2.155  -8.280  -1.360
  452   2HG1  VAL  46          3HG1      VAL  46   3.684  -7.497  -0.916
  453   3HG1  VAL  46          1HG1      VAL  46   2.767  -6.905  -2.288
  454   1HG2  VAL  46          1HG2      VAL  46   5.639  -8.795  -3.848
  455   2HG2  VAL  46          2HG2      VAL  46   4.750  -7.283  -3.899
  456   3HG2  VAL  46          3HG2      VAL  46   5.676  -7.712  -2.445
  457    QG1  VAL  46           QG1      VAL  46   2.869  -7.560  -1.521
  458    QG2  VAL  46           QG2      VAL  46   5.355  -7.930  -3.397
  459    QQG  VAL  46           QQG      VAL  46   4.112  -7.745  -2.459
  460    H    LYS  47           HN       LYS  47   3.381 -10.970  -4.221
  461    HA   LYS  47           HA       LYS  47   5.213 -13.230  -4.401
  462   1HB   LYS  47          2HB       LYS  47   4.176 -13.381  -6.749
  463   2HB   LYS  47          3HB       LYS  47   3.144 -13.722  -5.368
  464   1HG   LYS  47          2HG       LYS  47   3.217 -10.893  -6.407
  465   2HG   LYS  47          3HG       LYS  47   2.465 -12.077  -7.444
  466   1HD   LYS  47          2HD       LYS  47   1.584 -12.169  -4.557
  467   2HD   LYS  47          3HD       LYS  47   1.148 -10.727  -5.467
  468   1HE   LYS  47          2HE       LYS  47  -0.646 -12.380  -5.580
  469   2HE   LYS  47          3HE       LYS  47   0.011 -12.019  -7.181
  470   1HZ   LYS  47          1HZ       LYS  47   1.276 -14.069  -7.041
  471   2HZ   LYS  47          2HZ       LYS  47   0.637 -14.406  -5.562
  472   3HZ   LYS  47          3HZ       LYS  47  -0.334 -14.354  -6.887
  473    QB   LYS  47           QB       LYS  47   3.660 -13.552  -6.059
  474    QG   LYS  47           QG       LYS  47   2.841 -11.485  -6.926
  475    QD   LYS  47           QD       LYS  47   1.366 -11.448  -5.012
  476    QE   LYS  47           QE       LYS  47  -0.318 -12.200  -6.381
  477    QZ   LYS  47           QZ       LYS  47   0.527 -14.276  -6.497
  478    HA   PRO  48           HA       PRO  48   8.424 -10.987  -6.501
  479   1HB   PRO  48          2HB       PRO  48   9.593 -12.890  -8.090
  480   2HB   PRO  48          3HB       PRO  48   9.696 -12.932  -6.307
  481   1HG   PRO  48          2HG       PRO  48   7.721 -14.407  -8.074
  482   2HG   PRO  48          3HG       PRO  48   8.748 -15.095  -6.781
  483   1HD   PRO  48          2HD       PRO  48   6.169 -14.408  -6.326
  484   2HD   PRO  48          3HD       PRO  48   7.406 -14.088  -5.081
  485    QB   PRO  48           QB       PRO  48   9.644 -12.911  -7.198
  486    QG   PRO  48           QG       PRO  48   8.235 -14.751  -7.427
  487    QD   PRO  48           QD       PRO  48   6.788 -14.248  -5.704
  488    H    GLY  49           HN       GLY  49   9.125 -10.287  -8.703
  489   1HA   GLY  49          1HA       GLY  49   8.728  -9.454 -10.771
  490   2HA   GLY  49          2HA       GLY  49   7.698 -10.862 -11.056
  491    QA   GLY  49           QA       GLY  49   8.213 -10.158 -10.914
  492    H    VAL  50           HN       VAL  50   6.825  -8.845  -8.364
  493    HA   VAL  50           HA       VAL  50   4.870  -7.211  -9.894
  494    HB   VAL  50           HB       VAL  50   4.383  -8.841  -7.339
  495   1HG1  VAL  50          3HG1      VAL  50   3.216  -6.553  -7.488
  496   2HG1  VAL  50          1HG1      VAL  50   2.310  -7.240  -8.854
  497   3HG1  VAL  50          2HG1      VAL  50   2.197  -7.989  -7.275
  498   1HG2  VAL  50          2HG2      VAL  50   3.319  -9.142 -10.185
  499   2HG2  VAL  50          3HG2      VAL  50   4.232 -10.337  -9.245
  500   3HG2  VAL  50          1HG2      VAL  50   2.578  -9.924  -8.778
  501    QG1  VAL  50           QG1      VAL  50   2.574  -7.261  -7.872
  502    QG2  VAL  50           QG2      VAL  50   3.376  -9.801  -9.402
  503    QQG  VAL  50           QQG      VAL  50   2.975  -8.531  -8.637
  504    H    GLY  51           HN       GLY  51   5.100  -5.016  -9.193
  505   1HA   GLY  51          1HA       GLY  51   7.306  -4.549  -7.469
  506   2HA   GLY  51          2HA       GLY  51   6.328  -3.295  -8.187
  507    QA   GLY  51           QA       GLY  51   6.817  -3.922  -7.828
  508    H    ILE  52           HN       ILE  52   7.205  -3.181  -5.697
  509    HA   ILE  52           HA       ILE  52   4.798  -2.944  -4.102
  510    HB   ILE  52           HB       ILE  52   5.481  -5.256  -3.686
  511   1HG1  ILE  52          2HG1      ILE  52   4.505  -3.654  -1.863
  512   2HG1  ILE  52          3HG1      ILE  52   4.963  -5.318  -1.524
  513   1HG2  ILE  52          2HG2      ILE  52   7.862  -5.153  -4.095
  514   2HG2  ILE  52          3HG2      ILE  52   8.117  -4.166  -2.646
  515   3HG2  ILE  52          1HG2      ILE  52   7.539  -5.839  -2.500
  516   1HD1  ILE  52          2HD1      ILE  52   6.817  -2.995  -0.896
  517   2HD1  ILE  52          3HD1      ILE  52   5.657  -3.708   0.233
  518   3HD1  ILE  52          1HD1      ILE  52   6.975  -4.691  -0.415
  519    QG1  ILE  52           QG1      ILE  52   4.734  -4.486  -1.694
  520    QG2  ILE  52           QG2      ILE  52   7.839  -5.053  -3.080
  521    QD1  ILE  52           QD1      ILE  52   6.483  -3.798  -0.359
  522    H    HIS  53           HN       HIS  53   5.119  -1.390  -2.352
  523    HA   HIS  53           HA       HIS  53   7.794  -0.774  -1.506
  524   1HB   HIS  53          2HB       HIS  53   7.467   0.820  -3.513
  525   2HB   HIS  53          3HB       HIS  53   6.187   1.589  -2.582
  526    HD1  HIS  53           HD1      HIS  53   7.060   2.932  -0.290
  527    HD2  HIS  53           HD2      HIS  53  10.017   1.144  -2.720
  528    HE1  HIS  53           HE1      HIS  53   9.305   3.816   0.537
  529    HE2  HIS  53           HE2      HIS  53  11.105   2.738  -0.948
  530    QB   HIS  53           QB       HIS  53   6.827   1.204  -3.048
  531    H    CYS  54           HN       CYS  54   7.627   0.285   0.704
  532    HA   CYS  54           HA       CYS  54   4.936   1.028   1.499
  533   1HB   CYS  54          2HB       CYS  54   4.945  -0.413   3.359
  534   2HB   CYS  54          3HB       CYS  54   5.517  -1.419   2.053
  535    QB   CYS  54           QB       CYS  54   5.231  -0.916   2.706
  536    H    CYS  55           HN       CYS  55   4.882   2.111   3.612
  537    HA   CYS  55           HA       CYS  55   7.141   3.808   4.273
  538   1HB   CYS  55          2HB       CYS  55   5.979   5.862   3.409
  539   2HB   CYS  55          3HB       CYS  55   6.676   4.806   2.206
  540    QB   CYS  55           QB       CYS  55   6.328   5.334   2.808
  541    H    GLN  56           HN       GLN  56   6.470   5.482   5.764
  542    HA   GLN  56           HA       GLN  56   4.505   4.293   7.673
  543   1HB   GLN  56          2HB       GLN  56   7.025   5.858   8.305
  544   2HB   GLN  56          3HB       GLN  56   6.003   4.928   9.397
  545   1HG   GLN  56          2HG       GLN  56   7.831   3.533   9.048
  546   2HG   GLN  56          3HG       GLN  56   6.565   2.856   8.012
  547   1HE2  GLN  56          2HE2      GLN  56   9.469   2.734   5.832
  548   2HE2  GLN  56          1HE2      GLN  56   8.681   1.828   7.107
  549    QB   GLN  56           QB       GLN  56   6.514   5.393   8.851
  550    QG   GLN  56           QG       GLN  56   7.198   3.195   8.530
  551    QE2  GLN  56           QE2      GLN  56   9.075   2.281   6.470
  552    H    SER  57           HN       SER  57   3.882   6.560   5.755
  553    HA   SER  57           HA       SER  57   3.190   8.659   7.773
  554   1HB   SER  57          2HB       SER  57   3.557  10.078   5.486
  555   2HB   SER  57          3HB       SER  57   4.791   9.790   6.723
  556    HG   SER  57           HG       SER  57   5.608   9.268   4.689
  557    QB   SER  57           QB       SER  57   4.174   9.934   6.105
  558    H    ASP  58           HN       ASP  58   1.391  10.022   7.339
  559    HA   ASP  58           HA       ASP  58  -0.869   8.451   6.654
  560   1HB   ASP  58          2HB       ASP  58  -0.470  10.730   8.100
  561   2HB   ASP  58          3HB       ASP  58  -1.486  11.276   6.742
  562    QB   ASP  58           QB       ASP  58  -0.978  11.003   7.421
  563    H    LYS  59           HN       LYS  59  -1.917   8.253   4.851
  564    HA   LYS  59           HA       LYS  59  -2.076   8.038   2.488
  565   1HB   LYS  59          2HB       LYS  59  -2.128  11.060   2.823
  566   2HB   LYS  59          3HB       LYS  59  -2.561  10.225   1.358
  567   1HG   LYS  59          2HG       LYS  59  -4.594   9.774   2.029
  568   2HG   LYS  59          3HG       LYS  59  -4.028   8.953   3.473
  569   1HD   LYS  59          2HD       LYS  59  -4.498  11.961   3.220
  570   2HD   LYS  59          3HD       LYS  59  -5.596  10.785   3.969
  571   1HE   LYS  59          2HE       LYS  59  -3.650  10.095   5.497
  572   2HE   LYS  59          3HE       LYS  59  -2.780  11.527   4.899
  573   1HZ   LYS  59          2HZ       LYS  59  -5.372  11.614   6.272
  574   2HZ   LYS  59          3HZ       LYS  59  -3.936  11.713   7.038
  575   3HZ   LYS  59          1HZ       LYS  59  -4.399  12.884   5.917
  576    QB   LYS  59           QB       LYS  59  -2.344  10.642   2.091
  577    QG   LYS  59           QG       LYS  59  -4.311   9.363   2.751
  578    QD   LYS  59           QD       LYS  59  -5.047  11.373   3.595
  579    QE   LYS  59           QE       LYS  59  -3.215  10.811   5.198
  580    QZ   LYS  59           QZ       LYS  59  -4.569  12.070   6.409
  581    H    CYS  60           HN       CYS  60   0.626   7.770   3.419
  582    HA   CYS  60           HA       CYS  60   2.346   9.131   1.553
  583   1HB   CYS  60          2HB       CYS  60   4.077   7.763   2.423
  584   2HB   CYS  60          3HB       CYS  60   2.982   8.196   3.727
  585    QB   CYS  60           QB       CYS  60   3.529   7.979   3.075
  586    H    ASN  61           HN       ASN  61   0.540   6.087   1.440
  587    HA   ASN  61           HA       ASN  61   2.117   5.043  -0.773
  588   1HB   ASN  61          2HB       ASN  61   0.902   3.018  -0.407
  589   2HB   ASN  61          3HB       ASN  61   1.451   3.630   1.156
  590   1HD2  ASN  61          2HD2      ASN  61  -2.304   2.559   0.972
  591   2HD2  ASN  61          1HD2      ASN  61  -0.819   1.748   0.482
  592    QB   ASN  61           QB       ASN  61   1.176   3.324   0.375
  593    QD2  ASN  61           QD2      ASN  61  -1.561   2.153   0.727
  594    OH   TYR  62           OH       TYR  62  -4.649  11.676  -5.156
  595    H    TYR  62           HN       TYR  62   1.143   7.170  -1.973
  596    HA   TYR  62           HA       TYR  62  -1.407   6.512  -3.372
  597   1HB   TYR  62          2HB       TYR  62   0.288   8.835  -2.932
  598   2HB   TYR  62          3HB       TYR  62   0.387   8.428  -4.632
  599    HD1  TYR  62           HD2      TYR  62  -2.711   7.590  -4.672
  600    HD2  TYR  62           HD1      TYR  62  -0.345  11.055  -3.816
  601    HE1  TYR  62           HE2      TYR  62  -4.673   9.056  -5.163
  602    HE2  TYR  62           HE1      TYR  62  -2.241  12.517  -4.461
  603    HH   TYR  62           HH       TYR  62  -5.380  11.181  -5.527
  604    QB   TYR  62           QB       TYR  62   0.338   8.632  -3.782
  605    QR   TYR  62           QR       TYR  62  -2.493  10.054  -4.528
   
  Start of MODEL          16
 Raw file had 605 H/Q atoms
  Start of MODEL   16
    1    NH1  ARG   1           NH2      ARG   1   1.359   7.989  10.790
    2    NH2  ARG   1           NH1      ARG   1   2.922   6.470   9.981
    3    H    ARG   1           HN       ARG   1  -3.970   4.530  13.045
    4    HA   ARG   1           HA       ARG   1  -3.306   6.244  11.447
    5   1HB   ARG   1          2HB       ARG   1  -1.901   4.219  11.719
    6   2HB   ARG   1          3HB       ARG   1  -2.831   3.386  10.491
    7   1HG   ARG   1          2HG       ARG   1  -0.775   4.004   9.602
    8   2HG   ARG   1          3HG       ARG   1  -1.972   4.949   8.749
    9   1HD   ARG   1          2HD       ARG   1  -1.109   6.930   9.524
   10   2HD   ARG   1          3HD       ARG   1  -0.906   6.338  11.175
   11    HE   ARG   1           HE       ARG   1   1.017   5.054   9.524
   12   1HH1  ARG   1          2HH2      ARG   1   0.380   8.295  10.816
   13   2HH1  ARG   1          1HH2      ARG   1   2.033   8.727  10.928
   14   1HH2  ARG   1          2HH1      ARG   1   3.067   5.500   9.697
   15   2HH2  ARG   1          1HH1      ARG   1   3.726   7.087  10.032
   16    QB   ARG   1           QB       ARG   1  -2.366   3.802  11.105
   17    QG   ARG   1           QG       ARG   1  -1.373   4.476   9.176
   18    QD   ARG   1           QD       ARG   1  -1.007   6.634  10.349
   19    QH1  ARG   1           QH2      ARG   1   1.206   8.511  10.872
   20    QH2  ARG   1           QH1      ARG   1   3.397   6.294   9.864
   21    H    ILE   2           HN       ILE   2  -3.271   6.740   8.977
   22    HA   ILE   2           HA       ILE   2  -5.811   5.936   7.633
   23    HB   ILE   2           HB       ILE   2  -4.428   8.630   7.488
   24   1HG1  ILE   2          2HG1      ILE   2  -5.471   8.422   9.699
   25   2HG1  ILE   2          3HG1      ILE   2  -6.225   9.639   8.687
   26   1HG2  ILE   2          1HG2      ILE   2  -7.035   7.606   6.290
   27   2HG2  ILE   2          2HG2      ILE   2  -6.517   9.308   6.279
   28   3HG2  ILE   2          3HG2      ILE   2  -5.576   8.085   5.412
   29   1HD1  ILE   2          1HD1      ILE   2  -7.385   6.851   9.119
   30   2HD1  ILE   2          2HD1      ILE   2  -7.866   8.318   9.982
   31   3HD1  ILE   2          3HD1      ILE   2  -8.144   8.198   8.241
   32    QG1  ILE   2           QG1      ILE   2  -5.848   9.030   9.193
   33    QG2  ILE   2           QG2      ILE   2  -6.376   8.333   5.993
   34    QD1  ILE   2           QD1      ILE   2  -7.798   7.789   9.114
   35    H    CYS   3           HN       CYS   3  -5.544   5.268   5.519
   36    HA   CYS   3           HA       CYS   3  -2.947   5.780   4.174
   37   1HB   CYS   3          2HB       CYS   3  -4.236   3.038   4.497
   38   2HB   CYS   3          3HB       CYS   3  -2.934   3.414   3.367
   39    QB   CYS   3           QB       CYS   3  -3.585   3.226   3.932
   40    OH   TYR   4           OH       TYR   4  -4.774  11.553  -0.556
   41    H    TYR   4           HN       TYR   4  -3.152   5.252   1.822
   42    HA   TYR   4           HA       TYR   4  -5.929   5.629   0.821
   43   1HB   TYR   4          2HB       TYR   4  -3.233   5.574  -0.583
   44   2HB   TYR   4          3HB       TYR   4  -4.734   5.529  -1.407
   45    HD1  TYR   4           HD1      TYR   4  -6.537   7.386  -0.638
   46    HD2  TYR   4           HD2      TYR   4  -2.291   7.771  -0.066
   47    HE1  TYR   4           HE1      TYR   4  -6.738   9.839  -0.878
   48    HE2  TYR   4           HE2      TYR   4  -2.535  10.228  -0.067
   49    HH   TYR   4           HH       TYR   4  -3.939  11.986  -0.744
   50    QB   TYR   4           QB       TYR   4  -3.983   5.551  -0.995
   51    QR   TYR   4           QR       TYR   4  -4.525   8.806  -0.412
   52    H    ASN   5           HN       ASN   5  -7.077   4.020  -0.058
   53    HA   ASN   5           HA       ASN   5  -5.711   1.387  -0.492
   54   1HB   ASN   5          2HB       ASN   5  -7.710   0.275   0.060
   55   2HB   ASN   5          3HB       ASN   5  -7.388   1.397   1.389
   56   1HD2  ASN   5          2HD2      ASN   5 -10.956   1.565  -0.289
   57   2HD2  ASN   5          1HD2      ASN   5  -9.877   0.175  -0.181
   58    QB   ASN   5           QB       ASN   5  -7.549   0.836   0.724
   59    QD2  ASN   5           QD2      ASN   5 -10.417   0.870  -0.235
   60    H    HIS   6           HN       HIS   6  -6.232   3.941  -2.197
   61    HA   HIS   6           HA       HIS   6  -8.169   3.097  -4.122
   62   1HB   HIS   6          2HB       HIS   6  -7.141   4.861  -5.580
   63   2HB   HIS   6          3HB       HIS   6  -7.981   5.293  -4.101
   64    HD1  HIS   6           HD1      HIS   6  -6.788   7.404  -3.077
   65    HD2  HIS   6           HD2      HIS   6  -4.198   4.591  -4.797
   66    HE1  HIS   6           HE1      HIS   6  -4.417   8.439  -3.014
   67    HE2  HIS   6           HE2      HIS   6  -2.854   6.708  -3.941
   68    QB   HIS   6           QB       HIS   6  -7.561   5.077  -4.841
   69    H    GLN   7           HN       GLN   7  -8.050   1.895  -5.802
   70    HA   GLN   7           HA       GLN   7  -5.546   0.429  -6.515
   71   1HB   GLN   7          2HB       GLN   7  -7.230  -0.956  -5.481
   72   2HB   GLN   7          3HB       GLN   7  -8.511  -0.270  -6.475
   73   1HG   GLN   7          2HG       GLN   7  -7.646  -1.459  -8.460
   74   2HG   GLN   7          3HG       GLN   7  -6.274  -2.060  -7.502
   75   1HE2  GLN   7          2HE2      GLN   7 -10.003  -3.580  -6.598
   76   2HE2  GLN   7          1HE2      GLN   7  -9.878  -1.882  -7.020
   77    QB   GLN   7           QB       GLN   7  -7.870  -0.613  -5.978
   78    QG   GLN   7           QG       GLN   7  -6.960  -1.760  -7.981
   79    QE2  GLN   7           QE2      GLN   7  -9.941  -2.731  -6.809
   80    H    SER   8           HN       SER   8  -5.669  -0.274  -8.957
   81    HA   SER   8           HA       SER   8  -5.973   1.957 -10.635
   82   1HB   SER   8          2HB       SER   8  -5.737  -0.977 -11.200
   83   2HB   SER   8          3HB       SER   8  -6.083   0.159 -12.515
   84    HG   SER   8           HG       SER   8  -4.267   1.297 -12.121
   85    QB   SER   8           QB       SER   8  -5.910  -0.409 -11.857
   86    H    THR   9           HN       THR   9  -8.324   2.522  -9.818
   87    HA   THR   9           HA       THR   9 -10.321   1.560 -11.764
   88    HB   THR   9           HB       THR   9 -10.565  -0.156 -10.104
   89    HG1  THR   9          1HG       THR   9 -12.560   1.827  -9.885
   90   1HG2  THR   9          2HG2      THR   9  -9.570   0.941  -8.126
   91   2HG2  THR   9          3HG2      THR   9 -10.970   2.020  -7.997
   92   3HG2  THR   9          1HG2      THR   9 -11.175   0.275  -7.780
   93    QG2  THR   9           QG2      THR   9 -10.572   1.079  -7.967
   94    H    THR  10           HN       THR  10  -9.301   3.935 -11.931
   95    HA   THR  10           HA       THR  10  -9.814   6.214 -11.944
   96    HB   THR  10           HB       THR  10 -11.851   6.778 -12.667
   97    HG1  THR  10          1HG       THR  10 -13.691   5.307 -12.340
   98   1HG2  THR  10          1HG2      THR  10 -10.714   5.099 -14.123
   99   2HG2  THR  10          2HG2      THR  10 -11.715   3.824 -13.385
  100   3HG2  THR  10          3HG2      THR  10 -12.477   5.129 -14.309
  101    QG2  THR  10           QG2      THR  10 -11.635   4.684 -13.939
  102    NH1  ARG  11           NH2      ARG  11 -14.450   9.960  -4.881
  103    NH2  ARG  11           NH1      ARG  11 -16.263   8.517  -4.870
  104    H    ARG  11           HN       ARG  11 -12.346   6.871 -10.563
  105    HA   ARG  11           HA       ARG  11 -11.153   8.665  -8.836
  106   1HB   ARG  11          2HB       ARG  11 -13.577   8.656  -9.719
  107   2HB   ARG  11          3HB       ARG  11 -13.973   7.722  -8.263
  108   1HG   ARG  11          2HG       ARG  11 -12.808   9.613  -6.938
  109   2HG   ARG  11          3HG       ARG  11 -12.696  10.498  -8.462
  110   1HD   ARG  11          2HD       ARG  11 -14.657  11.326  -7.304
  111   2HD   ARG  11          3HD       ARG  11 -15.171  10.400  -8.704
  112    HE   ARG  11           HE       ARG  11 -16.265   8.940  -7.350
  113   1HH1  ARG  11          2HH2      ARG  11 -13.824  10.559  -5.396
  114   2HH1  ARG  11          1HH2      ARG  11 -14.277   9.819  -3.896
  115   1HH2  ARG  11          2HH1      ARG  11 -16.998   8.022  -5.356
  116   2HH2  ARG  11          1HH1      ARG  11 -16.197   8.406  -3.870
  117    QB   ARG  11           QB       ARG  11 -13.775   8.189  -8.991
  118    QG   ARG  11           QG       ARG  11 -12.752  10.056  -7.700
  119    QD   ARG  11           QD       ARG  11 -14.914  10.863  -8.004
  120    QH1  ARG  11           QH2      ARG  11 -14.051  10.189  -4.646
  121    QH2  ARG  11           QH1      ARG  11 -16.597   8.214  -4.613
  122    H    ALA  12           HN       ALA  12 -10.442   8.751  -6.796
  123    HA   ALA  12           HA       ALA  12  -9.946   6.125  -5.577
  124   1HB   ALA  12          3HB       ALA  12  -8.528   8.819  -5.667
  125   2HB   ALA  12          1HB       ALA  12  -8.012   7.504  -4.631
  126   3HB   ALA  12          2HB       ALA  12  -8.028   7.272  -6.388
  127    QB   ALA  12           QB       ALA  12  -8.189   7.865  -5.562
  128    H    THR  13           HN       THR  13  -9.537   5.930  -3.238
  129    HA   THR  13           HA       THR  13 -11.133   7.696  -1.471
  130    HB   THR  13           HB       THR  13 -11.772   5.525  -0.356
  131    HG1  THR  13          1HG       THR  13 -10.145   4.174  -1.137
  132   1HG2  THR  13          3HG2      THR  13 -13.286   6.617  -2.017
  133   2HG2  THR  13          1HG2      THR  13 -12.566   5.621  -3.303
  134   3HG2  THR  13          2HG2      THR  13 -13.453   4.849  -1.978
  135    QG2  THR  13           QG2      THR  13 -13.102   5.695  -2.433
  136    H    THR  14           HN       THR  14 -10.317   7.904   0.653
  137    HA   THR  14           HA       THR  14  -7.770   6.642   1.443
  138    HB   THR  14           HB       THR  14  -8.496   7.935   3.606
  139    HG1  THR  14          1HG       THR  14  -9.986   9.592   3.182
  140   1HG2  THR  14          2HG2      THR  14  -6.675   8.714   2.088
  141   2HG2  THR  14          3HG2      THR  14  -7.896   9.599   1.133
  142   3HG2  THR  14          1HG2      THR  14  -7.585  10.050   2.819
  143    QG2  THR  14           QG2      THR  14  -7.385   9.454   2.013
  144    H    LYS  15           HN       LYS  15  -7.832   5.394   3.501
  145    HA   LYS  15           HA       LYS  15 -10.357   4.702   4.685
  146   1HB   LYS  15          2HB       LYS  15  -8.861   2.700   3.001
  147   2HB   LYS  15          3HB       LYS  15  -9.441   2.130   4.534
  148   1HG   LYS  15          2HG       LYS  15 -11.604   3.587   3.280
  149   2HG   LYS  15          3HG       LYS  15 -10.962   2.469   2.114
  150   1HD   LYS  15          2HD       LYS  15 -11.904   1.851   4.963
  151   2HD   LYS  15          3HD       LYS  15 -12.846   1.571   3.507
  152   1HE   LYS  15          2HE       LYS  15 -10.273   0.100   4.302
  153   2HE   LYS  15          3HE       LYS  15 -11.920  -0.526   4.379
  154   1HZ   LYS  15          3HZ       LYS  15 -10.532   0.270   1.922
  155   2HZ   LYS  15          1HZ       LYS  15 -10.760  -1.278   2.435
  156   3HZ   LYS  15          2HZ       LYS  15 -12.050  -0.358   2.000
  157    QB   LYS  15           QB       LYS  15  -9.151   2.415   3.767
  158    QG   LYS  15           QG       LYS  15 -11.283   3.028   2.697
  159    QD   LYS  15           QD       LYS  15 -12.375   1.711   4.235
  160    QE   LYS  15           QE       LYS  15 -11.097  -0.213   4.341
  161    QZ   LYS  15           QZ       LYS  15 -11.114  -0.455   2.119
  162    H    SER  16           HN       SER  16  -9.801   3.229   6.654
  163    HA   SER  16           HA       SER  16  -7.516   4.603   7.934
  164   1HB   SER  16          2HB       SER  16  -9.690   4.525   9.110
  165   2HB   SER  16          3HB       SER  16  -9.496   2.762   9.287
  166    HG   SER  16           HG       SER  16  -7.524   4.648  10.119
  167    QB   SER  16           QB       SER  16  -9.593   3.644   9.199
  168    H    CYS  17           HN       CYS  17  -6.323   3.152   9.559
  169    HA   CYS  17           HA       CYS  17  -5.498   0.548   8.480
  170   1HB   CYS  17          2HB       CYS  17  -4.266   2.063   7.093
  171   2HB   CYS  17          3HB       CYS  17  -3.746   3.003   8.476
  172    QB   CYS  17           QB       CYS  17  -4.006   2.533   7.784
  173    H    GLU  20           HN       GLU  20  -4.556  -0.695   9.979
  174    HA   GLU  20           HA       GLU  20  -4.628   0.135  12.788
  175   1HB   GLU  20          2HB       GLU  20  -4.400  -2.299  13.178
  176   2HB   GLU  20          3HB       GLU  20  -5.782  -1.854  12.180
  177   1HG   GLU  20          2HG       GLU  20  -4.485  -2.562  10.118
  178   2HG   GLU  20          3HG       GLU  20  -3.181  -3.096  11.193
  179    QB   GLU  20           QB       GLU  20  -5.091  -2.076  12.679
  180    QG   GLU  20           QG       GLU  20  -3.833  -2.829  10.656
  181    H    GLU  21           HN       GLU  21  -2.273  -1.246  10.438
  182    HA   GLU  21           HA       GLU  21  -0.007  -1.067  12.183
  183   1HB   GLU  21          2HB       GLU  21  -0.424  -1.491   9.266
  184   2HB   GLU  21          3HB       GLU  21   0.898  -0.510   9.601
  185   1HG   GLU  21          2HG       GLU  21   1.623  -2.381  11.349
  186   2HG   GLU  21          3HG       GLU  21   0.642  -3.413  10.286
  187    QB   GLU  21           QB       GLU  21   0.237  -1.000   9.434
  188    QG   GLU  21           QG       GLU  21   1.133  -2.897  10.817
  189    H    ASN  22           HN       ASN  22   1.845   0.362  11.537
  190    HA   ASN  22           HA       ASN  22   0.965   3.200  11.513
  191   1HB   ASN  22          2HB       ASN  22   2.535   2.389  13.261
  192   2HB   ASN  22          3HB       ASN  22   3.732   2.064  11.996
  193   1HD2  ASN  22          2HD2      ASN  22   4.803   5.449  12.256
  194   2HD2  ASN  22          1HD2      ASN  22   5.234   3.764  12.025
  195    QB   ASN  22           QB       ASN  22   3.134   2.226  12.628
  196    QD2  ASN  22           QD2      ASN  22   5.019   4.606  12.140
  197    H    SER  23           HN       SER  23   2.197   0.742   9.316
  198    HA   SER  23           HA       SER  23   3.365   2.758   7.516
  199   1HB   SER  23          2HB       SER  23   3.327  -0.229   7.111
  200   2HB   SER  23          3HB       SER  23   4.507   0.971   6.550
  201    HG   SER  23           HG       SER  23   4.206  -0.306   8.985
  202    QB   SER  23           QB       SER  23   3.917   0.371   6.831
  203    H    CYS  24           HN       CYS  24   2.896   2.462   5.160
  204    HA   CYS  24           HA       CYS  24   0.232   1.324   4.506
  205   1HB   CYS  24          2HB       CYS  24   1.228   4.000   3.473
  206   2HB   CYS  24          3HB       CYS  24  -0.283   3.175   3.087
  207    QB   CYS  24           QB       CYS  24   0.472   3.587   3.280
  208    OH   TYR  25           OH       TYR  25  -1.962  -5.281   0.946
  209    H    TYR  25           HN       TYR  25   0.194   0.680   2.205
  210    HA   TYR  25           HA       TYR  25   2.850   0.652   0.894
  211   1HB   TYR  25          2HB       TYR  25   2.664  -1.657   0.341
  212   2HB   TYR  25          3HB       TYR  25   2.531  -1.492   2.072
  213    HD1  TYR  25           HD2      TYR  25   0.540  -2.080  -1.074
  214    HD2  TYR  25           HD1      TYR  25   0.505  -2.249   3.214
  215    HE1  TYR  25           HE2      TYR  25  -1.042  -4.014  -1.131
  216    HE2  TYR  25           HE1      TYR  25  -1.205  -4.046   3.117
  217    HH   TYR  25           HH       TYR  25  -2.465  -5.429   1.750
  218    QB   TYR  25           QB       TYR  25   2.598  -1.575   1.206
  219    QR   TYR  25           QR       TYR  25  -0.300  -3.097   1.032
  220    H    LYS  26           HN       LYS  26   2.912   0.081  -1.260
  221    HA   LYS  26           HA       LYS  26   0.437   0.274  -2.873
  222   1HB   LYS  26          2HB       LYS  26   2.027   2.281  -3.149
  223   2HB   LYS  26          3HB       LYS  26   3.225   1.122  -3.731
  224   1HG   LYS  26          2HG       LYS  26   1.393   0.442  -5.486
  225   2HG   LYS  26          3HG       LYS  26   0.585   1.926  -4.999
  226   1HD   LYS  26          2HD       LYS  26   2.724   3.195  -5.558
  227   2HD   LYS  26          3HD       LYS  26   3.442   1.665  -6.048
  228   1HE   LYS  26          2HE       LYS  26   2.748   2.610  -8.090
  229   2HE   LYS  26          3HE       LYS  26   1.534   1.388  -7.732
  230   1HZ   LYS  26          1HZ       LYS  26   1.292   4.287  -7.195
  231   2HZ   LYS  26          2HZ       LYS  26   0.625   3.500  -8.475
  232   3HZ   LYS  26          3HZ       LYS  26   0.116   3.152  -6.948
  233    QB   LYS  26           QB       LYS  26   2.626   1.702  -3.440
  234    QG   LYS  26           QG       LYS  26   0.989   1.184  -5.242
  235    QD   LYS  26           QD       LYS  26   3.083   2.430  -5.803
  236    QE   LYS  26           QE       LYS  26   2.141   1.999  -7.911
  237    QZ   LYS  26           QZ       LYS  26   0.678   3.646  -7.539
  238    H    LYS  27           HN       LYS  27   0.262  -1.467  -4.315
  239    HA   LYS  27           HA       LYS  27   2.602  -3.255  -4.760
  240   1HB   LYS  27          2HB       LYS  27  -0.318  -3.983  -4.390
  241   2HB   LYS  27          3HB       LYS  27   0.892  -5.106  -5.004
  242   1HG   LYS  27          2HG       LYS  27   1.064  -3.791  -2.305
  243   2HG   LYS  27          3HG       LYS  27   0.185  -5.303  -2.586
  244   1HD   LYS  27          2HD       LYS  27   2.291  -6.306  -3.472
  245   2HD   LYS  27          3HD       LYS  27   3.166  -4.845  -3.045
  246   1HE   LYS  27          2HE       LYS  27   1.633  -6.711  -1.124
  247   2HE   LYS  27          3HE       LYS  27   3.389  -6.639  -1.304
  248   1HZ   LYS  27          3HZ       LYS  27   3.163  -4.274  -0.540
  249   2HZ   LYS  27          1HZ       LYS  27   1.620  -4.653  -0.092
  250   3HZ   LYS  27          2HZ       LYS  27   2.911  -5.474   0.550
  251    QB   LYS  27           QB       LYS  27   0.287  -4.545  -4.697
  252    QG   LYS  27           QG       LYS  27   0.624  -4.547  -2.445
  253    QD   LYS  27           QD       LYS  27   2.728  -5.575  -3.258
  254    QE   LYS  27           QE       LYS  27   2.511  -6.675  -1.214
  255    QZ   LYS  27           QZ       LYS  27   2.564  -4.800  -0.027
  256    OH   TYR  28           OH       TYR  28   7.477  -0.158  -7.221
  257    H    TYR  28           HN       TYR  28   2.792  -3.799  -7.080
  258    HA   TYR  28           HA       TYR  28   0.598  -2.988  -8.800
  259   1HB   TYR  28          2HB       TYR  28   2.271  -1.590 -10.062
  260   2HB   TYR  28          3HB       TYR  28   1.614  -0.879  -8.599
  261    HD1  TYR  28           HD1      TYR  28   3.069  -0.866  -6.477
  262    HD2  TYR  28           HD2      TYR  28   4.625  -1.710 -10.409
  263    HE1  TYR  28           HE1      TYR  28   5.330  -0.234  -5.716
  264    HE2  TYR  28           HE2      TYR  28   6.868  -0.989  -9.667
  265    HH   TYR  28           HH       TYR  28   8.137  -0.189  -7.915
  266    QB   TYR  28           QB       TYR  28   1.943  -1.234  -9.331
  267    QR   TYR  28           QR       TYR  28   4.973  -0.950  -8.067
  268    CH2  TRP  29           CH2      TRP  29  -2.837  -6.257  -7.733
  269    H    TRP  29           HN       TRP  29   0.688  -3.874 -10.901
  270    HA   TRP  29           HA       TRP  29   3.016  -5.432 -11.731
  271   1HB   TRP  29          2HB       TRP  29   1.761  -7.522 -11.849
  272   2HB   TRP  29          3HB       TRP  29   1.979  -7.002 -10.191
  273    HD1  TRP  29           HD1      TRP  29  -0.648  -7.697 -12.800
  274    HE1  TRP  29           HE1      TRP  29  -2.979  -7.708 -11.785
  275    HE3  TRP  29           HE3      TRP  29   0.523  -5.864  -8.165
  276    HZ2  TRP  29           HZ2      TRP  29  -4.198  -7.026  -9.226
  277    HZ3  TRP  29           HZ3      TRP  29  -1.243  -5.549  -6.468
  278    HH2  TRP  29           HH2      TRP  29  -3.600  -6.136  -6.977
  279    QB   TRP  29           QB       TRP  29   1.870  -7.262 -11.020
  280    NH1  ARG  30           NH2      ARG  30   4.567  -9.824 -14.321
  281    NH2  ARG  30           NH1      ARG  30   2.269  -9.880 -14.717
  282    H    ARG  30           HN       ARG  30   2.795  -6.196 -13.907
  283    HA   ARG  30           HA       ARG  30   1.037  -4.538 -15.558
  284   1HB   ARG  30          2HB       ARG  30   2.587  -6.243 -17.201
  285   2HB   ARG  30          3HB       ARG  30   2.727  -4.524 -16.893
  286   1HG   ARG  30          2HG       ARG  30   4.862  -5.251 -16.519
  287   2HG   ARG  30          3HG       ARG  30   4.250  -5.078 -14.899
  288   1HD   ARG  30          2HD       ARG  30   5.101  -7.496 -16.451
  289   2HD   ARG  30          3HD       ARG  30   5.315  -7.135 -14.726
  290    HE   ARG  30           HE       ARG  30   2.564  -7.696 -15.624
  291   1HH1  ARG  30          2HH2      ARG  30   5.430  -9.302 -14.328
  292   2HH1  ARG  30          1HH2      ARG  30   4.561 -10.741 -13.901
  293   1HH2  ARG  30          2HH1      ARG  30   1.450  -9.364 -15.054
  294   2HH2  ARG  30          1HH1      ARG  30   2.158 -10.820 -14.371
  295    QB   ARG  30           QB       ARG  30   2.657  -5.383 -17.047
  296    QG   ARG  30           QG       ARG  30   4.556  -5.165 -15.709
  297    QD   ARG  30           QD       ARG  30   5.208  -7.315 -15.589
  298    QH1  ARG  30           QH2      ARG  30   4.995 -10.021 -14.114
  299    QH2  ARG  30           QH1      ARG  30   1.804 -10.092 -14.712
  300    H    ASP  31           HN       ASP  31  -0.947  -5.250 -16.278
  301    HA   ASP  31           HA       ASP  31  -1.475  -7.941 -17.139
  302   1HB   ASP  31          2HB       ASP  31  -1.425  -8.502 -14.770
  303   2HB   ASP  31          3HB       ASP  31  -2.379  -7.055 -14.367
  304    QB   ASP  31           QB       ASP  31  -1.902  -7.779 -14.569
  305    H    HIS  32           HN       HIS  32  -3.890  -8.142 -17.460
  306    HA   HIS  32           HA       HIS  32  -5.870  -7.476 -18.297
  307   1HB   HIS  32          2HB       HIS  32  -6.070  -6.856 -15.981
  308   2HB   HIS  32          3HB       HIS  32  -5.343  -5.277 -16.268
  309    HD1  HIS  32           HD1      HIS  32  -7.094  -3.452 -16.183
  310    HD2  HIS  32           HD2      HIS  32  -8.499  -7.133 -17.699
  311    HE1  HIS  32           HE1      HIS  32  -9.606  -3.144 -16.629
  312    HE2  HIS  32           HE2      HIS  32 -10.451  -5.391 -17.554
  313    QB   HIS  32           QB       HIS  32  -5.706  -6.067 -16.124
  314    NH1  ARG  33           NH2      ARG  33 -10.497  -1.473 -22.419
  315    NH2  ARG  33           NH1      ARG  33 -11.091  -3.600 -23.123
  316    H    ARG  33           HN       ARG  33  -4.354  -4.262 -17.957
  317    HA   ARG  33           HA       ARG  33  -4.300  -3.840 -20.829
  318   1HB   ARG  33          2HB       ARG  33  -6.157  -2.096 -19.138
  319   2HB   ARG  33          3HB       ARG  33  -5.636  -1.745 -20.791
  320   1HG   ARG  33          2HG       ARG  33  -6.621  -3.945 -21.519
  321   2HG   ARG  33          3HG       ARG  33  -7.381  -4.072 -19.918
  322   1HD   ARG  33          2HD       ARG  33  -8.601  -1.985 -20.294
  323   2HD   ARG  33          3HD       ARG  33  -7.744  -1.741 -21.839
  324    HE   ARG  33           HE       ARG  33  -8.976  -4.280 -21.934
  325   1HH1  ARG  33          2HH2      ARG  33  -9.851  -0.867 -21.938
  326   2HH1  ARG  33          1HH2      ARG  33 -11.300  -1.061 -22.871
  327   1HH2  ARG  33          2HH1      ARG  33 -10.907  -4.592 -23.181
  328   2HH2  ARG  33          1HH1      ARG  33 -11.912  -3.244 -23.590
  329    QB   ARG  33           QB       ARG  33  -5.897  -1.921 -19.964
  330    QG   ARG  33           QG       ARG  33  -7.001  -4.008 -20.718
  331    QD   ARG  33           QD       ARG  33  -8.172  -1.863 -21.066
  332    QH1  ARG  33           QH2      ARG  33 -10.576  -0.964 -22.404
  333    QH2  ARG  33           QH1      ARG  33 -11.410  -3.918 -23.386
  334    H    GLY  34           HN       GLY  34  -2.561  -3.690 -18.105
  335   1HA   GLY  34          1HA       GLY  34  -0.588  -1.973 -18.937
  336   2HA   GLY  34          2HA       GLY  34  -1.759  -0.894 -18.159
  337    QA   GLY  34           QA       GLY  34  -1.173  -1.434 -18.548
  338    H    THR  35           HN       THR  35   0.051  -0.502 -16.635
  339    HA   THR  35           HA       THR  35   0.620  -2.552 -14.659
  340    HB   THR  35           HB       THR  35   0.919   0.426 -14.346
  341    HG1  THR  35          1HG       THR  35   2.633  -1.491 -15.558
  342   1HG2  THR  35          2HG2      THR  35   1.214  -0.953 -12.288
  343   2HG2  THR  35          3HG2      THR  35   2.410  -1.962 -13.131
  344   3HG2  THR  35          1HG2      THR  35   2.746  -0.246 -12.829
  345    QG2  THR  35           QG2      THR  35   2.123  -1.054 -12.749
  346    H    ILE  36           HN       ILE  36  -1.064  -3.351 -13.474
  347    HA   ILE  36           HA       ILE  36  -3.264  -1.658 -12.520
  348    HB   ILE  36           HB       ILE  36  -2.410  -4.524 -12.022
  349   1HG1  ILE  36          2HG1      ILE  36  -4.948  -3.211 -13.126
  350   2HG1  ILE  36          3HG1      ILE  36  -3.648  -3.901 -14.109
  351   1HG2  ILE  36          2HG2      ILE  36  -4.615  -2.990 -10.575
  352   2HG2  ILE  36          3HG2      ILE  36  -4.382  -4.741 -10.509
  353   3HG2  ILE  36          1HG2      ILE  36  -3.163  -3.690  -9.831
  354   1HD1  ILE  36          2HD1      ILE  36  -4.086  -6.135 -13.028
  355   2HD1  ILE  36          3HD1      ILE  36  -5.518  -5.427 -12.245
  356   3HD1  ILE  36          1HD1      ILE  36  -5.428  -5.505 -13.998
  357    QG1  ILE  36           QG1      ILE  36  -4.298  -3.556 -13.618
  358    QG2  ILE  36           QG2      ILE  36  -4.053  -3.807 -10.305
  359    QD1  ILE  36           QD1      ILE  36  -5.010  -5.689 -13.090
  360    H    ILE  37           HN       ILE  37  -3.260  -0.577 -10.685
  361    HA   ILE  37           HA       ILE  37  -0.991  -0.617  -8.771
  362    HB   ILE  37           HB       ILE  37  -3.226   1.419  -9.437
  363   1HG1  ILE  37          2HG1      ILE  37  -1.300   2.990  -9.681
  364   2HG1  ILE  37          3HG1      ILE  37  -0.161   1.665  -9.380
  365   1HG2  ILE  37          3HG2      ILE  37  -1.239   1.348  -7.104
  366   2HG2  ILE  37          1HG2      ILE  37  -2.155   2.792  -7.581
  367   3HG2  ILE  37          2HG2      ILE  37  -3.010   1.373  -6.996
  368   1HD1  ILE  37          2HD1      ILE  37  -2.061   1.747 -11.746
  369   2HD1  ILE  37          3HD1      ILE  37  -0.401   2.368 -11.766
  370   3HD1  ILE  37          1HD1      ILE  37  -0.672   0.652 -11.482
  371    QG1  ILE  37           QG1      ILE  37  -0.730   2.328  -9.530
  372    QG2  ILE  37           QG2      ILE  37  -2.134   1.838  -7.227
  373    QD1  ILE  37           QD1      ILE  37  -1.045   1.589 -11.665
  374    H    GLU  38           HN       GLU  38  -1.461  -1.370  -6.717
  375    HA   GLU  38           HA       GLU  38  -4.245  -1.317  -5.764
  376   1HB   GLU  38          2HB       GLU  38  -3.776  -3.646  -6.328
  377   2HB   GLU  38          3HB       GLU  38  -2.293  -3.626  -5.381
  378   1HG   GLU  38          2HG       GLU  38  -5.024  -3.054  -4.137
  379   2HG   GLU  38          3HG       GLU  38  -4.421  -4.695  -4.373
  380    QB   GLU  38           QB       GLU  38  -3.035  -3.636  -5.854
  381    QG   GLU  38           QG       GLU  38  -4.723  -3.874  -4.255
  382    NH1  ARG  39           NH2      ARG  39   0.746   4.712  -3.645
  383    NH2  ARG  39           NH1      ARG  39  -0.005   5.651  -5.596
  384    H    ARG  39           HN       ARG  39  -4.223  -0.817  -3.387
  385    HA   ARG  39           HA       ARG  39  -1.642  -0.165  -2.236
  386   1HB   ARG  39          2HB       ARG  39  -3.995   1.781  -2.559
  387   2HB   ARG  39          3HB       ARG  39  -2.647   1.953  -1.436
  388   1HG   ARG  39          2HG       ARG  39  -1.116   1.764  -3.534
  389   2HG   ARG  39          3HG       ARG  39  -2.596   2.069  -4.473
  390   1HD   ARG  39          2HD       ARG  39  -2.950   4.052  -2.840
  391   2HD   ARG  39          3HD       ARG  39  -1.352   3.728  -2.258
  392    HE   ARG  39           HE       ARG  39  -2.204   4.914  -4.825
  393   1HH1  ARG  39          2HH2      ARG  39   0.613   4.128  -2.837
  394   2HH1  ARG  39          1HH2      ARG  39   1.414   5.496  -3.605
  395   1HH2  ARG  39          2HH1      ARG  39  -0.733   5.877  -6.253
  396   2HH2  ARG  39          1HH1      ARG  39   0.626   6.454  -5.423
  397    QB   ARG  39           QB       ARG  39  -3.321   1.867  -1.998
  398    QG   ARG  39           QG       ARG  39  -1.856   1.916  -4.004
  399    QD   ARG  39           QD       ARG  39  -2.151   3.890  -2.549
  400    QH1  ARG  39           QH2      ARG  39   1.013   4.812  -3.221
  401    QH2  ARG  39           QH1      ARG  39  -0.054   6.165  -5.838
  402    H    GLY  40           HN       GLY  40  -1.718  -0.190   0.040
  403   1HA   GLY  40          1HA       GLY  40  -4.252  -0.722   1.382
  404   2HA   GLY  40          2HA       GLY  40  -3.216  -2.155   1.214
  405    QA   GLY  40           QA       GLY  40  -3.734  -1.438   1.298
  406    H    CYS  41           HN       CYS  41  -3.359  -1.951   3.601
  407    HA   CYS  41           HA       CYS  41  -1.798   0.259   4.826
  408   1HB   CYS  41          2HB       CYS  41  -3.710   0.383   5.800
  409   2HB   CYS  41          3HB       CYS  41  -4.197  -1.327   5.597
  410    QB   CYS  41           QB       CYS  41  -3.953  -0.472   5.699
  411    H    GLY  42           HN       GLY  42  -0.463  -0.128   6.480
  412   1HA   GLY  42          1HA       GLY  42   1.271  -1.186   7.563
  413   2HA   GLY  42          2HA       GLY  42   0.495  -2.751   7.242
  414    QA   GLY  42           QA       GLY  42   0.883  -1.969   7.402
  415    H    CYS  43           HN       CYS  43   2.524  -3.800   6.630
  416    HA   CYS  43           HA       CYS  43   3.328  -3.146   3.833
  417   1HB   CYS  43          2HB       CYS  43   4.787  -1.784   5.303
  418   2HB   CYS  43          3HB       CYS  43   5.322  -3.263   6.110
  419    QB   CYS  43           QB       CYS  43   5.055  -2.523   5.707
  420    HA   PRO  44           HA       PRO  44   3.540  -7.655   4.482
  421   1HB   PRO  44          2HB       PRO  44   1.580  -8.563   2.816
  422   2HB   PRO  44          3HB       PRO  44   1.222  -7.894   4.435
  423   1HG   PRO  44          2HG       PRO  44   1.070  -6.499   1.759
  424   2HG   PRO  44          3HG       PRO  44  -0.137  -6.478   3.069
  425   1HD   PRO  44          2HD       PRO  44   1.812  -4.513   2.668
  426   2HD   PRO  44          3HD       PRO  44   1.072  -4.853   4.261
  427    QB   PRO  44           QB       PRO  44   1.401  -8.228   3.625
  428    QG   PRO  44           QG       PRO  44   0.467  -6.488   2.414
  429    QD   PRO  44           QD       PRO  44   1.442  -4.683   3.464
  430    H    LYS  45           HN       LYS  45   4.419  -9.218   2.970
  431    HA   LYS  45           HA       LYS  45   5.817  -8.127   0.621
  432   1HB   LYS  45          2HB       LYS  45   7.082  -9.328   2.240
  433   2HB   LYS  45          3HB       LYS  45   5.963 -10.704   2.223
  434   1HG   LYS  45          2HG       LYS  45   6.688 -11.325  -0.010
  435   2HG   LYS  45          3HG       LYS  45   7.763  -9.925  -0.120
  436   1HD   LYS  45          2HD       LYS  45   7.912 -12.255   1.863
  437   2HD   LYS  45          3HD       LYS  45   8.855 -12.135   0.389
  438   1HE   LYS  45          2HE       LYS  45   9.078 -10.274   2.810
  439   2HE   LYS  45          3HE       LYS  45  10.181 -11.580   2.382
  440   1HZ   LYS  45          2HZ       LYS  45  10.716 -10.415   0.355
  441   2HZ   LYS  45          3HZ       LYS  45   9.708  -9.174   0.757
  442   3HZ   LYS  45          1HZ       LYS  45  11.036  -9.487   1.671
  443    QB   LYS  45           QB       LYS  45   6.523 -10.016   2.232
  444    QG   LYS  45           QG       LYS  45   7.225 -10.625  -0.065
  445    QD   LYS  45           QD       LYS  45   8.383 -12.195   1.126
  446    QE   LYS  45           QE       LYS  45   9.630 -10.927   2.596
  447    QZ   LYS  45           QZ       LYS  45  10.486  -9.692   0.928
  448    H    VAL  46           HN       VAL  46   5.954  -9.604  -1.292
  449    HA   VAL  46           HA       VAL  46   3.648 -11.306  -1.891
  450    HB   VAL  46           HB       VAL  46   3.503 -10.176  -4.215
  451   1HG1  VAL  46          2HG1      VAL  46   2.427  -8.735  -1.791
  452   2HG1  VAL  46          3HG1      VAL  46   1.834  -8.577  -3.462
  453   3HG1  VAL  46          1HG1      VAL  46   1.701 -10.121  -2.613
  454   1HG2  VAL  46          2HG2      VAL  46   5.519  -8.756  -4.036
  455   2HG2  VAL  46          3HG2      VAL  46   4.057  -7.825  -4.371
  456   3HG2  VAL  46          1HG2      VAL  46   4.748  -7.816  -2.745
  457    QG1  VAL  46           QG1      VAL  46   1.987  -9.144  -2.622
  458    QG2  VAL  46           QG2      VAL  46   4.775  -8.132  -3.717
  459    QQG  VAL  46           QQG      VAL  46   3.381  -8.638  -3.170
  460    H    LYS  47           HN       LYS  47   4.099 -12.116  -4.296
  461    HA   LYS  47           HA       LYS  47   6.653 -13.521  -4.229
  462   1HB   LYS  47          2HB       LYS  47   4.068 -13.708  -5.628
  463   2HB   LYS  47          3HB       LYS  47   5.348 -13.897  -6.746
  464   1HG   LYS  47          2HG       LYS  47   4.753 -16.053  -6.008
  465   2HG   LYS  47          3HG       LYS  47   6.298 -15.723  -5.207
  466   1HD   LYS  47          2HD       LYS  47   5.040 -15.014  -3.149
  467   2HD   LYS  47          3HD       LYS  47   3.525 -15.463  -3.930
  468   1HE   LYS  47          2HE       LYS  47   5.875 -17.336  -3.305
  469   2HE   LYS  47          3HE       LYS  47   4.384 -17.207  -2.368
  470   1HZ   LYS  47          2HZ       LYS  47   3.174 -17.978  -4.316
  471   2HZ   LYS  47          3HZ       LYS  47   4.582 -18.155  -5.153
  472   3HZ   LYS  47          1HZ       LYS  47   4.295 -19.067  -3.821
  473    QB   LYS  47           QB       LYS  47   4.708 -13.802  -6.187
  474    QG   LYS  47           QG       LYS  47   5.526 -15.888  -5.607
  475    QD   LYS  47           QD       LYS  47   4.282 -15.239  -3.540
  476    QE   LYS  47           QE       LYS  47   5.130 -17.272  -2.836
  477    QZ   LYS  47           QZ       LYS  47   4.017 -18.400  -4.430
  478    HA   PRO  48           HA       PRO  48   8.861 -10.814  -6.888
  479   1HB   PRO  48          2HB       PRO  48  10.302 -12.398  -8.577
  480   2HB   PRO  48          3HB       PRO  48  10.532 -12.428  -6.807
  481   1HG   PRO  48          2HG       PRO  48   8.951 -14.351  -8.502
  482   2HG   PRO  48          3HG       PRO  48  10.076 -14.726  -7.168
  483   1HD   PRO  48          2HD       PRO  48   7.318 -14.560  -6.970
  484   2HD   PRO  48          3HD       PRO  48   8.358 -14.305  -5.555
  485    QB   PRO  48           QB       PRO  48  10.417 -12.413  -7.692
  486    QG   PRO  48           QG       PRO  48   9.513 -14.538  -7.835
  487    QD   PRO  48           QD       PRO  48   7.838 -14.432  -6.262
  488    H    GLY  49           HN       GLY  49   9.173 -10.041  -9.196
  489   1HA   GLY  49          1HA       GLY  49   8.301  -9.308 -11.153
  490   2HA   GLY  49          2HA       GLY  49   7.434 -10.845 -11.271
  491    QA   GLY  49           QA       GLY  49   7.867 -10.076 -11.212
  492    H    VAL  50           HN       VAL  50   6.816  -9.082  -8.370
  493    HA   VAL  50           HA       VAL  50   4.512  -7.543  -9.431
  494    HB   VAL  50           HB       VAL  50   4.627  -9.218  -6.860
  495   1HG1  VAL  50          1HG1      VAL  50   2.418  -7.421  -7.953
  496   2HG1  VAL  50          2HG1      VAL  50   2.312  -8.451  -6.513
  497   3HG1  VAL  50          3HG1      VAL  50   3.416  -7.071  -6.532
  498   1HG2  VAL  50          1HG2      VAL  50   2.931  -9.517  -9.375
  499   2HG2  VAL  50          2HG2      VAL  50   4.187 -10.640  -8.807
  500   3HG2  VAL  50          3HG2      VAL  50   2.706 -10.428  -7.866
  501    QG1  VAL  50           QG1      VAL  50   2.715  -7.648  -6.999
  502    QG2  VAL  50           QG2      VAL  50   3.275 -10.195  -8.683
  503    QQG  VAL  50           QQG      VAL  50   2.995  -8.921  -7.841
  504    H    GLY  51           HN       GLY  51   4.965  -5.386  -8.961
  505   1HA   GLY  51          1HA       GLY  51   7.264  -4.805  -7.387
  506   2HA   GLY  51          2HA       GLY  51   6.291  -3.603  -8.194
  507    QA   GLY  51           QA       GLY  51   6.778  -4.204  -7.791
  508    H    ILE  52           HN       ILE  52   7.155  -3.137  -5.746
  509    HA   ILE  52           HA       ILE  52   4.779  -2.949  -4.085
  510    HB   ILE  52           HB       ILE  52   5.575  -5.217  -3.651
  511   1HG1  ILE  52          2HG1      ILE  52   4.628  -3.623  -1.811
  512   2HG1  ILE  52          3HG1      ILE  52   5.210  -5.259  -1.458
  513   1HG2  ILE  52          1HG2      ILE  52   7.946  -5.024  -4.152
  514   2HG2  ILE  52          2HG2      ILE  52   8.205  -4.015  -2.719
  515   3HG2  ILE  52          3HG2      ILE  52   7.697  -5.708  -2.541
  516   1HD1  ILE  52          2HD1      ILE  52   7.282  -4.389  -0.517
  517   2HD1  ILE  52          3HD1      ILE  52   6.753  -2.722  -0.841
  518   3HD1  ILE  52          1HD1      ILE  52   5.846  -3.755   0.272
  519    QG1  ILE  52           QG1      ILE  52   4.919  -4.441  -1.635
  520    QG2  ILE  52           QG2      ILE  52   7.949  -4.916  -3.138
  521    QD1  ILE  52           QD1      ILE  52   6.627  -3.622  -0.362
  522    H    HIS  53           HN       HIS  53   4.984  -1.309  -2.488
  523    HA   HIS  53           HA       HIS  53   7.633  -0.393  -1.750
  524   1HB   HIS  53          2HB       HIS  53   7.165   0.952  -3.819
  525   2HB   HIS  53          3HB       HIS  53   5.686   1.551  -3.066
  526    HD1  HIS  53           HD1      HIS  53   6.545   4.087  -3.148
  527    HD2  HIS  53           HD2      HIS  53   9.112   1.379  -1.167
  528    HE1  HIS  53           HE1      HIS  53   8.345   5.494  -1.980
  529    HE2  HIS  53           HE2      HIS  53   9.868   3.837  -0.743
  530    QB   HIS  53           QB       HIS  53   6.425   1.251  -3.443
  531    H    CYS  54           HN       CYS  54   7.521   0.746   0.313
  532    HA   CYS  54           HA       CYS  54   4.871   0.921   1.604
  533   1HB   CYS  54          2HB       CYS  54   7.362  -0.408   2.735
  534   2HB   CYS  54          3HB       CYS  54   5.923   0.010   3.663
  535    QB   CYS  54           QB       CYS  54   6.642  -0.199   3.199
  536    H    CYS  55           HN       CYS  55   4.905   2.418   3.438
  537    HA   CYS  55           HA       CYS  55   7.310   3.869   4.098
  538   1HB   CYS  55          2HB       CYS  55   6.275   6.087   3.475
  539   2HB   CYS  55          3HB       CYS  55   6.912   5.120   2.161
  540    QB   CYS  55           QB       CYS  55   6.593   5.603   2.818
  541    H    GLN  56           HN       GLN  56   6.881   5.410   5.770
  542    HA   GLN  56           HA       GLN  56   4.748   4.418   7.602
  543   1HB   GLN  56          2HB       GLN  56   7.445   5.570   8.382
  544   2HB   GLN  56          3HB       GLN  56   6.287   4.661   9.352
  545   1HG   GLN  56          2HG       GLN  56   7.843   3.052   8.946
  546   2HG   GLN  56          3HG       GLN  56   6.707   2.714   7.635
  547   1HE2  GLN  56          2HE2      GLN  56  10.308   2.772   6.406
  548   2HE2  GLN  56          1HE2      GLN  56   9.476   1.888   7.669
  549    QB   GLN  56           QB       GLN  56   6.866   5.115   8.867
  550    QG   GLN  56           QG       GLN  56   7.275   2.883   8.290
  551    QE2  GLN  56           QE2      GLN  56   9.892   2.330   7.038
  552    H    SER  57           HN       SER  57   3.875   6.567   6.039
  553    HA   SER  57           HA       SER  57   3.457   8.539   8.218
  554   1HB   SER  57          2HB       SER  57   3.404   9.940   5.693
  555   2HB   SER  57          3HB       SER  57   4.301  10.295   7.161
  556    HG   SER  57           HG       SER  57   5.887   8.771   6.451
  557    QB   SER  57           QB       SER  57   3.852  10.117   6.427
  558    H    ASP  58           HN       ASP  58   1.414   9.596   8.156
  559    HA   ASP  58           HA       ASP  58  -0.718   7.944   7.418
  560   1HB   ASP  58          2HB       ASP  58  -0.879  10.971   7.729
  561   2HB   ASP  58          3HB       ASP  58  -2.103   9.759   8.149
  562    QB   ASP  58           QB       ASP  58  -1.491  10.365   7.939
  563    H    LYS  59           HN       LYS  59  -1.751   7.671   5.473
  564    HA   LYS  59           HA       LYS  59  -2.267   7.879   3.240
  565   1HB   LYS  59          2HB       LYS  59  -1.774  10.830   3.755
  566   2HB   LYS  59          3HB       LYS  59  -2.653  10.170   2.376
  567   1HG   LYS  59          2HG       LYS  59  -4.503   9.554   3.641
  568   2HG   LYS  59          3HG       LYS  59  -3.619   9.561   5.166
  569   1HD   LYS  59          2HD       LYS  59  -5.199  11.443   4.932
  570   2HD   LYS  59          3HD       LYS  59  -3.553  11.923   5.322
  571   1HE   LYS  59          2HE       LYS  59  -4.637  11.979   2.454
  572   2HE   LYS  59          3HE       LYS  59  -4.880  13.312   3.591
  573   1HZ   LYS  59          2HZ       LYS  59  -2.479  13.472   3.831
  574   2HZ   LYS  59          3HZ       LYS  59  -2.273  12.344   2.658
  575   3HZ   LYS  59          1HZ       LYS  59  -2.991  13.775   2.301
  576    QB   LYS  59           QB       LYS  59  -2.213  10.500   3.066
  577    QG   LYS  59           QG       LYS  59  -4.061   9.557   4.404
  578    QD   LYS  59           QD       LYS  59  -4.376  11.683   5.127
  579    QE   LYS  59           QE       LYS  59  -4.759  12.646   3.022
  580    QZ   LYS  59           QZ       LYS  59  -2.581  13.197   2.930
  581    H    CYS  60           HN       CYS  60   0.803   7.820   4.117
  582    HA   CYS  60           HA       CYS  60   2.211   9.362   2.225
  583   1HB   CYS  60          2HB       CYS  60   4.137   8.074   2.793
  584   2HB   CYS  60          3HB       CYS  60   3.165   8.262   4.233
  585    QB   CYS  60           QB       CYS  60   3.651   8.168   3.513
  586    H    ASN  61           HN       ASN  61   0.645   6.234   1.857
  587    HA   ASN  61           HA       ASN  61   1.962   5.604  -0.652
  588   1HB   ASN  61          2HB       ASN  61   0.584   3.665  -0.707
  589   2HB   ASN  61          3HB       ASN  61   1.261   3.841   0.903
  590   1HD2  ASN  61          2HD2      ASN  61  -2.430   2.886   0.960
  591   2HD2  ASN  61          1HD2      ASN  61  -0.985   2.204   0.252
  592    QB   ASN  61           QB       ASN  61   0.923   3.753   0.098
  593    QD2  ASN  61           QD2      ASN  61  -1.707   2.545   0.606
  594    OH   TYR  62           OH       TYR  62  -5.045  12.371  -4.587
  595    H    TYR  62           HN       TYR  62   1.252   7.974  -1.248
  596    HA   TYR  62           HA       TYR  62  -1.163   7.655  -3.026
  597   1HB   TYR  62          2HB       TYR  62  -0.724   9.704  -1.347
  598   2HB   TYR  62          3HB       TYR  62   0.360  10.243  -2.609
  599    HD1  TYR  62           HD1      TYR  62  -2.089   8.946  -4.667
  600    HD2  TYR  62           HD2      TYR  62  -1.499  12.073  -1.756
  601    HE1  TYR  62           HE1      TYR  62  -4.106  10.089  -5.485
  602    HE2  TYR  62           HE2      TYR  62  -3.428  13.303  -2.703
  603    HH   TYR  62           HH       TYR  62  -5.159  13.254  -4.229
  604    QB   TYR  62           QB       TYR  62  -0.182   9.974  -1.978
  605    QR   TYR  62           QR       TYR  62  -2.780  11.103  -3.653
   
  Start of MODEL          17
 Raw file had 605 H/Q atoms
  Start of MODEL   17
    1    NH1  ARG   1           NH2      ARG   1   1.898   8.258  10.380
    2    NH2  ARG   1           NH1      ARG   1   3.339   6.454  10.509
    3    H    ARG   1           HN       ARG   1  -4.163   5.253  12.263
    4    HA   ARG   1           HA       ARG   1  -2.557   6.527  10.949
    5   1HB   ARG   1          2HB       ARG   1  -1.036   4.479  10.740
    6   2HB   ARG   1          3HB       ARG   1  -2.175   3.814   9.571
    7   1HG   ARG   1          2HG       ARG   1  -0.371   4.701   8.325
    8   2HG   ARG   1          3HG       ARG   1  -1.702   5.826   8.096
    9   1HD   ARG   1          2HD       ARG   1   0.072   7.219   8.524
   10   2HD   ARG   1          3HD       ARG   1  -0.657   7.132  10.136
   11    HE   ARG   1           HE       ARG   1   1.394   5.133   9.758
   12   1HH1  ARG   1          2HH2      ARG   1   0.974   8.655  10.162
   13   2HH1  ARG   1          1HH2      ARG   1   2.601   8.891  10.721
   14   1HH2  ARG   1          2HH1      ARG   1   3.515   5.445  10.469
   15   2HH2  ARG   1          1HH1      ARG   1   4.159   7.041  10.419
   16    QB   ARG   1           QB       ARG   1  -1.606   4.146  10.156
   17    QG   ARG   1           QG       ARG   1  -1.036   5.264   8.210
   18    QD   ARG   1           QD       ARG   1  -0.292   7.176   9.330
   19    QH1  ARG   1           QH2      ARG   1   1.787   8.773  10.441
   20    QH2  ARG   1           QH1      ARG   1   3.837   6.243  10.444
   21    H    ILE   2           HN       ILE   2  -3.279   7.419   8.776
   22    HA   ILE   2           HA       ILE   2  -5.716   6.056   7.681
   23    HB   ILE   2           HB       ILE   2  -5.159   9.029   7.769
   24   1HG1  ILE   2          2HG1      ILE   2  -6.991   7.274   9.478
   25   2HG1  ILE   2          3HG1      ILE   2  -5.645   8.289  10.029
   26   1HG2  ILE   2          2HG2      ILE   2  -6.500   8.240   5.815
   27   2HG2  ILE   2          3HG2      ILE   2  -7.679   7.534   6.939
   28   3HG2  ILE   2          1HG2      ILE   2  -7.415   9.291   6.883
   29   1HD1  ILE   2          2HD1      ILE   2  -6.927  10.313   9.279
   30   2HD1  ILE   2          3HD1      ILE   2  -8.323   9.247   8.966
   31   3HD1  ILE   2          1HD1      ILE   2  -7.675   9.393  10.604
   32    QG1  ILE   2           QG1      ILE   2  -6.318   7.781   9.754
   33    QG2  ILE   2           QG2      ILE   2  -7.198   8.355   6.546
   34    QD1  ILE   2           QD1      ILE   2  -7.641   9.651   9.616
   35    H    CYS   3           HN       CYS   3  -5.650   5.598   5.552
   36    HA   CYS   3           HA       CYS   3  -3.412   6.617   3.886
   37   1HB   CYS   3          2HB       CYS   3  -3.615   3.829   5.034
   38   2HB   CYS   3          3HB       CYS   3  -2.851   4.078   3.476
   39    QB   CYS   3           QB       CYS   3  -3.233   3.954   4.255
   40    OH   TYR   4           OH       TYR   4  -3.964  11.600  -0.881
   41    H    TYR   4           HN       TYR   4  -3.401   5.563   1.727
   42    HA   TYR   4           HA       TYR   4  -6.083   5.900   0.631
   43   1HB   TYR   4          2HB       TYR   4  -3.353   5.497  -0.578
   44   2HB   TYR   4          3HB       TYR   4  -4.813   5.593  -1.521
   45    HD1  TYR   4           HD1      TYR   4  -6.368   7.750  -1.039
   46    HD2  TYR   4           HD2      TYR   4  -2.141   7.494  -0.195
   47    HE1  TYR   4           HE1      TYR   4  -6.186  10.210  -1.182
   48    HE2  TYR   4           HE2      TYR   4  -1.952   9.939  -0.524
   49    HH   TYR   4           HH       TYR   4  -3.051  11.890  -0.941
   50    QB   TYR   4           QB       TYR   4  -4.083   5.545  -1.050
   51    QR   TYR   4           QR       TYR   4  -4.162   8.848  -0.735
   52    H    ASN   5           HN       ASN   5  -7.284   4.341  -0.403
   53    HA   ASN   5           HA       ASN   5  -6.277   1.503  -0.379
   54   1HB   ASN   5          2HB       ASN   5  -8.303   0.692   0.523
   55   2HB   ASN   5          3HB       ASN   5  -7.655   1.893   1.642
   56   1HD2  ASN   5          2HD2      ASN   5 -10.325   4.276   0.948
   57   2HD2  ASN   5          1HD2      ASN   5  -8.584   4.233   1.196
   58    QB   ASN   5           QB       ASN   5  -7.979   1.293   1.082
   59    QD2  ASN   5           QD2      ASN   5  -9.454   4.255   1.072
   60    H    HIS   6           HN       HIS   6  -7.106   3.935  -2.355
   61    HA   HIS   6           HA       HIS   6  -9.136   2.710  -4.018
   62   1HB   HIS   6          2HB       HIS   6  -8.544   4.434  -5.673
   63   2HB   HIS   6          3HB       HIS   6  -8.884   5.038  -4.057
   64    HD1  HIS   6           HD1      HIS   6  -6.253   5.343  -6.696
   65    HD2  HIS   6           HD2      HIS   6  -6.849   6.031  -2.591
   66    HE1  HIS   6           HE1      HIS   6  -4.319   6.942  -5.887
   67    HE2  HIS   6           HE2      HIS   6  -4.697   7.289  -3.420
   68    QB   HIS   6           QB       HIS   6  -8.714   4.736  -4.865
   69    H    GLN   7           HN       GLN   7  -8.706   2.014  -6.311
   70    HA   GLN   7           HA       GLN   7  -6.334   0.202  -6.308
   71   1HB   GLN   7          2HB       GLN   7  -8.767  -0.584  -6.411
   72   2HB   GLN   7          3HB       GLN   7  -8.821   0.032  -8.057
   73   1HG   GLN   7          2HG       GLN   7  -7.340  -1.675  -8.814
   74   2HG   GLN   7          3HG       GLN   7  -6.619  -1.888  -7.207
   75   1HE2  GLN   7          2HE2      GLN   7  -8.905  -4.410  -6.280
   76   2HE2  GLN   7          1HE2      GLN   7  -7.462  -3.483  -5.865
   77    QB   GLN   7           QB       GLN   7  -8.794  -0.276  -7.234
   78    QG   GLN   7           QG       GLN   7  -6.979  -1.782  -8.011
   79    QE2  GLN   7           QE2      GLN   7  -8.184  -3.947  -6.073
   80    H    SER   8           HN       SER   8  -6.309  -0.141  -9.123
   81    HA   SER   8           HA       SER   8  -4.976   2.092 -10.241
   82   1HB   SER   8          2HB       SER   8  -6.685  -0.092 -11.551
   83   2HB   SER   8          3HB       SER   8  -5.546   0.941 -12.412
   84    HG   SER   8           HG       SER   8  -4.818  -0.759 -10.215
   85    QB   SER   8           QB       SER   8  -6.116   0.424 -11.982
   86    H    THR   9           HN       THR   9  -5.662   3.855 -11.321
   87    HA   THR   9           HA       THR   9  -7.049   5.596 -11.917
   88    HB   THR   9           HB       THR   9  -8.393   4.722 -13.953
   89    HG1  THR   9          1HG       THR   9  -8.017   2.587 -14.467
   90   1HG2  THR   9          2HG2      THR   9  -5.431   4.020 -13.695
   91   2HG2  THR   9          3HG2      THR   9  -6.327   4.237 -15.208
   92   3HG2  THR   9          1HG2      THR   9  -6.093   5.615 -14.119
   93    QG2  THR   9           QG2      THR   9  -5.950   4.624 -14.340
   94    H    THR  10           HN       THR  10  -8.125   4.626  -9.464
   95    HA   THR  10           HA       THR  10 -11.030   5.179  -9.917
   96    HB   THR  10           HB       THR  10 -11.230   3.710  -7.751
   97    HG1  THR  10          1HG       THR  10  -8.912   2.593  -8.903
   98   1HG2  THR  10          3HG2      THR  10 -10.641   2.547 -10.520
   99   2HG2  THR  10          1HG2      THR  10 -11.369   1.649  -9.179
  100   3HG2  THR  10          2HG2      THR  10 -12.208   3.047  -9.880
  101    QG2  THR  10           QG2      THR  10 -11.406   2.414  -9.860
  102    NH1  ARG  11           NH2      ARG  11 -16.943   9.313  -6.243
  103    NH2  ARG  11           NH1      ARG  11 -17.116  11.477  -5.435
  104    H    ARG  11           HN       ARG  11 -12.152   6.131  -8.292
  105    HA   ARG  11           HA       ARG  11 -11.555   8.536  -7.363
  106   1HB   ARG  11          2HB       ARG  11 -13.707   7.075  -7.174
  107   2HB   ARG  11          3HB       ARG  11 -13.052   6.522  -5.638
  108   1HG   ARG  11          2HG       ARG  11 -14.592   8.203  -5.127
  109   2HG   ARG  11          3HG       ARG  11 -13.028   8.985  -4.897
  110   1HD   ARG  11          2HD       ARG  11 -13.226  10.181  -6.992
  111   2HD   ARG  11          3HD       ARG  11 -14.575   9.203  -7.541
  112    HE   ARG  11           HE       ARG  11 -14.626  11.517  -5.790
  113   1HH1  ARG  11          2HH2      ARG  11 -16.369   8.557  -6.584
  114   2HH1  ARG  11          1HH2      ARG  11 -17.937   9.160  -6.152
  115   1HH2  ARG  11          2HH1      ARG  11 -16.695  12.362  -5.191
  116   2HH2  ARG  11          1HH1      ARG  11 -18.114  11.376  -5.318
  117    QB   ARG  11           QB       ARG  11 -13.380   6.799  -6.406
  118    QG   ARG  11           QG       ARG  11 -13.810   8.594  -5.012
  119    QD   ARG  11           QD       ARG  11 -13.901   9.692  -7.266
  120    QH1  ARG  11           QH2      ARG  11 -17.153   8.859  -6.368
  121    QH2  ARG  11           QH1      ARG  11 -17.404  11.869  -5.254
  122    H    ALA  12           HN       ALA  12 -10.115   9.455  -5.931
  123    HA   ALA  12           HA       ALA  12  -8.119   7.776  -4.817
  124   1HB   ALA  12          3HB       ALA  12  -7.626   9.919  -5.851
  125   2HB   ALA  12          1HB       ALA  12  -8.543  10.776  -4.590
  126   3HB   ALA  12          2HB       ALA  12  -7.060   9.897  -4.168
  127    QB   ALA  12           QB       ALA  12  -7.743  10.197  -4.870
  128    H    THR  13           HN       THR  13  -9.879   6.610  -3.324
  129    HA   THR  13           HA       THR  13 -10.737   8.097  -1.024
  130    HB   THR  13           HB       THR  13 -11.653   5.813  -0.408
  131    HG1  THR  13          1HG       THR  13 -10.125   4.559  -1.564
  132   1HG2  THR  13          2HG2      THR  13 -12.293   6.868  -3.202
  133   2HG2  THR  13          3HG2      THR  13 -13.321   5.798  -2.230
  134   3HG2  THR  13          1HG2      THR  13 -12.994   7.453  -1.678
  135    QG2  THR  13           QG2      THR  13 -12.869   6.706  -2.370
  136    H    THR  14           HN       THR  14 -10.143   7.951   1.069
  137    HA   THR  14           HA       THR  14  -7.790   6.349   1.834
  138    HB   THR  14           HB       THR  14  -7.866   8.006   3.816
  139    HG1  THR  14          1HG       THR  14  -9.007   9.904   3.392
  140   1HG2  THR  14          3HG2      THR  14  -6.171   8.151   1.995
  141   2HG2  THR  14          1HG2      THR  14  -7.302   9.148   1.047
  142   3HG2  THR  14          2HG2      THR  14  -6.655   9.748   2.587
  143    QG2  THR  14           QG2      THR  14  -6.709   9.016   1.877
  144    H    LYS  15           HN       LYS  15  -7.899   5.291   3.920
  145    HA   LYS  15           HA       LYS  15 -10.402   5.328   5.392
  146   1HB   LYS  15          2HB       LYS  15  -9.220   2.781   4.188
  147   2HB   LYS  15          3HB       LYS  15 -10.175   2.778   5.667
  148   1HG   LYS  15          2HG       LYS  15 -12.066   3.906   4.396
  149   2HG   LYS  15          3HG       LYS  15 -11.107   3.728   2.941
  150   1HD   LYS  15          2HD       LYS  15 -12.605   1.905   2.888
  151   2HD   LYS  15          3HD       LYS  15 -11.014   1.261   3.258
  152   1HE   LYS  15          2HE       LYS  15 -12.698   0.144   4.618
  153   2HE   LYS  15          3HE       LYS  15 -11.618   1.060   5.667
  154   1HZ   LYS  15          1HZ       LYS  15 -14.309   1.908   4.793
  155   2HZ   LYS  15          2HZ       LYS  15 -13.911   1.332   6.280
  156   3HZ   LYS  15          3HZ       LYS  15 -13.315   2.777   5.778
  157    QB   LYS  15           QB       LYS  15  -9.697   2.779   4.927
  158    QG   LYS  15           QG       LYS  15 -11.587   3.817   3.669
  159    QD   LYS  15           QD       LYS  15 -11.810   1.583   3.073
  160    QE   LYS  15           QE       LYS  15 -12.158   0.602   5.143
  161    QZ   LYS  15           QZ       LYS  15 -13.845   2.006   5.617
  162    H    SER  16           HN       SER  16  -9.946   4.103   7.512
  163    HA   SER  16           HA       SER  16  -7.416   4.974   8.610
  164   1HB   SER  16          2HB       SER  16  -9.567   4.848   9.907
  165   2HB   SER  16          3HB       SER  16  -9.411   3.072   9.874
  166    HG   SER  16           HG       SER  16  -8.469   3.994  11.752
  167    QB   SER  16           QB       SER  16  -9.489   3.960   9.891
  168    H    CYS  17           HN       CYS  17  -6.005   3.409   9.696
  169    HA   CYS  17           HA       CYS  17  -5.647   0.681   8.598
  170   1HB   CYS  17          2HB       CYS  17  -4.493   1.902   6.917
  171   2HB   CYS  17          3HB       CYS  17  -3.901   3.080   8.084
  172    QB   CYS  17           QB       CYS  17  -4.197   2.491   7.501
  173    H    GLU  20           HN       GLU  20  -5.497  -0.342  10.605
  174    HA   GLU  20           HA       GLU  20  -4.740   0.940  12.958
  175   1HB   GLU  20          2HB       GLU  20  -4.435  -1.542  13.729
  176   2HB   GLU  20          3HB       GLU  20  -6.013  -0.828  13.342
  177   1HG   GLU  20          2HG       GLU  20  -4.648  -2.361  11.153
  178   2HG   GLU  20          3HG       GLU  20  -5.420  -3.220  12.479
  179    QB   GLU  20           QB       GLU  20  -5.224  -1.185  13.535
  180    QG   GLU  20           QG       GLU  20  -5.034  -2.790  11.816
  181    H    GLU  21           HN       GLU  21  -2.604  -1.169  10.852
  182    HA   GLU  21           HA       GLU  21  -0.298  -0.857  12.371
  183   1HB   GLU  21          2HB       GLU  21  -0.644  -0.994   9.344
  184   2HB   GLU  21          3HB       GLU  21   0.922  -1.012  10.144
  185   1HG   GLU  21          2HG       GLU  21   0.436  -3.266   9.711
  186   2HG   GLU  21          3HG       GLU  21   0.279  -3.022  11.439
  187    QB   GLU  21           QB       GLU  21   0.139  -1.003   9.744
  188    QG   GLU  21           QG       GLU  21   0.358  -3.144  10.575
  189    H    ASN  22           HN       ASN  22   1.643   0.369  11.870
  190    HA   ASN  22           HA       ASN  22   1.150   3.260  11.780
  191   1HB   ASN  22          2HB       ASN  22   3.425   3.449  12.431
  192   2HB   ASN  22          3HB       ASN  22   2.737   2.145  13.401
  193   1HD2  ASN  22          2HD2      ASN  22   6.067   1.336  11.430
  194   2HD2  ASN  22          1HD2      ASN  22   5.482   2.944  11.857
  195    QB   ASN  22           QB       ASN  22   3.081   2.797  12.916
  196    QD2  ASN  22           QD2      ASN  22   5.775   2.140  11.643
  197    H    SER  23           HN       SER  23   2.209   0.686   9.631
  198    HA   SER  23           HA       SER  23   3.458   2.530   7.677
  199   1HB   SER  23          2HB       SER  23   4.021   0.053   6.794
  200   2HB   SER  23          3HB       SER  23   4.998   0.886   7.999
  201    HG   SER  23           HG       SER  23   3.990  -0.283   9.638
  202    QB   SER  23           QB       SER  23   4.510   0.469   7.397
  203    H    CYS  24           HN       CYS  24   3.055   1.928   5.400
  204    HA   CYS  24           HA       CYS  24   0.522   0.618   4.785
  205   1HB   CYS  24          2HB       CYS  24   1.014   3.543   4.100
  206   2HB   CYS  24          3HB       CYS  24  -0.300   2.559   3.429
  207    QB   CYS  24           QB       CYS  24   0.357   3.051   3.764
  208    OH   TYR  25           OH       TYR  25  -2.436  -4.735   0.113
  209    H    TYR  25           HN       TYR  25   0.340   0.232   2.422
  210    HA   TYR  25           HA       TYR  25   2.919   0.396   1.021
  211   1HB   TYR  25          2HB       TYR  25   2.981  -1.881   0.462
  212   2HB   TYR  25          3HB       TYR  25   2.591  -1.856   2.171
  213    HD1  TYR  25           HD1      TYR  25   1.280  -2.506  -1.273
  214    HD2  TYR  25           HD2      TYR  25   0.510  -2.727   2.937
  215    HE1  TYR  25           HE1      TYR  25  -0.816  -3.748  -1.732
  216    HE2  TYR  25           HE2      TYR  25  -1.467  -4.191   2.498
  217    HH   TYR  25           HH       TYR  25  -2.821  -4.546  -0.746
  218    QB   TYR  25           QB       TYR  25   2.786  -1.869   1.316
  219    QR   TYR  25           QR       TYR  25  -0.123  -3.293   0.607
  220    H    LYS  26           HN       LYS  26   2.922  -0.114  -1.127
  221    HA   LYS  26           HA       LYS  26   0.453   0.265  -2.700
  222   1HB   LYS  26          2HB       LYS  26   2.569   2.191  -2.307
  223   2HB   LYS  26          3HB       LYS  26   2.819   1.521  -3.914
  224   1HG   LYS  26          2HG       LYS  26   0.089   2.489  -2.946
  225   2HG   LYS  26          3HG       LYS  26   1.269   3.624  -3.556
  226   1HD   LYS  26          2HD       LYS  26   0.564   1.143  -5.187
  227   2HD   LYS  26          3HD       LYS  26  -0.481   2.561  -5.237
  228   1HE   LYS  26          2HE       LYS  26   2.513   2.848  -5.708
  229   2HE   LYS  26          3HE       LYS  26   1.432   2.398  -7.028
  230   1HZ   LYS  26          2HZ       LYS  26   0.775   4.736  -5.396
  231   2HZ   LYS  26          3HZ       LYS  26   1.908   4.866  -6.595
  232   3HZ   LYS  26          1HZ       LYS  26   0.366   4.404  -6.924
  233    QB   LYS  26           QB       LYS  26   2.694   1.856  -3.111
  234    QG   LYS  26           QG       LYS  26   0.679   3.056  -3.251
  235    QD   LYS  26           QD       LYS  26   0.042   1.852  -5.212
  236    QE   LYS  26           QE       LYS  26   1.973   2.623  -6.368
  237    QZ   LYS  26           QZ       LYS  26   1.016   4.669  -6.305
  238    H    LYS  27           HN       LYS  27   0.370  -1.338  -4.243
  239    HA   LYS  27           HA       LYS  27   2.771  -3.045  -4.750
  240   1HB   LYS  27          2HB       LYS  27   1.337  -4.166  -3.146
  241   2HB   LYS  27          3HB       LYS  27  -0.101  -3.740  -4.080
  242   1HG   LYS  27          2HG       LYS  27   0.835  -5.219  -5.955
  243   2HG   LYS  27          3HG       LYS  27   2.052  -5.772  -4.798
  244   1HD   LYS  27          2HD       LYS  27   0.224  -6.546  -3.282
  245   2HD   LYS  27          3HD       LYS  27  -0.978  -5.839  -4.375
  246   1HE   LYS  27          2HE       LYS  27   0.041  -7.426  -6.196
  247   2HE   LYS  27          3HE       LYS  27   0.767  -8.285  -4.834
  248   1HZ   LYS  27          1HZ       LYS  27  -2.118  -7.766  -5.245
  249   2HZ   LYS  27          2HZ       LYS  27  -1.363  -9.197  -5.496
  250   3HZ   LYS  27          3HZ       LYS  27  -1.483  -8.592  -3.972
  251    QB   LYS  27           QB       LYS  27   0.618  -3.953  -3.613
  252    QG   LYS  27           QG       LYS  27   1.443  -5.496  -5.377
  253    QD   LYS  27           QD       LYS  27  -0.377  -6.193  -3.828
  254    QE   LYS  27           QE       LYS  27   0.404  -7.855  -5.515
  255    QZ   LYS  27           QZ       LYS  27  -1.655  -8.518  -4.904
  256    OH   TYR  28           OH       TYR  28   7.659  -0.784  -6.648
  257    H    TYR  28           HN       TYR  28   2.970  -3.663  -7.022
  258    HA   TYR  28           HA       TYR  28   0.808  -2.838  -8.796
  259   1HB   TYR  28          2HB       TYR  28   2.518  -1.374  -9.946
  260   2HB   TYR  28          3HB       TYR  28   1.781  -0.734  -8.480
  261    HD1  TYR  28           HD1      TYR  28   3.119  -0.551  -6.367
  262    HD2  TYR  28           HD2      TYR  28   4.897  -1.740 -10.112
  263    HE1  TYR  28           HE1      TYR  28   5.363  -0.280  -5.383
  264    HE2  TYR  28           HE2      TYR  28   7.148  -1.328  -9.159
  265    HH   TYR  28           HH       TYR  28   7.677  -0.876  -5.688
  266    QB   TYR  28           QB       TYR  28   2.150  -1.054  -9.213
  267    QR   TYR  28           QR       TYR  28   5.132  -0.975  -7.756
  268    CH2  TRP  29           CH2      TRP  29  -2.756  -6.340  -8.256
  269    H    TRP  29           HN       TRP  29   0.883  -3.826 -10.822
  270    HA   TRP  29           HA       TRP  29   3.363  -5.179 -11.648
  271   1HB   TRP  29          2HB       TRP  29   2.231  -7.293 -12.031
  272   2HB   TRP  29          3HB       TRP  29   2.309  -6.892 -10.327
  273    HD1  TRP  29           HD1      TRP  29  -0.064  -7.738 -13.093
  274    HE1  TRP  29           HE1      TRP  29  -2.453  -7.911 -12.235
  275    HE3  TRP  29           HE3      TRP  29   0.587  -5.672  -8.445
  276    HZ2  TRP  29           HZ2      TRP  29  -3.924  -7.256  -9.825
  277    HZ3  TRP  29           HZ3      TRP  29  -1.335  -5.426  -6.920
  278    HH2  TRP  29           HH2      TRP  29  -3.594  -6.235  -7.580
  279    QB   TRP  29           QB       TRP  29   2.270  -7.092 -11.179
  280    NH1  ARG  30           NH2      ARG  30   7.260  -6.179 -14.667
  281    NH2  ARG  30           NH1      ARG  30   7.219  -8.055 -16.026
  282    H    ARG  30           HN       ARG  30   3.418  -5.676 -13.862
  283    HA   ARG  30           HA       ARG  30   2.096  -3.763 -15.488
  284   1HB   ARG  30          2HB       ARG  30   3.674  -6.219 -16.268
  285   2HB   ARG  30          3HB       ARG  30   3.263  -4.851 -17.292
  286   1HG   ARG  30          2HG       ARG  30   4.509  -3.296 -15.848
  287   2HG   ARG  30          3HG       ARG  30   4.988  -4.622 -14.783
  288   1HD   ARG  30          2HD       ARG  30   5.707  -4.291 -17.726
  289   2HD   ARG  30          3HD       ARG  30   6.806  -4.032 -16.383
  290    HE   ARG  30           HE       ARG  30   6.065  -6.523 -17.646
  291   1HH1  ARG  30          2HH2      ARG  30   7.067  -5.198 -14.541
  292   2HH1  ARG  30          1HH2      ARG  30   7.677  -6.688 -13.899
  293   1HH2  ARG  30          2HH1      ARG  30   6.975  -8.504 -16.897
  294   2HH2  ARG  30          1HH1      ARG  30   7.702  -8.599 -15.327
  295    QB   ARG  30           QB       ARG  30   3.468  -5.535 -16.780
  296    QG   ARG  30           QG       ARG  30   4.748  -3.959 -15.316
  297    QD   ARG  30           QD       ARG  30   6.256  -4.162 -17.055
  298    QH1  ARG  30           QH2      ARG  30   7.372  -5.943 -14.220
  299    QH2  ARG  30           QH1      ARG  30   7.339  -8.551 -16.112
  300    H    ASP  31           HN       ASP  31   0.518  -4.044 -17.086
  301    HA   ASP  31           HA       ASP  31  -1.027  -6.599 -17.038
  302   1HB   ASP  31          2HB       ASP  31  -2.892  -5.473 -16.806
  303   2HB   ASP  31          3HB       ASP  31  -1.974  -3.987 -16.582
  304    QB   ASP  31           QB       ASP  31  -2.433  -4.730 -16.694
  305    H    HIS  32           HN       HIS  32  -0.603  -3.927 -19.345
  306    HA   HIS  32           HA       HIS  32   0.746  -5.271 -21.468
  307   1HB   HIS  32          2HB       HIS  32  -2.121  -6.004 -21.096
  308   2HB   HIS  32          3HB       HIS  32  -1.806  -5.292 -22.660
  309    HD1  HIS  32           HD1      HIS  32   0.384  -6.467 -24.046
  310    HD2  HIS  32           HD2      HIS  32  -1.576  -8.592 -20.969
  311    HE1  HIS  32           HE1      HIS  32   0.965  -8.954 -24.387
  312    HE2  HIS  32           HE2      HIS  32  -0.239 -10.235 -22.508
  313    QB   HIS  32           QB       HIS  32  -1.963  -5.648 -21.878
  314    NH1  ARG  33           NH2      ARG  33  -7.979  -0.553 -22.528
  315    NH2  ARG  33           NH1      ARG  33  -7.774  -2.645 -23.510
  316    H    ARG  33           HN       ARG  33  -1.979  -3.090 -20.634
  317    HA   ARG  33           HA       ARG  33  -1.050  -1.175 -22.737
  318   1HB   ARG  33          2HB       ARG  33  -3.141  -0.060 -22.489
  319   2HB   ARG  33          3HB       ARG  33  -3.383  -1.756 -22.928
  320   1HG   ARG  33          2HG       ARG  33  -3.995  -2.293 -20.568
  321   2HG   ARG  33          3HG       ARG  33  -3.666  -0.620 -20.098
  322   1HD   ARG  33          2HD       ARG  33  -6.008  -0.816 -20.317
  323   2HD   ARG  33          3HD       ARG  33  -5.425   0.143 -21.700
  324    HE   ARG  33           HE       ARG  33  -5.565  -2.690 -22.293
  325   1HH1  ARG  33          2HH2      ARG  33  -7.596   0.161 -21.925
  326   2HH1  ARG  33          1HH2      ARG  33  -8.879  -0.394 -22.956
  327   1HH2  ARG  33          2HH1      ARG  33  -7.253  -3.498 -23.655
  328   2HH2  ARG  33          1HH1      ARG  33  -8.673  -2.553 -23.960
  329    QB   ARG  33           QB       ARG  33  -3.262  -0.908 -22.708
  330    QG   ARG  33           QG       ARG  33  -3.831  -1.457 -20.333
  331    QD   ARG  33           QD       ARG  33  -5.716  -0.336 -21.009
  332    QH1  ARG  33           QH2      ARG  33  -8.237  -0.117 -22.441
  333    QH2  ARG  33           QH1      ARG  33  -7.963  -3.025 -23.807
  334    H    GLY  34           HN       GLY  34  -1.401  -1.755 -19.270
  335   1HA   GLY  34          1HA       GLY  34   0.420   0.486 -18.635
  336   2HA   GLY  34          2HA       GLY  34  -1.213   0.524 -17.941
  337    QA   GLY  34           QA       GLY  34  -0.397   0.505 -18.288
  338    H    THR  35           HN       THR  35  -0.211   0.295 -15.898
  339    HA   THR  35           HA       THR  35   0.447  -2.486 -15.150
  340    HB   THR  35           HB       THR  35   2.326  -0.792 -15.277
  341    HG1  THR  35          1HG       THR  35   3.213  -1.530 -13.277
  342   1HG2  THR  35          2HG2      THR  35   1.160   1.169 -14.280
  343   2HG2  THR  35          3HG2      THR  35   1.159   0.325 -12.715
  344   3HG2  THR  35          1HG2      THR  35   2.690   0.777 -13.479
  345    QG2  THR  35           QG2      THR  35   1.670   0.757 -13.491
  346    H    ILE  36           HN       ILE  36  -0.768  -3.312 -13.554
  347    HA   ILE  36           HA       ILE  36  -3.079  -1.785 -12.607
  348    HB   ILE  36           HB       ILE  36  -2.168  -4.643 -12.102
  349   1HG1  ILE  36          2HG1      ILE  36  -4.374  -3.458 -13.861
  350   2HG1  ILE  36          3HG1      ILE  36  -2.856  -4.171 -14.430
  351   1HG2  ILE  36          1HG2      ILE  36  -3.504  -3.754 -10.193
  352   2HG2  ILE  36          2HG2      ILE  36  -4.758  -3.215 -11.329
  353   3HG2  ILE  36          3HG2      ILE  36  -4.428  -4.942 -11.091
  354   1HD1  ILE  36          1HD1      ILE  36  -3.531  -6.357 -13.419
  355   2HD1  ILE  36          2HD1      ILE  36  -5.131  -5.654 -13.071
  356   3HD1  ILE  36          3HD1      ILE  36  -4.569  -5.794 -14.740
  357    QG1  ILE  36           QG1      ILE  36  -3.615  -3.815 -14.145
  358    QG2  ILE  36           QG2      ILE  36  -4.230  -3.970 -10.871
  359    QD1  ILE  36           QD1      ILE  36  -4.410  -5.935 -13.743
  360    H    ILE  37           HN       ILE  37  -2.905  -0.562 -10.905
  361    HA   ILE  37           HA       ILE  37  -0.837  -0.941  -8.812
  362    HB   ILE  37           HB       ILE  37  -2.914   1.267  -9.151
  363   1HG1  ILE  37          2HG1      ILE  37  -1.500   1.411 -11.100
  364   2HG1  ILE  37          3HG1      ILE  37  -1.118   2.718  -9.985
  365   1HG2  ILE  37          3HG2      ILE  37  -0.491   0.931  -7.361
  366   2HG2  ILE  37          1HG2      ILE  37  -1.275   2.502  -7.647
  367   3HG2  ILE  37          2HG2      ILE  37  -2.179   1.185  -6.885
  368   1HD1  ILE  37          3HD1      ILE  37   0.884   1.412  -9.189
  369   2HD1  ILE  37          1HD1      ILE  37   0.507   0.176 -10.415
  370   3HD1  ILE  37          2HD1      ILE  37   0.931   1.827 -10.908
  371    QG1  ILE  37           QG1      ILE  37  -1.309   2.064 -10.542
  372    QG2  ILE  37           QG2      ILE  37  -1.315   1.539  -7.297
  373    QD1  ILE  37           QD1      ILE  37   0.774   1.138 -10.171
  374    H    GLU  38           HN       GLU  38  -1.392  -1.493  -6.787
  375    HA   GLU  38           HA       GLU  38  -4.193  -1.732  -5.901
  376   1HB   GLU  38          2HB       GLU  38  -3.225  -3.961  -6.670
  377   2HB   GLU  38          3HB       GLU  38  -1.937  -3.751  -5.465
  378   1HG   GLU  38          2HG       GLU  38  -3.534  -5.236  -4.506
  379   2HG   GLU  38          3HG       GLU  38  -3.863  -3.696  -3.704
  380    QB   GLU  38           QB       GLU  38  -2.581  -3.856  -6.067
  381    QG   GLU  38           QG       GLU  38  -3.699  -4.466  -4.105
  382    NH1  ARG  39           NH2      ARG  39  -4.342   3.034  -6.091
  383    NH2  ARG  39           NH1      ARG  39  -2.745   4.596  -6.668
  384    H    ARG  39           HN       ARG  39  -4.242  -1.436  -3.461
  385    HA   ARG  39           HA       ARG  39  -1.740  -0.367  -2.277
  386   1HB   ARG  39          2HB       ARG  39  -4.535   0.917  -2.267
  387   2HB   ARG  39          3HB       ARG  39  -3.083   1.471  -1.408
  388   1HG   ARG  39          2HG       ARG  39  -1.930   1.715  -3.548
  389   2HG   ARG  39          3HG       ARG  39  -3.418   1.254  -4.388
  390   1HD   ARG  39          2HD       ARG  39  -4.614   3.206  -3.354
  391   2HD   ARG  39          3HD       ARG  39  -3.186   3.565  -2.429
  392    HE   ARG  39           HE       ARG  39  -2.087   4.380  -4.210
  393   1HH1  ARG  39          2HH2      ARG  39  -4.797   2.474  -5.369
  394   2HH1  ARG  39          1HH2      ARG  39  -4.773   2.995  -7.014
  395   1HH2  ARG  39          2HH1      ARG  39  -2.197   5.386  -6.300
  396   2HH2  ARG  39          1HH1      ARG  39  -2.980   4.554  -7.646
  397    QB   ARG  39           QB       ARG  39  -3.809   1.194  -1.837
  398    QG   ARG  39           QG       ARG  39  -2.674   1.484  -3.968
  399    QD   ARG  39           QD       ARG  39  -3.900   3.386  -2.892
  400    QH1  ARG  39           QH2      ARG  39  -4.785   2.734  -6.192
  401    QH2  ARG  39           QH1      ARG  39  -2.589   4.970  -6.973
  402    H    GLY  40           HN       GLY  40  -1.794  -0.385   0.066
  403   1HA   GLY  40          1HA       GLY  40  -4.110  -0.872   1.453
  404   2HA   GLY  40          2HA       GLY  40  -3.366  -2.469   1.314
  405    QA   GLY  40           QA       GLY  40  -3.738  -1.671   1.384
  406    H    CYS  41           HN       CYS  41  -3.106  -2.291   3.687
  407    HA   CYS  41           HA       CYS  41  -1.499  -0.004   4.699
  408   1HB   CYS  41          2HB       CYS  41  -3.419   0.218   5.622
  409   2HB   CYS  41          3HB       CYS  41  -3.908  -1.496   5.584
  410    QB   CYS  41           QB       CYS  41  -3.664  -0.639   5.603
  411    H    GLY  42           HN       GLY  42  -0.345  -0.470   6.772
  412   1HA   GLY  42          1HA       GLY  42   1.425  -1.624   7.856
  413   2HA   GLY  42          2HA       GLY  42   0.650  -3.117   7.318
  414    QA   GLY  42           QA       GLY  42   1.038  -2.371   7.587
  415    H    CYS  43           HN       CYS  43   2.481  -4.221   6.572
  416    HA   CYS  43           HA       CYS  43   3.427  -3.407   3.928
  417   1HB   CYS  43          2HB       CYS  43   4.978  -2.179   5.402
  418   2HB   CYS  43          3HB       CYS  43   5.445  -3.705   6.163
  419    QB   CYS  43           QB       CYS  43   5.211  -2.942   5.782
  420    HA   PRO  44           HA       PRO  44   3.267  -8.002   4.451
  421   1HB   PRO  44          2HB       PRO  44   1.533  -8.640   2.477
  422   2HB   PRO  44          3HB       PRO  44   0.950  -7.919   4.008
  423   1HG   PRO  44          2HG       PRO  44   1.529  -6.487   1.398
  424   2HG   PRO  44          3HG       PRO  44   0.049  -6.386   2.393
  425   1HD   PRO  44          2HD       PRO  44   2.160  -4.604   2.541
  426   2HD   PRO  44          3HD       PRO  44   1.118  -4.970   3.959
  427    QB   PRO  44           QB       PRO  44   1.241  -8.280   3.242
  428    QG   PRO  44           QG       PRO  44   0.789  -6.437   1.895
  429    QD   PRO  44           QD       PRO  44   1.639  -4.787   3.250
  430    H    LYS  45           HN       LYS  45   3.842  -9.651   2.719
  431    HA   LYS  45           HA       LYS  45   5.837  -8.510   0.814
  432   1HB   LYS  45          2HB       LYS  45   6.764  -9.739   2.588
  433   2HB   LYS  45          3HB       LYS  45   5.721 -11.141   2.318
  434   1HG   LYS  45          2HG       LYS  45   7.633 -10.211   0.152
  435   2HG   LYS  45          3HG       LYS  45   8.302 -10.967   1.577
  436   1HD   LYS  45          2HD       LYS  45   6.114 -12.323  -0.042
  437   2HD   LYS  45          3HD       LYS  45   7.843 -12.506  -0.375
  438   1HE   LYS  45          2HE       LYS  45   8.190 -13.322   1.981
  439   2HE   LYS  45          3HE       LYS  45   6.441 -13.246   2.248
  440   1HZ   LYS  45          2HZ       LYS  45   6.174 -14.840   0.465
  441   2HZ   LYS  45          3HZ       LYS  45   7.808 -14.934   0.263
  442   3HZ   LYS  45          1HZ       LYS  45   7.121 -15.436   1.670
  443    QB   LYS  45           QB       LYS  45   6.243 -10.440   2.453
  444    QG   LYS  45           QG       LYS  45   7.968 -10.589   0.864
  445    QD   LYS  45           QD       LYS  45   6.979 -12.414  -0.208
  446    QE   LYS  45           QE       LYS  45   7.316 -13.284   2.114
  447    QZ   LYS  45           QZ       LYS  45   7.034 -15.070   0.799
  448    H    VAL  46           HN       VAL  46   6.139  -9.767  -1.095
  449    HA   VAL  46           HA       VAL  46   3.666 -10.983  -2.243
  450    HB   VAL  46           HB       VAL  46   3.913  -9.624  -4.265
  451   1HG1  VAL  46          3HG1      VAL  46   2.401  -8.878  -2.447
  452   2HG1  VAL  46          1HG1      VAL  46   3.704  -7.868  -1.786
  453   3HG1  VAL  46          2HG1      VAL  46   3.052  -7.528  -3.397
  454   1HG2  VAL  46          3HG2      VAL  46   6.346  -9.118  -4.150
  455   2HG2  VAL  46          1HG2      VAL  46   5.363  -7.667  -4.362
  456   3HG2  VAL  46          2HG2      VAL  46   6.049  -8.042  -2.768
  457    QG1  VAL  46           QG1      VAL  46   3.052  -8.091  -2.543
  458    QG2  VAL  46           QG2      VAL  46   5.919  -8.276  -3.760
  459    QQG  VAL  46           QQG      VAL  46   4.486  -8.184  -3.152
  460    H    LYS  47           HN       LYS  47   4.292 -11.706  -4.623
  461    HA   LYS  47           HA       LYS  47   6.710 -13.416  -4.392
  462   1HB   LYS  47          2HB       LYS  47   4.680 -13.537  -6.632
  463   2HB   LYS  47          3HB       LYS  47   5.765 -14.790  -6.046
  464   1HG   LYS  47          2HG       LYS  47   4.452 -14.757  -3.851
  465   2HG   LYS  47          3HG       LYS  47   3.217 -13.850  -4.757
  466   1HD   LYS  47          2HD       LYS  47   3.279 -15.760  -6.489
  467   2HD   LYS  47          3HD       LYS  47   4.376 -16.605  -5.403
  468   1HE   LYS  47          2HE       LYS  47   2.295 -17.558  -4.901
  469   2HE   LYS  47          3HE       LYS  47   2.581 -16.422  -3.578
  470   1HZ   LYS  47          1HZ       LYS  47   0.869 -15.955  -5.942
  471   2HZ   LYS  47          2HZ       LYS  47   0.347 -16.285  -4.422
  472   3HZ   LYS  47          3HZ       LYS  47   1.115 -14.866  -4.732
  473    QB   LYS  47           QB       LYS  47   5.223 -14.163  -6.339
  474    QG   LYS  47           QG       LYS  47   3.834 -14.304  -4.304
  475    QD   LYS  47           QD       LYS  47   3.827 -16.182  -5.946
  476    QE   LYS  47           QE       LYS  47   2.438 -16.990  -4.240
  477    QZ   LYS  47           QZ       LYS  47   0.777 -15.702  -5.032
  478    HA   PRO  48           HA       PRO  48   8.852 -10.672  -7.038
  479   1HB   PRO  48          2HB       PRO  48  10.302 -12.220  -8.806
  480   2HB   PRO  48          3HB       PRO  48  10.648 -12.099  -7.057
  481   1HG   PRO  48          2HG       PRO  48   9.093 -14.250  -8.500
  482   2HG   PRO  48          3HG       PRO  48  10.359 -14.453  -7.253
  483   1HD   PRO  48          2HD       PRO  48   7.713 -14.573  -6.727
  484   2HD   PRO  48          3HD       PRO  48   8.830 -13.889  -5.519
  485    QB   PRO  48           QB       PRO  48  10.475 -12.160  -7.932
  486    QG   PRO  48           QG       PRO  48   9.726 -14.352  -7.876
  487    QD   PRO  48           QD       PRO  48   8.272 -14.231  -6.123
  488    H    GLY  49           HN       GLY  49   9.180  -9.884  -9.327
  489   1HA   GLY  49          1HA       GLY  49   8.518  -9.445 -11.473
  490   2HA   GLY  49          2HA       GLY  49   7.251 -10.654 -11.283
  491    QA   GLY  49           QA       GLY  49   7.884 -10.049 -11.378
  492    H    VAL  50           HN       VAL  50   6.065  -9.884  -8.980
  493    HA   VAL  50           HA       VAL  50   4.540  -7.471  -9.667
  494    HB   VAL  50           HB       VAL  50   4.408  -9.330  -7.252
  495   1HG1  VAL  50          3HG1      VAL  50   2.598  -7.036  -8.112
  496   2HG1  VAL  50          1HG1      VAL  50   2.212  -8.218  -6.849
  497   3HG1  VAL  50          2HG1      VAL  50   3.577  -7.123  -6.637
  498   1HG2  VAL  50          2HG2      VAL  50   2.667  -9.124  -9.754
  499   2HG2  VAL  50          3HG2      VAL  50   3.731 -10.472  -9.320
  500   3HG2  VAL  50          1HG2      VAL  50   2.304 -10.122  -8.336
  501    QG1  VAL  50           QG1      VAL  50   2.796  -7.459  -7.200
  502    QG2  VAL  50           QG2      VAL  50   2.901  -9.906  -9.137
  503    QQG  VAL  50           QQG      VAL  50   2.848  -8.682  -8.168
  504    H    GLY  51           HN       GLY  51   5.088  -5.433  -9.000
  505   1HA   GLY  51          1HA       GLY  51   7.359  -5.063  -7.320
  506   2HA   GLY  51          2HA       GLY  51   6.495  -3.804  -8.172
  507    QA   GLY  51           QA       GLY  51   6.927  -4.433  -7.746
  508    H    ILE  52           HN       ILE  52   7.232  -3.322  -5.697
  509    HA   ILE  52           HA       ILE  52   4.823  -3.131  -4.055
  510    HB   ILE  52           HB       ILE  52   5.672  -5.408  -3.604
  511   1HG1  ILE  52          2HG1      ILE  52   6.007  -5.317  -1.174
  512   2HG1  ILE  52          3HG1      ILE  52   6.164  -3.566  -1.222
  513   1HG2  ILE  52          3HG2      ILE  52   8.065  -5.028  -4.175
  514   2HG2  ILE  52          1HG2      ILE  52   8.260  -4.092  -2.679
  515   3HG2  ILE  52          2HG2      ILE  52   7.855  -5.815  -2.612
  516   1HD1  ILE  52          2HD1      ILE  52   3.711  -5.142  -2.146
  517   2HD1  ILE  52          3HD1      ILE  52   3.897  -4.394  -0.548
  518   3HD1  ILE  52          1HD1      ILE  52   3.823  -3.375  -1.991
  519    QG1  ILE  52           QG1      ILE  52   6.086  -4.442  -1.198
  520    QG2  ILE  52           QG2      ILE  52   8.060  -4.979  -3.156
  521    QD1  ILE  52           QD1      ILE  52   3.810  -4.304  -1.562
  522    H    HIS  53           HN       HIS  53   5.057  -1.537  -2.395
  523    HA   HIS  53           HA       HIS  53   7.698  -0.554  -1.681
  524   1HB   HIS  53          2HB       HIS  53   7.179   0.918  -3.621
  525   2HB   HIS  53          3HB       HIS  53   5.597   1.288  -2.919
  526    HD1  HIS  53           HD1      HIS  53   5.581   3.470  -1.470
  527    HD2  HIS  53           HD2      HIS  53   9.350   1.583  -1.760
  528    HE1  HIS  53           HE1      HIS  53   7.248   4.941  -0.177
  529    HE2  HIS  53           HE2      HIS  53   9.516   3.764  -0.322
  530    QB   HIS  53           QB       HIS  53   6.388   1.103  -3.270
  531    H    CYS  54           HN       CYS  54   7.601   0.305   0.449
  532    HA   CYS  54           HA       CYS  54   4.927   0.471   1.733
  533   1HB   CYS  54          2HB       CYS  54   7.453  -0.729   2.894
  534   2HB   CYS  54          3HB       CYS  54   5.968  -0.373   3.788
  535    QB   CYS  54           QB       CYS  54   6.711  -0.551   3.341
  536    H    CYS  55           HN       CYS  55   4.835   2.027   3.518
  537    HA   CYS  55           HA       CYS  55   6.951   3.983   3.810
  538   1HB   CYS  55          2HB       CYS  55   5.519   5.852   3.047
  539   2HB   CYS  55          3HB       CYS  55   6.032   4.767   1.778
  540    QB   CYS  55           QB       CYS  55   5.775   5.309   2.412
  541    H    GLN  56           HN       GLN  56   5.997   5.794   5.245
  542    HA   GLN  56           HA       GLN  56   4.688   4.376   7.530
  543   1HB   GLN  56          2HB       GLN  56   7.335   4.258   7.070
  544   2HB   GLN  56          3HB       GLN  56   7.324   5.803   7.911
  545   1HG   GLN  56          2HG       GLN  56   6.135   3.169   8.937
  546   2HG   GLN  56          3HG       GLN  56   7.766   3.735   9.297
  547   1HE2  GLN  56          2HE2      GLN  56   6.715   6.316  11.582
  548   2HE2  GLN  56          1HE2      GLN  56   7.884   6.027  10.313
  549    QB   GLN  56           QB       GLN  56   7.329   5.031   7.491
  550    QG   GLN  56           QG       GLN  56   6.951   3.452   9.117
  551    QE2  GLN  56           QE2      GLN  56   7.299   6.172  10.948
  552    H    SER  57           HN       SER  57   3.488   6.459   6.023
  553    HA   SER  57           HA       SER  57   3.190   8.550   8.068
  554   1HB   SER  57          2HB       SER  57   3.455  10.230   6.072
  555   2HB   SER  57          3HB       SER  57   4.881   9.643   6.949
  556    HG   SER  57           HG       SER  57   5.091   9.540   4.641
  557    QB   SER  57           QB       SER  57   4.168   9.936   6.510
  558    H    ASP  58           HN       ASP  58   1.218   9.814   7.727
  559    HA   ASP  58           HA       ASP  58  -0.882   8.140   6.738
  560   1HB   ASP  58          2HB       ASP  58  -0.864  11.044   7.658
  561   2HB   ASP  58          3HB       ASP  58  -2.323  10.123   7.250
  562    QB   ASP  58           QB       ASP  58  -1.594  10.583   7.454
  563    H    LYS  59           HN       LYS  59  -2.109   8.292   4.948
  564    HA   LYS  59           HA       LYS  59  -2.466   8.494   2.690
  565   1HB   LYS  59          2HB       LYS  59  -1.614  11.394   3.027
  566   2HB   LYS  59          3HB       LYS  59  -2.784  10.730   1.895
  567   1HG   LYS  59          2HG       LYS  59  -4.328  10.238   3.832
  568   2HG   LYS  59          3HG       LYS  59  -3.114  10.914   4.927
  569   1HD   LYS  59          2HD       LYS  59  -4.566  12.709   4.618
  570   2HD   LYS  59          3HD       LYS  59  -3.179  13.052   3.580
  571   1HE   LYS  59          2HE       LYS  59  -4.583  11.956   1.659
  572   2HE   LYS  59          3HE       LYS  59  -5.948  12.027   2.774
  573   1HZ   LYS  59          2HZ       LYS  59  -4.367  14.339   1.860
  574   2HZ   LYS  59          3HZ       LYS  59  -5.829  13.893   1.267
  575   3HZ   LYS  59          1HZ       LYS  59  -5.701  14.406   2.824
  576    QB   LYS  59           QB       LYS  59  -2.199  11.062   2.461
  577    QG   LYS  59           QG       LYS  59  -3.721  10.576   4.380
  578    QD   LYS  59           QD       LYS  59  -3.872  12.881   4.099
  579    QE   LYS  59           QE       LYS  59  -5.265  11.991   2.217
  580    QZ   LYS  59           QZ       LYS  59  -5.299  14.213   1.984
  581    H    CYS  60           HN       CYS  60   0.242   7.654   3.401
  582    HA   CYS  60           HA       CYS  60   2.007   9.042   1.528
  583   1HB   CYS  60          2HB       CYS  60   3.723   7.654   2.374
  584   2HB   CYS  60          3HB       CYS  60   2.693   8.195   3.693
  585    QB   CYS  60           QB       CYS  60   3.208   7.924   3.033
  586    H    ASN  61           HN       ASN  61   0.075   6.065   1.475
  587    HA   ASN  61           HA       ASN  61   1.607   4.967  -0.740
  588   1HB   ASN  61          2HB       ASN  61   0.313   3.007  -0.434
  589   2HB   ASN  61          3HB       ASN  61   0.904   3.556   1.141
  590   1HD2  ASN  61          2HD2      ASN  61  -2.842   2.576   1.102
  591   2HD2  ASN  61          1HD2      ASN  61  -1.347   1.747   0.612
  592    QB   ASN  61           QB       ASN  61   0.609   3.281   0.353
  593    QD2  ASN  61           QD2      ASN  61  -2.094   2.161   0.857
  594    OH   TYR  62           OH       TYR  62  -4.282  12.086  -6.120
  595    H    TYR  62           HN       TYR  62   0.737   7.154  -1.868
  596    HA   TYR  62           HA       TYR  62  -1.980   7.173  -2.697
  597   1HB   TYR  62          2HB       TYR  62  -0.310   9.153  -2.601
  598   2HB   TYR  62          3HB       TYR  62   0.262   8.506  -4.162
  599    HD1  TYR  62           HD2      TYR  62  -3.322   8.830  -3.113
  600    HD2  TYR  62           HD1      TYR  62  -0.121  10.351  -5.558
  601    HE1  TYR  62           HE2      TYR  62  -4.878  10.419  -4.159
  602    HE2  TYR  62           HE1      TYR  62  -1.721  11.868  -6.685
  603    HH   TYR  62           HH       TYR  62  -5.156  12.089  -5.728
  604    QB   TYR  62           QB       TYR  62  -0.024   8.829  -3.382
  605    QR   TYR  62           QR       TYR  62  -2.511  10.367  -4.879
   
  Start of MODEL          18
 Raw file had 605 H/Q atoms
  Start of MODEL   18
    1    NH1  ARG   1           NH2      ARG   1   1.242   8.578  11.308
    2    NH2  ARG   1           NH1      ARG   1   3.359   7.683  11.250
    3    H    ARG   1           HN       ARG   1  -2.272   4.464  11.987
    4    HA   ARG   1           HA       ARG   1  -2.524   6.525  10.580
    5   1HB   ARG   1          2HB       ARG   1  -1.884   3.846   9.301
    6   2HB   ARG   1          3HB       ARG   1  -1.684   5.367   8.426
    7   1HG   ARG   1          2HG       ARG   1  -0.310   5.096  11.117
    8   2HG   ARG   1          3HG       ARG   1   0.307   4.261   9.692
    9   1HD   ARG   1          2HD       ARG   1   0.449   6.289   8.420
   10   2HD   ARG   1          3HD       ARG   1  -0.337   7.204   9.699
   11    HE   ARG   1           HE       ARG   1   2.424   6.019   9.711
   12   1HH1  ARG   1          2HH2      ARG   1   0.310   8.685  10.892
   13   2HH1  ARG   1          1HH2      ARG   1   1.537   9.336  11.899
   14   1HH2  ARG   1          2HH1      ARG   1   4.005   7.060  10.768
   15   2HH2  ARG   1          1HH1      ARG   1   3.699   8.348  11.926
   16    QB   ARG   1           QB       ARG   1  -1.784   4.607   8.863
   17    QG   ARG   1           QG       ARG   1  -0.001   4.679  10.404
   18    QD   ARG   1           QD       ARG   1   0.056   6.747   9.060
   19    QH1  ARG   1           QH2      ARG   1   0.924   9.011  11.395
   20    QH2  ARG   1           QH1      ARG   1   3.852   7.704  11.347
   21    H    ILE   2           HN       ILE   2  -3.391   7.255   8.447
   22    HA   ILE   2           HA       ILE   2  -5.765   5.812   7.395
   23    HB   ILE   2           HB       ILE   2  -5.376   8.813   7.599
   24   1HG1  ILE   2          2HG1      ILE   2  -7.274   6.965   9.142
   25   2HG1  ILE   2          3HG1      ILE   2  -5.915   7.883   9.805
   26   1HG2  ILE   2          2HG2      ILE   2  -6.606   8.093   5.554
   27   2HG2  ILE   2          3HG2      ILE   2  -7.762   7.201   6.563
   28   3HG2  ILE   2          1HG2      ILE   2  -7.658   8.971   6.645
   29   1HD1  ILE   2          2HD1      ILE   2  -7.066   9.997   9.204
   30   2HD1  ILE   2          3HD1      ILE   2  -8.486   9.044   8.687
   31   3HD1  ILE   2          1HD1      ILE   2  -7.953   8.988  10.369
   32    QG1  ILE   2           QG1      ILE   2  -6.594   7.424   9.473
   33    QG2  ILE   2           QG2      ILE   2  -7.342   8.088   6.254
   34    QD1  ILE   2           QD1      ILE   2  -7.835   9.343   9.420
   35    H    CYS   3           HN       CYS   3  -5.644   5.477   5.219
   36    HA   CYS   3           HA       CYS   3  -3.487   6.701   3.619
   37   1HB   CYS   3          2HB       CYS   3  -3.373   4.001   4.939
   38   2HB   CYS   3          3HB       CYS   3  -2.758   4.104   3.312
   39    QB   CYS   3           QB       CYS   3  -3.066   4.053   4.125
   40    OH   TYR   4           OH       TYR   4  -3.660  11.194   0.010
   41    H    TYR   4           HN       TYR   4  -3.411   5.262   1.438
   42    HA   TYR   4           HA       TYR   4  -6.271   5.254   0.670
   43   1HB   TYR   4          2HB       TYR   4  -4.081   5.215  -1.367
   44   2HB   TYR   4          3HB       TYR   4  -5.753   5.583  -1.444
   45    HD1  TYR   4           HD1      TYR   4  -6.655   7.834  -0.685
   46    HD2  TYR   4           HD2      TYR   4  -2.521   6.838  -0.167
   47    HE1  TYR   4           HE1      TYR   4  -6.105  10.235  -0.424
   48    HE2  TYR   4           HE2      TYR   4  -1.929   9.218  -0.131
   49    HH   TYR   4           HH       TYR   4  -2.700  11.287  -0.048
   50    QB   TYR   4           QB       TYR   4  -4.917   5.399  -1.405
   51    QR   TYR   4           QR       TYR   4  -4.302   8.531  -0.352
   52    H    ASN   5           HN       ASN   5  -7.215   3.708  -0.470
   53    HA   ASN   5           HA       ASN   5  -5.997   1.003  -0.683
   54   1HB   ASN   5          2HB       ASN   5  -7.979  -0.020   0.185
   55   2HB   ASN   5          3HB       ASN   5  -7.456   1.163   1.385
   56   1HD2  ASN   5          2HD2      ASN   5 -10.229   3.449   0.533
   57   2HD2  ASN   5          1HD2      ASN   5  -8.529   3.464   0.990
   58    QB   ASN   5           QB       ASN   5  -7.718   0.572   0.785
   59    QD2  ASN   5           QD2      ASN   5  -9.379   3.456   0.762
   60    H    HIS   6           HN       HIS   6  -6.602   3.372  -2.509
   61    HA   HIS   6           HA       HIS   6  -8.646   2.240  -4.344
   62   1HB   HIS   6          2HB       HIS   6  -8.100   4.269  -5.692
   63   2HB   HIS   6          3HB       HIS   6  -8.865   4.507  -4.139
   64    HD1  HIS   6           HD1      HIS   6  -7.615   6.510  -2.727
   65    HD2  HIS   6           HD2      HIS   6  -5.243   4.560  -5.602
   66    HE1  HIS   6           HE1      HIS   6  -5.464   7.969  -3.133
   67    HE2  HIS   6           HE2      HIS   6  -4.016   6.669  -4.705
   68    QB   HIS   6           QB       HIS   6  -8.483   4.388  -4.915
   69    H    GLN   7           HN       GLN   7  -7.979   1.774  -6.638
   70    HA   GLN   7           HA       GLN   7  -5.425   0.296  -6.472
   71   1HB   GLN   7          2HB       GLN   7  -7.664   0.108  -8.524
   72   2HB   GLN   7          3HB       GLN   7  -6.329  -1.013  -8.252
   73   1HG   GLN   7          2HG       GLN   7  -7.211  -1.368  -5.910
   74   2HG   GLN   7          3HG       GLN   7  -8.614  -0.395  -6.326
   75   1HE2  GLN   7          2HE2      GLN   7  -8.411  -4.269  -7.588
   76   2HE2  GLN   7          1HE2      GLN   7  -7.041  -3.557  -6.740
   77    QB   GLN   7           QB       GLN   7  -6.996  -0.452  -8.388
   78    QG   GLN   7           QG       GLN   7  -7.913  -0.881  -6.118
   79    QE2  GLN   7           QE2      GLN   7  -7.726  -3.913  -7.164
   80    H    SER   8           HN       SER   8  -5.060   0.189  -9.376
   81    HA   SER   8           HA       SER   8  -4.260   2.884 -10.138
   82   1HB   SER   8          2HB       SER   8  -3.267   0.836 -11.173
   83   2HB   SER   8          3HB       SER   8  -4.834   0.515 -11.960
   84    HG   SER   8           HG       SER   8  -3.175   1.665 -13.174
   85    QB   SER   8           QB       SER   8  -4.050   0.676 -11.567
   86    H    THR   9           HN       THR   9  -5.546   3.420 -12.329
   87    HA   THR   9           HA       THR   9  -7.580   4.277 -13.196
   88    HB   THR   9           HB       THR   9  -8.535   2.053 -14.228
   89    HG1  THR   9          1HG       THR   9  -7.262   0.277 -13.838
   90   1HG2  THR   9          3HG2      THR   9  -5.591   2.796 -14.477
   91   2HG2  THR   9          1HG2      THR   9  -6.519   1.793 -15.611
   92   3HG2  THR   9          2HG2      THR   9  -6.948   3.499 -15.385
   93    QG2  THR   9           QG2      THR   9  -6.353   2.696 -15.158
   94    H    THR  10           HN       THR  10  -8.221   4.005 -10.211
   95    HA   THR  10           HA       THR  10 -11.172   3.666 -10.571
   96    HB   THR  10           HB       THR  10 -11.203   2.434  -8.397
   97    HG1  THR  10          1HG       THR  10  -8.421   2.170  -8.837
   98   1HG2  THR  10          2HG2      THR  10 -11.270   1.238 -10.607
   99   2HG2  THR  10          3HG2      THR  10  -9.525   0.986 -10.488
  100   3HG2  THR  10          1HG2      THR  10 -10.599   0.282  -9.272
  101    QG2  THR  10           QG2      THR  10 -10.465   0.835 -10.122
  102    NH1  ARG  11           NH2      ARG  11 -17.005   9.061  -7.014
  103    NH2  ARG  11           NH1      ARG  11 -16.630  10.917  -5.678
  104    H    ARG  11           HN       ARG  11 -12.437   4.416  -8.714
  105    HA   ARG  11           HA       ARG  11 -12.034   7.141  -8.251
  106   1HB   ARG  11          2HB       ARG  11 -14.210   5.944  -8.138
  107   2HB   ARG  11          3HB       ARG  11 -13.685   5.117  -6.669
  108   1HG   ARG  11          2HG       ARG  11 -15.196   6.911  -6.120
  109   2HG   ARG  11          3HG       ARG  11 -13.604   7.274  -5.456
  110   1HD   ARG  11          2HD       ARG  11 -13.141   8.853  -7.257
  111   2HD   ARG  11          3HD       ARG  11 -14.623   8.430  -8.106
  112    HE   ARG  11           HE       ARG  11 -14.234  10.167  -5.776
  113   1HH1  ARG  11          2HH2      ARG  11 -16.644   8.244  -7.483
  114   2HH1  ARG  11          1HH2      ARG  11 -17.997   9.243  -7.052
  115   1HH2  ARG  11          2HH1      ARG  11 -16.000  11.528  -5.176
  116   2HH2  ARG  11          1HH1      ARG  11 -17.614  11.145  -5.677
  117    QB   ARG  11           QB       ARG  11 -13.948   5.531  -7.403
  118    QG   ARG  11           QG       ARG  11 -14.400   7.092  -5.788
  119    QD   ARG  11           QD       ARG  11 -13.882   8.642  -7.681
  120    QH1  ARG  11           QH2      ARG  11 -17.321   8.744  -7.267
  121    QH2  ARG  11           QH1      ARG  11 -16.807  11.336  -5.427
  122    H    ALA  12           HN       ALA  12 -10.259   7.984  -7.115
  123    HA   ALA  12           HA       ALA  12  -8.962   6.555  -5.094
  124   1HB   ALA  12          1HB       ALA  12  -8.928   9.549  -5.522
  125   2HB   ALA  12          2HB       ALA  12  -7.926   8.696  -4.347
  126   3HB   ALA  12          3HB       ALA  12  -7.732   8.339  -6.066
  127    QB   ALA  12           QB       ALA  12  -8.195   8.861  -5.312
  128    H    THR  13           HN       THR  13  -9.541   6.002  -3.106
  129    HA   THR  13           HA       THR  13 -11.174   7.775  -1.398
  130    HB   THR  13           HB       THR  13 -12.143   5.569  -0.512
  131    HG1  THR  13          1HG       THR  13 -11.364   4.553  -3.034
  132   1HG2  THR  13          2HG2      THR  13 -13.448   7.094  -2.013
  133   2HG2  THR  13          3HG2      THR  13 -12.840   6.194  -3.415
  134   3HG2  THR  13          1HG2      THR  13 -13.864   5.381  -2.221
  135    QG2  THR  13           QG2      THR  13 -13.384   6.223  -2.550
  136    H    THR  14           HN       THR  14 -10.840   6.890   0.939
  137    HA   THR  14           HA       THR  14  -8.070   5.979   1.434
  138    HB   THR  14           HB       THR  14  -8.491   7.366   3.649
  139    HG1  THR  14          1HG       THR  14 -10.086   8.791   1.779
  140   1HG2  THR  14          3HG2      THR  14  -6.693   7.868   2.029
  141   2HG2  THR  14          1HG2      THR  14  -7.835   8.881   1.106
  142   3HG2  THR  14          2HG2      THR  14  -7.396   9.312   2.771
  143    QG2  THR  14           QG2      THR  14  -7.308   8.687   1.969
  144    H    LYS  15           HN       LYS  15  -7.871   4.899   3.582
  145    HA   LYS  15           HA       LYS  15 -10.308   4.329   5.024
  146   1HB   LYS  15          2HB       LYS  15  -8.622   2.120   3.769
  147   2HB   LYS  15          3HB       LYS  15  -9.454   1.890   5.302
  148   1HG   LYS  15          2HG       LYS  15 -11.611   2.562   4.213
  149   2HG   LYS  15          3HG       LYS  15 -10.787   2.527   2.649
  150   1HD   LYS  15          2HD       LYS  15 -10.102   0.143   3.113
  151   2HD   LYS  15          3HD       LYS  15 -11.072   0.182   4.587
  152   1HE   LYS  15          2HE       LYS  15 -12.032   0.414   1.688
  153   2HE   LYS  15          3HE       LYS  15 -12.312  -0.926   2.802
  154   1HZ   LYS  15          2HZ       LYS  15 -13.383   1.801   3.112
  155   2HZ   LYS  15          3HZ       LYS  15 -14.221   0.494   2.584
  156   3HZ   LYS  15          1HZ       LYS  15 -13.670   0.537   4.133
  157    QB   LYS  15           QB       LYS  15  -9.038   2.005   4.536
  158    QG   LYS  15           QG       LYS  15 -11.199   2.545   3.431
  159    QD   LYS  15           QD       LYS  15 -10.587   0.162   3.850
  160    QE   LYS  15           QE       LYS  15 -12.172  -0.256   2.245
  161    QZ   LYS  15           QZ       LYS  15 -13.758   0.944   3.277
  162    H    SER  16           HN       SER  16  -9.738   3.459   7.143
  163    HA   SER  16           HA       SER  16  -7.288   4.693   8.258
  164   1HB   SER  16          2HB       SER  16  -9.455   5.115   9.308
  165   2HB   SER  16          3HB       SER  16  -9.619   3.382   9.677
  166    HG   SER  16           HG       SER  16  -7.817   3.566  11.014
  167    QB   SER  16           QB       SER  16  -9.537   4.249   9.493
  168    H    CYS  17           HN       CYS  17  -5.930   3.282   9.687
  169    HA   CYS  17           HA       CYS  17  -6.484   0.438   9.808
  170   1HB   CYS  17          2HB       CYS  17  -5.209   0.757   7.626
  171   2HB   CYS  17          3HB       CYS  17  -3.792   1.017   8.678
  172    QB   CYS  17           QB       CYS  17  -4.500   0.887   8.152
  173    H    GLU  20           HN       GLU  20  -5.133  -0.665  11.325
  174    HA   GLU  20           HA       GLU  20  -4.255   0.899  13.562
  175   1HB   GLU  20          2HB       GLU  20  -3.965  -1.314  14.584
  176   2HB   GLU  20          3HB       GLU  20  -5.524  -1.148  13.774
  177   1HG   GLU  20          2HG       GLU  20  -4.385  -2.409  11.755
  178   2HG   GLU  20          3HG       GLU  20  -3.141  -2.818  12.944
  179    QB   GLU  20           QB       GLU  20  -4.745  -1.231  14.179
  180    QG   GLU  20           QG       GLU  20  -3.763  -2.613  12.349
  181    H    GLU  21           HN       GLU  21  -2.610  -0.975  10.989
  182    HA   GLU  21           HA       GLU  21  -0.009  -0.979  11.990
  183   1HB   GLU  21          2HB       GLU  21  -1.060  -0.651   9.187
  184   2HB   GLU  21          3HB       GLU  21   0.628  -0.719   9.451
  185   1HG   GLU  21          2HG       GLU  21  -1.024  -2.945  10.674
  186   2HG   GLU  21          3HG       GLU  21  -0.620  -2.988   8.958
  187    QB   GLU  21           QB       GLU  21  -0.216  -0.685   9.319
  188    QG   GLU  21           QG       GLU  21  -0.822  -2.966   9.816
  189    H    ASN  22           HN       ASN  22   1.784   0.220  11.423
  190    HA   ASN  22           HA       ASN  22   1.445   3.176  11.586
  191   1HB   ASN  22          2HB       ASN  22   3.100   2.149  13.065
  192   2HB   ASN  22          3HB       ASN  22   3.936   1.431  11.681
  193   1HD2  ASN  22          2HD2      ASN  22   5.951   4.311  11.343
  194   2HD2  ASN  22          1HD2      ASN  22   5.794   2.569  11.199
  195    QB   ASN  22           QB       ASN  22   3.518   1.790  12.373
  196    QD2  ASN  22           QD2      ASN  22   5.872   3.440  11.271
  197    H    SER  23           HN       SER  23   2.122   0.605   9.270
  198    HA   SER  23           HA       SER  23   3.326   2.505   7.380
  199   1HB   SER  23          2HB       SER  23   3.377  -0.514   7.397
  200   2HB   SER  23          3HB       SER  23   4.293   0.570   6.361
  201    HG   SER  23           HG       SER  23   5.441  -0.238   8.284
  202    QB   SER  23           QB       SER  23   3.835   0.028   6.879
  203    H    CYS  24           HN       CYS  24   2.921   1.987   5.104
  204    HA   CYS  24           HA       CYS  24   0.327   0.795   4.429
  205   1HB   CYS  24          2HB       CYS  24   1.029   3.651   3.637
  206   2HB   CYS  24          3HB       CYS  24  -0.453   2.759   3.244
  207    QB   CYS  24           QB       CYS  24   0.288   3.205   3.441
  208    OH   TYR  25           OH       TYR  25  -2.780  -4.381   0.147
  209    H    TYR  25           HN       TYR  25   0.327   0.134   2.225
  210    HA   TYR  25           HA       TYR  25   3.002   0.242   0.917
  211   1HB   TYR  25          2HB       TYR  25   2.886  -2.017   0.338
  212   2HB   TYR  25          3HB       TYR  25   2.530  -1.914   2.051
  213    HD1  TYR  25           HD1      TYR  25   1.177  -2.666  -1.307
  214    HD2  TYR  25           HD2      TYR  25   0.292  -2.480   2.900
  215    HE1  TYR  25           HE1      TYR  25  -0.998  -3.767  -1.725
  216    HE2  TYR  25           HE2      TYR  25  -1.818  -3.735   2.500
  217    HH   TYR  25           HH       TYR  25  -3.043  -4.399  -0.776
  218    QB   TYR  25           QB       TYR  25   2.708  -1.965   1.194
  219    QR   TYR  25           QR       TYR  25  -0.337  -3.162   0.592
  220    H    LYS  26           HN       LYS  26   3.065  -0.249  -1.285
  221    HA   LYS  26           HA       LYS  26   0.666   0.208  -2.940
  222   1HB   LYS  26          2HB       LYS  26   2.199   2.199  -2.810
  223   2HB   LYS  26          3HB       LYS  26   3.532   1.194  -3.404
  224   1HG   LYS  26          2HG       LYS  26   2.211   0.712  -5.485
  225   2HG   LYS  26          3HG       LYS  26   0.922   1.735  -4.863
  226   1HD   LYS  26          2HD       LYS  26   3.751   2.639  -5.626
  227   2HD   LYS  26          3HD       LYS  26   2.255   2.968  -6.508
  228   1HE   LYS  26          2HE       LYS  26   1.449   3.847  -4.114
  229   2HE   LYS  26          3HE       LYS  26   3.171   4.057  -3.819
  230   1HZ   LYS  26          3HZ       LYS  26   1.912   5.208  -6.216
  231   2HZ   LYS  26          1HZ       LYS  26   1.599   5.823  -4.758
  232   3HZ   LYS  26          2HZ       LYS  26   3.167   5.822  -5.326
  233    QB   LYS  26           QB       LYS  26   2.866   1.697  -3.107
  234    QG   LYS  26           QG       LYS  26   1.567   1.223  -5.174
  235    QD   LYS  26           QD       LYS  26   3.003   2.804  -6.067
  236    QE   LYS  26           QE       LYS  26   2.310   3.952  -3.967
  237    QZ   LYS  26           QZ       LYS  26   2.226   5.618  -5.433
  238    H    LYS  27           HN       LYS  27   0.564  -1.481  -4.512
  239    HA   LYS  27           HA       LYS  27   2.896  -3.297  -4.859
  240   1HB   LYS  27          2HB       LYS  27   1.425  -4.293  -3.181
  241   2HB   LYS  27          3HB       LYS  27   0.023  -4.027  -4.216
  242   1HG   LYS  27          2HG       LYS  27   1.066  -5.602  -5.927
  243   2HG   LYS  27          3HG       LYS  27   2.391  -5.830  -4.793
  244   1HD   LYS  27          2HD       LYS  27   1.023  -7.692  -4.324
  245   2HD   LYS  27          3HD       LYS  27   0.598  -6.539  -3.065
  246   1HE   LYS  27          2HE       LYS  27  -1.451  -7.502  -3.845
  247   2HE   LYS  27          3HE       LYS  27  -1.417  -5.844  -4.430
  248   1HZ   LYS  27          1HZ       LYS  27  -0.655  -6.745  -6.572
  249   2HZ   LYS  27          2HZ       LYS  27  -0.821  -8.274  -5.995
  250   3HZ   LYS  27          3HZ       LYS  27  -2.134  -7.298  -6.142
  251    QB   LYS  27           QB       LYS  27   0.724  -4.160  -3.698
  252    QG   LYS  27           QG       LYS  27   1.729  -5.716  -5.360
  253    QD   LYS  27           QD       LYS  27   0.811  -7.115  -3.695
  254    QE   LYS  27           QE       LYS  27  -1.434  -6.673  -4.138
  255    QZ   LYS  27           QZ       LYS  27  -1.203  -7.439  -6.236
  256    OH   TYR  28           OH       TYR  28   7.965  -1.108  -6.814
  257    H    TYR  28           HN       TYR  28   3.304  -3.384  -7.102
  258    HA   TYR  28           HA       TYR  28   1.061  -2.710  -8.896
  259   1HB   TYR  28          2HB       TYR  28   2.675  -1.152 -10.029
  260   2HB   TYR  28          3HB       TYR  28   2.047  -0.587  -8.509
  261    HD1  TYR  28           HD2      TYR  28   3.471  -0.729  -6.421
  262    HD2  TYR  28           HD1      TYR  28   5.098  -1.619 -10.302
  263    HE1  TYR  28           HE2      TYR  28   5.737  -0.429  -5.521
  264    HE2  TYR  28           HE1      TYR  28   7.386  -1.505  -9.350
  265    HH   TYR  28           HH       TYR  28   7.981  -1.132  -5.847
  266    QB   TYR  28           QB       TYR  28   2.361  -0.869  -9.269
  267    QR   TYR  28           QR       TYR  28   5.423  -1.071  -7.898
  268    CH2  TRP  29           CH2      TRP  29  -2.716  -5.655  -8.668
  269    H    TRP  29           HN       TRP  29   1.191  -3.461 -10.968
  270    HA   TRP  29           HA       TRP  29   3.513  -4.902 -11.927
  271   1HB   TRP  29          2HB       TRP  29   2.345  -6.977 -12.261
  272   2HB   TRP  29          3HB       TRP  29   2.431  -6.638 -10.550
  273    HD1  TRP  29           HD1      TRP  29   0.071  -7.325 -13.356
  274    HE1  TRP  29           HE1      TRP  29  -2.362  -7.266 -12.634
  275    HE3  TRP  29           HE3      TRP  29   0.687  -5.368  -8.668
  276    HZ2  TRP  29           HZ2      TRP  29  -3.879  -6.524 -10.269
  277    HZ3  TRP  29           HZ3      TRP  29  -1.290  -4.772  -7.308
  278    HH2  TRP  29           HH2      TRP  29  -3.579  -5.405  -8.067
  279    QB   TRP  29           QB       TRP  29   2.388  -6.808 -11.406
  280    NH1  ARG  30           NH2      ARG  30   5.507  -7.412 -16.839
  281    NH2  ARG  30           NH1      ARG  30   7.760  -7.093 -16.395
  282    H    ARG  30           HN       ARG  30   3.095  -5.490 -14.232
  283    HA   ARG  30           HA       ARG  30   1.970  -3.233 -15.553
  284   1HB   ARG  30          2HB       ARG  30   2.882  -5.919 -16.615
  285   2HB   ARG  30          3HB       ARG  30   2.528  -4.492 -17.575
  286   1HG   ARG  30          2HG       ARG  30   4.284  -3.211 -16.333
  287   2HG   ARG  30          3HG       ARG  30   4.740  -4.691 -15.487
  288   1HD   ARG  30          2HD       ARG  30   4.686  -5.290 -18.333
  289   2HD   ARG  30          3HD       ARG  30   5.489  -3.749 -18.134
  290    HE   ARG  30           HE       ARG  30   7.292  -4.741 -17.170
  291   1HH1  ARG  30          2HH2      ARG  30   4.627  -7.034 -17.154
  292   2HH1  ARG  30          1HH2      ARG  30   5.549  -8.384 -16.571
  293   1HH2  ARG  30          2HH1      ARG  30   8.572  -6.496 -16.361
  294   2HH2  ARG  30          1HH1      ARG  30   7.861  -8.054 -16.103
  295    QB   ARG  30           QB       ARG  30   2.705  -5.205 -17.095
  296    QG   ARG  30           QG       ARG  30   4.512  -3.951 -15.910
  297    QD   ARG  30           QD       ARG  30   5.087  -4.519 -18.234
  298    QH1  ARG  30           QH2      ARG  30   5.088  -7.709 -16.863
  299    QH2  ARG  30           QH1      ARG  30   8.217  -7.275 -16.232
  300    H    ASP  31           HN       ASP  31   0.221  -3.089 -16.938
  301    HA   ASP  31           HA       ASP  31  -1.706  -5.361 -17.035
  302   1HB   ASP  31          2HB       ASP  31  -2.728  -3.378 -15.991
  303   2HB   ASP  31          3HB       ASP  31  -2.316  -2.396 -17.409
  304    QB   ASP  31           QB       ASP  31  -2.522  -2.887 -16.700
  305    H    HIS  32           HN       HIS  32  -2.525  -3.350 -19.442
  306    HA   HIS  32           HA       HIS  32  -0.811  -4.770 -21.445
  307   1HB   HIS  32          2HB       HIS  32  -3.631  -3.653 -21.701
  308   2HB   HIS  32          3HB       HIS  32  -2.756  -4.614 -22.893
  309    HD1  HIS  32           HD1      HIS  32  -4.465  -4.951 -19.451
  310    HD2  HIS  32           HD2      HIS  32  -2.777  -7.303 -22.539
  311    HE1  HIS  32           HE1      HIS  32  -5.069  -7.381 -18.926
  312    HE2  HIS  32           HE2      HIS  32  -4.052  -8.812 -20.825
  313    QB   HIS  32           QB       HIS  32  -3.193  -4.134 -22.297
  314    NH1  ARG  33           NH2      ARG  33  -4.929   3.539 -22.933
  315    NH2  ARG  33           NH1      ARG  33  -4.309   3.837 -25.146
  316    H    ARG  33           HN       ARG  33  -2.553  -1.716 -20.773
  317    HA   ARG  33           HA       ARG  33  -0.531  -0.216 -22.386
  318   1HB   ARG  33          2HB       ARG  33  -2.228   1.237 -23.232
  319   2HB   ARG  33          3HB       ARG  33  -2.601  -0.432 -23.683
  320   1HG   ARG  33          2HG       ARG  33  -4.235  -0.497 -21.714
  321   2HG   ARG  33          3HG       ARG  33  -3.966   1.234 -21.519
  322   1HD   ARG  33          2HD       ARG  33  -5.188  -0.259 -23.857
  323   2HD   ARG  33          3HD       ARG  33  -5.976   0.943 -22.850
  324    HE   ARG  33           HE       ARG  33  -4.367   1.332 -25.217
  325   1HH1  ARG  33          2HH2      ARG  33  -5.126   2.911 -22.169
  326   2HH1  ARG  33          1HH2      ARG  33  -4.933   4.533 -22.759
  327   1HH2  ARG  33          2HH1      ARG  33  -4.080   3.461 -26.054
  328   2HH2  ARG  33          1HH1      ARG  33  -4.300   4.841 -25.032
  329    QB   ARG  33           QB       ARG  33  -2.415   0.402 -23.458
  330    QG   ARG  33           QG       ARG  33  -4.100   0.369 -21.616
  331    QD   ARG  33           QD       ARG  33  -5.582   0.342 -23.354
  332    QH1  ARG  33           QH2      ARG  33  -5.030   3.722 -22.464
  333    QH2  ARG  33           QH1      ARG  33  -4.190   4.151 -25.543
  334    H    GLY  34           HN       GLY  34  -0.420  -0.841 -19.600
  335   1HA   GLY  34          1HA       GLY  34   0.087   1.557 -18.293
  336   2HA   GLY  34          2HA       GLY  34  -1.623   1.171 -17.982
  337    QA   GLY  34           QA       GLY  34  -0.768   1.364 -18.137
  338    H    THR  35           HN       THR  35  -0.767   0.925 -15.712
  339    HA   THR  35           HA       THR  35   0.030  -1.865 -15.191
  340    HB   THR  35           HB       THR  35   1.868   0.022 -15.229
  341    HG1  THR  35          1HG       THR  35   1.571  -1.968 -13.259
  342   1HG2  THR  35          3HG2      THR  35   0.698   1.555 -13.679
  343   2HG2  THR  35          1HG2      THR  35   0.911   0.323 -12.389
  344   3HG2  THR  35          2HG2      THR  35   2.323   1.085 -13.129
  345    QG2  THR  35           QG2      THR  35   1.311   0.988 -13.066
  346    H    ILE  36           HN       ILE  36  -0.709  -2.642 -13.140
  347    HA   ILE  36           HA       ILE  36  -3.040  -1.190 -12.030
  348    HB   ILE  36           HB       ILE  36  -2.025  -3.903 -11.238
  349   1HG1  ILE  36          2HG1      ILE  36  -2.494  -4.121 -13.612
  350   2HG1  ILE  36          3HG1      ILE  36  -3.694  -4.965 -12.649
  351   1HG2  ILE  36          1HG2      ILE  36  -4.659  -2.409 -10.866
  352   2HG2  ILE  36          2HG2      ILE  36  -4.489  -4.137 -10.553
  353   3HG2  ILE  36          3HG2      ILE  36  -3.538  -2.978  -9.616
  354   1HD1  ILE  36          3HD1      ILE  36  -5.317  -3.121 -12.985
  355   2HD1  ILE  36          1HD1      ILE  36  -4.117  -2.255 -13.975
  356   3HD1  ILE  36          2HD1      ILE  36  -4.759  -3.818 -14.509
  357    QG1  ILE  36           QG1      ILE  36  -3.094  -4.543 -13.131
  358    QG2  ILE  36           QG2      ILE  36  -4.229  -3.175 -10.345
  359    QD1  ILE  36           QD1      ILE  36  -4.731  -3.065 -13.823
  360    H    ILE  37           HN       ILE  37  -2.926  -0.546  -9.759
  361    HA   ILE  37           HA       ILE  37  -0.354  -0.818  -8.324
  362    HB   ILE  37           HB       ILE  37  -1.794   1.839  -8.746
  363   1HG1  ILE  37          2HG1      ILE  37   0.745   2.376  -9.526
  364   2HG1  ILE  37          3HG1      ILE  37   0.724   0.679 -10.000
  365   1HG2  ILE  37          1HG2      ILE  37  -0.616   1.388  -6.461
  366   2HG2  ILE  37          2HG2      ILE  37   0.885   1.255  -7.391
  367   3HG2  ILE  37          3HG2      ILE  37  -0.022   2.783  -7.369
  368   1HD1  ILE  37          2HD1      ILE  37  -1.429   2.674 -10.800
  369   2HD1  ILE  37          3HD1      ILE  37   0.073   2.451 -11.708
  370   3HD1  ILE  37          1HD1      ILE  37  -1.057   1.091 -11.528
  371    QG1  ILE  37           QG1      ILE  37   0.735   1.528  -9.763
  372    QG2  ILE  37           QG2      ILE  37   0.082   1.809  -7.073
  373    QD1  ILE  37           QD1      ILE  37  -0.804   2.072 -11.345
  374    H    GLU  38           HN       GLU  38  -1.461  -2.290  -6.993
  375    HA   GLU  38           HA       GLU  38  -3.976  -1.557  -5.703
  376   1HB   GLU  38          2HB       GLU  38  -3.168  -3.963  -6.180
  377   2HB   GLU  38          3HB       GLU  38  -1.978  -3.689  -4.885
  378   1HG   GLU  38          2HG       GLU  38  -3.989  -4.929  -4.112
  379   2HG   GLU  38          3HG       GLU  38  -3.887  -3.374  -3.275
  380    QB   GLU  38           QB       GLU  38  -2.573  -3.826  -5.533
  381    QG   GLU  38           QG       GLU  38  -3.938  -4.151  -3.694
  382    NH1  ARG  39           NH2      ARG  39  -3.141   3.115  -6.512
  383    NH2  ARG  39           NH1      ARG  39  -1.971   5.069  -6.871
  384    H    ARG  39           HN       ARG  39  -4.076  -1.030  -3.348
  385    HA   ARG  39           HA       ARG  39  -1.536  -0.197  -2.088
  386   1HB   ARG  39          2HB       ARG  39  -4.059   1.479  -2.534
  387   2HB   ARG  39          3HB       ARG  39  -2.698   1.922  -1.508
  388   1HG   ARG  39          2HG       ARG  39  -1.196   1.993  -3.395
  389   2HG   ARG  39          3HG       ARG  39  -2.464   1.400  -4.485
  390   1HD   ARG  39          2HD       ARG  39  -3.877   3.392  -3.959
  391   2HD   ARG  39          3HD       ARG  39  -2.727   3.886  -2.784
  392    HE   ARG  39           HE       ARG  39  -1.306   4.668  -4.382
  393   1HH1  ARG  39          2HH2      ARG  39  -3.275   2.261  -5.980
  394   2HH1  ARG  39          1HH2      ARG  39  -3.718   3.205  -7.343
  395   1HH2  ARG  39          2HH1      ARG  39  -1.444   5.855  -6.470
  396   2HH2  ARG  39          1HH1      ARG  39  -2.251   5.119  -7.838
  397    QB   ARG  39           QB       ARG  39  -3.379   1.701  -2.021
  398    QG   ARG  39           QG       ARG  39  -1.830   1.697  -3.940
  399    QD   ARG  39           QD       ARG  39  -3.302   3.639  -3.371
  400    QH1  ARG  39           QH2      ARG  39  -3.496   2.733  -6.662
  401    QH2  ARG  39           QH1      ARG  39  -1.848   5.487  -7.154
  402    H    GLY  40           HN       GLY  40  -1.738  -0.151   0.245
  403   1HA   GLY  40          1HA       GLY  40  -4.259  -0.286   1.520
  404   2HA   GLY  40          2HA       GLY  40  -3.604  -1.933   1.433
  405    QA   GLY  40           QA       GLY  40  -3.931  -1.109   1.477
  406    H    CYS  41           HN       CYS  41  -3.622  -1.736   3.783
  407    HA   CYS  41           HA       CYS  41  -1.736   0.143   5.066
  408   1HB   CYS  41          2HB       CYS  41  -3.419   0.268   6.464
  409   2HB   CYS  41          3HB       CYS  41  -4.281  -1.103   5.755
  410    QB   CYS  41           QB       CYS  41  -3.850  -0.417   6.110
  411    H    GLY  42           HN       GLY  42  -0.218  -0.603   6.617
  412   1HA   GLY  42          1HA       GLY  42   1.287  -2.132   7.562
  413   2HA   GLY  42          2HA       GLY  42   0.541  -3.464   6.667
  414    QA   GLY  42           QA       GLY  42   0.914  -2.798   7.114
  415    H    CYS  43           HN       CYS  43   2.915  -3.945   6.373
  416    HA   CYS  43           HA       CYS  43   3.766  -2.944   3.713
  417   1HB   CYS  43          2HB       CYS  43   5.000  -1.538   5.264
  418   2HB   CYS  43          3HB       CYS  43   5.607  -2.962   6.123
  419    QB   CYS  43           QB       CYS  43   5.303  -2.250   5.693
  420    HA   PRO  44           HA       PRO  44   3.940  -7.507   4.558
  421   1HB   PRO  44          2HB       PRO  44   2.172  -8.451   2.713
  422   2HB   PRO  44          3HB       PRO  44   1.634  -7.703   4.244
  423   1HG   PRO  44          2HG       PRO  44   1.881  -6.372   1.527
  424   2HG   PRO  44          3HG       PRO  44   0.469  -6.356   2.628
  425   1HD   PRO  44          2HD       PRO  44   2.302  -4.333   2.571
  426   2HD   PRO  44          3HD       PRO  44   1.518  -4.848   4.094
  427    QB   PRO  44           QB       PRO  44   1.903  -8.077   3.479
  428    QG   PRO  44           QG       PRO  44   1.175  -6.364   2.077
  429    QD   PRO  44           QD       PRO  44   1.910  -4.590   3.333
  430    H    LYS  45           HN       LYS  45   4.695  -9.274   3.173
  431    HA   LYS  45           HA       LYS  45   6.405  -8.478   0.932
  432   1HB   LYS  45          2HB       LYS  45   7.063 -10.233   2.483
  433   2HB   LYS  45          3HB       LYS  45   5.644 -11.194   2.082
  434   1HG   LYS  45          2HG       LYS  45   7.633 -12.119   1.090
  435   2HG   LYS  45          3HG       LYS  45   6.559 -11.591  -0.176
  436   1HD   LYS  45          2HD       LYS  45   8.829 -11.038  -0.755
  437   2HD   LYS  45          3HD       LYS  45   7.998  -9.509  -0.464
  438   1HE   LYS  45          2HE       LYS  45   8.999  -9.353   1.800
  439   2HE   LYS  45          3HE       LYS  45   9.741 -10.950   1.597
  440   1HZ   LYS  45          3HZ       LYS  45  11.022 -10.003  -0.233
  441   2HZ   LYS  45          1HZ       LYS  45  10.369  -8.517   0.059
  442   3HZ   LYS  45          2HZ       LYS  45  11.311  -9.242   1.193
  443    QB   LYS  45           QB       LYS  45   6.354 -10.713   2.283
  444    QG   LYS  45           QG       LYS  45   7.096 -11.855   0.457
  445    QD   LYS  45           QD       LYS  45   8.414 -10.273  -0.609
  446    QE   LYS  45           QE       LYS  45   9.370 -10.152   1.698
  447    QZ   LYS  45           QZ       LYS  45  10.901  -9.254   0.340
  448    H    VAL  46           HN       VAL  46   6.110  -9.694  -1.094
  449    HA   VAL  46           HA       VAL  46   3.335 -10.298  -1.891
  450    HB   VAL  46           HB       VAL  46   3.495  -8.947  -3.892
  451   1HG1  VAL  46          1HG1      VAL  46   2.548  -7.880  -1.856
  452   2HG1  VAL  46          2HG1      VAL  46   4.148  -7.239  -1.447
  453   3HG1  VAL  46          3HG1      VAL  46   3.336  -6.691  -2.913
  454   1HG2  VAL  46          1HG2      VAL  46   5.968  -8.981  -4.239
  455   2HG2  VAL  46          2HG2      VAL  46   5.284  -7.367  -4.338
  456   3HG2  VAL  46          3HG2      VAL  46   6.154  -7.868  -2.869
  457    QG1  VAL  46           QG1      VAL  46   3.344  -7.270  -2.072
  458    QG2  VAL  46           QG2      VAL  46   5.802  -8.072  -3.815
  459    QQG  VAL  46           QQG      VAL  46   4.573  -7.671  -2.944
  460    H    LYS  47           HN       LYS  47   3.331 -11.521  -3.933
  461    HA   LYS  47           HA       LYS  47   5.385 -13.507  -4.011
  462   1HB   LYS  47          2HB       LYS  47   4.243 -14.287  -6.058
  463   2HB   LYS  47          3HB       LYS  47   3.172 -14.041  -4.693
  464   1HG   LYS  47          2HG       LYS  47   2.511 -11.796  -5.750
  465   2HG   LYS  47          3HG       LYS  47   3.566 -12.163  -7.101
  466   1HD   LYS  47          2HD       LYS  47   1.055 -13.644  -6.202
  467   2HD   LYS  47          3HD       LYS  47   1.233 -12.668  -7.656
  468   1HE   LYS  47          2HE       LYS  47   2.541 -15.373  -7.057
  469   2HE   LYS  47          3HE       LYS  47   1.263 -15.045  -8.218
  470   1HZ   LYS  47          3HZ       LYS  47   4.011 -13.929  -8.447
  471   2HZ   LYS  47          1HZ       LYS  47   3.436 -15.251  -9.238
  472   3HZ   LYS  47          2HZ       LYS  47   2.784 -13.778  -9.534
  473    QB   LYS  47           QB       LYS  47   3.708 -14.164  -5.375
  474    QG   LYS  47           QG       LYS  47   3.038 -11.979  -6.426
  475    QD   LYS  47           QD       LYS  47   1.144 -13.156  -6.929
  476    QE   LYS  47           QE       LYS  47   1.902 -15.209  -7.637
  477    QZ   LYS  47           QZ       LYS  47   3.411 -14.319  -9.073
  478    HA   PRO  48           HA       PRO  48   8.254 -11.528  -6.770
  479   1HB   PRO  48          2HB       PRO  48   9.335 -13.609  -8.197
  480   2HB   PRO  48          3HB       PRO  48   9.691 -13.294  -6.475
  481   1HG   PRO  48          2HG       PRO  48   7.713 -15.260  -7.619
  482   2HG   PRO  48          3HG       PRO  48   8.902 -15.531  -6.312
  483   1HD   PRO  48          2HD       PRO  48   6.267 -14.975  -5.860
  484   2HD   PRO  48          3HD       PRO  48   7.486 -14.393  -4.725
  485    QB   PRO  48           QB       PRO  48   9.513 -13.451  -7.336
  486    QG   PRO  48           QG       PRO  48   8.308 -15.395  -6.966
  487    QD   PRO  48           QD       PRO  48   6.877 -14.684  -5.292
  488    H    GLY  49           HN       GLY  49   8.556 -11.040  -9.054
  489   1HA   GLY  49          1HA       GLY  49   7.805 -10.373 -11.061
  490   2HA   GLY  49          2HA       GLY  49   6.671 -11.725 -11.050
  491    QA   GLY  49           QA       GLY  49   7.238 -11.049 -11.056
  492    H    VAL  50           HN       VAL  50   6.542  -9.512  -8.321
  493    HA   VAL  50           HA       VAL  50   4.587  -7.686  -9.575
  494    HB   VAL  50           HB       VAL  50   4.147  -9.251  -6.979
  495   1HG1  VAL  50          2HG1      VAL  50   2.531  -6.979  -8.200
  496   2HG1  VAL  50          3HG1      VAL  50   2.009  -7.995  -6.841
  497   3HG1  VAL  50          1HG1      VAL  50   3.421  -6.948  -6.665
  498   1HG2  VAL  50          3HG2      VAL  50   2.592  -9.206  -9.605
  499   2HG2  VAL  50          1HG2      VAL  50   3.512 -10.576  -8.946
  500   3HG2  VAL  50          2HG2      VAL  50   2.057 -10.013  -8.115
  501    QG1  VAL  50           QG1      VAL  50   2.654  -7.307  -7.235
  502    QG2  VAL  50           QG2      VAL  50   2.720  -9.932  -8.889
  503    QQG  VAL  50           QQG      VAL  50   2.687  -8.620  -8.062
  504    H    GLY  51           HN       GLY  51   5.173  -5.559  -8.982
  505   1HA   GLY  51          1HA       GLY  51   7.464  -5.278  -7.311
  506   2HA   GLY  51          2HA       GLY  51   6.695  -3.983  -8.190
  507    QA   GLY  51           QA       GLY  51   7.079  -4.630  -7.751
  508    H    ILE  52           HN       ILE  52   7.439  -3.504  -5.708
  509    HA   ILE  52           HA       ILE  52   4.969  -3.019  -4.246
  510    HB   ILE  52           HB       ILE  52   5.520  -5.280  -3.572
  511   1HG1  ILE  52          2HG1      ILE  52   4.621  -3.468  -1.913
  512   2HG1  ILE  52          3HG1      ILE  52   4.978  -5.111  -1.421
  513   1HG2  ILE  52          2HG2      ILE  52   8.205  -4.218  -2.619
  514   2HG2  ILE  52          3HG2      ILE  52   7.547  -5.832  -2.274
  515   3HG2  ILE  52          1HG2      ILE  52   7.910  -5.365  -3.939
  516   1HD1  ILE  52          3HD1      ILE  52   6.985  -2.880  -0.977
  517   2HD1  ILE  52          1HD1      ILE  52   5.749  -3.381   0.189
  518   3HD1  ILE  52          2HD1      ILE  52   6.994  -4.526  -0.324
  519    QG1  ILE  52           QG1      ILE  52   4.800  -4.289  -1.667
  520    QG2  ILE  52           QG2      ILE  52   7.887  -5.138  -2.944
  521    QD1  ILE  52           QD1      ILE  52   6.576  -3.596  -0.371
  522    H    HIS  53           HN       HIS  53   5.197  -1.410  -2.582
  523    HA   HIS  53           HA       HIS  53   7.816  -0.665  -1.711
  524   1HB   HIS  53          2HB       HIS  53   7.393   0.811  -3.814
  525   2HB   HIS  53          3HB       HIS  53   6.100   1.564  -2.904
  526    HD1  HIS  53           HD1      HIS  53   7.171   3.945  -2.460
  527    HD2  HIS  53           HD2      HIS  53   9.662   0.672  -1.481
  528    HE1  HIS  53           HE1      HIS  53   9.211   4.906  -1.233
  529    HE2  HIS  53           HE2      HIS  53  10.698   2.905  -0.625
  530    QB   HIS  53           QB       HIS  53   6.746   1.187  -3.359
  531    H    CYS  54           HN       CYS  54   7.559   0.627   0.411
  532    HA   CYS  54           HA       CYS  54   4.836   1.240   1.148
  533   1HB   CYS  54          2HB       CYS  54   4.795  -0.214   2.943
  534   2HB   CYS  54          3HB       CYS  54   5.524  -1.222   1.711
  535    QB   CYS  54           QB       CYS  54   5.159  -0.718   2.327
  536    H    CYS  55           HN       CYS  55   4.761   2.273   3.268
  537    HA   CYS  55           HA       CYS  55   7.036   4.000   3.963
  538   1HB   CYS  55          2HB       CYS  55   5.760   6.036   3.270
  539   2HB   CYS  55          3HB       CYS  55   6.377   5.031   1.982
  540    QB   CYS  55           QB       CYS  55   6.069   5.533   2.626
  541    H    GLN  56           HN       GLN  56   6.215   5.661   5.549
  542    HA   GLN  56           HA       GLN  56   4.498   4.189   7.526
  543   1HB   GLN  56          2HB       GLN  56   7.047   5.721   8.064
  544   2HB   GLN  56          3HB       GLN  56   6.045   4.863   9.227
  545   1HG   GLN  56          2HG       GLN  56   7.680   3.306   8.885
  546   2HG   GLN  56          3HG       GLN  56   6.427   2.746   7.775
  547   1HE2  GLN  56          2HE2      GLN  56   8.844   2.779   5.165
  548   2HE2  GLN  56          1HE2      GLN  56   7.459   1.986   5.900
  549    QB   GLN  56           QB       GLN  56   6.546   5.292   8.646
  550    QG   GLN  56           QG       GLN  56   7.053   3.026   8.330
  551    QE2  GLN  56           QE2      GLN  56   8.152   2.383   5.533
  552    H    SER  57           HN       SER  57   3.878   6.742   5.801
  553    HA   SER  57           HA       SER  57   3.175   8.543   8.082
  554   1HB   SER  57          2HB       SER  57   3.108   9.805   5.454
  555   2HB   SER  57          3HB       SER  57   3.936  10.288   6.927
  556    HG   SER  57           HG       SER  57   5.570   8.730   6.398
  557    QB   SER  57           QB       SER  57   3.522  10.047   6.191
  558    H    ASP  58           HN       ASP  58   1.134   9.603   8.018
  559    HA   ASP  58           HA       ASP  58  -1.083   8.077   7.018
  560   1HB   ASP  58          2HB       ASP  58  -0.790  10.909   8.104
  561   2HB   ASP  58          3HB       ASP  58  -2.327  10.291   7.479
  562    QB   ASP  58           QB       ASP  58  -1.559  10.600   7.791
  563    H    LYS  59           HN       LYS  59  -2.026   8.184   5.056
  564    HA   LYS  59           HA       LYS  59  -2.254   8.492   2.806
  565   1HB   LYS  59          2HB       LYS  59  -1.963  11.367   3.738
  566   2HB   LYS  59          3HB       LYS  59  -2.485  10.895   2.127
  567   1HG   LYS  59          2HG       LYS  59  -4.513   9.907   2.889
  568   2HG   LYS  59          3HG       LYS  59  -3.881   9.713   4.520
  569   1HD   LYS  59          2HD       LYS  59  -5.440  11.388   4.758
  570   2HD   LYS  59          3HD       LYS  59  -3.883  12.191   4.839
  571   1HE   LYS  59          2HE       LYS  59  -5.932  12.203   2.558
  572   2HE   LYS  59          3HE       LYS  59  -5.416  13.553   3.576
  573   1HZ   LYS  59          3HZ       LYS  59  -3.156  13.146   2.540
  574   2HZ   LYS  59          1HZ       LYS  59  -3.953  12.251   1.397
  575   3HZ   LYS  59          2HZ       LYS  59  -4.309  13.842   1.592
  576    QB   LYS  59           QB       LYS  59  -2.224  11.131   2.932
  577    QG   LYS  59           QG       LYS  59  -4.197   9.810   3.704
  578    QD   LYS  59           QD       LYS  59  -4.662  11.790   4.799
  579    QE   LYS  59           QE       LYS  59  -5.674  12.878   3.067
  580    QZ   LYS  59           QZ       LYS  59  -3.806  13.080   1.843
  581    H    CYS  60           HN       CYS  60   0.490   7.892   3.603
  582    HA   CYS  60           HA       CYS  60   2.188   9.334   1.743
  583   1HB   CYS  60          2HB       CYS  60   3.906   7.857   2.431
  584   2HB   CYS  60          3HB       CYS  60   2.934   8.301   3.826
  585    QB   CYS  60           QB       CYS  60   3.420   8.079   3.129
  586    H    ASN  61           HN       ASN  61   0.336   6.276   1.597
  587    HA   ASN  61           HA       ASN  61   1.605   5.496  -0.898
  588   1HB   ASN  61          2HB       ASN  61   0.485   3.427  -0.651
  589   2HB   ASN  61          3HB       ASN  61   1.162   3.858   0.924
  590   1HD2  ASN  61          2HD2      ASN  61  -2.488   2.609   1.066
  591   2HD2  ASN  61          1HD2      ASN  61  -0.997   1.968   0.361
  592    QB   ASN  61           QB       ASN  61   0.824   3.643   0.136
  593    QD2  ASN  61           QD2      ASN  61  -1.743   2.288   0.713
  594    OH   TYR  62           OH       TYR  62  -6.266  11.246  -5.173
  595    H    TYR  62           HN       TYR  62   0.409   7.798  -1.696
  596    HA   TYR  62           HA       TYR  62  -2.186   7.074  -2.992
  597   1HB   TYR  62          2HB       TYR  62  -1.048   9.494  -2.447
  598   2HB   TYR  62          3HB       TYR  62  -0.597   9.285  -4.119
  599    HD1  TYR  62           HD1      TYR  62  -2.884   8.264  -5.604
  600    HD2  TYR  62           HD2      TYR  62  -2.620  11.205  -2.476
  601    HE1  TYR  62           HE1      TYR  62  -5.057   9.149  -6.277
  602    HE2  TYR  62           HE2      TYR  62  -4.775  12.162  -3.225
  603    HH   TYR  62           HH       TYR  62  -6.588  10.926  -6.018
  604    QB   TYR  62           QB       TYR  62  -0.823   9.390  -3.283
  605    QR   TYR  62           QR       TYR  62  -3.834  10.195  -4.396
   
  Start of MODEL          19
 Raw file had 605 H/Q atoms
  Start of MODEL   19
    1    NH1  ARG   1           NH2      ARG   1   1.139   8.475  11.654
    2    NH2  ARG   1           NH1      ARG   1   3.121   7.581  10.867
    3    H    ARG   1           HN       ARG   1  -4.433   4.354  11.884
    4    HA   ARG   1           HA       ARG   1  -3.335   6.940  10.913
    5   1HB   ARG   1          2HB       ARG   1  -2.487   4.100  10.572
    6   2HB   ARG   1          3HB       ARG   1  -2.311   5.129   9.170
    7   1HG   ARG   1          2HG       ARG   1  -1.190   6.066  11.854
    8   2HG   ARG   1          3HG       ARG   1  -0.423   4.822  10.864
    9   1HD   ARG   1          2HD       ARG   1  -0.520   6.423   8.896
   10   2HD   ARG   1          3HD       ARG   1  -0.830   7.715  10.040
   11    HE   ARG   1           HE       ARG   1   1.544   5.901   9.742
   12   1HH1  ARG   1          2HH2      ARG   1   0.133   8.448  11.712
   13   2HH1  ARG   1          1HH2      ARG   1   1.631   9.161  12.207
   14   1HH2  ARG   1          2HH1      ARG   1   3.653   7.048  10.175
   15   2HH2  ARG   1          1HH1      ARG   1   3.658   8.212  11.440
   16    QB   ARG   1           QB       ARG   1  -2.399   4.614   9.871
   17    QG   ARG   1           QG       ARG   1  -0.807   5.444  11.359
   18    QD   ARG   1           QD       ARG   1  -0.675   7.069   9.468
   19    QH1  ARG   1           QH2      ARG   1   0.882   8.805  11.960
   20    QH2  ARG   1           QH1      ARG   1   3.656   7.630  10.808
   21    H    ILE   2           HN       ILE   2  -3.491   6.915   8.371
   22    HA   ILE   2           HA       ILE   2  -5.937   5.647   7.330
   23    HB   ILE   2           HB       ILE   2  -4.875   8.352   6.571
   24   1HG1  ILE   2          2HG1      ILE   2  -5.887   8.610   8.800
   25   2HG1  ILE   2          3HG1      ILE   2  -6.768   9.474   7.554
   26   1HG2  ILE   2          3HG2      ILE   2  -5.983   7.217   4.727
   27   2HG2  ILE   2          1HG2      ILE   2  -7.446   7.004   5.706
   28   3HG2  ILE   2          2HG2      ILE   2  -6.904   8.635   5.241
   29   1HD1  ILE   2          2HD1      ILE   2  -7.619   6.783   8.694
   30   2HD1  ILE   2          3HD1      ILE   2  -8.268   8.363   9.157
   31   3HD1  ILE   2          1HD1      ILE   2  -8.528   7.759   7.515
   32    QG1  ILE   2           QG1      ILE   2  -6.328   9.042   8.177
   33    QG2  ILE   2           QG2      ILE   2  -6.777   7.618   5.225
   34    QD1  ILE   2           QD1      ILE   2  -8.138   7.635   8.455
   35    H    CYS   3           HN       CYS   3  -5.448   4.672   5.331
   36    HA   CYS   3           HA       CYS   3  -2.787   5.248   4.105
   37   1HB   CYS   3          2HB       CYS   3  -4.043   2.517   4.579
   38   2HB   CYS   3          3HB       CYS   3  -2.704   2.820   3.473
   39    QB   CYS   3           QB       CYS   3  -3.374   2.669   4.026
   40    OH   TYR   4           OH       TYR   4  -4.179  10.992  -1.800
   41    H    TYR   4           HN       TYR   4  -2.798   5.022   1.858
   42    HA   TYR   4           HA       TYR   4  -5.381   5.456   0.588
   43   1HB   TYR   4          2HB       TYR   4  -2.513   5.289  -0.290
   44   2HB   TYR   4          3HB       TYR   4  -3.679   4.922  -1.496
   45    HD1  TYR   4           HD1      TYR   4  -5.867   6.882  -1.011
   46    HD2  TYR   4           HD2      TYR   4  -1.626   7.445  -0.523
   47    HE1  TYR   4           HE1      TYR   4  -6.116   9.229  -1.680
   48    HE2  TYR   4           HE2      TYR   4  -1.922   9.863  -0.969
   49    HH   TYR   4           HH       TYR   4  -3.365  11.501  -1.778
   50    QB   TYR   4           QB       TYR   4  -3.096   5.105  -0.893
   51    QR   TYR   4           QR       TYR   4  -3.883   8.355  -1.046
   52    H    ASN   5           HN       ASN   5  -6.588   4.004  -0.561
   53    HA   ASN   5           HA       ASN   5  -5.585   1.208  -0.775
   54   1HB   ASN   5          2HB       ASN   5  -7.817   0.370  -0.598
   55   2HB   ASN   5          3HB       ASN   5  -7.252   1.184   0.862
   56   1HD2  ASN   5          2HD2      ASN   5 -10.744   2.211   0.414
   57   2HD2  ASN   5          1HD2      ASN   5  -9.964   0.634   0.443
   58    QB   ASN   5           QB       ASN   5  -7.534   0.777   0.132
   59    QD2  ASN   5           QD2      ASN   5 -10.354   1.422   0.428
   60    H    HIS   6           HN       HIS   6  -6.913   4.001  -2.491
   61    HA   HIS   6           HA       HIS   6  -8.018   3.095  -4.646
   62   1HB   HIS   6          2HB       HIS   6  -6.989   4.680  -6.178
   63   2HB   HIS   6          3HB       HIS   6  -7.680   5.275  -4.701
   64    HD1  HIS   6           HD1      HIS   6  -5.104   6.531  -6.730
   65    HD2  HIS   6           HD2      HIS   6  -5.395   5.399  -2.703
   66    HE1  HIS   6           HE1      HIS   6  -3.232   7.855  -5.413
   67    HE2  HIS   6           HE2      HIS   6  -3.486   7.164  -3.012
   68    QB   HIS   6           QB       HIS   6  -7.334   4.978  -5.440
   69    H    GLN   7           HN       GLN   7  -7.909   1.713  -6.101
   70    HA   GLN   7           HA       GLN   7  -5.372   0.354  -6.848
   71   1HB   GLN   7          2HB       GLN   7  -8.303  -0.299  -7.358
   72   2HB   GLN   7          3HB       GLN   7  -6.942  -1.327  -7.807
   73   1HG   GLN   7          2HG       GLN   7  -6.345  -1.546  -5.368
   74   2HG   GLN   7          3HG       GLN   7  -7.777  -0.583  -4.962
   75   1HE2  GLN   7          2HE2      GLN   7  -8.372  -4.358  -6.554
   76   2HE2  GLN   7          1HE2      GLN   7  -6.959  -3.438  -7.046
   77    QB   GLN   7           QB       GLN   7  -7.623  -0.813  -7.583
   78    QG   GLN   7           QG       GLN   7  -7.061  -1.064  -5.165
   79    QE2  GLN   7           QE2      GLN   7  -7.665  -3.898  -6.800
   80    H    SER   8           HN       SER   8  -5.790  -0.451  -9.375
   81    HA   SER   8           HA       SER   8  -5.970   1.904 -11.035
   82   1HB   SER   8          2HB       SER   8  -6.056  -1.026 -11.786
   83   2HB   SER   8          3HB       SER   8  -6.119   0.324 -12.937
   84    HG   SER   8           HG       SER   8  -3.980  -0.154 -12.701
   85    QB   SER   8           QB       SER   8  -6.087  -0.351 -12.362
   86    H    THR   9           HN       THR   9  -8.156   2.502  -9.883
   87    HA   THR   9           HA       THR   9 -10.374   1.765 -11.688
   88    HB   THR   9           HB       THR   9 -10.873   1.355  -8.723
   89    HG1  THR   9          1HG       THR   9  -9.825  -0.437 -10.626
   90   1HG2  THR   9          1HG2      THR   9 -12.232   0.366 -11.287
   91   2HG2  THR   9          2HG2      THR   9 -12.736  -0.036  -9.636
   92   3HG2  THR   9          3HG2      THR   9 -12.840   1.638 -10.209
   93    QG2  THR   9           QG2      THR   9 -12.603   0.656 -10.377
   94    H    THR  10           HN       THR  10  -9.337   4.030 -11.930
   95    HA   THR  10           HA       THR  10  -9.710   6.346 -11.841
   96    HB   THR  10           HB       THR  10 -11.778   6.964 -12.488
   97    HG1  THR  10          1HG       THR  10 -13.558   5.360 -12.181
   98   1HG2  THR  10          2HG2      THR  10 -10.632   5.335 -14.004
   99   2HG2  THR  10          3HG2      THR  10 -11.617   4.034 -13.299
  100   3HG2  THR  10          1HG2      THR  10 -12.394   5.360 -14.179
  101    QG2  THR  10           QG2      THR  10 -11.548   4.910 -13.827
  102    NH1  ARG  11           NH2      ARG  11 -16.574   8.411  -9.397
  103    NH2  ARG  11           NH1      ARG  11 -16.883  10.587 -10.126
  104    H    ARG  11           HN       ARG  11 -12.226   6.937 -10.391
  105    HA   ARG  11           HA       ARG  11 -11.370   8.928  -8.741
  106   1HB   ARG  11          2HB       ARG  11 -13.709   8.539  -9.296
  107   2HB   ARG  11          3HB       ARG  11 -13.786   7.171  -8.165
  108   1HG   ARG  11          2HG       ARG  11 -13.289   8.677  -6.274
  109   2HG   ARG  11          3HG       ARG  11 -13.112  10.050  -7.373
  110   1HD   ARG  11          2HD       ARG  11 -15.686   8.460  -6.899
  111   2HD   ARG  11          3HD       ARG  11 -15.264   9.986  -6.160
  112    HE   ARG  11           HE       ARG  11 -15.532  11.182  -8.108
  113   1HH1  ARG  11          2HH2      ARG  11 -16.152   7.764  -8.749
  114   2HH1  ARG  11          1HH2      ARG  11 -17.118   8.041 -10.162
  115   1HH2  ARG  11          2HH1      ARG  11 -16.744  11.581 -10.015
  116   2HH2  ARG  11          1HH1      ARG  11 -17.414  10.269 -10.924
  117    QB   ARG  11           QB       ARG  11 -13.748   7.855  -8.731
  118    QG   ARG  11           QG       ARG  11 -13.201   9.363  -6.824
  119    QD   ARG  11           QD       ARG  11 -15.475   9.223  -6.529
  120    QH1  ARG  11           QH2      ARG  11 -16.635   7.903  -9.455
  121    QH2  ARG  11           QH1      ARG  11 -17.079  10.925 -10.469
  122    H    ALA  12           HN       ALA  12  -9.887   8.972  -7.179
  123    HA   ALA  12           HA       ALA  12  -8.995   6.638  -5.904
  124   1HB   ALA  12          3HB       ALA  12  -7.525   8.539  -6.367
  125   2HB   ALA  12          1HB       ALA  12  -8.429   9.551  -5.219
  126   3HB   ALA  12          2HB       ALA  12  -7.494   8.158  -4.632
  127    QB   ALA  12           QB       ALA  12  -7.816   8.750  -5.406
  128    H    THR  13           HN       THR  13  -8.745   6.257  -3.559
  129    HA   THR  13           HA       THR  13 -10.817   7.210  -1.749
  130    HB   THR  13           HB       THR  13 -11.261   4.721  -1.245
  131    HG1  THR  13          1HG       THR  13 -10.841   3.317  -2.994
  132   1HG2  THR  13          3HG2      THR  13 -12.918   6.179  -2.441
  133   2HG2  THR  13          1HG2      THR  13 -12.219   5.657  -3.987
  134   3HG2  THR  13          2HG2      THR  13 -12.999   4.476  -2.923
  135    QG2  THR  13           QG2      THR  13 -12.712   5.437  -3.117
  136    H    THR  14           HN       THR  14 -10.230   6.738   0.401
  137    HA   THR  14           HA       THR  14  -7.536   5.631   0.996
  138    HB   THR  14           HB       THR  14  -7.842   7.113   3.095
  139    HG1  THR  14          1HG       THR  14 -10.051   7.577   2.822
  140   1HG2  THR  14          2HG2      THR  14  -7.583   8.543   0.420
  141   2HG2  THR  14          3HG2      THR  14  -7.149   9.206   2.004
  142   3HG2  THR  14          1HG2      THR  14  -6.265   7.808   1.373
  143    QG2  THR  14           QG2      THR  14  -6.999   8.519   1.266
  144    H    LYS  15           HN       LYS  15  -7.552   4.626   3.291
  145    HA   LYS  15           HA       LYS  15 -10.171   4.358   4.469
  146   1HB   LYS  15          2HB       LYS  15  -9.789   2.326   2.907
  147   2HB   LYS  15          3HB       LYS  15  -8.629   1.764   4.113
  148   1HG   LYS  15          2HG       LYS  15 -11.248   2.543   5.248
  149   2HG   LYS  15          3HG       LYS  15 -11.445   1.392   3.954
  150   1HD   LYS  15          2HD       LYS  15  -9.463   0.951   6.241
  151   2HD   LYS  15          3HD       LYS  15 -11.145   0.457   6.373
  152   1HE   LYS  15          2HE       LYS  15  -9.191  -0.517   4.216
  153   2HE   LYS  15          3HE       LYS  15  -9.565  -1.367   5.717
  154   1HZ   LYS  15          3HZ       LYS  15 -11.861  -1.502   5.012
  155   2HZ   LYS  15          1HZ       LYS  15 -11.500  -0.766   3.586
  156   3HZ   LYS  15          2HZ       LYS  15 -10.858  -2.232   3.943
  157    QB   LYS  15           QB       LYS  15  -9.209   2.045   3.510
  158    QG   LYS  15           QG       LYS  15 -11.346   1.968   4.601
  159    QD   LYS  15           QD       LYS  15 -10.304   0.704   6.307
  160    QE   LYS  15           QE       LYS  15  -9.378  -0.942   4.967
  161    QZ   LYS  15           QZ       LYS  15 -11.407  -1.500   4.180
  162    H    SER  16           HN       SER  16  -9.814   3.127   6.640
  163    HA   SER  16           HA       SER  16  -7.696   4.627   7.988
  164   1HB   SER  16          2HB       SER  16  -9.887   4.388   9.074
  165   2HB   SER  16          3HB       SER  16  -9.577   2.645   9.272
  166    HG   SER  16           HG       SER  16  -7.846   4.721  10.223
  167    QB   SER  16           QB       SER  16  -9.732   3.516   9.173
  168    H    CYS  17           HN       CYS  17  -6.284   3.441   9.642
  169    HA   CYS  17           HA       CYS  17  -5.450   0.715   8.921
  170   1HB   CYS  17          2HB       CYS  17  -4.244   2.056   7.291
  171   2HB   CYS  17          3HB       CYS  17  -3.651   3.110   8.571
  172    QB   CYS  17           QB       CYS  17  -3.947   2.583   7.931
  173    H    GLU  20           HN       GLU  20  -4.745  -0.298  10.715
  174    HA   GLU  20           HA       GLU  20  -4.659   1.114  13.271
  175   1HB   GLU  20          2HB       GLU  20  -4.557  -1.160  14.173
  176   2HB   GLU  20          3HB       GLU  20  -5.818  -1.019  12.942
  177   1HG   GLU  20          2HG       GLU  20  -4.095  -1.993  11.258
  178   2HG   GLU  20          3HG       GLU  20  -3.146  -2.438  12.687
  179    QB   GLU  20           QB       GLU  20  -5.187  -1.090  13.558
  180    QG   GLU  20           QG       GLU  20  -3.621  -2.216  11.973
  181    H    GLU  21           HN       GLU  21  -2.435  -0.739  11.229
  182    HA   GLU  21           HA       GLU  21  -0.002  -0.425  12.604
  183   1HB   GLU  21          2HB       GLU  21  -0.843  -1.016   9.834
  184   2HB   GLU  21          3HB       GLU  21   0.538  -0.117   9.855
  185   1HG   GLU  21          2HG       GLU  21   0.421  -2.503  11.692
  186   2HG   GLU  21          3HG       GLU  21   0.728  -2.728   9.971
  187    QB   GLU  21           QB       GLU  21  -0.153  -0.566   9.844
  188    QG   GLU  21           QG       GLU  21   0.575  -2.616  10.832
  189    H    ASN  22           HN       ASN  22   1.796   0.800  11.712
  190    HA   ASN  22           HA       ASN  22   1.136   3.716  11.696
  191   1HB   ASN  22          2HB       ASN  22   3.373   4.222  12.114
  192   2HB   ASN  22          3HB       ASN  22   2.884   2.969  13.266
  193   1HD2  ASN  22          2HD2      ASN  22   5.367   1.979  10.141
  194   2HD2  ASN  22          1HD2      ASN  22   4.630   3.567  10.179
  195    QB   ASN  22           QB       ASN  22   3.128   3.595  12.690
  196    QD2  ASN  22           QD2      ASN  22   4.999   2.773  10.160
  197    H    SER  23           HN       SER  23   1.984   0.969   9.604
  198    HA   SER  23           HA       SER  23   3.147   2.839   7.602
  199   1HB   SER  23          2HB       SER  23   3.367  -0.188   7.564
  200   2HB   SER  23          3HB       SER  23   4.423   1.057   6.909
  201    HG   SER  23           HG       SER  23   4.000   0.285   9.641
  202    QB   SER  23           QB       SER  23   3.895   0.435   7.236
  203    H    CYS  24           HN       CYS  24   2.892   2.369   5.361
  204    HA   CYS  24           HA       CYS  24   0.302   1.116   4.607
  205   1HB   CYS  24          2HB       CYS  24   1.210   3.798   3.504
  206   2HB   CYS  24          3HB       CYS  24  -0.292   2.914   3.245
  207    QB   CYS  24           QB       CYS  24   0.459   3.356   3.375
  208    OH   TYR  25           OH       TYR  25  -1.812  -5.193  -0.288
  209    H    TYR  25           HN       TYR  25   0.458   0.072   2.626
  210    HA   TYR  25           HA       TYR  25   3.064   0.253   1.219
  211   1HB   TYR  25          2HB       TYR  25   3.227  -1.971   0.920
  212   2HB   TYR  25          3HB       TYR  25   2.569  -1.916   2.528
  213    HD1  TYR  25           HD1      TYR  25   0.164  -2.624   2.908
  214    HD2  TYR  25           HD2      TYR  25   2.017  -2.828  -0.982
  215    HE1  TYR  25           HE1      TYR  25  -1.532  -4.282   2.168
  216    HE2  TYR  25           HE2      TYR  25   0.104  -4.167  -1.799
  217    HH   TYR  25           HH       TYR  25  -2.052  -5.089  -1.227
  218    QB   TYR  25           QB       TYR  25   2.898  -1.943   1.724
  219    QR   TYR  25           QR       TYR  25   0.188  -3.475   0.574
  220    H    LYS  26           HN       LYS  26   3.086  -0.217  -0.990
  221    HA   LYS  26           HA       LYS  26   0.642   0.333  -2.577
  222   1HB   LYS  26          2HB       LYS  26   2.047   2.413  -2.254
  223   2HB   LYS  26          3HB       LYS  26   3.423   1.527  -2.912
  224   1HG   LYS  26          2HG       LYS  26   2.155   1.261  -5.074
  225   2HG   LYS  26          3HG       LYS  26   0.825   2.209  -4.371
  226   1HD   LYS  26          2HD       LYS  26   2.324   4.103  -4.010
  227   2HD   LYS  26          3HD       LYS  26   3.727   3.172  -4.574
  228   1HE   LYS  26          2HE       LYS  26   2.838   3.054  -6.847
  229   2HE   LYS  26          3HE       LYS  26   1.320   3.814  -6.325
  230   1HZ   LYS  26          3HZ       LYS  26   3.947   5.159  -6.225
  231   2HZ   LYS  26          1HZ       LYS  26   2.740   5.451  -7.318
  232   3HZ   LYS  26          2HZ       LYS  26   2.510   5.758  -5.732
  233    QB   LYS  26           QB       LYS  26   2.735   1.970  -2.583
  234    QG   LYS  26           QG       LYS  26   1.490   1.735  -4.723
  235    QD   LYS  26           QD       LYS  26   3.026   3.638  -4.292
  236    QE   LYS  26           QE       LYS  26   2.079   3.434  -6.586
  237    QZ   LYS  26           QZ       LYS  26   3.066   5.456  -6.425
  238    H    LYS  27           HN       LYS  27   0.650  -0.902  -4.522
  239    HA   LYS  27           HA       LYS  27   2.965  -2.649  -5.118
  240   1HB   LYS  27          2HB       LYS  27   1.818  -3.864  -3.456
  241   2HB   LYS  27          3HB       LYS  27   0.256  -3.331  -4.081
  242   1HG   LYS  27          2HG       LYS  27   0.746  -4.892  -6.125
  243   2HG   LYS  27          3HG       LYS  27   2.039  -5.579  -5.109
  244   1HD   LYS  27          2HD       LYS  27   0.379  -5.862  -3.272
  245   2HD   LYS  27          3HD       LYS  27  -0.830  -5.097  -4.293
  246   1HE   LYS  27          2HE       LYS  27  -0.900  -7.010  -5.807
  247   2HE   LYS  27          3HE       LYS  27   0.261  -7.857  -4.786
  248   1HZ   LYS  27          1HZ       LYS  27  -2.229  -6.743  -3.619
  249   2HZ   LYS  27          2HZ       LYS  27  -2.232  -8.222  -4.307
  250   3HZ   LYS  27          3HZ       LYS  27  -1.255  -7.880  -3.022
  251    QB   LYS  27           QB       LYS  27   1.037  -3.597  -3.768
  252    QG   LYS  27           QG       LYS  27   1.392  -5.236  -5.617
  253    QD   LYS  27           QD       LYS  27  -0.226  -5.480  -3.783
  254    QE   LYS  27           QE       LYS  27  -0.320  -7.433  -5.296
  255    QZ   LYS  27           QZ       LYS  27  -1.905  -7.615  -3.649
  256    OH   TYR  28           OH       TYR  28   7.551   0.230  -6.730
  257    H    TYR  28           HN       TYR  28   3.088  -3.158  -7.295
  258    HA   TYR  28           HA       TYR  28   0.888  -2.352  -9.096
  259   1HB   TYR  28          2HB       TYR  28   2.689  -0.968 -10.285
  260   2HB   TYR  28          3HB       TYR  28   1.873  -0.297  -8.877
  261    HD1  TYR  28           HD1      TYR  28   3.026  -0.107  -6.695
  262    HD2  TYR  28           HD2      TYR  28   5.114  -1.237 -10.289
  263    HE1  TYR  28           HE1      TYR  28   5.189   0.407  -5.596
  264    HE2  TYR  28           HE2      TYR  28   7.265  -0.651  -9.220
  265    HH   TYR  28           HH       TYR  28   8.313   0.088  -7.298
  266    QB   TYR  28           QB       TYR  28   2.281  -0.633  -9.581
  267    QR   TYR  28           QR       TYR  28   5.149  -0.397  -7.950
  268    CH2  TRP  29           CH2      TRP  29  -2.638  -6.129  -8.233
  269    H    TRP  29           HN       TRP  29   0.796  -3.583 -10.893
  270    HA   TRP  29           HA       TRP  29   3.240  -4.773 -11.985
  271   1HB   TRP  29          2HB       TRP  29   2.341  -6.983 -12.072
  272   2HB   TRP  29          3HB       TRP  29   2.442  -6.468 -10.401
  273    HD1  TRP  29           HD1      TRP  29   0.149  -7.970 -12.862
  274    HE1  TRP  29           HE1      TRP  29  -2.165  -8.336 -11.881
  275    HE3  TRP  29           HE3      TRP  29   0.556  -5.028  -8.665
  276    HZ2  TRP  29           HZ2      TRP  29  -3.656  -7.525  -9.532
  277    HZ3  TRP  29           HZ3      TRP  29  -1.384  -4.728  -7.185
  278    HH2  TRP  29           HH2      TRP  29  -3.477  -6.008  -7.562
  279    QB   TRP  29           QB       TRP  29   2.391  -6.725 -11.236
  280    NH1  ARG  30           NH2      ARG  30   7.208  -5.387 -17.250
  281    NH2  ARG  30           NH1      ARG  30   7.140  -7.568 -18.030
  282    H    ARG  30           HN       ARG  30   2.817  -5.646 -14.167
  283    HA   ARG  30           HA       ARG  30   1.308  -3.783 -15.702
  284   1HB   ARG  30          2HB       ARG  30   2.478  -6.422 -16.647
  285   2HB   ARG  30          3HB       ARG  30   2.140  -4.959 -17.557
  286   1HG   ARG  30          2HG       ARG  30   4.336  -4.498 -17.310
  287   2HG   ARG  30          3HG       ARG  30   3.849  -3.910 -15.725
  288   1HD   ARG  30          2HD       ARG  30   5.622  -5.322 -15.131
  289   2HD   ARG  30          3HD       ARG  30   4.301  -6.450 -14.971
  290    HE   ARG  30           HE       ARG  30   4.953  -7.652 -16.780
  291   1HH1  ARG  30          2HH2      ARG  30   6.761  -4.632 -16.751
  292   2HH1  ARG  30          1HH2      ARG  30   8.092  -5.212 -17.704
  293   1HH2  ARG  30          2HH1      ARG  30   6.696  -8.474 -18.080
  294   2HH2  ARG  30          1HH1      ARG  30   8.016  -7.443 -18.516
  295    QB   ARG  30           QB       ARG  30   2.309  -5.690 -17.102
  296    QG   ARG  30           QG       ARG  30   4.092  -4.204 -16.518
  297    QD   ARG  30           QD       ARG  30   4.962  -5.886 -15.051
  298    QH1  ARG  30           QH2      ARG  30   7.427  -4.922 -17.228
  299    QH2  ARG  30           QH1      ARG  30   7.356  -7.958 -18.298
  300    H    ASP  31           HN       ASP  31  -0.644  -4.082 -16.811
  301    HA   ASP  31           HA       ASP  31  -2.256  -6.502 -16.156
  302   1HB   ASP  31          2HB       ASP  31  -4.098  -5.276 -16.254
  303   2HB   ASP  31          3HB       ASP  31  -3.027  -3.870 -16.095
  304    QB   ASP  31           QB       ASP  31  -3.562  -4.573 -16.175
  305    H    HIS  32           HN       HIS  32  -1.693  -4.430 -18.957
  306    HA   HIS  32           HA       HIS  32  -0.984  -6.456 -20.917
  307   1HB   HIS  32          2HB       HIS  32  -3.308  -7.176 -20.440
  308   2HB   HIS  32          3HB       HIS  32  -3.879  -5.524 -20.617
  309    HD1  HIS  32           HD1      HIS  32  -1.715  -5.737 -23.469
  310    HD2  HIS  32           HD2      HIS  32  -5.480  -7.289 -22.335
  311    HE1  HIS  32           HE1      HIS  32  -2.958  -6.322 -25.648
  312    HE2  HIS  32           HE2      HIS  32  -5.247  -7.265 -24.945
  313    QB   HIS  32           QB       HIS  32  -3.594  -6.350 -20.529
  314    NH1  ARG  33           NH2      ARG  33  -1.581   2.406 -22.159
  315    NH2  ARG  33           NH1      ARG  33  -2.828   4.031 -23.233
  316    H    ARG  33           HN       ARG  33  -2.752  -3.425 -20.246
  317    HA   ARG  33           HA       ARG  33  -1.562  -2.054 -22.615
  318   1HB   ARG  33          2HB       ARG  33  -3.927  -2.281 -22.875
  319   2HB   ARG  33          3HB       ARG  33  -4.224  -1.978 -21.161
  320   1HG   ARG  33          2HG       ARG  33  -4.943  -0.107 -22.439
  321   2HG   ARG  33          3HG       ARG  33  -3.624   0.353 -21.371
  322   1HD   ARG  33          2HD       ARG  33  -2.054   0.093 -23.452
  323   2HD   ARG  33          3HD       ARG  33  -3.521  -0.142 -24.384
  324    HE   ARG  33           HE       ARG  33  -4.028   2.084 -24.254
  325   1HH1  ARG  33          2HH2      ARG  33  -1.399   1.427 -21.933
  326   2HH1  ARG  33          1HH2      ARG  33  -1.008   3.098 -21.706
  327   1HH2  ARG  33          2HH1      ARG  33  -3.571   4.303 -23.860
  328   2HH2  ARG  33          1HH1      ARG  33  -2.300   4.762 -22.779
  329    QB   ARG  33           QB       ARG  33  -4.076  -2.129 -22.018
  330    QG   ARG  33           QG       ARG  33  -4.283   0.123 -21.905
  331    QD   ARG  33           QD       ARG  33  -2.788  -0.025 -23.918
  332    QH1  ARG  33           QH2      ARG  33  -1.203   2.262 -21.820
  333    QH2  ARG  33           QH1      ARG  33  -2.936   4.532 -23.319
  334    H    GLY  34           HN       GLY  34  -2.204  -2.038 -19.129
  335   1HA   GLY  34          1HA       GLY  34  -0.384   0.264 -18.632
  336   2HA   GLY  34          2HA       GLY  34  -2.063   0.281 -18.069
  337    QA   GLY  34           QA       GLY  34  -1.223   0.272 -18.351
  338    H    THR  35           HN       THR  35  -1.364   0.270 -15.979
  339    HA   THR  35           HA       THR  35  -0.035  -2.171 -14.879
  340    HB   THR  35           HB       THR  35  -0.267   0.580 -13.660
  341    HG1  THR  35          1HG       THR  35   0.956   0.563 -15.641
  342   1HG2  THR  35          2HG2      THR  35   0.303  -1.242 -12.055
  343   2HG2  THR  35          3HG2      THR  35   1.672  -1.702 -13.096
  344   3HG2  THR  35          1HG2      THR  35   1.662  -0.123 -12.307
  345    QG2  THR  35           QG2      THR  35   1.212  -1.022 -12.486
  346    H    ILE  36           HN       ILE  36  -1.259  -3.388 -13.413
  347    HA   ILE  36           HA       ILE  36  -3.814  -2.328 -12.351
  348    HB   ILE  36           HB       ILE  36  -2.470  -4.993 -11.830
  349   1HG1  ILE  36          2HG1      ILE  36  -4.980  -4.346 -13.451
  350   2HG1  ILE  36          3HG1      ILE  36  -3.380  -4.699 -14.122
  351   1HG2  ILE  36          2HG2      ILE  36  -5.183  -3.825 -11.003
  352   2HG2  ILE  36          3HG2      ILE  36  -4.666  -5.483 -10.680
  353   3HG2  ILE  36          1HG2      ILE  36  -3.828  -4.145  -9.908
  354   1HD1  ILE  36          1HD1      ILE  36  -3.379  -6.935 -13.185
  355   2HD1  ILE  36          2HD1      ILE  36  -4.992  -6.677 -12.480
  356   3HD1  ILE  36          3HD1      ILE  36  -4.780  -6.679 -14.231
  357    QG1  ILE  36           QG1      ILE  36  -4.180  -4.522 -13.787
  358    QG2  ILE  36           QG2      ILE  36  -4.559  -4.484 -10.530
  359    QD1  ILE  36           QD1      ILE  36  -4.383  -6.764 -13.299
  360    H    ILE  37           HN       ILE  37  -3.605  -0.955 -10.721
  361    HA   ILE  37           HA       ILE  37  -1.191  -0.901  -9.012
  362    HB   ILE  37           HB       ILE  37  -3.431   1.084  -9.642
  363   1HG1  ILE  37          2HG1      ILE  37  -1.809   0.635 -11.558
  364   2HG1  ILE  37          3HG1      ILE  37  -1.963   2.299 -11.026
  365   1HG2  ILE  37          2HG2      ILE  37  -0.986   1.345  -7.866
  366   2HG2  ILE  37          3HG2      ILE  37  -1.872   2.740  -8.522
  367   3HG2  ILE  37          1HG2      ILE  37  -2.697   1.581  -7.461
  368   1HD1  ILE  37          3HD1      ILE  37   0.263   0.398 -10.227
  369   2HD1  ILE  37          1HD1      ILE  37   0.386   1.678 -11.448
  370   3HD1  ILE  37          2HD1      ILE  37   0.154   2.111  -9.753
  371    QG1  ILE  37           QG1      ILE  37  -1.886   1.467 -11.292
  372    QG2  ILE  37           QG2      ILE  37  -1.852   1.889  -7.950
  373    QD1  ILE  37           QD1      ILE  37   0.268   1.396 -10.476
  374    H    GLU  38           HN       GLU  38  -1.423  -1.006  -6.745
  375    HA   GLU  38           HA       GLU  38  -4.070  -1.251  -5.510
  376   1HB   GLU  38          2HB       GLU  38  -3.415  -3.506  -6.362
  377   2HB   GLU  38          3HB       GLU  38  -1.948  -3.421  -5.386
  378   1HG   GLU  38          2HG       GLU  38  -4.547  -3.112  -3.890
  379   2HG   GLU  38          3HG       GLU  38  -4.277  -4.659  -4.680
  380    QB   GLU  38           QB       GLU  38  -2.682  -3.463  -5.874
  381    QG   GLU  38           QG       GLU  38  -4.412  -3.885  -4.285
  382    NH1  ARG  39           NH2      ARG  39  -2.859   3.848  -6.140
  383    NH2  ARG  39           NH1      ARG  39  -1.506   5.579  -5.582
  384    H    ARG  39           HN       ARG  39  -3.821  -1.262  -3.106
  385    HA   ARG  39           HA       ARG  39  -1.281  -0.508  -1.956
  386   1HB   ARG  39          2HB       ARG  39  -3.804   1.198  -1.883
  387   2HB   ARG  39          3HB       ARG  39  -2.625   1.186  -0.586
  388   1HG   ARG  39          2HG       ARG  39  -1.830   2.990  -1.531
  389   2HG   ARG  39          3HG       ARG  39  -0.992   1.885  -2.636
  390   1HD   ARG  39          2HD       ARG  39  -2.927   2.109  -4.151
  391   2HD   ARG  39          3HD       ARG  39  -3.752   3.177  -3.040
  392    HE   ARG  39           HE       ARG  39  -1.433   4.488  -3.282
  393   1HH1  ARG  39          2HH2      ARG  39  -3.510   3.125  -5.834
  394   2HH1  ARG  39          1HH2      ARG  39  -2.864   4.150  -7.102
  395   1HH2  ARG  39          2HH1      ARG  39  -1.411   6.272  -4.865
  396   2HH2  ARG  39          1HH1      ARG  39  -0.566   5.523  -5.992
  397    QB   ARG  39           QB       ARG  39  -3.214   1.192  -1.235
  398    QG   ARG  39           QG       ARG  39  -1.411   2.437  -2.083
  399    QD   ARG  39           QD       ARG  39  -3.340   2.643  -3.596
  400    QH1  ARG  39           QH2      ARG  39  -3.187   3.638  -6.468
  401    QH2  ARG  39           QH1      ARG  39  -0.989   5.898  -5.428
  402    H    GLY  40           HN       GLY  40  -1.441  -0.698   0.420
  403   1HA   GLY  40          1HA       GLY  40  -4.012  -1.105   1.571
  404   2HA   GLY  40          2HA       GLY  40  -3.120  -2.627   1.623
  405    QA   GLY  40           QA       GLY  40  -3.566  -1.866   1.597
  406    H    CYS  41           HN       CYS  41  -3.396  -2.158   3.986
  407    HA   CYS  41           HA       CYS  41  -1.704  -0.014   5.142
  408   1HB   CYS  41          2HB       CYS  41  -3.672   0.159   6.057
  409   2HB   CYS  41          3HB       CYS  41  -4.094  -1.579   6.014
  410    QB   CYS  41           QB       CYS  41  -3.883  -0.710   6.036
  411    H    GLY  42           HN       GLY  42  -0.489  -0.441   6.938
  412   1HA   GLY  42          1HA       GLY  42   1.354  -1.479   7.964
  413   2HA   GLY  42          2HA       GLY  42   0.645  -3.059   7.566
  414    QA   GLY  42           QA       GLY  42   1.000  -2.269   7.765
  415    H    CYS  43           HN       CYS  43   2.834  -3.835   6.959
  416    HA   CYS  43           HA       CYS  43   3.636  -3.091   4.194
  417   1HB   CYS  43          2HB       CYS  43   5.440  -3.528   6.598
  418   2HB   CYS  43          3HB       CYS  43   5.913  -3.365   4.899
  419    QB   CYS  43           QB       CYS  43   5.677  -3.446   5.749
  420    HA   PRO  44           HA       PRO  44   3.281  -7.745   4.809
  421   1HB   PRO  44          2HB       PRO  44   1.461  -8.329   2.856
  422   2HB   PRO  44          3HB       PRO  44   0.960  -7.752   4.472
  423   1HG   PRO  44          2HG       PRO  44   1.328  -6.107   1.950
  424   2HG   PRO  44          3HG       PRO  44  -0.086  -6.137   3.049
  425   1HD   PRO  44          2HD       PRO  44   1.922  -4.255   3.237
  426   2HD   PRO  44          3HD       PRO  44   1.058  -4.859   4.684
  427    QB   PRO  44           QB       PRO  44   1.211  -8.040   3.664
  428    QG   PRO  44           QG       PRO  44   0.621  -6.122   2.499
  429    QD   PRO  44           QD       PRO  44   1.490  -4.557   3.961
  430    H    LYS  45           HN       LYS  45   3.638  -9.379   2.923
  431    HA   LYS  45           HA       LYS  45   5.679  -8.267   1.060
  432   1HB   LYS  45          2HB       LYS  45   6.458  -9.910   2.601
  433   2HB   LYS  45          3HB       LYS  45   5.184 -11.062   2.133
  434   1HG   LYS  45          2HG       LYS  45   6.267 -11.316  -0.076
  435   2HG   LYS  45          3HG       LYS  45   7.418 -10.021   0.324
  436   1HD   LYS  45          2HD       LYS  45   8.494 -12.147   0.533
  437   2HD   LYS  45          3HD       LYS  45   8.342 -11.427   2.144
  438   1HE   LYS  45          2HE       LYS  45   6.393 -12.898   2.635
  439   2HE   LYS  45          3HE       LYS  45   6.437 -13.534   0.979
  440   1HZ   LYS  45          2HZ       LYS  45   8.592 -14.474   1.480
  441   2HZ   LYS  45          3HZ       LYS  45   8.542 -13.876   3.014
  442   3HZ   LYS  45          1HZ       LYS  45   7.459 -15.015   2.539
  443    QB   LYS  45           QB       LYS  45   5.821 -10.486   2.367
  444    QG   LYS  45           QG       LYS  45   6.843 -10.669   0.124
  445    QD   LYS  45           QD       LYS  45   8.418 -11.787   1.339
  446    QE   LYS  45           QE       LYS  45   6.415 -13.216   1.807
  447    QZ   LYS  45           QZ       LYS  45   8.198 -14.455   2.345
  448    H    VAL  46           HN       VAL  46   5.791  -9.288  -1.017
  449    HA   VAL  46           HA       VAL  46   3.151  -9.991  -2.238
  450    HB   VAL  46           HB       VAL  46   3.836  -8.721  -4.234
  451   1HG1  VAL  46          2HG1      VAL  46   2.423  -7.650  -2.511
  452   2HG1  VAL  46          3HG1      VAL  46   3.869  -7.030  -1.696
  453   3HG1  VAL  46          1HG1      VAL  46   3.469  -6.474  -3.331
  454   1HG2  VAL  46          3HG2      VAL  46   6.323  -8.834  -3.906
  455   2HG2  VAL  46          1HG2      VAL  46   5.730  -7.209  -4.226
  456   3HG2  VAL  46          2HG2      VAL  46   6.171  -7.676  -2.570
  457    QG1  VAL  46           QG1      VAL  46   3.253  -7.051  -2.513
  458    QG2  VAL  46           QG2      VAL  46   6.075  -7.907  -3.567
  459    QQG  VAL  46           QQG      VAL  46   4.664  -7.479  -3.040
  460    H    LYS  47           HN       LYS  47   3.517 -10.953  -4.469
  461    HA   LYS  47           HA       LYS  47   5.482 -13.165  -4.339
  462   1HB   LYS  47          2HB       LYS  47   3.758 -12.675  -6.733
  463   2HB   LYS  47          3HB       LYS  47   4.226 -14.196  -5.979
  464   1HG   LYS  47          2HG       LYS  47   2.116 -14.359  -5.282
  465   2HG   LYS  47          3HG       LYS  47   2.608 -13.263  -4.021
  466   1HD   LYS  47          2HD       LYS  47   0.714 -12.198  -4.821
  467   2HD   LYS  47          3HD       LYS  47   1.929 -11.362  -5.791
  468   1HE   LYS  47          2HE       LYS  47   0.149 -13.714  -6.638
  469   2HE   LYS  47          3HE       LYS  47  -0.017 -12.032  -7.148
  470   1HZ   LYS  47          3HZ       LYS  47   2.140 -12.238  -8.249
  471   2HZ   LYS  47          1HZ       LYS  47   2.220 -13.820  -7.813
  472   3HZ   LYS  47          2HZ       LYS  47   1.042 -13.313  -8.838
  473    QB   LYS  47           QB       LYS  47   3.992 -13.436  -6.356
  474    QG   LYS  47           QG       LYS  47   2.362 -13.811  -4.651
  475    QD   LYS  47           QD       LYS  47   1.322 -11.780  -5.306
  476    QE   LYS  47           QE       LYS  47   0.066 -12.873  -6.893
  477    QZ   LYS  47           QZ       LYS  47   1.801 -13.124  -8.300
  478    HA   PRO  48           HA       PRO  48   8.272 -10.962  -7.022
  479   1HB   PRO  48          2HB       PRO  48   9.274 -12.827  -8.765
  480   2HB   PRO  48          3HB       PRO  48   9.662 -12.813  -7.022
  481   1HG   PRO  48          2HG       PRO  48   7.569 -14.471  -8.436
  482   2HG   PRO  48          3HG       PRO  48   8.791 -15.030  -7.257
  483   1HD   PRO  48          2HD       PRO  48   6.232 -14.474  -6.573
  484   2HD   PRO  48          3HD       PRO  48   7.543 -14.098  -5.428
  485    QB   PRO  48           QB       PRO  48   9.468 -12.820  -7.893
  486    QG   PRO  48           QG       PRO  48   8.180 -14.750  -7.846
  487    QD   PRO  48           QD       PRO  48   6.887 -14.286  -6.001
  488    H    GLY  49           HN       GLY  49   8.647 -10.364  -9.380
  489   1HA   GLY  49          1HA       GLY  49   7.872  -9.534 -11.341
  490   2HA   GLY  49          2HA       GLY  49   6.690 -10.846 -11.354
  491    QA   GLY  49           QA       GLY  49   7.281 -10.190 -11.348
  492    H    VAL  50           HN       VAL  50   6.656  -8.750  -8.564
  493    HA   VAL  50           HA       VAL  50   4.573  -6.940  -9.647
  494    HB   VAL  50           HB       VAL  50   4.421  -8.596  -7.079
  495   1HG1  VAL  50          2HG1      VAL  50   2.564  -6.436  -8.151
  496   2HG1  VAL  50          3HG1      VAL  50   2.181  -7.527  -6.805
  497   3HG1  VAL  50          1HG1      VAL  50   3.528  -6.388  -6.666
  498   1HG2  VAL  50          2HG2      VAL  50   2.702  -8.696  -9.592
  499   2HG2  VAL  50          3HG2      VAL  50   3.783  -9.970  -8.995
  500   3HG2  VAL  50          1HG2      VAL  50   2.341  -9.536  -8.072
  501    QG1  VAL  50           QG1      VAL  50   2.758  -6.784  -7.207
  502    QG2  VAL  50           QG2      VAL  50   2.942  -9.401  -8.886
  503    QQG  VAL  50           QQG      VAL  50   2.850  -8.092  -8.047
  504    H    GLY  51           HN       GLY  51   5.308  -4.841  -9.169
  505   1HA   GLY  51          1HA       GLY  51   7.551  -4.566  -7.438
  506   2HA   GLY  51          2HA       GLY  51   6.758  -3.225  -8.217
  507    QA   GLY  51           QA       GLY  51   7.154  -3.895  -7.828
  508    H    ILE  52           HN       ILE  52   7.491  -3.016  -5.686
  509    HA   ILE  52           HA       ILE  52   5.015  -2.673  -4.197
  510    HB   ILE  52           HB       ILE  52   5.549  -4.991  -3.746
  511   1HG1  ILE  52          2HG1      ILE  52   4.627  -3.372  -1.938
  512   2HG1  ILE  52          3HG1      ILE  52   5.041  -5.036  -1.565
  513   1HG2  ILE  52          1HG2      ILE  52   7.947  -5.049  -4.103
  514   2HG2  ILE  52          2HG2      ILE  52   8.236  -4.058  -2.663
  515   3HG2  ILE  52          3HG2      ILE  52   7.566  -5.689  -2.503
  516   1HD1  ILE  52          1HD1      ILE  52   6.924  -2.741  -0.915
  517   2HD1  ILE  52          2HD1      ILE  52   5.727  -3.433   0.187
  518   3HD1  ILE  52          3HD1      ILE  52   7.045  -4.439  -0.425
  519    QG1  ILE  52           QG1      ILE  52   4.834  -4.204  -1.751
  520    QG2  ILE  52           QG2      ILE  52   7.917  -4.932  -3.090
  521    QD1  ILE  52           QD1      ILE  52   6.565  -3.538  -0.384
  522    H    HIS  53           HN       HIS  53   5.198  -1.180  -2.488
  523    HA   HIS  53           HA       HIS  53   7.861  -0.316  -1.612
  524   1HB   HIS  53          2HB       HIS  53   7.253   1.159  -3.578
  525   2HB   HIS  53          3HB       HIS  53   5.808   1.666  -2.706
  526    HD1  HIS  53           HD1      HIS  53   9.646   1.986  -2.534
  527    HD2  HIS  53           HD2      HIS  53   6.131   3.422  -0.683
  528    HE1  HIS  53           HE1      HIS  53  10.373   3.847  -0.909
  529    HE2  HIS  53           HE2      HIS  53   8.226   4.689   0.221
  530    QB   HIS  53           QB       HIS  53   6.531   1.412  -3.142
  531    H    CYS  54           HN       CYS  54   7.691   0.549   0.589
  532    HA   CYS  54           HA       CYS  54   4.978   0.927   1.652
  533   1HB   CYS  54          2HB       CYS  54   5.890  -1.364   2.425
  534   2HB   CYS  54          3HB       CYS  54   7.083  -0.398   3.364
  535    QB   CYS  54           QB       CYS  54   6.486  -0.881   2.895
  536    H    CYS  55           HN       CYS  55   5.017   2.237   3.655
  537    HA   CYS  55           HA       CYS  55   7.331   3.850   4.264
  538   1HB   CYS  55          2HB       CYS  55   6.171   5.981   3.551
  539   2HB   CYS  55          3HB       CYS  55   6.863   4.988   2.285
  540    QB   CYS  55           QB       CYS  55   6.517   5.484   2.918
  541    H    GLN  56           HN       GLN  56   6.688   5.520   5.867
  542    HA   GLN  56           HA       GLN  56   4.768   4.212   7.757
  543   1HB   GLN  56          2HB       GLN  56   7.444   5.537   8.274
  544   2HB   GLN  56          3HB       GLN  56   6.339   4.936   9.514
  545   1HG   GLN  56          2HG       GLN  56   7.899   3.215   9.269
  546   2HG   GLN  56          3HG       GLN  56   6.444   2.644   8.448
  547   1HE2  GLN  56          2HE2      GLN  56   9.738   3.645   6.158
  548   2HE2  GLN  56          1HE2      GLN  56   9.465   4.491   7.671
  549    QB   GLN  56           QB       GLN  56   6.891   5.237   8.894
  550    QG   GLN  56           QG       GLN  56   7.172   2.930   8.858
  551    QE2  GLN  56           QE2      GLN  56   9.601   4.068   6.914
  552    H    SER  57           HN       SER  57   3.638   6.291   6.160
  553    HA   SER  57           HA       SER  57   2.905   8.136   8.329
  554   1HB   SER  57          2HB       SER  57   4.232   9.088   5.776
  555   2HB   SER  57          3HB       SER  57   3.230  10.137   6.791
  556    HG   SER  57           HG       SER  57   5.208   8.616   8.073
  557    QB   SER  57           QB       SER  57   3.731   9.613   6.283
  558    H    ASP  58           HN       ASP  58   1.009   9.378   7.897
  559    HA   ASP  58           HA       ASP  58  -0.963   7.620   6.892
  560   1HB   ASP  58          2HB       ASP  58  -2.227   8.842   8.217
  561   2HB   ASP  58          3HB       ASP  58  -0.952  10.056   8.410
  562    QB   ASP  58           QB       ASP  58  -1.590   9.449   8.314
  563    H    LYS  59           HN       LYS  59  -2.107   7.608   5.051
  564    HA   LYS  59           HA       LYS  59  -2.284   7.555   2.742
  565   1HB   LYS  59          2HB       LYS  59  -1.878  10.557   3.073
  566   2HB   LYS  59          3HB       LYS  59  -2.615   9.743   1.684
  567   1HG   LYS  59          2HG       LYS  59  -4.444   8.926   3.063
  568   2HG   LYS  59          3HG       LYS  59  -3.774   9.699   4.490
  569   1HD   LYS  59          2HD       LYS  59  -3.887  11.655   2.317
  570   2HD   LYS  59          3HD       LYS  59  -5.431  10.845   2.402
  571   1HE   LYS  59          2HE       LYS  59  -5.365  12.938   3.699
  572   2HE   LYS  59          3HE       LYS  59  -5.778  11.541   4.705
  573   1HZ   LYS  59          3HZ       LYS  59  -2.981  12.500   4.607
  574   2HZ   LYS  59          1HZ       LYS  59  -4.084  13.158   5.624
  575   3HZ   LYS  59          2HZ       LYS  59  -3.724  11.586   5.705
  576    QB   LYS  59           QB       LYS  59  -2.246  10.150   2.378
  577    QG   LYS  59           QG       LYS  59  -4.109   9.313   3.776
  578    QD   LYS  59           QD       LYS  59  -4.659  11.250   2.359
  579    QE   LYS  59           QE       LYS  59  -5.571  12.240   4.202
  580    QZ   LYS  59           QZ       LYS  59  -3.596  12.415   5.312
  581    H    CYS  60           HN       CYS  60   0.703   7.551   3.829
  582    HA   CYS  60           HA       CYS  60   2.199   9.050   1.968
  583   1HB   CYS  60          2HB       CYS  60   4.107   7.848   2.766
  584   2HB   CYS  60          3HB       CYS  60   3.004   8.145   4.101
  585    QB   CYS  60           QB       CYS  60   3.555   7.996   3.434
  586    H    ASN  61           HN       ASN  61   0.685   5.923   1.614
  587    HA   ASN  61           HA       ASN  61   2.352   4.997  -0.569
  588   1HB   ASN  61          2HB       ASN  61   0.809   3.076  -0.562
  589   2HB   ASN  61          3HB       ASN  61   1.536   3.398   1.014
  590   1HD2  ASN  61          2HD2      ASN  61  -2.249   2.663   1.144
  591   2HD2  ASN  61          1HD2      ASN  61  -0.835   1.832   0.520
  592    QB   ASN  61           QB       ASN  61   1.172   3.237   0.226
  593    QD2  ASN  61           QD2      ASN  61  -1.542   2.248   0.832
  594    OH   TYR  62           OH       TYR  62  -1.811  11.366  -7.938
  595    H    TYR  62           HN       TYR  62   1.710   7.284  -1.566
  596    HA   TYR  62           HA       TYR  62  -0.599   6.887  -3.390
  597   1HB   TYR  62          2HB       TYR  62  -0.385   9.099  -2.441
  598   2HB   TYR  62          3HB       TYR  62   1.190   9.262  -3.179
  599    HD1  TYR  62           HD1      TYR  62   1.515   9.254  -5.662
  600    HD2  TYR  62           HD2      TYR  62  -2.312   9.745  -3.732
  601    HE1  TYR  62           HE1      TYR  62   0.662  10.431  -7.653
  602    HE2  TYR  62           HE2      TYR  62  -3.185  10.855  -5.770
  603    HH   TYR  62           HH       TYR  62  -1.145  11.532  -8.609
  604    QB   TYR  62           QB       TYR  62   0.403   9.181  -2.810
  605    QR   TYR  62           QR       TYR  62  -0.830  10.071  -5.705
   
  Start of MODEL          20
 Raw file had 605 H/Q atoms
  Start of MODEL   20
    1    NH1  ARG   1           NH2      ARG   1   1.516   8.667  11.462
    2    NH2  ARG   1           NH1      ARG   1   3.325   7.323  10.983
    3    H    ARG   1           HN       ARG   1  -3.811   3.593  11.188
    4    HA   ARG   1           HA       ARG   1  -2.828   6.361  10.998
    5   1HB   ARG   1          2HB       ARG   1  -1.076   4.427  10.590
    6   2HB   ARG   1          3HB       ARG   1  -1.984   4.114   9.108
    7   1HG   ARG   1          2HG       ARG   1  -0.129   5.500   8.519
    8   2HG   ARG   1          3HG       ARG   1  -1.544   6.510   8.479
    9   1HD   ARG   1          2HD       ARG   1  -0.350   7.922   9.708
   10   2HD   ARG   1          3HD       ARG   1  -0.768   6.930  11.108
   11    HE   ARG   1           HE       ARG   1   1.533   5.756  10.036
   12   1HH1  ARG   1          2HH2      ARG   1   0.516   8.815  11.455
   13   2HH1  ARG   1          1HH2      ARG   1   2.111   9.377  11.862
   14   1HH2  ARG   1          2HH1      ARG   1   3.727   6.450  10.615
   15   2HH2  ARG   1          1HH1      ARG   1   3.982   8.019  11.297
   16    QB   ARG   1           QB       ARG   1  -1.530   4.270   9.849
   17    QG   ARG   1           QG       ARG   1  -0.837   6.005   8.499
   18    QD   ARG   1           QD       ARG   1  -0.559   7.426  10.408
   19    QH1  ARG   1           QH2      ARG   1   1.313   9.096  11.658
   20    QH2  ARG   1           QH1      ARG   1   3.855   7.234  10.956
   21    H    ILE   2           HN       ILE   2  -3.333   7.340   8.718
   22    HA   ILE   2           HA       ILE   2  -5.740   6.133   7.462
   23    HB   ILE   2           HB       ILE   2  -4.443   8.858   7.234
   24   1HG1  ILE   2          2HG1      ILE   2  -6.602   9.746   8.035
   25   2HG1  ILE   2          3HG1      ILE   2  -7.258   8.119   8.225
   26   1HG2  ILE   2          2HG2      ILE   2  -6.888   7.686   5.810
   27   2HG2  ILE   2          3HG2      ILE   2  -6.416   9.395   5.757
   28   3HG2  ILE   2          1HG2      ILE   2  -5.370   8.177   5.041
   29   1HD1  ILE   2          3HD1      ILE   2  -4.858   9.134   9.796
   30   2HD1  ILE   2          1HD1      ILE   2  -6.538   9.350  10.323
   31   3HD1  ILE   2          2HD1      ILE   2  -5.893   7.718  10.150
   32    QG1  ILE   2           QG1      ILE   2  -6.930   8.932   8.130
   33    QG2  ILE   2           QG2      ILE   2  -6.225   8.419   5.536
   34    QD1  ILE   2           QD1      ILE   2  -5.763   8.734  10.090
   35    H    CYS   3           HN       CYS   3  -5.539   5.424   5.300
   36    HA   CYS   3           HA       CYS   3  -2.923   5.844   3.946
   37   1HB   CYS   3          2HB       CYS   3  -4.370   3.180   4.119
   38   2HB   CYS   3          3HB       CYS   3  -2.995   3.550   3.076
   39    QB   CYS   3           QB       CYS   3  -3.683   3.365   3.597
   40    OH   TYR   4           OH       TYR   4  -3.708  11.864  -0.272
   41    H    TYR   4           HN       TYR   4  -3.194   5.688   1.538
   42    HA   TYR   4           HA       TYR   4  -6.020   6.014   0.703
   43   1HB   TYR   4          2HB       TYR   4  -3.727   5.787  -1.285
   44   2HB   TYR   4          3HB       TYR   4  -5.413   6.110  -1.442
   45    HD1  TYR   4           HD2      TYR   4  -6.371   8.297  -1.121
   46    HD2  TYR   4           HD1      TYR   4  -2.231   7.564  -0.178
   47    HE1  TYR   4           HE2      TYR   4  -5.998  10.722  -0.925
   48    HE2  TYR   4           HE1      TYR   4  -1.832  10.006  -0.118
   49    HH   TYR   4           HH       TYR   4  -4.409  12.389  -0.663
   50    QB   TYR   4           QB       TYR   4  -4.570   5.948  -1.363
   51    QR   TYR   4           QR       TYR   4  -4.108   9.147  -0.586
   52    H    ASN   5           HN       ASN   5  -7.123   4.248  -0.310
   53    HA   ASN   5           HA       ASN   5  -5.688   1.613  -0.340
   54   1HB   ASN   5          2HB       ASN   5  -7.736   0.554   0.226
   55   2HB   ASN   5          3HB       ASN   5  -7.389   1.782   1.452
   56   1HD2  ASN   5          2HD2      ASN   5 -11.001   1.868   0.001
   57   2HD2  ASN   5          1HD2      ASN   5  -9.972   0.473   0.281
   58    QB   ASN   5           QB       ASN   5  -7.562   1.168   0.839
   59    QD2  ASN   5           QD2      ASN   5 -10.486   1.171   0.141
   60    H    HIS   6           HN       HIS   6  -6.452   3.993  -2.345
   61    HA   HIS   6           HA       HIS   6  -8.284   2.826  -4.134
   62   1HB   HIS   6          2HB       HIS   6  -7.478   4.615  -5.728
   63   2HB   HIS   6          3HB       HIS   6  -8.200   5.042  -4.193
   64    HD1  HIS   6           HD1      HIS   6  -6.944   7.096  -3.072
   65    HD2  HIS   6           HD2      HIS   6  -4.539   4.688  -5.518
   66    HE1  HIS   6           HE1      HIS   6  -4.635   8.334  -3.424
   67    HE2  HIS   6           HE2      HIS   6  -3.212   6.772  -4.804
   68    QB   HIS   6           QB       HIS   6  -7.839   4.828  -4.961
   69    H    GLN   7           HN       GLN   7  -8.181   1.665  -5.922
   70    HA   GLN   7           HA       GLN   7  -5.648   0.294  -6.709
   71   1HB   GLN   7          2HB       GLN   7  -7.001  -1.118  -5.292
   72   2HB   GLN   7          3HB       GLN   7  -8.475  -0.704  -6.179
   73   1HG   GLN   7          2HG       GLN   7  -7.555  -1.971  -8.161
   74   2HG   GLN   7          3HG       GLN   7  -6.212  -2.499  -7.131
   75   1HE2  GLN   7          2HE2      GLN   7  -8.217  -4.753  -5.218
   76   2HE2  GLN   7          1HE2      GLN   7  -6.737  -3.815  -5.188
   77    QB   GLN   7           QB       GLN   7  -7.738  -0.911  -5.736
   78    QG   GLN   7           QG       GLN   7  -6.884  -2.235  -7.646
   79    QE2  GLN   7           QE2      GLN   7  -7.477  -4.284  -5.203
   80    H    SER   8           HN       SER   8  -5.797  -0.520  -8.970
   81    HA   SER   8           HA       SER   8  -6.551   1.501 -10.778
   82   1HB   SER   8          2HB       SER   8  -5.742  -1.376 -11.192
   83   2HB   SER   8          3HB       SER   8  -6.368  -0.435 -12.550
   84    HG   SER   8           HG       SER   8  -4.266   0.006 -12.652
   85    QB   SER   8           QB       SER   8  -6.055  -0.905 -11.871
   86    H    THR   9           HN       THR   9  -8.733   1.989 -10.449
   87    HA   THR   9           HA       THR   9 -10.723   0.248 -11.817
   88    HB   THR   9           HB       THR   9 -12.265   0.600  -9.860
   89    HG1  THR   9          1HG       THR   9  -9.853   1.337  -8.522
   90   1HG2  THR   9          3HG2      THR   9 -11.000  -1.573 -10.130
   91   2HG2  THR   9          1HG2      THR   9  -9.820  -0.965  -8.950
   92   3HG2  THR   9          2HG2      THR   9 -11.509  -1.179  -8.480
   93    QG2  THR   9           QG2      THR   9 -10.776  -1.239  -9.186
   94    H    THR  10           HN       THR  10 -10.219   3.195  -9.888
   95    HA   THR  10           HA       THR  10 -11.933   4.896 -11.566
   96    HB   THR  10           HB       THR  10 -13.644   4.975  -9.645
   97    HG1  THR  10          1HG       THR  10 -12.172   2.687  -8.837
   98   1HG2  THR  10          2HG2      THR  10 -14.088   3.743 -11.799
   99   2HG2  THR  10          3HG2      THR  10 -13.681   2.246 -10.931
  100   3HG2  THR  10          1HG2      THR  10 -15.015   3.248 -10.373
  101    QG2  THR  10           QG2      THR  10 -14.261   3.079 -11.034
  102    NH1  ARG  11           NH2      ARG  11 -13.883  10.109  -4.755
  103    NH2  ARG  11           NH1      ARG  11 -13.625  12.327  -4.134
  104    H    ARG  11           HN       ARG  11 -12.665   6.787  -9.998
  105    HA   ARG  11           HA       ARG  11 -10.590   8.414  -9.264
  106   1HB   ARG  11          2HB       ARG  11 -12.926   9.109  -9.554
  107   2HB   ARG  11          3HB       ARG  11 -13.398   8.170  -8.127
  108   1HG   ARG  11          2HG       ARG  11 -12.014   9.661  -6.696
  109   2HG   ARG  11          3HG       ARG  11 -11.571  10.618  -8.118
  110   1HD   ARG  11          2HD       ARG  11 -13.804  11.378  -8.434
  111   2HD   ARG  11          3HD       ARG  11 -14.502  10.147  -7.392
  112    HE   ARG  11           HE       ARG  11 -13.385  12.705  -6.615
  113   1HH1  ARG  11          2HH2      ARG  11 -13.848   9.404  -5.476
  114   2HH1  ARG  11          1HH2      ARG  11 -13.950   9.808  -3.795
  115   1HH2  ARG  11          2HH1      ARG  11 -13.468  13.295  -4.373
  116   2HH2  ARG  11          1HH1      ARG  11 -13.731  12.087  -3.159
  117    QB   ARG  11           QB       ARG  11 -13.162   8.640  -8.840
  118    QG   ARG  11           QG       ARG  11 -11.793  10.139  -7.407
  119    QD   ARG  11           QD       ARG  11 -14.153  10.763  -7.913
  120    QH1  ARG  11           QH2      ARG  11 -13.899   9.606  -4.635
  121    QH2  ARG  11           QH1      ARG  11 -13.600  12.691  -3.766
  122    H    ALA  12           HN       ALA  12  -9.452   8.888  -7.418
  123    HA   ALA  12           HA       ALA  12  -8.852   6.789  -5.640
  124   1HB   ALA  12          3HB       ALA  12  -8.134   9.727  -5.751
  125   2HB   ALA  12          1HB       ALA  12  -7.580   8.714  -4.424
  126   3HB   ALA  12          2HB       ALA  12  -7.121   8.307  -6.092
  127    QB   ALA  12           QB       ALA  12  -7.612   8.916  -5.422
  128    H    THR  13           HN       THR  13  -9.155   6.471  -3.483
  129    HA   THR  13           HA       THR  13 -11.043   8.033  -1.862
  130    HB   THR  13           HB       THR  13 -11.847   5.702  -1.102
  131    HG1  THR  13          1HG       THR  13 -11.461   4.054  -2.671
  132   1HG2  THR  13          3HG2      THR  13 -13.196   7.155  -2.638
  133   2HG2  THR  13          1HG2      THR  13 -12.421   6.363  -4.026
  134   3HG2  THR  13          2HG2      THR  13 -13.438   5.424  -2.921
  135    QG2  THR  13           QG2      THR  13 -13.018   6.314  -3.195
  136    H    THR  14           HN       THR  14 -10.793   7.010   0.488
  137    HA   THR  14           HA       THR  14  -8.048   6.229   1.162
  138    HB   THR  14           HB       THR  14  -8.314   7.846   3.173
  139    HG1  THR  14          1HG       THR  14 -10.138   9.072   1.374
  140   1HG2  THR  14          1HG2      THR  14  -7.923   9.100   0.436
  141   2HG2  THR  14          2HG2      THR  14  -7.447   9.806   1.995
  142   3HG2  THR  14          3HG2      THR  14  -6.677   8.307   1.447
  143    QG2  THR  14           QG2      THR  14  -7.349   9.071   1.293
  144    H    LYS  15           HN       LYS  15  -7.943   5.224   3.338
  145    HA   LYS  15           HA       LYS  15 -10.402   4.915   4.820
  146   1HB   LYS  15          2HB       LYS  15  -8.975   2.539   3.528
  147   2HB   LYS  15          3HB       LYS  15  -9.965   2.408   4.967
  148   1HG   LYS  15          2HG       LYS  15 -11.833   3.611   3.536
  149   2HG   LYS  15          3HG       LYS  15 -10.805   3.192   2.180
  150   1HD   LYS  15          2HD       LYS  15 -12.344   1.420   2.255
  151   2HD   LYS  15          3HD       LYS  15 -10.861   0.775   2.959
  152   1HE   LYS  15          2HE       LYS  15 -12.774   0.022   4.257
  153   2HE   LYS  15          3HE       LYS  15 -11.805   1.106   5.256
  154   1HZ   LYS  15          3HZ       LYS  15 -14.297   1.817   3.841
  155   2HZ   LYS  15          1HZ       LYS  15 -14.134   1.564   5.454
  156   3HZ   LYS  15          2HZ       LYS  15 -13.404   2.855   4.754
  157    QB   LYS  15           QB       LYS  15  -9.470   2.473   4.248
  158    QG   LYS  15           QG       LYS  15 -11.319   3.401   2.858
  159    QD   LYS  15           QD       LYS  15 -11.603   1.098   2.607
  160    QE   LYS  15           QE       LYS  15 -12.290   0.564   4.757
  161    QZ   LYS  15           QZ       LYS  15 -13.945   2.079   4.683
  162    H    SER  16           HN       SER  16  -9.855   3.821   6.953
  163    HA   SER  16           HA       SER  16  -7.240   4.772   7.855
  164   1HB   SER  16          2HB       SER  16  -9.252   5.070   9.279
  165   2HB   SER  16          3HB       SER  16  -9.275   3.311   9.534
  166    HG   SER  16           HG       SER  16  -6.942   4.886  10.001
  167    QB   SER  16           QB       SER  16  -9.264   4.190   9.406
  168    H    CYS  17           HN       CYS  17  -6.135   3.184   9.412
  169    HA   CYS  17           HA       CYS  17  -5.638   0.497   8.254
  170   1HB   CYS  17          2HB       CYS  17  -4.369   1.898   6.815
  171   2HB   CYS  17          3HB       CYS  17  -3.894   2.958   8.134
  172    QB   CYS  17           QB       CYS  17  -4.131   2.428   7.474
  173    H    GLU  20           HN       GLU  20  -5.097  -0.836  10.071
  174    HA   GLU  20           HA       GLU  20  -5.034   0.524  12.628
  175   1HB   GLU  20          2HB       GLU  20  -4.930  -1.698  13.621
  176   2HB   GLU  20          3HB       GLU  20  -6.269  -1.424  12.513
  177   1HG   GLU  20          2HG       GLU  20  -4.887  -2.704  10.732
  178   2HG   GLU  20          3HG       GLU  20  -3.853  -3.185  12.084
  179    QB   GLU  20           QB       GLU  20  -5.600  -1.561  13.067
  180    QG   GLU  20           QG       GLU  20  -4.370  -2.945  11.408
  181    H    GLU  21           HN       GLU  21  -2.542  -1.314  10.745
  182    HA   GLU  21           HA       GLU  21  -0.358  -0.781  12.365
  183   1HB   GLU  21          2HB       GLU  21  -0.515  -0.775   9.315
  184   2HB   GLU  21          3HB       GLU  21   0.982  -0.832  10.242
  185   1HG   GLU  21          2HG       GLU  21   0.797  -3.035   9.895
  186   2HG   GLU  21          3HG       GLU  21  -0.127  -2.944  11.386
  187    QB   GLU  21           QB       GLU  21   0.234  -0.803   9.779
  188    QG   GLU  21           QG       GLU  21   0.335  -2.989  10.640
  189    H    ASN  22           HN       ASN  22   1.481   0.603  11.811
  190    HA   ASN  22           HA       ASN  22   0.817   3.452  11.781
  191   1HB   ASN  22          2HB       ASN  22   2.624   2.391  13.173
  192   2HB   ASN  22          3HB       ASN  22   3.526   2.077  11.683
  193   1HD2  ASN  22          2HD2      ASN  22   3.900   5.647  13.476
  194   2HD2  ASN  22          1HD2      ASN  22   3.146   4.260  14.224
  195    QB   ASN  22           QB       ASN  22   3.075   2.234  12.428
  196    QD2  ASN  22           QD2      ASN  22   3.523   4.954  13.850
  197    H    SER  23           HN       SER  23   1.986   0.964   9.464
  198    HA   SER  23           HA       SER  23   2.880   3.001   7.567
  199   1HB   SER  23          2HB       SER  23   3.750   0.706   6.530
  200   2HB   SER  23          3HB       SER  23   4.550   1.427   7.927
  201    HG   SER  23           HG       SER  23   4.093  -0.797   8.257
  202    QB   SER  23           QB       SER  23   4.150   1.066   7.228
  203    H    CYS  24           HN       CYS  24   2.687   2.508   5.309
  204    HA   CYS  24           HA       CYS  24   0.068   1.362   4.490
  205   1HB   CYS  24          2HB       CYS  24   1.209   4.029   3.549
  206   2HB   CYS  24          3HB       CYS  24  -0.280   3.253   2.997
  207    QB   CYS  24           QB       CYS  24   0.464   3.641   3.273
  208    OH   TYR  25           OH       TYR  25  -1.227  -5.380   0.248
  209    H    TYR  25           HN       TYR  25   0.182   0.638   2.194
  210    HA   TYR  25           HA       TYR  25   2.783   0.962   0.901
  211   1HB   TYR  25          2HB       TYR  25   3.313  -1.284   0.593
  212   2HB   TYR  25          3HB       TYR  25   2.745  -1.262   2.256
  213    HD1  TYR  25           HD2      TYR  25   0.204  -1.763   2.590
  214    HD2  TYR  25           HD1      TYR  25   2.569  -3.091  -0.739
  215    HE1  TYR  25           HE2      TYR  25  -1.420  -3.575   2.171
  216    HE2  TYR  25           HE1      TYR  25   1.047  -5.034  -1.004
  217    HH   TYR  25           HH       TYR  25  -2.008  -5.337   0.804
  218    QB   TYR  25           QB       TYR  25   3.029  -1.273   1.425
  219    QR   TYR  25           QR       TYR  25   0.600  -3.366   0.754
  220    H    LYS  26           HN       LYS  26   2.913   0.285  -1.238
  221    HA   LYS  26           HA       LYS  26   0.390   0.419  -2.824
  222   1HB   LYS  26          2HB       LYS  26   1.791   2.476  -2.954
  223   2HB   LYS  26          3HB       LYS  26   3.192   1.486  -3.391
  224   1HG   LYS  26          2HG       LYS  26   1.979   0.765  -5.479
  225   2HG   LYS  26          3HG       LYS  26   0.640   1.822  -5.028
  226   1HD   LYS  26          2HD       LYS  26   2.212   3.771  -5.031
  227   2HD   LYS  26          3HD       LYS  26   3.552   2.679  -5.429
  228   1HE   LYS  26          2HE       LYS  26   2.473   2.085  -7.581
  229   2HE   LYS  26          3HE       LYS  26   1.101   3.135  -7.201
  230   1HZ   LYS  26          3HZ       LYS  26   3.892   4.064  -7.487
  231   2HZ   LYS  26          1HZ       LYS  26   2.734   4.188  -8.645
  232   3HZ   LYS  26          2HZ       LYS  26   2.575   5.018  -7.233
  233    QB   LYS  26           QB       LYS  26   2.492   1.981  -3.173
  234    QG   LYS  26           QG       LYS  26   1.310   1.293  -5.253
  235    QD   LYS  26           QD       LYS  26   2.882   3.225  -5.230
  236    QE   LYS  26           QE       LYS  26   1.787   2.610  -7.391
  237    QZ   LYS  26           QZ       LYS  26   3.067   4.423  -7.788
  238    H    LYS  27           HN       LYS  27   0.288  -1.199  -4.436
  239    HA   LYS  27           HA       LYS  27   2.498  -3.182  -4.603
  240   1HB   LYS  27          2HB       LYS  27   0.491  -3.472  -2.869
  241   2HB   LYS  27          3HB       LYS  27  -0.426  -3.958  -4.259
  242   1HG   LYS  27          2HG       LYS  27   2.123  -5.148  -3.114
  243   2HG   LYS  27          3HG       LYS  27   0.507  -5.869  -3.071
  244   1HD   LYS  27          2HD       LYS  27   2.218  -5.412  -5.542
  245   2HD   LYS  27          3HD       LYS  27   2.052  -6.947  -4.708
  246   1HE   LYS  27          2HE       LYS  27  -0.247  -5.425  -6.032
  247   2HE   LYS  27          3HE       LYS  27   0.601  -6.778  -6.772
  248   1HZ   LYS  27          3HZ       LYS  27  -0.904  -6.905  -4.239
  249   2HZ   LYS  27          1HZ       LYS  27  -1.545  -7.286  -5.620
  250   3HZ   LYS  27          2HZ       LYS  27  -0.290  -8.226  -5.079
  251    QB   LYS  27           QB       LYS  27   0.032  -3.715  -3.564
  252    QG   LYS  27           QG       LYS  27   1.315  -5.509  -3.092
  253    QD   LYS  27           QD       LYS  27   2.135  -6.180  -5.125
  254    QE   LYS  27           QE       LYS  27   0.177  -6.102  -6.402
  255    QZ   LYS  27           QZ       LYS  27  -0.913  -7.472  -4.979
  256    OH   TYR  28           OH       TYR  28   7.764  -0.513  -7.034
  257    H    TYR  28           HN       TYR  28   2.950  -3.320  -6.890
  258    HA   TYR  28           HA       TYR  28   0.714  -2.584  -8.720
  259   1HB   TYR  28          2HB       TYR  28   2.279  -1.006  -9.738
  260   2HB   TYR  28          3HB       TYR  28   1.702  -0.554  -8.152
  261    HD1  TYR  28           HD2      TYR  28   3.345  -0.914  -6.129
  262    HD2  TYR  28           HD1      TYR  28   4.606  -1.077 -10.250
  263    HE1  TYR  28           HE2      TYR  28   5.651  -0.402  -5.444
  264    HE2  TYR  28           HE1      TYR  28   6.946  -0.690  -9.536
  265    HH   TYR  28           HH       TYR  28   7.882  -0.593  -6.082
  266    QB   TYR  28           QB       TYR  28   1.991  -0.780  -8.945
  267    QR   TYR  28           QR       TYR  28   5.137  -0.771  -7.840
  268    CH2  TRP  29           CH2      TRP  29  -2.870  -7.260  -9.147
  269    H    TRP  29           HN       TRP  29   0.699  -3.493 -10.708
  270    HA   TRP  29           HA       TRP  29   3.187  -4.422 -11.852
  271   1HB   TRP  29          2HB       TRP  29   2.623  -6.621 -12.150
  272   2HB   TRP  29          3HB       TRP  29   2.357  -6.357 -10.445
  273    HD1  TRP  29           HD1      TRP  29   0.744  -7.669 -13.531
  274    HE1  TRP  29           HE1      TRP  29  -1.663  -8.395 -13.136
  275    HE3  TRP  29           HE3      TRP  29   0.088  -5.572  -8.915
  276    HZ2  TRP  29           HZ2      TRP  29  -3.509  -8.408 -10.863
  277    HZ3  TRP  29           HZ3      TRP  29  -2.021  -5.946  -7.668
  278    HH2  TRP  29           HH2      TRP  29  -3.758  -7.463  -8.566
  279    QB   TRP  29           QB       TRP  29   2.490  -6.489 -11.298
  280    NH1  ARG  30           NH2      ARG  30   6.577  -7.243 -14.251
  281    NH2  ARG  30           NH1      ARG  30   7.816  -7.090 -16.205
  282    H    ARG  30           HN       ARG  30   2.834  -5.334 -13.989
  283    HA   ARG  30           HA       ARG  30   0.712  -4.091 -15.606
  284   1HB   ARG  30          2HB       ARG  30   2.852  -4.962 -17.221
  285   2HB   ARG  30          3HB       ARG  30   2.403  -3.303 -16.803
  286   1HG   ARG  30          2HG       ARG  30   4.754  -3.579 -16.500
  287   2HG   ARG  30          3HG       ARG  30   3.979  -3.275 -14.961
  288   1HD   ARG  30          2HD       ARG  30   5.069  -5.030 -14.131
  289   2HD   ARG  30          3HD       ARG  30   4.094  -6.126 -15.151
  290    HE   ARG  30           HE       ARG  30   6.102  -5.326 -16.818
  291   1HH1  ARG  30          2HH2      ARG  30   5.792  -6.962 -13.683
  292   2HH1  ARG  30          1HH2      ARG  30   7.182  -7.940 -13.840
  293   1HH2  ARG  30          2HH1      ARG  30   7.977  -6.685 -17.117
  294   2HH2  ARG  30          1HH1      ARG  30   8.444  -7.813 -15.885
  295    QB   ARG  30           QB       ARG  30   2.627  -4.133 -17.012
  296    QG   ARG  30           QG       ARG  30   4.366  -3.427 -15.731
  297    QD   ARG  30           QD       ARG  30   4.581  -5.578 -14.641
  298    QH1  ARG  30           QH2      ARG  30   6.487  -7.451 -13.762
  299    QH2  ARG  30           QH1      ARG  30   8.211  -7.249 -16.501
  300    H    ASP  31           HN       ASP  31  -0.637  -5.589 -16.585
  301    HA   ASP  31           HA       ASP  31   0.597  -8.022 -17.557
  302   1HB   ASP  31          2HB       ASP  31  -0.927  -9.633 -16.807
  303   2HB   ASP  31          3HB       ASP  31  -0.388  -8.781 -15.375
  304    QB   ASP  31           QB       ASP  31  -0.657  -9.207 -16.091
  305    H    HIS  32           HN       HIS  32  -1.612  -9.137 -18.767
  306    HA   HIS  32           HA       HIS  32  -1.553  -7.381 -21.033
  307   1HB   HIS  32          2HB       HIS  32  -1.902 -10.099 -20.669
  308   2HB   HIS  32          3HB       HIS  32  -3.498  -9.598 -21.197
  309    HD1  HIS  32           HD1      HIS  32  -0.064 -10.247 -22.576
  310    HD2  HIS  32           HD2      HIS  32  -3.541  -8.085 -23.610
  311    HE1  HIS  32           HE1      HIS  32   0.160  -9.647 -25.066
  312    HE2  HIS  32           HE2      HIS  32  -1.969  -8.343 -25.686
  313    QB   HIS  32           QB       HIS  32  -2.700  -9.849 -20.933
  314    NH1  ARG  33           NH2      ARG  33  -5.400  -8.345 -14.870
  315    NH2  ARG  33           NH1      ARG  33  -4.656 -10.421 -15.452
  316    H    ARG  33           HN       ARG  33  -3.794  -7.651 -18.420
  317    HA   ARG  33           HA       ARG  33  -6.012  -6.289 -19.831
  318   1HB   ARG  33          2HB       ARG  33  -5.400  -6.828 -16.924
  319   2HB   ARG  33          3HB       ARG  33  -6.791  -5.873 -17.450
  320   1HG   ARG  33          2HG       ARG  33  -7.770  -7.634 -18.677
  321   2HG   ARG  33          3HG       ARG  33  -6.350  -8.676 -18.545
  322   1HD   ARG  33          2HD       ARG  33  -7.831  -7.849 -16.014
  323   2HD   ARG  33          3HD       ARG  33  -8.516  -9.066 -17.073
  324    HE   ARG  33           HE       ARG  33  -6.875 -10.589 -16.633
  325   1HH1  ARG  33          2HH2      ARG  33  -6.096  -7.620 -14.849
  326   2HH1  ARG  33          1HH2      ARG  33  -4.425  -8.151 -14.610
  327   1HH2  ARG  33          2HH1      ARG  33  -4.697 -11.270 -15.989
  328   2HH2  ARG  33          1HH1      ARG  33  -3.771 -10.111 -15.032
  329    QB   ARG  33           QB       ARG  33  -6.096  -6.350 -17.187
  330    QG   ARG  33           QG       ARG  33  -7.060  -8.155 -18.611
  331    QD   ARG  33           QD       ARG  33  -8.173  -8.457 -16.543
  332    QH1  ARG  33           QH2      ARG  33  -5.261  -7.886 -14.729
  333    QH2  ARG  33           QH1      ARG  33  -4.234 -10.691 -15.511
  334    H    GLY  34           HN       GLY  34  -3.005  -5.303 -18.132
  335   1HA   GLY  34          1HA       GLY  34  -2.548  -2.906 -19.043
  336   2HA   GLY  34          2HA       GLY  34  -3.960  -2.482 -18.061
  337    QA   GLY  34           QA       GLY  34  -3.254  -2.694 -18.552
  338    H    THR  35           HN       THR  35  -2.512  -1.097 -16.912
  339    HA   THR  35           HA       THR  35  -0.515  -2.317 -15.107
  340    HB   THR  35           HB       THR  35  -1.356   0.569 -15.269
  341    HG1  THR  35          1HG       THR  35  -0.483  -0.149 -17.254
  342   1HG2  THR  35          3HG2      THR  35  -0.132  -0.089 -13.189
  343   2HG2  THR  35          1HG2      THR  35   1.153  -0.804 -14.187
  344   3HG2  THR  35          2HG2      THR  35   0.861   0.943 -14.235
  345    QG2  THR  35           QG2      THR  35   0.627   0.017 -13.870
  346    H    ILE  36           HN       ILE  36  -1.398  -3.354 -13.362
  347    HA   ILE  36           HA       ILE  36  -3.880  -2.269 -12.148
  348    HB   ILE  36           HB       ILE  36  -2.533  -4.925 -11.698
  349   1HG1  ILE  36          2HG1      ILE  36  -5.088  -3.944 -13.074
  350   2HG1  ILE  36          3HG1      ILE  36  -3.706  -4.727 -13.855
  351   1HG2  ILE  36          2HG2      ILE  36  -3.601  -3.950  -9.607
  352   2HG2  ILE  36          3HG2      ILE  36  -5.106  -3.740 -10.522
  353   3HG2  ILE  36          1HG2      ILE  36  -4.458  -5.353 -10.192
  354   1HD1  ILE  36          2HD1      ILE  36  -5.572  -6.100 -11.862
  355   2HD1  ILE  36          3HD1      ILE  36  -5.669  -6.151 -13.609
  356   3HD1  ILE  36          1HD1      ILE  36  -4.239  -6.840 -12.789
  357    QG1  ILE  36           QG1      ILE  36  -4.397  -4.336 -13.464
  358    QG2  ILE  36           QG2      ILE  36  -4.388  -4.348 -10.107
  359    QD1  ILE  36           QD1      ILE  36  -5.160  -6.364 -12.753
  360    H    ILE  37           HN       ILE  37  -3.521  -0.687 -10.849
  361    HA   ILE  37           HA       ILE  37  -1.311  -0.581  -8.923
  362    HB   ILE  37           HB       ILE  37  -3.848   1.078  -9.473
  363   1HG1  ILE  37          2HG1      ILE  37  -2.244   1.337 -11.318
  364   2HG1  ILE  37          3HG1      ILE  37  -2.416   2.803 -10.369
  365   1HG2  ILE  37          2HG2      ILE  37  -1.546   1.549  -7.544
  366   2HG2  ILE  37          3HG2      ILE  37  -2.763   2.762  -8.033
  367   3HG2  ILE  37          1HG2      ILE  37  -3.262   1.289  -7.167
  368   1HD1  ILE  37          2HD1      ILE  37  -0.250   2.326  -9.228
  369   2HD1  ILE  37          3HD1      ILE  37  -0.075   0.854 -10.216
  370   3HD1  ILE  37          1HD1      ILE  37  -0.092   2.449 -10.983
  371    QG1  ILE  37           QG1      ILE  37  -2.330   2.070 -10.843
  372    QG2  ILE  37           QG2      ILE  37  -2.524   1.867  -7.582
  373    QD1  ILE  37           QD1      ILE  37  -0.139   1.876 -10.142
  374    H    GLU  38           HN       GLU  38  -1.577  -1.601  -6.946
  375    HA   GLU  38           HA       GLU  38  -4.284  -1.965  -5.816
  376   1HB   GLU  38          2HB       GLU  38  -3.414  -4.159  -6.775
  377   2HB   GLU  38          3HB       GLU  38  -1.999  -3.953  -5.757
  378   1HG   GLU  38          2HG       GLU  38  -3.737  -4.035  -3.760
  379   2HG   GLU  38          3HG       GLU  38  -4.802  -4.750  -4.981
  380    QB   GLU  38           QB       GLU  38  -2.706  -4.056  -6.266
  381    QG   GLU  38           QG       GLU  38  -4.270  -4.392  -4.370
  382    NH1  ARG  39           NH2      ARG  39  -2.743   3.037  -5.208
  383    NH2  ARG  39           NH1      ARG  39  -0.729   4.033  -4.814
  384    H    ARG  39           HN       ARG  39  -3.920  -2.161  -3.315
  385    HA   ARG  39           HA       ARG  39  -1.635  -0.657  -2.318
  386   1HB   ARG  39          2HB       ARG  39  -2.905   0.964  -3.713
  387   2HB   ARG  39          3HB       ARG  39  -4.398   0.583  -2.831
  388   1HG   ARG  39          2HG       ARG  39  -3.495   1.533  -0.822
  389   2HG   ARG  39          3HG       ARG  39  -1.878   1.650  -1.553
  390   1HD   ARG  39          2HD       ARG  39  -4.202   3.115  -2.851
  391   2HD   ARG  39          3HD       ARG  39  -3.347   3.737  -1.431
  392    HE   ARG  39           HE       ARG  39  -1.437   4.086  -2.479
  393   1HH1  ARG  39          2HH2      ARG  39  -3.622   2.617  -4.907
  394   2HH1  ARG  39          1HH2      ARG  39  -2.500   3.018  -6.180
  395   1HH2  ARG  39          2HH1      ARG  39  -0.062   4.289  -4.082
  396   2HH2  ARG  39          1HH1      ARG  39  -0.852   4.897  -5.355
  397    QB   ARG  39           QB       ARG  39  -3.652   0.773  -3.272
  398    QG   ARG  39           QG       ARG  39  -2.686   1.592  -1.188
  399    QD   ARG  39           QD       ARG  39  -3.775   3.426  -2.141
  400    QH1  ARG  39           QH2      ARG  39  -3.061   2.817  -5.544
  401    QH2  ARG  39           QH1      ARG  39  -0.457   4.593  -4.718
  402    H    GLY  40           HN       GLY  40  -1.828  -0.322   0.027
  403   1HA   GLY  40          1HA       GLY  40  -4.261  -0.776   1.382
  404   2HA   GLY  40          2HA       GLY  40  -3.361  -2.304   1.380
  405    QA   GLY  40           QA       GLY  40  -3.811  -1.540   1.381
  406    H    CYS  41           HN       CYS  41  -3.310  -2.090   3.637
  407    HA   CYS  41           HA       CYS  41  -1.793   0.129   4.870
  408   1HB   CYS  41          2HB       CYS  41  -3.796   0.032   5.748
  409   2HB   CYS  41          3HB       CYS  41  -3.994  -1.748   5.705
  410    QB   CYS  41           QB       CYS  41  -3.895  -0.858   5.727
  411    H    GLY  42           HN       GLY  42  -0.598  -0.371   6.701
  412   1HA   GLY  42          1HA       GLY  42   1.139  -1.473   7.866
  413   2HA   GLY  42          2HA       GLY  42   0.537  -2.985   7.192
  414    QA   GLY  42           QA       GLY  42   0.838  -2.229   7.529
  415    H    CYS  43           HN       CYS  43   2.590  -3.786   6.769
  416    HA   CYS  43           HA       CYS  43   3.791  -2.868   4.225
  417   1HB   CYS  43          2HB       CYS  43   5.083  -1.666   5.966
  418   2HB   CYS  43          3HB       CYS  43   5.442  -3.216   6.740
  419    QB   CYS  43           QB       CYS  43   5.262  -2.441   6.353
  420    HA   PRO  44           HA       PRO  44   3.623  -7.491   4.740
  421   1HB   PRO  44          2HB       PRO  44   1.985  -8.163   2.683
  422   2HB   PRO  44          3HB       PRO  44   1.333  -7.510   4.215
  423   1HG   PRO  44          2HG       PRO  44   1.954  -5.963   1.679
  424   2HG   PRO  44          3HG       PRO  44   0.413  -5.987   2.592
  425   1HD   PRO  44          2HD       PRO  44   2.292  -4.040   2.968
  426   2HD   PRO  44          3HD       PRO  44   1.336  -4.678   4.338
  427    QB   PRO  44           QB       PRO  44   1.659  -7.837   3.449
  428    QG   PRO  44           QG       PRO  44   1.183  -5.975   2.135
  429    QD   PRO  44           QD       PRO  44   1.814  -4.359   3.653
  430    H    LYS  45           HN       LYS  45   4.345  -9.129   3.091
  431    HA   LYS  45           HA       LYS  45   6.084  -7.988   0.948
  432   1HB   LYS  45          2HB       LYS  45   7.362  -9.065   2.615
  433   2HB   LYS  45          3HB       LYS  45   6.371 -10.541   2.566
  434   1HG   LYS  45          2HG       LYS  45   7.195 -10.994   0.278
  435   2HG   LYS  45          3HG       LYS  45   8.143  -9.494   0.301
  436   1HD   LYS  45          2HD       LYS  45   8.480 -11.856   2.211
  437   2HD   LYS  45          3HD       LYS  45   9.424 -11.598   0.734
  438   1HE   LYS  45          2HE       LYS  45  10.225  -9.392   1.672
  439   2HE   LYS  45          3HE       LYS  45   9.397  -9.769   3.193
  440   1HZ   LYS  45          3HZ       LYS  45  11.567 -11.361   2.007
  441   2HZ   LYS  45          1HZ       LYS  45  11.699 -10.337   3.283
  442   3HZ   LYS  45          2HZ       LYS  45  10.790 -11.697   3.420
  443    QB   LYS  45           QB       LYS  45   6.866  -9.803   2.590
  444    QG   LYS  45           QG       LYS  45   7.669 -10.244   0.289
  445    QD   LYS  45           QD       LYS  45   8.952 -11.727   1.473
  446    QE   LYS  45           QE       LYS  45   9.811  -9.580   2.432
  447    QZ   LYS  45           QZ       LYS  45  11.352 -11.132   2.904
  448    H    VAL  46           HN       VAL  46   6.194  -9.325  -0.922
  449    HA   VAL  46           HA       VAL  46   3.650 -10.711  -1.631
  450    HB   VAL  46           HB       VAL  46   3.331  -9.276  -3.554
  451   1HG1  VAL  46          1HG1      VAL  46   2.303  -8.638  -1.378
  452   2HG1  VAL  46          2HG1      VAL  46   3.673  -7.544  -1.070
  453   3HG1  VAL  46          3HG1      VAL  46   2.606  -7.264  -2.444
  454   1HG2  VAL  46          2HG2      VAL  46   5.686  -8.651  -4.044
  455   2HG2  VAL  46          3HG2      VAL  46   4.626  -7.248  -3.932
  456   3HG2  VAL  46          1HG2      VAL  46   5.716  -7.642  -2.583
  457    QG1  VAL  46           QG1      VAL  46   2.861  -7.815  -1.631
  458    QG2  VAL  46           QG2      VAL  46   5.343  -7.847  -3.520
  459    QQG  VAL  46           QQG      VAL  46   4.102  -7.831  -2.575
  460    H    LYS  47           HN       LYS  47   3.974 -11.071  -4.269
  461    HA   LYS  47           HA       LYS  47   6.115 -13.090  -4.305
  462   1HB   LYS  47          2HB       LYS  47   3.990 -12.531  -6.387
  463   2HB   LYS  47          3HB       LYS  47   4.886 -14.021  -6.181
  464   1HG   LYS  47          2HG       LYS  47   2.728 -12.975  -4.314
  465   2HG   LYS  47          3HG       LYS  47   2.655 -14.356  -5.407
  466   1HD   LYS  47          2HD       LYS  47   4.456 -15.491  -4.145
  467   2HD   LYS  47          3HD       LYS  47   4.540 -14.123  -3.012
  468   1HE   LYS  47          2HE       LYS  47   2.226 -14.490  -2.296
  469   2HE   LYS  47          3HE       LYS  47   2.025 -15.793  -3.481
  470   1HZ   LYS  47          1HZ       LYS  47   3.710 -17.039  -2.306
  471   2HZ   LYS  47          2HZ       LYS  47   3.888 -15.836  -1.196
  472   3HZ   LYS  47          3HZ       LYS  47   2.467 -16.652  -1.305
  473    QB   LYS  47           QB       LYS  47   4.438 -13.276  -6.284
  474    QG   LYS  47           QG       LYS  47   2.691 -13.666  -4.860
  475    QD   LYS  47           QD       LYS  47   4.498 -14.807  -3.579
  476    QE   LYS  47           QE       LYS  47   2.126 -15.141  -2.888
  477    QZ   LYS  47           QZ       LYS  47   3.355 -16.509  -1.602
  478    HA   PRO  48           HA       PRO  48   8.714 -10.602  -6.758
  479   1HB   PRO  48          2HB       PRO  48  10.159 -12.321  -8.298
  480   2HB   PRO  48          3HB       PRO  48  10.213 -12.363  -6.513
  481   1HG   PRO  48          2HG       PRO  48   8.545 -14.095  -8.349
  482   2HG   PRO  48          3HG       PRO  48   9.583 -14.627  -6.995
  483   1HD   PRO  48          2HD       PRO  48   6.894 -14.254  -6.785
  484   2HD   PRO  48          3HD       PRO  48   7.956 -13.924  -5.395
  485    QB   PRO  48           QB       PRO  48  10.186 -12.342  -7.406
  486    QG   PRO  48           QG       PRO  48   9.064 -14.361  -7.672
  487    QD   PRO  48           QD       PRO  48   7.425 -14.089  -6.090
  488    H    GLY  49           HN       GLY  49   9.391  -9.952  -9.055
  489   1HA   GLY  49          1HA       GLY  49   8.883  -9.281 -11.161
  490   2HA   GLY  49          2HA       GLY  49   7.742 -10.620 -11.255
  491    QA   GLY  49           QA       GLY  49   8.313  -9.950 -11.208
  492    H    VAL  50           HN       VAL  50   6.860  -8.932  -8.552
  493    HA   VAL  50           HA       VAL  50   4.916  -7.104  -9.871
  494    HB   VAL  50           HB       VAL  50   4.713  -9.033  -7.505
  495   1HG1  VAL  50          3HG1      VAL  50   2.737  -6.858  -8.273
  496   2HG1  VAL  50          1HG1      VAL  50   2.445  -8.194  -7.135
  497   3HG1  VAL  50          2HG1      VAL  50   3.674  -6.979  -6.768
  498   1HG2  VAL  50          1HG2      VAL  50   3.112  -8.768 -10.087
  499   2HG2  VAL  50          2HG2      VAL  50   4.289 -10.042  -9.710
  500   3HG2  VAL  50          3HG2      VAL  50   2.788  -9.930  -8.783
  501    QG1  VAL  50           QG1      VAL  50   2.952  -7.344  -7.392
  502    QG2  VAL  50           QG2      VAL  50   3.396  -9.580  -9.527
  503    QQG  VAL  50           QQG      VAL  50   3.174  -8.462  -8.459
  504    H    GLY  51           HN       GLY  51   5.130  -4.966  -9.079
  505   1HA   GLY  51          1HA       GLY  51   7.383  -4.514  -7.398
  506   2HA   GLY  51          2HA       GLY  51   6.416  -3.260  -8.116
  507    QA   GLY  51           QA       GLY  51   6.899  -3.887  -7.757
  508    H    ILE  52           HN       ILE  52   7.244  -3.080  -5.614
  509    HA   ILE  52           HA       ILE  52   4.789  -2.845  -4.074
  510    HB   ILE  52           HB       ILE  52   5.391  -5.155  -3.697
  511   1HG1  ILE  52          2HG1      ILE  52   4.485  -3.568  -1.843
  512   2HG1  ILE  52          3HG1      ILE  52   4.875  -5.253  -1.523
  513   1HG2  ILE  52          1HG2      ILE  52   7.786  -5.153  -4.083
  514   2HG2  ILE  52          2HG2      ILE  52   8.069  -4.211  -2.609
  515   3HG2  ILE  52          3HG2      ILE  52   7.425  -5.861  -2.508
  516   1HD1  ILE  52          2HD1      ILE  52   6.763  -2.966  -0.834
  517   2HD1  ILE  52          3HD1      ILE  52   5.623  -3.742   0.277
  518   3HD1  ILE  52          1HD1      ILE  52   6.945  -4.683  -0.422
  519    QG1  ILE  52           QG1      ILE  52   4.680  -4.410  -1.683
  520    QG2  ILE  52           QG2      ILE  52   7.760  -5.075  -3.066
  521    QD1  ILE  52           QD1      ILE  52   6.443  -3.797  -0.327
  522    H    HIS  53           HN       HIS  53   4.984  -1.277  -2.418
  523    HA   HIS  53           HA       HIS  53   7.607  -0.695  -1.383
  524   1HB   HIS  53          2HB       HIS  53   7.499   0.838  -3.430
  525   2HB   HIS  53          3HB       HIS  53   6.164   1.675  -2.643
  526    HD1  HIS  53           HD1      HIS  53   9.921   0.935  -2.113
  527    HD2  HIS  53           HD2      HIS  53   6.730   3.077  -0.381
  528    HE1  HIS  53           HE1      HIS  53  10.889   2.206  -0.101
  529    HE2  HIS  53           HE2      HIS  53   8.916   3.458   0.959
  530    QB   HIS  53           QB       HIS  53   6.831   1.257  -3.036
  531    H    CYS  54           HN       CYS  54   7.357  -0.187   0.790
  532    HA   CYS  54           HA       CYS  54   4.745   0.861   1.691
  533   1HB   CYS  54          2HB       CYS  54   4.723  -0.549   3.516
  534   2HB   CYS  54          3HB       CYS  54   5.336  -1.613   2.260
  535    QB   CYS  54           QB       CYS  54   5.030  -1.081   2.888
  536    H    CYS  55           HN       CYS  55   4.897   1.969   3.800
  537    HA   CYS  55           HA       CYS  55   7.414   3.103   4.664
  538   1HB   CYS  55          2HB       CYS  55   6.669   5.462   3.994
  539   2HB   CYS  55          3HB       CYS  55   7.382   4.442   2.755
  540    QB   CYS  55           QB       CYS  55   7.025   4.952   3.374
  541    H    GLN  56           HN       GLN  56   7.020   4.789   6.318
  542    HA   GLN  56           HA       GLN  56   4.778   3.816   8.017
  543   1HB   GLN  56          2HB       GLN  56   7.396   5.016   8.923
  544   2HB   GLN  56          3HB       GLN  56   6.180   4.156   9.876
  545   1HG   GLN  56          2HG       GLN  56   6.625   2.105   8.457
  546   2HG   GLN  56          3HG       GLN  56   8.019   2.955   7.770
  547   1HE2  GLN  56          2HE2      GLN  56   9.728   3.000  11.033
  548   2HE2  GLN  56          1HE2      GLN  56   9.379   4.110   9.716
  549    QB   GLN  56           QB       GLN  56   6.788   4.586   9.400
  550    QG   GLN  56           QG       GLN  56   7.322   2.530   8.113
  551    QE2  GLN  56           QE2      GLN  56   9.554   3.555  10.374
  552    H    SER  57           HN       SER  57   4.265   6.086   6.214
  553    HA   SER  57           HA       SER  57   3.771   8.200   8.267
  554   1HB   SER  57          2HB       SER  57   3.832   9.502   5.794
  555   2HB   SER  57          3HB       SER  57   5.032   9.604   7.082
  556    HG   SER  57           HG       SER  57   6.135   7.861   6.120
  557    QB   SER  57           QB       SER  57   4.432   9.553   6.438
  558    H    ASP  58           HN       ASP  58   1.851   9.473   7.894
  559    HA   ASP  58           HA       ASP  58  -0.373   7.827   7.231
  560   1HB   ASP  58          2HB       ASP  58  -0.356   9.959   8.757
  561   2HB   ASP  58          3HB       ASP  58  -0.538  10.842   7.191
  562    QB   ASP  58           QB       ASP  58  -0.447  10.400   7.974
  563    H    LYS  59           HN       LYS  59  -1.522   7.655   5.423
  564    HA   LYS  59           HA       LYS  59  -1.938   7.576   3.131
  565   1HB   LYS  59          2HB       LYS  59  -1.307  10.517   3.514
  566   2HB   LYS  59          3HB       LYS  59  -2.154   9.834   2.135
  567   1HG   LYS  59          2HG       LYS  59  -4.078   9.293   3.343
  568   2HG   LYS  59          3HG       LYS  59  -3.234   9.299   4.897
  569   1HD   LYS  59          2HD       LYS  59  -4.600  11.269   4.784
  570   2HD   LYS  59          3HD       LYS  59  -2.888  11.690   4.808
  571   1HE   LYS  59          2HE       LYS  59  -2.961  11.954   2.277
  572   2HE   LYS  59          3HE       LYS  59  -4.706  11.643   2.335
  573   1HZ   LYS  59          3HZ       LYS  59  -3.297  13.851   3.689
  574   2HZ   LYS  59          1HZ       LYS  59  -4.118  13.984   2.272
  575   3HZ   LYS  59          2HZ       LYS  59  -4.929  13.628   3.661
  576    QB   LYS  59           QB       LYS  59  -1.731  10.176   2.825
  577    QG   LYS  59           QG       LYS  59  -3.656   9.296   4.120
  578    QD   LYS  59           QD       LYS  59  -3.744  11.479   4.796
  579    QE   LYS  59           QE       LYS  59  -3.834  11.799   2.306
  580    QZ   LYS  59           QZ       LYS  59  -4.115  13.821   3.207
  581    H    CYS  60           HN       CYS  60   1.101   7.376   3.953
  582    HA   CYS  60           HA       CYS  60   2.553   8.765   1.986
  583   1HB   CYS  60          2HB       CYS  60   4.458   7.655   2.864
  584   2HB   CYS  60          3HB       CYS  60   3.319   7.849   4.188
  585    QB   CYS  60           QB       CYS  60   3.889   7.752   3.526
  586    H    ASN  61           HN       ASN  61   0.460   6.394   1.134
  587    HA   ASN  61           HA       ASN  61   2.263   4.970  -0.692
  588   1HB   ASN  61          2HB       ASN  61   0.773   3.139  -0.532
  589   2HB   ASN  61          3HB       ASN  61   1.178   3.666   1.097
  590   1HD2  ASN  61          2HD2      ASN  61  -2.540   2.933   0.765
  591   2HD2  ASN  61          1HD2      ASN  61  -1.069   2.009   0.480
  592    QB   ASN  61           QB       ASN  61   0.975   3.403   0.283
  593    QD2  ASN  61           QD2      ASN  61  -1.805   2.471   0.622
  594    OH   TYR  62           OH       TYR  62  -4.513  12.576  -4.656
  595    H    TYR  62           HN       TYR  62   0.669   7.619  -1.234
  596    HA   TYR  62           HA       TYR  62  -1.632   7.394  -2.573
  597   1HB   TYR  62          2HB       TYR  62   0.055   9.405  -2.104
  598   2HB   TYR  62          3HB       TYR  62   0.421   9.156  -3.803
  599    HD1  TYR  62           HD1      TYR  62  -2.032   8.842  -5.255
  600    HD2  TYR  62           HD2      TYR  62  -1.004  11.458  -1.995
  601    HE1  TYR  62           HE1      TYR  62  -3.898  10.322  -5.863
  602    HE2  TYR  62           HE2      TYR  62  -2.766  13.020  -2.705
  603    HH   TYR  62           HH       TYR  62  -4.465  13.433  -4.229
  604    QB   TYR  62           QB       TYR  62   0.238   9.280  -2.954
  605    QR   TYR  62           QR       TYR  62  -2.425  10.910  -3.955
   
   
  No H/Q in entry =         605