*HEADER    PROTEINASE INHIBITOR(KAZAL TYPE)        22-FEB-94   1PCE      
*COMPND    PEC-60 (PEPTIDE WITH N-TERMINAL GLUTAMIC ACID, C-TERMINAL     
*COMPND   2 CYSTEINE AND A TOTAL OF 60 RESIDUES) (NMR, 20 STRUCTURES)    
*SOURCE    PIG (SUS SCROFA) INTESTINE                                    
*EXPDTA    NMR                                                           
*AUTHOR    E.LIEPINSH,K.D.BERNDT,R.SILLARD,V.MUTT,G.OTTING               
*REVDAT   1   12-OCT-04 1PCE    0   

REMARK   1                                                              1PEC  13
REMARK   1 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION   1PEC  14
REMARK   1 OF THE THREE-DIMENSIONAL STRUCTURE OF PEC-60 BY NUCLEAR      1PEC  15
REMARK   1 MAGNETIC RESONANCE SPECTROSCOPY IN SOLUTION.                 1PEC  16
REMARK   1                                                              1PEC  17
REMARK   1 THE DIFFERENT KINDS OF DATA, TOGETHER WITH THE CORRESPONDING 1PEC  18
REMARK   1 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE. SEE     1PEC  19
REMARK   1 REMARK 2 FOR THE DETAILS.                                    1PEC  20
REMARK   1                                                              1PEC  21
REMARK   1 RECORD CONTENT                                     UNIT      1PEC  22
REMARK   1 ------ ------------------------------------------- --------- 1PEC  23
REMARK   1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED PROTONS     PPM       1PEC  24
REMARK   1 JCOUPL VICINAL SCALAR COUPLING CONSTANTS           HERTZ     1PEC  25
REMARK   1        DETERMINED FOR 1H-1H COUPLINGS                        1PEC  26
REMARK   1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1PEC  27
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            1PEC  28
REMARK   1 ANGLE  TORSION ANGLE CONSTRAINTS IN THE FORM OF    DEGREES   1PEC  29
REMARK   1        AN ALLOWED INTERVAL                                   1PEC  30
REMARK   1                                                              1PEC  31
REMARK   1 ALL EXPERIMENTAL INPUT DATA (EXCEPT FOR THE AMINO ACID       1PEC  32
REMARK   1 SEQUENCE) FOR THE DISTANCE GEOMETRY CALCULATIONS WITH THE    1PEC  33
REMARK   1 PROGRAM DIANA AND REFINEMENT WITH OPAL IS GIVEN IN THE       1PEC  34
REMARK   1 RECORDS NOEUPP AND ANGLE.                                    1PEC  35
REMARK   2                                                              1PEC  36
REMARK   2                                                              1PEC  37
REMARK   2 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE        1PEC  38
REMARK   2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE     1PEC  39
REMARK   2 MASTER RECORD.                                               1PEC  40
REMARK   2                                                              1PEC  41
REMARK   2 RECORD CONTENTS (FORTRAN FORMAT)                             1PEC  42
REMARK   2 ------ ----------------------------------------------------- 1PEC  43
REMARK   2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL     1PEC  44
REMARK   2        SHIFT(S), ATOM NAME, CHEMICAL SHIFT(S), ATOM NAME,    1PEC  45
REMARK   2        CHEMICAL SHIFT(S)                                     1PEC  46
REMARK   2        ('SHIFTS',2X,A4,I4,2X,3(A4,2F6.2,2X))                 1PEC  47
REMARK   2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM   1PEC  48
REMARK   2        NAME, J-COUPLING CONSTANT, UNCERTAINTY OF J-COUPLING  1PEC  49
REMARK   2        CONSTANT, FIRST AND SECOND ATOM NAME, J-COUPLING      1PEC  50
REMARK   2        CONSTANT, UNCERTAINTY OF J-COUPLING CONSTANT          1PEC  51
REMARK   2        ('JCOUPL',2X,A4,I4,2X,2(A4,1X,A4,2F6.2,3X))           1PEC  52
REMARK   2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM  1PEC  53
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     1PEC  54
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM    1PEC  55
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     1PEC  56
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT                1PEC  57
REMARK   2        ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))   1PEC  58
REMARK   2 NOELOW FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM  1PEC  59
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     1PEC  60
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM    1PEC  61
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     1PEC  62
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT                1PEC  63
REMARK   2        ('NOELOW',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))   1PEC  64
REMARK   2 ANGLE  RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND   1PEC  65
REMARK   2        UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND        1PEC  66
REMARK   2        ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X))                  1PEC  67
REMARK   2 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS,   1PEC  68
REMARK   2        NUMBER OF SHIFTS RECORDS, NUMBER OF JCOUPL RECORDS,   1PEC  69
REMARK   2        NUMBER OF NOEUPP RECORDS, NUMBER OF NOELOW RECORDS,   1PEC  70
REMARK   2        NUMBER OF ANGLE RECORDS                               1PEC  71
REMARK   2        ('MASTER',4X,8I5)                                     1PEC  72
REMARK   3                                                              1PEC  73
REMARK   3 ATOM NAMES HAVE BEEN ASSIGNED FOLLOWING THE RECOMMENDATIONS  1PEC  74
REMARK   3 OF THE IUPAC-IUB COMMISSION AS PUBLISHED IN BIOCHEMISTRY     1PEC  75
REMARK   3 (1970) VOL. 9, 3471-3479. THE HYDROGEN ATOM                  1PEC  76
REMARK   3 NUMBERS OF THOSE HYDROGEN ATOMS WHICH ARE CONNECTED TO THE   1PEC  77
REMARK   3 SAME NON-HYDROGEN ATOM ARE WRITTEN AS THE FIRST CHARACTER    1PEC  78
REMARK   3 RATHER THAN THE LAST CHARACTER OF THE ATOM NAMES.            1PEC  79
REMARK   3 THEY ARE IDENTICAL WITH THE ATOM NAMES USED IN THE           1PEC  80
REMARK   3 COORDINATE FILE 1PEC.                                        1PEC  81
REMARK   4                                                              1PEC  82
REMARK   4 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE     1PEC  83
REMARK   4 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS                1PEC  84
REMARK   4 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983)    1PEC  85
REMARK   4 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL     1PEC  86
REMARK   4 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR     1PEC  87
REMARK   4 WHICH NO INDIVIDUAL ASSIGNMENTS HAD BEEN OBTAINED.           1PEC  88
REMARK   5                                                              1PEC  89
REMARK   5 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE         1PEC  90
REMARK   5 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN         1PEC  91
REMARK   5 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ...         1PEC  92
REMARK   5 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF    1PEC  93
REMARK   5 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS  1PEC  94
REMARK   5 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE      1PEC  95
REMARK   5 HYDROGEN  ATOMS ARE ATTACHED. QQG AND QQD DENOTE THE PSEUDO- 1PEC  96
REMARK   5 ATOMS FOR THE 6 HYDROGEN ATOMS OF THE ISOPROPYL METHYL       1PEC  97
REMARK   5 GROUPS OF VAL AND LEU, RESPECTIVELY. QQH DENOTES THE         1PEC  98
REMARK   5 PSEUDOATOM FOR THE 4 HYDROGEN ATOMS 1HH1, 2HH1, 1HH2 AND     1PEC  99
REMARK   5 2HH2 OF ARG.                                                 1PEC 100
REMARK   5 THE DELTA AND EPSILON HYDROGENS OF THE AROMATIC RINGS OF     1PEC 101
REMARK   5 TYR HAVE BEEN INIDVIDUALLY IDENTIFIED BUT THEY ARE           1PEC 102
REMARK   5 DEGENERATE IN THE ONE AND TWO POSITIONS AND THEIR CHEMICAL   1PEC 103
REMARK   5 SHIFTS WERE LISTED UNDER CG AND CZ, RESPECTIVELY.            1PEC 104
REMARK   5                                                              1PEC 105
SHIFTS  GLU    1   HA   4.07        1HB   2.26        2HB   2.33        1PEC 106
SHIFTS  GLU    1   QG   2.40                                            1PEC 107
SHIFTS  LYS    2   H    8.74         HA   4.31         QB   1.76        1PEC 108
SHIFTS  LYS    2   QG   1.41         QD   1.68         QE   2.98        1PEC 109
SHIFTS  GLN    3   H    8.50         HA   4.32         QB   1.93        1PEC 110
SHIFTS  GLN    3   QG   2.25        1HE2  7.44        2HE2  6.82        1PEC 111
shifts  VAL    4   H    8.13         HA   4.11         HB   1.99        1PEC 112
SHIFTS  VAL    4   QQG  0.87                                            1PEC 113
SHIFTS  PHE    5   H    8.39         HA   4.73        1HB   3.01        1PEC 114
SHIFTS  PHE    5  2HB   3.15         CG   7.26         CZ   7.29        1PEC 115
SHIFTS  PHE    5   HZ   7.30                                            1PEC 116
SHIFTS  SER    6   H    7.92         HA   4.70        1HB   3.61        1PEC 117
SHIFTS  SER    6  2HB   3.56                                            1PEC 118
SHIFTS  ARG    7   H    8.86         HA   4.74         QB   1.72        1PEC 119
SHIFTS  ARG    7  1HG   1.38        2HG   1.49         QD   3.11        1PEC 120
SHIFTS  ARG    7   HE   7.47         QQH  6.99                          1PEC 121
SHIFTS  MET    8   H    8.63         HA   4.64        1HB   1.95        1PEC 122
SHIFTS  MET    8  2HB   2.03        1HG   2.57        2HG   2.64        1PEC 123
SHIFTS  MET    8   QE   2.09                                            1PEC 124
SHIFTS  PRO    9   HA   4.55        1HB   2.00        2HB   1.95        1PEC 125
SHIFTS  PRO    9  1HG   1.88        2HG   2.05        1HD   3.75        1PEC 126
SHIFTS  PRO    9  2HD   4.06                                            1PEC 127
SHIFTS  ILE   10   H    8.83         HA   4.11         HB   1.89        1PEC 128
SHIFTS  ILE   10  1HG1  1.20        2HG1  1.50         QG2  0.88        1PEC 129
SHIFTS  ILE   10   QD1  0.83                                            1PEC 130
SHIFTS  CYS   11   H    8.24         HA   4.94        1HB   2.78        1PEC 131
SHIFTS  CYS   11  2HB   3.32                                            1PEC 132
SHIFTS  GLU   12   H    8.20         HA   4.17         QB   1.83        1PEC 133
SHIFTS  GLU   12   QG   2.13                                            1PEC 134
SHIFTS  HIS   13   H    8.69         HA   4.67        1HB   3.23        1PEC 135
SHIFTS  HIS   13  2HB   3.37         HD2  7.26         HE1  8.57        1PEC 136
SHIFTS  MET   14   H    8.12         HA   4.51        1HB   2.03        1PEC 137
SHIFTS  MET   14  2HB   2.10        1HG   2.49        2HG   2.60        1PEC 138
SHIFTS  MET   14   QE   2.09                                            1PEC 139
SHIFTS  THR   15   H    7.96         HA   4.27         HB   4.33        1PEC 140
SHIFTS  THR   15   QG2  1.20                                            1PEC 141
SHIFTS  GLU   16   H    8.05         HA   4.33        1HB   1.97        1PEC 142
SHIFTS  GLU   16  2HB   2.13         QG   2.32                          1PEC 143
SHIFTS  SER   17   H    8.03         HA   4.66         QB   3.86        1PEC 144
SHIFTS  PRO   18   HA   4.42        1HB   2.25        2HB   1.92        1PEC 145
SHIFTS  PRO   18   QG   1.99         QD   3.69                          1PEC 146
SHIFTS  ASP   19   H    8.16         HA   4.67        1HB   2.67        1PEC 147
SHIFTS  ASP   19  2HB   2.77                                            1PEC 148
SHIFTS  CYS   20   H    8.38         HA   4.72        1HB   2.90        1PEC 149
SHIFTS  CYS   20  2HB   3.35                                            1PEC 150
SHIFTS  SER   21   H    8.45         HA   4.28         QB   3.96        1PEC 151
SHIFTS  ARG   22   H    8.32         HA   4.30        1HB   1.81        1PEC 152
SHIFTS  ARG   22  2HB   2.01        1HG   1.61        2HG   1.66        1PEC 153
SHIFTS  ARG   22   QD   3.20         HE   7.23                          1PEC 154
SHIFTS  ILE   23   H    7.35         HA   4.18         HB   1.81        1PEC 155
SHIFTS  ILE   23  1HG1  1.12        2HG1  1.51         QG2  0.95        1PEC 156
SHIFTS  ILE   23   QD1  0.93                                            1PEC 157
SHIFTS  TYR   24   H    8.75         HA   4.79        1HB   2.86        1PEC 158
SHIFTS  TYR   24  2HB   3.06         CG   7.19         CE   6.80        1PEC 159
SHIFTS  ASP   25   H    8.63         HA   4.68        1HB   2.64        1PEC 160
SHIFTS  ASP   25  2HB   2.71                                            1PEC 161
SHIFTS  PRO   26   HA   4.53        1HB   1.36        2HB   1.82        1PEC 162
SHIFTS  PRO   26  1HG   1.61        2HG   1.71        1HD   2.20        1PEC 163
SHIFTS  PRO   26  2HD   3.34                                            1PEC 164
SHIFTS  VAL   27   H    8.34         HA   4.81         HB   2.08        1PEC 165
SHIFTS  VAL   27   QG1  0.99         QG2  0.70                          1PEC 166
SHIFTS  CYS   28   H    8.40         HA   5.29        1HB   2.79        1PEC 167
SHIFTS  CYS   28  2HB   2.74                                            1PEC 168
SHIFTS  GLY   29   H    9.53        1HA   5.31        2HA   4.32        1PEC 169
SHIFTS  THR   30   H    8.71         HA   3.95         HB   4.50        1PEC 170
SHIFTS  THR   30   HG1  6.77         QG2  1.19                          1PEC 171
SHIFTS  ASP   31   H    8.85         HA   4.47        1HB   3.01        1PEC 172
SHIFTS  ASP   31  2HB   2.58                                            1PEC 173
SHIFTS  GLY   32   H    8.30        1HA   3.81        2HA   4.09        1PEC 174
SHIFTS  VAL   33   H    7.68         HA   3.80         HB   2.18        1PEC 175
SHIFTS  VAL   33   QG1  0.05         QG2  0.65                          1PEC 176
SHIFTS  THR   34   H    8.13         HA   4.76         HB   4.05        1PEC 177
SHIFTS  THR   34   QG2  1.11                                            1PEC 178
SHIFTS  TYR   35   H    9.35         HA   4.47        1HB   2.67        1PEC 179
SHIFTS  TYR   35  2HB   2.91         CG   6.90                          1PEC 180
SHIFTS  GLU   36   H    9.37         HA   3.76        1HB   2.13        1PEC 181
SHIFTS  GLU   36  2HB   2.31         QG   2.62                          1PEC 182
SHIFTS  SER   37   H    7.25         HA   4.76         QB   4.13        1PEC 183
SHIFTS  GLU   38   H    9.53         HA   3.81         QB   2.16        1PEC 184
SHIFTS  GLU   38  1HG   2.23        2HG   2.30                          1PEC 185
SHIFTS  CYS   39   H    8.30         HA   4.10        1HB   3.17        1PEC 186
SHIFTS  CYS   39  2HB   3.32                                            1PEC 187
SHIFTS  LYS   40   H    7.85         HA   4.01         QB   2.16        1PEC 188
SHIFTS  LYS   40  1HG   1.57        2HG   1.76         QD   1.82        1PEC 189
SHIFTS  LYS   40   QE   3.04                                            1PEC 190
SHIFTS  LEU   41   H    7.58         HA   3.13        1HB   0.96        1PEC 191
SHIFTS  LEU   41  2HB   1.63         HG   0.92         QD1  0.51        1PEC 192
SHIFTS  LEU   41   QD2  0.53                                            1PEC 193
SHIFTS  CYS   42   H    8.72         HA   4.06        1HB   3.55        1PEC 194
SHIFTS  CYS   42  2HB   2.96                                            1PEC 195
SHIFTS  LEU   43   H    7.96         HA   4.10        1HB   1.87        1PEC 196
SHIFTS  LEU   43  2HB   1.66         HG   1.86         QD1  0.86        1PEC 197
SHIFTS  LEU   43   QD2  0.94                                            1PEC 198
SHIFTS  ALA   44   H    7.80         HA   4.21         QB   1.60        1PEC 199
SHIFTS  ARG   45   H    8.21         HA   4.22         QB   2.09        1PEC 200
SHIFTS  ARG   45   QG   1.87        1HD   3.08        2HD   3.63        1PEC 201
SHIFTS  ARG   45   HE   7.62                                            1PEC 202
SHIFTS  ILE   46   H    7.51         HA   3.87         HB   1.99        1PEC 203
SHIFTS  ILE   46  1HG1  1.27        2HG1  1.74         QG2  0.96        1PEC 204
SHIFTS  ILE   46   QD1  0.88                                            1PEC 205
SHIFTS  GLU   47   H    8.52         HA   4.09        1HB   2.06        1PEC 206
SHIFTS  GLU   47  2HB   2.12        1HG   2.41        2HG   2.51        1PEC 207
SHIFTS  ASN   48   H    8.36         HA   4.78        1HB   2.83        1PEC 208
SHIFTS  ASN   48  2HB   2.88        1HD2  7.28        2HD2  6.97        1PEC 209
SHIFTS  LYS   49   H    7.68         HA   3.96        1HB   1.89        1PEC 210
SHIFTS  LYS   49  2HB   2.03         QG   1.39        1HD   1.68        1PEC 211
SHIFTS  LYS   49  2HD   1.70         QE   3.04                          1PEC 212
SHIFTS  GLN   50   H    7.68         HA   4.58        1HB   1.68        1PEC 213
SHIFTS  GLN   50  2HB   1.89        1HG   2.26        2HG   2.34        1PEC 214
SHIFTS  GLN   50  1HE2  7.30        2HE2  6.80                          1PEC 215
SHIFTS  ASP   51   H    8.77         HA   4.63        1HB   2.49        1PEC 216
SHIFTS  ASP   51  2HB   2.83                                            1PEC 217
SHIFTS  ILE   52   H    7.20         HA   3.74         HB   1.42        1PEC 218
SHIFTS  ILE   52  1HG1  0.89        2HG1  1.41         QG2  1.03        1PEC 219
SHIFTS  ILE   52   QD1  0.84                                            1PEC 220
SHIFTS  GLN   53   H    8.41         HA   4.75        1HB   1.56        1PEC 221
SHIFTS  GLN   53  2HB   2.28        1HG   2.14        2HG   2.29        1PEC 222
SHIFTS  GLN   53  1HE2  7.75        2HE2  6.53                          1PEC 223
SHIFTS  ILE   54   H    8.73         HA   4.39         HB   1.69        1PEC 224
SHIFTS  ILE   54  1HG1  0.69        2HG1  1.41         QG2  0.73        1PEC 225
SHIFTS  ILE   54   QD1  0.79                                            1PEC 226
SHIFTS  VAL   55   H    9.30         HA   4.03         HB   1.79        1PEC 227
SHIFTS  VAL   55   QQG  0.90                                            1PEC 228
SHIFTS  LYS   56   H    7.23         HA   4.52        1HB   1.83        1PEC 229
SHIFTS  LYS   56  2HB   2.00         QG   1.05         QD   1.63        1PEC 230
SHIFTS  LYS   56  1HE   2.97        2HE   3.01                          1PEC 231
SHIFTS  ASP   57   H    8.51         HA   4.81        1HB   2.54        1PEC 232
SHIFTS  ASP   57  2HB   2.78                                            1PEC 233
SHIFTS  GLY   58   H    8.21        1HA   3.43        2HA   4.18        1PEC 234
SHIFTS  GLU   59   H    7.82         HA   4.13        1HB   1.93        1PEC 235
SHIFTS  GLU   59  2HB   2.04         QG   2.36                          1PEC 236
SHIFTS  CYS   60   H    8.11         HA   4.24        1HB   2.59        1PEC 237
SHIFTS  CYS   60  2HB   3.08                                            1PEC 238
JCOUPL  SER    6   H    HA   7.10  2.00    HA  1HB   3.60  3.00         1PEC 239
JCOUPL  SER    6   HA  2HB   4.00  3.00                                 1PEC 240
JCOUPL  ARG    7   H    HA   9.00  2.00                                 1PEC 241
JCOUPL  MET    8   H    HA   5.30  2.00                                 1PEC 242
JCOUPL  ILE   10   H    HA   8.60  2.00    HA   HB  10.20  3.00         1PEC 243
JCOUPL  CYS   11   H    HA   8.40  2.00    HA  1HB  11.60  3.00         1PEC 244
JCOUPL  CYS   11   HA  2HB   3.60  3.00                                 1PEC 245
JCOUPL  HIS   13   HA  1HB  10.60  3.00    HA  2HB   4.50  3.00         1PEC 246
JCOUPL  MET   14   HA  1HB  11.10  3.00    HA  2HB   4.30  2.00         1PEC 247
JCOUPL  THR   15   HA   HB   3.60  3.00                                 1PEC 248
JCOUPL  GLU   16   HA  1HB  10.40  3.00    HA  2HB   3.70  3.00         1PEC 249
JCOUPL  GLU   19   H    HA   7.80  2.00                                 1PEC 250
JCOUPL  CYS   20   H    HA   7.00  2.00    HA  1HB  11.10  2.00         1PEC 251
JCOUPL  CYS   20   HA  2HB   4.40  3.00                                 1PEC 252
JCOUPL  SER   21   H    HA   4.90  2.00                                 1PEC 253
JCOUPL  ARG   22   H    HA   7.50  2.00    HA  1HB  10.80  3.00         1PEC 254
JCOUPL  ARG   22   HA  2HB   4.20  3.00                                 1PEC 255
JCOUPL  ILE   23   H    HA   7.50  2.00    HA   HB  10.20  3.00         1PEC 256
JCOUPL  TYR   24   H    HA   8.20  2.00                                 1PEC 257
JCOUPL  ASP   25   H    HA   6.40  2.00                                 1PEC 258
JCOUPL  VAL   27   H    HA   8.20  2.00    HA   HB   3.70  3.00         1PEC 259
JCOUPL  CYS   28   H    HA   8.50  2.00    HA  1HB   4.30  3.00         1PEC 260
JCOUPL  CYS   28   HA  2HB  12.00  3.00                                 1PEC 261
JCOUPL  THR   30   H    HA   3.50  2.00    HA   HB   3.10  2.00         1PEC 262
JCOUPL  ASP   31   H    HA   8.60  2.00    HA  1HB   3.40  2.00         1PEC 263
JCOUPL  ASP   31   HA  2HB   3.80  3.00                                 1PEC 264
JCOUPL  VAL   33   H    HA   8.80  2.00    HA   HB  10.70  3.00         1PEC 265
JCOUPL  THR   34   H    HA   8.20  2.00    HA   HB  11.70  3.00         1PEC 266
JCOUPL  TYR   35   H    HA   9.30  2.00    HA  1HB  11.10  2.00         1PEC 267
JCOUPL  TYR   35   HA  2HB   3.60  2.00                                 1PEC 268
JCOUPL  GLU   36   H    HA   3.80  2.00    HA  1HB  10.20  3.00         1PEC 269
JCOUPL  GLU   36   HA  2HB   4.40  3.00                                 1PEC 270
JCOUPL  SER   37   H    HA   5.20  2.00                                 1PEC 271
JCOUPL  GLU   38   H    HA   3.40  2.00                                 1PEC 272
JCOUPL  CYS   39   H    HA   4.60  2.00    HA  1HB   4.60  3.00         1PEC 273
JCOUPL  CYS   39   HA  2HB  11.50  3.00                                 1PEC 274
JCOUPL  LYS   40   H    HA   4.90  2.00                                 1PEC 275
JCOUPL  LEU   41   H    HA   4.90  2.00    HA  1HB   3.90  2.00         1PEC 276
JCOUPL  LEU   41   HA  2HB  11.50  2.00                                 1PEC 277
JCOUPL  CYS   42   H    HA   2.80  2.00    HA  1HB  11.30  3.00         1PEC 278
JCOUPL  CYS   42   HA  2HB   3.70  3.00                                 1PEC 279
JCOUPL  LEU   43   H    HA   4.40  2.00    HA  1HB  10.50  3.00         1PEC 280
JCOUPL  LEU   43   HA  2HB   4.30  3.00                                 1PEC 281
JCOUPL  ALA   44   H    HA   4.30  2.00                                 1PEC 282
JCOUPL  ARG   45   H    HA   2.90  2.00                                 1PEC 283
JCOUPL  ILE   46   H    HA   5.90  2.00    HA   HB  10.20  3.00         1PEC 284
JCOUPL  GLU   47   H    HA   4.00  2.00                                 1PEC 285
JCOUPL  ASN   48   H    HA   8.10  2.00                                 1PEC 286
JCOUPL  LYS   49   H    HA   7.20  2.00    HA  1HB  11.00  3.00         1PEC 287
JCOUPL  LYS   49   HA  2HB   4.90  3.00                                 1PEC 288
JCOUPL  GLN   50   H    HA   9.20  2.00    HA  1HB  10.70  3.00         1PEC 289
JCOUPL  GLN   50   HA  2HB   3.80  3.00                                 1PEC 290
JCOUPL  ASP   51   H    HA   6.90  2.00    HA  1HB   4.80  3.00         1PEC 291
JCOUPL  ASP   51   HA  2HB  11.00  3.00                                 1PEC 292
JCOUPL  ILE   52   H    HA   7.00  2.00    HA   HB  11.70  3.00         1PEC 293
JCOUPL  GLN   53   H    HA   9.30  2.00    HA  1HB  12.00  2.00         1PEC 294
JCOUPL  GLN   53   HA  2HB   1.80  2.00                                 1PEC 295
JCOUPL  ILE   54   H    HA   8.60  2.00    HA   HB  10.20  3.00         1PEC 296
JCOUPL  VAL   55   H    HA   8.40  2.00    HA   HB  10.20  3.00         1PEC 297
JCOUPL  LYS   56   H    HA   5.40  2.00                                 1PEC 298
JCOUPL  ASP   57   H    HA   7.00  2.00    HA  1HB  11.20  2.00         1PEC 299
JCOUPL  ASP   57   HA  2HB   4.60  2.00                                 1PEC 300
JCOUPL  GLU   59   H    HA   5.50  2.00    HA  1HB  10.50  3.00         1PEC 301
JCOUPL  GLU   59   HA  2HB   3.90  3.00                                 1PEC 302
JCOUPL  CYS   60   H    HA   3.70  2.00    HA  1HB  11.00  2.00         1PEC 303
JCOUPL  CYS   60   HA  2HB   5.20  2.00                                 1PEC 304
NOEUPP  VAL    4  H   VAL    4  HB   3.10                               1PEC 305
NOEUPP  SER    6  H   SER    6 1HB   3.80      H   SER    6 2HB   3.50  1PEC 306
NOEUPP  SER    6  HA  ARG    7  H    2.50      HA  VAL   55  HA   3.60  1PEC 307
NOEUPP  SER    6 1HB  ARG    7  H    3.20     1HB  THR   30  QG2  5.00  1PEC 308
NOEUPP  SER    6 1HB  GLN   53 1HB   3.90     1HB  GLN   53 2HB   3.60  1PEC 309
NOEUPP  SER    6 1HB  GLN   53 2HG   4.50     1HB  ILE   54  H    4.50  1PEC 310
NOEUPP  SER    6 2HB  ARG    7  H    3.70     2HB  THR   30  QG2  4.70  1PEC 311
NOEUPP  SER    6 2HB  GLN   53 1HB   4.50     2HB  GLN   53 2HB   4.40  1PEC 312
NOEUPP  SER    6 2HB  VAL   55  QQG  6.90                               1PEC 313
NOEUPP  ARG    7  H   ARG    7  QB   3.80      H   ARG    7 1HG   4.30  1PEC 314
NOEUPP  ARG    7  H   ARG    7 2HG   3.40      H   GLN   53 2HG   4.50  1PEC 315
NOEUPP  ARG    7  HA  MET    8  H    2.40      QB  ARG    7  HE   5.40  1PEC 316
NOEUPP  ARG    7  QB  MET    8  H    4.30     1HG  ARG    7  HE   4.00  1PEC 317
NOEUPP  ARG    7 2HG  ARG    7  HE   3.80     2HG  ILE   54  QG2  5.50  1PEC 318
NOEUPP  ARG    7  HE  ILE   54  QG2  5.50      HE  ILE   54  QD1  5.50  1PEC 319
NOEUPP  ARG    7  CZ  VAL   27  QG1  7.95      CZ  ILE   54  QG2  7.95  1PEC 320
NOEUPP  ARG    7  CZ  ILE   54  QD1  7.95                               1PEC 321
NOEUPP  MET    8  H   MET    8  QB   3.80      H   MET    8 1HG   3.90  1PEC 322
NOEUPP  MET    8  HA  MET    8 2HG   4.30      HA  PRO    9 1HD   3.20  1PEC 323
NOEUPP  MET    8  HA  PRO    9 2HD   2.80      HA  GLN   53 1HG   4.30  1PEC 324
NOEUPP  MET    8  QE  GLN   53 2HE2  5.50                               1PEC 325
NOEUPP  PRO    9  HA  ILE   10  H    2.50      HA  ILE   54  QD1  4.40  1PEC 326
NOEUPP  PRO    9 1HB  ILE   10  H    3.50     1HB  LEU   41  QD2  5.50  1PEC 327
NOEUPP  PRO    9 1HB  ILE   54  QD1  5.50     2HB  LEU   41  QD2  5.40  1PEC 328
NOEUPP  PRO    9 2HB  ILE   54  QD1  5.30     1HG  LEU   41  QD2  4.10  1PEC 329
NOEUPP  PRO    9 1HG  ARG   45 1HD   3.60     2HG  LEU   41  QD2  5.50  1PEC 330
NOEUPP  PRO    9 1HD  GLN   53  HA   3.40     1HD  GLN   53 2HG   4.50  1PEC 331
NOEUPP  PRO    9 2HD  ILE   54  H    4.00                               1PEC 332
NOEUPP  ILE   10  H   ILE   10  HB   2.70      H   ILE   10 1HG1  4.00  1PEC 333
NOEUPP  ILE   10  H   ILE   10 2HG1  3.60      HA  ILE   10 1HG1  3.60  1PEC 334
NOEUPP  ILE   10  HA  ILE   10 2HG1  4.10      HA  CYS   11  H    2.40  1PEC 335
NOEUPP  ILE   10  QG2 CYS   11  H    5.50                               1PEC 336
NOEUPP  CYS   11  H   CYS   11 1HB   2.90      H   CYS   11 2HB   3.60  1PEC 337
NOEUPP  CYS   11  HA  CYS   11 2HB   2.80      HA  GLU   12  H    2.90  1PEC 338
NOEUPP  CYS   11  CB  CYS   42  SG   3.10     2HB  GLU   12  H    4.00  1PEC 339
NOEUPP  CYS   11  SG  CYS   42  CB   3.10      SG  CYS   42  SG   2.10  1PEC 340
NOEUPP  GLU   12  H   GLU   12  HA   2.80      H   GLU   12  QB   3.60  1PEC 341
NOEUPP  GLU   12  H   GLU   12  QG   5.00                               1PEC 342
NOEUPP  HIS   13  H   HIS   13 1HB   3.30      H   HIS   13 2HB   3.80  1PEC 343
NOEUPP  MET   14  H   MET   14 1HB   2.90      H   MET   14 2HB   3.90  1PEC 344
NOEUPP  MET   14  H   MET   14 1HG   3.60      H   MET   14 2HG   3.60  1PEC 345
NOEUPP  MET   14  HA  MET   14 2HB   3.00      HA  MET   14 1HG   3.80  1PEC 346
NOEUPP  MET   14  HA  MET   14 2HG   4.10                               1PEC 347
NOEUPP  THR   15  H   THR   15  HB   3.40                               1PEC 348
NOEUPP  GLU   16  H   GLU   16 1HB   3.00      H   GLU   16 2HB   3.50  1PEC 349
NOEUPP  GLU   16  H   GLU   16  QG   5.20      HA  GLU   16 2HB   2.90  1PEC 350
NOEUPP  SER   17  H   SER   17  QB   3.90      H   PRO   18  QD   5.50  1PEC 351
NOEUPP  SER   17  QB  PRO   18  QD   6.50                               1PEC 352
NOEUPP  PRO   18  QD  ASP   19  H    5.50                               1PEC 353
NOEUPP  ASP   19  HA  CYS   20  H    2.80                               1PEC 354
NOEUPP  CYS   20  H   CYS   20 1HB   3.00      H   CYS   20 2HB   3.50  1PEC 355
NOEUPP  CYS   20  HA  CYS   20 2HB   2.90      HA  SER   21  H    3.40  1PEC 356
NOEUPP  CYS   20  CB  CYS   39  SG   3.10      SG  CYS   39  CB   3.10  1PEC 357
NOEUPP  CYS   20  SG  CYS   39  SG   2.10                               1PEC 358
NOEUPP  SER   21  H   SER   21  QB   3.90      HA  ARG   22  H    2.70  1PEC 359
NOEUPP  ARG   22  H   ARG   22  HA   2.80      H   ARG   22 1HB   3.20  1PEC 360
NOEUPP  ARG   22  H   ARG   22 2HB   4.10      H   ARG   22 1HG   4.00  1PEC 361
NOEUPP  ARG   22  H   ARG   22 2HG   3.80      H   ILE   23  H    3.00  1PEC 362
NOEUPP  ARG   22  HA  ARG   22 2HB   2.80      HA  ARG   22 1HG   3.40  1PEC 363
NOEUPP  ARG   22  HA  ARG   22 2HG   3.80      HA  ARG   22  QD   5.50  1PEC 364
NOEUPP  ARG   22  HA  ILE   23  H    3.00     2HB  ARG   22  HE   4.30  1PEC 365
NOEUPP  ILE   23  H   ILE   23  HB   2.80      H   ILE   23 1HG1  3.70  1PEC 366
NOEUPP  ILE   23  H   ILE   23 2HG1  3.30      HA  ILE   23 1HG1  3.40  1PEC 367
NOEUPP  ILE   23  HA  ILE   23 2HG1  3.80      HA  TYR   24  H    2.40  1PEC 368
NOEUPP  ILE   23  QG2 TYR   24  H    5.00      QG2 ASP   25  H    5.50  1PEC 369
NOEUPP  ILE   23  QG2 ASP   25 1HB   5.20      QG2 ASP   25 2HB   5.50  1PEC 370
NOEUPP  ILE   23  QG2 SER   37  QB   6.50                               1PEC 371
NOEUPP  TYR   24  H   TYR   24 1HB   3.20      H   TYR   24 2HB   3.20  1PEC 372
NOEUPP  TYR   24  HA  TYR   24 1HB   2.80      HA  ASP   25  H    2.30  1PEC 373
NOEUPP  TYR   24  CG  ASP   25  H    6.50      CG  PRO   26 2HD   6.50  1PEC 374
NOEUPP  TYR   24  CG  GLU   36 2HB   6.50      CG  GLU   36  QG   7.50  1PEC 375
NOEUPP  TYR   24  CZ  PRO   26 2HB   6.50      CZ  PRO   26 2HG   6.50  1PEC 376
NOEUPP  TYR   24  CZ  PRO   26 2HD   6.50      CZ  GLU   36  HA   6.50  1PEC 377
NOEUPP  TYR   24  CZ  GLU   36  QG   7.50                               1PEC 378
NOEUPP  ASP   25  H   ASP   25 2HB   4.00      H   PRO   26  HA   3.90  1PEC 379
NOEUPP  ASP   25  H   PRO   26  HD2  4.50      H   PRO   26 2HD   4.10  1PEC 380
NOEUPP  ASP   25  H   SER   37  QB   5.50      HA  PRO   26  HD2  3.40  1PEC 381
NOEUPP  ASP   25  HA  PRO   26 2HD   3.60     2HB  SER   37  HA   4.50  1PEC 382
NOEUPP  PRO   26  HA  VAL   27  H    2.40      HA  GLU   36  HA   3.10  1PEC 383
NOEUPP  PRO   26 1HB  VAL   27  H    3.40     1HB  GLY   58 1HA   4.30  1PEC 384
NOEUPP  PRO   26 2HB  VAL   27  H    3.60     2HB  THR   34  QG2  5.50  1PEC 385
NOEUPP  PRO   26 2HB  GLU   36  HA   4.10     1HG  GLY   58 1HA   3.80  1PEC 386
NOEUPP  PRO   26 2HG  GLU   36  HA   4.50                               1PEC 387
NOEUPP  VAL   27  H   VAL   27  QG2  4.00      H   THR   34  QG2  5.50  1PEC 388
NOEUPP  VAL   27  H   TYR   35  H    3.40      H   TYR   35 1HB   4.50  1PEC 389
NOEUPP  VAL   27  HA  VAL   27  HB   2.70      HA  CYS   28  H    2.60  1PEC 390
NOEUPP  VAL   27  HA  GLY   58  H    3.00      HA  GLY   58 1HA   3.60  1PEC 391
NOEUPP  VAL   27  HB  CYS   28  H    2.80      HB  ILE   54  QG2  3.70  1PEC 392
NOEUPP  VAL   27  HB  ILE   54  QD1  5.50      HB  ASP   57  HA   4.00  1PEC 393
NOEUPP  VAL   27  QG1 GLU   38  HA   5.50      QG1 GLU   38  QB   6.50  1PEC 394
NOEUPP  VAL   27  QG1 GLY   58  H    5.50      QG2 TYR   35  H    5.50  1PEC 395
NOEUPP  VAL   27  QG2 TYR   35 1HB   3.70      QG2 TYR   35 2HB   5.50  1PEC 396
NOEUPP  VAL   27  QG2 GLU   38  H    5.50      QG2 GLU   38  HA   4.20  1PEC 397
NOEUPP  VAL   27  QG2 GLU   38  QB   6.50      QG2 LEU   41 2HB   5.50  1PEC 398
NOEUPP  CYS   28  H   CYS   28 1HB   2.80      H   CYS   28 2HB   2.80  1PEC 399
NOEUPP  CYS   28  H   ILE   54  QG2  5.50      H   LYS   56  H    3.40  1PEC 400
NOEUPP  CYS   28  HA  GLY   29  H    2.30      HA  THR   34  HA   2.70  1PEC 401
NOEUPP  CYS   28  HA  THR   34  QG2  5.50      HA  TYR   35  H    3.50  1PEC 402
NOEUPP  CYS   28  CB  CYS   60  SG   3.10     1HB  LYS   56  H    4.50  1PEC 403
NOEUPP  CYS   28 1HB  LYS   56  QG   5.10     1HB  CYS   60  H    4.50  1PEC 404
NOEUPP  CYS   28 1HB  CYS   60  HA   3.40     2HB  VAL   55  HB   4.30  1PEC 405
NOEUPP  CYS   28 2HB  LYS   56  H    3.70     2HB  LYS   56  QG   4.60  1PEC 406
NOEUPP  CYS   28 2HB  CYS   60  HA   4.20      SG  CYS   60  CB   3.10  1PEC 407
NOEUPP  CYS   28  SG  CYS   60  SG   2.10                               1PEC 408
NOEUPP  GLY   29  H   GLY   29 2HA   2.60      H   VAL   33  H    3.90  1PEC 409
NOEUPP  GLY   29  H   THR   34  HA   4.20      H   TYR   35  CG   6.50  1PEC 410
NOEUPP  GLY   29 1HA  THR   30  H    2.60     1HA  ASP   31  H    3.90  1PEC 411
NOEUPP  GLY   29 1HA  LEU   41  QD1  5.20     1HA  ILE   52  QG2  5.50  1PEC 412
NOEUPP  GLY   29 1HA  ILE   54  HA   3.00     1HA  ILE   54 1HG1  4.50  1PEC 413
NOEUPP  GLY   29 1HA  VAL   55  H    3.50     1HA  VAL   55  QQG  6.90  1PEC 414
NOEUPP  GLY   29 2HA  THR   30  H    3.00     2HA  ASP   31  H    3.20  1PEC 415
NOEUPP  GLY   29 2HA  TYR   35  CG   6.50     2HA  LEU   41  QD1  5.50  1PEC 416
NOEUPP  GLY   29 2HA  ILE   52  QG2  5.30                               1PEC 417
NOEUPP  THR   30  H   THR   30  QG2  3.90      H   ASP   31  H    2.90  1PEC 418
NOEUPP  THR   30  H   ILE   52  QG2  4.60      H   GLN   53  H    3.00  1PEC 419
NOEUPP  THR   30  H   ILE   54  HA   4.10      H   VAL   55  QQG  6.90  1PEC 420
NOEUPP  THR   30  HA  THR   30  HB   2.80      HA  ASP   31  H    3.50  1PEC 421
NOEUPP  THR   30  HA  GLY   32  H    3.50      HA  VAL   55  QQG  6.00  1PEC 422
NOEUPP  THR   30  HB  THR   30  HG1  2.90      QG2 GLN   53  H    4.60  1PEC 423
NOEUPP  THR   30  QG2 GLN   53 1HB   4.30      QG2 GLN   53 2HB   5.10  1PEC 424
NOEUPP  THR   30  HG1 ILE   52  HA   3.80      HG1 ILE   52  QG2  5.50  1PEC 425
NOEUPP  THR   30  HG1 GLN   53  H    4.20                               1PEC 426
NOEUPP  ASP   31  H   ASP   31 1HB   3.80      H   ASP   31 2HB   3.20  1PEC 427
NOEUPP  ASP   31  H   GLY   32  H    2.70      H   VAL   33  H    3.80  1PEC 428
NOEUPP  ASP   31  H   ILE   52  QG2  4.70      H   ILE   52 1HG1  4.50  1PEC 429
NOEUPP  ASP   31  HA  ASP   31 1HB   2.60      HA  ASP   31 2HB   2.50  1PEC 430
NOEUPP  ASP   31  HA  GLY   32  H    3.60     1HB  VAL   33  QG2  5.50  1PEC 431
NOEUPP  ASP   31 2HB  ILE   52  QG2  5.50     2HB  ILE   52 1HG1  4.50  1PEC 432
NOEUPP  GLY   32  H   VAL   33  H    2.70     2HA  VAL   33  H    3.50  1PEC 433
NOEUPP  VAL   33  H   VAL   33  HA   2.90      H   VAL   33  HB   2.60  1PEC 434
NOEUPP  VAL   33  H   VAL   33  QG2  4.10      HA  THR   34  H    2.30  1PEC 435
NOEUPP  VAL   33  QG1 THR   34  H    3.90      QG1 TYR   35  CG   7.50  1PEC 436
NOEUPP  THR   34  H   THR   34  HB   2.70      HA  TYR   35  H    2.50  1PEC 437
NOEUPP  THR   34  HA  TYR   35  CG   6.50      HB  CYS   60  H    4.50  1PEC 438
NOEUPP  THR   34  QG2 TYR   35  H    4.60      QG2 GLU   59  HA   3.60  1PEC 439
NOEUPP  THR   34  QG2 GLU   59  QG   6.50                               1PEC 440
NOEUPP  TYR   35  H   TYR   35 1HB   3.10      HA  TYR   35 2HB   2.80  1PEC 441
NOEUPP  TYR   35  HA  GLU   36  H    2.40     1HB  LEU   41 1HB   4.50  1PEC 442
NOEUPP  TYR   35 2HB  GLU   36  H    3.60     2HB  SER   37  H    3.00  1PEC 443
NOEUPP  TYR   35 2HB  LYS   40  QB   5.00     2HB  LEU   41  H    4.50  1PEC 444
NOEUPP  TYR   35 2HB  LEU   41 1HB   4.00      CG  LYS   40  QB   7.20  1PEC 445
NOEUPP  TYR   35  CG  LEU   41  HA   6.50      CG  LEU   41 1HB   6.50  1PEC 446
NOEUPP  TYR   35  CG  LEU   41  HG   6.50      CG  LEU   41  QD1  7.20  1PEC 447
NOEUPP  TYR   35  CG  ALA   44  QB   7.50      CG  ILE   52  QG2  7.50  1PEC 448
NOEUPP  GLU   36  H   GLU   36 1HB   2.60      H   GLU   36 2HB   3.70  1PEC 449
NOEUPP  GLU   36  H   GLU   36  QG   5.40      H   SER   37  H    3.10  1PEC 450
NOEUPP  GLU   36  H   LYS   40  QD   5.50      HA  GLU   36 2HB   2.80  1PEC 451
NOEUPP  GLU   36  HA  SER   37  H    3.60                               1PEC 452
NOEUPP  SER   37  H   LYS   40  QB   4.90      HA  GLU   38  H    2.60  1PEC 453
NOEUPP  SER   37  QB  GLU   38  H    4.20                               1PEC 454
NOEUPP  GLU   38  H   GLU   38  QB   3.40      H   GLU   38 1HG   4.00  1PEC 455
NOEUPP  GLU   38  H   CYS   39  H    3.10      HA  GLU   38 1HG   3.70  1PEC 456
NOEUPP  GLU   38  HA  GLU   38 2HG   3.50      HA  LEU   41  H    3.30  1PEC 457
NOEUPP  GLU   38  HA  LEU   41 1HB   3.30      HA  LEU   41 2HB   2.70  1PEC 458
NOEUPP  GLU   38  HA  LEU   41  QD1  5.50      HA  LEU   41  QD2  5.50  1PEC 459
NOEUPP  GLU   38  HA  ILE   54  QD1  5.50      QB  CYS   39  H    4.50  1PEC 460
NOEUPP  GLU   38  QB  ILE   54  QD1  6.50     1HG  ILE   54  QD1  5.00  1PEC 461
NOEUPP  GLU   38 2HG  ILE   54  QD1  5.50                               1PEC 462
NOEUPP  CYS   39  H   CYS   39 1HB   2.80      H   CYS   39 2HB   2.90  1PEC 463
NOEUPP  CYS   39  H   LYS   40  H    2.90      HA  CYS   39 1HB   2.90  1PEC 464
NOEUPP  CYS   39  HA  CYS   42  H    3.80      HA  CYS   42 1HB   3.80  1PEC 465
NOEUPP  CYS   39 1HB  LYS   40  H    3.80     2HB  LYS   40  H    3.00  1PEC 466
NOEUPP  LYS   40  H   LYS   40  QB   3.60      H   LYS   40 1HG   4.20  1PEC 467
NOEUPP  LYS   40  H   LYS   40 2HG   3.40      H   LEU   41  H    2.90  1PEC 468
NOEUPP  LYS   40  HA  LYS   40 2HG   3.30      HA  LEU   43  H    3.30  1PEC 469
NOEUPP  LYS   40  HA  LEU   43 2HB   3.50      HA  LEU   43  QD2  5.10  1PEC 470
NOEUPP  LYS   40  HA  ALA   44  H    4.00      QB  LYS   40  QE   6.50  1PEC 471
NOEUPP  LYS   40  QB  LEU   41  H    4.50                               1PEC 472
NOEUPP  LEU   41  H   LEU   41 1HB   2.70      H   LEU   41 2HB   2.60  1PEC 473
NOEUPP  LEU   41  H   CYS   42  H    2.90      HA  LEU   41 1HB   2.70  1PEC 474
NOEUPP  LEU   41  HA  LEU   41  HG   2.80      HA  LEU   41  QD1  5.50  1PEC 475
NOEUPP  LEU   41  HA  LEU   41  QD2  5.50      HA  ALA   44  H    3.60  1PEC 476
NOEUPP  LEU   41  HA  ALA   44  QB   4.30     1HB  CYS   42  H    3.70  1PEC 477
NOEUPP  LEU   41 2HB  CYS   42  H    3.00      QD1 ILE   52  QG2  5.30  1PEC 478
NOEUPP  LEU   41  QD1 ILE   54  HA   5.50      QD2 CYS   42  H    5.50  1PEC 479
NOEUPP  LEU   41  QD2 CYS   42  HA   5.50      QD2 ARG   45  QB   6.50  1PEC 480
NOEUPP  LEU   41  QD2 ARG   45 1HD   5.40      QD2 ARG   45 2HD   4.60  1PEC 481
NOEUPP  LEU   41  QD2 ILE   52  QG2  5.60      QD2 GLN   53  HA   5.50  1PEC 482
NOEUPP  LEU   41  QD2 ILE   54  QD1  5.50                               1PEC 483
NOEUPP  CYS   42  H   CYS   42 1HB   2.70      H   CYS   42 2HB   3.80  1PEC 484
NOEUPP  CYS   42  H   LEU   43  H    3.10      HA  CYS   42 2HB   2.80  1PEC 485
NOEUPP  CYS   42  HA  ARG   45  H    3.50      HA  ARG   45 1HD   3.20  1PEC 486
NOEUPP  CYS   42 1HB  LEU   43  H    3.10                               1PEC 487
NOEUPP  LEU   43  H   LEU   43 1HB   3.20      H   LEU   43 2HB   3.50  1PEC 488
NOEUPP  LEU   43  H   LEU   43  HG   2.60      H   LEU   43  QD1  5.50  1PEC 489
NOEUPP  LEU   43  H   LEU   43  QD2  5.50      H   ALA   44  H    3.00  1PEC 490
NOEUPP  LEU   43  HA  LEU   43 2HB   2.90      HA  ILE   46  H    3.60  1PEC 491
NOEUPP  LEU   43 1HB  ALA   44  H    3.40     2HB  ALA   44  H    3.70  1PEC 492
NOEUPP  ALA   44  H   ALA   44  HA   2.90      H   ARG   45  H    2.80  1PEC 493
NOEUPP  ALA   44  HA  GLU   47  H    3.30      HA  GLU   47  QB   4.10  1PEC 494
NOEUPP  ALA   44  HA  ASN   48  H    3.70      HA  ASN   48 1HD2  4.50  1PEC 495
NOEUPP  ALA   44  QB  ASN   48 1HD2  5.50      QB  ASN   48 2HD2  5.50  1PEC 496
NOEUPP  ARG   45  H   ARG   45  HA   2.80      H   ARG   45  QG   4.70  1PEC 497
NOEUPP  ARG   45  H   ILE   46  H    3.00      H   ILE   52  QD1  5.50  1PEC 498
NOEUPP  ARG   45  HA  ARG   45  QG   3.80      HA  ILE   46  H    3.60  1PEC 499
NOEUPP  ARG   45  HA  GLN   50  H    3.00      HA  ILE   52  HB   4.50  1PEC 500
NOEUPP  ARG   45  HA  ILE   52 2HG1  4.50      HA  ILE   52  QD1  5.00  1PEC 501
NOEUPP  ARG   45  QB  ARG   45  HE   4.50      QB  ILE   46  H    4.20  1PEC 502
NOEUPP  ARG   45  QG  ASP   51  HA   5.50      QG  ILE   52  H    4.40  1PEC 503
NOEUPP  ARG   45 2HD  ILE   52  H    4.50                               1PEC 504
NOEUPP  ILE   46  H   ILE   46  HB   2.60      H   ILE   46 1HG1  3.60  1PEC 505
NOEUPP  ILE   46  H   ILE   46 2HG1  3.00      H   GLU   47  H    2.80  1PEC 506
NOEUPP  ILE   46  HA  ILE   46 1HG1  3.10      HA  ILE   46 2HG1  3.50  1PEC 507
NOEUPP  ILE   46  HA  LYS   49  H    3.40      HB  GLU   47  H    3.00  1PEC 508
NOEUPP  ILE   46  QG2 GLU   47  H    5.50                               1PEC 509
NOEUPP  GLU   47  H   GLU   47  QB   3.80      H   GLU   47 1HG   4.50  1PEC 510
NOEUPP  GLU   47  H   GLU   47 2HG   4.30      H   ASN   48  H    2.80  1PEC 511
NOEUPP  GLU   47  HA  GLU   47 1HG   3.40      HA  GLU   47 2HG   3.90  1PEC 512
NOEUPP  ASN   48  H   ASN   48 1HB   2.80      H   ASN   48 2HB   3.70  1PEC 513
NOEUPP  ASN   48  H   ASN   48 1HD2  4.10      H   LYS   49  H    2.60  1PEC 514
NOEUPP  ASN   48  HA  ASN   48 2HB   2.70      HA  ASN   48 1HD2  4.50  1PEC 515
NOEUPP  ASN   48  HA  LYS   49  H    3.40     1HB  ASN   48 1HD2  3.40  1PEC 516
NOEUPP  ASN   48 1HB  GLN   50  H    3.90     1HD2 ILE   52  QD1  5.50  1PEC 517
NOEUPP  LYS   49  H   LYS   49 1HB   3.80      H   LYS   49  QG   4.60  1PEC 518
NOEUPP  LYS   49  HA  LYS   49 2HB   2.70                               1PEC 519
NOEUPP  GLN   50  HA  GLN   50 2HB   2.60      HA  GLN   50 1HG   3.80  1PEC 520
NOEUPP  GLN   50  HA  ASP   51  H    2.40     2HB  ASP   51  H    3.10  1PEC 521
NOEUPP  ASP   51  H   ASP   51 1HB   2.90      H   ASP   51 2HB   2.80  1PEC 522
NOEUPP  ASP   51  HA  ASP   51 1HB   2.60      HA  ILE   52  H    2.60  1PEC 523
NOEUPP  ASP   51  HA  ILE   52 2HG1  4.50                               1PEC 524
NOEUPP  ILE   52  H   ILE   52  HB   2.80      H   ILE   52 1HG1  3.70  1PEC 525
NOEUPP  ILE   52  H   ILE   52 2HG1  2.80      H   ILE   52  QD1  5.50  1PEC 526
NOEUPP  ILE   52  HA  ILE   52 1HG1  3.80      HA  GLN   53  H    2.40  1PEC 527
NOEUPP  ILE   52  QG2 GLN   53  H    4.20                               1PEC 528
NOEUPP  GLN   53  H   GLN   53 1HB   3.10      HA  GLN   53 1HG   3.10  1PEC 529
NOEUPP  GLN   53 1HB  ILE   54  H    4.10     1HG  ILE   54  H    4.50  1PEC 530
NOEUPP  ILE   54  H   ILE   54  HB   2.60      H   ILE   54 1HG1  4.10  1PEC 531
NOEUPP  ILE   54  H   ILE   54 2HG1  3.10      H   ILE   54  QD1  5.50  1PEC 532
NOEUPP  ILE   54  HA  ILE   54 1HG1  3.00      HA  ILE   54 2HG1  3.30  1PEC 533
NOEUPP  ILE   54  HA  VAL   55  H    2.40      HA  LYS   56  H    3.70  1PEC 534
NOEUPP  ILE   54  QG2 ILE   54 2HG1  3.80      QG2 ILE   54  QD1  4.30  1PEC 535
NOEUPP  ILE   54  QG2 VAL   55  H    4.50      QG2 LYS   56  H    3.90  1PEC 536
NOEUPP  ILE   54  QG2 LYS   56  HA   5.50      QG2 ASP   57  HA   5.50  1PEC 537
NOEUPP  VAL   55  H   VAL   55  HB   2.80      H   LYS   56  H    2.60  1PEC 538
NOEUPP  VAL   55  HB  LYS   56  H    3.20      QQG LYS   56  H    6.90  1PEC 539
NOEUPP  LYS   56  H   LYS   56  QG   4.80      HA  ASP   57  H    2.40  1PEC 540
NOEUPP  LYS   56 1HB  ASP   57  H    2.80      QG  ASP   57  H    5.50  1PEC 541
NOEUPP  LYS   56  QD  CYS   60  HA   5.50     1HE  CYS   60  HA   4.10  1PEC 542
NOEUPP  LYS   56 2HE  CYS   60  HA   3.80                               1PEC 543
NOEUPP  ASP   57  H   ASP   57 1HB   2.80      H   ASP   57 2HB   3.60  1PEC 544
NOEUPP  ASP   57  HA  ASP   57 2HB   2.80      HA  GLY   58  H    2.50  1PEC 545
NOEUPP  ASP   57 2HB  GLY   58  H    3.60                               1PEC 546
NOEUPP  GLY   58  H   GLY   58 1HA   2.70     1HA  GLU   59  H    2.80  1PEC 547
NOEUPP  GLY   58 2HA  GLU   59  H    3.10                               1PEC 548
NOEUPP  GLU   59  H   GLU   59 1HB   2.80      H   GLU   59 2HB   3.60  1PEC 549
NOEUPP  GLU   59  H   GLU   59  QG   4.50      HA  GLU   59 2HB   2.90  1PEC 550
NOEUPP  GLU   59  HA  CYS   60  H    2.40     1HB  CYS   60  H    3.80  1PEC 551
NOEUPP  GLU   59 2HB  CYS   60  H    4.10                               1PEC 552
NOEUPP  CYS   60  H   CYS   60 1HB   3.00      H   CYS   60 2HB   3.60  1PEC 553
NOEUPP  CYS   60  HA  CYS   60 2HB   2.70                               1PEC 554
NOELOW  PHE    5  HZ  LYS   56  HA   3.00      HZ  LYS   56 1HB   3.00  1PEC 555
NOELOW  PHE    5  HZ  LYS   56 2HB   3.00                               1PEC 556
NOELOW  SER    6 1HB  GLN   53 1HE2  3.00     1HB  GLN   53 2HE2  3.00  1PEC 557
NOELOW  SER    6 2HB  GLN   53 1HE2  3.00     2HB  GLN   53 2HE2  3.00  1PEC 558
NOELOW  ARG    7  H   ARG    7  QD   3.00      H   ARG    7  HE   3.00  1PEC 559
NOELOW  ARG    7  H   GLN   53 2HE2  3.00      HA  GLN   53 1HE2  3.00  1PEC 560
NOELOW  ARG    7  HA  GLN   53 2HE2  3.00      HE  MET    8  H    3.00  1PEC 561
NOELOW  ARG    7  HE  LYS   56  HA   3.00      QH1 PRO    9 2HB   3.00  1PEC 562
NOELOW  ARG    7  QH1 LYS   56  HA   3.00      QH1 ASP   57  H    3.00  1PEC 563
NOELOW  ARG    7  QH1 ASP   57  HA   3.00      QH2 PRO    9 2HB   3.00  1PEC 564
NOELOW  ARG    7  QH2 LYS   56  HA   3.00      QH2 ASP   57  H    3.00  1PEC 565
NOELOW  ARG    7  QH2 ASP   57  HA   3.00                               1PEC 566
NOELOW  MET    8  H   GLN   53 1HE2  3.00      H   GLN   53 2HE2  3.00  1PEC 567
NOELOW  MET    8  HA  GLN   53 1HE2  3.00      HA  GLN   53 2HE2  3.00  1PEC 568
NOELOW  MET    8  QB  GLN   53 2HE2  3.00      QG  GLN   53 1HE2  3.00  1PEC 569
NOELOW  MET    8  QG  GLN   53 2HE2  3.00                               1PEC 570
NOELOW  PRO    9 1HB  CYS   42 1HB   3.00      QD  GLN   53 2HE2  3.00  1PEC 571
NOELOW  ILE   10  H   GLU   38  QB   3.00      HA  GLU   16  QG   3.00  1PEC 572
NOELOW  ILE   10  QG2 HIS   13  HE1  3.00      QG2 GLU   16  QG   3.00  1PEC 573
NOELOW  CYS   11  H   MET   14  QB   3.00      H   GLU   16  QG   3.00  1PEC 574
NOELOW  CYS   11  HA  HIS   13  HE1  3.00      HA  PRO   18  QB   3.00  1PEC 575
NOELOW  CYS   11  CB  CYS   42  SG   3.00     1HB  THR   15  QG2  3.00  1PEC 576
NOELOW  CYS   11 1HB  ARG   45  HE   3.00     2HB  HIS   13  H    3.00  1PEC 577
NOELOW  CYS   11 2HB  THR   15  QG2  3.00     2HB  ARG   45  HE   3.00  1PEC 578
NOELOW  CYS   11  SG  CYS   42  CB   3.00                               1PEC 579
NOELOW  GLU   12  H   PRO   18 2HB   3.00      H   CYS   42 1HB   3.00  1PEC 580
NOELOW  GLU   12  H   CYS   42 2HB   3.00      QB  PRO   18  HA   3.00  1PEC 581
NOELOW  HIS   13  H   THR   15  H    3.00      QB  MET   14  QG   3.00  1PEC 582
NOELOW  HIS   13  QB  MET   14  QE   3.00      QB  THR   15  H    3.00  1PEC 583
NOELOW  HIS   13  QB  GLU   16  H    3.00      QB  SER   17  QB   3.00  1PEC 584
NOELOW  HIS   13  QB  PRO   18  HA   3.00      QB  PRO   18  QG   3.00  1PEC 585
NOELOW  HIS   13  QB  PRO   18  QD   3.00      QB  ILE   46  QD1  3.00  1PEC 586
NOELOW  HIS   13  HD1 MET   14  H    3.00      HD1 MET   14  QG   3.00  1PEC 587
NOELOW  HIS   13  HD1 GLU   16  H    3.00      HD1 PRO   18 2HB   3.00  1PEC 588
NOELOW  HIS   13  HE1 GLU   16  H    3.00      HE1 GLU   16  QB   3.00  1PEC 589
NOELOW  HIS   13  HE1 PRO   18 1HB   3.00      HE1 CYS   42 2HB   3.00  1PEC 590
NOELOW  MET   14  H   SER   17  QB   3.00      QB  SER   17  QB   3.00  1PEC 591
NOELOW  MET   14  QB  PRO   18  HA   3.00      QG  ASP   19  H    3.00  1PEC 592
NOELOW  MET   14  QG  CYS   20 2HB   3.00      QE  CYS   20 1HB   3.00  1PEC 593
NOELOW  THR   15  HA  LEU   43  QD2  3.00                               1PEC 594
NOELOW  GLU   16  HA  CYS   20 1HB   3.00      QG  CYS   42 2HB   3.00  1PEC 595
NOELOW  SER   17  H   CYS   20 1HB   3.00      H   CYS   20 2HB   3.00  1PEC 596
NOELOW  PRO   18  HA  LEU   43  QD1  3.00      QG  CYS   42 2HB   3.00  1PEC 597
NOELOW  ASP   19  H   ILE   23  QD1  3.00      QB  SER   21  QB   3.00  1PEC 598
NOELOW  CYS   20  HA  ILE   23  HB   3.00      CB  CYS   39  SG   3.00  1PEC 599
NOELOW  CYS   20 1HB  ARG   22  H    3.00     1HB  ILE   23  HB   3.00  1PEC 600
NOELOW  CYS   20 1HB  ILE   23 2HG1  3.00     2HB  ILE   23 2HG1  3.00  1PEC 601
NOELOW  CYS   20  SG  CYS   39  CB   3.00                               1PEC 602
NOELOW  SER   21  H   ILE   23 1HG1  3.00      H   ILE   23 2HG1  3.00  1PEC 603
NOELOW  SER   21  HA  ARG   22  HE   3.00      HA  ILE   23  QD1  3.00  1PEC 604
NOELOW  SER   21  QB  ILE   23 1HG1  3.00      QB  ILE   23 2HG1  3.00  1PEC 605
NOELOW  ARG   22  H   ILE   23 2HG1  3.00      HA  ARG   22  HE   3.00  1PEC 606
NOELOW  ILE   23 1HG1 CYS   39 1HB   3.00                               1PEC 607
NOELOW  CYS   28  CB  CYS   60  SG   3.00     2HB  LYS   56  QD   3.00  1PEC 608
NOELOW  CYS   28  SG  CYS   60  CB   3.00                               1PEC 609
NOELOW  THR   30  HG1 ASP   31  H    3.00      HG1 ILE   52  QD1  3.00  1PEC 610
NOELOW  THR   30  HG1 GLN   53  QB   3.00                               1PEC 611
NOELOW  ASP   31 1HB  VAL   33  HB   3.00                               1PEC 612
NOELOW  TYR   35  HA  LYS   40  QD   3.00     2HB  LYS   40  QD   3.00  1PEC 613
NOELOW  SER   37  QB  LYS   40  QE   3.00                               1PEC 614
NOELOW  GLU   38  QG  CYS   39  H    3.00                               1PEC 615
NOELOW  LYS   40  H   LYS   40  QE   3.00                               1PEC 616
NOELOW  ARG   45  HA  ASN   48 1HB   3.00      HA  ASN   48 2HB   3.00  1PEC 617
NOELOW  ARG   45  QG  ILE   46 1HG1  3.00      QD  ILE   46 1HG1  3.00  1PEC 618
NOELOW  ARG   45  QD  ASP   51  HA   3.00      QD  ILE   52  QD1  3.00  1PEC 619
NOELOW  ARG   45  HE  ASP   51  HA   3.00      HE  ILE   52  HB   3.00  1PEC 620
NOELOW  GLU   47  HA  LYS   49  QD   3.00                               1PEC 621
NOELOW  ASN   48 2HB  GLN   50 1HB   3.00     2HB  GLN   50 2HE2  3.00  1PEC 622
NOELOW  GLN   50  HA  GLN   50 1HE2  3.00      HA  GLN   50 2HE2  3.00  1PEC 623
NOELOW  GLN   50 2HB  GLN   50 1HE2  3.00                               1PEC 624
NOELOW  GLN   53  HA  GLN   53 1HE2  3.00     1HE2 ILE   54  H    3.00  1PEC 625
NOELOW  VAL   55  HB  LYS   56  QE   3.00                               1PEC 626
NOELOW  LYS   56 1HB  LYS   56  QE   3.00     2HB  LYS   56  QE   3.00  1PEC 627
ANGLE   VAL    4 PHI   -185.00   75.00        PSI   -105.00  225.00     1PEC 628
ANGLE   VAL    4 CHI1    -5.00  245.00                                  1PEC 629
ANGLE   SER    6 PHI   -155.00  -65.00        PSI    145.00  175.00     1PEC 630
ANGLE   SER    6 CHI1    35.00   65.00                                  1PEC 631
ANGLE   ARG    7 PHI   -155.00  -85.00        PSI     65.00  165.00     1PEC 632
ANGLE   MET    8 PHI    -85.00  -55.00        PSI   -105.00  225.00     1PEC 633
ANGLE   ILE   10 PHI   -155.00  -75.00        PSI     65.00  165.00     1PEC 634
ANGLE   ILE   10 CHI1  -105.00  -35.00                                  1PEC 635
ANGLE   CYS   11 PHI   -165.00  -75.00        PSI     85.00  205.00     1PEC 636
ANGLE   CYS   11 CHI1  -105.00  -35.00                                  1PEC 637
ANGLE   GLU   12 PHI     35.00  325.00        PSI   -105.00  225.00     1PEC 638
ANGLE   HIS   13 PHI    155.00  325.00        PSI   -105.00  225.00     1PEC 639
ANGLE   HIS   13 CHI1  -205.00   25.00                                  1PEC 640
ANGLE   MET   14 PHI   -175.00  -35.00        PSI   -105.00  225.00     1PEC 641
ANGLE   MET   14 CHI1  -205.00   25.00                                  1PEC 642
ANGLE   THR   15 PHI     35.00  325.00        PSI   -105.00  225.00     1PEC 643
ANGLE   THR   15 CHI1    -5.00  245.00                                  1PEC 644
ANGLE   GLU   16 PHI   -175.00  -35.00        PSI   -105.00  225.00     1PEC 645
ANGLE   GLU   16 CHI1  -205.00   35.00                                  1PEC 646
ANGLE   SER   17 PHI     35.00  325.00        PSI   -105.00  225.00     1PEC 647
ANGLE   ASP   19 PHI   -165.00  -75.00        PSI     35.00  195.00     1PEC 648
ANGLE   CYS   20 PHI   -105.00  -65.00        PSI    -25.00  225.00     1PEC 649
ANGLE   CYS   20 CHI1   -95.00  -35.00                                  1PEC 650
ANGLE   SER   21 PHI    -85.00  205.00        PSI     45.00  185.00     1PEC 651
ANGLE   LYS   22 PHI   -165.00   65.00        PSI     15.00   75.00     1PEC 652
ANGLE   LYS   22 CHI1  -105.00  -35.00                                  1PEC 653
ANGLE   ILE   23 PHI   -115.00  -75.00        PSI     65.00  165.00     1PEC 654
ANGLE   ILE   23 CHI1  -105.00  -25.00                                  1PEC 655
ANGLE   TYR   24 PHI   -165.00  -75.00        PSI     75.00  155.00     1PEC 656
ANGLE   TYR   24 CHI1   125.00  245.00                                  1PEC 657
ANGLE   ASP   25 PHI   -175.00 -145.00        PSI   -105.00  225.00     1PEC 658
ANGLE   ASP   25 CHI1  -210.00 -150.00                                  1PEC 659
ANGLE   VAL   27 PHI   -165.00  -75.00        PSI    145.00  185.00     1PEC 660
ANGLE   VAL   27 CHI1  -105.00  -35.00                                  1PEC 661
ANGLE   CYS   28 PHI   -125.00  -75.00        PSI     75.00  155.00     1PEC 662
ANGLE   CYS   28 CHI1   155.00  215.00                                  1PEC 663
ANGLE   THR   30 PHI    -75.00  -35.00        PSI    -45.00   85.00     1PEC 664
ANGLE   THR   30 CHI1    -5.00   75.00                                  1PEC 665
ANGLE   ASP   31 PHI   -145.00  -75.00        PSI    -85.00   55.00     1PEC 666
ANGLE   ASP   31 CHI1    35.00   75.00                                  1PEC 667
ANGLE   VAL   33 PHI   -145.00  -85.00        PSI     75.00  155.00     1PEC 668
ANGLE   VAL   33 CHI1   135.00  205.00                                  1PEC 669
ANGLE   THR   34 PHI   -155.00  -75.00        PSI     55.00  175.00     1PEC 670
ANGLE   THR   34 CHI1   -95.00  -35.00                                  1PEC 671
ANGLE   TYR   35 PHI   -155.00  -85.00        PSI    115.00  165.00     1PEC 672
ANGLE   TYR   35 CHI1   -95.00  -45.00                                  1PEC 673
ANGLE   GLU   36 PHI    -75.00  -35.00        PSI    -85.00   -5.00     1PEC 674
ANGLE   GLU   36 CHI1   155.00  315.00                                  1PEC 675
ANGLE   SER   37 PHI   -185.00 -155.00        PSI     55.00  185.00     1PEC 676
ANGLE   GLU   38 PHI    -65.00  -35.00        PSI    -85.00   95.00     1PEC 677
ANGLE   CYS   39 PHI    -75.00  -45.00        PSI    -75.00  -25.00     1PEC 678
ANGLE   CYS   39 CHI1   145.00  225.00                                  1PEC 679
ANGLE   LYS   40 PHI    -85.00  -45.00        PSI    -85.00   85.00     1PEC 680
ANGLE   LEU   41 PHI    -85.00  -45.00        PSI    -85.00  -45.00     1PEC 681
ANGLE   LEU   41 CHI1   165.00  195.00                                  1PEC 682
ANGLE   CYS   42 PHI    -65.00  -35.00        PSI    -85.00  -15.00     1PEC 683
ANGLE   CYS   42 CHI1  -105.00  -35.00                                  1PEC 684
ANGLE   LEU   43 PHI    -75.00  -45.00        PSI    -85.00  -15.00     1PEC 685
ANGLE   LEU   43 CHI1  -105.00  -25.00                                  1PEC 686
ANGLE   ARG   45 PHI    -65.00  -35.00        PSI    -85.00  -15.00     1PEC 687
ANGLE   ILE   46 PHI    -85.00  -55.00        PSI    -75.00  -25.00     1PEC 688
ANGLE   ILE   46 CHI1  -105.00  -35.00                                  1PEC 689
ANGLE   GLU   47 PHI    -75.00  -45.00        PSI    -85.00   85.00     1PEC 690
ANGLE   ASN   48 PHI   -165.00  -75.00        PSI    -25.00   55.00     1PEC 691
ANGLE   ASN   48 CHI1  -105.00  -25.00                                  1PEC 692
ANGLE   LYS   49 PHI     35.00   95.00        PSI   -105.00  225.00     1PEC 693
ANGLE   LYS   49 CHI1   155.00  325.00                                  1PEC 694
ANGLE   GLN   50 PHI   -155.00  -85.00        PSI    135.00  165.00     1PEC 695
ANGLE   GLN   50 CHI1   -85.00  -35.00                                  1PEC 696
ANGLE   ASP   51 PHI   -105.00  -65.00        PSI     55.00  185.00     1PEC 697
ANGLE   ASP   51 CHI1   155.00  185.00                                  1PEC 698
ANGLE   ILE   52 PHI   -105.00  -65.00        PSI     65.00  165.00     1PEC 699
ANGLE   ILE   52 CHI1   -95.00  -25.00                                  1PEC 700
ANGLE   GLN   53 PHI   -155.00  -85.00        PSI    115.00  225.00     1PEC 701
ANGLE   GLN   53 CHI1  -185.00  -55.00                                  1PEC 702
ANGLE   ILE   54 PHI   -145.00  -75.00        PSI     65.00  165.00     1PEC 703
ANGLE   ILE   54 CHI1  -185.00  -35.00                                  1PEC 704
ANGLE   VAL   55 PHI   -165.00  -75.00        PSI    -85.00  -15.00     1PEC 705
ANGLE   VAL   55 CHI1   135.00  215.00                                  1PEC 706
ANGLE   LYS   56 PHI   -185.00 -155.00        PSI    145.00  165.00     1PEC 707
ANGLE   LYS   56 CHI1     5.00  105.00                                  1PEC 708
ANGLE   ASP   57 PHI   -105.00  -65.00        PSI    115.00  175.00     1PEC 709
ANGLE   ASP   57 CHI1   -65.00  -35.00                                  1PEC 710
ANGLE   GLU   59 PHI    -85.00  -55.00        PSI    135.00  165.00     1PEC 711
ANGLE   GLU   59 CHI1   -75.00  -35.00                                  1PEC 712
MASTER       93    0  132   66  250   73   85                           1PEC 713
END                                                                     1PEC 714

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    GLU   1          2HN       GLU   1  12.028  -5.965  -5.965
    2   2H    GLU   1          3HN       GLU   1  12.190  -7.577  -7.577
    3   3H    GLU   1          1HN       GLU   1  13.473  -6.691  -6.691
    4    HA   GLU   1           HA       GLU   1  13.688  -5.636  -5.636
    5   1HB   GLU   1          1HB       GLU   1  13.244  -8.641  -8.641
    6   2HB   GLU   1          2HB       GLU   1  14.001  -7.618  -7.618
    7   1HG   GLU   1          1HG       GLU   1  15.185  -7.688  -7.688
    8   2HG   GLU   1          2HG       GLU   1  15.533  -8.936  -8.936
    9    H    LYS   2           H        LYS   2  10.684  -7.578  -7.578
   10    HA   LYS   2           HA       LYS   2   8.897  -7.683  -7.683
   11   1HB   LYS   2          1HB       LYS   2   7.891  -5.477  -5.477
   12   2HB   LYS   2          2HB       LYS   2   8.086  -5.781  -5.781
   13   1HG   LYS   2          1HG       LYS   2   9.833  -4.221  -4.221
   14   2HG   LYS   2          2HG       LYS   2  10.104  -4.038  -4.038
   15   1HD   LYS   2          1HD       LYS   2   8.041  -2.941  -2.941
   16   2HD   LYS   2          2HD       LYS   2   7.483  -3.283  -3.283
   17   1HE   LYS   2          1HE       LYS   2   8.988  -1.748  -1.748
   18   2HE   LYS   2          2HE       LYS   2  10.001  -1.647  -1.647
   19   1HZ   LYS   2          3HZ       LYS   2   7.223  -0.630  -0.630
   20   2HZ   LYS   2          1HZ       LYS   2   8.415   0.264   0.264
   21   3HZ   LYS   2          2HZ       LYS   2   8.532  -0.288  -0.288
   22    H    GLN   3           H        GLN   3   9.436  -5.055  -5.055
   23    HA   GLN   3           HA       GLN   3   9.894  -4.856  -4.856
   24   1HB   GLN   3          1HB       GLN   3  11.947  -4.322  -4.322
   25   2HB   GLN   3          2HB       GLN   3  12.457  -6.017  -6.017
   26   1HG   GLN   3          1HG       GLN   3  13.568  -4.578  -4.578
   27   2HG   GLN   3          2HG       GLN   3  12.934  -6.130  -6.130
   28   1HE2  GLN   3          2HE2      GLN   3  11.081  -2.704  -2.704
   29   2HE2  GLN   3          1HE2      GLN   3  12.179  -2.624  -2.624
   30    H    VAL   4           H        VAL   4  11.824  -7.858  -7.858
   31    HA   VAL   4           HA       VAL   4  10.997  -8.563  -8.563
   32    HB   VAL   4           HB       VAL   4  12.194 -10.425 -10.425
   33   1HG1  VAL   4          3HG1      VAL   4  12.217 -10.374 -10.374
   34   2HG1  VAL   4          1HG1      VAL   4  13.100 -11.538 -11.538
   35   3HG1  VAL   4          2HG1      VAL   4  11.334 -11.522 -11.522
   36   1HG2  VAL   4          1HG2      VAL   4  13.562  -8.511  -8.511
   37   2HG2  VAL   4          2HG2      VAL   4  13.626  -8.409  -8.409
   38   3HG2  VAL   4          3HG2      VAL   4  14.384  -9.755  -9.755
   39    H    PHE   5           H        PHE   5   9.878  -9.524  -9.524
   40    HA   PHE   5           HA       PHE   5   7.954 -11.441 -11.441
   41   1HB   PHE   5          1HB       PHE   5   8.259 -10.331 -10.331
   42   2HB   PHE   5          2HB       PHE   5   7.299 -11.722 -11.722
   43    HD1  PHE   5           HD1      PHE   5   8.543 -13.648 -13.648
   44    HD2  PHE   5           HD2      PHE   5  10.592 -10.612 -10.612
   45    HE1  PHE   5           HE1      PHE   5  10.607 -15.011 -15.011
   46    HE2  PHE   5           HE2      PHE   5  12.678 -11.949 -11.949
   47    HZ   PHE   5           HZ       PHE   5  12.684 -14.156 -14.156
   48    H    SER   6           H        SER   6   7.319  -9.368  -9.368
   49    HA   SER   6           HA       SER   6   5.050  -7.888  -7.888
   50   1HB   SER   6          1HB       SER   6   5.470  -6.310  -6.310
   51   2HB   SER   6          2HB       SER   6   6.720  -6.355  -6.355
   52    HG   SER   6           HG       SER   6   8.005  -7.545  -7.545
   53    H    ARG   7           H        ARG   7   3.524  -7.191  -7.191
   54    HA   ARG   7           HA       ARG   7   2.929  -9.560  -9.560
   55   1HB   ARG   7          1HB       ARG   7   0.785  -7.568  -7.568
   56   2HB   ARG   7          2HB       ARG   7   0.706  -9.253  -9.253
   57   1HG   ARG   7          1HG       ARG   7   1.478  -9.904  -9.904
   58   2HG   ARG   7          2HG       ARG   7   1.508  -8.196  -8.196
   59   1HD   ARG   7          1HD       ARG   7  -0.494  -8.941  -8.941
   60   2HD   ARG   7          2HD       ARG   7  -0.951  -8.042  -8.042
   61    HE   ARG   7           HE       ARG   7  -1.315 -10.096 -10.096
   62   1HH1  ARG   7          2HH2      ARG   7  -1.433 -10.353 -10.353
   63   2HH1  ARG   7          1HH2      ARG   7  -2.053 -11.966 -11.966
   64   1HH2  ARG   7          2HH1      ARG   7  -2.398 -11.977 -11.977
   65   2HH2  ARG   7          1HH1      ARG   7  -2.763 -12.901 -12.901
   66    H    MET   8           H        MET   8   3.304  -8.991  -8.991
   67    HA   MET   8           HA       MET   8   4.051  -6.239  -6.239
   68   1HB   MET   8          1HB       MET   8   5.344  -7.721  -7.721
   69   2HB   MET   8          2HB       MET   8   4.007  -8.818  -8.818
   70   1HG   MET   8          1HG       MET   8   3.138  -7.540  -7.540
   71   2HG   MET   8          2HG       MET   8   3.852  -6.005  -6.005
   72   1HE   MET   8          2HE       MET   8   6.830  -6.353  -6.353
   73   2HE   MET   8          3HE       MET   8   7.442  -5.998  -5.998
   74   3HE   MET   8          1HE       MET   8   6.115  -5.029  -5.029
   75    HA   PRO   9           HA       PRO   9  -0.357  -5.515  -5.515
   76   1HB   PRO   9          1HB       PRO   9  -0.368  -2.887  -2.887
   77   2HB   PRO   9          2HB       PRO   9   0.081  -3.467  -3.467
   78   1HG   PRO   9          1HG       PRO   9   2.031  -2.803  -2.803
   79   2HG   PRO   9          2HG       PRO   9   2.065  -2.176  -2.176
   80   1HD   PRO   9          1HD       PRO   9   3.540  -4.289  -4.289
   81   2HD   PRO   9          2HD       PRO   9   2.715  -4.265  -4.265
   82    H    ILE  10           H        ILE  10  -1.657  -5.781  -5.781
   83    HA   ILE  10           HA       ILE  10  -0.311  -6.258  -6.258
   84    HB   ILE  10           HB       ILE  10  -3.217  -6.337  -6.337
   85   1HG1  ILE  10          1HG1      ILE  10  -1.758  -8.063  -8.063
   86   2HG1  ILE  10          2HG1      ILE  10  -2.994  -8.719  -8.719
   87   1HG2  ILE  10          1HG2      ILE  10  -2.006  -7.116  -7.116
   88   2HG2  ILE  10          2HG2      ILE  10  -3.613  -7.613  -7.613
   89   3HG2  ILE  10          3HG2      ILE  10  -3.253  -5.899  -5.899
   90   1HD1  ILE  10          1HD1      ILE  10  -1.297  -9.099  -9.099
   91   2HD1  ILE  10          2HD1      ILE  10  -0.037  -8.422  -8.422
   92   3HD1  ILE  10          3HD1      ILE  10  -0.869  -9.908  -9.908
   93    H    CYS  11           H        CYS  11  -0.011  -4.906  -4.906
   94    HA   CYS  11           HA       CYS  11  -1.159  -2.124  -2.124
   95   1HB   CYS  11          1HB       CYS  11   1.666  -3.141  -3.141
   96   2HB   CYS  11          2HB       CYS  11   1.253  -1.707  -1.707
   97    H    GLU  12           H        GLU  12  -2.668  -2.604  -2.604
   98    HA   GLU  12           HA       GLU  12  -1.662  -1.796  -1.796
   99   1HB   GLU  12          1HB       GLU  12  -2.447  -3.614  -3.614
  100   2HB   GLU  12          2HB       GLU  12  -1.150  -4.186  -4.186
  101   1HG   GLU  12          1HG       GLU  12  -2.770  -5.294  -5.294
  102   2HG   GLU  12          2HG       GLU  12  -4.123  -4.702  -4.702
  103    H    HIS  13           H        HIS  13  -3.802  -2.162  -2.162
  104    HA   HIS  13           HA       HIS  13  -6.321  -1.914  -1.914
  105   1HB   HIS  13          1HB       HIS  13  -5.742   0.362   0.362
  106   2HB   HIS  13          2HB       HIS  13  -5.525  -0.278  -0.278
  107    HD1  HIS  13           HD1      HIS  13  -8.266   0.731   0.731
  108    HD2  HIS  13           HD2      HIS  13  -7.837  -1.212  -1.212
  109    HE1  HIS  13           HE1      HIS  13 -10.613   0.420   0.420
  110    HE2  HIS  13           HE2      HIS  13 -10.358  -0.811  -0.811
  111    H    MET  14           H        MET  14  -6.930  -4.098  -4.098
  112    HA   MET  14           HA       MET  14  -6.277  -5.421  -5.421
  113   1HB   MET  14          1HB       MET  14  -8.495  -5.863  -5.863
  114   2HB   MET  14          2HB       MET  14  -8.309  -6.900  -6.900
  115   1HG   MET  14          1HG       MET  14  -5.841  -6.502  -6.502
  116   2HG   MET  14          2HG       MET  14  -7.162  -7.392  -7.392
  117   1HE   MET  14          2HE       MET  14  -4.828  -7.310  -7.310
  118   2HE   MET  14          3HE       MET  14  -5.188  -8.903  -8.903
  119   3HE   MET  14          1HE       MET  14  -6.422  -7.628  -7.628
  120    H    THR  15           H        THR  15  -7.689  -5.949  -5.949
  121    HA   THR  15           HA       THR  15  -9.161  -3.779  -3.779
  122    HB   THR  15           HB       THR  15 -10.023  -5.893  -5.893
  123    HG1  THR  15           HG1      THR  15  -8.713  -7.716  -7.716
  124   1HG2  THR  15          1HG2      THR  15  -7.049  -5.176  -5.176
  125   2HG2  THR  15          2HG2      THR  15  -7.867  -6.012  -6.012
  126   3HG2  THR  15          3HG2      THR  15  -8.293  -4.335  -4.335
  127    H    GLU  16           H        GLU  16 -10.109  -6.877  -6.877
  128    HA   GLU  16           HA       GLU  16 -12.905  -6.148  -6.148
  129   1HB   GLU  16          1HB       GLU  16 -11.963  -8.451  -8.451
  130   2HB   GLU  16          2HB       GLU  16 -11.394  -8.471  -8.471
  131   1HG   GLU  16          1HG       GLU  16 -14.023  -7.896  -7.896
  132   2HG   GLU  16          2HG       GLU  16 -14.159  -8.796  -8.796
  133    H    SER  17           H        SER  17 -11.803  -4.076  -4.076
  134    HA   SER  17           HA       SER  17 -12.906  -4.719  -4.719
  135   1HB   SER  17          1HB       SER  17 -11.140  -4.047  -4.047
  136   2HB   SER  17          2HB       SER  17 -10.653  -5.444  -5.444
  137    HG   SER  17           HG       SER  17  -8.944  -4.093  -4.093
  138    HA   PRO  18           HA       PRO  18 -13.825  -0.403  -0.403
  139   1HB   PRO  18          1HB       PRO  18 -16.178  -0.122  -0.122
  140   2HB   PRO  18          2HB       PRO  18 -16.023  -1.088  -1.088
  141   1HG   PRO  18          1HG       PRO  18 -16.145  -2.121  -2.121
  142   2HG   PRO  18          2HG       PRO  18 -16.924  -2.748  -2.748
  143   1HD   PRO  18          1HD       PRO  18 -14.504  -3.657  -3.657
  144   2HD   PRO  18          2HD       PRO  18 -15.019  -3.918  -3.918
  145    H    ASP  19           H        ASP  19 -15.260  -0.440  -0.440
  146    HA   ASP  19           HA       ASP  19 -13.330   1.472   1.472
  147   1HB   ASP  19          1HB       ASP  19 -15.814   1.393   1.393
  148   2HB   ASP  19          2HB       ASP  19 -15.538  -0.083  -0.083
  149    H    CYS  20           H        CYS  20 -12.271   0.977   0.977
  150    HA   CYS  20           HA       CYS  20 -11.306  -1.835  -1.835
  151   1HB   CYS  20          1HB       CYS  20 -10.572   0.790   0.790
  152   2HB   CYS  20          2HB       CYS  20 -10.198  -0.770  -0.770
  153    H    SER  21           H        SER  21 -13.734  -2.038  -2.038
  154    HA   SER  21           HA       SER  21 -15.821  -1.503  -1.503
  155   1HB   SER  21          1HB       SER  21 -15.352  -3.836  -3.836
  156   2HB   SER  21          2HB       SER  21 -14.934  -4.254  -4.254
  157    HG   SER  21           HG       SER  21 -17.028  -3.691  -3.691
  158    H    ARG  22           H        ARG  22 -14.774   0.130   0.130
  159    HA   ARG  22           HA       ARG  22 -14.065   0.674   0.674
  160   1HB   ARG  22          1HB       ARG  22 -17.068   0.290   0.290
  161   2HB   ARG  22          2HB       ARG  22 -16.081   1.167   1.167
  162   1HG   ARG  22          1HG       ARG  22 -15.129   2.503   2.503
  163   2HG   ARG  22          2HG       ARG  22 -16.353   1.819   1.819
  164   1HD   ARG  22          1HD       ARG  22 -18.104   2.986   2.986
  165   2HD   ARG  22          2HD       ARG  22 -16.945   3.472   3.472
  166    HE   ARG  22           HE       ARG  22 -15.894   4.323   4.323
  167   1HH1  ARG  22          2HH2      ARG  22 -18.624   5.179   5.179
  168   2HH1  ARG  22          1HH2      ARG  22 -18.629   6.841   6.841
  169   1HH2  ARG  22          2HH1      ARG  22 -15.725   6.618   6.618
  170   2HH2  ARG  22          1HH1      ARG  22 -17.080   7.623   7.623
  171    H    ILE  23           H        ILE  23 -12.981  -1.464  -1.464
  172    HA   ILE  23           HA       ILE  23 -13.630  -3.490  -3.490
  173    HB   ILE  23           HB       ILE  23 -11.137  -2.948  -2.948
  174   1HG1  ILE  23          1HG1      ILE  23 -13.359  -5.025  -5.025
  175   2HG1  ILE  23          2HG1      ILE  23 -13.219  -3.543  -3.543
  176   1HG2  ILE  23          3HG2      ILE  23 -10.628  -4.248  -4.248
  177   2HG2  ILE  23          1HG2      ILE  23 -11.874  -5.420  -5.420
  178   3HG2  ILE  23          2HG2      ILE  23 -10.418  -5.205  -5.205
  179   1HD1  ILE  23          3HD1      ILE  23 -10.967  -4.288  -4.288
  180   2HD1  ILE  23          1HD1      ILE  23 -11.284  -5.869  -5.869
  181   3HD1  ILE  23          2HD1      ILE  23 -12.346  -5.277  -5.277
  182    H    TYR  24           H        TYR  24 -13.873  -2.312  -2.312
  183    HA   TYR  24           HA       TYR  24 -11.789  -0.487  -0.487
  184   1HB   TYR  24          1HB       TYR  24 -14.305  -0.553  -0.553
  185   2HB   TYR  24          2HB       TYR  24 -13.858  -1.782  -1.782
  186    HD1  TYR  24           HD2      TYR  24 -11.980  -1.065  -1.065
  187    HD2  TYR  24           HD1      TYR  24 -14.085   1.685   1.685
  188    HE1  TYR  24           HE2      TYR  24 -11.358   0.812   0.812
  189    HE2  TYR  24           HE1      TYR  24 -13.520   3.550   3.550
  190    HH   TYR  24           HH       TYR  24 -12.944   3.939   3.939
  191    H    ASP  25           H        ASP  25  -9.828  -1.203  -1.203
  192    HA   ASP  25           HA       ASP  25  -9.662  -3.593  -3.593
  193   1HB   ASP  25          1HB       ASP  25  -9.886  -4.528  -4.528
  194   2HB   ASP  25          2HB       ASP  25  -8.405  -3.693  -3.693
  195    HA   PRO  26           HA       PRO  26  -6.535  -0.349  -0.349
  196   1HB   PRO  26          1HB       PRO  26  -6.126  -0.332  -0.332
  197   2HB   PRO  26          2HB       PRO  26  -7.391   0.584   0.584
  198   1HG   PRO  26          1HG       PRO  26  -7.628  -2.036  -2.036
  199   2HG   PRO  26          2HG       PRO  26  -8.797  -0.690  -0.690
  200   1HD   PRO  26          1HD       PRO  26  -8.942  -2.999  -2.999
  201   2HD   PRO  26          2HD       PRO  26  -9.669  -1.440  -1.440
  202    H    VAL  27           H        VAL  27  -4.208  -0.363  -0.363
  203    HA   VAL  27           HA       VAL  27  -2.994  -2.809  -2.809
  204    HB   VAL  27           HB       VAL  27  -1.578  -3.229  -3.229
  205   1HG1  VAL  27          1HG1      VAL  27  -3.680  -4.416  -4.416
  206   2HG1  VAL  27          2HG1      VAL  27  -4.350  -3.143  -3.143
  207   3HG1  VAL  27          3HG1      VAL  27  -2.961  -4.091  -4.091
  208   1HG2  VAL  27          3HG2      VAL  27  -2.529  -0.639  -0.639
  209   2HG2  VAL  27          1HG2      VAL  27  -0.929  -1.359  -1.359
  210   3HG2  VAL  27          2HG2      VAL  27  -2.105  -1.918  -1.918
  211    H    CYS  28           H        CYS  28  -0.688  -2.359  -2.359
  212    HA   CYS  28           HA       CYS  28  -0.116   0.576   0.576
  213   1HB   CYS  28          1HB       CYS  28  -0.046  -0.862  -0.862
  214   2HB   CYS  28          2HB       CYS  28   1.265  -1.796  -1.796
  215    H    GLY  29           H        GLY  29   1.310   1.457   1.457
  216   1HA   GLY  29          1HA       GLY  29   2.655  -0.314  -0.314
  217   2HA   GLY  29          2HA       GLY  29   2.652   1.442   1.442
  218    H    THR  30           H        THR  30   5.018  -0.158  -0.158
  219    HA   THR  30           HA       THR  30   6.710  -0.238  -0.238
  220    HB   THR  30           HB       THR  30   8.528   0.011   0.011
  221    HG1  THR  30           HG1      THR  30   7.376   0.974   0.974
  222   1HG2  THR  30          2HG2      THR  30   6.513  -2.266  -2.266
  223   2HG2  THR  30          3HG2      THR  30   8.119  -2.266  -2.266
  224   3HG2  THR  30          1HG2      THR  30   7.971  -2.176  -2.176
  225    H    ASP  31           H        ASP  31   5.459   2.473   2.473
  226    HA   ASP  31           HA       ASP  31   7.519   4.398   4.398
  227   1HB   ASP  31          1HB       ASP  31   5.788   5.970   5.970
  228   2HB   ASP  31          2HB       ASP  31   6.059   4.682   4.682
  229    H    GLY  32           H        GLY  32   4.787   2.744   2.744
  230   1HA   GLY  32          1HA       GLY  32   4.419   2.615   2.615
  231   2HA   GLY  32          2HA       GLY  32   5.371   4.078   4.078
  232    H    VAL  33           H        VAL  33   3.080   4.594   4.594
  233    HA   VAL  33           HA       VAL  33   1.137   5.721   5.721
  234    HB   VAL  33           HB       VAL  33   1.369   6.250   6.250
  235   1HG1  VAL  33          3HG1      VAL  33  -0.255   7.558   7.558
  236   2HG1  VAL  33          1HG1      VAL  33  -0.059   8.203   8.203
  237   3HG1  VAL  33          2HG1      VAL  33  -0.865   6.656   6.656
  238   1HG2  VAL  33          2HG2      VAL  33   2.303   7.825   7.825
  239   2HG2  VAL  33          3HG2      VAL  33   3.360   7.158   7.158
  240   3HG2  VAL  33          1HG2      VAL  33   2.257   8.486   8.486
  241    H    THR  34           H        THR  34  -1.018   5.144   5.144
  242    HA   THR  34           HA       THR  34  -1.559   2.446   2.446
  243    HB   THR  34           HB       THR  34  -3.428   4.589   4.589
  244    HG1  THR  34           HG1      THR  34  -1.747   4.071   4.071
  245   1HG2  THR  34          1HG2      THR  34  -3.710   1.563   1.563
  246   2HG2  THR  34          2HG2      THR  34  -4.810   2.679   2.679
  247   3HG2  THR  34          3HG2      THR  34  -4.636   2.769   2.769
  248    H    TYR  35           H        TYR  35  -2.727   1.903   1.903
  249    HA   TYR  35           HA       TYR  35  -3.950   4.075   4.075
  250   1HB   TYR  35          1HB       TYR  35  -2.567   1.543   1.543
  251   2HB   TYR  35          2HB       TYR  35  -3.560   2.581   2.581
  252    HD1  TYR  35           HD2      TYR  35  -0.420   2.545   2.545
  253    HD2  TYR  35           HD1      TYR  35  -2.651   4.545   4.545
  254    HE1  TYR  35           HE2      TYR  35   1.450   4.114   4.114
  255    HE2  TYR  35           HE1      TYR  35  -0.749   6.086   6.086
  256    HH   TYR  35           HH       TYR  35   1.389   6.640   6.640
  257    H    GLU  36           H        GLU  36  -6.025   3.586   3.586
  258    HA   GLU  36           HA       GLU  36  -7.497   1.900   1.900
  259   1HB   GLU  36          1HB       GLU  36  -8.438   3.728   3.728
  260   2HB   GLU  36          2HB       GLU  36  -9.419   3.092   3.092
  261   1HG   GLU  36          1HG       GLU  36  -8.466   4.451   4.451
  262   2HG   GLU  36          2HG       GLU  36  -6.974   4.744   4.744
  263    H    SER  37           H        SER  37  -6.246   1.267   1.267
  264    HA   SER  37           HA       SER  37  -7.803  -1.166  -1.166
  265   1HB   SER  37          1HB       SER  37  -9.372   0.454   0.454
  266   2HB   SER  37          2HB       SER  37  -8.064   1.035   1.035
  267    HG   SER  37           HG       SER  37  -9.451  -1.398  -1.398
  268    H    GLU  38           H        GLU  38  -6.349  -2.659  -2.659
  269    HA   GLU  38           HA       GLU  38  -3.662  -2.031  -2.031
  270   1HB   GLU  38          1HB       GLU  38  -4.087  -4.309  -4.309
  271   2HB   GLU  38          2HB       GLU  38  -5.503  -4.304  -4.304
  272   1HG   GLU  38          1HG       GLU  38  -4.159  -4.101  -4.101
  273   2HG   GLU  38          2HG       GLU  38  -2.652  -3.977  -3.977
  274    H    CYS  39           H        CYS  39  -6.421  -2.055  -2.055
  275    HA   CYS  39           HA       CYS  39  -5.066  -1.525  -1.525
  276   1HB   CYS  39          1HB       CYS  39  -7.337  -1.978  -1.978
  277   2HB   CYS  39          2HB       CYS  39  -7.835  -0.789  -0.789
  278    H    LYS  40           H        LYS  40  -6.484   0.840   0.840
  279    HA   LYS  40           HA       LYS  40  -5.460   3.163   3.163
  280   1HB   LYS  40          1HB       LYS  40  -6.391   2.671   2.671
  281   2HB   LYS  40          2HB       LYS  40  -5.817   4.243   4.243
  282   1HG   LYS  40          1HG       LYS  40  -7.461   4.429   4.429
  283   2HG   LYS  40          2HG       LYS  40  -8.010   2.758   2.758
  284   1HD   LYS  40          1HD       LYS  40  -9.200   3.165   3.165
  285   2HD   LYS  40          2HD       LYS  40  -8.166   4.495   4.495
  286   1HE   LYS  40          1HE       LYS  40  -9.898   4.771   4.771
  287   2HE   LYS  40          2HE       LYS  40 -10.589   5.018   5.018
  288   1HZ   LYS  40          2HZ       LYS  40  -8.183   6.500   6.500
  289   2HZ   LYS  40          3HZ       LYS  40  -9.698   7.035   7.035
  290   3HZ   LYS  40          1HZ       LYS  40  -9.201   6.764   6.764
  291    H    LEU  41           H        LEU  41  -3.961   1.070   1.070
  292    HA   LEU  41           HA       LEU  41  -1.668   2.721   2.721
  293   1HB   LEU  41          1HB       LEU  41  -2.195   0.746   0.746
  294   2HB   LEU  41          2HB       LEU  41  -1.788  -0.331  -0.331
  295    HG   LEU  41           HG       LEU  41   0.263   1.716   1.716
  296   1HD1  LEU  41          2HD1      LEU  41  -0.519   0.543   0.543
  297   2HD1  LEU  41          3HD1      LEU  41  -0.160  -1.012  -1.012
  298   3HD1  LEU  41          1HD1      LEU  41   1.146   0.133   0.133
  299   1HD2  LEU  41          2HD2      LEU  41   0.363  -1.091  -1.091
  300   2HD2  LEU  41          3HD2      LEU  41   0.901   0.390   0.390
  301   3HD2  LEU  41          1HD2      LEU  41   1.802  -0.225  -0.225
  302    H    CYS  42           H        CYS  42  -2.223   0.051   0.051
  303    HA   CYS  42           HA       CYS  42   0.213   0.479   0.479
  304   1HB   CYS  42          1HB       CYS  42  -2.136  -1.153  -1.153
  305   2HB   CYS  42          2HB       CYS  42  -1.574  -0.489  -0.489
  306    H    LEU  43           H        LEU  43  -3.007   1.883   1.883
  307    HA   LEU  43           HA       LEU  43  -2.342   3.382   3.382
  308   1HB   LEU  43          1HB       LEU  43  -4.203   3.972   3.972
  309   2HB   LEU  43          2HB       LEU  43  -4.207   4.916   4.916
  310    HG   LEU  43           HG       LEU  43  -4.999   1.999   1.999
  311   1HD1  LEU  43          1HD1      LEU  43  -6.670   3.709   3.709
  312   2HD1  LEU  43          2HD1      LEU  43  -6.512   4.482   4.482
  313   3HD1  LEU  43          3HD1      LEU  43  -7.168   2.839   2.839
  314   1HD2  LEU  43          2HD2      LEU  43  -4.659   3.646   3.646
  315   2HD2  LEU  43          3HD2      LEU  43  -3.794   2.148   2.148
  316   3HD2  LEU  43          1HD2      LEU  43  -5.512   2.087   2.087
  317    H    ALA  44           H        ALA  44  -2.034   4.366   4.366
  318    HA   ALA  44           HA       ALA  44  -0.777   6.843   6.843
  319   1HB   ALA  44          2HB       ALA  44  -0.539   4.980   4.980
  320   2HB   ALA  44          3HB       ALA  44   0.025   6.653   6.653
  321   3HB   ALA  44          1HB       ALA  44  -1.707   6.302   6.302
  322    H    ARG  45           H        ARG  45   0.569   3.595   3.595
  323    HA   ARG  45           HA       ARG  45   3.330   4.210   4.210
  324   1HB   ARG  45          1HB       ARG  45   2.113   2.050   2.050
  325   2HB   ARG  45          2HB       ARG  45   2.001   1.728   1.728
  326   1HG   ARG  45          1HG       ARG  45   4.446   1.765   1.765
  327   2HG   ARG  45          2HG       ARG  45   4.541   2.032   2.032
  328   1HD   ARG  45          1HD       ARG  45   3.196  -0.059  -0.059
  329   2HD   ARG  45          2HD       ARG  45   3.100  -0.313  -0.313
  330    HE   ARG  45           HE       ARG  45   5.351  -0.929  -0.929
  331   1HH1  ARG  45          2HH2      ARG  45   4.421  -0.140  -0.140
  332   2HH1  ARG  45          1HH2      ARG  45   5.633  -1.168  -1.168
  333   1HH2  ARG  45          2HH1      ARG  45   7.349  -1.903  -1.903
  334   2HH2  ARG  45          1HH1      ARG  45   6.951  -2.430  -2.430
  335    H    ILE  46           H        ILE  46   1.029   3.567   3.567
  336    HA   ILE  46           HA       ILE  46   2.990   3.734   3.734
  337    HB   ILE  46           HB       ILE  46  -0.061   3.881   3.881
  338   1HG1  ILE  46          1HG1      ILE  46   1.758   1.612   1.612
  339   2HG1  ILE  46          2HG1      ILE  46   1.022   1.673   1.673
  340   1HG2  ILE  46          3HG2      ILE  46   1.845   3.635   3.635
  341   2HG2  ILE  46          1HG2      ILE  46   0.075   3.504   3.504
  342   3HG2  ILE  46          2HG2      ILE  46   0.804   5.022   5.022
  343   1HD1  ILE  46          1HD1      ILE  46  -1.247   1.761   1.761
  344   2HD1  ILE  46          2HD1      ILE  46  -0.468   1.441   1.441
  345   3HD1  ILE  46          3HD1      ILE  46  -0.345   0.260   0.260
  346    H    GLU  47           H        GLU  47   0.531   6.068   6.068
  347    HA   GLU  47           HA       GLU  47   1.128   7.979   7.979
  348   1HB   GLU  47          1HB       GLU  47  -0.211   9.527   9.527
  349   2HB   GLU  47          2HB       GLU  47  -0.928   7.926   7.926
  350   1HG   GLU  47          1HG       GLU  47   0.342   7.858   7.858
  351   2HG   GLU  47          2HG       GLU  47   0.761   9.580   9.580
  352    H    ASN  48           H        ASN  48   2.365   7.588   7.588
  353    HA   ASN  48           HA       ASN  48   4.200   9.822   9.822
  354   1HB   ASN  48          1HB       ASN  48   4.084   7.624   7.624
  355   2HB   ASN  48          2HB       ASN  48   5.119   9.057   9.057
  356   1HD2  ASN  48          2HD2      ASN  48   1.156   9.326   9.326
  357   2HD2  ASN  48          1HD2      ASN  48   1.880   7.878   7.878
  358    H    LYS  49           H        LYS  49   4.356   6.421   6.421
  359    HA   LYS  49           HA       LYS  49   5.949   5.065   5.065
  360   1HB   LYS  49          1HB       LYS  49   7.647   7.515   7.515
  361   2HB   LYS  49          2HB       LYS  49   7.857   5.862   5.862
  362   1HG   LYS  49          1HG       LYS  49   5.553   5.987   5.987
  363   2HG   LYS  49          2HG       LYS  49   5.432   7.664   7.664
  364   1HD   LYS  49          1HD       LYS  49   6.016   7.587   7.587
  365   2HD   LYS  49          2HD       LYS  49   7.357   8.298   8.298
  366   1HE   LYS  49          1HE       LYS  49   8.758   6.471   6.471
  367   2HE   LYS  49          2HE       LYS  49   7.423   5.309   5.309
  368   1HZ   LYS  49          2HZ       LYS  49   8.162   7.216   7.216
  369   2HZ   LYS  49          3HZ       LYS  49   8.475   5.604   5.604
  370   3HZ   LYS  49          1HZ       LYS  49   6.910   6.127   6.127
  371    H    GLN  50           H        GLN  50   5.879   4.419   4.419
  372    HA   GLN  50           HA       GLN  50   8.527   4.730   4.730
  373   1HB   GLN  50          1HB       GLN  50   5.716   4.816   4.816
  374   2HB   GLN  50          2HB       GLN  50   7.193   4.565   4.565
  375   1HG   GLN  50          1HG       GLN  50   8.107   6.655   6.655
  376   2HG   GLN  50          2HG       GLN  50   6.434   6.996   6.996
  377   1HE2  GLN  50          2HE2      GLN  50   7.786   8.075   8.075
  378   2HE2  GLN  50          1HE2      GLN  50   8.707   7.959   7.959
  379    H    ASP  51           H        ASP  51   8.938   2.861   2.861
  380    HA   ASP  51           HA       ASP  51   7.848   0.345   0.345
  381   1HB   ASP  51          1HB       ASP  51  10.279   0.665   0.665
  382   2HB   ASP  51          2HB       ASP  51  10.478   0.762   0.762
  383    H    ILE  52           H        ILE  52   6.108   1.423   1.423
  384    HA   ILE  52           HA       ILE  52   6.495   0.904   0.904
  385    HB   ILE  52           HB       ILE  52   3.886   1.232   1.232
  386   1HG1  ILE  52          1HG1      ILE  52   5.520   3.269   3.269
  387   2HG1  ILE  52          2HG1      ILE  52   5.442   3.186   3.186
  388   1HG2  ILE  52          1HG2      ILE  52   3.592   0.163   0.163
  389   2HG2  ILE  52          2HG2      ILE  52   4.528   1.472   1.472
  390   3HG2  ILE  52          3HG2      ILE  52   2.946   1.793   1.793
  391   1HD1  ILE  52          3HD1      ILE  52   2.945   3.566   3.566
  392   2HD1  ILE  52          1HD1      ILE  52   3.177   3.915   3.915
  393   3HD1  ILE  52          2HD1      ILE  52   3.963   4.924   4.924
  394    H    GLN  53           H        GLN  53   5.880  -1.000  -1.000
  395    HA   GLN  53           HA       GLN  53   4.471  -3.111  -3.111
  396   1HB   GLN  53          1HB       GLN  53   7.169  -3.322  -3.322
  397   2HB   GLN  53          2HB       GLN  53   6.325  -4.172  -4.172
  398   1HG   GLN  53          1HG       GLN  53   5.745  -5.921  -5.921
  399   2HG   GLN  53          2HG       GLN  53   5.408  -4.869  -4.869
  400   1HE2  GLN  53          2HE2      GLN  53   9.363  -6.004  -6.004
  401   2HE2  GLN  53          1HE2      GLN  53   8.219  -5.986  -5.986
  402    H    ILE  54           H        ILE  54   3.250  -4.567  -4.567
  403    HA   ILE  54           HA       ILE  54   2.012  -3.023  -3.023
  404    HB   ILE  54           HB       ILE  54   1.509  -5.740  -5.740
  405   1HG1  ILE  54          1HG1      ILE  54  -0.330  -3.345  -3.345
  406   2HG1  ILE  54          2HG1      ILE  54   0.873  -3.504  -3.504
  407   1HG2  ILE  54          3HG2      ILE  54   0.255  -4.393  -4.393
  408   2HG2  ILE  54          1HG2      ILE  54  -0.623  -5.635  -5.635
  409   3HG2  ILE  54          2HG2      ILE  54   0.898  -6.034  -6.034
  410   1HD1  ILE  54          2HD1      ILE  54  -1.297  -5.571  -5.571
  411   2HD1  ILE  54          3HD1      ILE  54  -1.323  -4.326  -4.326
  412   3HD1  ILE  54          1HD1      ILE  54  -0.085  -5.595  -5.595
  413    H    VAL  55           H        VAL  55   3.035  -3.020  -3.020
  414    HA   VAL  55           HA       VAL  55   5.027  -5.038  -5.038
  415    HB   VAL  55           HB       VAL  55   3.732  -2.667  -2.667
  416   1HG1  VAL  55          3HG1      VAL  55   5.785  -4.584  -4.584
  417   2HG1  VAL  55          1HG1      VAL  55   5.310  -3.005  -3.005
  418   3HG1  VAL  55          2HG1      VAL  55   4.141  -4.316  -4.316
  419   1HG2  VAL  55          1HG2      VAL  55   6.528  -3.326  -3.326
  420   2HG2  VAL  55          2HG2      VAL  55   5.367  -2.175  -2.175
  421   3HG2  VAL  55          3HG2      VAL  55   6.104  -1.855  -1.855
  422    H    LYS  56           H        LYS  56   1.648  -4.213  -4.213
  423    HA   LYS  56           HA       LYS  56   1.119  -6.977  -6.977
  424   1HB   LYS  56          1HB       LYS  56   0.590  -7.368  -7.368
  425   2HB   LYS  56          2HB       LYS  56   2.148  -6.582  -6.582
  426   1HG   LYS  56          1HG       LYS  56  -0.512  -5.111  -5.111
  427   2HG   LYS  56          2HG       LYS  56   0.267  -6.051  -6.051
  428   1HD   LYS  56          1HD       LYS  56   2.163  -4.654  -4.654
  429   2HD   LYS  56          2HD       LYS  56   1.709  -3.762  -3.762
  430   1HE   LYS  56          1HE       LYS  56  -0.114  -2.686  -2.686
  431   2HE   LYS  56          2HE       LYS  56  -0.267  -3.891  -3.891
  432   1HZ   LYS  56          3HZ       LYS  56   1.940  -1.953  -1.953
  433   2HZ   LYS  56          1HZ       LYS  56   0.616  -1.862  -1.862
  434   3HZ   LYS  56          2HZ       LYS  56   1.679  -3.080  -3.080
  435    H    ASP  57           H        ASP  57  -1.072  -7.458  -7.458
  436    HA   ASP  57           HA       ASP  57  -2.925  -5.820  -5.820
  437   1HB   ASP  57          1HB       ASP  57  -3.455  -8.111  -8.111
  438   2HB   ASP  57          2HB       ASP  57  -4.503  -7.569  -7.569
  439    H    GLY  58           H        GLY  58  -4.572  -4.472  -4.472
  440   1HA   GLY  58          1HA       GLY  58  -5.784  -3.258  -3.258
  441   2HA   GLY  58          2HA       GLY  58  -5.252  -4.260  -4.260
  442    H    GLU  59           H        GLU  59  -5.391  -1.886  -1.886
  443    HA   GLU  59           HA       GLU  59  -3.677   0.066   0.066
  444   1HB   GLU  59          1HB       GLU  59  -5.070  -0.032  -0.032
  445   2HB   GLU  59          2HB       GLU  59  -4.294   1.363   1.363
  446   1HG   GLU  59          1HG       GLU  59  -5.831   0.955   0.955
  447   2HG   GLU  59          2HG       GLU  59  -6.795  -0.041  -0.041
  448    H    CYS  60           H        CYS  60  -2.064   1.363   1.363
  449    HA   CYS  60           HA       CYS  60   0.250  -0.195  -0.195
  450   1HB   CYS  60          1HB       CYS  60  -0.261   2.790   2.790
  451   2HB   CYS  60          2HB       CYS  60   1.296   2.021   2.021

  Start of MODEL    2
    1   1H    GLU   1          1HN       GLU   1   3.847 -19.405 -19.405
    2   2H    GLU   1          2HN       GLU   1   3.943 -20.070 -20.070
    3   3H    GLU   1          3HN       GLU   1   4.672 -20.822 -20.822
    4    HA   GLU   1           HA       GLU   1   6.218 -19.134 -19.134
    5   1HB   GLU   1          1HB       GLU   1   7.578 -19.430 -19.430
    6   2HB   GLU   1          2HB       GLU   1   6.674 -20.926 -20.926
    7   1HG   GLU   1          1HG       GLU   1   6.306 -18.738 -18.738
    8   2HG   GLU   1          2HG       GLU   1   6.948 -20.349 -20.349
    9    H    LYS   2           H        LYS   2   6.384 -16.970 -16.970
   10    HA   LYS   2           HA       LYS   2   6.516 -15.317 -15.317
   11   1HB   LYS   2          1HB       LYS   2   3.907 -15.404 -15.404
   12   2HB   LYS   2          2HB       LYS   2   3.957 -14.507 -14.507
   13   1HG   LYS   2          1HG       LYS   2   5.428 -13.554 -13.554
   14   2HG   LYS   2          2HG       LYS   2   3.691 -13.373 -13.373
   15   1HD   LYS   2          1HD       LYS   2   5.595 -12.269 -12.269
   16   2HD   LYS   2          2HD       LYS   2   5.044 -11.362 -11.362
   17   1HE   LYS   2          1HE       LYS   2   3.177 -12.459 -12.459
   18   2HE   LYS   2          2HE       LYS   2   3.770 -10.802 -10.802
   19   1HZ   LYS   2          1HZ       LYS   2   2.735 -10.788 -10.788
   20   2HZ   LYS   2          2HZ       LYS   2   1.972 -12.160 -12.160
   21   3HZ   LYS   2          3HZ       LYS   2   1.682 -10.909 -10.909
   22    H    GLN   3           H        GLN   3   4.993 -14.730 -14.730
   23    HA   GLN   3           HA       GLN   3   5.598 -13.769 -13.769
   24   1HB   GLN   3          1HB       GLN   3   7.459 -15.363 -15.363
   25   2HB   GLN   3          2HB       GLN   3   8.506 -14.176 -14.176
   26   1HG   GLN   3          1HG       GLN   3   8.911 -14.060 -14.060
   27   2HG   GLN   3          2HG       GLN   3   8.110 -12.589 -12.589
   28   1HE2  GLN   3          2HE2      GLN   3   6.075 -15.264 -15.264
   29   2HE2  GLN   3          1HE2      GLN   3   7.518 -15.751 -15.751
   30    H    VAL   4           H        VAL   4   8.124 -12.563 -12.563
   31    HA   VAL   4           HA       VAL   4   6.956  -9.844  -9.844
   32    HB   VAL   4           HB       VAL   4   9.968 -10.369 -10.369
   33   1HG1  VAL   4          1HG1      VAL   4   9.229  -8.296  -8.296
   34   2HG1  VAL   4          2HG1      VAL   4   8.278  -7.847  -7.847
   35   3HG1  VAL   4          3HG1      VAL   4  10.045  -7.928  -7.928
   36   1HG2  VAL   4          3HG2      VAL   4   8.102  -9.486  -9.486
   37   2HG2  VAL   4          1HG2      VAL   4   9.115 -10.958 -10.958
   38   3HG2  VAL   4          2HG2      VAL   4   9.878  -9.381  -9.381
   39    H    PHE   5           H        PHE   5   6.519  -9.386  -9.386
   40    HA   PHE   5           HA       PHE   5   8.412  -9.639  -9.639
   41   1HB   PHE   5          1HB       PHE   5   7.541 -12.223 -12.223
   42   2HB   PHE   5          2HB       PHE   5   6.267 -11.617 -11.617
   43    HD1  PHE   5          1HD       PHE   5   9.936 -12.117 -12.117
   44    HD2  PHE   5          1HD       PHE   5   6.674 -11.149 -11.149
   45    HE1  PHE   5          2HE       PHE   5  11.364 -12.652 -12.652
   46    HE2  PHE   5          1HE       PHE   5   8.157 -11.446 -11.446
   47    HZ   PHE   5           HZ       PHE   5  10.469 -12.389 -12.389
   48    H    SER   6           H        SER   6   7.642  -8.580  -8.580
   49    HA   SER   6           HA       SER   6   5.404  -6.869  -6.869
   50   1HB   SER   6          1HB       SER   6   6.072  -6.351  -6.351
   51   2HB   SER   6          2HB       SER   6   7.201  -5.966  -5.966
   52    HG   SER   6           HG       SER   6   8.193  -7.220  -7.220
   53    H    ARG   7           H        ARG   7   3.691  -6.686  -6.686
   54    HA   ARG   7           HA       ARG   7   2.921  -9.339  -9.339
   55   1HB   ARG   7          1HB       ARG   7   0.945  -7.383  -7.383
   56   2HB   ARG   7          2HB       ARG   7   0.543  -8.750  -8.750
   57   1HG   ARG   7          1HG       ARG   7   1.409 -10.315 -10.315
   58   2HG   ARG   7          2HG       ARG   7   2.080  -9.001  -9.001
   59   1HD   ARG   7          1HD       ARG   7   0.027  -9.959  -9.959
   60   2HD   ARG   7          2HD       ARG   7  -0.102  -8.222  -8.222
   61    HE   ARG   7           HE       ARG   7  -1.237  -9.057  -9.057
   62   1HH1  ARG   7          1HH2      ARG   7  -1.800 -10.087 -10.087
   63   2HH1  ARG   7          2HH2      ARG   7  -3.439 -10.398 -10.398
   64   1HH2  ARG   7          2HH1      ARG   7  -3.533  -9.174  -9.174
   65   2HH2  ARG   7          1HH1      ARG   7  -4.467  -9.809  -9.809
   66    H    MET   8           H        MET   8   2.006  -9.154  -9.154
   67    HA   MET   8           HA       MET   8   3.091  -6.794  -6.794
   68   1HB   MET   8          1HB       MET   8   2.054  -9.476  -9.476
   69   2HB   MET   8          2HB       MET   8   2.598  -8.171  -8.171
   70   1HG   MET   8          1HG       MET   8   4.783  -8.119  -8.119
   71   2HG   MET   8          2HG       MET   8   4.307  -9.431  -9.431
   72   1HE   MET   8          2HE       MET   8   6.873  -9.154  -9.154
   73   2HE   MET   8          3HE       MET   8   6.651 -10.568 -10.568
   74   3HE   MET   8          1HE       MET   8   7.083 -10.786 -10.786
   75    HA   PRO   9           HA       PRO   9  -1.209  -5.383  -5.383
   76   1HB   PRO   9          1HB       PRO   9  -0.754  -2.892  -2.892
   77   2HB   PRO   9          2HB       PRO   9  -0.429  -3.288  -3.288
   78   1HG   PRO   9          1HG       PRO   9   1.560  -3.204  -3.204
   79   2HG   PRO   9          2HG       PRO   9   1.727  -2.461  -2.461
   80   1HD   PRO   9          1HD       PRO   9   2.821  -4.882  -4.882
   81   2HD   PRO   9          2HD       PRO   9   2.205  -4.525  -4.525
   82    H    ILE  10           H        ILE  10  -2.504  -5.673  -5.673
   83    HA   ILE  10           HA       ILE  10  -1.260  -6.003  -6.003
   84    HB   ILE  10           HB       ILE  10  -3.976  -6.613  -6.613
   85   1HG1  ILE  10          1HG1      ILE  10  -1.787  -8.262  -8.262
   86   2HG1  ILE  10          2HG1      ILE  10  -2.149  -8.178  -8.178
   87   1HG2  ILE  10          2HG2      ILE  10  -3.190  -6.570  -6.570
   88   2HG2  ILE  10          3HG2      ILE  10  -4.629  -7.412  -7.412
   89   3HG2  ILE  10          1HG2      ILE  10  -4.506  -5.666  -5.666
   90   1HD1  ILE  10          1HD1      ILE  10  -4.525  -9.010  -9.010
   91   2HD1  ILE  10          2HD1      ILE  10  -3.768  -9.494  -9.494
   92   3HD1  ILE  10          3HD1      ILE  10  -3.184 -10.163 -10.163
   93    H    CYS  11           H        CYS  11  -1.786  -4.704  -4.704
   94    HA   CYS  11           HA       CYS  11  -2.616  -1.924  -1.924
   95   1HB   CYS  11          1HB       CYS  11  -0.543  -3.143  -3.143
   96   2HB   CYS  11          2HB       CYS  11  -1.233  -1.600  -1.600
   97    H    GLU  12           H        GLU  12  -4.401  -1.238  -1.238
   98    HA   GLU  12           HA       GLU  12  -6.438  -1.433  -1.433
   99   1HB   GLU  12          1HB       GLU  12  -5.786   0.131   0.131
  100   2HB   GLU  12          2HB       GLU  12  -5.477   0.695   0.695
  101   1HG   GLU  12          1HG       GLU  12  -3.138   0.415   0.415
  102   2HG   GLU  12          2HG       GLU  12  -3.233  -0.733  -0.733
  103    H    HIS  13           H        HIS  13  -6.917  -3.659  -3.659
  104    HA   HIS  13           HA       HIS  13  -6.424  -3.870  -3.870
  105   1HB   HIS  13          1HB       HIS  13  -4.619  -5.122  -5.122
  106   2HB   HIS  13          2HB       HIS  13  -5.836  -6.366  -6.366
  107    HD1  HIS  13           HD1      HIS  13  -5.717  -7.920  -7.920
  108    HD2  HIS  13           HD2      HIS  13  -3.867  -4.145  -4.145
  109    HE1  HIS  13           HE1      HIS  13  -4.627  -7.859  -7.859
  110    HE2  HIS  13           HE2      HIS  13  -3.457  -5.572  -5.572
  111    H    MET  14           H        MET  14  -7.542  -6.831  -6.831
  112    HA   MET  14           HA       MET  14 -10.048  -5.925  -5.925
  113   1HB   MET  14          1HB       MET  14  -9.154  -8.684  -8.684
  114   2HB   MET  14          2HB       MET  14 -10.680  -8.329  -8.329
  115   1HG   MET  14          1HG       MET  14  -9.467  -7.421  -7.421
  116   2HG   MET  14          2HG       MET  14  -7.930  -7.818  -7.818
  117   1HE   MET  14          3HE       MET  14  -7.050  -9.218  -9.218
  118   2HE   MET  14          1HE       MET  14  -8.006 -10.491 -10.491
  119   3HE   MET  14          2HE       MET  14  -8.527  -8.797  -8.797
  120    H    THR  15           H        THR  15 -12.082  -6.629  -6.629
  121    HA   THR  15           HA       THR  15 -13.255  -5.330  -5.330
  122    HB   THR  15           HB       THR  15 -14.252  -6.950  -6.950
  123    HG1  THR  15           HG1      THR  15 -15.523  -5.847  -5.847
  124   1HG2  THR  15          2HG2      THR  15 -12.984  -8.944  -8.944
  125   2HG2  THR  15          3HG2      THR  15 -14.098  -9.001  -9.001
  126   3HG2  THR  15          1HG2      THR  15 -14.702  -9.234  -9.234
  127    H    GLU  16           H        GLU  16 -13.650  -5.100  -5.100
  128    HA   GLU  16           HA       GLU  16 -11.785  -5.243  -5.243
  129   1HB   GLU  16          1HB       GLU  16 -14.394  -5.757  -5.757
  130   2HB   GLU  16          2HB       GLU  16 -13.295  -4.403  -4.403
  131   1HG   GLU  16          1HG       GLU  16 -15.426  -4.813  -4.813
  132   2HG   GLU  16          2HG       GLU  16 -15.501  -3.736  -3.736
  133    H    SER  17           H        SER  17 -10.514  -6.893  -6.893
  134    HA   SER  17           HA       SER  17 -11.626  -9.489  -9.489
  135   1HB   SER  17          1HB       SER  17  -9.223 -10.199 -10.199
  136   2HB   SER  17          2HB       SER  17 -10.776 -10.300 -10.300
  137    HG   SER  17           HG       SER  17 -10.413  -8.349  -8.349
  138    HA   PRO  18           HA       PRO  18  -7.969  -8.567  -8.567
  139   1HB   PRO  18          1HB       PRO  18  -6.235  -6.526  -6.526
  140   2HB   PRO  18          2HB       PRO  18  -6.036  -8.078  -8.078
  141   1HG   PRO  18          1HG       PRO  18  -7.473  -5.601  -5.601
  142   2HG   PRO  18          2HG       PRO  18  -6.144  -6.460  -6.460
  143   1HD   PRO  18          1HD       PRO  18  -8.667  -6.969  -6.969
  144   2HD   PRO  18          2HD       PRO  18  -7.520  -8.324  -8.324
  145    H    ASP  19           H        ASP  19  -7.473  -6.291  -6.291
  146    HA   ASP  19           HA       ASP  19 -10.108  -5.112  -5.112
  147   1HB   ASP  19          1HB       ASP  19  -7.475  -4.334  -4.334
  148   2HB   ASP  19          2HB       ASP  19  -9.093  -3.925  -3.925
  149    H    CYS  20           H        CYS  20 -10.253  -4.410  -4.410
  150    HA   CYS  20           HA       CYS  20  -9.015  -1.751  -1.751
  151   1HB   CYS  20          1HB       CYS  20  -9.937  -3.964  -3.964
  152   2HB   CYS  20          2HB       CYS  20 -10.091  -2.297  -2.297
  153    H    SER  21           H        SER  21 -10.212  -0.054  -0.054
  154    HA   SER  21           HA       SER  21 -11.894   1.445   1.445
  155   1HB   SER  21          1HB       SER  21 -13.052  -0.081  -0.081
  156   2HB   SER  21          2HB       SER  21 -13.856  -0.839  -0.839
  157    HG   SER  21           HG       SER  21 -15.044   0.895   0.895
  158    H    ARG  22           H        ARG  22 -14.263   0.915   0.915
  159    HA   ARG  22           HA       ARG  22 -13.356   1.741   1.741
  160   1HB   ARG  22          1HB       ARG  22 -16.134   1.393   1.393
  161   2HB   ARG  22          2HB       ARG  22 -15.816   1.984   1.984
  162   1HG   ARG  22          1HG       ARG  22 -14.350   3.804   3.804
  163   2HG   ARG  22          2HG       ARG  22 -14.946   3.262   3.262
  164   1HD   ARG  22          1HD       ARG  22 -16.308   5.105   5.105
  165   2HD   ARG  22          2HD       ARG  22 -17.273   3.616   3.616
  166    HE   ARG  22           HE       ARG  22 -16.049   3.993   3.993
  167   1HH1  ARG  22          2HH2      ARG  22 -18.966   5.053   5.053
  168   2HH1  ARG  22          1HH2      ARG  22 -19.546   5.940   5.940
  169   1HH2  ARG  22          2HH1      ARG  22 -17.050   4.719   4.719
  170   2HH2  ARG  22          1HH1      ARG  22 -18.516   5.668   5.668
  171    H    ILE  23           H        ILE  23 -12.830  -1.061  -1.061
  172    HA   ILE  23           HA       ILE  23 -14.127  -2.602  -2.602
  173    HB   ILE  23           HB       ILE  23 -11.355  -2.795  -2.795
  174   1HG1  ILE  23          1HG1      ILE  23 -13.500  -3.184  -3.184
  175   2HG1  ILE  23          2HG1      ILE  23 -12.170  -4.307  -4.307
  176   1HG2  ILE  23          2HG2      ILE  23 -12.853  -4.585  -4.585
  177   2HG2  ILE  23          3HG2      ILE  23 -11.483  -5.142  -5.142
  178   3HG2  ILE  23          1HG2      ILE  23 -11.258  -3.832  -3.832
  179   1HD1  ILE  23          2HD1      ILE  23 -14.637  -4.707  -4.707
  180   2HD1  ILE  23          3HD1      ILE  23 -14.437  -5.366  -5.366
  181   3HD1  ILE  23          1HD1      ILE  23 -13.354  -5.896  -5.896
  182    H    TYR  24           H        TYR  24 -13.883  -2.096  -2.096
  183    HA   TYR  24           HA       TYR  24 -11.744  -0.162  -0.162
  184   1HB   TYR  24          1HB       TYR  24 -14.334   0.287   0.287
  185   2HB   TYR  24          2HB       TYR  24 -14.203  -0.743  -0.743
  186    HD1  TYR  24           HD1      TYR  24 -11.620  -0.024  -0.024
  187    HD2  TYR  24           HD2      TYR  24 -14.555   2.481   2.481
  188    HE1  TYR  24           HE1      TYR  24 -10.714   1.926   1.926
  189    HE2  TYR  24           HE2      TYR  24 -13.716   4.421   4.421
  190    HH   TYR  24           HH       TYR  24 -10.944   4.168   4.168
  191    H    ASP  25           H        ASP  25 -10.218  -1.882  -1.882
  192    HA   ASP  25           HA       ASP  25 -10.392  -3.654  -3.654
  193   1HB   ASP  25          1HB       ASP  25 -11.205  -4.950  -4.950
  194   2HB   ASP  25          2HB       ASP  25  -9.540  -4.845  -4.845
  195    HA   PRO  26           HA       PRO  26  -6.940  -0.981  -0.981
  196   1HB   PRO  26          1HB       PRO  26  -5.983  -0.638  -0.638
  197   2HB   PRO  26          2HB       PRO  26  -7.250   0.314   0.314
  198   1HG   PRO  26          1HG       PRO  26  -7.588  -2.013  -2.013
  199   2HG   PRO  26          2HG       PRO  26  -8.566  -0.529  -0.529
  200   1HD   PRO  26          1HD       PRO  26  -9.365  -2.909  -2.909
  201   2HD   PRO  26          2HD       PRO  26  -9.767  -1.362  -1.362
  202    H    VAL  27           H        VAL  27  -4.608  -0.845  -0.845
  203    HA   VAL  27           HA       VAL  27  -3.155  -3.199  -3.199
  204    HB   VAL  27           HB       VAL  27  -1.850  -3.325  -3.325
  205   1HG1  VAL  27          3HG1      VAL  27  -3.608  -4.972  -4.972
  206   2HG1  VAL  27          1HG1      VAL  27  -4.791  -3.962  -3.962
  207   3HG1  VAL  27          2HG1      VAL  27  -3.410  -4.661  -4.661
  208   1HG2  VAL  27          3HG2      VAL  27  -2.396  -1.097  -1.097
  209   2HG2  VAL  27          1HG2      VAL  27  -2.658  -2.430  -2.430
  210   3HG2  VAL  27          2HG2      VAL  27  -4.051  -1.660  -1.660
  211    H    CYS  28           H        CYS  28  -0.941  -2.673  -2.673
  212    HA   CYS  28           HA       CYS  28  -0.529   0.237   0.237
  213   1HB   CYS  28          1HB       CYS  28  -0.477  -1.355  -1.355
  214   2HB   CYS  28          2HB       CYS  28   0.774  -2.301  -2.301
  215    H    GLY  29           H        GLY  29   1.065   1.324   1.324
  216   1HA   GLY  29          1HA       GLY  29   2.523  -0.319  -0.319
  217   2HA   GLY  29          2HA       GLY  29   2.145   1.407   1.407
  218    H    THR  30           H        THR  30   4.699  -0.003  -0.003
  219    HA   THR  30           HA       THR  30   6.488   0.566   0.566
  220    HB   THR  30           HB       THR  30   8.231   0.058   0.058
  221    HG1  THR  30           HG1      THR  30   7.240   0.869   0.869
  222   1HG2  THR  30          2HG2      THR  30   5.937  -1.946  -1.946
  223   2HG2  THR  30          3HG2      THR  30   7.542  -2.258  -2.258
  224   3HG2  THR  30          1HG2      THR  30   7.373  -1.875  -1.875
  225    H    ASP  31           H        ASP  31   4.828   2.788   2.788
  226    HA   ASP  31           HA       ASP  31   6.961   4.780   4.780
  227   1HB   ASP  31          1HB       ASP  31   5.114   6.196   6.196
  228   2HB   ASP  31          2HB       ASP  31   5.143   4.708   4.708
  229    H    GLY  32           H        GLY  32   4.543   3.555   3.555
  230   1HA   GLY  32          1HA       GLY  32   5.109   4.191   4.191
  231   2HA   GLY  32          2HA       GLY  32   4.989   5.859   5.859
  232    H    VAL  33           H        VAL  33   2.720   4.661   4.661
  233    HA   VAL  33           HA       VAL  33   0.761   5.872   5.872
  234    HB   VAL  33           HB       VAL  33   0.805   5.570   5.570
  235   1HG1  VAL  33          2HG1      VAL  33  -0.925   7.307   7.307
  236   2HG1  VAL  33          3HG1      VAL  33  -0.830   7.454   7.454
  237   3HG1  VAL  33          1HG1      VAL  33  -1.462   5.976   5.976
  238   1HG2  VAL  33          2HG2      VAL  33   1.624   7.924   7.924
  239   2HG2  VAL  33          3HG2      VAL  33   2.706   6.969   6.969
  240   3HG2  VAL  33          1HG2      VAL  33   1.465   7.975   7.975
  241    H    THR  34           H        THR  34  -1.361   5.046   5.046
  242    HA   THR  34           HA       THR  34  -1.810   2.193   2.193
  243    HB   THR  34           HB       THR  34  -3.406   4.211   4.211
  244    HG1  THR  34           HG1      THR  34  -1.717   3.348   3.348
  245   1HG2  THR  34          3HG2      THR  34  -4.044   1.326   1.326
  246   2HG2  THR  34          1HG2      THR  34  -4.862   2.284   2.284
  247   3HG2  THR  34          2HG2      THR  34  -4.997   2.767   2.767
  248    H    TYR  35           H        TYR  35  -3.007   1.623   1.623
  249    HA   TYR  35           HA       TYR  35  -4.532   3.686   3.686
  250   1HB   TYR  35          1HB       TYR  35  -2.795   1.324   1.324
  251   2HB   TYR  35          2HB       TYR  35  -4.178   1.744   1.744
  252    HD1  TYR  35           HD1      TYR  35  -0.916   3.110   3.110
  253    HD2  TYR  35           HD2      TYR  35  -4.298   3.699   3.699
  254    HE1  TYR  35           HE1      TYR  35   0.163   5.117   5.117
  255    HE2  TYR  35           HE2      TYR  35  -3.222   5.676   5.676
  256    HH   TYR  35           HH       TYR  35  -0.077   6.930   6.930
  257    H    GLU  36           H        GLU  36  -6.702   3.066   3.066
  258    HA   GLU  36           HA       GLU  36  -7.886   1.111   1.111
  259   1HB   GLU  36          1HB       GLU  36  -9.224   2.492   2.492
  260   2HB   GLU  36          2HB       GLU  36  -9.965   1.716   1.716
  261   1HG   GLU  36          1HG       GLU  36 -10.141   3.941   3.941
  262   2HG   GLU  36          2HG       GLU  36  -8.696   3.423   3.423
  263    H    SER  37           H        SER  37  -6.286   0.679   0.679
  264    HA   SER  37           HA       SER  37  -7.350  -1.986  -1.986
  265   1HB   SER  37          1HB       SER  37  -7.770  -0.512  -0.512
  266   2HB   SER  37          2HB       SER  37  -8.830  -1.647  -1.647
  267    HG   SER  37           HG       SER  37  -9.646  -0.053  -0.053
  268    H    GLU  38           H        GLU  38  -5.798  -3.220  -3.220
  269    HA   GLU  38           HA       GLU  38  -3.236  -2.109  -2.109
  270   1HB   GLU  38          1HB       GLU  38  -2.652  -4.122  -4.122
  271   2HB   GLU  38          2HB       GLU  38  -3.352  -4.415  -4.415
  272   1HG   GLU  38          1HG       GLU  38  -5.365  -5.183  -5.183
  273   2HG   GLU  38          2HG       GLU  38  -5.061  -4.413  -4.413
  274    H    CYS  39           H        CYS  39  -5.873  -2.348  -2.348
  275    HA   CYS  39           HA       CYS  39  -4.512  -1.813  -1.813
  276   1HB   CYS  39          1HB       CYS  39  -6.853  -2.452  -2.452
  277   2HB   CYS  39          2HB       CYS  39  -7.207  -0.768  -0.768
  278    H    LYS  40           H        LYS  40  -5.791   0.441   0.441
  279    HA   LYS  40           HA       LYS  40  -5.033   2.898   2.898
  280   1HB   LYS  40          1HB       LYS  40  -5.574   2.299   2.299
  281   2HB   LYS  40          2HB       LYS  40  -5.416   3.904   3.904
  282   1HG   LYS  40          1HG       LYS  40  -7.346   3.290   3.290
  283   2HG   LYS  40          2HG       LYS  40  -7.575   1.823   1.823
  284   1HD   LYS  40          1HD       LYS  40  -9.085   3.347   3.347
  285   2HD   LYS  40          2HD       LYS  40  -7.743   3.299   3.299
  286   1HE   LYS  40          1HE       LYS  40  -7.106   5.418   5.418
  287   2HE   LYS  40          2HE       LYS  40  -8.849   5.515   5.515
  288   1HZ   LYS  40          1HZ       LYS  40  -8.290   5.476   5.476
  289   2HZ   LYS  40          2HZ       LYS  40  -6.751   5.798   5.798
  290   3HZ   LYS  40          3HZ       LYS  40  -7.934   6.843   6.843
  291    H    LEU  41           H        LEU  41  -3.449   0.676   0.676
  292    HA   LEU  41           HA       LEU  41  -1.187   2.368   2.368
  293   1HB   LEU  41          1HB       LEU  41  -1.864   0.378   0.378
  294   2HB   LEU  41          2HB       LEU  41  -1.235  -0.679  -0.679
  295    HG   LEU  41           HG       LEU  41   0.614   1.458   1.458
  296   1HD1  LEU  41          1HD1      LEU  41  -0.210  -1.036  -1.036
  297   2HD1  LEU  41          2HD1      LEU  41   1.253  -0.087  -0.087
  298   3HD1  LEU  41          3HD1      LEU  41  -0.341   0.654   0.654
  299   1HD2  LEU  41          2HD2      LEU  41   1.266  -0.192  -0.192
  300   2HD2  LEU  41          3HD2      LEU  41   2.280  -0.306  -0.306
  301   3HD2  LEU  41          1HD2      LEU  41   1.004  -1.504  -1.504
  302    H    CYS  42           H        CYS  42  -1.823  -0.216  -0.216
  303    HA   CYS  42           HA       CYS  42   0.318   0.152   0.152
  304   1HB   CYS  42          1HB       CYS  42  -2.155  -1.140  -1.140
  305   2HB   CYS  42          2HB       CYS  42  -1.856  -0.235  -0.235
  306    H    LEU  43           H        LEU  43  -2.718   1.953   1.953
  307    HA   LEU  43           HA       LEU  43  -1.884   3.756   3.756
  308   1HB   LEU  43          1HB       LEU  43  -3.790   3.955   3.955
  309   2HB   LEU  43          2HB       LEU  43  -3.755   5.198   5.198
  310    HG   LEU  43           HG       LEU  43  -4.467   2.266   2.266
  311   1HD1  LEU  43          1HD1      LEU  43  -6.112   4.813   4.813
  312   2HD1  LEU  43          2HD1      LEU  43  -6.688   3.174   3.174
  313   3HD1  LEU  43          3HD1      LEU  43  -6.207   3.575   3.575
  314   1HD2  LEU  43          3HD2      LEU  43  -4.189   4.501   4.501
  315   2HD2  LEU  43          1HD2      LEU  43  -3.387   2.919   2.919
  316   3HD2  LEU  43          2HD2      LEU  43  -5.123   3.022   3.022
  317    H    ALA  44           H        ALA  44  -1.271   3.881   3.881
  318    HA   ALA  44           HA       ALA  44  -0.048   6.467   6.467
  319   1HB   ALA  44          1HB       ALA  44  -0.942   5.335   5.335
  320   2HB   ALA  44          2HB       ALA  44   0.463   4.248   4.248
  321   3HB   ALA  44          3HB       ALA  44   0.700   5.989   5.989
  322    H    ARG  45           H        ARG  45   1.336   3.141   3.141
  323    HA   ARG  45           HA       ARG  45   4.078   3.885   3.885
  324   1HB   ARG  45          1HB       ARG  45   2.525   1.751   1.751
  325   2HB   ARG  45          2HB       ARG  45   4.240   1.969   1.969
  326   1HG   ARG  45          1HG       ARG  45   4.706   0.815   0.815
  327   2HG   ARG  45          2HG       ARG  45   3.630   1.844   1.844
  328   1HD   ARG  45          1HD       ARG  45   2.880  -0.554  -0.554
  329   2HD   ARG  45          2HD       ARG  45   1.777   0.554   0.554
  330    HE   ARG  45           HE       ARG  45   2.074  -0.429  -0.429
  331   1HH1  ARG  45          2HH2      ARG  45   4.484  -1.658  -1.658
  332   2HH1  ARG  45          1HH2      ARG  45   5.235  -2.638  -2.638
  333   1HH2  ARG  45          2HH1      ARG  45   2.813  -2.081  -2.081
  334   2HH2  ARG  45          1HH1      ARG  45   3.602  -3.445  -3.445
  335    H    ILE  46           H        ILE  46   1.517   3.809   3.809
  336    HA   ILE  46           HA       ILE  46   3.324   4.535   4.535
  337    HB   ILE  46           HB       ILE  46   0.278   4.636   4.636
  338   1HG1  ILE  46          1HG1      ILE  46   2.103   2.679   2.679
  339   2HG1  ILE  46          2HG1      ILE  46   1.491   2.388   2.388
  340   1HG2  ILE  46          3HG2      ILE  46   2.027   5.015   5.015
  341   2HG2  ILE  46          1HG2      ILE  46   0.264   4.814   4.814
  342   3HG2  ILE  46          2HG2      ILE  46   0.961   6.235   6.235
  343   1HD1  ILE  46          1HD1      ILE  46  -0.858   2.600   2.600
  344   2HD1  ILE  46          2HD1      ILE  46  -0.167   2.611   2.611
  345   3HD1  ILE  46          3HD1      ILE  46   0.058   1.206   1.206
  346    H    GLU  47           H        GLU  47   1.125   6.607   6.607
  347    HA   GLU  47           HA       GLU  47   2.174   8.808   8.808
  348   1HB   GLU  47          1HB       GLU  47   0.403   8.923   8.923
  349   2HB   GLU  47          2HB       GLU  47   1.100  10.360  10.360
  350   1HG   GLU  47          1HG       GLU  47  -0.504   8.267   8.267
  351   2HG   GLU  47          2HG       GLU  47  -1.161   9.767   9.767
  352    H    ASN  48           H        ASN  48   3.129   7.496   7.496
  353    HA   ASN  48           HA       ASN  48   5.119   9.540   9.540
  354   1HB   ASN  48          1HB       ASN  48   4.831   6.688   6.688
  355   2HB   ASN  48          2HB       ASN  48   6.123   7.781   7.781
  356   1HD2  ASN  48          2HD2      ASN  48   2.435   8.260   8.260
  357   2HD2  ASN  48          1HD2      ASN  48   2.644   7.225   7.225
  358    H    LYS  49           H        LYS  49   5.003   6.693   6.693
  359    HA   LYS  49           HA       LYS  49   6.420   5.734   5.734
  360   1HB   LYS  49          1HB       LYS  49   7.813   8.446   8.446
  361   2HB   LYS  49          2HB       LYS  49   8.118   7.156   7.156
  362   1HG   LYS  49          1HG       LYS  49   5.861   7.218   7.218
  363   2HG   LYS  49          2HG       LYS  49   5.344   8.163   8.163
  364   1HD   LYS  49          1HD       LYS  49   6.535  10.137  10.137
  365   2HD   LYS  49          2HD       LYS  49   7.022   9.285   9.285
  366   1HE   LYS  49          1HE       LYS  49   4.963  10.765  10.765
  367   2HE   LYS  49          2HE       LYS  49   4.721   9.078   9.078
  368   1HZ   LYS  49          1HZ       LYS  49   3.919  10.045  10.045
  369   2HZ   LYS  49          2HZ       LYS  49   2.864  10.053  10.053
  370   3HZ   LYS  49          3HZ       LYS  49   3.525   8.651   8.651
  371    H    GLN  50           H        GLN  50   6.552   4.847   4.847
  372    HA   GLN  50           HA       GLN  50   9.351   4.033   4.033
  373   1HB   GLN  50          1HB       GLN  50   7.541   4.908   4.908
  374   2HB   GLN  50          2HB       GLN  50   9.117   4.099   4.099
  375   1HG   GLN  50          1HG       GLN  50  10.051   6.079   6.079
  376   2HG   GLN  50          2HG       GLN  50   8.529   6.918   6.918
  377   1HE2  GLN  50          2HE2      GLN  50  10.857   5.974   5.974
  378   2HE2  GLN  50          1HE2      GLN  50  10.682   4.761   4.761
  379    H    ASP  51           H        ASP  51   9.388   1.782   1.782
  380    HA   ASP  51           HA       ASP  51   6.773   0.412   0.412
  381   1HB   ASP  51          1HB       ASP  51   8.697  -0.589  -0.589
  382   2HB   ASP  51          2HB       ASP  51   9.482  -0.814  -0.814
  383    H    ILE  52           H        ILE  52   6.031   1.742   1.742
  384    HA   ILE  52           HA       ILE  52   6.756   0.975   0.975
  385    HB   ILE  52           HB       ILE  52   3.896   1.549   1.549
  386   1HG1  ILE  52          1HG1      ILE  52   5.898   3.775   3.775
  387   2HG1  ILE  52          2HG1      ILE  52   5.403   3.364   3.364
  388   1HG2  ILE  52          1HG2      ILE  52   4.373   0.888   0.888
  389   2HG2  ILE  52          2HG2      ILE  52   5.512   2.243   2.243
  390   3HG2  ILE  52          3HG2      ILE  52   3.772   2.534   2.534
  391   1HD1  ILE  52          1HD1      ILE  52   3.029   3.783   3.783
  392   2HD1  ILE  52          2HD1      ILE  52   3.560   4.409   4.409
  393   3HD1  ILE  52          3HD1      ILE  52   4.084   5.204   5.204
  394    H    GLN  53           H        GLN  53   5.795  -0.802  -0.802
  395    HA   GLN  53           HA       GLN  53   4.248  -2.808  -2.808
  396   1HB   GLN  53          1HB       GLN  53   6.875  -3.244  -3.244
  397   2HB   GLN  53          2HB       GLN  53   6.346  -3.727  -3.727
  398   1HG   GLN  53          1HG       GLN  53   4.941  -5.427  -5.427
  399   2HG   GLN  53          2HG       GLN  53   5.092  -4.834  -4.834
  400   1HE2  GLN  53          2HE2      GLN  53   7.269  -7.845  -7.845
  401   2HE2  GLN  53          1HE2      GLN  53   5.560  -7.523  -7.523
  402    H    ILE  54           H        ILE  54   3.145  -4.286  -4.286
  403    HA   ILE  54           HA       ILE  54   2.078  -2.632  -2.632
  404    HB   ILE  54           HB       ILE  54   1.699  -5.490  -5.490
  405   1HG1  ILE  54          1HG1      ILE  54  -0.369  -3.313  -3.313
  406   2HG1  ILE  54          2HG1      ILE  54   0.836  -3.617  -3.617
  407   1HG2  ILE  54          1HG2      ILE  54   0.322  -3.868  -3.868
  408   2HG2  ILE  54          2HG2      ILE  54  -0.385  -5.361  -5.361
  409   3HG2  ILE  54          3HG2      ILE  54   1.175  -5.424  -5.424
  410   1HD1  ILE  54          1HD1      ILE  54   0.130  -6.009  -6.009
  411   2HD1  ILE  54          2HD1      ILE  54  -1.220  -5.616  -5.616
  412   3HD1  ILE  54          3HD1      ILE  54  -1.086  -4.840  -4.840
  413    H    VAL  55           H        VAL  55   3.029  -2.717  -2.717
  414    HA   VAL  55           HA       VAL  55   5.326  -4.396  -4.396
  415    HB   VAL  55           HB       VAL  55   3.460  -2.685  -2.685
  416   1HG1  VAL  55          2HG1      VAL  55   6.122  -4.023  -4.023
  417   2HG1  VAL  55          3HG1      VAL  55   5.345  -2.817  -2.817
  418   3HG1  VAL  55          1HG1      VAL  55   4.589  -4.392  -4.392
  419   1HG2  VAL  55          1HG2      VAL  55   4.806  -1.386  -1.386
  420   2HG2  VAL  55          2HG2      VAL  55   5.185  -1.006  -1.006
  421   3HG2  VAL  55          3HG2      VAL  55   6.276  -2.046  -2.046
  422    H    LYS  56           H        LYS  56   1.825  -4.148  -4.148
  423    HA   LYS  56           HA       LYS  56   1.432  -6.936  -6.936
  424   1HB   LYS  56          1HB       LYS  56   1.061  -7.061  -7.061
  425   2HB   LYS  56          2HB       LYS  56   2.732  -6.786  -6.786
  426   1HG   LYS  56          1HG       LYS  56   2.222  -5.511  -5.511
  427   2HG   LYS  56          2HG       LYS  56   2.459  -4.356  -4.356
  428   1HD   LYS  56          1HD       LYS  56   0.046  -3.983  -3.983
  429   2HD   LYS  56          2HD       LYS  56  -0.266  -5.379  -5.379
  430   1HE   LYS  56          1HE       LYS  56  -0.613  -3.067  -3.067
  431   2HE   LYS  56          2HE       LYS  56   0.306  -4.220  -4.220
  432   1HZ   LYS  56          1HZ       LYS  56   1.496  -2.041  -2.041
  433   2HZ   LYS  56          2HZ       LYS  56   1.300  -2.090  -2.090
  434   3HZ   LYS  56          3HZ       LYS  56   2.339  -3.136  -3.136
  435    H    ASP  57           H        ASP  57  -0.710  -7.322  -7.322
  436    HA   ASP  57           HA       ASP  57  -2.802  -6.178  -6.178
  437   1HB   ASP  57          1HB       ASP  57  -2.795  -7.459  -7.459
  438   2HB   ASP  57          2HB       ASP  57  -4.188  -7.297  -7.297
  439    H    GLY  58           H        GLY  58  -4.514  -4.739  -4.739
  440   1HA   GLY  58          1HA       GLY  58  -5.819  -3.419  -3.419
  441   2HA   GLY  58          2HA       GLY  58  -5.011  -4.106  -4.106
  442    H    GLU  59           H        GLU  59  -5.597  -1.794  -1.794
  443    HA   GLU  59           HA       GLU  59  -3.997   0.407   0.407
  444   1HB   GLU  59          1HB       GLU  59  -5.415  -0.145  -0.145
  445   2HB   GLU  59          2HB       GLU  59  -4.829   1.448   1.448
  446   1HG   GLU  59          1HG       GLU  59  -6.473   1.721   1.721
  447   2HG   GLU  59          2HG       GLU  59  -6.761  -0.001  -0.001
  448    H    CYS  60           H        CYS  60  -2.220   1.332   1.332
  449    HA   CYS  60           HA       CYS  60  -0.244  -0.651  -0.651
  450   1HB   CYS  60          1HB       CYS  60  -0.111   2.351   2.351
  451   2HB   CYS  60          2HB       CYS  60   1.306   1.319   1.319

  Start of MODEL    3
    1   1H    GLU   1          2HN       GLU   1  15.584  -7.136  -7.136
    2   2H    GLU   1          3HN       GLU   1  14.866  -8.055  -8.055
    3   3H    GLU   1          1HN       GLU   1  14.857  -8.551  -8.551
    4    HA   GLU   1           HA       GLU   1  13.481  -6.728  -6.728
    5   1HB   GLU   1          1HB       GLU   1  12.626  -8.761  -8.761
    6   2HB   GLU   1          2HB       GLU   1  11.838  -7.268  -7.268
    7   1HG   GLU   1          1HG       GLU   1  11.744  -8.526  -8.526
    8   2HG   GLU   1          2HG       GLU   1  10.465  -8.547  -8.547
    9    H    LYS   2           H        LYS   2  11.893  -5.061  -5.061
   10    HA   LYS   2           HA       LYS   2  13.664  -3.158  -3.158
   11   1HB   LYS   2          1HB       LYS   2  10.747  -3.135  -3.135
   12   2HB   LYS   2          2HB       LYS   2  11.508  -1.826  -1.826
   13   1HG   LYS   2          1HG       LYS   2  13.008  -1.281  -1.281
   14   2HG   LYS   2          2HG       LYS   2  12.667  -2.785  -2.785
   15   1HD   LYS   2          1HD       LYS   2  11.569  -0.850  -0.850
   16   2HD   LYS   2          2HD       LYS   2  10.445  -2.111  -2.111
   17   1HE   LYS   2          1HE       LYS   2   9.527   0.085   0.085
   18   2HE   LYS   2          2HE       LYS   2   9.767  -0.805  -0.805
   19   1HZ   LYS   2          2HZ       LYS   2  11.838   1.073   1.073
   20   2HZ   LYS   2          3HZ       LYS   2  10.468   1.621   1.621
   21   3HZ   LYS   2          1HZ       LYS   2  11.423   0.588   0.588
   22    H    GLN   3           H        GLN   3  10.378  -3.562  -3.562
   23    HA   GLN   3           HA       GLN   3  11.419  -3.792  -3.792
   24   1HB   GLN   3          1HB       GLN   3   8.601  -3.527  -3.527
   25   2HB   GLN   3          2HB       GLN   3   9.034  -3.479  -3.479
   26   1HG   GLN   3          1HG       GLN   3  10.484  -1.543  -1.543
   27   2HG   GLN   3          2HG       GLN   3  10.192  -1.578  -1.578
   28   1HE2  GLN   3          2HE2      GLN   3   7.060  -0.313  -0.313
   29   2HE2  GLN   3          1HE2      GLN   3   8.139  -1.540  -1.540
   30    H    VAL   4           H        VAL   4  10.215  -6.091  -6.091
   31    HA   VAL   4           HA       VAL   4   9.641  -8.165  -8.165
   32    HB   VAL   4           HB       VAL   4  11.615  -8.467  -8.467
   33   1HG1  VAL   4          2HG1      VAL   4   9.486  -8.353  -8.353
   34   2HG1  VAL   4          3HG1      VAL   4  10.420  -9.830  -9.830
   35   3HG1  VAL   4          1HG1      VAL   4  11.245  -8.275  -8.275
   36   1HG2  VAL   4          2HG2      VAL   4  10.573 -10.225 -10.225
   37   2HG2  VAL   4          3HG2      VAL   4  11.264 -10.839 -10.839
   38   3HG2  VAL   4          1HG2      VAL   4   9.513 -10.653 -10.653
   39    H    PHE   5           H        PHE   5   7.961  -9.614  -9.614
   40    HA   PHE   5           HA       PHE   5   5.795 -10.015 -10.015
   41   1HB   PHE   5          1HB       PHE   5   5.851  -7.912  -7.912
   42   2HB   PHE   5          2HB       PHE   5   4.386  -8.671  -8.671
   43    HD1  PHE   5          1HD       PHE   5   7.395 -10.874 -10.874
   44    HD2  PHE   5          1HD       PHE   5   4.010  -9.351  -9.351
   45    HE1  PHE   5          1HE       PHE   5   7.379 -12.886 -12.886
   46    HE2  PHE   5          2HE       PHE   5   3.930 -11.474 -11.474
   47    HZ   PHE   5           HZ       PHE   5   5.545 -13.299 -13.299
   48    H    SER   6           H        SER   6   7.281  -7.592  -7.592
   49    HA   SER   6           HA       SER   6   5.220  -6.081  -6.081
   50   1HB   SER   6          1HB       SER   6   7.243  -5.964  -5.964
   51   2HB   SER   6          2HB       SER   6   7.264  -5.130  -5.130
   52    HG   SER   6           HG       SER   6   9.159  -6.480  -6.480
   53    H    ARG   7           H        ARG   7   4.459  -6.530  -6.530
   54    HA   ARG   7           HA       ARG   7   4.627  -9.165  -9.165
   55   1HB   ARG   7          1HB       ARG   7   2.190  -9.621  -9.621
   56   2HB   ARG   7          2HB       ARG   7   2.840  -9.634  -9.634
   57   1HG   ARG   7          1HG       ARG   7   2.083  -7.308  -7.308
   58   2HG   ARG   7          2HG       ARG   7   1.367  -7.340  -7.340
   59   1HD   ARG   7          1HD       ARG   7  -0.508  -7.750  -7.750
   60   2HD   ARG   7          2HD       ARG   7   0.036  -9.428  -9.428
   61    HE   ARG   7           HE       ARG   7   1.246  -8.726  -8.726
   62   1HH1  ARG   7          2HH2      ARG   7  -2.166  -8.058  -8.058
   63   2HH1  ARG   7          1HH2      ARG   7  -2.737  -8.262  -8.262
   64   1HH2  ARG   7          2HH1      ARG   7   0.384  -9.179  -9.179
   65   2HH2  ARG   7          1HH1      ARG   7  -1.291  -8.907  -8.907
   66    H    MET   8           H        MET   8   3.827  -8.999  -8.999
   67    HA   MET   8           HA       MET   8   4.300  -6.241  -6.241
   68   1HB   MET   8          1HB       MET   8   4.454  -7.485  -7.485
   69   2HB   MET   8          2HB       MET   8   5.809  -7.466  -7.466
   70   1HG   MET   8          1HG       MET   8   3.848  -9.767  -9.767
   71   2HG   MET   8          2HG       MET   8   5.286  -9.686  -9.686
   72   1HE   MET   8          3HE       MET   8   5.660 -12.121 -12.121
   73   2HE   MET   8          1HE       MET   8   5.955 -12.407 -12.407
   74   3HE   MET   8          2HE       MET   8   4.350 -11.908 -11.908
   75    HA   PRO   9           HA       PRO   9  -0.135  -6.338  -6.338
   76   1HB   PRO   9          1HB       PRO   9  -0.609  -3.826  -3.826
   77   2HB   PRO   9          2HB       PRO   9  -0.117  -4.180  -4.180
   78   1HG   PRO   9          1HG       PRO   9   1.685  -3.312  -3.312
   79   2HG   PRO   9          2HG       PRO   9   1.599  -2.607  -2.607
   80   1HD   PRO   9          1HD       PRO   9   3.467  -4.457  -4.457
   81   2HD   PRO   9          2HD       PRO   9   2.656  -4.497  -4.497
   82    H    ILE  10           H        ILE  10  -1.195  -7.231  -7.231
   83    HA   ILE  10           HA       ILE  10  -0.466  -6.755  -6.755
   84    HB   ILE  10           HB       ILE  10  -2.884  -8.001  -8.001
   85   1HG1  ILE  10          1HG1      ILE  10  -0.648  -9.222  -9.222
   86   2HG1  ILE  10          2HG1      ILE  10  -2.000 -10.117 -10.117
   87   1HG2  ILE  10          3HG2      ILE  10  -2.250  -7.745  -7.745
   88   2HG2  ILE  10          1HG2      ILE  10  -3.473  -8.843  -8.843
   89   3HG2  ILE  10          2HG2      ILE  10  -3.648  -7.098  -7.098
   90   1HD1  ILE  10          1HD1      ILE  10   0.206  -8.799  -8.799
   91   2HD1  ILE  10          2HD1      ILE  10   0.044 -10.517 -10.517
   92   3HD1  ILE  10          3HD1      ILE  10  -1.146  -9.757  -9.757
   93    H    CYS  11           H        CYS  11  -1.535  -5.200  -5.200
   94    HA   CYS  11           HA       CYS  11  -3.234  -3.189  -3.189
   95   1HB   CYS  11          1HB       CYS  11  -0.693  -2.773  -2.773
   96   2HB   CYS  11          2HB       CYS  11  -1.814  -1.533  -1.533
   97    H    GLU  12           H        GLU  12  -3.934  -1.632  -1.632
   98    HA   GLU  12           HA       GLU  12  -5.491  -3.291  -3.291
   99   1HB   GLU  12          1HB       GLU  12  -6.535  -1.239  -1.239
  100   2HB   GLU  12          2HB       GLU  12  -6.442  -1.357  -1.357
  101   1HG   GLU  12          1HG       GLU  12  -4.401   0.302   0.302
  102   2HG   GLU  12          2HG       GLU  12  -6.017   0.911   0.911
  103    H    HIS  13           H        HIS  13  -3.660  -4.376  -4.376
  104    HA   HIS  13           HA       HIS  13  -2.214  -3.016  -3.016
  105   1HB   HIS  13          1HB       HIS  13  -2.863  -5.953  -5.953
  106   2HB   HIS  13          2HB       HIS  13  -1.561  -5.201  -5.201
  107    HD1  HIS  13           HD1      HIS  13  -1.311  -7.457  -7.457
  108    HD2  HIS  13           HD2      HIS  13  -0.661  -3.285  -3.285
  109    HE1  HIS  13           HE1      HIS  13   0.127  -7.087  -7.087
  110    HE2  HIS  13           HE2      HIS  13   0.565  -4.575  -4.575
  111    H    MET  14           H        MET  14  -5.213  -5.016  -5.016
  112    HA   MET  14           HA       MET  14  -6.257  -3.956  -3.956
  113   1HB   MET  14          1HB       MET  14  -7.562  -5.296  -5.296
  114   2HB   MET  14          2HB       MET  14  -8.403  -4.812  -4.812
  115   1HG   MET  14          1HG       MET  14  -6.100  -6.773  -6.773
  116   2HG   MET  14          2HG       MET  14  -7.776  -7.246  -7.246
  117   1HE   MET  14          3HE       MET  14  -7.412  -8.965  -8.965
  118   2HE   MET  14          1HE       MET  14  -6.842  -8.514  -8.514
  119   3HE   MET  14          2HE       MET  14  -5.743  -8.386  -8.386
  120    H    THR  15           H        THR  15  -5.966  -1.652  -1.652
  121    HA   THR  15           HA       THR  15  -6.759  -0.277  -0.277
  122    HB   THR  15           HB       THR  15  -6.702   1.664   1.664
  123    HG1  THR  15           HG1      THR  15  -5.559   1.184   1.184
  124   1HG2  THR  15          3HG2      THR  15  -4.870   1.022   1.022
  125   2HG2  THR  15          1HG2      THR  15  -4.195  -0.047  -0.047
  126   3HG2  THR  15          2HG2      THR  15  -4.238   1.706   1.706
  127    H    GLU  16           H        GLU  16  -8.354  -1.323  -1.323
  128    HA   GLU  16           HA       GLU  16 -10.962  -0.224  -0.224
  129   1HB   GLU  16          1HB       GLU  16 -10.096  -2.222  -2.222
  130   2HB   GLU  16          2HB       GLU  16 -11.708  -1.567  -1.567
  131   1HG   GLU  16          1HG       GLU  16  -9.390   0.392   0.392
  132   2HG   GLU  16          2HG       GLU  16  -9.960  -0.504  -0.504
  133    H    SER  17           H        SER  17 -10.494  -1.132  -1.132
  134    HA   SER  17           HA       SER  17 -12.343  -3.227  -3.227
  135   1HB   SER  17          1HB       SER  17  -9.416  -3.696  -3.696
  136   2HB   SER  17          2HB       SER  17 -10.750  -4.545  -4.545
  137    HG   SER  17           HG       SER  17 -11.074  -4.770  -4.770
  138    HA   PRO  18           HA       PRO  18 -11.535   0.398   0.398
  139   1HB   PRO  18          1HB       PRO  18 -14.136   0.758   0.758
  140   2HB   PRO  18          2HB       PRO  18 -13.458   1.491   1.491
  141   1HG   PRO  18          1HG       PRO  18 -15.094  -1.019  -1.019
  142   2HG   PRO  18          2HG       PRO  18 -15.291   0.321   0.321
  143   1HD   PRO  18          1HD       PRO  18 -14.018  -1.959  -1.959
  144   2HD   PRO  18          2HD       PRO  18 -13.389  -0.394  -0.394
  145    H    ASP  19           H        ASP  19 -10.457  -0.536  -0.536
  146    HA   ASP  19           HA       ASP  19 -11.825  -2.471  -2.471
  147   1HB   ASP  19          1HB       ASP  19  -9.891  -3.931  -3.931
  148   2HB   ASP  19          2HB       ASP  19 -10.403  -3.705  -3.705
  149    H    CYS  20           H        CYS  20 -11.205   0.342   0.342
  150    HA   CYS  20           HA       CYS  20 -10.051   0.337   0.337
  151   1HB   CYS  20          1HB       CYS  20 -10.596   2.491   2.491
  152   2HB   CYS  20          2HB       CYS  20 -10.992   2.859   2.859
  153    H    SER  21           H        SER  21 -11.658  -1.358  -1.358
  154    HA   SER  21           HA       SER  21 -14.479  -0.889  -0.889
  155   1HB   SER  21          1HB       SER  21 -14.358  -2.928  -2.928
  156   2HB   SER  21          2HB       SER  21 -13.666  -3.090  -3.090
  157    HG   SER  21           HG       SER  21 -11.961  -3.694  -3.694
  158    H    ARG  22           H        ARG  22 -15.845  -0.792  -0.792
  159    HA   ARG  22           HA       ARG  22 -14.627   0.817   0.817
  160   1HB   ARG  22          1HB       ARG  22 -17.577   0.521   0.521
  161   2HB   ARG  22          2HB       ARG  22 -16.860   1.664   1.664
  162   1HG   ARG  22          1HG       ARG  22 -16.142   1.802   1.802
  163   2HG   ARG  22          2HG       ARG  22 -17.465   2.684   2.684
  164   1HD   ARG  22          1HD       ARG  22 -16.087   3.942   3.942
  165   2HD   ARG  22          2HD       ARG  22 -14.733   2.848   2.848
  166    HE   ARG  22           HE       ARG  22 -15.616   4.655   4.655
  167   1HH1  ARG  22          2HH2      ARG  22 -13.151   2.233   2.233
  168   2HH1  ARG  22          1HH2      ARG  22 -11.798   3.179   3.179
  169   1HH2  ARG  22          2HH1      ARG  22 -13.792   5.840   5.840
  170   2HH2  ARG  22          1HH1      ARG  22 -12.182   5.215   5.215
  171    H    ILE  23           H        ILE  23 -14.051  -1.877  -1.877
  172    HA   ILE  23           HA       ILE  23 -15.284  -3.287  -3.287
  173    HB   ILE  23           HB       ILE  23 -12.822  -3.671  -3.671
  174   1HG1  ILE  23          1HG1      ILE  23 -15.360  -5.346  -5.346
  175   2HG1  ILE  23          2HG1      ILE  23 -15.202  -4.005  -4.005
  176   1HG2  ILE  23          2HG2      ILE  23 -12.384  -4.686  -4.686
  177   2HG2  ILE  23          3HG2      ILE  23 -13.917  -5.583  -5.583
  178   3HG2  ILE  23          1HG2      ILE  23 -12.587  -5.910  -5.910
  179   1HD1  ILE  23          1HD1      ILE  23 -13.115  -5.115  -5.115
  180   2HD1  ILE  23          2HD1      ILE  23 -13.563  -6.549  -6.549
  181   3HD1  ILE  23          3HD1      ILE  23 -14.657  -5.926  -5.926
  182    H    TYR  24           H        TYR  24 -14.290  -3.327  -3.327
  183    HA   TYR  24           HA       TYR  24 -12.149  -1.303  -1.303
  184   1HB   TYR  24          1HB       TYR  24 -14.173  -1.119  -1.119
  185   2HB   TYR  24          2HB       TYR  24 -14.043  -2.812  -2.812
  186    HD1  TYR  24           HD2      TYR  24 -12.207   0.465   0.465
  187    HD2  TYR  24           HD1      TYR  24 -12.800  -3.409  -3.409
  188    HE1  TYR  24           HE2      TYR  24 -10.891   1.175   1.175
  189    HE2  TYR  24           HE1      TYR  24 -11.453  -2.704  -2.704
  190    HH   TYR  24           HH       TYR  24 -10.152   0.608   0.608
  191    H    ASP  25           H        ASP  25 -10.258  -2.354  -2.354
  192    HA   ASP  25           HA       ASP  25  -9.625  -4.811  -4.811
  193   1HB   ASP  25          1HB       ASP  25 -10.200  -5.655  -5.655
  194   2HB   ASP  25          2HB       ASP  25  -8.999  -4.566  -4.566
  195    HA   PRO  26           HA       PRO  26  -7.033  -1.078  -1.078
  196   1HB   PRO  26          1HB       PRO  26  -6.410  -0.973  -0.973
  197   2HB   PRO  26          2HB       PRO  26  -7.903  -0.319  -0.319
  198   1HG   PRO  26          1HG       PRO  26  -7.557  -3.070  -3.070
  199   2HG   PRO  26          2HG       PRO  26  -8.817  -1.852  -1.852
  200   1HD   PRO  26          1HD       PRO  26  -9.196  -3.929  -3.929
  201   2HD   PRO  26          2HD       PRO  26  -9.832  -2.315  -2.315
  202    H    VAL  27           H        VAL  27  -4.761  -0.779  -0.779
  203    HA   VAL  27           HA       VAL  27  -3.082  -2.969  -2.969
  204    HB   VAL  27           HB       VAL  27  -1.829  -2.899  -2.899
  205   1HG1  VAL  27          2HG1      VAL  27  -3.417  -4.765  -4.765
  206   2HG1  VAL  27          3HG1      VAL  27  -4.685  -3.882  -3.882
  207   3HG1  VAL  27          1HG1      VAL  27  -3.236  -4.425  -4.425
  208   1HG2  VAL  27          3HG2      VAL  27  -2.649  -0.789  -0.789
  209   2HG2  VAL  27          1HG2      VAL  27  -2.944  -2.123  -2.123
  210   3HG2  VAL  27          2HG2      VAL  27  -4.284  -1.473  -1.473
  211    H    CYS  28           H        CYS  28  -0.883  -2.231  -2.231
  212    HA   CYS  28           HA       CYS  28  -0.517   0.719   0.719
  213   1HB   CYS  28          1HB       CYS  28  -0.143  -0.248  -0.248
  214   2HB   CYS  28          2HB       CYS  28   1.182  -1.251  -1.251
  215    H    GLY  29           H        GLY  29   0.704   1.523   1.523
  216   1HA   GLY  29          1HA       GLY  29   2.168  -0.178  -0.178
  217   2HA   GLY  29          2HA       GLY  29   2.084   1.585   1.585
  218    H    THR  30           H        THR  30   4.480   0.079   0.079
  219    HA   THR  30           HA       THR  30   6.184   0.057   0.057
  220    HB   THR  30           HB       THR  30   7.942   0.507   0.507
  221    HG1  THR  30           HG1      THR  30   6.623   1.236   1.236
  222   1HG2  THR  30          2HG2      THR  30   6.155  -1.963  -1.963
  223   2HG2  THR  30          3HG2      THR  30   7.681  -1.878  -1.878
  224   3HG2  THR  30          1HG2      THR  30   7.673  -1.697  -1.697
  225    H    ASP  31           H        ASP  31   4.800   2.785   2.785
  226    HA   ASP  31           HA       ASP  31   6.842   4.679   4.679
  227   1HB   ASP  31          1HB       ASP  31   5.379   6.347   6.347
  228   2HB   ASP  31          2HB       ASP  31   5.389   5.008   5.008
  229    H    GLY  32           H        GLY  32   4.254   2.947   2.947
  230   1HA   GLY  32          1HA       GLY  32   4.069   2.927   2.927
  231   2HA   GLY  32          2HA       GLY  32   4.612   4.596   4.596
  232    H    VAL  33           H        VAL  33   2.486   4.526   4.526
  233    HA   VAL  33           HA       VAL  33   0.467   5.858   5.858
  234    HB   VAL  33           HB       VAL  33   0.919   5.621   5.621
  235   1HG1  VAL  33          3HG1      VAL  33  -1.236   7.119   7.119
  236   2HG1  VAL  33          1HG1      VAL  33  -0.792   7.426   7.426
  237   3HG1  VAL  33          2HG1      VAL  33  -1.444   5.857   5.857
  238   1HG2  VAL  33          2HG2      VAL  33   1.262   7.882   7.882
  239   2HG2  VAL  33          3HG2      VAL  33   2.545   7.037   7.037
  240   3HG2  VAL  33          1HG2      VAL  33   1.399   8.071   8.071
  241    H    THR  34           H        THR  34  -1.653   5.204   5.204
  242    HA   THR  34           HA       THR  34  -2.285   2.381   2.381
  243    HB   THR  34           HB       THR  34  -3.916   4.709   4.709
  244    HG1  THR  34           HG1      THR  34  -2.023   3.986   3.986
  245   1HG2  THR  34          2HG2      THR  34  -4.527   1.732   1.732
  246   2HG2  THR  34          3HG2      THR  34  -5.426   3.030   3.030
  247   3HG2  THR  34          1HG2      THR  34  -5.409   2.971   2.971
  248    H    TYR  35           H        TYR  35  -3.658   1.654   1.654
  249    HA   TYR  35           HA       TYR  35  -5.158   3.635   3.635
  250   1HB   TYR  35          1HB       TYR  35  -3.620   1.221   1.221
  251   2HB   TYR  35          2HB       TYR  35  -4.656   2.265   2.265
  252    HD1  TYR  35           HD2      TYR  35  -1.423   1.991   1.991
  253    HD2  TYR  35           HD1      TYR  35  -3.878   4.580   4.580
  254    HE1  TYR  35           HE2      TYR  35   0.463   3.543   3.543
  255    HE2  TYR  35           HE1      TYR  35  -1.912   6.007   6.007
  256    HH   TYR  35           HH       TYR  35   1.218   5.681   5.681
  257    H    GLU  36           H        GLU  36  -7.306   3.070   3.070
  258    HA   GLU  36           HA       GLU  36  -8.191   0.873   0.873
  259   1HB   GLU  36          1HB       GLU  36  -9.835   2.546   2.546
  260   2HB   GLU  36          2HB       GLU  36 -10.369   1.633   1.633
  261   1HG   GLU  36          1HG       GLU  36 -10.357   3.754   3.754
  262   2HG   GLU  36          2HG       GLU  36  -8.748   3.229   3.229
  263    H    SER  37           H        SER  37  -7.315   1.096   1.096
  264    HA   SER  37           HA       SER  37  -8.247  -1.602  -1.602
  265   1HB   SER  37          1HB       SER  37  -9.209  -0.477  -0.477
  266   2HB   SER  37          2HB       SER  37 -10.216  -0.644  -0.644
  267    HG   SER  37           HG       SER  37  -9.749   1.482   1.482
  268    H    GLU  38           H        GLU  38  -6.589  -2.528  -2.528
  269    HA   GLU  38           HA       GLU  38  -4.193  -1.063  -1.063
  270   1HB   GLU  38          1HB       GLU  38  -4.519  -3.488  -3.488
  271   2HB   GLU  38          2HB       GLU  38  -3.143  -2.929  -2.929
  272   1HG   GLU  38          1HG       GLU  38  -3.807  -4.576  -4.576
  273   2HG   GLU  38          2HG       GLU  38  -4.949  -3.391  -3.391
  274    H    CYS  39           H        CYS  39  -6.655  -1.344  -1.344
  275    HA   CYS  39           HA       CYS  39  -5.325  -0.535  -0.535
  276   1HB   CYS  39          1HB       CYS  39  -7.723  -0.856  -0.856
  277   2HB   CYS  39          2HB       CYS  39  -7.897   0.567   0.567
  278    H    LYS  40           H        LYS  40  -6.146   1.464   1.464
  279    HA   LYS  40           HA       LYS  40  -5.175   3.998   3.998
  280   1HB   LYS  40          1HB       LYS  40  -5.280   3.172   3.172
  281   2HB   LYS  40          2HB       LYS  40  -5.227   4.814   4.814
  282   1HG   LYS  40          1HG       LYS  40  -7.555   4.421   4.421
  283   2HG   LYS  40          2HG       LYS  40  -7.522   2.807   2.807
  284   1HD   LYS  40          1HD       LYS  40  -8.641   4.076   4.076
  285   2HD   LYS  40          2HD       LYS  40  -6.991   3.967   3.967
  286   1HE   LYS  40          1HE       LYS  40  -6.672   6.308   6.308
  287   2HE   LYS  40          2HE       LYS  40  -8.437   6.310   6.310
  288   1HZ   LYS  40          1HZ       LYS  40  -8.165   5.937   5.937
  289   2HZ   LYS  40          2HZ       LYS  40  -6.628   6.389   6.389
  290   3HZ   LYS  40          3HZ       LYS  40  -7.829   7.434   7.434
  291    H    LEU  41           H        LEU  41  -3.617   1.280   1.280
  292    HA   LEU  41           HA       LEU  41  -1.123   2.690   2.690
  293   1HB   LEU  41          1HB       LEU  41  -1.794   0.756   0.756
  294   2HB   LEU  41          2HB       LEU  41  -1.747  -0.306  -0.306
  295    HG   LEU  41           HG       LEU  41   0.728   1.271   1.271
  296   1HD1  LEU  41          1HD1      LEU  41  -0.333  -1.173  -1.173
  297   2HD1  LEU  41          2HD1      LEU  41   1.380  -0.696  -0.696
  298   3HD1  LEU  41          3HD1      LEU  41   0.131   0.383   0.383
  299   1HD2  LEU  41          2HD2      LEU  41   0.224  -1.515  -1.515
  300   2HD2  LEU  41          3HD2      LEU  41   0.821  -0.114  -0.114
  301   3HD2  LEU  41          1HD2      LEU  41   1.831  -0.849  -0.849
  302    H    CYS  42           H        CYS  42  -2.368   0.427   0.427
  303    HA   CYS  42           HA       CYS  42  -0.167   0.283   0.283
  304   1HB   CYS  42          1HB       CYS  42  -3.174   0.108   0.108
  305   2HB   CYS  42          2HB       CYS  42  -2.148   0.112   0.112
  306    H    LEU  43           H        LEU  43  -2.948   2.548   2.548
  307    HA   LEU  43           HA       LEU  43  -2.120   4.332   4.332
  308   1HB   LEU  43          1HB       LEU  43  -3.698   4.566   4.566
  309   2HB   LEU  43          2HB       LEU  43  -3.391   6.024   6.024
  310    HG   LEU  43           HG       LEU  43  -4.610   3.562   3.562
  311   1HD1  LEU  43          3HD1      LEU  43  -6.042   5.821   5.821
  312   2HD1  LEU  43          1HD1      LEU  43  -6.822   4.749   4.749
  313   3HD1  LEU  43          2HD1      LEU  43  -6.160   4.073   4.073
  314   1HD2  LEU  43          1HD2      LEU  43  -3.693   5.447   5.447
  315   2HD2  LEU  43          2HD2      LEU  43  -5.447   5.223   5.223
  316   3HD2  LEU  43          3HD2      LEU  43  -4.808   6.542   6.542
  317    H    ALA  44           H        ALA  44  -1.377   4.588   4.588
  318    HA   ALA  44           HA       ALA  44   0.436   6.710   6.710
  319   1HB   ALA  44          2HB       ALA  44  -0.457   5.829   5.829
  320   2HB   ALA  44          3HB       ALA  44   0.576   4.395   4.395
  321   3HB   ALA  44          1HB       ALA  44   1.309   5.993   5.993
  322    H    ARG  45           H        ARG  45   1.009   3.252   3.252
  323    HA   ARG  45           HA       ARG  45   3.855   3.321   3.321
  324   1HB   ARG  45          1HB       ARG  45   2.075   1.365   1.365
  325   2HB   ARG  45          2HB       ARG  45   2.106   1.437   1.437
  326   1HG   ARG  45          1HG       ARG  45   4.451   0.865   0.865
  327   2HG   ARG  45          2HG       ARG  45   4.566   1.071   1.071
  328   1HD   ARG  45          1HD       ARG  45   2.818  -0.749  -0.749
  329   2HD   ARG  45          2HD       ARG  45   2.918  -1.063  -1.063
  330    HE   ARG  45           HE       ARG  45   5.122  -1.355  -1.355
  331   1HH1  ARG  45          2HH2      ARG  45   3.658  -2.747  -2.747
  332   2HH1  ARG  45          1HH2      ARG  45   4.714  -4.138  -4.138
  333   1HH2  ARG  45          2HH1      ARG  45   6.770  -2.947  -2.947
  334   2HH2  ARG  45          1HH1      ARG  45   6.382  -4.239  -4.239
  335    H    ILE  46           H        ILE  46   1.243   4.069   4.069
  336    HA   ILE  46           HA       ILE  46   3.108   4.538   4.538
  337    HB   ILE  46           HB       ILE  46   0.276   5.618   5.618
  338   1HG1  ILE  46          1HG1      ILE  46   1.049   3.111   3.111
  339   2HG1  ILE  46          2HG1      ILE  46   0.379   3.072   3.072
  340   1HG2  ILE  46          2HG2      ILE  46   1.669   6.778   6.778
  341   2HG2  ILE  46          3HG2      ILE  46   1.990   5.221   5.221
  342   3HG2  ILE  46          1HG2      ILE  46   0.348   5.892   5.892
  343   1HD1  ILE  46          2HD1      ILE  46  -1.576   4.466   4.466
  344   2HD1  ILE  46          3HD1      ILE  46  -1.005   4.093   4.093
  345   3HD1  ILE  46          1HD1      ILE  46  -1.474   2.788   2.788
  346    H    GLU  47           H        GLU  47   1.155   6.729   6.729
  347    HA   GLU  47           HA       GLU  47   2.191   9.044   9.044
  348   1HB   GLU  47          1HB       GLU  47   1.320   8.671   8.671
  349   2HB   GLU  47          2HB       GLU  47   1.469  10.191  10.191
  350   1HG   GLU  47          1HG       GLU  47  -0.194   9.229   9.229
  351   2HG   GLU  47          2HG       GLU  47  -0.521   7.938   7.938
  352    H    ASN  48           H        ASN  48   3.431   7.232   7.232
  353    HA   ASN  48           HA       ASN  48   5.645   9.067   9.067
  354   1HB   ASN  48          1HB       ASN  48   5.100   6.283   6.283
  355   2HB   ASN  48          2HB       ASN  48   6.473   7.287   7.287
  356   1HD2  ASN  48          2HD2      ASN  48   2.825   8.261   8.261
  357   2HD2  ASN  48          1HD2      ASN  48   2.926   7.209   7.209
  358    H    LYS  49           H        LYS  49   5.148   6.394   6.394
  359    HA   LYS  49           HA       LYS  49   6.545   5.036   5.036
  360   1HB   LYS  49          1HB       LYS  49   8.086   7.674   7.674
  361   2HB   LYS  49          2HB       LYS  49   8.663   6.326   6.326
  362   1HG   LYS  49          1HG       LYS  49   5.880   7.367   7.367
  363   2HG   LYS  49          2HG       LYS  49   7.272   8.149   8.149
  364   1HD   LYS  49          1HD       LYS  49   6.207   6.669   6.669
  365   2HD   LYS  49          2HD       LYS  49   7.898   6.281   6.281
  366   1HE   LYS  49          1HE       LYS  49   5.698   4.803   4.803
  367   2HE   LYS  49          2HE       LYS  49   6.041   4.378   4.378
  368   1HZ   LYS  49          1HZ       LYS  49   8.381   4.405   4.405
  369   2HZ   LYS  49          2HZ       LYS  49   7.287   3.178   3.178
  370   3HZ   LYS  49          3HZ       LYS  49   8.029   3.489   3.489
  371    H    GLN  50           H        GLN  50   6.582   4.390   4.390
  372    HA   GLN  50           HA       GLN  50   9.466   3.802   3.802
  373   1HB   GLN  50          1HB       GLN  50   7.161   4.429   4.429
  374   2HB   GLN  50          2HB       GLN  50   8.704   3.747   3.747
  375   1HG   GLN  50          1HG       GLN  50   8.433   6.407   6.407
  376   2HG   GLN  50          2HG       GLN  50   8.548   6.221   6.221
  377   1HE2  GLN  50          2HE2      GLN  50  12.068   5.737   5.737
  378   2HE2  GLN  50          1HE2      GLN  50  10.613   5.759   5.759
  379    H    ASP  51           H        ASP  51   9.836   1.831   1.831
  380    HA   ASP  51           HA       ASP  51   8.076  -0.346  -0.346
  381   1HB   ASP  51          1HB       ASP  51  10.536  -0.677  -0.677
  382   2HB   ASP  51          2HB       ASP  51  10.603  -0.421  -0.421
  383    H    ILE  52           H        ILE  52   6.285   0.701   0.701
  384    HA   ILE  52           HA       ILE  52   6.431   0.565   0.565
  385    HB   ILE  52           HB       ILE  52   3.964   0.844   0.844
  386   1HG1  ILE  52          1HG1      ILE  52   5.877   2.895   2.895
  387   2HG1  ILE  52          2HG1      ILE  52   5.530   2.646   2.646
  388   1HG2  ILE  52          1HG2      ILE  52   3.552   0.159   0.159
  389   2HG2  ILE  52          2HG2      ILE  52   4.378   1.651   1.651
  390   3HG2  ILE  52          3HG2      ILE  52   2.894   1.705   1.705
  391   1HD1  ILE  52          2HD1      ILE  52   3.099   3.296   3.296
  392   2HD1  ILE  52          3HD1      ILE  52   3.776   3.905   3.905
  393   3HD1  ILE  52          1HD1      ILE  52   4.331   4.578   4.578
  394    H    GLN  53           H        GLN  53   5.488  -1.103  -1.103
  395    HA   GLN  53           HA       GLN  53   3.973  -3.259  -3.259
  396   1HB   GLN  53          1HB       GLN  53   6.527  -3.780  -3.780
  397   2HB   GLN  53          2HB       GLN  53   5.220  -4.946  -4.946
  398   1HG   GLN  53          1HG       GLN  53   5.458  -4.525  -4.525
  399   2HG   GLN  53          2HG       GLN  53   7.036  -3.893  -3.893
  400   1HE2  GLN  53          2HE2      GLN  53   7.901  -7.316  -7.316
  401   2HE2  GLN  53          1HE2      GLN  53   7.707  -5.768  -5.768
  402    H    ILE  54           H        ILE  54   2.960  -4.639  -4.639
  403    HA   ILE  54           HA       ILE  54   1.762  -2.818  -2.818
  404    HB   ILE  54           HB       ILE  54   1.072  -5.522  -5.522
  405   1HG1  ILE  54          1HG1      ILE  54  -0.749  -3.167  -3.167
  406   2HG1  ILE  54          2HG1      ILE  54   0.560  -3.320  -3.320
  407   1HG2  ILE  54          2HG2      ILE  54  -0.085  -4.093  -4.093
  408   2HG2  ILE  54          3HG2      ILE  54  -1.048  -5.276  -5.276
  409   3HG2  ILE  54          1HG2      ILE  54   0.433  -5.774  -5.774
  410   1HD1  ILE  54          2HD1      ILE  54  -1.561  -5.443  -5.443
  411   2HD1  ILE  54          3HD1      ILE  54  -1.482  -4.323  -4.323
  412   3HD1  ILE  54          1HD1      ILE  54  -0.222  -5.544  -5.544
  413    H    VAL  55           H        VAL  55   2.919  -2.783  -2.783
  414    HA   VAL  55           HA       VAL  55   4.838  -4.879  -4.879
  415    HB   VAL  55           HB       VAL  55   3.823  -2.490  -2.490
  416   1HG1  VAL  55          3HG1      VAL  55   6.262  -4.281  -4.281
  417   2HG1  VAL  55          1HG1      VAL  55   5.949  -2.756  -2.756
  418   3HG1  VAL  55          2HG1      VAL  55   4.872  -4.124  -4.124
  419   1HG2  VAL  55          2HG2      VAL  55   6.290  -2.890  -2.890
  420   2HG2  VAL  55          3HG2      VAL  55   4.896  -1.846  -1.846
  421   3HG2  VAL  55          1HG2      VAL  55   5.934  -1.473  -1.473
  422    H    LYS  56           H        LYS  56   1.543  -4.005  -4.005
  423    HA   LYS  56           HA       LYS  56   1.160  -6.705  -6.705
  424   1HB   LYS  56          1HB       LYS  56   0.232  -6.058  -6.058
  425   2HB   LYS  56          2HB       LYS  56   1.981  -6.091  -6.091
  426   1HG   LYS  56          1HG       LYS  56   2.188  -3.762  -3.762
  427   2HG   LYS  56          2HG       LYS  56   0.519  -3.473  -3.473
  428   1HD   LYS  56          1HD       LYS  56  -0.440  -4.117  -4.117
  429   2HD   LYS  56          2HD       LYS  56   1.050  -4.860  -4.860
  430   1HE   LYS  56          1HE       LYS  56   2.095  -2.793  -2.793
  431   2HE   LYS  56          2HE       LYS  56   1.070  -1.931  -1.931
  432   1HZ   LYS  56          1HZ       LYS  56   0.125  -2.972  -2.972
  433   2HZ   LYS  56          2HZ       LYS  56   0.577  -1.410  -1.410
  434   3HZ   LYS  56          3HZ       LYS  56  -0.728  -2.008  -2.008
  435    H    ASP  57           H        ASP  57  -1.070  -7.041  -7.041
  436    HA   ASP  57           HA       ASP  57  -3.024  -5.538  -5.538
  437   1HB   ASP  57          1HB       ASP  57  -3.325  -7.401  -7.401
  438   2HB   ASP  57          2HB       ASP  57  -4.628  -6.868  -6.868
  439    H    GLY  58           H        GLY  58  -4.617  -4.228  -4.228
  440   1HA   GLY  58          1HA       GLY  58  -5.531  -2.801  -2.801
  441   2HA   GLY  58          2HA       GLY  58  -4.699  -3.598  -3.598
  442    H    GLU  59           H        GLU  59  -4.976  -1.217  -1.217
  443    HA   GLU  59           HA       GLU  59  -3.461   0.831   0.831
  444   1HB   GLU  59          1HB       GLU  59  -4.374   0.724   0.724
  445   2HB   GLU  59          2HB       GLU  59  -4.014   2.150   2.150
  446   1HG   GLU  59          1HG       GLU  59  -5.920   1.453   1.453
  447   2HG   GLU  59          2HG       GLU  59  -6.356   0.211   0.211
  448    H    CYS  60           H        CYS  60  -1.623   1.986   1.986
  449    HA   CYS  60           HA       CYS  60   0.455   0.083   0.083
  450   1HB   CYS  60          1HB       CYS  60   0.471   2.684   2.684
  451   2HB   CYS  60          2HB       CYS  60   1.365   2.612   2.612

  Start of MODEL    4
    1   1H    GLU   1          1HN       GLU   1   2.879 -11.428 -11.428
    2   2H    GLU   1          2HN       GLU   1   4.270 -11.102 -11.102
    3   3H    GLU   1          3HN       GLU   1   3.150  -9.894  -9.894
    4    HA   GLU   1           HA       GLU   1   3.614  -9.828  -9.828
    5   1HB   GLU   1          1HB       GLU   1   5.843  -9.298  -9.298
    6   2HB   GLU   1          2HB       GLU   1   5.494  -8.936  -8.936
    7   1HG   GLU   1          1HG       GLU   1   7.072 -11.317 -11.317
    8   2HG   GLU   1          2HG       GLU   1   7.719  -9.845  -9.845
    9    H    LYS   2           H        LYS   2   5.268 -12.740 -12.740
   10    HA   LYS   2           HA       LYS   2   6.127 -14.493 -14.493
   11   1HB   LYS   2          1HB       LYS   2   4.824 -15.982 -15.982
   12   2HB   LYS   2          2HB       LYS   2   3.802 -15.306 -15.306
   13   1HG   LYS   2          1HG       LYS   2   2.352 -14.312 -14.312
   14   2HG   LYS   2          2HG       LYS   2   3.607 -13.956 -13.956
   15   1HD   LYS   2          1HD       LYS   2   2.129 -15.603 -15.603
   16   2HD   LYS   2          2HD       LYS   2   3.765 -16.215 -16.215
   17   1HE   LYS   2          1HE       LYS   2   2.224 -17.976 -17.976
   18   2HE   LYS   2          2HE       LYS   2   3.110 -17.486 -17.486
   19   1HZ   LYS   2          3HZ       LYS   2   1.164 -16.148 -16.148
   20   2HZ   LYS   2          1HZ       LYS   2   0.334 -16.738 -16.738
   21   3HZ   LYS   2          2HZ       LYS   2   0.852 -17.730 -17.730
   22    H    GLN   3           H        GLN   3   5.739 -15.297 -15.297
   23    HA   GLN   3           HA       GLN   3   7.698 -13.512 -13.512
   24   1HB   GLN   3          1HB       GLN   3   7.571 -15.929 -15.929
   25   2HB   GLN   3          2HB       GLN   3   5.951 -15.706 -15.706
   26   1HG   GLN   3          1HG       GLN   3   7.571 -15.883 -15.883
   27   2HG   GLN   3          2HG       GLN   3   6.894 -14.251 -14.251
   28   1HE2  GLN   3          2HE2      GLN   3  10.325 -13.345 -13.345
   29   2HE2  GLN   3          1HE2      GLN   3   8.850 -13.696 -13.696
   30    H    VAL   4           H        VAL   4   6.488 -11.518 -11.518
   31    HA   VAL   4           HA       VAL   4   4.602 -10.848 -10.848
   32    HB   VAL   4           HB       VAL   4   5.122  -9.614  -9.614
   33   1HG1  VAL   4          1HG1      VAL   4   4.069  -8.120  -8.120
   34   2HG1  VAL   4          2HG1      VAL   4   3.792  -7.608  -7.608
   35   3HG1  VAL   4          3HG1      VAL   4   5.432  -7.653  -7.653
   36   1HG2  VAL   4          3HG2      VAL   4   3.143 -11.217 -11.217
   37   2HG2  VAL   4          1HG2      VAL   4   2.761  -9.718  -9.718
   38   3HG2  VAL   4          2HG2      VAL   4   2.523  -9.808  -9.808
   39    H    PHE   5           H        PHE   5   5.870 -10.488 -10.488
   40    HA   PHE   5           HA       PHE   5   7.904  -8.382  -8.382
   41   1HB   PHE   5          1HB       PHE   5   8.429 -11.168 -11.168
   42   2HB   PHE   5          2HB       PHE   5   9.208  -9.754  -9.754
   43    HD1  PHE   5          1HD       PHE   5   8.778 -11.593 -11.593
   44    HD2  PHE   5          1HD       PHE   5  10.972  -8.582  -8.582
   45    HE1  PHE   5          1HE       PHE   5  10.382 -11.416 -11.416
   46    HE2  PHE   5          2HE       PHE   5  12.538  -8.372  -8.372
   47    HZ   PHE   5           HZ       PHE   5  12.308  -9.823  -9.823
   48    H    SER   6           H        SER   6   7.983  -7.208  -7.208
   49    HA   SER   6           HA       SER   6   5.363  -6.877  -6.877
   50   1HB   SER   6          1HB       SER   6   6.427  -5.426  -5.426
   51   2HB   SER   6          2HB       SER   6   6.706  -4.963  -4.963
   52    HG   SER   6           HG       SER   6   8.669  -4.957  -4.957
   53    H    ARG   7           H        ARG   7   4.140  -7.151  -7.151
   54    HA   ARG   7           HA       ARG   7   4.870  -9.570  -9.570
   55   1HB   ARG   7          1HB       ARG   7   2.349  -9.764  -9.764
   56   2HB   ARG   7          2HB       ARG   7   3.131 -10.417 -10.417
   57   1HG   ARG   7          1HG       ARG   7   2.347  -8.634  -8.634
   58   2HG   ARG   7          2HG       ARG   7   1.724  -7.719  -7.719
   59   1HD   ARG   7          1HD       ARG   7   0.004  -9.299  -9.299
   60   2HD   ARG   7          2HD       ARG   7   0.773 -10.558 -10.558
   61    HE   ARG   7           HE       ARG   7  -1.063  -8.503  -8.503
   62   1HH1  ARG   7          2HH2      ARG   7   1.280 -11.081 -11.081
   63   2HH1  ARG   7          1HH2      ARG   7   1.008 -10.746 -10.746
   64   1HH2  ARG   7          2HH1      ARG   7  -1.636  -8.560  -8.560
   65   2HH2  ARG   7          1HH1      ARG   7  -0.971  -9.634  -9.634
   66    H    MET   8           H        MET   8   5.526  -8.797  -8.797
   67    HA   MET   8           HA       MET   8   4.954  -6.312  -6.312
   68   1HB   MET   8          1HB       MET   8   5.732  -8.984  -8.984
   69   2HB   MET   8          2HB       MET   8   5.329  -7.688  -7.688
   70   1HG   MET   8          1HG       MET   8   7.481  -7.549  -7.549
   71   2HG   MET   8          2HG       MET   8   7.762  -7.690  -7.690
   72   1HE   MET   8          1HE       MET   8   6.978  -5.756  -5.756
   73   2HE   MET   8          2HE       MET   8   5.378  -5.596  -5.596
   74   3HE   MET   8          3HE       MET   8   6.372  -4.173  -4.173
   75    HA   PRO   9           HA       PRO   9   0.679  -6.979  -6.979
   76   1HB   PRO   9          1HB       PRO   9  -0.214  -4.693  -4.693
   77   2HB   PRO   9          2HB       PRO   9   0.252  -4.809  -4.809
   78   1HG   PRO   9          1HG       PRO   9   1.944  -3.694  -3.694
   79   2HG   PRO   9          2HG       PRO   9   1.769  -3.106  -3.106
   80   1HD   PRO   9          1HD       PRO   9   3.881  -4.648  -4.648
   81   2HD   PRO   9          2HD       PRO   9   3.157  -4.781  -4.781
   82    H    ILE  10           H        ILE  10  -0.865  -7.764  -7.764
   83    HA   ILE  10           HA       ILE  10   0.303  -8.557  -8.557
   84    HB   ILE  10           HB       ILE  10  -1.988  -9.687  -9.687
   85   1HG1  ILE  10          1HG1      ILE  10   0.455 -10.078 -10.078
   86   2HG1  ILE  10          2HG1      ILE  10  -0.685 -11.404 -11.404
   87   1HG2  ILE  10          3HG2      ILE  10  -0.758 -10.523 -10.523
   88   2HG2  ILE  10          1HG2      ILE  10  -1.790 -11.585 -11.585
   89   3HG2  ILE  10          2HG2      ILE  10  -2.431 -10.085 -10.085
   90   1HD1  ILE  10          2HD1      ILE  10   1.370 -10.795 -10.795
   91   2HD1  ILE  10          3HD1      ILE  10   1.596 -11.964 -11.964
   92   3HD1  ILE  10          1HD1      ILE  10   0.342 -12.235 -12.235
   93    H    CYS  11           H        CYS  11   0.045  -6.669  -6.669
   94    HA   CYS  11           HA       CYS  11  -2.708  -5.669  -5.669
   95   1HB   CYS  11          1HB       CYS  11  -0.273  -4.146  -4.146
   96   2HB   CYS  11          2HB       CYS  11  -1.672  -3.445  -3.445
   97    H    GLU  12           H        GLU  12  -2.116  -6.980  -6.980
   98    HA   GLU  12           HA       GLU  12  -0.521  -5.625  -5.625
   99   1HB   GLU  12          1HB       GLU  12   0.694  -7.539  -7.539
  100   2HB   GLU  12          2HB       GLU  12  -0.218  -8.623  -8.623
  101   1HG   GLU  12          1HG       GLU  12   1.716  -6.424  -6.424
  102   2HG   GLU  12          2HG       GLU  12   2.118  -8.132  -8.132
  103    H    HIS  13           H        HIS  13  -2.921  -8.151  -8.151
  104    HA   HIS  13           HA       HIS  13  -4.422  -7.363  -7.363
  105   1HB   HIS  13          1HB       HIS  13  -3.508 -10.202 -10.202
  106   2HB   HIS  13          2HB       HIS  13  -5.052  -9.876  -9.876
  107    HD1  HIS  13           HD1      HIS  13  -1.292  -8.955  -8.955
  108    HD2  HIS  13           HD2      HIS  13  -5.073  -9.165  -9.165
  109    HE1  HIS  13           HE1      HIS  13  -0.957  -8.209  -8.209
  110    HE2  HIS  13           HE2      HIS  13  -3.263  -8.306  -8.306
  111    H    MET  14           H        MET  14  -6.773  -7.858  -7.858
  112    HA   MET  14           HA       MET  14  -7.448  -7.625  -7.625
  113   1HB   MET  14          1HB       MET  14  -9.180  -8.047  -8.047
  114   2HB   MET  14          2HB       MET  14  -9.784  -7.724  -7.724
  115   1HG   MET  14          1HG       MET  14  -8.467  -5.556  -5.556
  116   2HG   MET  14          2HG       MET  14  -8.201  -5.837  -5.837
  117   1HE   MET  14          1HE       MET  14 -10.404  -6.455  -6.455
  118   2HE   MET  14          2HE       MET  14 -11.299  -7.341  -7.341
  119   3HE   MET  14          3HE       MET  14 -12.050  -5.963  -5.963
  120    H    THR  15           H        THR  15  -6.048  -9.847  -9.847
  121    HA   THR  15           HA       THR  15  -7.827 -12.204 -12.204
  122    HB   THR  15           HB       THR  15  -5.849 -13.133 -13.133
  123    HG1  THR  15           HG1      THR  15  -6.487 -13.814 -13.814
  124   1HG2  THR  15          3HG2      THR  15  -4.434 -10.917 -10.917
  125   2HG2  THR  15          1HG2      THR  15  -3.658 -12.319 -12.319
  126   3HG2  THR  15          2HG2      THR  15  -4.475 -11.145 -11.145
  127    H    GLU  16           H        GLU  16  -6.306  -9.954  -9.954
  128    HA   GLU  16           HA       GLU  16  -7.716 -10.347 -10.347
  129   1HB   GLU  16          1HB       GLU  16  -6.963  -7.798  -7.798
  130   2HB   GLU  16          2HB       GLU  16  -7.837  -7.727  -7.727
  131   1HG   GLU  16          1HG       GLU  16  -5.417  -7.573  -7.573
  132   2HG   GLU  16          2HG       GLU  16  -6.099  -9.004  -9.004
  133    H    SER  17           H        SER  17  -8.877  -8.557  -8.557
  134    HA   SER  17           HA       SER  17 -10.962  -8.483  -8.483
  135   1HB   SER  17          1HB       SER  17 -12.318  -9.199  -9.199
  136   2HB   SER  17          2HB       SER  17 -13.036  -9.116  -9.116
  137    HG   SER  17           HG       SER  17 -10.941 -10.903 -10.903
  138    HA   PRO  18           HA       PRO  18 -10.686  -4.365  -4.365
  139   1HB   PRO  18          1HB       PRO  18 -13.013  -3.153  -3.153
  140   2HB   PRO  18          2HB       PRO  18 -11.681  -3.766  -3.766
  141   1HG   PRO  18          1HG       PRO  18 -14.313  -5.081  -5.081
  142   2HG   PRO  18          2HG       PRO  18 -13.383  -5.098  -5.098
  143   1HD   PRO  18          1HD       PRO  18 -13.413  -7.189  -7.189
  144   2HD   PRO  18          2HD       PRO  18 -12.027  -6.840  -6.840
  145    H    ASP  19           H        ASP  19 -10.576  -3.570  -3.570
  146    HA   ASP  19           HA       ASP  19 -13.091  -2.985  -2.985
  147   1HB   ASP  19          1HB       ASP  19 -12.354  -4.016  -4.016
  148   2HB   ASP  19          2HB       ASP  19 -11.759  -5.161  -5.161
  149    H    CYS  20           H        CYS  20 -11.315  -1.326  -1.326
  150    HA   CYS  20           HA       CYS  20 -10.434   0.695   0.695
  151   1HB   CYS  20          1HB       CYS  20 -10.226   0.527   0.527
  152   2HB   CYS  20          2HB       CYS  20 -10.366   2.105   2.105
  153    H    SER  21           H        SER  21 -12.592   0.350   0.350
  154    HA   SER  21           HA       SER  21 -14.844   1.900   1.900
  155   1HB   SER  21          1HB       SER  21 -15.296  -0.490  -0.490
  156   2HB   SER  21          2HB       SER  21 -14.748  -0.418  -0.418
  157    HG   SER  21           HG       SER  21 -17.041   0.907   0.907
  158    H    ARG  22           H        ARG  22 -16.104   2.150   2.150
  159    HA   ARG  22           HA       ARG  22 -14.400   3.789   3.789
  160   1HB   ARG  22          1HB       ARG  22 -17.343   3.690   3.690
  161   2HB   ARG  22          2HB       ARG  22 -16.857   4.284   4.284
  162   1HG   ARG  22          1HG       ARG  22 -15.454   5.423   5.423
  163   2HG   ARG  22          2HG       ARG  22 -17.136   5.851   5.851
  164   1HD   ARG  22          1HD       ARG  22 -14.834   6.211   6.211
  165   2HD   ARG  22          2HD       ARG  22 -15.545   7.491   7.491
  166    HE   ARG  22           HE       ARG  22 -17.593   7.388   7.388
  167   1HH1  ARG  22          2HH2      ARG  22 -14.915   5.786   5.786
  168   2HH1  ARG  22          1HH2      ARG  22 -15.882   5.366   5.366
  169   1HH2  ARG  22          2HH1      ARG  22 -18.757   7.023   7.023
  170   2HH2  ARG  22          1HH1      ARG  22 -18.209   5.796   5.796
  171    H    ILE  23           H        ILE  23 -14.173   0.801   0.801
  172    HA   ILE  23           HA       ILE  23 -15.658  -0.043  -0.043
  173    HB   ILE  23           HB       ILE  23 -13.599  -1.474  -1.474
  174   1HG1  ILE  23          1HG1      ILE  23 -16.612  -1.826  -1.826
  175   2HG1  ILE  23          2HG1      ILE  23 -15.853  -1.094  -1.094
  176   1HG2  ILE  23          3HG2      ILE  23 -15.118  -2.469  -2.469
  177   2HG2  ILE  23          1HG2      ILE  23 -14.138  -3.474  -3.474
  178   3HG2  ILE  23          2HG2      ILE  23 -13.365  -2.234  -2.234
  179   1HD1  ILE  23          1HD1      ILE  23 -14.620  -3.302  -3.302
  180   2HD1  ILE  23          2HD1      ILE  23 -15.718  -3.980  -3.980
  181   3HD1  ILE  23          3HD1      ILE  23 -16.376  -3.330  -3.330
  182    H    TYR  24           H        TYR  24 -14.762  -0.198  -0.198
  183    HA   TYR  24           HA       TYR  24 -12.258   1.343   1.343
  184   1HB   TYR  24          1HB       TYR  24 -14.545   1.702   1.702
  185   2HB   TYR  24          2HB       TYR  24 -14.243   0.223   0.223
  186    HD1  TYR  24           HD1      TYR  24 -11.933   0.102   0.102
  187    HD2  TYR  24           HD2      TYR  24 -14.025   3.690   3.690
  188    HE1  TYR  24           HE1      TYR  24 -10.858   1.337   1.337
  189    HE2  TYR  24           HE2      TYR  24 -13.080   4.851   4.851
  190    HH   TYR  24           HH       TYR  24 -10.404   3.587   3.587
  191    H    ASP  25           H        ASP  25 -10.559  -0.190  -0.190
  192    HA   ASP  25           HA       ASP  25 -10.489  -2.524  -2.524
  193   1HB   ASP  25          1HB       ASP  25 -11.431  -3.385  -3.385
  194   2HB   ASP  25          2HB       ASP  25  -9.950  -2.843  -2.843
  195    HA   PRO  26           HA       PRO  26  -6.906   0.102   0.102
  196   1HB   PRO  26          1HB       PRO  26  -6.034   0.222   0.222
  197   2HB   PRO  26          2HB       PRO  26  -7.008   1.430   1.430
  198   1HG   PRO  26          1HG       PRO  26  -7.902  -0.822  -0.822
  199   2HG   PRO  26          2HG       PRO  26  -8.580   0.843   0.843
  200   1HD   PRO  26          1HD       PRO  26  -9.798  -1.300  -1.300
  201   2HD   PRO  26          2HD       PRO  26  -9.732   0.282   0.282
  202    H    VAL  27           H        VAL  27  -4.633  -0.220  -0.220
  203    HA   VAL  27           HA       VAL  27  -3.535  -2.720  -2.720
  204    HB   VAL  27           HB       VAL  27  -2.423  -3.261  -3.261
  205   1HG1  VAL  27          1HG1      VAL  27  -4.658  -4.305  -4.305
  206   2HG1  VAL  27          2HG1      VAL  27  -5.425  -3.061  -3.061
  207   3HG1  VAL  27          3HG1      VAL  27  -4.289  -4.205  -4.205
  208   1HG2  VAL  27          3HG2      VAL  27  -2.364  -1.014  -1.014
  209   2HG2  VAL  27          1HG2      VAL  27  -3.098  -2.213  -2.213
  210   3HG2  VAL  27          2HG2      VAL  27  -4.128  -1.055  -1.055
  211    H    CYS  28           H        CYS  28  -1.263  -2.548  -2.548
  212    HA   CYS  28           HA       CYS  28  -0.479   0.249   0.249
  213   1HB   CYS  28          1HB       CYS  28  -0.322  -1.414  -1.414
  214   2HB   CYS  28          2HB       CYS  28   0.700  -2.417  -2.417
  215    H    GLY  29           H        GLY  29   0.778   1.337   1.337
  216   1HA   GLY  29          1HA       GLY  29   2.310  -0.035  -0.035
  217   2HA   GLY  29          2HA       GLY  29   2.211   1.700   1.700
  218    H    THR  30           H        THR  30   4.579  -0.155  -0.155
  219    HA   THR  30           HA       THR  30   6.178  -0.198  -0.198
  220    HB   THR  30           HB       THR  30   8.079  -0.183  -0.183
  221    HG1  THR  30           HG1      THR  30   6.821   0.792   0.792
  222   1HG2  THR  30          3HG2      THR  30   5.890  -2.286  -2.286
  223   2HG2  THR  30          1HG2      THR  30   7.522  -2.491  -2.491
  224   3HG2  THR  30          2HG2      THR  30   7.335  -2.205  -2.205
  225    H    ASP  31           H        ASP  31   5.045   2.526   2.526
  226    HA   ASP  31           HA       ASP  31   7.333   4.289   4.289
  227   1HB   ASP  31          1HB       ASP  31   5.723   5.969   5.969
  228   2HB   ASP  31          2HB       ASP  31   5.717   4.605   4.605
  229    H    GLY  32           H        GLY  32   4.670   2.982   2.982
  230   1HA   GLY  32          1HA       GLY  32   4.580   3.083   3.083
  231   2HA   GLY  32          2HA       GLY  32   5.396   4.652   4.652
  232    H    VAL  33           H        VAL  33   2.904   4.113   4.113
  233    HA   VAL  33           HA       VAL  33   0.923   5.624   5.624
  234    HB   VAL  33           HB       VAL  33   1.418   5.721   5.721
  235   1HG1  VAL  33          2HG1      VAL  33  -0.912   6.114   6.114
  236   2HG1  VAL  33          3HG1      VAL  33  -0.406   7.378   7.378
  237   3HG1  VAL  33          1HG1      VAL  33  -0.147   7.569   7.569
  238   1HG2  VAL  33          2HG2      VAL  33   2.141   7.737   7.737
  239   2HG2  VAL  33          3HG2      VAL  33   3.278   6.851   6.851
  240   3HG2  VAL  33          1HG2      VAL  33   2.200   8.062   8.062
  241    H    THR  34           H        THR  34  -1.079   4.708   4.708
  242    HA   THR  34           HA       THR  34  -1.544   2.152   2.152
  243    HB   THR  34           HB       THR  34  -3.399   3.792   3.792
  244    HG1  THR  34           HG1      THR  34  -1.346   1.938   1.938
  245   1HG2  THR  34          1HG2      THR  34  -4.469   1.969   1.969
  246   2HG2  THR  34          2HG2      THR  34  -3.319   0.804   0.804
  247   3HG2  THR  34          3HG2      THR  34  -4.468   1.665   1.665
  248    H    TYR  35           H        TYR  35  -2.697   1.881   1.881
  249    HA   TYR  35           HA       TYR  35  -4.024   4.219   4.219
  250   1HB   TYR  35          1HB       TYR  35  -2.862   1.628   1.628
  251   2HB   TYR  35          2HB       TYR  35  -3.854   2.737   2.737
  252    HD1  TYR  35           HD1      TYR  35  -0.619   2.449   2.449
  253    HD2  TYR  35           HD2      TYR  35  -2.992   4.835   4.835
  254    HE1  TYR  35           HE1      TYR  35   1.255   4.011   4.011
  255    HE2  TYR  35           HE2      TYR  35  -1.088   6.400   6.400
  256    HH   TYR  35           HH       TYR  35   1.944   5.960   5.960
  257    H    GLU  36           H        GLU  36  -6.081   3.599   3.599
  258    HA   GLU  36           HA       GLU  36  -7.762   2.344   2.344
  259   1HB   GLU  36          1HB       GLU  36  -8.589   3.303   3.303
  260   2HB   GLU  36          2HB       GLU  36  -9.528   3.244   3.244
  261   1HG   GLU  36          1HG       GLU  36  -9.082   5.475   5.475
  262   2HG   GLU  36          2HG       GLU  36  -7.628   4.973   4.973
  263    H    SER  37           H        SER  37  -6.049   0.993   0.993
  264    HA   SER  37           HA       SER  37  -7.268  -1.569  -1.569
  265   1HB   SER  37          1HB       SER  37  -8.046  -1.343  -1.343
  266   2HB   SER  37          2HB       SER  37  -9.127  -0.772  -0.772
  267    HG   SER  37           HG       SER  37  -7.239   1.071   1.071
  268    H    GLU  38           H        GLU  38  -6.024  -3.001  -3.001
  269    HA   GLU  38           HA       GLU  38  -3.347  -2.263  -2.263
  270   1HB   GLU  38          1HB       GLU  38  -3.920  -4.550  -4.550
  271   2HB   GLU  38          2HB       GLU  38  -5.226  -4.532  -4.532
  272   1HG   GLU  38          1HG       GLU  38  -3.873  -4.397  -4.397
  273   2HG   GLU  38          2HG       GLU  38  -2.373  -4.122  -4.122
  274    H    CYS  39           H        CYS  39  -6.394  -2.333  -2.333
  275    HA   CYS  39           HA       CYS  39  -5.268  -1.703  -1.703
  276   1HB   CYS  39          1HB       CYS  39  -7.578  -2.349  -2.349
  277   2HB   CYS  39          2HB       CYS  39  -8.003  -0.749  -0.749
  278    H    LYS  40           H        LYS  40  -6.421   0.637   0.637
  279    HA   LYS  40           HA       LYS  40  -5.472   2.943   2.943
  280   1HB   LYS  40          1HB       LYS  40  -6.327   2.752   2.752
  281   2HB   LYS  40          2HB       LYS  40  -5.774   4.189   4.189
  282   1HG   LYS  40          1HG       LYS  40  -7.613   3.798   3.798
  283   2HG   LYS  40          2HG       LYS  40  -8.251   2.565   2.565
  284   1HD   LYS  40          1HD       LYS  40  -9.469   4.594   4.594
  285   2HD   LYS  40          2HD       LYS  40  -8.562   4.314   4.314
  286   1HE   LYS  40          1HE       LYS  40  -7.604   6.177   6.177
  287   2HE   LYS  40          2HE       LYS  40  -8.687   6.714   6.714
  288   1HZ   LYS  40          1HZ       LYS  40  -6.522   5.454   5.454
  289   2HZ   LYS  40          2HZ       LYS  40  -5.908   6.580   6.580
  290   3HZ   LYS  40          3HZ       LYS  40  -7.006   6.926   6.926
  291    H    LEU  41           H        LEU  41  -3.895   0.799   0.799
  292    HA   LEU  41           HA       LEU  41  -1.637   2.547   2.547
  293   1HB   LEU  41          1HB       LEU  41  -2.201   0.630   0.630
  294   2HB   LEU  41          2HB       LEU  41  -1.865  -0.492  -0.492
  295    HG   LEU  41           HG       LEU  41   0.317   1.416   1.416
  296   1HD1  LEU  41          3HD1      LEU  41  -0.549  -1.148  -1.148
  297   2HD1  LEU  41          1HD1      LEU  41   1.009  -0.344  -0.344
  298   3HD1  LEU  41          2HD1      LEU  41  -0.507   0.462   0.462
  299   1HD2  LEU  41          3HD2      LEU  41   0.230  -1.435  -1.435
  300   2HD2  LEU  41          1HD2      LEU  41   0.853   0.010   0.010
  301   3HD2  LEU  41          2HD2      LEU  41   1.700  -0.641  -0.641
  302    H    CYS  42           H        CYS  42  -2.342  -0.076  -0.076
  303    HA   CYS  42           HA       CYS  42   0.051   0.010   0.010
  304   1HB   CYS  42          1HB       CYS  42  -2.750  -1.011  -1.011
  305   2HB   CYS  42          2HB       CYS  42  -1.382  -1.180  -1.180
  306    H    LEU  43           H        LEU  43  -3.038   1.790   1.790
  307    HA   LEU  43           HA       LEU  43  -2.224   3.340   3.340
  308   1HB   LEU  43          1HB       LEU  43  -4.062   3.810   3.810
  309   2HB   LEU  43          2HB       LEU  43  -3.839   5.057   5.057
  310    HG   LEU  43           HG       LEU  43  -5.017   2.306   2.306
  311   1HD1  LEU  43          1HD1      LEU  43  -6.511   3.926   3.926
  312   2HD1  LEU  43          2HD1      LEU  43  -6.183   5.126   5.126
  313   3HD1  LEU  43          3HD1      LEU  43  -7.048   3.631   3.631
  314   1HD2  LEU  43          1HD2      LEU  43  -4.375   4.578   4.578
  315   2HD2  LEU  43          2HD2      LEU  43  -3.825   2.888   2.888
  316   3HD2  LEU  43          3HD2      LEU  43  -5.521   3.271   3.271
  317    H    ALA  44           H        ALA  44  -1.891   4.043   4.043
  318    HA   ALA  44           HA       ALA  44  -0.669   6.544   6.544
  319   1HB   ALA  44          1HB       ALA  44  -1.602   5.799   5.799
  320   2HB   ALA  44          2HB       ALA  44  -0.286   4.618   4.618
  321   3HB   ALA  44          3HB       ALA  44   0.074   6.355   6.355
  322    H    ARG  45           H        ARG  45   0.895   3.358   3.358
  323    HA   ARG  45           HA       ARG  45   3.592   4.299   4.299
  324   1HB   ARG  45          1HB       ARG  45   4.190   2.009   2.009
  325   2HB   ARG  45          2HB       ARG  45   3.051   1.999   1.999
  326   1HG   ARG  45          1HG       ARG  45   1.268   1.717   1.717
  327   2HG   ARG  45          2HG       ARG  45   2.520   1.513   1.513
  328   1HD   ARG  45          1HD       ARG  45   3.328  -0.353  -0.353
  329   2HD   ARG  45          2HD       ARG  45   1.796  -0.406  -0.406
  330    HE   ARG  45           HE       ARG  45   1.176  -0.864  -0.864
  331   1HH1  ARG  45          2HH2      ARG  45   4.627  -1.602  -1.602
  332   2HH1  ARG  45          1HH2      ARG  45   4.910  -2.381  -2.381
  333   1HH2  ARG  45          2HH1      ARG  45   1.670  -2.002  -2.002
  334   2HH2  ARG  45          1HH1      ARG  45   3.141  -2.917  -2.917
  335    H    ILE  46           H        ILE  46   1.308   3.932   3.932
  336    HA   ILE  46           HA       ILE  46   3.332   4.374   4.374
  337    HB   ILE  46           HB       ILE  46   0.319   4.740   4.740
  338   1HG1  ILE  46          1HG1      ILE  46   2.028   2.484   2.484
  339   2HG1  ILE  46          2HG1      ILE  46   1.276   2.373   2.373
  340   1HG2  ILE  46          2HG2      ILE  46   2.402   4.669   4.669
  341   2HG2  ILE  46          3HG2      ILE  46   0.643   4.738   4.738
  342   3HG2  ILE  46          1HG2      ILE  46   1.475   6.092   6.092
  343   1HD1  ILE  46          3HD1      ILE  46  -0.962   2.752   2.752
  344   2HD1  ILE  46          1HD1      ILE  46  -0.225   2.711   2.711
  345   3HD1  ILE  46          2HD1      ILE  46  -0.163   1.278   1.278
  346    H    GLU  47           H        GLU  47   0.762   6.502   6.502
  347    HA   GLU  47           HA       GLU  47   1.561   8.846   8.846
  348   1HB   GLU  47          1HB       GLU  47   0.638   8.773   8.773
  349   2HB   GLU  47          2HB       GLU  47   0.374  10.019  10.019
  350   1HG   GLU  47          1HG       GLU  47  -0.926   7.268   7.268
  351   2HG   GLU  47          2HG       GLU  47  -1.691   8.848   8.848
  352    H    ASN  48           H        ASN  48   2.762   7.471   7.471
  353    HA   ASN  48           HA       ASN  48   4.627   9.597   9.597
  354   1HB   ASN  48          1HB       ASN  48   4.279   6.723   6.723
  355   2HB   ASN  48          2HB       ASN  48   5.604   7.746   7.746
  356   1HD2  ASN  48          2HD2      ASN  48   1.796   8.835   8.835
  357   2HD2  ASN  48          1HD2      ASN  48   2.020   7.877   7.877
  358    H    LYS  49           H        LYS  49   4.768   6.957   6.957
  359    HA   LYS  49           HA       LYS  49   6.401   5.800   5.800
  360   1HB   LYS  49          1HB       LYS  49   7.930   8.421   8.421
  361   2HB   LYS  49          2HB       LYS  49   8.373   7.095   7.095
  362   1HG   LYS  49          1HG       LYS  49   5.742   8.651   8.651
  363   2HG   LYS  49          2HG       LYS  49   7.163   9.021   9.021
  364   1HD   LYS  49          1HD       LYS  49   5.413   6.521   6.521
  365   2HD   LYS  49          2HD       LYS  49   5.626   7.740   7.740
  366   1HE   LYS  49          1HE       LYS  49   7.596   5.625   5.625
  367   2HE   LYS  49          2HE       LYS  49   6.840   5.714   5.714
  368   1HZ   LYS  49          3HZ       LYS  49   8.845   7.655   7.655
  369   2HZ   LYS  49          1HZ       LYS  49   9.119   6.411   6.411
  370   3HZ   LYS  49          2HZ       LYS  49   8.169   7.666   7.666
  371    H    GLN  50           H        GLN  50   6.179   5.261   5.261
  372    HA   GLN  50           HA       GLN  50   8.918   4.272   4.272
  373   1HB   GLN  50          1HB       GLN  50   7.224   5.852   5.852
  374   2HB   GLN  50          2HB       GLN  50   8.245   4.527   4.527
  375   1HG   GLN  50          1HG       GLN  50   9.497   6.684   6.684
  376   2HG   GLN  50          2HG       GLN  50   9.158   6.981   6.981
  377   1HE2  GLN  50          2HE2      GLN  50  12.292   4.557   4.557
  378   2HE2  GLN  50          1HE2      GLN  50  11.266   5.112   5.112
  379    H    ASP  51           H        ASP  51   8.804   2.174   2.174
  380    HA   ASP  51           HA       ASP  51   6.251   0.820   0.820
  381   1HB   ASP  51          1HB       ASP  51   8.404  -0.001  -0.001
  382   2HB   ASP  51          2HB       ASP  51   8.982  -0.282  -0.282
  383    H    ILE  52           H        ILE  52   5.280   1.952   1.952
  384    HA   ILE  52           HA       ILE  52   6.090   1.246   1.246
  385    HB   ILE  52           HB       ILE  52   3.327   2.051   2.051
  386   1HG1  ILE  52          1HG1      ILE  52   5.529   3.806   3.806
  387   2HG1  ILE  52          2HG1      ILE  52   5.110   3.755   3.755
  388   1HG2  ILE  52          3HG2      ILE  52   3.332   0.963   0.963
  389   2HG2  ILE  52          1HG2      ILE  52   4.515   2.164   2.164
  390   3HG2  ILE  52          2HG2      ILE  52   2.877   2.656   2.656
  391   1HD1  ILE  52          1HD1      ILE  52   2.782   4.482   4.482
  392   2HD1  ILE  52          2HD1      ILE  52   3.320   4.743   4.743
  393   3HD1  ILE  52          3HD1      ILE  52   4.049   5.669   5.669
  394    H    GLN  53           H        GLN  53   5.709  -0.640  -0.640
  395    HA   GLN  53           HA       GLN  53   4.258  -2.792  -2.792
  396   1HB   GLN  53          1HB       GLN  53   6.844  -2.823  -2.823
  397   2HB   GLN  53          2HB       GLN  53   6.094  -3.347  -3.347
  398   1HG   GLN  53          1HG       GLN  53   5.034  -5.222  -5.222
  399   2HG   GLN  53          2HG       GLN  53   5.471  -4.604  -4.604
  400   1HE2  GLN  53          2HE2      GLN  53   9.062  -5.447  -5.447
  401   2HE2  GLN  53          1HE2      GLN  53   8.205  -3.969  -3.969
  402    H    ILE  54           H        ILE  54   2.940  -4.169  -4.169
  403    HA   ILE  54           HA       ILE  54   1.735  -2.885  -2.885
  404    HB   ILE  54           HB       ILE  54   1.303  -5.494  -5.494
  405   1HG1  ILE  54          1HG1      ILE  54  -0.498  -3.121  -3.121
  406   2HG1  ILE  54          2HG1      ILE  54   0.422  -3.293  -3.293
  407   1HG2  ILE  54          1HG2      ILE  54  -0.035  -4.579  -4.579
  408   2HG2  ILE  54          2HG2      ILE  54  -0.557  -5.964  -5.964
  409   3HG2  ILE  54          3HG2      ILE  54   1.003  -6.015  -6.015
  410   1HD1  ILE  54          2HD1      ILE  54  -0.823  -5.421  -5.421
  411   2HD1  ILE  54          3HD1      ILE  54  -1.884  -5.034  -5.034
  412   3HD1  ILE  54          1HD1      ILE  54  -1.774  -3.932  -3.932
  413    H    VAL  55           H        VAL  55   2.741  -3.075  -3.075
  414    HA   VAL  55           HA       VAL  55   4.823  -5.093  -5.093
  415    HB   VAL  55           HB       VAL  55   3.276  -3.194  -3.194
  416   1HG1  VAL  55          1HG1      VAL  55   5.649  -5.030  -5.030
  417   2HG1  VAL  55          2HG1      VAL  55   4.974  -3.812  -3.812
  418   3HG1  VAL  55          3HG1      VAL  55   4.013  -5.217  -5.217
  419   1HG2  VAL  55          1HG2      VAL  55   6.101  -3.207  -3.207
  420   2HG2  VAL  55          2HG2      VAL  55   4.810  -2.034  -2.034
  421   3HG2  VAL  55          3HG2      VAL  55   5.512  -2.086  -2.086
  422    H    LYS  56           H        LYS  56   1.402  -4.388  -4.388
  423    HA   LYS  56           HA       LYS  56   0.756  -7.174  -7.174
  424   1HB   LYS  56          1HB       LYS  56   0.239  -6.757  -6.757
  425   2HB   LYS  56          2HB       LYS  56   1.958  -6.522  -6.522
  426   1HG   LYS  56          1HG       LYS  56   1.581  -4.068  -4.068
  427   2HG   LYS  56          2HG       LYS  56  -0.130  -4.270  -4.270
  428   1HD   LYS  56          1HD       LYS  56   2.241  -4.988  -4.988
  429   2HD   LYS  56          2HD       LYS  56   1.368  -3.467  -3.467
  430   1HE   LYS  56          1HE       LYS  56   0.487  -4.639  -4.639
  431   2HE   LYS  56          2HE       LYS  56  -0.755  -4.579  -4.579
  432   1HZ   LYS  56          1HZ       LYS  56   1.039  -6.852  -6.852
  433   2HZ   LYS  56          2HZ       LYS  56  -0.467  -6.745  -6.745
  434   3HZ   LYS  56          3HZ       LYS  56  -0.324  -6.916  -6.916
  435    H    ASP  57           H        ASP  57  -1.555  -7.337  -7.337
  436    HA   ASP  57           HA       ASP  57  -3.077  -5.226  -5.226
  437   1HB   ASP  57          1HB       ASP  57  -3.941  -7.815  -7.815
  438   2HB   ASP  57          2HB       ASP  57  -4.991  -6.720  -6.720
  439    H    GLY  58           H        GLY  58  -4.917  -4.181  -4.181
  440   1HA   GLY  58          1HA       GLY  58  -5.988  -3.195  -3.195
  441   2HA   GLY  58          2HA       GLY  58  -5.202  -4.257  -4.257
  442    H    GLU  59           H        GLU  59  -5.338  -1.820  -1.820
  443    HA   GLU  59           HA       GLU  59  -3.407   0.056   0.056
  444   1HB   GLU  59          1HB       GLU  59  -4.428  -0.195  -0.195
  445   2HB   GLU  59          2HB       GLU  59  -3.780   1.231   1.231
  446   1HG   GLU  59          1HG       GLU  59  -5.767   0.688   0.688
  447   2HG   GLU  59          2HG       GLU  59  -6.476  -0.067  -0.067
  448    H    CYS  60           H        CYS  60  -1.470   0.827   0.827
  449    HA   CYS  60           HA       CYS  60   0.387  -1.332  -1.332
  450   1HB   CYS  60          1HB       CYS  60   0.769   1.515   1.515
  451   2HB   CYS  60          2HB       CYS  60   2.073   0.369   0.369

  Start of MODEL    5
    1   1H    GLU   1          3HN       GLU   1  17.204 -12.184 -12.184
    2   2H    GLU   1          1HN       GLU   1  18.401 -11.232 -11.232
    3   3H    GLU   1          2HN       GLU   1  16.883 -10.650 -10.650
    4    HA   GLU   1           HA       GLU   1  17.249 -11.146 -11.146
    5   1HB   GLU   1          1HB       GLU   1  19.039 -12.899 -12.899
    6   2HB   GLU   1          2HB       GLU   1  17.720 -14.053 -14.053
    7   1HG   GLU   1          1HG       GLU   1  16.964 -13.660 -13.660
    8   2HG   GLU   1          2HG       GLU   1  18.227 -12.450 -12.450
    9    H    LYS   2           H        LYS   2  15.389 -11.486 -11.486
   10    HA   LYS   2           HA       LYS   2  13.459 -13.540 -13.540
   11   1HB   LYS   2          1HB       LYS   2  12.488 -11.266 -11.266
   12   2HB   LYS   2          2HB       LYS   2  12.596 -10.785 -10.785
   13   1HG   LYS   2          1HG       LYS   2  11.136 -13.083 -13.083
   14   2HG   LYS   2          2HG       LYS   2  10.761 -12.785 -12.785
   15   1HD   LYS   2          1HD       LYS   2  10.400 -10.788 -10.788
   16   2HD   LYS   2          2HD       LYS   2   9.123 -11.839 -11.839
   17   1HE   LYS   2          1HE       LYS   2  10.522  -9.760  -9.760
   18   2HE   LYS   2          2HE       LYS   2   9.080  -9.424  -9.424
   19   1HZ   LYS   2          1HZ       LYS   2   7.980 -11.260 -11.260
   20   2HZ   LYS   2          2HZ       LYS   2   9.267 -11.273 -11.273
   21   3HZ   LYS   2          3HZ       LYS   2   8.353  -9.923  -9.923
   22    H    GLN   3           H        GLN   3  12.262 -12.009 -12.009
   23    HA   GLN   3           HA       GLN   3  14.326 -12.628 -12.628
   24   1HB   GLN   3          1HB       GLN   3  11.585 -13.797 -13.797
   25   2HB   GLN   3          2HB       GLN   3  13.062 -14.004 -14.004
   26   1HG   GLN   3          1HG       GLN   3  12.725 -16.041 -16.041
   27   2HG   GLN   3          2HG       GLN   3  14.019 -15.303 -15.303
   28   1HE2  GLN   3          2HE2      GLN   3  10.192 -15.507 -15.507
   29   2HE2  GLN   3          1HE2      GLN   3  10.383 -15.166 -15.166
   30    H    VAL   4           H        VAL   4  10.880 -11.876 -11.876
   31    HA   VAL   4           HA       VAL   4   9.609 -10.145 -10.145
   32    HB   VAL   4           HB       VAL   4  12.070  -8.936  -8.936
   33   1HG1  VAL   4          1HG1      VAL   4  12.355  -8.500  -8.500
   34   2HG1  VAL   4          2HG1      VAL   4  10.865  -7.529  -7.529
   35   3HG1  VAL   4          3HG1      VAL   4  12.285  -7.048  -7.048
   36   1HG2  VAL   4          1HG2      VAL   4   9.960  -8.392  -8.392
   37   2HG2  VAL   4          2HG2      VAL   4  10.812  -6.953  -6.953
   38   3HG2  VAL   4          3HG2      VAL   4   9.407  -7.577  -7.577
   39    H    PHE   5           H        PHE   5   8.620  -8.993  -8.993
   40    HA   PHE   5           HA       PHE   5   9.859  -9.446  -9.446
   41   1HB   PHE   5          1HB       PHE   5   8.209 -10.839 -10.839
   42   2HB   PHE   5          2HB       PHE   5   8.963 -11.714 -11.714
   43    HD1  PHE   5          1HD       PHE   5   5.831  -9.802  -9.802
   44    HD2  PHE   5          1HD       PHE   5   7.633 -12.798 -12.798
   45    HE1  PHE   5          1HE       PHE   5   3.621 -10.802 -10.802
   46    HE2  PHE   5          2HE       PHE   5   5.369 -13.774 -13.774
   47    HZ   PHE   5           HZ       PHE   5   3.420 -12.885 -12.885
   48    H    SER   6           H        SER   6   8.721  -8.398  -8.398
   49    HA   SER   6           HA       SER   6   6.516  -6.552  -6.552
   50   1HB   SER   6          1HB       SER   6   7.450  -5.250  -5.250
   51   2HB   SER   6          2HB       SER   6   8.498  -5.320  -5.320
   52    HG   SER   6           HG       SER   6   8.711  -6.785  -6.785
   53    H    ARG   7           H        ARG   7   5.234  -6.121  -6.121
   54    HA   ARG   7           HA       ARG   7   4.859  -8.644  -8.644
   55   1HB   ARG   7          1HB       ARG   7   2.540  -7.071  -7.071
   56   2HB   ARG   7          2HB       ARG   7   2.471  -8.519  -8.519
   57   1HG   ARG   7          1HG       ARG   7   3.773  -9.659  -9.659
   58   2HG   ARG   7          2HG       ARG   7   3.292  -8.242  -8.242
   59   1HD   ARG   7          1HD       ARG   7   1.472 -10.199 -10.199
   60   2HD   ARG   7          2HD       ARG   7   1.629 -10.060 -10.060
   61    HE   ARG   7           HE       ARG   7   0.367  -8.071  -8.071
   62   1HH1  ARG   7          2HH2      ARG   7   0.614  -9.084  -9.084
   63   2HH1  ARG   7          1HH2      ARG   7  -1.120  -8.805  -8.805
   64   1HH2  ARG   7          2HH1      ARG   7  -1.623  -7.398  -7.398
   65   2HH2  ARG   7          1HH1      ARG   7  -2.368  -7.658  -7.658
   66    H    MET   8           H        MET   8   5.134  -7.972  -7.972
   67    HA   MET   8           HA       MET   8   4.624  -5.226  -5.226
   68   1HB   MET   8          1HB       MET   8   4.697  -5.947  -5.947
   69   2HB   MET   8          2HB       MET   8   6.172  -6.232  -6.232
   70   1HG   MET   8          1HG       MET   8   4.166  -8.442  -8.442
   71   2HG   MET   8          2HG       MET   8   5.480  -7.977  -7.977
   72   1HE   MET   8          3HE       MET   8   5.182 -10.904 -10.904
   73   2HE   MET   8          1HE       MET   8   6.542 -10.296 -10.296
   74   3HE   MET   8          2HE       MET   8   6.861 -11.331 -11.331
   75    HA   PRO   9           HA       PRO   9   0.183  -6.030  -6.030
   76   1HB   PRO   9          1HB       PRO   9  -0.605  -3.702  -3.702
   77   2HB   PRO   9          2HB       PRO   9  -0.319  -3.915  -3.915
   78   1HG   PRO   9          1HG       PRO   9   1.495  -2.437  -2.437
   79   2HG   PRO   9          2HG       PRO   9   1.266  -2.232  -2.232
   80   1HD   PRO   9          1HD       PRO   9   3.451  -3.565  -3.565
   81   2HD   PRO   9          2HD       PRO   9   2.723  -3.804  -3.804
   82    H    ILE  10           H        ILE  10  -0.473  -7.238  -7.238
   83    HA   ILE  10           HA       ILE  10   0.938  -6.983  -6.983
   84    HB   ILE  10           HB       ILE  10  -0.800  -9.283  -9.283
   85   1HG1  ILE  10          1HG1      ILE  10   2.223  -8.864  -8.864
   86   2HG1  ILE  10          2HG1      ILE  10   1.116  -8.955  -8.955
   87   1HG2  ILE  10          2HG2      ILE  10  -0.417  -9.046  -9.046
   88   2HG2  ILE  10          3HG2      ILE  10   1.313  -9.205  -9.205
   89   3HG2  ILE  10          1HG2      ILE  10   0.205 -10.535 -10.535
   90   1HD1  ILE  10          1HD1      ILE  10   0.528 -11.293 -11.293
   91   2HD1  ILE  10          2HD1      ILE  10   1.806 -11.244 -11.244
   92   3HD1  ILE  10          3HD1      ILE  10   2.223 -11.051 -11.051
   93    H    CYS  11           H        CYS  11  -0.285  -5.005  -5.005
   94    HA   CYS  11           HA       CYS  11  -3.157  -5.374  -5.374
   95   1HB   CYS  11          1HB       CYS  11  -1.364  -2.943  -2.943
   96   2HB   CYS  11          2HB       CYS  11  -2.794  -3.173  -3.173
   97    H    GLU  12           H        GLU  12  -2.608  -7.230  -7.230
   98    HA   GLU  12           HA       GLU  12  -1.742  -6.940  -6.940
   99   1HB   GLU  12          1HB       GLU  12  -0.545  -8.723  -8.723
  100   2HB   GLU  12          2HB       GLU  12  -1.994  -9.237  -9.237
  101   1HG   GLU  12          1HG       GLU  12  -2.572  -9.654  -9.654
  102   2HG   GLU  12          2HG       GLU  12  -0.901 -10.157 -10.157
  103    H    HIS  13           H        HIS  13  -3.951  -9.478  -9.478
  104    HA   HIS  13           HA       HIS  13  -6.195  -8.348  -8.348
  105   1HB   HIS  13          1HB       HIS  13  -6.383 -10.660 -10.660
  106   2HB   HIS  13          2HB       HIS  13  -5.824 -10.625 -10.625
  107    HD1  HIS  13           HD1      HIS  13  -7.524 -10.633 -10.633
  108    HD2  HIS  13           HD2      HIS  13  -8.892  -8.954  -8.954
  109    HE1  HIS  13           HE1      HIS  13  -9.799  -9.557  -9.557
  110    HE2  HIS  13           HE2      HIS  13 -10.604  -8.534  -8.534
  111    H    MET  14           H        MET  14  -5.372  -8.534  -8.534
  112    HA   MET  14           HA       MET  14  -7.315  -8.261  -8.261
  113   1HB   MET  14          1HB       MET  14  -5.196  -6.096  -6.096
  114   2HB   MET  14          2HB       MET  14  -6.449  -6.323  -6.323
  115   1HG   MET  14          1HG       MET  14  -5.684  -8.629  -8.629
  116   2HG   MET  14          2HG       MET  14  -4.426  -8.424  -8.424
  117   1HE   MET  14          1HE       MET  14  -5.675  -7.583  -7.583
  118   2HE   MET  14          2HE       MET  14  -4.498  -6.355  -6.355
  119   3HE   MET  14          3HE       MET  14  -5.695  -5.953  -5.953
  120    H    THR  15           H        THR  15  -6.573  -4.893  -4.893
  121    HA   THR  15           HA       THR  15  -9.426  -4.257  -4.257
  122    HB   THR  15           HB       THR  15  -8.597  -2.462  -2.462
  123    HG1  THR  15           HG1      THR  15  -6.487  -3.359  -3.359
  124   1HG2  THR  15          3HG2      THR  15 -10.505  -4.069  -4.069
  125   2HG2  THR  15          1HG2      THR  15  -9.337  -5.260  -5.260
  126   3HG2  THR  15          2HG2      THR  15  -9.601  -3.734  -3.734
  127    H    GLU  16           H        GLU  16  -9.755  -2.296  -2.296
  128    HA   GLU  16           HA       GLU  16  -7.774  -1.591  -1.591
  129   1HB   GLU  16          1HB       GLU  16 -10.541  -0.431  -0.431
  130   2HB   GLU  16          2HB       GLU  16  -9.606  -0.268  -0.268
  131   1HG   GLU  16          1HG       GLU  16  -9.818  -2.650  -2.650
  132   2HG   GLU  16          2HG       GLU  16 -10.627  -2.925  -2.925
  133    H    SER  17           H        SER  17  -9.407   1.242   1.242
  134    HA   SER  17           HA       SER  17  -7.106   2.483   2.483
  135   1HB   SER  17          1HB       SER  17  -6.937   2.453   2.453
  136   2HB   SER  17          2HB       SER  17  -8.328   3.556   3.556
  137    HG   SER  17           HG       SER  17  -6.990   4.854   4.854
  138    HA   PRO  18           HA       PRO  18 -10.587   5.475   5.475
  139   1HB   PRO  18          1HB       PRO  18 -13.138   4.651   4.651
  140   2HB   PRO  18          2HB       PRO  18 -12.469   4.949   4.949
  141   1HG   PRO  18          1HG       PRO  18 -12.796   2.305   2.305
  142   2HG   PRO  18          2HG       PRO  18 -13.237   2.715   2.715
  143   1HD   PRO  18          1HD       PRO  18 -10.861   1.490   1.490
  144   2HD   PRO  18          2HD       PRO  18 -11.046   2.465   2.465
  145    H    ASP  19           H        ASP  19 -12.497   5.009   5.009
  146    HA   ASP  19           HA       ASP  19 -10.890   3.671   3.671
  147   1HB   ASP  19          1HB       ASP  19 -12.885   4.008   4.008
  148   2HB   ASP  19          2HB       ASP  19 -12.262   5.534   5.534
  149    H    CYS  20           H        CYS  20 -10.558   1.847   1.847
  150    HA   CYS  20           HA       CYS  20 -12.161   0.566   0.566
  151   1HB   CYS  20          1HB       CYS  20 -10.301  -1.120  -1.120
  152   2HB   CYS  20          2HB       CYS  20 -10.806  -1.321  -1.321
  153    H    SER  21           H        SER  21 -12.199   0.083   0.083
  154    HA   SER  21           HA       SER  21 -14.924  -0.691  -0.691
  155   1HB   SER  21          1HB       SER  21 -15.035  -2.644  -2.644
  156   2HB   SER  21          2HB       SER  21 -13.834  -2.964  -2.964
  157    HG   SER  21           HG       SER  21 -12.189  -2.582  -2.582
  158    H    ARG  22           H        ARG  22 -16.133   0.101   0.101
  159    HA   ARG  22           HA       ARG  22 -14.690   1.931   1.931
  160   1HB   ARG  22          1HB       ARG  22 -17.610   1.240   1.240
  161   2HB   ARG  22          2HB       ARG  22 -16.997   2.478   2.478
  162   1HG   ARG  22          1HG       ARG  22 -16.023   3.766   3.766
  163   2HG   ARG  22          2HG       ARG  22 -16.433   2.573   2.573
  164   1HD   ARG  22          1HD       ARG  22 -17.877   4.574   4.574
  165   2HD   ARG  22          2HD       ARG  22 -18.785   3.080   3.080
  166    HE   ARG  22           HE       ARG  22 -18.382   5.177   5.177
  167   1HH1  ARG  22          2HH2      ARG  22 -19.737   1.959   1.959
  168   2HH1  ARG  22          1HH2      ARG  22 -20.200   1.705   1.705
  169   1HH2  ARG  22          2HH1      ARG  22 -19.195   4.781   4.781
  170   2HH2  ARG  22          1HH1      ARG  22 -19.950   3.227   3.227
  171    H    ILE  23           H        ILE  23 -14.332  -1.085  -1.085
  172    HA   ILE  23           HA       ILE  23 -15.631  -1.698  -1.698
  173    HB   ILE  23           HB       ILE  23 -13.179  -2.895  -2.895
  174   1HG1  ILE  23          1HG1      ILE  23 -15.224  -2.914  -2.914
  175   2HG1  ILE  23          2HG1      ILE  23 -14.517  -4.457  -4.457
  176   1HG2  ILE  23          2HG2      ILE  23 -13.398  -3.530  -3.530
  177   2HG2  ILE  23          3HG2      ILE  23 -15.066  -4.046  -4.046
  178   3HG2  ILE  23          1HG2      ILE  23 -13.729  -4.908  -4.908
  179   1HD1  ILE  23          2HD1      ILE  23 -16.973  -3.317  -3.317
  180   2HD1  ILE  23          3HD1      ILE  23 -17.019  -4.407  -4.407
  181   3HD1  ILE  23          1HD1      ILE  23 -16.323  -4.976  -4.976
  182    H    TYR  24           H        TYR  24 -14.766  -1.443  -1.443
  183    HA   TYR  24           HA       TYR  24 -12.362   0.248   0.248
  184   1HB   TYR  24          1HB       TYR  24 -14.626   0.721   0.721
  185   2HB   TYR  24          2HB       TYR  24 -14.307  -0.628  -0.628
  186    HD1  TYR  24           HD2      TYR  24 -12.010  -0.483  -0.483
  187    HD2  TYR  24           HD1      TYR  24 -13.823   2.867   2.867
  188    HE1  TYR  24           HE2      TYR  24 -10.637   1.083   1.083
  189    HE2  TYR  24           HE1      TYR  24 -12.443   4.417   4.417
  190    HH   TYR  24           HH       TYR  24  -9.802   3.351   3.351
  191    H    ASP  25           H        ASP  25 -10.793  -1.294  -1.294
  192    HA   ASP  25           HA       ASP  25 -10.352  -3.596  -3.596
  193   1HB   ASP  25          1HB       ASP  25 -11.477  -4.432  -4.432
  194   2HB   ASP  25          2HB       ASP  25 -10.192  -3.731  -3.731
  195    HA   PRO  26           HA       PRO  26  -7.034  -0.548  -0.548
  196   1HB   PRO  26          1HB       PRO  26  -6.316   0.253   0.253
  197   2HB   PRO  26          2HB       PRO  26  -7.770   0.863   0.863
  198   1HG   PRO  26          1HG       PRO  26  -7.614  -1.311  -1.311
  199   2HG   PRO  26          2HG       PRO  26  -8.797   0.026   0.026
  200   1HD   PRO  26          1HD       PRO  26  -9.292  -2.548  -2.548
  201   2HD   PRO  26          2HD       PRO  26 -10.004  -1.080  -1.080
  202    H    VAL  27           H        VAL  27  -4.751  -0.420  -0.420
  203    HA   VAL  27           HA       VAL  27  -3.497  -2.816  -2.816
  204    HB   VAL  27           HB       VAL  27  -2.221  -3.205  -3.205
  205   1HG1  VAL  27          3HG1      VAL  27  -4.347  -4.497  -4.497
  206   2HG1  VAL  27          1HG1      VAL  27  -5.199  -3.395  -3.395
  207   3HG1  VAL  27          2HG1      VAL  27  -3.891  -4.418  -4.418
  208   1HG2  VAL  27          1HG2      VAL  27  -2.463  -0.943  -0.943
  209   2HG2  VAL  27          2HG2      VAL  27  -2.964  -2.223  -2.223
  210   3HG2  VAL  27          3HG2      VAL  27  -4.188  -1.253  -1.253
  211    H    CYS  28           H        CYS  28  -1.251  -2.541  -2.541
  212    HA   CYS  28           HA       CYS  28  -0.503   0.308   0.308
  213   1HB   CYS  28          1HB       CYS  28  -0.397  -1.164  -1.164
  214   2HB   CYS  28          2HB       CYS  28   0.628  -2.304  -2.304
  215    H    GLY  29           H        GLY  29   0.758   1.216   1.216
  216   1HA   GLY  29          1HA       GLY  29   2.283  -0.488  -0.488
  217   2HA   GLY  29          2HA       GLY  29   2.182   1.272   1.272
  218    H    THR  30           H        THR  30   4.716  -0.141  -0.141
  219    HA   THR  30           HA       THR  30   6.231   0.187   0.187
  220    HB   THR  30           HB       THR  30   8.186   0.130   0.130
  221    HG1  THR  30           HG1      THR  30   7.295   1.013   1.013
  222   1HG2  THR  30          2HG2      THR  30   6.124  -2.090  -2.090
  223   2HG2  THR  30          3HG2      THR  30   7.843  -2.221  -2.221
  224   3HG2  THR  30          1HG2      THR  30   7.366  -1.934  -1.934
  225    H    ASP  31           H        ASP  31   4.647   2.465   2.465
  226    HA   ASP  31           HA       ASP  31   6.448   4.724   4.724
  227   1HB   ASP  31          1HB       ASP  31   4.351   6.001   6.001
  228   2HB   ASP  31          2HB       ASP  31   4.956   4.933   4.933
  229    H    GLY  32           H        GLY  32   4.187   2.722   2.722
  230   1HA   GLY  32          1HA       GLY  32   4.117   2.500   2.500
  231   2HA   GLY  32          2HA       GLY  32   4.895   4.077   4.077
  232    H    VAL  33           H        VAL  33   2.255   3.938   3.938
  233    HA   VAL  33           HA       VAL  33   0.503   5.276   5.276
  234    HB   VAL  33           HB       VAL  33   0.470   5.530   5.530
  235   1HG1  VAL  33          2HG1      VAL  33  -0.848   7.122   7.122
  236   2HG1  VAL  33          3HG1      VAL  33  -0.936   7.550   7.550
  237   3HG1  VAL  33          1HG1      VAL  33  -1.687   6.055   6.055
  238   1HG2  VAL  33          2HG2      VAL  33   1.716   7.371   7.371
  239   2HG2  VAL  33          3HG2      VAL  33   2.570   6.512   6.512
  240   3HG2  VAL  33          1HG2      VAL  33   1.438   7.804   7.804
  241    H    THR  34           H        THR  34  -1.411   4.346   4.346
  242    HA   THR  34           HA       THR  34  -2.283   1.856   1.856
  243    HB   THR  34           HB       THR  34  -3.836   3.890   3.890
  244    HG1  THR  34           HG1      THR  34  -3.140   2.845   2.845
  245   1HG2  THR  34          1HG2      THR  34  -4.199   0.910   0.910
  246   2HG2  THR  34          2HG2      THR  34  -5.148   1.882   1.882
  247   3HG2  THR  34          3HG2      THR  34  -5.242   2.230   2.230
  248    H    TYR  35           H        TYR  35  -2.964   1.932   1.932
  249    HA   TYR  35           HA       TYR  35  -4.521   4.324   4.324
  250   1HB   TYR  35          1HB       TYR  35  -3.206   2.078   2.078
  251   2HB   TYR  35          2HB       TYR  35  -4.213   3.332   3.332
  252    HD1  TYR  35           HD2      TYR  35  -2.674   5.497   5.497
  253    HD2  TYR  35           HD1      TYR  35  -1.762   2.822   2.822
  254    HE1  TYR  35           HE2      TYR  35  -0.772   6.924   6.924
  255    HE2  TYR  35           HE1      TYR  35   0.147   4.278   4.278
  256    HH   TYR  35           HH       TYR  35   1.774   5.776   5.776
  257    H    GLU  36           H        GLU  36  -6.353   3.896   3.896
  258    HA   GLU  36           HA       GLU  36  -8.215   2.377   2.377
  259   1HB   GLU  36          1HB       GLU  36  -8.132   3.663   3.663
  260   2HB   GLU  36          2HB       GLU  36  -9.499   2.656   2.656
  261   1HG   GLU  36          1HG       GLU  36  -9.903   4.173   4.173
  262   2HG   GLU  36          2HG       GLU  36  -8.713   5.284   5.284
  263    H    SER  37           H        SER  37  -6.452   1.377   1.377
  264    HA   SER  37           HA       SER  37  -7.206  -1.364  -1.364
  265   1HB   SER  37          1HB       SER  37  -8.637  -1.303  -1.303
  266   2HB   SER  37          2HB       SER  37  -9.406  -0.928  -0.928
  267    HG   SER  37           HG       SER  37  -9.760   1.054   1.054
  268    H    GLU  38           H        GLU  38  -6.456  -2.706  -2.706
  269    HA   GLU  38           HA       GLU  38  -3.833  -1.948  -1.948
  270   1HB   GLU  38          1HB       GLU  38  -5.468  -4.208  -4.208
  271   2HB   GLU  38          2HB       GLU  38  -3.720  -3.989  -3.989
  272   1HG   GLU  38          1HG       GLU  38  -3.634  -4.004  -4.004
  273   2HG   GLU  38          2HG       GLU  38  -5.332  -4.478  -4.478
  274    H    CYS  39           H        CYS  39  -6.754  -1.914  -1.914
  275    HA   CYS  39           HA       CYS  39  -5.712  -1.078  -1.078
  276   1HB   CYS  39          1HB       CYS  39  -8.072  -1.347  -1.347
  277   2HB   CYS  39          2HB       CYS  39  -8.157  -0.272  -0.272
  278    H    LYS  40           H        LYS  40  -6.558   1.029   1.029
  279    HA   LYS  40           HA       LYS  40  -5.666   3.440   3.440
  280   1HB   LYS  40          1HB       LYS  40  -6.440   2.913   2.913
  281   2HB   LYS  40          2HB       LYS  40  -6.149   4.516   4.516
  282   1HG   LYS  40          1HG       LYS  40  -7.993   4.261   4.261
  283   2HG   LYS  40          2HG       LYS  40  -8.254   2.573   2.573
  284   1HD   LYS  40          1HD       LYS  40  -8.875   3.227   3.227
  285   2HD   LYS  40          2HD       LYS  40  -8.554   4.931   4.931
  286   1HE   LYS  40          1HE       LYS  40 -10.359   4.983   4.983
  287   2HE   LYS  40          2HE       LYS  40 -10.643   3.237   3.237
  288   1HZ   LYS  40          2HZ       LYS  40 -10.964   5.154   5.154
  289   2HZ   LYS  40          3HZ       LYS  40 -12.200   4.643   4.643
  290   3HZ   LYS  40          1HZ       LYS  40 -11.378   3.587   3.587
  291    H    LEU  41           H        LEU  41  -4.218   1.101   1.101
  292    HA   LEU  41           HA       LEU  41  -1.850   2.644   2.644
  293   1HB   LEU  41          1HB       LEU  41  -2.617   0.678   0.678
  294   2HB   LEU  41          2HB       LEU  41  -2.167  -0.395  -0.395
  295    HG   LEU  41           HG       LEU  41  -0.066   1.512   1.512
  296   1HD1  LEU  41          1HD1      LEU  41  -0.724  -0.669  -0.669
  297   2HD1  LEU  41          2HD1      LEU  41   0.752   0.296   0.296
  298   3HD1  LEU  41          3HD1      LEU  41  -0.791   1.073   1.073
  299   1HD2  LEU  41          2HD2      LEU  41  -0.194  -1.510  -1.510
  300   2HD2  LEU  41          3HD2      LEU  41   0.296  -0.325  -0.325
  301   3HD2  LEU  41          1HD2      LEU  41   1.310  -0.613  -0.613
  302    H    CYS  42           H        CYS  42  -2.547   0.092   0.092
  303    HA   CYS  42           HA       CYS  42  -0.229   0.097   0.097
  304   1HB   CYS  42          1HB       CYS  42  -3.092  -0.036  -0.036
  305   2HB   CYS  42          2HB       CYS  42  -1.645  -0.383  -0.383
  306    H    LEU  43           H        LEU  43  -3.174   2.073   2.073
  307    HA   LEU  43           HA       LEU  43  -2.390   3.807   3.807
  308   1HB   LEU  43          1HB       LEU  43  -4.113   4.153   4.153
  309   2HB   LEU  43          2HB       LEU  43  -3.934   5.480   5.480
  310    HG   LEU  43           HG       LEU  43  -5.134   2.763   2.763
  311   1HD1  LEU  43          1HD1      LEU  43  -6.566   4.374   4.374
  312   2HD1  LEU  43          2HD1      LEU  43  -6.386   5.544   5.544
  313   3HD1  LEU  43          3HD1      LEU  43  -7.199   3.990   3.990
  314   1HD2  LEU  43          2HD2      LEU  43  -4.420   5.154   5.154
  315   2HD2  LEU  43          3HD2      LEU  43  -4.109   3.420   3.420
  316   3HD2  LEU  43          1HD2      LEU  43  -5.745   4.063   4.063
  317    H    ALA  44           H        ALA  44  -1.785   4.271   4.271
  318    HA   ALA  44           HA       ALA  44  -0.351   6.715   6.715
  319   1HB   ALA  44          3HB       ALA  44  -1.233   6.069   6.069
  320   2HB   ALA  44          1HB       ALA  44  -0.122   4.693   4.693
  321   3HB   ALA  44          2HB       ALA  44   0.516   6.353   6.353
  322    H    ARG  45           H        ARG  45   0.896   3.303   3.303
  323    HA   ARG  45           HA       ARG  45   3.625   4.065   4.065
  324   1HB   ARG  45          1HB       ARG  45   2.224   1.495   1.495
  325   2HB   ARG  45          2HB       ARG  45   3.924   1.869   1.869
  326   1HG   ARG  45          1HG       ARG  45   4.281   0.814   0.814
  327   2HG   ARG  45          2HG       ARG  45   4.049   2.419   2.419
  328   1HD   ARG  45          1HD       ARG  45   1.402   1.216   1.216
  329   2HD   ARG  45          2HD       ARG  45   2.482  -0.056  -0.056
  330    HE   ARG  45           HE       ARG  45   2.839   0.556   0.556
  331   1HH1  ARG  45          2HH2      ARG  45   2.454   3.659   3.659
  332   2HH1  ARG  45          1HH2      ARG  45   2.295   4.559   4.559
  333   1HH2  ARG  45          2HH1      ARG  45   2.006   1.601   1.601
  334   2HH2  ARG  45          1HH1      ARG  45   2.170   3.309   3.309
  335    H    ILE  46           H        ILE  46   0.904   4.165   4.165
  336    HA   ILE  46           HA       ILE  46   2.739   4.334   4.334
  337    HB   ILE  46           HB       ILE  46  -0.162   5.274   5.274
  338   1HG1  ILE  46          1HG1      ILE  46   0.848   2.604   2.604
  339   2HG1  ILE  46          2HG1      ILE  46   0.126   2.801   2.801
  340   1HG2  ILE  46          2HG2      ILE  46   1.117   6.222   6.222
  341   2HG2  ILE  46          3HG2      ILE  46   1.621   4.588   4.588
  342   3HG2  ILE  46          1HG2      ILE  46  -0.082   5.078   5.078
  343   1HD1  ILE  46          2HD1      ILE  46  -1.920   3.783   3.783
  344   2HD1  ILE  46          3HD1      ILE  46  -1.230   3.202   3.202
  345   3HD1  ILE  46          1HD1      ILE  46  -1.621   2.050   2.050
  346    H    GLU  47           H        GLU  47   1.012   6.829   6.829
  347    HA   GLU  47           HA       GLU  47   2.153   9.059   9.059
  348   1HB   GLU  47          1HB       GLU  47   0.285   8.926   8.926
  349   2HB   GLU  47          2HB       GLU  47   1.509   8.655   8.655
  350   1HG   GLU  47          1HG       GLU  47   1.179  11.111  11.111
  351   2HG   GLU  47          2HG       GLU  47   0.839  10.900  10.900
  352    H    ASN  48           H        ASN  48   3.087   7.186   7.186
  353    HA   ASN  48           HA       ASN  48   5.292   8.774   8.774
  354   1HB   ASN  48          1HB       ASN  48   4.732   5.924   5.924
  355   2HB   ASN  48          2HB       ASN  48   5.831   7.023   7.023
  356   1HD2  ASN  48          2HD2      ASN  48   2.437   8.853   8.853
  357   2HD2  ASN  48          1HD2      ASN  48   3.472   9.159   9.159
  358    H    LYS  49           H        LYS  49   5.035   5.997   5.997
  359    HA   LYS  49           HA       LYS  49   6.648   4.764   4.764
  360   1HB   LYS  49          1HB       LYS  49   8.084   7.457   7.457
  361   2HB   LYS  49          2HB       LYS  49   8.720   6.103   6.103
  362   1HG   LYS  49          1HG       LYS  49   5.885   7.029   7.029
  363   2HG   LYS  49          2HG       LYS  49   7.240   7.916   7.916
  364   1HD   LYS  49          1HD       LYS  49   8.064   6.093   6.093
  365   2HD   LYS  49          2HD       LYS  49   7.148   4.887   4.887
  366   1HE   LYS  49          1HE       LYS  49   5.851   7.005   7.005
  367   2HE   LYS  49          2HE       LYS  49   6.295   5.386   5.386
  368   1HZ   LYS  49          2HZ       LYS  49   4.856   4.480   4.480
  369   2HZ   LYS  49          3HZ       LYS  49   4.313   5.998   5.998
  370   3HZ   LYS  49          1HZ       LYS  49   4.081   5.367   5.367
  371    H    GLN  50           H        GLN  50   6.528   4.125   4.125
  372    HA   GLN  50           HA       GLN  50   9.357   3.367   3.367
  373   1HB   GLN  50          1HB       GLN  50   7.419   4.653   4.653
  374   2HB   GLN  50          2HB       GLN  50   8.856   3.725   3.725
  375   1HG   GLN  50          1HG       GLN  50  10.290   5.367   5.367
  376   2HG   GLN  50          2HG       GLN  50   8.849   6.300   6.300
  377   1HE2  GLN  50          2HE2      GLN  50  10.219   6.206   6.206
  378   2HE2  GLN  50          1HE2      GLN  50  10.722   4.985   4.985
  379    H    ASP  51           H        ASP  51   9.524   1.348   1.348
  380    HA   ASP  51           HA       ASP  51   7.211  -0.469  -0.469
  381   1HB   ASP  51          1HB       ASP  51   9.378  -1.182  -1.182
  382   2HB   ASP  51          2HB       ASP  51  10.161  -0.782  -0.782
  383    H    ILE  52           H        ILE  52   6.307   1.158   1.158
  384    HA   ILE  52           HA       ILE  52   7.113   0.701   0.701
  385    HB   ILE  52           HB       ILE  52   4.723   2.057   2.057
  386   1HG1  ILE  52          1HG1      ILE  52   7.008   3.499   3.499
  387   2HG1  ILE  52          2HG1      ILE  52   6.910   3.125   3.125
  388   1HG2  ILE  52          3HG2      ILE  52   4.232   1.250   1.250
  389   2HG2  ILE  52          1HG2      ILE  52   5.703   2.042   2.042
  390   3HG2  ILE  52          2HG2      ILE  52   4.374   3.009   3.009
  391   1HD1  ILE  52          2HD1      ILE  52   4.760   4.724   4.724
  392   2HD1  ILE  52          3HD1      ILE  52   6.090   5.397   5.397
  393   3HD1  ILE  52          1HD1      ILE  52   4.900   4.349   4.349
  394    H    GLN  53           H        GLN  53   6.441  -1.186  -1.186
  395    HA   GLN  53           HA       GLN  53   4.353  -2.802  -2.802
  396   1HB   GLN  53          1HB       GLN  53   6.773  -3.451  -3.451
  397   2HB   GLN  53          2HB       GLN  53   5.534  -4.649  -4.649
  398   1HG   GLN  53          1HG       GLN  53   5.901  -3.793  -3.793
  399   2HG   GLN  53          2HG       GLN  53   7.361  -3.157  -3.157
  400   1HE2  GLN  53          2HE2      GLN  53   8.308  -6.305  -6.305
  401   2HE2  GLN  53          1HE2      GLN  53   7.853  -4.639  -4.639
  402    H    ILE  54           H        ILE  54   3.252  -4.377  -4.377
  403    HA   ILE  54           HA       ILE  54   2.140  -2.806  -2.806
  404    HB   ILE  54           HB       ILE  54   1.247  -5.308  -5.308
  405   1HG1  ILE  54          1HG1      ILE  54  -0.247  -2.734  -2.734
  406   2HG1  ILE  54          2HG1      ILE  54   0.851  -2.816  -2.816
  407   1HG2  ILE  54          3HG2      ILE  54   0.234  -4.058  -4.058
  408   2HG2  ILE  54          1HG2      ILE  54  -0.693  -5.229  -5.229
  409   3HG2  ILE  54          2HG2      ILE  54   0.837  -5.719  -5.719
  410   1HD1  ILE  54          1HD1      ILE  54  -1.543  -4.639  -4.639
  411   2HD1  ILE  54          2HD1      ILE  54  -1.421  -3.258  -3.258
  412   3HD1  ILE  54          3HD1      ILE  54  -0.388  -4.669  -4.669
  413    H    VAL  55           H        VAL  55   2.780  -3.107  -3.107
  414    HA   VAL  55           HA       VAL  55   4.919  -4.961  -4.961
  415    HB   VAL  55           HB       VAL  55   3.131  -3.008  -3.008
  416   1HG1  VAL  55          3HG1      VAL  55   5.636  -4.461  -4.461
  417   2HG1  VAL  55          1HG1      VAL  55   4.785  -3.180  -3.180
  418   3HG1  VAL  55          2HG1      VAL  55   3.988  -4.731  -4.731
  419   1HG2  VAL  55          1HG2      VAL  55   4.680  -1.964  -1.964
  420   2HG2  VAL  55          2HG2      VAL  55   5.029  -1.522  -1.522
  421   3HG2  VAL  55          3HG2      VAL  55   6.037  -2.737  -2.737
  422    H    LYS  56           H        LYS  56   1.447  -4.394  -4.394
  423    HA   LYS  56           HA       LYS  56   0.762  -7.145  -7.145
  424   1HB   LYS  56          1HB       LYS  56   0.288  -7.010  -7.010
  425   2HB   LYS  56          2HB       LYS  56   1.986  -6.585  -6.585
  426   1HG   LYS  56          1HG       LYS  56   1.316  -4.143  -4.143
  427   2HG   LYS  56          2HG       LYS  56  -0.347  -4.662  -4.662
  428   1HD   LYS  56          1HD       LYS  56   0.607  -5.887  -5.887
  429   2HD   LYS  56          2HD       LYS  56   2.096  -4.949  -4.949
  430   1HE   LYS  56          1HE       LYS  56   0.419  -2.899  -2.899
  431   2HE   LYS  56          2HE       LYS  56  -0.745  -3.977  -3.977
  432   1HZ   LYS  56          3HZ       LYS  56   1.855  -3.086  -3.086
  433   2HZ   LYS  56          1HZ       LYS  56   0.418  -2.478  -2.478
  434   3HZ   LYS  56          2HZ       LYS  56   0.752  -4.016  -4.016
  435    H    ASP  57           H        ASP  57  -1.573  -7.151  -7.151
  436    HA   ASP  57           HA       ASP  57  -3.008  -5.059  -5.059
  437   1HB   ASP  57          1HB       ASP  57  -4.020  -7.598  -7.598
  438   2HB   ASP  57          2HB       ASP  57  -4.978  -6.469  -6.469
  439    H    GLY  58           H        GLY  58  -4.811  -3.978  -3.978
  440   1HA   GLY  58          1HA       GLY  58  -5.845  -2.852  -2.852
  441   2HA   GLY  58          2HA       GLY  58  -5.168  -3.951  -3.951
  442    H    GLU  59           H        GLU  59  -4.959  -2.031  -2.031
  443    HA   GLU  59           HA       GLU  59  -3.758   0.360   0.360
  444   1HB   GLU  59          1HB       GLU  59  -4.004  -0.556  -0.556
  445   2HB   GLU  59          2HB       GLU  59  -3.971   1.103   1.103
  446   1HG   GLU  59          1HG       GLU  59  -6.289  -0.744  -0.744
  447   2HG   GLU  59          2HG       GLU  59  -6.245   0.053   0.053
  448    H    CYS  60           H        CYS  60  -1.723   1.195   1.195
  449    HA   CYS  60           HA       CYS  60   0.520  -0.601  -0.601
  450   1HB   CYS  60          1HB       CYS  60   0.355   2.434   2.434
  451   2HB   CYS  60          2HB       CYS  60   1.864   1.523   1.523

  Start of MODEL    6
    1   1H    GLU   1          3HN       GLU   1   7.767 -18.653 -18.653
    2   2H    GLU   1          1HN       GLU   1   8.143 -20.159 -20.159
    3   3H    GLU   1          2HN       GLU   1   6.574 -19.757 -19.757
    4    HA   GLU   1           HA       GLU   1   6.315 -19.305 -19.305
    5   1HB   GLU   1          1HB       GLU   1   8.149 -19.048 -19.048
    6   2HB   GLU   1          2HB       GLU   1   8.225 -20.515 -20.515
    7   1HG   GLU   1          1HG       GLU   1   9.842 -18.158 -18.158
    8   2HG   GLU   1          2HG       GLU   1  10.385 -18.990 -18.990
    9    H    LYS   2           H        LYS   2   8.531 -17.227 -17.227
   10    HA   LYS   2           HA       LYS   2   6.847 -14.888 -14.888
   11   1HB   LYS   2          1HB       LYS   2   9.580 -15.229 -15.229
   12   2HB   LYS   2          2HB       LYS   2   8.496 -13.824 -13.824
   13   1HG   LYS   2          1HG       LYS   2   6.786 -15.501 -15.501
   14   2HG   LYS   2          2HG       LYS   2   8.145 -16.614 -16.614
   15   1HD   LYS   2          1HD       LYS   2   7.870 -13.808 -13.808
   16   2HD   LYS   2          2HD       LYS   2   7.659 -15.331 -15.331
   17   1HE   LYS   2          1HE       LYS   2   9.767 -14.473 -14.473
   18   2HE   LYS   2          2HE       LYS   2  10.101 -15.878 -15.878
   19   1HZ   LYS   2          3HZ       LYS   2  10.121 -13.143 -13.143
   20   2HZ   LYS   2          1HZ       LYS   2  11.401 -13.734 -13.734
   21   3HZ   LYS   2          2HZ       LYS   2  10.962 -14.495 -14.495
   22    H    GLN   3           H        GLN   3   7.014 -14.759 -14.759
   23    HA   GLN   3           HA       GLN   3   9.375 -14.078 -14.078
   24   1HB   GLN   3          1HB       GLN   3   8.051 -12.839 -12.839
   25   2HB   GLN   3          2HB       GLN   3   7.251 -14.363 -14.363
   26   1HG   GLN   3          1HG       GLN   3   6.428 -11.654 -11.654
   27   2HG   GLN   3          2HG       GLN   3   5.777 -12.348 -12.348
   28   1HE2  GLN   3          2HE2      GLN   3   3.325 -13.236 -13.236
   29   2HE2  GLN   3          1HE2      GLN   3   3.962 -11.744 -11.744
   30    H    VAL   4           H        VAL   4  10.654 -12.278 -12.278
   31    HA   VAL   4           HA       VAL   4  10.170 -10.120 -10.120
   32    HB   VAL   4           HB       VAL   4  12.451 -11.211 -11.211
   33   1HG1  VAL   4          3HG1      VAL   4  12.537  -9.700  -9.700
   34   2HG1  VAL   4          1HG1      VAL   4  13.946 -10.285 -10.285
   35   3HG1  VAL   4          2HG1      VAL   4  12.757 -11.433 -11.433
   36   1HG2  VAL   4          2HG2      VAL   4  12.188  -8.201  -8.201
   37   2HG2  VAL   4          3HG2      VAL   4  12.127  -9.112  -9.112
   38   3HG2  VAL   4          1HG2      VAL   4  13.627  -9.021  -9.021
   39    H    PHE   5           H        PHE   5  10.042 -10.992 -10.992
   40    HA   PHE   5           HA       PHE   5  10.377  -8.384  -8.384
   41   1HB   PHE   5          1HB       PHE   5  10.748 -10.680 -10.680
   42   2HB   PHE   5          2HB       PHE   5   9.004 -10.779 -10.779
   43    HD1  PHE   5          1HD       PHE   5  11.572  -8.030  -8.030
   44    HD2  PHE   5          1HD       PHE   5   8.540 -10.605 -10.605
   45    HE1  PHE   5          1HE       PHE   5  11.997  -7.091  -7.091
   46    HE2  PHE   5          2HE       PHE   5   9.152  -9.837  -9.837
   47    HZ   PHE   5           HZ       PHE   5  10.860  -8.046  -8.046
   48    H    SER   6           H        SER   6   8.563  -7.790  -7.790
   49    HA   SER   6           HA       SER   6   5.984  -7.298  -7.298
   50   1HB   SER   6          1HB       SER   6   5.968  -5.420  -5.420
   51   2HB   SER   6          2HB       SER   6   7.035  -5.189  -5.189
   52    HG   SER   6           HG       SER   6   8.028  -6.464  -6.464
   53    H    ARG   7           H        ARG   7   4.126  -7.277  -7.277
   54    HA   ARG   7           HA       ARG   7   4.379  -9.594  -9.594
   55   1HB   ARG   7          1HB       ARG   7   1.828  -8.176  -8.176
   56   2HB   ARG   7          2HB       ARG   7   2.018  -9.710  -9.710
   57   1HG   ARG   7          1HG       ARG   7   3.348 -10.462 -10.462
   58   2HG   ARG   7          2HG       ARG   7   2.565  -9.074  -9.074
   59   1HD   ARG   7          1HD       ARG   7   1.290 -11.547 -11.547
   60   2HD   ARG   7          2HD       ARG   7   1.202 -11.010 -11.010
   61    HE   ARG   7           HE       ARG   7  -0.323 -10.089 -10.089
   62   1HH1  ARG   7          2HH2      ARG   7  -0.102  -9.929  -9.929
   63   2HH1  ARG   7          1HH2      ARG   7  -1.416  -8.799  -8.799
   64   1HH2  ARG   7          2HH1      ARG   7  -1.897  -8.423  -8.423
   65   2HH2  ARG   7          1HH1      ARG   7  -2.281  -7.818  -7.818
   66    H    MET   8           H        MET   8   4.347  -9.236  -9.236
   67    HA   MET   8           HA       MET   8   4.411  -6.507  -6.507
   68   1HB   MET   8          1HB       MET   8   4.519  -9.246  -9.246
   69   2HB   MET   8          2HB       MET   8   4.626  -7.678  -7.678
   70   1HG   MET   8          1HG       MET   8   6.619  -7.118  -7.118
   71   2HG   MET   8          2HG       MET   8   6.540  -8.733  -8.733
   72   1HE   MET   8          3HE       MET   8   6.938  -6.665  -6.665
   73   2HE   MET   8          1HE       MET   8   7.716  -7.766  -7.766
   74   3HE   MET   8          2HE       MET   8   5.992  -7.965  -7.965
   75    HA   PRO   9           HA       PRO   9  -0.080  -7.029  -7.029
   76   1HB   PRO   9          1HB       PRO   9  -0.793  -4.574  -4.574
   77   2HB   PRO   9          2HB       PRO   9  -0.286  -4.945  -4.945
   78   1HG   PRO   9          1HG       PRO   9   1.424  -3.666  -3.666
   79   2HG   PRO   9          2HG       PRO   9   1.262  -3.179  -3.179
   80   1HD   PRO   9          1HD       PRO   9   3.285  -4.788  -4.788
   81   2HD   PRO   9          2HD       PRO   9   2.664  -4.891  -4.891
   82    H    ILE  10           H        ILE  10  -0.868  -7.941  -7.941
   83    HA   ILE  10           HA       ILE  10   0.653  -7.748  -7.748
   84    HB   ILE  10           HB       ILE  10  -1.953  -9.172  -9.172
   85   1HG1  ILE  10          1HG1      ILE  10  -0.389 -10.021 -10.021
   86   2HG1  ILE  10          2HG1      ILE  10  -0.608 -11.194 -11.194
   87   1HG2  ILE  10          3HG2      ILE  10   0.126  -9.558  -9.558
   88   2HG2  ILE  10          1HG2      ILE  10  -1.289 -10.594 -10.594
   89   3HG2  ILE  10          2HG2      ILE  10  -1.510  -8.906  -8.906
   90   1HD1  ILE  10          3HD1      ILE  10   1.584 -10.452 -10.452
   91   2HD1  ILE  10          1HD1      ILE  10   1.793  -9.342  -9.342
   92   3HD1  ILE  10          2HD1      ILE  10   1.733 -11.086 -11.086
   93    H    CYS  11           H        CYS  11   0.538  -5.641  -5.641
   94    HA   CYS  11           HA       CYS  11  -2.016  -4.474  -4.474
   95   1HB   CYS  11          1HB       CYS  11   0.072  -3.355  -3.355
   96   2HB   CYS  11          2HB       CYS  11  -1.105  -2.368  -2.368
   97    H    GLU  12           H        GLU  12  -1.183  -4.967  -4.967
   98    HA   GLU  12           HA       GLU  12   1.586  -4.381  -4.381
   99   1HB   GLU  12          1HB       GLU  12  -0.420  -5.942  -5.942
  100   2HB   GLU  12          2HB       GLU  12   1.349  -5.982  -5.982
  101   1HG   GLU  12          1HG       GLU  12   1.238  -6.739  -6.739
  102   2HG   GLU  12          2HG       GLU  12  -0.486  -6.975  -6.975
  103    H    HIS  13           H        HIS  13  -1.563  -3.239  -3.239
  104    HA   HIS  13           HA       HIS  13  -0.070  -1.285  -1.285
  105   1HB   HIS  13          1HB       HIS  13  -2.214  -3.131  -3.131
  106   2HB   HIS  13          2HB       HIS  13  -1.312  -1.903  -1.903
  107    HD1  HIS  13           HD1      HIS  13   1.418  -2.674  -2.674
  108    HD2  HIS  13           HD2      HIS  13  -1.231  -5.526  -5.526
  109    HE1  HIS  13           HE1      HIS  13   2.637  -4.891  -4.891
  110    HE2  HIS  13           HE2      HIS  13   1.046  -6.631  -6.631
  111    H    MET  14           H        MET  14  -1.363   0.544   0.544
  112    HA   MET  14           HA       MET  14  -3.488   1.274   1.274
  113   1HB   MET  14          1HB       MET  14  -2.421   2.519   2.519
  114   2HB   MET  14          2HB       MET  14  -3.537   3.273   3.273
  115   1HG   MET  14          1HG       MET  14  -1.414   4.147   4.147
  116   2HG   MET  14          2HG       MET  14  -1.824   3.116   3.116
  117   1HE   MET  14          3HE       MET  14   0.427   3.787   3.787
  118   2HE   MET  14          1HE       MET  14   1.495   2.364   2.364
  119   3HE   MET  14          2HE       MET  14  -0.221   2.186   2.186
  120    H    THR  15           H        THR  15  -4.903  -0.608  -0.608
  121    HA   THR  15           HA       THR  15  -6.863  -0.224  -0.224
  122    HB   THR  15           HB       THR  15  -4.663  -1.259  -1.259
  123    HG1  THR  15           HG1      THR  15  -6.963  -2.739  -2.739
  124   1HG2  THR  15          2HG2      THR  15  -4.370  -2.933  -2.933
  125   2HG2  THR  15          3HG2      THR  15  -5.697  -3.867  -3.867
  126   3HG2  THR  15          1HG2      THR  15  -4.261  -3.526  -3.526
  127    H    GLU  16           H        GLU  16  -7.721  -2.970  -2.970
  128    HA   GLU  16           HA       GLU  16  -9.010  -3.140  -3.140
  129   1HB   GLU  16          1HB       GLU  16  -9.050  -5.283  -5.283
  130   2HB   GLU  16          2HB       GLU  16 -10.292  -4.799  -4.799
  131   1HG   GLU  16          1HG       GLU  16 -11.104  -3.978  -3.978
  132   2HG   GLU  16          2HG       GLU  16 -10.337  -2.549  -2.549
  133    H    SER  17           H        SER  17  -6.301  -3.232  -3.232
  134    HA   SER  17           HA       SER  17  -5.480  -6.094  -6.094
  135   1HB   SER  17          1HB       SER  17  -3.826  -4.992  -4.992
  136   2HB   SER  17          2HB       SER  17  -3.901  -3.550  -3.550
  137    HG   SER  17           HG       SER  17  -3.115  -6.072  -6.072
  138    HA   PRO  18           HA       PRO  18  -6.065  -4.750  -4.750
  139   1HB   PRO  18          1HB       PRO  18  -5.952  -2.165  -2.165
  140   2HB   PRO  18          2HB       PRO  18  -4.490  -3.155  -3.155
  141   1HG   PRO  18          1HG       PRO  18  -5.635  -1.091  -1.091
  142   2HG   PRO  18          2HG       PRO  18  -3.931  -1.336  -1.336
  143   1HD   PRO  18          1HD       PRO  18  -5.098  -2.318  -2.318
  144   2HD   PRO  18          2HD       PRO  18  -3.665  -3.049  -3.049
  145    H    ASP  19           H        ASP  19  -7.945  -3.551  -3.551
  146    HA   ASP  19           HA       ASP  19 -10.085  -2.614  -2.614
  147   1HB   ASP  19          1HB       ASP  19 -10.605  -4.906  -4.906
  148   2HB   ASP  19          2HB       ASP  19 -10.100  -4.859  -4.859
  149    H    CYS  20           H        CYS  20 -10.670  -0.635  -0.635
  150    HA   CYS  20           HA       CYS  20 -10.358   0.020   0.020
  151   1HB   CYS  20          1HB       CYS  20 -10.125   1.589   1.589
  152   2HB   CYS  20          2HB       CYS  20 -10.873   2.426   2.426
  153    H    SER  21           H        SER  21 -12.605  -1.677  -1.677
  154    HA   SER  21           HA       SER  21 -15.049  -0.340  -0.340
  155   1HB   SER  21          1HB       SER  21 -14.003  -2.986  -2.986
  156   2HB   SER  21          2HB       SER  21 -15.690  -2.459  -2.459
  157    HG   SER  21           HG       SER  21 -14.104  -2.912  -2.912
  158    H    ARG  22           H        ARG  22 -16.273  -0.281  -0.281
  159    HA   ARG  22           HA       ARG  22 -14.678   1.484   1.484
  160   1HB   ARG  22          1HB       ARG  22 -17.549   0.648   0.648
  161   2HB   ARG  22          2HB       ARG  22 -16.644   1.992   1.992
  162   1HG   ARG  22          1HG       ARG  22 -16.399   2.551   2.551
  163   2HG   ARG  22          2HG       ARG  22 -18.001   1.803   1.803
  164   1HD   ARG  22          1HD       ARG  22 -16.944   4.217   4.217
  165   2HD   ARG  22          2HD       ARG  22 -18.297   4.175   4.175
  166    HE   ARG  22           HE       ARG  22 -19.053   2.516   2.516
  167   1HH1  ARG  22          2HH2      ARG  22 -18.190   5.961   5.961
  168   2HH1  ARG  22          1HH2      ARG  22 -18.758   6.360   6.360
  169   1HH2  ARG  22          2HH1      ARG  22 -19.742   3.118   3.118
  170   2HH2  ARG  22          1HH1      ARG  22 -19.937   4.765   4.765
  171    H    ILE  23           H        ILE  23 -13.943  -1.369  -1.369
  172    HA   ILE  23           HA       ILE  23 -14.713  -2.534  -2.534
  173    HB   ILE  23           HB       ILE  23 -12.420  -2.946  -2.946
  174   1HG1  ILE  23          1HG1      ILE  23 -14.811  -3.436  -3.436
  175   2HG1  ILE  23          2HG1      ILE  23 -13.627  -4.711  -4.711
  176   1HG2  ILE  23          1HG2      ILE  23 -13.146  -4.555  -4.555
  177   2HG2  ILE  23          2HG2      ILE  23 -12.156  -5.187  -5.187
  178   3HG2  ILE  23          3HG2      ILE  23 -11.606  -3.781  -3.781
  179   1HD1  ILE  23          2HD1      ILE  23 -15.646  -4.491  -4.491
  180   2HD1  ILE  23          3HD1      ILE  23 -15.868  -5.470  -5.470
  181   3HD1  ILE  23          1HD1      ILE  23 -14.561  -5.857  -5.857
  182    H    TYR  24           H        TYR  24 -14.491  -1.064  -1.064
  183    HA   TYR  24           HA       TYR  24 -11.912   0.251   0.251
  184   1HB   TYR  24          1HB       TYR  24 -13.984   1.163   1.163
  185   2HB   TYR  24          2HB       TYR  24 -14.303  -0.342  -0.342
  186    HD1  TYR  24           HD1      TYR  24 -12.695  -1.076  -1.076
  187    HD2  TYR  24           HD2      TYR  24 -12.551   2.855   2.855
  188    HE1  TYR  24           HE1      TYR  24 -11.361  -0.275  -0.275
  189    HE2  TYR  24           HE2      TYR  24 -11.127   3.623   3.623
  190    HH   TYR  24           HH       TYR  24 -10.243   3.067   3.067
  191    H    ASP  25           H        ASP  25 -10.228  -1.163  -1.163
  192    HA   ASP  25           HA       ASP  25 -10.327  -3.412  -3.412
  193   1HB   ASP  25          1HB       ASP  25 -11.088  -4.467  -4.467
  194   2HB   ASP  25          2HB       ASP  25  -9.726  -3.761  -3.761
  195    HA   PRO  26           HA       PRO  26  -6.904  -0.536  -0.536
  196   1HB   PRO  26          1HB       PRO  26  -6.230   0.047   0.047
  197   2HB   PRO  26          2HB       PRO  26  -7.497   0.873   0.873
  198   1HG   PRO  26          1HG       PRO  26  -7.833  -1.485  -1.485
  199   2HG   PRO  26          2HG       PRO  26  -8.792   0.027   0.027
  200   1HD   PRO  26          1HD       PRO  26  -9.748  -2.168  -2.168
  201   2HD   PRO  26          2HD       PRO  26  -9.799  -0.604  -0.604
  202    H    VAL  27           H        VAL  27  -4.659  -0.595  -0.595
  203    HA   VAL  27           HA       VAL  27  -3.425  -2.910  -2.910
  204    HB   VAL  27           HB       VAL  27  -2.201  -3.544  -3.544
  205   1HG1  VAL  27          2HG1      VAL  27  -4.419  -4.651  -4.651
  206   2HG1  VAL  27          3HG1      VAL  27  -5.180  -3.557  -3.557
  207   3HG1  VAL  27          1HG1      VAL  27  -3.953  -4.706  -4.706
  208   1HG2  VAL  27          3HG2      VAL  27  -2.237  -1.385  -1.385
  209   2HG2  VAL  27          1HG2      VAL  27  -2.855  -2.707  -2.707
  210   3HG2  VAL  27          2HG2      VAL  27  -3.985  -1.554  -1.554
  211    H    CYS  28           H        CYS  28  -1.042  -2.660  -2.660
  212    HA   CYS  28           HA       CYS  28  -0.424   0.215   0.215
  213   1HB   CYS  28          1HB       CYS  28  -0.332  -1.305  -1.305
  214   2HB   CYS  28          2HB       CYS  28   0.805  -2.355  -2.355
  215    H    GLY  29           H        GLY  29   0.759   1.194   1.194
  216   1HA   GLY  29          1HA       GLY  29   2.353  -0.248  -0.248
  217   2HA   GLY  29          2HA       GLY  29   2.215   1.502   1.502
  218    H    THR  30           H        THR  30   4.650  -0.264  -0.264
  219    HA   THR  30           HA       THR  30   6.128  -0.274  -0.274
  220    HB   THR  30           HB       THR  30   8.098  -0.392  -0.392
  221    HG1  THR  30           HG1      THR  30   7.445   0.135   0.135
  222   1HG2  THR  30          2HG2      THR  30   7.174  -2.398  -2.398
  223   2HG2  THR  30          3HG2      THR  30   5.888  -2.489  -2.489
  224   3HG2  THR  30          1HG2      THR  30   7.596  -2.684  -2.684
  225    H    ASP  31           H        ASP  31   5.246   2.428   2.428
  226    HA   ASP  31           HA       ASP  31   7.557   4.044   4.044
  227   1HB   ASP  31          1HB       ASP  31   6.326   5.824   5.824
  228   2HB   ASP  31          2HB       ASP  31   5.988   4.449   4.449
  229    H    GLY  32           H        GLY  32   4.522   2.918   2.918
  230   1HA   GLY  32          1HA       GLY  32   4.304   3.027   3.027
  231   2HA   GLY  32          2HA       GLY  32   4.874   4.682   4.682
  232    H    VAL  33           H        VAL  33   2.890   4.472   4.472
  233    HA   VAL  33           HA       VAL  33   0.749   5.824   5.824
  234    HB   VAL  33           HB       VAL  33   1.372   5.332   5.332
  235   1HG1  VAL  33          3HG1      VAL  33  -1.169   6.607   6.607
  236   2HG1  VAL  33          1HG1      VAL  33  -0.605   6.723   6.723
  237   3HG1  VAL  33          2HG1      VAL  33  -1.065   5.150   5.150
  238   1HG2  VAL  33          1HG2      VAL  33   2.437   7.179   7.179
  239   2HG2  VAL  33          2HG2      VAL  33   1.595   7.741   7.741
  240   3HG2  VAL  33          3HG2      VAL  33   0.832   7.876   7.876
  241    H    THR  34           H        THR  34  -1.111   4.942   4.942
  242    HA   THR  34           HA       THR  34  -1.861   2.170   2.170
  243    HB   THR  34           HB       THR  34  -3.425   4.394   4.394
  244    HG1  THR  34           HG1      THR  34  -1.681   3.726   3.726
  245   1HG2  THR  34          3HG2      THR  34  -3.998   1.446   1.446
  246   2HG2  THR  34          1HG2      THR  34  -4.890   2.482   2.482
  247   3HG2  THR  34          2HG2      THR  34  -4.927   2.826   2.826
  248    H    TYR  35           H        TYR  35  -3.049   1.755   1.755
  249    HA   TYR  35           HA       TYR  35  -4.268   4.043   4.043
  250   1HB   TYR  35          1HB       TYR  35  -3.143   1.372   1.372
  251   2HB   TYR  35          2HB       TYR  35  -4.138   2.414   2.414
  252    HD1  TYR  35           HD2      TYR  35  -3.396   4.766   4.766
  253    HD2  TYR  35           HD1      TYR  35  -0.776   1.946   1.946
  254    HE1  TYR  35           HE2      TYR  35  -1.458   6.185   6.185
  255    HE2  TYR  35           HE1      TYR  35   1.180   3.327   3.327
  256    HH   TYR  35           HH       TYR  35   0.839   6.451   6.451
  257    H    GLU  36           H        GLU  36  -6.386   3.721   3.721
  258    HA   GLU  36           HA       GLU  36  -8.138   2.302   2.302
  259   1HB   GLU  36          1HB       GLU  36  -8.518   4.409   4.409
  260   2HB   GLU  36          2HB       GLU  36  -8.979   3.098   3.098
  261   1HG   GLU  36          1HG       GLU  36 -10.480   2.275   2.275
  262   2HG   GLU  36          2HG       GLU  36 -10.277   3.924   3.924
  263    H    SER  37           H        SER  37  -6.662   1.416   1.416
  264    HA   SER  37           HA       SER  37  -7.610  -1.329  -1.329
  265   1HB   SER  37          1HB       SER  37  -8.154   0.075   0.075
  266   2HB   SER  37          2HB       SER  37  -8.820  -1.449  -1.449
  267    HG   SER  37           HG       SER  37 -10.087  -0.283  -0.283
  268    H    GLU  38           H        GLU  38  -6.314  -2.778  -2.778
  269    HA   GLU  38           HA       GLU  38  -3.651  -2.101  -2.101
  270   1HB   GLU  38          1HB       GLU  38  -4.324  -4.396  -4.396
  271   2HB   GLU  38          2HB       GLU  38  -5.611  -4.190  -4.190
  272   1HG   GLU  38          1HG       GLU  38  -4.064  -3.851  -3.851
  273   2HG   GLU  38          2HG       GLU  38  -2.656  -3.969  -3.969
  274    H    CYS  39           H        CYS  39  -6.455  -2.002  -2.002
  275    HA   CYS  39           HA       CYS  39  -5.246  -1.177  -1.177
  276   1HB   CYS  39          1HB       CYS  39  -7.641  -1.510  -1.510
  277   2HB   CYS  39          2HB       CYS  39  -7.812   0.013   0.013
  278    H    LYS  40           H        LYS  40  -5.921   0.874   0.874
  279    HA   LYS  40           HA       LYS  40  -5.185   3.411   3.411
  280   1HB   LYS  40          1HB       LYS  40  -6.009   2.654   2.654
  281   2HB   LYS  40          2HB       LYS  40  -5.626   4.306   4.306
  282   1HG   LYS  40          1HG       LYS  40  -7.412   4.458   4.458
  283   2HG   LYS  40          2HG       LYS  40  -7.644   2.705   2.705
  284   1HD   LYS  40          1HD       LYS  40  -8.482   2.547   2.547
  285   2HD   LYS  40          2HD       LYS  40  -8.107   4.265   4.265
  286   1HE   LYS  40          1HE       LYS  40  -9.701   4.886   4.886
  287   2HE   LYS  40          2HE       LYS  40 -10.083   3.176   3.176
  288   1HZ   LYS  40          1HZ       LYS  40 -10.480   4.593   4.593
  289   2HZ   LYS  40          2HZ       LYS  40 -11.612   4.563   4.563
  290   3HZ   LYS  40          3HZ       LYS  40 -11.141   3.141   3.141
  291    H    LEU  41           H        LEU  41  -3.707   1.179   1.179
  292    HA   LEU  41           HA       LEU  41  -1.248   2.649   2.649
  293   1HB   LEU  41          1HB       LEU  41  -1.937   0.640   0.640
  294   2HB   LEU  41          2HB       LEU  41  -1.787  -0.360  -0.360
  295    HG   LEU  41           HG       LEU  41   0.590   1.175   1.175
  296   1HD1  LEU  41          2HD1      LEU  41  -0.510  -1.571  -1.571
  297   2HD1  LEU  41          3HD1      LEU  41   1.123  -1.034  -1.034
  298   3HD1  LEU  41          1HD1      LEU  41  -0.295  -0.212  -0.212
  299   1HD2  LEU  41          2HD2      LEU  41   0.252  -1.224  -1.224
  300   2HD2  LEU  41          3HD2      LEU  41   1.094   0.300   0.300
  301   3HD2  LEU  41          1HD2      LEU  41   1.787  -0.832  -0.832
  302    H    CYS  42           H        CYS  42  -2.467   0.378   0.378
  303    HA   CYS  42           HA       CYS  42  -0.154   0.263   0.263
  304   1HB   CYS  42          1HB       CYS  42  -2.988  -0.547  -0.547
  305   2HB   CYS  42          2HB       CYS  42  -1.675  -0.642  -0.642
  306    H    LEU  43           H        LEU  43  -3.027   2.336   2.336
  307    HA   LEU  43           HA       LEU  43  -2.256   3.892   3.892
  308   1HB   LEU  43          1HB       LEU  43  -3.852   4.373   4.373
  309   2HB   LEU  43          2HB       LEU  43  -3.611   5.677   5.677
  310    HG   LEU  43           HG       LEU  43  -5.101   3.137   3.137
  311   1HD1  LEU  43          3HD1      LEU  43  -6.281   4.792   4.792
  312   2HD1  LEU  43          1HD1      LEU  43  -6.012   6.024   6.024
  313   3HD1  LEU  43          2HD1      LEU  43  -7.026   4.610   4.610
  314   1HD2  LEU  43          2HD2      LEU  43  -4.484   5.520   5.520
  315   2HD2  LEU  43          3HD2      LEU  43  -3.997   3.842   3.842
  316   3HD2  LEU  43          1HD2      LEU  43  -5.702   4.281   4.281
  317    H    ALA  44           H        ALA  44  -1.528   4.336   4.336
  318    HA   ALA  44           HA       ALA  44  -0.116   6.721   6.721
  319   1HB   ALA  44          1HB       ALA  44  -0.920   5.926   5.926
  320   2HB   ALA  44          2HB       ALA  44   0.315   4.648   4.648
  321   3HB   ALA  44          3HB       ALA  44   0.804   6.352   6.352
  322    H    ARG  45           H        ARG  45   1.167   3.401   3.401
  323    HA   ARG  45           HA       ARG  45   3.881   4.234   4.234
  324   1HB   ARG  45          1HB       ARG  45   4.339   1.902   1.902
  325   2HB   ARG  45          2HB       ARG  45   3.474   1.979   1.979
  326   1HG   ARG  45          1HG       ARG  45   1.416   1.569   1.569
  327   2HG   ARG  45          2HG       ARG  45   2.160   1.483   1.483
  328   1HD   ARG  45          1HD       ARG  45   3.023  -0.378  -0.378
  329   2HD   ARG  45          2HD       ARG  45   1.609  -0.770  -0.770
  330    HE   ARG  45           HE       ARG  45   4.319  -0.935  -0.935
  331   1HH1  ARG  45          2HH2      ARG  45   1.052  -0.282  -0.282
  332   2HH1  ARG  45          1HH2      ARG  45   1.061  -1.562  -1.562
  333   1HH2  ARG  45          2HH1      ARG  45   4.276  -2.699  -2.699
  334   2HH2  ARG  45          1HH1      ARG  45   2.951  -2.817  -2.817
  335    H    ILE  46           H        ILE  46   1.231   3.928   3.928
  336    HA   ILE  46           HA       ILE  46   3.032   4.211   4.211
  337    HB   ILE  46           HB       ILE  46   0.012   4.466   4.466
  338   1HG1  ILE  46          1HG1      ILE  46   1.799   2.319   2.319
  339   2HG1  ILE  46          2HG1      ILE  46   1.089   2.181   2.181
  340   1HG2  ILE  46          2HG2      ILE  46   1.777   4.478   4.478
  341   2HG2  ILE  46          3HG2      ILE  46   0.000   4.464   4.464
  342   3HG2  ILE  46          1HG2      ILE  46   0.865   5.865   5.865
  343   1HD1  ILE  46          3HD1      ILE  46  -1.201   2.370   2.370
  344   2HD1  ILE  46          1HD1      ILE  46  -0.463   2.287   2.287
  345   3HD1  ILE  46          2HD1      ILE  46  -0.293   0.928   0.928
  346    H    GLU  47           H        GLU  47   0.741   6.423   6.423
  347    HA   GLU  47           HA       GLU  47   1.350   8.732   8.732
  348   1HB   GLU  47          1HB       GLU  47   0.592   8.384   8.384
  349   2HB   GLU  47          2HB       GLU  47   0.755   9.936   9.936
  350   1HG   GLU  47          1HG       GLU  47  -1.438   9.738   9.738
  351   2HG   GLU  47          2HG       GLU  47  -0.947   8.769   8.769
  352    H    ASN  48           H        ASN  48   2.870   7.585   7.585
  353    HA   ASN  48           HA       ASN  48   4.845   9.754   9.754
  354   1HB   ASN  48          1HB       ASN  48   4.581   7.280   7.280
  355   2HB   ASN  48          2HB       ASN  48   5.769   8.564   8.564
  356   1HD2  ASN  48          2HD2      ASN  48   1.864   9.285   9.285
  357   2HD2  ASN  48          1HD2      ASN  48   2.278   7.871   7.871
  358    H    LYS  49           H        LYS  49   4.702   6.704   6.704
  359    HA   LYS  49           HA       LYS  49   6.134   5.260   5.260
  360   1HB   LYS  49          1HB       LYS  49   7.892   7.700   7.700
  361   2HB   LYS  49          2HB       LYS  49   8.343   6.139   6.139
  362   1HG   LYS  49          1HG       LYS  49   5.649   7.334   7.334
  363   2HG   LYS  49          2HG       LYS  49   7.109   7.934   7.934
  364   1HD   LYS  49          1HD       LYS  49   5.994   6.211   6.211
  365   2HD   LYS  49          2HD       LYS  49   7.668   5.784   5.784
  366   1HE   LYS  49          1HE       LYS  49   6.935   4.250   4.250
  367   2HE   LYS  49          2HE       LYS  49   5.232   4.787   4.787
  368   1HZ   LYS  49          3HZ       LYS  49   6.780   3.269   3.269
  369   2HZ   LYS  49          1HZ       LYS  49   5.758   2.641   2.641
  370   3HZ   LYS  49          2HZ       LYS  49   5.173   3.655   3.655
  371    H    GLN  50           H        GLN  50   6.382   5.910   5.910
  372    HA   GLN  50           HA       GLN  50   9.035   4.607   4.607
  373   1HB   GLN  50          1HB       GLN  50   6.939   5.724   5.724
  374   2HB   GLN  50          2HB       GLN  50   8.369   4.807   4.807
  375   1HG   GLN  50          1HG       GLN  50   8.426   7.481   7.481
  376   2HG   GLN  50          2HG       GLN  50   8.745   7.222   7.222
  377   1HE2  GLN  50          2HE2      GLN  50  11.629   6.208   6.208
  378   2HE2  GLN  50          1HE2      GLN  50  10.064   6.841   6.841
  379    H    ASP  51           H        ASP  51   9.086   2.442   2.442
  380    HA   ASP  51           HA       ASP  51   6.587   0.965   0.965
  381   1HB   ASP  51          1HB       ASP  51   8.611   0.116   0.116
  382   2HB   ASP  51          2HB       ASP  51   9.448   0.083   0.083
  383    H    ILE  52           H        ILE  52   5.238   1.220   1.220
  384    HA   ILE  52           HA       ILE  52   6.157   0.888   0.888
  385    HB   ILE  52           HB       ILE  52   3.386   1.529   1.529
  386   1HG1  ILE  52          1HG1      ILE  52   5.530   3.383   3.383
  387   2HG1  ILE  52          2HG1      ILE  52   4.954   3.365   3.365
  388   1HG2  ILE  52          2HG2      ILE  52   3.461   0.421   0.421
  389   2HG2  ILE  52          3HG2      ILE  52   4.530   1.717   1.717
  390   3HG2  ILE  52          1HG2      ILE  52   2.860   2.068   2.068
  391   1HD1  ILE  52          3HD1      ILE  52   2.637   3.910   3.910
  392   2HD1  ILE  52          1HD1      ILE  52   3.387   4.207   4.207
  393   3HD1  ILE  52          2HD1      ILE  52   3.861   5.182   5.182
  394    H    GLN  53           H        GLN  53   5.907  -1.071  -1.071
  395    HA   GLN  53           HA       GLN  53   4.429  -3.214  -3.214
  396   1HB   GLN  53          1HB       GLN  53   7.082  -3.233  -3.233
  397   2HB   GLN  53          2HB       GLN  53   6.544  -3.719  -3.719
  398   1HG   GLN  53          1HG       GLN  53   5.676  -5.767  -5.767
  399   2HG   GLN  53          2HG       GLN  53   5.426  -5.139  -5.139
  400   1HE2  GLN  53          2HE2      GLN  53   8.433  -7.509  -7.509
  401   2HE2  GLN  53          1HE2      GLN  53   6.906  -7.647  -7.647
  402    H    ILE  54           H        ILE  54   3.425  -4.790  -4.790
  403    HA   ILE  54           HA       ILE  54   2.094  -3.149  -3.149
  404    HB   ILE  54           HB       ILE  54   1.622  -5.866  -5.866
  405   1HG1  ILE  54          1HG1      ILE  54  -0.142  -3.416  -3.416
  406   2HG1  ILE  54          2HG1      ILE  54   0.833  -3.715  -3.715
  407   1HG2  ILE  54          1HG2      ILE  54   0.221  -4.731  -4.731
  408   2HG2  ILE  54          2HG2      ILE  54  -0.272  -6.167  -6.167
  409   3HG2  ILE  54          3HG2      ILE  54   1.234  -6.197  -6.197
  410   1HD1  ILE  54          3HD1      ILE  54  -0.427  -5.856  -5.856
  411   2HD1  ILE  54          1HD1      ILE  54  -1.517  -5.376  -5.376
  412   3HD1  ILE  54          2HD1      ILE  54  -1.410  -4.383  -4.383
  413    H    VAL  55           H        VAL  55   2.983  -3.096  -3.096
  414    HA   VAL  55           HA       VAL  55   4.904  -5.156  -5.156
  415    HB   VAL  55           HB       VAL  55   3.430  -2.935  -2.935
  416   1HG1  VAL  55          3HG1      VAL  55   5.581  -4.854  -4.854
  417   2HG1  VAL  55          1HG1      VAL  55   4.992  -3.425  -3.425
  418   3HG1  VAL  55          2HG1      VAL  55   3.909  -4.790  -4.790
  419   1HG2  VAL  55          2HG2      VAL  55   6.323  -3.330  -3.330
  420   2HG2  VAL  55          3HG2      VAL  55   5.145  -2.168  -2.168
  421   3HG2  VAL  55          1HG2      VAL  55   5.750  -1.983  -1.983
  422    H    LYS  56           H        LYS  56   1.439  -4.246  -4.246
  423    HA   LYS  56           HA       LYS  56   0.816  -7.014  -7.014
  424   1HB   LYS  56          1HB       LYS  56   0.181  -6.569  -6.569
  425   2HB   LYS  56          2HB       LYS  56   1.923  -6.389  -6.389
  426   1HG   LYS  56          1HG       LYS  56   1.670  -3.946  -3.946
  427   2HG   LYS  56          2HG       LYS  56  -0.091  -4.092  -4.092
  428   1HD   LYS  56          1HD       LYS  56   0.080  -5.480  -5.480
  429   2HD   LYS  56          2HD       LYS  56   1.727  -4.825  -4.825
  430   1HE   LYS  56          1HE       LYS  56   0.410  -3.279  -3.279
  431   2HE   LYS  56          2HE       LYS  56   0.639  -2.515  -2.515
  432   1HZ   LYS  56          2HZ       LYS  56  -1.632  -3.369  -3.369
  433   2HZ   LYS  56          3HZ       LYS  56  -1.763  -3.932  -3.932
  434   3HZ   LYS  56          1HZ       LYS  56  -1.605  -2.327  -2.327
  435    H    ASP  57           H        ASP  57  -1.305  -7.300  -7.300
  436    HA   ASP  57           HA       ASP  57  -3.493  -5.850  -5.850
  437   1HB   ASP  57          1HB       ASP  57  -3.404  -7.670  -7.670
  438   2HB   ASP  57          2HB       ASP  57  -4.858  -7.156  -7.156
  439    H    GLY  58           H        GLY  58  -4.835  -4.345  -4.345
  440   1HA   GLY  58          1HA       GLY  58  -5.800  -2.974  -2.974
  441   2HA   GLY  58          2HA       GLY  58  -5.113  -3.872  -3.872
  442    H    GLU  59           H        GLU  59  -5.532  -1.286  -1.286
  443    HA   GLU  59           HA       GLU  59  -3.796   0.565   0.565
  444   1HB   GLU  59          1HB       GLU  59  -4.944   0.794   0.794
  445   2HB   GLU  59          2HB       GLU  59  -4.631   2.077   2.077
  446   1HG   GLU  59          1HG       GLU  59  -6.374   0.803   0.803
  447   2HG   GLU  59          2HG       GLU  59  -6.850   0.008   0.008
  448    H    CYS  60           H        CYS  60  -1.873   1.462   1.462
  449    HA   CYS  60           HA       CYS  60   0.050  -0.456  -0.456
  450   1HB   CYS  60          1HB       CYS  60   0.199   2.545   2.545
  451   2HB   CYS  60          2HB       CYS  60   1.631   1.534   1.534

  Start of MODEL    7
    1   1H    GLU   1          1HN       GLU   1  11.515  -6.258  -6.258
    2   2H    GLU   1          2HN       GLU   1  12.351  -4.893  -4.893
    3   3H    GLU   1          3HN       GLU   1  10.985  -5.373  -5.373
    4    HA   GLU   1           HA       GLU   1  10.226  -3.686  -3.686
    5   1HB   GLU   1          1HB       GLU   1  12.331  -4.157  -4.157
    6   2HB   GLU   1          2HB       GLU   1  11.146  -5.036  -5.036
    7   1HG   GLU   1          1HG       GLU   1  11.518  -2.675  -2.675
    8   2HG   GLU   1          2HG       GLU   1   9.832  -2.955  -2.955
    9    H    LYS   2           H        LYS   2   8.923  -4.672  -4.672
   10    HA   LYS   2           HA       LYS   2   7.845  -7.261  -7.261
   11   1HB   LYS   2          1HB       LYS   2   6.453  -5.390  -5.390
   12   2HB   LYS   2          2HB       LYS   2   5.688  -5.145  -5.145
   13   1HG   LYS   2          1HG       LYS   2   5.953  -7.763  -7.763
   14   2HG   LYS   2          2HG       LYS   2   4.500  -6.771  -6.771
   15   1HD   LYS   2          1HD       LYS   2   5.726  -8.043  -8.043
   16   2HD   LYS   2          2HD       LYS   2   4.580  -8.856  -8.856
   17   1HE   LYS   2          1HE       LYS   2   3.892  -6.100  -6.100
   18   2HE   LYS   2          2HE       LYS   2   3.716  -7.534  -7.534
   19   1HZ   LYS   2          3HZ       LYS   2   2.456  -7.334  -7.334
   20   2HZ   LYS   2          1HZ       LYS   2   1.661  -7.012  -7.012
   21   3HZ   LYS   2          2HZ       LYS   2   2.267  -8.507  -8.507
   22    H    GLN   3           H        GLN   3   8.974  -7.651  -7.651
   23    HA   GLN   3           HA       GLN   3   7.192  -7.446  -7.446
   24   1HB   GLN   3          1HB       GLN   3   8.767  -6.411  -6.411
   25   2HB   GLN   3          2HB       GLN   3   8.185  -5.309  -5.309
   26   1HG   GLN   3          1HG       GLN   3  10.436  -5.893  -5.893
   27   2HG   GLN   3          2HG       GLN   3  10.961  -6.437  -6.437
   28   1HE2  GLN   3          2HE2      GLN   3  10.483  -2.977  -2.977
   29   2HE2  GLN   3          1HE2      GLN   3   9.954  -4.599  -4.599
   30    H    VAL   4           H        VAL   4   7.467  -9.195  -9.195
   31    HA   VAL   4           HA       VAL   4   9.527 -11.192 -11.192
   32    HB   VAL   4           HB       VAL   4   6.667 -11.492 -11.492
   33   1HG1  VAL   4          2HG1      VAL   4   8.702 -13.639 -13.639
   34   2HG1  VAL   4          3HG1      VAL   4   6.981 -13.915 -13.915
   35   3HG1  VAL   4          1HG1      VAL   4   8.043 -13.343 -13.343
   36   1HG2  VAL   4          3HG2      VAL   4   7.952 -11.945 -11.945
   37   2HG2  VAL   4          1HG2      VAL   4   6.658 -10.806 -10.806
   38   3HG2  VAL   4          2HG2      VAL   4   6.336 -12.548 -12.548
   39    H    PHE   5           H        PHE   5   7.379 -10.693 -10.693
   40    HA   PHE   5           HA       PHE   5   9.458 -10.281 -10.281
   41   1HB   PHE   5          1HB       PHE   5   8.275 -11.603 -11.603
   42   2HB   PHE   5          2HB       PHE   5   8.469 -12.662 -12.662
   43    HD1  PHE   5          1HD       PHE   5   6.257 -12.387 -12.387
   44    HD2  PHE   5          1HD       PHE   5   6.249 -11.889 -11.889
   45    HE1  PHE   5          2HE       PHE   5   3.872 -11.758 -11.758
   46    HE2  PHE   5          1HE       PHE   5   3.788 -11.626 -11.626
   47    HZ   PHE   5           HZ       PHE   5   2.620 -11.390 -11.390
   48    H    SER   6           H        SER   6   8.150  -8.978  -8.978
   49    HA   SER   6           HA       SER   6   5.739  -7.631  -7.631
   50   1HB   SER   6          1HB       SER   6   6.208  -5.832  -5.832
   51   2HB   SER   6          2HB       SER   6   7.379  -5.962  -5.962
   52    HG   SER   6           HG       SER   6   8.717  -7.216  -7.216
   53    H    ARG   7           H        ARG   7   4.008  -7.240  -7.240
   54    HA   ARG   7           HA       ARG   7   3.698  -9.327  -9.327
   55   1HB   ARG   7          1HB       ARG   7   1.790  -7.694  -7.694
   56   2HB   ARG   7          2HB       ARG   7   1.377  -7.911  -7.911
   57   1HG   ARG   7          1HG       ARG   7   1.714 -10.371 -10.371
   58   2HG   ARG   7          2HG       ARG   7   2.037 -10.081 -10.081
   59   1HD   ARG   7          1HD       ARG   7  -0.502  -8.854  -8.854
   60   2HD   ARG   7          2HD       ARG   7  -0.470 -10.565 -10.565
   61    HE   ARG   7           HE       ARG   7  -0.830  -9.335  -9.335
   62   1HH1  ARG   7          2HH2      ARG   7   0.250 -12.333 -12.333
   63   2HH1  ARG   7          1HH2      ARG   7   0.486 -13.185 -13.185
   64   1HH2  ARG   7          2HH1      ARG   7  -0.746 -10.516 -10.516
   65   2HH2  ARG   7          1HH1      ARG   7  -0.622 -12.260 -12.260
   66    H    MET   8           H        MET   8   4.324  -8.918  -8.918
   67    HA   MET   8           HA       MET   8   4.494  -6.258  -6.258
   68   1HB   MET   8          1HB       MET   8   4.530  -9.119  -9.119
   69   2HB   MET   8          2HB       MET   8   4.550  -7.667  -7.667
   70   1HG   MET   8          1HG       MET   8   6.666  -6.973  -6.973
   71   2HG   MET   8          2HG       MET   8   6.658  -8.454  -8.454
   72   1HE   MET   8          3HE       MET   8   7.252  -6.755  -6.755
   73   2HE   MET   8          1HE       MET   8   7.397  -8.137  -8.137
   74   3HE   MET   8          2HE       MET   8   5.823  -7.736  -7.736
   75    HA   PRO   9           HA       PRO   9  -0.072  -6.835  -6.835
   76   1HB   PRO   9          1HB       PRO   9  -0.710  -4.487  -4.487
   77   2HB   PRO   9          2HB       PRO   9  -0.360  -4.639  -4.639
   78   1HG   PRO   9          1HG       PRO   9   1.565  -3.720  -3.720
   79   2HG   PRO   9          2HG       PRO   9   1.135  -2.958  -2.958
   80   1HD   PRO   9          1HD       PRO   9   3.340  -4.588  -4.588
   81   2HD   PRO   9          2HD       PRO   9   2.348  -4.569  -4.569
   82    H    ILE  10           H        ILE  10  -1.110  -7.649  -7.649
   83    HA   ILE  10           HA       ILE  10   0.147  -7.524  -7.524
   84    HB   ILE  10           HB       ILE  10  -2.327  -8.986  -8.986
   85   1HG1  ILE  10          1HG1      ILE  10  -0.419  -9.843  -9.843
   86   2HG1  ILE  10          2HG1      ILE  10  -1.103 -11.002 -11.002
   87   1HG2  ILE  10          1HG2      ILE  10  -0.718  -9.281  -9.281
   88   2HG2  ILE  10          2HG2      ILE  10  -1.996 -10.380 -10.380
   89   3HG2  ILE  10          3HG2      ILE  10  -2.382  -8.695  -8.695
   90   1HD1  ILE  10          1HD1      ILE  10   0.782 -10.623 -10.623
   91   2HD1  ILE  10          2HD1      ILE  10   1.460  -9.423  -9.423
   92   3HD1  ILE  10          3HD1      ILE  10   1.335 -11.123 -11.123
   93    H    CYS  11           H        CYS  11  -0.222  -5.223  -5.223
   94    HA   CYS  11           HA       CYS  11  -2.769  -4.018  -4.018
   95   1HB   CYS  11          1HB       CYS  11  -0.381  -3.051  -3.051
   96   2HB   CYS  11          2HB       CYS  11  -1.876  -2.122  -2.122
   97    H    GLU  12           H        GLU  12  -4.140  -5.393  -5.393
   98    HA   GLU  12           HA       GLU  12  -5.434  -6.514  -6.514
   99   1HB   GLU  12          1HB       GLU  12  -5.663  -3.912  -3.912
  100   2HB   GLU  12          2HB       GLU  12  -5.804  -5.098  -5.098
  101   1HG   GLU  12          1HG       GLU  12  -7.464  -4.971  -4.971
  102   2HG   GLU  12          2HG       GLU  12  -8.016  -4.641  -4.641
  103    H    HIS  13           H        HIS  13  -5.887  -7.287  -7.287
  104    HA   HIS  13           HA       HIS  13  -3.517  -8.919  -8.919
  105   1HB   HIS  13          1HB       HIS  13  -6.399  -9.882  -9.882
  106   2HB   HIS  13          2HB       HIS  13  -4.921 -10.832 -10.832
  107    HD1  HIS  13           HD1      HIS  13  -7.040  -8.805  -8.805
  108    HD2  HIS  13           HD2      HIS  13  -3.732 -11.454 -11.454
  109    HE1  HIS  13           HE1      HIS  13  -6.502  -9.444  -9.444
  110    HE2  HIS  13           HE2      HIS  13  -4.519 -11.083 -11.083
  111    H    MET  14           H        MET  14  -6.830  -7.678  -7.678
  112    HA   MET  14           HA       MET  14  -6.719  -8.304  -8.304
  113   1HB   MET  14          1HB       MET  14  -8.096  -6.069  -6.069
  114   2HB   MET  14          2HB       MET  14  -8.381  -6.372  -6.372
  115   1HG   MET  14          1HG       MET  14  -8.943  -8.291  -8.291
  116   2HG   MET  14          2HG       MET  14 -10.121  -7.379  -7.379
  117   1HE   MET  14          3HE       MET  14 -10.418  -7.769  -7.769
  118   2HE   MET  14          1HE       MET  14  -8.674  -7.915  -7.915
  119   3HE   MET  14          2HE       MET  14  -9.770  -9.202  -9.202
  120    H    THR  15           H        THR  15  -5.903  -5.271  -5.271
  121    HA   THR  15           HA       THR  15  -4.438  -3.650  -3.650
  122    HB   THR  15           HB       THR  15  -3.134  -5.842  -5.842
  123    HG1  THR  15           HG1      THR  15  -2.270  -3.236  -3.236
  124   1HG2  THR  15          1HG2      THR  15  -3.623  -4.945  -4.945
  125   2HG2  THR  15          2HG2      THR  15  -2.834  -3.417  -3.417
  126   3HG2  THR  15          3HG2      THR  15  -1.903  -4.924  -4.924
  127    H    GLU  16           H        GLU  16  -6.405  -4.832  -4.832
  128    HA   GLU  16           HA       GLU  16  -6.355  -2.530  -2.530
  129   1HB   GLU  16          1HB       GLU  16  -8.519  -4.651  -4.651
  130   2HB   GLU  16          2HB       GLU  16  -8.316  -3.583  -3.583
  131   1HG   GLU  16          1HG       GLU  16  -6.148  -4.622  -4.622
  132   2HG   GLU  16          2HG       GLU  16  -6.284  -5.707  -5.707
  133    H    SER  17           H        SER  17  -6.575  -1.178  -1.178
  134    HA   SER  17           HA       SER  17  -7.808   0.206   0.206
  135   1HB   SER  17          1HB       SER  17  -9.201   1.783   1.783
  136   2HB   SER  17          2HB       SER  17  -7.461   1.629   1.629
  137    HG   SER  17           HG       SER  17  -9.226  -0.036  -0.036
  138    HA   PRO  18           HA       PRO  18 -11.966  -1.699  -1.699
  139   1HB   PRO  18          1HB       PRO  18 -11.452  -3.385  -3.385
  140   2HB   PRO  18          2HB       PRO  18 -11.202  -3.928  -3.928
  141   1HG   PRO  18          1HG       PRO  18  -9.106  -2.789  -2.789
  142   2HG   PRO  18          2HG       PRO  18  -9.044  -4.343  -4.343
  143   1HD   PRO  18          1HD       PRO  18  -7.887  -2.065  -2.065
  144   2HD   PRO  18          2HD       PRO  18  -8.680  -3.259  -3.259
  145    H    ASP  19           H        ASP  19 -12.739  -1.515  -1.515
  146    HA   ASP  19           HA       ASP  19 -11.479   0.824   0.824
  147   1HB   ASP  19          1HB       ASP  19 -13.860   0.534   0.534
  148   2HB   ASP  19          2HB       ASP  19 -13.590  -1.135  -1.135
  149    H    CYS  20           H        CYS  20 -10.557   0.484   0.484
  150    HA   CYS  20           HA       CYS  20  -8.449  -1.476  -1.476
  151   1HB   CYS  20          1HB       CYS  20  -9.852   0.226   0.226
  152   2HB   CYS  20          2HB       CYS  20  -8.432  -0.767  -0.767
  153    H    SER  21           H        SER  21 -11.367  -1.047  -1.047
  154    HA   SER  21           HA       SER  21 -12.759  -3.190  -3.190
  155   1HB   SER  21          1HB       SER  21 -11.082  -4.827  -4.827
  156   2HB   SER  21          2HB       SER  21 -10.317  -3.834  -3.834
  157    HG   SER  21           HG       SER  21 -11.511  -5.515  -5.515
  158    H    ARG  22           H        ARG  22 -14.479  -2.191  -2.191
  159    HA   ARG  22           HA       ARG  22 -13.918  -0.284  -0.284
  160   1HB   ARG  22          1HB       ARG  22 -16.480  -1.384  -1.384
  161   2HB   ARG  22          2HB       ARG  22 -16.510  -0.268  -0.268
  162   1HG   ARG  22          1HG       ARG  22 -15.271   0.349   0.349
  163   2HG   ARG  22          2HG       ARG  22 -16.854   0.850   0.850
  164   1HD   ARG  22          1HD       ARG  22 -15.690   2.775   2.775
  165   2HD   ARG  22          2HD       ARG  22 -15.511   1.865   1.865
  166    HE   ARG  22           HE       ARG  22 -13.199   1.690   1.690
  167   1HH1  ARG  22          2HH2      ARG  22 -14.832   2.571   2.571
  168   2HH1  ARG  22          1HH2      ARG  22 -13.347   2.447   2.447
  169   1HH2  ARG  22          2HH1      ARG  22 -11.324   1.620   1.620
  170   2HH2  ARG  22          1HH1      ARG  22 -11.478   1.801   1.801
  171    H    ILE  23           H        ILE  23 -13.235  -3.234  -3.234
  172    HA   ILE  23           HA       ILE  23 -14.653  -3.715  -3.715
  173    HB   ILE  23           HB       ILE  23 -12.018  -4.712  -4.712
  174   1HG1  ILE  23          1HG1      ILE  23 -14.707  -6.088  -6.088
  175   2HG1  ILE  23          2HG1      ILE  23 -14.124  -5.495  -5.495
  176   1HG2  ILE  23          2HG2      ILE  23 -13.374  -5.474  -5.474
  177   2HG2  ILE  23          3HG2      ILE  23 -11.974  -6.314  -6.314
  178   3HG2  ILE  23          1HG2      ILE  23 -11.817  -4.644  -4.644
  179   1HD1  ILE  23          2HD1      ILE  23 -12.144  -7.040  -7.040
  180   2HD1  ILE  23          3HD1      ILE  23 -12.932  -7.773  -7.773
  181   3HD1  ILE  23          1HD1      ILE  23 -13.721  -7.835  -7.835
  182    H    TYR  24           H        TYR  24 -14.176  -2.737  -2.737
  183    HA   TYR  24           HA       TYR  24 -11.915  -0.794  -0.794
  184   1HB   TYR  24          1HB       TYR  24 -14.015  -0.028  -0.028
  185   2HB   TYR  24          2HB       TYR  24 -14.243  -1.559  -1.559
  186    HD1  TYR  24           HD2      TYR  24 -12.704  -2.230  -2.230
  187    HD2  TYR  24           HD1      TYR  24 -12.821   1.755   1.755
  188    HE1  TYR  24           HE2      TYR  24 -11.725  -1.347  -1.347
  189    HE2  TYR  24           HE1      TYR  24 -12.021   2.644   2.644
  190    HH   TYR  24           HH       TYR  24 -11.104   2.116   2.116
  191    H    ASP  25           H        ASP  25 -10.002  -1.675  -1.675
  192    HA   ASP  25           HA       ASP  25 -10.034  -3.927  -3.927
  193   1HB   ASP  25          1HB       ASP  25 -10.522  -5.262  -5.262
  194   2HB   ASP  25          2HB       ASP  25  -9.215  -4.474  -4.474
  195    HA   PRO  26           HA       PRO  26  -6.783  -0.807  -0.807
  196   1HB   PRO  26          1HB       PRO  26  -6.226  -0.483  -0.483
  197   2HB   PRO  26          2HB       PRO  26  -7.680   0.154   0.154
  198   1HG   PRO  26          1HG       PRO  26  -7.563  -2.343  -2.343
  199   2HG   PRO  26          2HG       PRO  26  -8.757  -1.021  -1.021
  200   1HD   PRO  26          1HD       PRO  26  -9.174  -3.304  -3.304
  201   2HD   PRO  26          2HD       PRO  26  -9.743  -1.723  -1.723
  202    H    VAL  27           H        VAL  27  -4.447  -0.636  -0.636
  203    HA   VAL  27           HA       VAL  27  -3.046  -3.055  -3.055
  204    HB   VAL  27           HB       VAL  27  -1.656  -3.109  -3.109
  205   1HG1  VAL  27          3HG1      VAL  27  -3.548  -4.711  -4.711
  206   2HG1  VAL  27          1HG1      VAL  27  -4.583  -3.602  -3.602
  207   3HG1  VAL  27          2HG1      VAL  27  -3.159  -4.317  -4.317
  208   1HG2  VAL  27          3HG2      VAL  27  -2.077  -0.844  -0.844
  209   2HG2  VAL  27          1HG2      VAL  27  -2.423  -2.095  -2.095
  210   3HG2  VAL  27          2HG2      VAL  27  -3.762  -1.299  -1.299
  211    H    CYS  28           H        CYS  28  -0.833  -2.560  -2.560
  212    HA   CYS  28           HA       CYS  28  -0.299   0.347   0.347
  213   1HB   CYS  28          1HB       CYS  28  -0.229  -1.098  -1.098
  214   2HB   CYS  28          2HB       CYS  28   0.994  -2.111  -2.111
  215    H    GLY  29           H        GLY  29   0.917   1.232   1.232
  216   1HA   GLY  29          1HA       GLY  29   2.591  -0.378  -0.378
  217   2HA   GLY  29          2HA       GLY  29   2.470   1.371   1.371
  218    H    THR  30           H        THR  30   4.917  -0.055  -0.055
  219    HA   THR  30           HA       THR  30   6.583  -0.060  -0.060
  220    HB   THR  30           HB       THR  30   8.362   0.351   0.351
  221    HG1  THR  30           HG1      THR  30   7.023   1.261   1.261
  222   1HG2  THR  30          2HG2      THR  30   6.397  -1.983  -1.983
  223   2HG2  THR  30          3HG2      THR  30   7.842  -2.001  -2.001
  224   3HG2  THR  30          1HG2      THR  30   7.995  -1.848  -1.848
  225    H    ASP  31           H        ASP  31   5.278   2.515   2.515
  226    HA   ASP  31           HA       ASP  31   6.922   4.673   4.673
  227   1HB   ASP  31          1HB       ASP  31   5.127   5.998   5.998
  228   2HB   ASP  31          2HB       ASP  31   5.737   4.697   4.697
  229    H    GLY  32           H        GLY  32   4.508   2.781   2.781
  230   1HA   GLY  32          1HA       GLY  32   3.652   2.987   2.987
  231   2HA   GLY  32          2HA       GLY  32   4.468   4.557   4.557
  232    H    VAL  33           H        VAL  33   2.482   3.995   3.995
  233    HA   VAL  33           HA       VAL  33   0.420   5.838   5.838
  234    HB   VAL  33           HB       VAL  33   0.879   4.648   4.648
  235   1HG1  VAL  33          3HG1      VAL  33  -1.177   6.653   6.653
  236   2HG1  VAL  33          1HG1      VAL  33  -0.848   6.383   6.383
  237   3HG1  VAL  33          2HG1      VAL  33  -1.499   5.071   5.071
  238   1HG2  VAL  33          3HG2      VAL  33   2.588   6.354   6.354
  239   2HG2  VAL  33          1HG2      VAL  33   1.599   6.843   6.843
  240   3HG2  VAL  33          2HG2      VAL  33   1.266   7.506   7.506
  241    H    THR  34           H        THR  34  -1.215   4.892   4.892
  242    HA   THR  34           HA       THR  34  -2.176   2.176   2.176
  243    HB   THR  34           HB       THR  34  -3.332   4.689   4.689
  244    HG1  THR  34           HG1      THR  34  -1.662   3.729   3.729
  245   1HG2  THR  34          3HG2      THR  34  -4.534   1.916   1.916
  246   2HG2  THR  34          1HG2      THR  34  -5.087   3.093   3.093
  247   3HG2  THR  34          2HG2      THR  34  -5.186   3.490   3.490
  248    H    TYR  35           H        TYR  35  -3.079   1.714   1.714
  249    HA   TYR  35           HA       TYR  35  -4.468   3.841   3.841
  250   1HB   TYR  35          1HB       TYR  35  -3.556   1.026   1.026
  251   2HB   TYR  35          2HB       TYR  35  -4.526   2.025   2.025
  252    HD1  TYR  35           HD2      TYR  35  -3.662   4.175   4.175
  253    HD2  TYR  35           HD1      TYR  35  -1.108   1.474   1.474
  254    HE1  TYR  35           HE2      TYR  35  -1.683   5.439   5.439
  255    HE2  TYR  35           HE1      TYR  35   0.879   2.710   2.710
  256    HH   TYR  35           HH       TYR  35   1.615   4.698   4.698
  257    H    GLU  36           H        GLU  36  -6.664   3.549   3.549
  258    HA   GLU  36           HA       GLU  36  -8.340   1.935   1.935
  259   1HB   GLU  36          1HB       GLU  36  -8.829   4.015   4.015
  260   2HB   GLU  36          2HB       GLU  36 -10.073   2.788   2.788
  261   1HG   GLU  36          1HG       GLU  36 -10.707   4.570   4.570
  262   2HG   GLU  36          2HG       GLU  36 -10.070   3.316   3.316
  263    H    SER  37           H        SER  37  -7.101   1.679   1.679
  264    HA   SER  37           HA       SER  37  -7.762  -1.119  -1.119
  265   1HB   SER  37          1HB       SER  37  -8.822  -0.839  -0.839
  266   2HB   SER  37          2HB       SER  37  -9.818  -0.729  -0.729
  267    HG   SER  37           HG       SER  37  -9.636   1.560   1.560
  268    H    GLU  38           H        GLU  38  -6.656  -2.209  -2.209
  269    HA   GLU  38           HA       GLU  38  -4.093  -1.552  -1.552
  270   1HB   GLU  38          1HB       GLU  38  -6.322  -3.195  -3.195
  271   2HB   GLU  38          2HB       GLU  38  -4.772  -3.033  -3.033
  272   1HG   GLU  38          1HG       GLU  38  -4.536  -3.666  -3.666
  273   2HG   GLU  38          2HG       GLU  38  -5.279  -4.922  -4.922
  274    H    CYS  39           H        CYS  39  -7.223  -0.620  -0.620
  275    HA   CYS  39           HA       CYS  39  -6.332   0.403   0.403
  276   1HB   CYS  39          1HB       CYS  39  -8.725   0.371   0.371
  277   2HB   CYS  39          2HB       CYS  39  -8.386   1.761   1.761
  278    H    LYS  40           H        LYS  40  -6.363   2.126   2.126
  279    HA   LYS  40           HA       LYS  40  -5.304   4.606   4.606
  280   1HB   LYS  40          1HB       LYS  40  -5.916   3.778   3.778
  281   2HB   LYS  40          2HB       LYS  40  -4.987   5.239   5.239
  282   1HG   LYS  40          1HG       LYS  40  -6.762   6.130   6.130
  283   2HG   LYS  40          2HG       LYS  40  -7.796   4.723   4.723
  284   1HD   LYS  40          1HD       LYS  40  -8.299   5.437   5.437
  285   2HD   LYS  40          2HD       LYS  40  -6.655   6.016   6.016
  286   1HE   LYS  40          1HE       LYS  40  -7.097   8.053   8.053
  287   2HE   LYS  40          2HE       LYS  40  -8.773   7.522   7.522
  288   1HZ   LYS  40          2HZ       LYS  40  -7.570   7.988   7.988
  289   2HZ   LYS  40          3HZ       LYS  40  -8.503   9.083   9.083
  290   3HZ   LYS  40          1HZ       LYS  40  -9.131   7.632   7.632
  291    H    LEU  41           H        LEU  41  -3.970   1.700   1.700
  292    HA   LEU  41           HA       LEU  41  -1.300   2.754   2.754
  293   1HB   LEU  41          1HB       LEU  41  -2.089   0.688   0.688
  294   2HB   LEU  41          2HB       LEU  41  -2.144  -0.142  -0.142
  295    HG   LEU  41           HG       LEU  41   0.409   1.198   1.198
  296   1HD1  LEU  41          2HD1      LEU  41  -0.348  -0.308  -0.308
  297   2HD1  LEU  41          3HD1      LEU  41  -0.534  -1.626  -1.626
  298   3HD1  LEU  41          1HD1      LEU  41   1.078  -0.963  -0.963
  299   1HD2  LEU  41          2HD2      LEU  41  -0.122  -1.142  -1.142
  300   2HD2  LEU  41          3HD2      LEU  41   0.567   0.422   0.422
  301   3HD2  LEU  41          1HD2      LEU  41   1.473  -0.635  -0.635
  302    H    CYS  42           H        CYS  42  -2.825   0.798   0.798
  303    HA   CYS  42           HA       CYS  42  -0.730   0.747   0.747
  304   1HB   CYS  42          1HB       CYS  42  -3.739   0.661   0.661
  305   2HB   CYS  42          2HB       CYS  42  -2.551   0.310   0.310
  306    H    LEU  43           H        LEU  43  -3.435   3.077   3.077
  307    HA   LEU  43           HA       LEU  43  -2.687   4.870   4.870
  308   1HB   LEU  43          1HB       LEU  43  -4.006   5.192   5.192
  309   2HB   LEU  43          2HB       LEU  43  -3.756   6.595   6.595
  310    HG   LEU  43           HG       LEU  43  -5.236   4.159   4.159
  311   1HD1  LEU  43          3HD1      LEU  43  -6.370   6.549   6.549
  312   2HD1  LEU  43          1HD1      LEU  43  -7.338   5.495   5.495
  313   3HD1  LEU  43          2HD1      LEU  43  -6.579   4.825   4.825
  314   1HD2  LEU  43          2HD2      LEU  43  -4.402   5.848   5.848
  315   2HD2  LEU  43          3HD2      LEU  43  -6.173   5.822   5.822
  316   3HD2  LEU  43          1HD2      LEU  43  -5.263   7.115   7.115
  317    H    ALA  44           H        ALA  44  -1.614   4.923   4.923
  318    HA   ALA  44           HA       ALA  44   0.136   7.132   7.132
  319   1HB   ALA  44          1HB       ALA  44  -0.579   6.346   6.346
  320   2HB   ALA  44          1HB       ALA  44   0.363   4.859   4.859
  321   3HB   ALA  44          2HB       ALA  44   1.186   6.426   6.426
  322    H    ARG  45           H        ARG  45   0.820   3.672   3.672
  323    HA   ARG  45           HA       ARG  45   3.572   3.604   3.604
  324   1HB   ARG  45          1HB       ARG  45   2.148   1.712   1.712
  325   2HB   ARG  45          2HB       ARG  45   1.251   1.864   1.864
  326   1HG   ARG  45          1HG       ARG  45   3.248   1.241   1.241
  327   2HG   ARG  45          2HG       ARG  45   4.172   1.088   1.088
  328   1HD   ARG  45          1HD       ARG  45   1.618  -0.501  -0.501
  329   2HD   ARG  45          2HD       ARG  45   3.241  -1.117  -1.117
  330    HE   ARG  45           HE       ARG  45   1.712  -1.027  -1.027
  331   1HH1  ARG  45          2HH2      ARG  45   5.041  -0.966  -0.966
  332   2HH1  ARG  45          1HH2      ARG  45   5.728  -1.668  -1.668
  333   1HH2  ARG  45          2HH1      ARG  45   2.731  -2.096  -2.096
  334   2HH2  ARG  45          1HH1      ARG  45   4.456  -2.373  -2.373
  335    H    ILE  46           H        ILE  46   0.824   3.840   3.840
  336    HA   ILE  46           HA       ILE  46   2.604   4.026   4.026
  337    HB   ILE  46           HB       ILE  46  -0.370   4.547   4.547
  338   1HG1  ILE  46          1HG1      ILE  46   1.082   2.259   2.259
  339   2HG1  ILE  46          2HG1      ILE  46   0.607   2.167   2.167
  340   1HG2  ILE  46          3HG2      ILE  46   1.254   4.450   4.450
  341   2HG2  ILE  46          1HG2      ILE  46  -0.518   4.473   4.473
  342   3HG2  ILE  46          2HG2      ILE  46   0.395   5.864   5.864
  343   1HD1  ILE  46          2HD1      ILE  46  -1.779   2.547   2.547
  344   2HD1  ILE  46          3HD1      ILE  46  -1.287   2.432   2.432
  345   3HD1  ILE  46          1HD1      ILE  46  -1.065   1.050   1.050
  346    H    GLU  47           H        GLU  47   0.903   6.473   6.473
  347    HA   GLU  47           HA       GLU  47   1.461   8.682   8.682
  348   1HB   GLU  47          1HB       GLU  47  -0.248   8.513   8.513
  349   2HB   GLU  47          2HB       GLU  47   1.101   8.641   8.641
  350   1HG   GLU  47          1HG       GLU  47   1.608  10.883  10.883
  351   2HG   GLU  47          2HG       GLU  47  -0.045  10.671  10.671
  352    H    ASN  48           H        ASN  48   3.047   7.417   7.417
  353    HA   ASN  48           HA       ASN  48   5.279   9.281   9.281
  354   1HB   ASN  48          1HB       ASN  48   4.854   6.646   6.646
  355   2HB   ASN  48          2HB       ASN  48   6.239   7.727   7.727
  356   1HD2  ASN  48          2HD2      ASN  48   2.696   8.958   8.958
  357   2HD2  ASN  48          1HD2      ASN  48   2.679   7.714   7.714
  358    H    LYS  49           H        LYS  49   4.599   6.131   6.131
  359    HA   LYS  49           HA       LYS  49   5.757   4.630   4.630
  360   1HB   LYS  49          1HB       LYS  49   7.538   6.968   6.968
  361   2HB   LYS  49          2HB       LYS  49   7.434   5.393   5.393
  362   1HG   LYS  49          1HG       LYS  49   5.080   5.815   5.815
  363   2HG   LYS  49          2HG       LYS  49   5.140   7.404   7.404
  364   1HD   LYS  49          1HD       LYS  49   6.359   8.403   8.403
  365   2HD   LYS  49          2HD       LYS  49   7.239   6.928   6.928
  366   1HE   LYS  49          1HE       LYS  49   5.059   6.018   6.018
  367   2HE   LYS  49          2HE       LYS  49   4.369   7.643   7.643
  368   1HZ   LYS  49          1HZ       LYS  49   6.828   7.020   7.020
  369   2HZ   LYS  49          2HZ       LYS  49   5.356   7.142   7.142
  370   3HZ   LYS  49          3HZ       LYS  49   6.030   8.475   8.475
  371    H    GLN  50           H        GLN  50   6.136   3.884   3.884
  372    HA   GLN  50           HA       GLN  50   9.067   3.778   3.778
  373   1HB   GLN  50          1HB       GLN  50   6.778   4.459   4.459
  374   2HB   GLN  50          2HB       GLN  50   8.340   3.869   3.869
  375   1HG   GLN  50          1HG       GLN  50   9.514   5.765   5.765
  376   2HG   GLN  50          2HG       GLN  50   8.037   6.385   6.385
  377   1HE2  GLN  50          2HE2      GLN  50   8.725   7.798   7.798
  378   2HE2  GLN  50          1HE2      GLN  50   9.856   7.595   7.595
  379    H    ASP  51           H        ASP  51   9.772   1.832   1.832
  380    HA   ASP  51           HA       ASP  51   8.059  -0.510  -0.510
  381   1HB   ASP  51          1HB       ASP  51  10.472  -0.521  -0.521
  382   2HB   ASP  51          2HB       ASP  51  10.897  -0.169  -0.169
  383    H    ILE  52           H        ILE  52   6.518   0.635   0.635
  384    HA   ILE  52           HA       ILE  52   7.147   0.712   0.712
  385    HB   ILE  52           HB       ILE  52   4.538   0.792   0.792
  386   1HG1  ILE  52          1HG1      ILE  52   6.206   2.921   2.921
  387   2HG1  ILE  52          2HG1      ILE  52   5.996   2.695   2.695
  388   1HG2  ILE  52          3HG2      ILE  52   4.904   1.281   1.281
  389   2HG2  ILE  52          1HG2      ILE  52   3.421   1.575   1.575
  390   3HG2  ILE  52          2HG2      ILE  52   3.990  -0.061  -0.061
  391   1HD1  ILE  52          3HD1      ILE  52   3.503   3.140   3.140
  392   2HD1  ILE  52          1HD1      ILE  52   3.936   3.696   3.696
  393   3HD1  ILE  52          2HD1      ILE  52   4.606   4.514   4.514
  394    H    GLN  53           H        GLN  53   6.088  -0.843  -0.843
  395    HA   GLN  53           HA       GLN  53   4.879  -3.190  -3.190
  396   1HB   GLN  53          1HB       GLN  53   7.578  -3.446  -3.446
  397   2HB   GLN  53          2HB       GLN  53   6.774  -4.006  -4.006
  398   1HG   GLN  53          1HG       GLN  53   6.084  -5.936  -5.936
  399   2HG   GLN  53          2HG       GLN  53   5.503  -5.078  -5.078
  400   1HE2  GLN  53          2HE2      GLN  53   8.922  -7.047  -7.047
  401   2HE2  GLN  53          1HE2      GLN  53   8.211  -6.876  -6.876
  402    H    ILE  54           H        ILE  54   3.840  -4.617  -4.617
  403    HA   ILE  54           HA       ILE  54   2.551  -2.815  -2.815
  404    HB   ILE  54           HB       ILE  54   1.879  -5.541  -5.541
  405   1HG1  ILE  54          1HG1      ILE  54   0.251  -2.986  -2.986
  406   2HG1  ILE  54          2HG1      ILE  54   1.434  -3.407  -3.407
  407   1HG2  ILE  54          3HG2      ILE  54   0.513  -3.945  -3.945
  408   2HG2  ILE  54          1HG2      ILE  54  -0.213  -5.359  -5.359
  409   3HG2  ILE  54          2HG2      ILE  54   1.254  -5.552  -5.552
  410   1HD1  ILE  54          3HD1      ILE  54   0.282  -5.514  -5.514
  411   2HD1  ILE  54          1HD1      ILE  54  -0.965  -5.121  -5.121
  412   3HD1  ILE  54          2HD1      ILE  54  -0.764  -4.101  -4.101
  413    H    VAL  55           H        VAL  55   3.427  -2.888  -2.888
  414    HA   VAL  55           HA       VAL  55   5.405  -4.949  -4.949
  415    HB   VAL  55           HB       VAL  55   4.118  -2.824  -2.824
  416   1HG1  VAL  55          3HG1      VAL  55   6.648  -4.521  -4.521
  417   2HG1  VAL  55          1HG1      VAL  55   6.216  -3.180  -3.180
  418   3HG1  VAL  55          2HG1      VAL  55   5.197  -4.624  -4.624
  419   1HG2  VAL  55          2HG2      VAL  55   6.705  -2.760  -2.760
  420   2HG2  VAL  55          3HG2      VAL  55   5.253  -1.759  -1.759
  421   3HG2  VAL  55          1HG2      VAL  55   6.220  -1.552  -1.552
  422    H    LYS  56           H        LYS  56   2.004  -4.098  -4.098
  423    HA   LYS  56           HA       LYS  56   1.467  -6.842  -6.842
  424   1HB   LYS  56          1HB       LYS  56   0.744  -6.372  -6.372
  425   2HB   LYS  56          2HB       LYS  56   2.464  -6.039  -6.039
  426   1HG   LYS  56          1HG       LYS  56   1.904  -3.588  -3.588
  427   2HG   LYS  56          2HG       LYS  56   0.218  -3.977  -3.977
  428   1HD   LYS  56          1HD       LYS  56   1.185  -5.047  -5.047
  429   2HD   LYS  56          2HD       LYS  56   2.720  -4.314  -4.314
  430   1HE   LYS  56          1HE       LYS  56   1.795  -2.728  -2.728
  431   2HE   LYS  56          2HE       LYS  56   1.468  -2.067  -2.067
  432   1HZ   LYS  56          3HZ       LYS  56  -0.472  -3.516  -3.516
  433   2HZ   LYS  56          1HZ       LYS  56  -0.387  -1.910  -1.910
  434   3HZ   LYS  56          2HZ       LYS  56  -0.830  -2.869  -2.869
  435    H    ASP  57           H        ASP  57  -0.681  -7.299  -7.299
  436    HA   ASP  57           HA       ASP  57  -2.383  -5.651  -5.651
  437   1HB   ASP  57          1HB       ASP  57  -3.167  -8.071  -8.071
  438   2HB   ASP  57          2HB       ASP  57  -3.953  -7.466  -7.466
  439    H    GLY  58           H        GLY  58  -4.440  -4.617  -4.617
  440   1HA   GLY  58          1HA       GLY  58  -5.798  -3.558  -3.558
  441   2HA   GLY  58          2HA       GLY  58  -5.042  -4.369  -4.369
  442    H    GLU  59           H        GLU  59  -5.406  -1.807  -1.807
  443    HA   GLU  59           HA       GLU  59  -3.692   0.023   0.023
  444   1HB   GLU  59          1HB       GLU  59  -4.594   0.193   0.193
  445   2HB   GLU  59          2HB       GLU  59  -4.218   1.517   1.517
  446   1HG   GLU  59          1HG       GLU  59  -6.484   1.595   1.595
  447   2HG   GLU  59          2HG       GLU  59  -6.242   0.222   0.222
  448    H    CYS  60           H        CYS  60  -2.045   1.372   1.372
  449    HA   CYS  60           HA       CYS  60   0.218  -0.303  -0.303
  450   1HB   CYS  60          1HB       CYS  60  -0.164   2.693   2.693
  451   2HB   CYS  60          2HB       CYS  60   1.334   1.851   1.851

  Start of MODEL    8
    1   1H    GLU   1          3HN       GLU   1  12.633  -5.532  -5.532
    2   2H    GLU   1          1HN       GLU   1  11.962  -4.061  -4.061
    3   3H    GLU   1          2HN       GLU   1  13.618  -4.306  -4.306
    4    HA   GLU   1           HA       GLU   1  13.571  -4.696  -4.696
    5   1HB   GLU   1          1HB       GLU   1  12.316  -2.104  -2.104
    6   2HB   GLU   1          2HB       GLU   1  12.678  -2.379  -2.379
    7   1HG   GLU   1          1HG       GLU   1  14.482  -1.137  -1.137
    8   2HG   GLU   1          2HG       GLU   1  15.068  -2.752  -2.752
    9    H    LYS   2           H        LYS   2  12.198  -4.244  -4.244
   10    HA   LYS   2           HA       LYS   2  10.659  -4.868  -4.868
   11   1HB   LYS   2          1HB       LYS   2   8.395  -4.319  -4.319
   12   2HB   LYS   2          2HB       LYS   2   9.361  -3.062  -3.062
   13   1HG   LYS   2          1HG       LYS   2   8.418  -5.169  -5.169
   14   2HG   LYS   2          2HG       LYS   2   7.116  -4.371  -4.371
   15   1HD   LYS   2          1HD       LYS   2   9.311  -2.738  -2.738
   16   2HD   LYS   2          2HD       LYS   2   7.937  -3.360  -3.360
   17   1HE   LYS   2          1HE       LYS   2   6.350  -2.195  -2.195
   18   2HE   LYS   2          2HE       LYS   2   7.688  -1.651  -1.651
   19   1HZ   LYS   2          3HZ       LYS   2   8.293  -0.729  -0.729
   20   2HZ   LYS   2          1HZ       LYS   2   6.659  -0.510  -0.510
   21   3HZ   LYS   2          2HZ       LYS   2   7.642   0.160   0.160
   22    H    GLN   3           H        GLN   3   8.719  -6.324  -6.324
   23    HA   GLN   3           HA       GLN   3   9.142  -9.014  -9.014
   24   1HB   GLN   3          1HB       GLN   3   7.667  -7.807  -7.807
   25   2HB   GLN   3          2HB       GLN   3   6.464  -8.547  -8.547
   26   1HG   GLN   3          1HG       GLN   3   7.587 -10.703 -10.703
   27   2HG   GLN   3          2HG       GLN   3   8.941 -10.024 -10.024
   28   1HE2  GLN   3          2HE2      GLN   3   6.841  -9.538  -9.538
   29   2HE2  GLN   3          1HE2      GLN   3   8.101  -8.711  -8.711
   30    H    VAL   4           H        VAL   4   7.825 -10.074 -10.074
   31    HA   VAL   4           HA       VAL   4   6.844 -10.359 -10.359
   32    HB   VAL   4           HB       VAL   4   5.121  -8.611  -8.611
   33   1HG1  VAL   4          2HG1      VAL   4   6.135  -6.636  -6.636
   34   2HG1  VAL   4          3HG1      VAL   4   5.699  -7.473  -7.473
   35   3HG1  VAL   4          1HG1      VAL   4   4.441  -6.963  -6.963
   36   1HG2  VAL   4          2HG2      VAL   4   4.534 -10.636 -10.636
   37   2HG2  VAL   4          3HG2      VAL   4   3.608  -9.252  -9.252
   38   3HG2  VAL   4          1HG2      VAL   4   4.978  -9.868  -9.868
   39    H    PHE   5           H        PHE   5   7.377 -10.066 -10.066
   40    HA   PHE   5           HA       PHE   5   9.243  -7.843  -7.843
   41   1HB   PHE   5          1HB       PHE   5   8.993 -10.533 -10.533
   42   2HB   PHE   5          2HB       PHE   5  10.157  -9.259  -9.259
   43    HD1  PHE   5          1HD       PHE   5  11.721  -8.566  -8.566
   44    HD2  PHE   5          1HD       PHE   5   9.604 -12.320 -12.320
   45    HE1  PHE   5          1HE       PHE   5  13.367  -9.625  -9.625
   46    HE2  PHE   5          2HE       PHE   5  11.136 -13.291 -13.291
   47    HZ   PHE   5           HZ       PHE   5  12.987 -11.916 -11.916
   48    H    SER   6           H        SER   6   8.627  -6.920  -6.920
   49    HA   SER   6           HA       SER   6   5.744  -6.717  -6.717
   50   1HB   SER   6          1HB       SER   6   6.241  -5.316  -5.316
   51   2HB   SER   6          2HB       SER   6   6.799  -4.677  -4.677
   52    HG   SER   6           HG       SER   6   8.883  -5.552  -5.552
   53    H    ARG   7           H        ARG   7   4.464  -6.969  -6.969
   54    HA   ARG   7           HA       ARG   7   5.112  -9.409  -9.409
   55   1HB   ARG   7          1HB       ARG   7   2.871 -10.221 -10.221
   56   2HB   ARG   7          2HB       ARG   7   3.631 -10.005 -10.005
   57   1HG   ARG   7          1HG       ARG   7   1.641  -9.132  -9.132
   58   2HG   ARG   7          2HG       ARG   7   2.331  -7.640  -7.640
   59   1HD   ARG   7          1HD       ARG   7   1.209  -8.020  -8.020
   60   2HD   ARG   7          2HD       ARG   7   0.695  -9.636  -9.636
   61    HE   ARG   7           HE       ARG   7  -0.443  -7.970  -7.970
   62   1HH1  ARG   7          2HH2      ARG   7  -0.738  -8.606  -8.606
   63   2HH1  ARG   7          1HH2      ARG   7  -2.341  -7.906  -7.906
   64   1HH2  ARG   7          2HH1      ARG   7  -2.561  -7.354  -7.354
   65   2HH2  ARG   7          1HH1      ARG   7  -3.400  -7.324  -7.324
   66    H    MET   8           H        MET   8   4.595  -9.209  -9.209
   67    HA   MET   8           HA       MET   8   4.335  -6.424  -6.424
   68   1HB   MET   8          1HB       MET   8   4.975  -8.923  -8.923
   69   2HB   MET   8          2HB       MET   8   4.946  -7.293  -7.293
   70   1HG   MET   8          1HG       MET   8   6.683  -6.525  -6.525
   71   2HG   MET   8          2HG       MET   8   6.614  -7.935  -7.935
   72   1HE   MET   8          1HE       MET   8   6.675 -10.449 -10.449
   73   2HE   MET   8          2HE       MET   8   8.423 -10.668 -10.668
   74   3HE   MET   8          3HE       MET   8   7.789 -10.133 -10.133
   75    HA   PRO   9           HA       PRO   9  -0.030  -7.152  -7.152
   76   1HB   PRO   9          1HB       PRO   9  -0.732  -4.642  -4.642
   77   2HB   PRO   9          2HB       PRO   9  -0.650  -5.318  -5.318
   78   1HG   PRO   9          1HG       PRO   9   1.565  -3.661  -3.661
   79   2HG   PRO   9          2HG       PRO   9   0.827  -3.403  -3.403
   80   1HD   PRO   9          1HD       PRO   9   3.117  -4.751  -4.751
   81   2HD   PRO   9          2HD       PRO   9   1.950  -5.265  -5.265
   82    H    ILE  10           H        ILE  10  -0.740  -6.879  -6.879
   83    HA   ILE  10           HA       ILE  10   1.736  -6.881  -6.881
   84    HB   ILE  10           HB       ILE  10  -0.728  -8.553  -8.553
   85   1HG1  ILE  10          1HG1      ILE  10   1.615  -9.379  -9.379
   86   2HG1  ILE  10          2HG1      ILE  10  -0.009  -8.992  -8.992
   87   1HG2  ILE  10          3HG2      ILE  10   1.114  -8.271  -8.271
   88   2HG2  ILE  10          1HG2      ILE  10   2.225  -9.043  -9.043
   89   3HG2  ILE  10          2HG2      ILE  10   0.823  -9.933  -9.933
   90   1HD1  ILE  10          3HD1      ILE  10  -0.972 -10.789 -10.789
   91   2HD1  ILE  10          1HD1      ILE  10   0.681 -11.331 -11.331
   92   3HD1  ILE  10          2HD1      ILE  10   0.086 -11.322 -11.322
   93    H    CYS  11           H        CYS  11   1.173  -4.533  -4.533
   94    HA   CYS  11           HA       CYS  11  -0.772  -4.066  -4.066
   95   1HB   CYS  11          1HB       CYS  11   0.972  -2.250  -2.250
   96   2HB   CYS  11          2HB       CYS  11   1.023  -1.993  -1.993
   97    H    GLU  12           H        GLU  12  -0.129  -3.969  -3.969
   98    HA   GLU  12           HA       GLU  12   2.590  -4.712  -4.712
   99   1HB   GLU  12          1HB       GLU  12   1.886  -4.997  -4.997
  100   2HB   GLU  12          2HB       GLU  12   0.862  -5.967  -5.967
  101   1HG   GLU  12          1HG       GLU  12   0.073  -3.385  -3.385
  102   2HG   GLU  12          2HG       GLU  12  -0.422  -5.017  -5.017
  103    H    HIS  13           H        HIS  13   0.074  -2.331  -2.331
  104    HA   HIS  13           HA       HIS  13   1.688   0.064   0.064
  105   1HB   HIS  13          1HB       HIS  13   1.305  -1.435  -1.435
  106   2HB   HIS  13          2HB       HIS  13   0.721   0.206   0.206
  107    HD1  HIS  13           HD1      HIS  13   2.511   2.185   2.185
  108    HD2  HIS  13           HD2      HIS  13   3.944  -1.776  -1.776
  109    HE1  HIS  13           HE1      HIS  13   4.981   2.283   2.283
  110    HE2  HIS  13           HE2      HIS  13   5.849  -0.140  -0.140
  111    H    MET  14           H        MET  14  -1.388  -1.648  -1.648
  112    HA   MET  14           HA       MET  14  -2.851   0.920   0.920
  113   1HB   MET  14          1HB       MET  14  -3.621  -1.982  -1.982
  114   2HB   MET  14          2HB       MET  14  -4.763  -0.639  -0.639
  115   1HG   MET  14          1HG       MET  14  -2.234  -0.604  -0.604
  116   2HG   MET  14          2HG       MET  14  -3.523  -1.726  -1.726
  117   1HE   MET  14          2HE       MET  14  -2.758   2.127   2.127
  118   2HE   MET  14          3HE       MET  14  -4.228   2.841   2.841
  119   3HE   MET  14          1HE       MET  14  -4.342   1.971   1.971
  120    H    THR  15           H        THR  15  -4.443  -1.862  -1.862
  121    HA   THR  15           HA       THR  15  -3.831  -1.180  -1.180
  122    HB   THR  15           HB       THR  15  -5.283   0.670   0.670
  123    HG1  THR  15           HG1      THR  15  -7.182  -0.449  -0.449
  124   1HG2  THR  15          2HG2      THR  15  -6.546  -0.186  -0.186
  125   2HG2  THR  15          3HG2      THR  15  -7.412  -1.320  -1.320
  126   3HG2  THR  15          1HG2      THR  15  -7.625   0.432   0.432
  127    H    GLU  16           H        GLU  16  -4.462  -2.746  -2.746
  128    HA   GLU  16           HA       GLU  16  -5.465  -5.297  -5.297
  129   1HB   GLU  16          1HB       GLU  16  -4.867  -4.205  -4.205
  130   2HB   GLU  16          2HB       GLU  16  -5.253  -5.898  -5.898
  131   1HG   GLU  16          1HG       GLU  16  -3.243  -6.140  -6.140
  132   2HG   GLU  16          2HG       GLU  16  -2.864  -4.437  -4.437
  133    H    SER  17           H        SER  17  -6.747  -2.327  -2.327
  134    HA   SER  17           HA       SER  17  -8.570  -1.981  -1.981
  135   1HB   SER  17          1HB       SER  17  -9.762  -2.820  -2.820
  136   2HB   SER  17          2HB       SER  17 -10.567  -1.836  -1.836
  137    HG   SER  17           HG       SER  17  -9.560  -0.502  -0.502
  138    HA   PRO  18           HA       PRO  18  -9.936  -6.310  -6.310
  139   1HB   PRO  18          1HB       PRO  18  -9.070  -6.304  -6.304
  140   2HB   PRO  18          2HB       PRO  18  -8.130  -6.932  -6.932
  141   1HG   PRO  18          1HG       PRO  18  -7.860  -4.254  -4.254
  142   2HG   PRO  18          2HG       PRO  18  -6.583  -5.357  -5.357
  143   1HD   PRO  18          1HD       PRO  18  -7.374  -3.172  -3.172
  144   2HD   PRO  18          2HD       PRO  18  -6.856  -4.717  -4.717
  145    H    ASP  19           H        ASP  19  -9.690  -3.481  -3.481
  146    HA   ASP  19           HA       ASP  19 -12.646  -3.495  -3.495
  147   1HB   ASP  19          1HB       ASP  19 -10.503  -3.928  -3.928
  148   2HB   ASP  19          2HB       ASP  19 -11.846  -2.910  -2.910
  149    H    CYS  20           H        CYS  20 -11.711  -1.902  -1.902
  150    HA   CYS  20           HA       CYS  20 -11.993   0.826   0.826
  151   1HB   CYS  20          1HB       CYS  20 -11.278  -0.095  -0.095
  152   2HB   CYS  20          2HB       CYS  20 -12.331   1.303   1.303
  153    H    SER  21           H        SER  21 -13.856  -0.231  -0.231
  154    HA   SER  21           HA       SER  21 -16.273   0.438   0.438
  155   1HB   SER  21          1HB       SER  21 -16.095  -2.270  -2.270
  156   2HB   SER  21          2HB       SER  21 -17.414  -1.649  -1.649
  157    HG   SER  21           HG       SER  21 -15.623  -1.477  -1.477
  158    H    ARG  22           H        ARG  22 -14.920   1.764   1.764
  159    HA   ARG  22           HA       ARG  22 -14.835   2.594   2.594
  160   1HB   ARG  22          1HB       ARG  22 -17.758   2.294   2.294
  161   2HB   ARG  22          2HB       ARG  22 -17.136   3.276   3.276
  162   1HG   ARG  22          1HG       ARG  22 -15.954   4.745   4.745
  163   2HG   ARG  22          2HG       ARG  22 -16.492   3.696   3.696
  164   1HD   ARG  22          1HD       ARG  22 -18.027   5.478   5.478
  165   2HD   ARG  22          2HD       ARG  22 -18.867   4.116   4.116
  166    HE   ARG  22           HE       ARG  22 -17.576   5.879   5.879
  167   1HH1  ARG  22          2HH2      ARG  22 -20.479   5.448   5.448
  168   2HH1  ARG  22          1HH2      ARG  22 -21.384   6.674   6.674
  169   1HH2  ARG  22          2HH1      ARG  22 -18.725   7.715   7.715
  170   2HH2  ARG  22          1HH1      ARG  22 -20.462   7.763   7.763
  171    H    ILE  23           H        ILE  23 -14.746  -0.406  -0.406
  172    HA   ILE  23           HA       ILE  23 -15.896  -1.369  -1.369
  173    HB   ILE  23           HB       ILE  23 -13.793  -2.313  -2.313
  174   1HG1  ILE  23          1HG1      ILE  23 -16.214  -2.158  -2.158
  175   2HG1  ILE  23          2HG1      ILE  23 -15.418  -3.683  -3.683
  176   1HG2  ILE  23          1HG2      ILE  23 -14.791  -3.777  -3.777
  177   2HG2  ILE  23          2HG2      ILE  23 -13.998  -4.575  -4.575
  178   3HG2  ILE  23          3HG2      ILE  23 -13.127  -3.357  -3.357
  179   1HD1  ILE  23          1HD1      ILE  23 -16.593  -4.536  -4.536
  180   2HD1  ILE  23          2HD1      ILE  23 -17.361  -2.937  -2.937
  181   3HD1  ILE  23          3HD1      ILE  23 -17.724  -3.943  -3.943
  182    H    TYR  24           H        TYR  24 -15.112  -0.979  -0.979
  183    HA   TYR  24           HA       TYR  24 -12.672   0.593   0.593
  184   1HB   TYR  24          1HB       TYR  24 -14.733   1.057   1.057
  185   2HB   TYR  24          2HB       TYR  24 -14.668  -0.521  -0.521
  186    HD1  TYR  24           HD2      TYR  24 -12.746   2.685   2.685
  187    HD2  TYR  24           HD1      TYR  24 -13.541  -0.719  -0.719
  188    HE1  TYR  24           HE2      TYR  24 -11.506   3.761   3.761
  189    HE2  TYR  24           HE1      TYR  24 -12.426   0.433   0.433
  190    HH   TYR  24           HH       TYR  24 -10.926   3.633   3.633
  191    H    ASP  25           H        ASP  25 -10.874  -0.762  -0.762
  192    HA   ASP  25           HA       ASP  25 -10.356  -2.920  -2.920
  193   1HB   ASP  25          1HB       ASP  25 -11.644  -4.047  -4.047
  194   2HB   ASP  25          2HB       ASP  25 -10.379  -3.559  -3.559
  195    HA   PRO  26           HA       PRO  26  -6.988  -0.237  -0.237
  196   1HB   PRO  26          1HB       PRO  26  -5.803   0.168   0.168
  197   2HB   PRO  26          2HB       PRO  26  -7.121   1.155   1.155
  198   1HG   PRO  26          1HG       PRO  26  -7.311  -1.148  -1.148
  199   2HG   PRO  26          2HG       PRO  26  -8.202   0.407   0.407
  200   1HD   PRO  26          1HD       PRO  26  -9.276  -1.919  -1.919
  201   2HD   PRO  26          2HD       PRO  26  -9.699  -0.349  -0.349
  202    H    VAL  27           H        VAL  27  -4.569  -0.339  -0.339
  203    HA   VAL  27           HA       VAL  27  -3.445  -2.848  -2.848
  204    HB   VAL  27           HB       VAL  27  -2.260  -3.312  -3.312
  205   1HG1  VAL  27          3HG1      VAL  27  -4.399  -4.542  -4.542
  206   2HG1  VAL  27          1HG1      VAL  27  -5.268  -3.432  -3.432
  207   3HG1  VAL  27          2HG1      VAL  27  -4.013  -4.500  -4.500
  208   1HG2  VAL  27          3HG2      VAL  27  -2.493  -1.084  -1.084
  209   2HG2  VAL  27          1HG2      VAL  27  -3.065  -2.372  -2.372
  210   3HG2  VAL  27          2HG2      VAL  27  -4.234  -1.347  -1.347
  211    H    CYS  28           H        CYS  28  -1.161  -2.639  -2.639
  212    HA   CYS  28           HA       CYS  28  -0.414   0.155   0.155
  213   1HB   CYS  28          1HB       CYS  28  -0.423  -1.663  -1.663
  214   2HB   CYS  28          2HB       CYS  28   0.854  -2.485  -2.485
  215    H    GLY  29           H        GLY  29   1.050   1.258   1.258
  216   1HA   GLY  29          1HA       GLY  29   2.333  -0.314  -0.314
  217   2HA   GLY  29          2HA       GLY  29   2.015   1.417   1.417
  218    H    THR  30           H        THR  30   4.593  -0.064  -0.064
  219    HA   THR  30           HA       THR  30   6.439   0.377   0.377
  220    HB   THR  30           HB       THR  30   8.142   0.377   0.377
  221    HG1  THR  30           HG1      THR  30   6.889   1.054   1.054
  222   1HG2  THR  30          3HG2      THR  30   6.151  -1.914  -1.914
  223   2HG2  THR  30          1HG2      THR  30   7.751  -2.043  -2.043
  224   3HG2  THR  30          2HG2      THR  30   7.633  -1.630  -1.630
  225    H    ASP  31           H        ASP  31   4.785   2.729   2.729
  226    HA   ASP  31           HA       ASP  31   6.854   4.766   4.766
  227   1HB   ASP  31          1HB       ASP  31   5.150   6.158   6.158
  228   2HB   ASP  31          2HB       ASP  31   4.905   4.557   4.557
  229    H    GLY  32           H        GLY  32   4.697   3.416   3.416
  230   1HA   GLY  32          1HA       GLY  32   5.133   3.761   3.761
  231   2HA   GLY  32          2HA       GLY  32   5.499   5.456   5.456
  232    H    VAL  33           H        VAL  33   2.869   4.616   4.616
  233    HA   VAL  33           HA       VAL  33   0.968   5.920   5.920
  234    HB   VAL  33           HB       VAL  33   0.947   5.449   5.449
  235   1HG1  VAL  33          2HG1      VAL  33  -0.804   7.295   7.295
  236   2HG1  VAL  33          3HG1      VAL  33  -0.735   7.194   7.194
  237   3HG1  VAL  33          1HG1      VAL  33  -1.349   5.832   5.832
  238   1HG2  VAL  33          3HG2      VAL  33   1.708   7.839   7.839
  239   2HG2  VAL  33          1HG2      VAL  33   2.798   6.971   6.971
  240   3HG2  VAL  33          2HG2      VAL  33   1.487   7.945   7.945
  241    H    THR  34           H        THR  34  -1.243   5.106   5.106
  242    HA   THR  34           HA       THR  34  -1.524   2.163   2.163
  243    HB   THR  34           HB       THR  34  -3.280   4.030   4.030
  244    HG1  THR  34           HG1      THR  34  -1.101   3.532   3.532
  245   1HG2  THR  34          1HG2      THR  34  -4.429   2.058   2.058
  246   2HG2  THR  34          2HG2      THR  34  -3.236   0.993   0.993
  247   3HG2  THR  34          3HG2      THR  34  -4.358   1.969   1.969
  248    H    TYR  35           H        TYR  35  -2.391   1.829   1.829
  249    HA   TYR  35           HA       TYR  35  -3.911   3.979   3.979
  250   1HB   TYR  35          1HB       TYR  35  -2.941   1.233   1.233
  251   2HB   TYR  35          2HB       TYR  35  -4.052   2.190   2.190
  252    HD1  TYR  35           HD1      TYR  35  -0.593   2.105   2.105
  253    HD2  TYR  35           HD2      TYR  35  -3.407   4.249   4.249
  254    HE1  TYR  35           HE1      TYR  35   1.210   3.610   3.610
  255    HE2  TYR  35           HE2      TYR  35  -1.614   5.811   5.811
  256    HH   TYR  35           HH       TYR  35   1.649   5.635   5.635
  257    H    GLU  36           H        GLU  36  -6.029   3.594   3.594
  258    HA   GLU  36           HA       GLU  36  -7.715   2.346   2.346
  259   1HB   GLU  36          1HB       GLU  36  -8.360   3.565   3.565
  260   2HB   GLU  36          2HB       GLU  36  -9.510   3.261   3.261
  261   1HG   GLU  36          1HG       GLU  36  -8.610   4.958   4.958
  262   2HG   GLU  36          2HG       GLU  36  -7.127   5.114   5.114
  263    H    SER  37           H        SER  37  -6.433   1.308   1.308
  264    HA   SER  37           HA       SER  37  -7.040  -1.372  -1.372
  265   1HB   SER  37          1HB       SER  37  -8.636  -1.578  -1.578
  266   2HB   SER  37          2HB       SER  37  -9.301  -1.260  -1.260
  267    HG   SER  37           HG       SER  37  -9.570   0.838   0.838
  268    H    GLU  38           H        GLU  38  -6.327  -2.667  -2.667
  269    HA   GLU  38           HA       GLU  38  -3.842  -1.596  -1.596
  270   1HB   GLU  38          1HB       GLU  38  -4.964  -3.884  -3.884
  271   2HB   GLU  38          2HB       GLU  38  -3.323  -3.587  -3.587
  272   1HG   GLU  38          1HG       GLU  38  -3.904  -5.190  -5.190
  273   2HG   GLU  38          2HG       GLU  38  -4.537  -3.836  -3.836
  274    H    CYS  39           H        CYS  39  -6.888  -1.347  -1.347
  275    HA   CYS  39           HA       CYS  39  -6.219  -0.941  -0.941
  276   1HB   CYS  39          1HB       CYS  39  -8.575  -0.999  -0.999
  277   2HB   CYS  39          2HB       CYS  39  -8.289   0.516   0.516
  278    H    LYS  40           H        LYS  40  -6.656   1.587   1.587
  279    HA   LYS  40           HA       LYS  40  -5.379   3.676   3.676
  280   1HB   LYS  40          1HB       LYS  40  -6.292   3.317   3.317
  281   2HB   LYS  40          2HB       LYS  40  -5.363   4.755   4.755
  282   1HG   LYS  40          1HG       LYS  40  -6.984   5.583   5.583
  283   2HG   LYS  40          2HG       LYS  40  -7.668   4.008   4.008
  284   1HD   LYS  40          1HD       LYS  40  -9.130   5.527   5.527
  285   2HD   LYS  40          2HD       LYS  40  -8.900   3.866   3.866
  286   1HE   LYS  40          1HE       LYS  40  -8.958   5.286   5.286
  287   2HE   LYS  40          2HE       LYS  40  -7.317   4.668   4.668
  288   1HZ   LYS  40          1HZ       LYS  40  -8.095   7.373   7.373
  289   2HZ   LYS  40          2HZ       LYS  40  -7.549   6.992   6.992
  290   3HZ   LYS  40          3HZ       LYS  40  -6.570   6.762   6.762
  291    H    LEU  41           H        LEU  41  -4.132   1.130   1.130
  292    HA   LEU  41           HA       LEU  41  -1.600   2.454   2.454
  293   1HB   LEU  41          1HB       LEU  41  -2.646   0.580   0.580
  294   2HB   LEU  41          2HB       LEU  41  -2.116  -0.522  -0.522
  295    HG   LEU  41           HG       LEU  41  -0.121   1.300   1.300
  296   1HD1  LEU  41          1HD1      LEU  41  -1.122  -1.426  -1.426
  297   2HD1  LEU  41          2HD1      LEU  41   0.322  -0.620  -0.620
  298   3HD1  LEU  41          3HD1      LEU  41  -1.267   0.108   0.108
  299   1HD2  LEU  41          1HD2      LEU  41   0.037  -1.281  -1.281
  300   2HD2  LEU  41          2HD2      LEU  41   0.931   0.255   0.255
  301   3HD2  LEU  41          3HD2      LEU  41   1.320  -0.794  -0.794
  302    H    CYS  42           H        CYS  42  -2.918   0.249   0.249
  303    HA   CYS  42           HA       CYS  42  -0.702   0.010   0.010
  304   1HB   CYS  42          1HB       CYS  42  -3.531  -0.483  -0.483
  305   2HB   CYS  42          2HB       CYS  42  -2.991   0.327   0.327
  306    H    LEU  43           H        LEU  43  -3.373   2.325   2.325
  307    HA   LEU  43           HA       LEU  43  -2.291   4.124   4.124
  308   1HB   LEU  43          1HB       LEU  43  -3.952   4.700   4.700
  309   2HB   LEU  43          2HB       LEU  43  -3.779   5.789   5.789
  310    HG   LEU  43           HG       LEU  43  -5.176   3.095   3.095
  311   1HD1  LEU  43          1HD1      LEU  43  -6.348   5.084   5.084
  312   2HD1  LEU  43          2HD1      LEU  43  -6.213   5.906   5.906
  313   3HD1  LEU  43          3HD1      LEU  43  -7.150   4.399   4.399
  314   1HD2  LEU  43          2HD2      LEU  43  -4.574   5.044   5.044
  315   2HD2  LEU  43          3HD2      LEU  43  -4.091   3.334   3.334
  316   3HD2  LEU  43          1HD2      LEU  43  -5.790   3.753   3.753
  317    H    ALA  44           H        ALA  44  -1.537   3.807   3.807
  318    HA   ALA  44           HA       ALA  44   0.048   6.111   6.111
  319   1HB   ALA  44          1HB       ALA  44  -0.952   4.867   4.867
  320   2HB   ALA  44          2HB       ALA  44   0.398   3.710   3.710
  321   3HB   ALA  44          1HB       ALA  44   0.706   5.421   5.421
  322    H    ARG  45           H        ARG  45   1.049   2.712   2.712
  323    HA   ARG  45           HA       ARG  45   3.857   3.168   3.168
  324   1HB   ARG  45          1HB       ARG  45   2.876   1.220   1.220
  325   2HB   ARG  45          2HB       ARG  45   4.143   1.051   1.051
  326   1HG   ARG  45          1HG       ARG  45   2.245   0.937   0.937
  327   2HG   ARG  45          2HG       ARG  45   1.181   0.923   0.923
  328   1HD   ARG  45          1HD       ARG  45   2.169  -1.284  -1.284
  329   2HD   ARG  45          2HD       ARG  45   2.918  -1.315  -1.315
  330    HE   ARG  45           HE       ARG  45   0.437  -0.641  -0.641
  331   1HH1  ARG  45          2HH2      ARG  45   1.383  -3.314  -3.314
  332   2HH1  ARG  45          1HH2      ARG  45  -0.282  -3.920  -3.920
  333   1HH2  ARG  45          2HH1      ARG  45  -1.744  -1.653  -1.653
  334   2HH2  ARG  45          1HH1      ARG  45  -1.851  -3.113  -3.113
  335    H    ILE  46           H        ILE  46   1.291   3.636   3.636
  336    HA   ILE  46           HA       ILE  46   3.113   4.475   4.475
  337    HB   ILE  46           HB       ILE  46   0.103   4.759   4.759
  338   1HG1  ILE  46          1HG1      ILE  46   1.585   2.810   2.810
  339   2HG1  ILE  46          2HG1      ILE  46   1.184   2.386   2.386
  340   1HG2  ILE  46          3HG2      ILE  46   1.885   5.156   5.156
  341   2HG2  ILE  46          1HG2      ILE  46   0.111   5.160   5.160
  342   3HG2  ILE  46          2HG2      ILE  46   0.974   6.434   6.434
  343   1HD1  ILE  46          1HD1      ILE  46  -1.203   2.770   2.770
  344   2HD1  ILE  46          2HD1      ILE  46  -0.861   3.131   3.131
  345   3HD1  ILE  46          3HD1      ILE  46  -0.511   1.523   1.523
  346    H    GLU  47           H        GLU  47   0.853   6.458   6.458
  347    HA   GLU  47           HA       GLU  47   1.657   8.857   8.857
  348   1HB   GLU  47          1HB       GLU  47   0.563  10.035  10.035
  349   2HB   GLU  47          2HB       GLU  47  -0.364   8.537   8.537
  350   1HG   GLU  47          1HG       GLU  47   1.092   7.545   7.545
  351   2HG   GLU  47          2HG       GLU  47   1.611   9.167   9.167
  352    H    ASN  48           H        ASN  48   2.995   7.129   7.129
  353    HA   ASN  48           HA       ASN  48   4.878   9.251   9.251
  354   1HB   ASN  48          1HB       ASN  48   4.601   6.462   6.462
  355   2HB   ASN  48          2HB       ASN  48   5.666   7.724   7.724
  356   1HD2  ASN  48          2HD2      ASN  48   1.712   7.778   7.778
  357   2HD2  ASN  48          1HD2      ASN  48   2.341   6.651   6.651
  358    H    LYS  49           H        LYS  49   4.944   6.433   6.433
  359    HA   LYS  49           HA       LYS  49   6.642   5.112   5.112
  360   1HB   LYS  49          1HB       LYS  49   7.948   7.797   7.797
  361   2HB   LYS  49          2HB       LYS  49   8.629   6.307   6.307
  362   1HG   LYS  49          1HG       LYS  49   5.813   7.212   7.212
  363   2HG   LYS  49          2HG       LYS  49   7.257   7.775   7.775
  364   1HD   LYS  49          1HD       LYS  49   6.968   6.132   6.132
  365   2HD   LYS  49          2HD       LYS  49   7.798   5.140   5.140
  366   1HE   LYS  49          1HE       LYS  49   4.742   5.358   5.358
  367   2HE   LYS  49          2HE       LYS  49   5.747   4.170   4.170
  368   1HZ   LYS  49          1HZ       LYS  49   6.522   3.469   3.469
  369   2HZ   LYS  49          2HZ       LYS  49   5.234   4.268   4.268
  370   3HZ   LYS  49          3HZ       LYS  49   5.001   3.049   3.049
  371    H    GLN  50           H        GLN  50   6.550   4.437   4.437
  372    HA   GLN  50           HA       GLN  50   9.318   3.886   3.886
  373   1HB   GLN  50          1HB       GLN  50   7.298   4.952   4.952
  374   2HB   GLN  50          2HB       GLN  50   8.763   4.048   4.048
  375   1HG   GLN  50          1HG       GLN  50  10.133   5.764   5.764
  376   2HG   GLN  50          2HG       GLN  50   8.668   6.722   6.722
  377   1HE2  GLN  50          2HE2      GLN  50   8.934   8.267   8.267
  378   2HE2  GLN  50          1HE2      GLN  50   8.157   8.235   8.235
  379    H    ASP  51           H        ASP  51   9.391   1.789   1.789
  380    HA   ASP  51           HA       ASP  51   7.186  -0.023  -0.023
  381   1HB   ASP  51          1HB       ASP  51   9.520  -0.809  -0.809
  382   2HB   ASP  51          2HB       ASP  51   9.727  -0.371  -0.371
  383    H    ILE  52           H        ILE  52   5.545   1.320   1.320
  384    HA   ILE  52           HA       ILE  52   5.549   1.233   1.233
  385    HB   ILE  52           HB       ILE  52   3.257   1.862   1.862
  386   1HG1  ILE  52          1HG1      ILE  52   5.351   3.515   3.515
  387   2HG1  ILE  52          2HG1      ILE  52   5.070   3.456   3.456
  388   1HG2  ILE  52          3HG2      ILE  52   2.640   1.052   1.052
  389   2HG2  ILE  52          1HG2      ILE  52   3.601   2.385   2.385
  390   3HG2  ILE  52          2HG2      ILE  52   2.161   2.707   2.707
  391   1HD1  ILE  52          3HD1      ILE  52   2.858   4.521   4.521
  392   2HD1  ILE  52          1HD1      ILE  52   3.229   4.699   4.699
  393   3HD1  ILE  52          2HD1      ILE  52   4.225   5.526   5.526
  394    H    GLN  53           H        GLN  53   5.936  -0.802  -0.802
  395    HA   GLN  53           HA       GLN  53   4.342  -3.041  -3.041
  396   1HB   GLN  53          1HB       GLN  53   6.976  -2.890  -2.890
  397   2HB   GLN  53          2HB       GLN  53   6.347  -3.374  -3.374
  398   1HG   GLN  53          1HG       GLN  53   5.360  -5.364  -5.364
  399   2HG   GLN  53          2HG       GLN  53   5.699  -4.807  -4.807
  400   1HE2  GLN  53          2HE2      GLN  53   9.288  -5.499  -5.499
  401   2HE2  GLN  53          1HE2      GLN  53   8.297  -4.132  -4.132
  402    H    ILE  54           H        ILE  54   3.255  -4.446  -4.446
  403    HA   ILE  54           HA       ILE  54   1.997  -2.822  -2.822
  404    HB   ILE  54           HB       ILE  54   1.391  -5.530  -5.530
  405   1HG1  ILE  54          1HG1      ILE  54  -0.350  -3.047  -3.047
  406   2HG1  ILE  54          2HG1      ILE  54   0.727  -3.272  -3.272
  407   1HG2  ILE  54          3HG2      ILE  54   0.176  -4.147  -4.147
  408   2HG2  ILE  54          1HG2      ILE  54  -0.583  -5.516  -5.516
  409   3HG2  ILE  54          2HG2      ILE  54   0.977  -5.736  -5.736
  410   1HD1  ILE  54          3HD1      ILE  54  -0.399  -5.497  -5.497
  411   2HD1  ILE  54          1HD1      ILE  54  -1.649  -4.991  -4.991
  412   3HD1  ILE  54          2HD1      ILE  54  -1.379  -4.049  -4.049
  413    H    VAL  55           H        VAL  55   2.948  -2.933  -2.933
  414    HA   VAL  55           HA       VAL  55   5.130  -4.809  -4.809
  415    HB   VAL  55           HB       VAL  55   3.612  -2.885  -2.885
  416   1HG1  VAL  55          2HG1      VAL  55   4.826  -4.698  -4.698
  417   2HG1  VAL  55          3HG1      VAL  55   6.306  -4.299  -4.299
  418   3HG1  VAL  55          1HG1      VAL  55   5.574  -3.119  -3.119
  419   1HG2  VAL  55          3HG2      VAL  55   6.245  -2.606  -2.606
  420   2HG2  VAL  55          1HG2      VAL  55   4.759  -1.681  -1.681
  421   3HG2  VAL  55          2HG2      VAL  55   5.636  -1.453  -1.453
  422    H    LYS  56           H        LYS  56   1.718  -4.248  -4.248
  423    HA   LYS  56           HA       LYS  56   1.135  -6.989  -6.989
  424   1HB   LYS  56          1HB       LYS  56   0.536  -7.464  -7.464
  425   2HB   LYS  56          2HB       LYS  56   2.256  -7.146  -7.146
  426   1HG   LYS  56          1HG       LYS  56   0.206  -5.040  -5.040
  427   2HG   LYS  56          2HG       LYS  56   0.846  -6.228  -6.228
  428   1HD   LYS  56          1HD       LYS  56   3.110  -5.347  -5.347
  429   2HD   LYS  56          2HD       LYS  56   2.597  -4.269  -4.269
  430   1HE   LYS  56          1HE       LYS  56   2.803  -3.016  -3.016
  431   2HE   LYS  56          2HE       LYS  56   1.145  -3.015  -3.015
  432   1HZ   LYS  56          1HZ       LYS  56   0.561  -4.673  -4.673
  433   2HZ   LYS  56          2HZ       LYS  56   2.123  -4.699  -4.699
  434   3HZ   LYS  56          3HZ       LYS  56   1.176  -3.368  -3.368
  435    H    ASP  57           H        ASP  57  -1.113  -7.403  -7.403
  436    HA   ASP  57           HA       ASP  57  -2.665  -5.336  -5.336
  437   1HB   ASP  57          1HB       ASP  57  -3.581  -7.942  -7.942
  438   2HB   ASP  57          2HB       ASP  57  -4.476  -6.945  -6.945
  439    H    GLY  58           H        GLY  58  -4.855  -4.627  -4.627
  440   1HA   GLY  58          1HA       GLY  58  -6.138  -3.782  -3.782
  441   2HA   GLY  58          2HA       GLY  58  -5.234  -4.695  -4.695
  442    H    GLU  59           H        GLU  59  -5.802  -2.432  -2.432
  443    HA   GLU  59           HA       GLU  59  -4.199  -0.156  -0.156
  444   1HB   GLU  59          1HB       GLU  59  -5.387  -1.232  -1.232
  445   2HB   GLU  59          2HB       GLU  59  -4.555   0.312   0.312
  446   1HG   GLU  59          1HG       GLU  59  -6.433   0.256   0.256
  447   2HG   GLU  59          2HG       GLU  59  -7.283  -0.344  -0.344
  448    H    CYS  60           H        CYS  60  -2.337   0.628   0.628
  449    HA   CYS  60           HA       CYS  60  -0.264  -1.342  -1.342
  450   1HB   CYS  60          1HB       CYS  60  -0.260   1.519   1.519
  451   2HB   CYS  60          2HB       CYS  60   1.210   0.529   0.529

  Start of MODEL    9
    1   1H    GLU   1          3HN       GLU   1   6.541 -17.805 -17.805
    2   2H    GLU   1          1HN       GLU   1   7.105 -17.198 -17.198
    3   3H    GLU   1          2HN       GLU   1   5.647 -17.959 -17.959
    4    HA   GLU   1           HA       GLU   1   4.635 -16.337 -16.337
    5   1HB   GLU   1          1HB       GLU   1   5.323 -14.199 -14.199
    6   2HB   GLU   1          2HB       GLU   1   4.343 -15.544 -15.544
    7   1HG   GLU   1          1HG       GLU   1   5.985 -14.830 -14.830
    8   2HG   GLU   1          2HG       GLU   1   6.195 -16.514 -16.514
    9    H    LYS   2           H        LYS   2   8.101 -15.633 -15.633
   10    HA   LYS   2           HA       LYS   2   7.951 -13.182 -13.182
   11   1HB   LYS   2          1HB       LYS   2  10.367 -13.232 -13.232
   12   2HB   LYS   2          2HB       LYS   2   9.579 -13.703 -13.703
   13   1HG   LYS   2          1HG       LYS   2  10.053 -16.111 -16.111
   14   2HG   LYS   2          2HG       LYS   2  10.872 -15.661 -15.661
   15   1HD   LYS   2          1HD       LYS   2  11.700 -14.898 -14.898
   16   2HD   LYS   2          2HD       LYS   2  12.461 -16.046 -16.046
   17   1HE   LYS   2          1HE       LYS   2  13.837 -14.358 -14.358
   18   2HE   LYS   2          2HE       LYS   2  12.520 -13.927 -13.927
   19   1HZ   LYS   2          2HZ       LYS   2  11.758 -12.319 -12.319
   20   2HZ   LYS   2          3HZ       LYS   2  12.990 -12.740 -12.740
   21   3HZ   LYS   2          1HZ       LYS   2  13.313 -12.075 -12.075
   22    H    GLN   3           H        GLN   3   6.670 -14.030 -14.030
   23    HA   GLN   3           HA       GLN   3   8.341 -14.430 -14.430
   24   1HB   GLN   3          1HB       GLN   3   5.500 -13.457 -13.457
   25   2HB   GLN   3          2HB       GLN   3   6.250 -13.434 -13.434
   26   1HG   GLN   3          1HG       GLN   3   6.110 -16.000 -16.000
   27   2HG   GLN   3          2HG       GLN   3   4.771 -15.409 -15.409
   28   1HE2  GLN   3          2HE2      GLN   3   6.165 -17.478 -17.478
   29   2HE2  GLN   3          1HE2      GLN   3   5.088 -17.523 -17.523
   30    H    VAL   4           H        VAL   4   6.397 -11.647 -11.647
   31    HA   VAL   4           HA       VAL   4   6.600  -9.461  -9.461
   32    HB   VAL   4           HB       VAL   4   9.117 -10.263 -10.263
   33   1HG1  VAL   4          2HG1      VAL   4   8.140  -7.452  -7.452
   34   2HG1  VAL   4          3HG1      VAL   4   9.078  -7.740  -7.740
   35   3HG1  VAL   4          1HG1      VAL   4   9.798  -8.070  -8.070
   36   1HG2  VAL   4          3HG2      VAL   4   7.048 -10.693 -10.693
   37   2HG2  VAL   4          1HG2      VAL   4   7.973  -9.414  -9.414
   38   3HG2  VAL   4          2HG2      VAL   4   6.552  -9.003  -9.003
   39    H    PHE   5           H        PHE   5   6.679 -10.643 -10.643
   40    HA   PHE   5           HA       PHE   5   8.878  -9.350  -9.350
   41   1HB   PHE   5          1HB       PHE   5   7.640 -12.066 -12.066
   42   2HB   PHE   5          2HB       PHE   5   7.977 -11.120 -11.120
   43    HD1  PHE   5          1HD       PHE   5  10.278 -10.205 -10.205
   44    HD2  PHE   5          1HD       PHE   5   9.553 -13.071 -13.071
   45    HE1  PHE   5          1HE       PHE   5  12.681 -10.751 -10.751
   46    HE2  PHE   5          2HE       PHE   5  11.950 -13.658 -13.658
   47    HZ   PHE   5           HZ       PHE   5  13.533 -12.493 -12.493
   48    H    SER   6           H        SER   6   8.182  -8.001  -8.001
   49    HA   SER   6           HA       SER   6   5.467  -7.133  -7.133
   50   1HB   SER   6          1HB       SER   6   6.362  -5.822  -5.822
   51   2HB   SER   6          2HB       SER   6   6.896  -5.364  -5.364
   52    HG   SER   6           HG       SER   6   8.308  -6.980  -6.980
   53    H    ARG   7           H        ARG   7   4.012  -7.093  -7.093
   54    HA   ARG   7           HA       ARG   7   4.014  -9.456  -9.456
   55   1HB   ARG   7          1HB       ARG   7   1.550  -9.540  -9.540
   56   2HB   ARG   7          2HB       ARG   7   2.509  -9.887  -9.887
   57   1HG   ARG   7          1HG       ARG   7   2.149  -7.317  -7.317
   58   2HG   ARG   7          2HG       ARG   7   0.842  -7.430  -7.430
   59   1HD   ARG   7          1HD       ARG   7   1.037  -9.320  -9.320
   60   2HD   ARG   7          2HD       ARG   7   0.445  -7.690  -7.690
   61    HE   ARG   7           HE       ARG   7  -1.532  -8.151  -8.151
   62   1HH1  ARG   7          2HH2      ARG   7   0.561 -10.984 -10.984
   63   2HH1  ARG   7          1HH2      ARG   7  -0.649 -11.887 -11.887
   64   1HH2  ARG   7          2HH1      ARG   7  -3.143  -9.380  -9.380
   65   2HH2  ARG   7          1HH1      ARG   7  -2.930 -11.003 -11.003
   66    H    MET   8           H        MET   8   3.350  -8.799  -8.799
   67    HA   MET   8           HA       MET   8   3.224  -5.839  -5.839
   68   1HB   MET   8          1HB       MET   8   3.590  -6.067  -6.067
   69   2HB   MET   8          2HB       MET   8   4.878  -6.855  -6.855
   70   1HG   MET   8          1HG       MET   8   4.220  -8.985  -8.985
   71   2HG   MET   8          2HG       MET   8   2.570  -8.487  -8.487
   72   1HE   MET   8          2HE       MET   8   6.302  -8.213  -8.213
   73   2HE   MET   8          3HE       MET   8   6.156  -7.307  -7.307
   74   3HE   MET   8          1HE       MET   8   5.780  -6.504  -6.504
   75    HA   PRO   9           HA       PRO   9  -1.146  -6.199  -6.199
   76   1HB   PRO   9          1HB       PRO   9  -1.412  -3.943  -3.943
   77   2HB   PRO   9          2HB       PRO   9  -1.422  -3.977  -3.977
   78   1HG   PRO   9          1HG       PRO   9   0.831  -3.080  -3.080
   79   2HG   PRO   9          2HG       PRO   9   0.306  -2.487  -2.487
   80   1HD   PRO   9          1HD       PRO   9   2.419  -4.253  -4.253
   81   2HD   PRO   9          2HD       PRO   9   1.523  -4.121  -4.121
   82    H    ILE  10           H        ILE  10  -1.562  -7.503  -7.503
   83    HA   ILE  10           HA       ILE  10   0.383  -7.794  -7.794
   84    HB   ILE  10           HB       ILE  10  -2.186  -9.254  -9.254
   85   1HG1  ILE  10          1HG1      ILE  10   0.745 -10.148 -10.148
   86   2HG1  ILE  10          2HG1      ILE  10  -0.083  -9.485  -9.485
   87   1HG2  ILE  10          1HG2      ILE  10  -1.719  -9.344  -9.344
   88   2HG2  ILE  10          2HG2      ILE  10  -0.089  -9.940  -9.940
   89   3HG2  ILE  10          3HG2      ILE  10  -1.528 -10.901 -10.901
   90   1HD1  ILE  10          1HD1      ILE  10  -1.766 -11.305 -11.305
   91   2HD1  ILE  10          2HD1      ILE  10  -0.833 -12.059 -12.059
   92   3HD1  ILE  10          3HD1      ILE  10  -0.108 -11.863 -11.863
   93    H    CYS  11           H        CYS  11   0.152  -5.573  -5.573
   94    HA   CYS  11           HA       CYS  11  -2.268  -4.470  -4.470
   95   1HB   CYS  11          1HB       CYS  11   0.606  -3.671  -3.671
   96   2HB   CYS  11          2HB       CYS  11  -0.844  -2.711  -2.711
   97    H    GLU  12           H        GLU  12  -3.142  -4.808  -4.808
   98    HA   GLU  12           HA       GLU  12  -2.060  -6.643  -6.643
   99   1HB   GLU  12          1HB       GLU  12  -4.465  -4.854  -4.854
  100   2HB   GLU  12          2HB       GLU  12  -3.997  -5.355  -5.355
  101   1HG   GLU  12          1HG       GLU  12  -4.178  -7.464  -7.464
  102   2HG   GLU  12          2HG       GLU  12  -5.669  -6.791  -6.791
  103    H    HIS  13           H        HIS  13  -2.871  -3.124  -3.124
  104    HA   HIS  13           HA       HIS  13  -0.242  -2.586  -2.586
  105   1HB   HIS  13          1HB       HIS  13  -1.634  -3.646  -3.646
  106   2HB   HIS  13          2HB       HIS  13  -2.743  -2.279  -2.279
  107    HD1  HIS  13           HD1      HIS  13  -2.032  -0.186  -0.186
  108    HD2  HIS  13           HD2      HIS  13   1.004  -3.047  -3.047
  109    HE1  HIS  13           HE1      HIS  13  -0.045   0.500   0.500
  110    HE2  HIS  13           HE2      HIS  13   1.807  -1.254  -1.254
  111    H    MET  14           H        MET  14   0.099  -0.331  -0.331
  112    HA   MET  14           HA       MET  14  -0.970   1.136   1.136
  113   1HB   MET  14          1HB       MET  14   0.855   1.955   1.955
  114   2HB   MET  14          2HB       MET  14   0.662   2.845   2.845
  115   1HG   MET  14          1HG       MET  14   1.846   0.058   0.058
  116   2HG   MET  14          2HG       MET  14   2.699   1.561   1.561
  117   1HE   MET  14          3HE       MET  14   3.540  -0.666  -0.666
  118   2HE   MET  14          1HE       MET  14   4.022   0.985   0.985
  119   3HE   MET  14          2HE       MET  14   3.423  -0.129  -0.129
  120    H    THR  15           H        THR  15  -2.985   0.700   0.700
  121    HA   THR  15           HA       THR  15  -3.872   3.522   3.522
  122    HB   THR  15           HB       THR  15  -4.700   2.576   2.576
  123    HG1  THR  15           HG1      THR  15  -3.700   0.961   0.961
  124   1HG2  THR  15          3HG2      THR  15  -3.072   4.445   4.445
  125   2HG2  THR  15          1HG2      THR  15  -1.750   3.269   3.269
  126   3HG2  THR  15          2HG2      THR  15  -2.638   3.406   3.406
  127    H    GLU  16           H        GLU  16  -5.401   3.233   3.233
  128    HA   GLU  16           HA       GLU  16  -7.448   1.118   1.118
  129   1HB   GLU  16          1HB       GLU  16  -7.068   3.384   3.384
  130   2HB   GLU  16          2HB       GLU  16  -8.400   2.231   2.231
  131   1HG   GLU  16          1HG       GLU  16  -6.595   0.385   0.385
  132   2HG   GLU  16          2HG       GLU  16  -5.448   1.691   1.691
  133    H    SER  17           H        SER  17  -8.960   1.545   1.545
  134    HA   SER  17           HA       SER  17  -9.491   4.230   4.230
  135   1HB   SER  17          1HB       SER  17 -11.195   1.747   1.747
  136   2HB   SER  17          2HB       SER  17 -11.377   3.319   3.319
  137    HG   SER  17           HG       SER  17 -10.142   1.976   1.976
  138    HA   PRO  18           HA       PRO  18 -13.273   4.278   4.278
  139   1HB   PRO  18          1HB       PRO  18 -13.990   2.349   2.349
  140   2HB   PRO  18          2HB       PRO  18 -14.091   2.051   2.051
  141   1HG   PRO  18          1HG       PRO  18 -11.853   1.240   1.240
  142   2HG   PRO  18          2HG       PRO  18 -12.709   0.204   0.204
  143   1HD   PRO  18          1HD       PRO  18 -10.326   1.503   1.503
  144   2HD   PRO  18          2HD       PRO  18 -11.496   1.088   1.088
  145    H    ASP  19           H        ASP  19 -13.801   4.798   4.798
  146    HA   ASP  19           HA       ASP  19 -11.584   5.491   5.491
  147   1HB   ASP  19          1HB       ASP  19 -13.633   6.823   6.823
  148   2HB   ASP  19          2HB       ASP  19 -14.620   5.374   5.374
  149    H    CYS  20           H        CYS  20 -11.635   4.433   4.433
  150    HA   CYS  20           HA       CYS  20 -11.055   1.622   1.622
  151   1HB   CYS  20          1HB       CYS  20 -11.478   3.428   3.428
  152   2HB   CYS  20          2HB       CYS  20 -11.054   1.722   1.722
  153    H    SER  21           H        SER  21 -12.279  -0.201  -0.201
  154    HA   SER  21           HA       SER  21 -15.133   0.145   0.145
  155   1HB   SER  21          1HB       SER  21 -13.718  -2.362  -2.362
  156   2HB   SER  21          2HB       SER  21 -15.227  -2.206  -2.206
  157    HG   SER  21           HG       SER  21 -13.813  -2.764  -2.764
  158    H    ARG  22           H        ARG  22 -14.102   1.698   1.698
  159    HA   ARG  22           HA       ARG  22 -14.134   2.153   2.153
  160   1HB   ARG  22          1HB       ARG  22 -16.875   1.065   1.065
  161   2HB   ARG  22          2HB       ARG  22 -16.581   1.955   1.955
  162   1HG   ARG  22          1HG       ARG  22 -15.961   3.914   3.914
  163   2HG   ARG  22          2HG       ARG  22 -15.621   3.165   3.165
  164   1HD   ARG  22          1HD       ARG  22 -18.009   2.801   2.801
  165   2HD   ARG  22          2HD       ARG  22 -18.410   3.344   3.344
  166    HE   ARG  22           HE       ARG  22 -18.174   5.514   5.514
  167   1HH1  ARG  22          2HH2      ARG  22 -16.614   3.552   3.552
  168   2HH1  ARG  22          1HH2      ARG  22 -15.752   4.945   4.945
  169   1HH2  ARG  22          2HH1      ARG  22 -17.072   7.355   7.355
  170   2HH2  ARG  22          1HH1      ARG  22 -16.006   6.932   6.932
  171    H    ILE  23           H        ILE  23 -12.785  -0.305  -0.305
  172    HA   ILE  23           HA       ILE  23 -13.686  -2.166  -2.166
  173    HB   ILE  23           HB       ILE  23 -10.941  -1.691  -1.691
  174   1HG1  ILE  23          1HG1      ILE  23 -12.554  -1.953  -1.953
  175   2HG1  ILE  23          2HG1      ILE  23 -11.507  -3.312  -3.312
  176   1HG2  ILE  23          1HG2      ILE  23 -12.183  -4.127  -4.127
  177   2HG2  ILE  23          2HG2      ILE  23 -10.628  -4.116  -4.116
  178   3HG2  ILE  23          3HG2      ILE  23 -10.858  -3.122  -3.122
  179   1HD1  ILE  23          2HD1      ILE  23 -13.332  -4.598  -4.598
  180   2HD1  ILE  23          3HD1      ILE  23 -14.402  -3.190  -3.190
  181   3HD1  ILE  23          1HD1      ILE  23 -13.849  -4.022  -4.022
  182    H    TYR  24           H        TYR  24 -13.487  -2.023  -2.023
  183    HA   TYR  24           HA       TYR  24 -11.626  -0.032  -0.032
  184   1HB   TYR  24          1HB       TYR  24 -14.139   0.535   0.535
  185   2HB   TYR  24          2HB       TYR  24 -14.330  -0.758  -0.758
  186    HD1  TYR  24           HD1      TYR  24 -12.583   2.438   2.438
  187    HD2  TYR  24           HD2      TYR  24 -13.705  -0.336  -0.336
  188    HE1  TYR  24           HE1      TYR  24 -11.603   3.936   3.936
  189    HE2  TYR  24           HE2      TYR  24 -12.694   1.159   1.159
  190    HH   TYR  24           HH       TYR  24 -10.915   4.125   4.125
  191    H    ASP  25           H        ASP  25 -10.155  -1.806  -1.806
  192    HA   ASP  25           HA       ASP  25 -10.277  -3.765  -3.765
  193   1HB   ASP  25          1HB       ASP  25 -11.207  -5.107  -5.107
  194   2HB   ASP  25          2HB       ASP  25 -10.128  -4.455  -4.455
  195    HA   PRO  26           HA       PRO  26  -6.800  -1.071  -1.071
  196   1HB   PRO  26          1HB       PRO  26  -5.917  -0.391  -0.391
  197   2HB   PRO  26          2HB       PRO  26  -7.338   0.321   0.321
  198   1HG   PRO  26          1HG       PRO  26  -7.324  -1.956  -1.956
  199   2HG   PRO  26          2HG       PRO  26  -8.354  -0.511  -0.511
  200   1HD   PRO  26          1HD       PRO  26  -9.195  -2.899  -2.899
  201   2HD   PRO  26          2HD       PRO  26  -9.632  -1.362  -1.362
  202    H    VAL  27           H        VAL  27  -4.498  -0.792  -0.792
  203    HA   VAL  27           HA       VAL  27  -3.026  -3.138  -3.138
  204    HB   VAL  27           HB       VAL  27  -1.772  -3.205  -3.205
  205   1HG1  VAL  27          1HG1      VAL  27  -3.558  -4.890  -4.890
  206   2HG1  VAL  27          2HG1      VAL  27  -4.715  -3.879  -3.879
  207   3HG1  VAL  27          3HG1      VAL  27  -3.337  -4.588  -4.588
  208   1HG2  VAL  27          2HG2      VAL  27  -2.442  -0.991  -0.991
  209   2HG2  VAL  27          3HG2      VAL  27  -2.764  -2.282  -2.282
  210   3HG2  VAL  27          1HG2      VAL  27  -4.099  -1.578  -1.578
  211    H    CYS  28           H        CYS  28  -0.834  -2.584  -2.584
  212    HA   CYS  28           HA       CYS  28  -0.327   0.328   0.328
  213   1HB   CYS  28          1HB       CYS  28  -0.236  -1.090  -1.090
  214   2HB   CYS  28          2HB       CYS  28   0.892  -2.187  -2.187
  215    H    GLY  29           H        GLY  29   0.945   1.250   1.250
  216   1HA   GLY  29          1HA       GLY  29   2.556  -0.348  -0.348
  217   2HA   GLY  29          2HA       GLY  29   2.422   1.405   1.405
  218    H    THR  30           H        THR  30   4.901  -0.089  -0.089
  219    HA   THR  30           HA       THR  30   6.565  -0.059  -0.059
  220    HB   THR  30           HB       THR  30   8.351   0.188   0.188
  221    HG1  THR  30           HG1      THR  30   7.034   0.943   0.943
  222   1HG2  THR  30          1HG2      THR  30   6.438  -2.177  -2.177
  223   2HG2  THR  30          2HG2      THR  30   8.025  -2.174  -2.174
  224   3HG2  THR  30          3HG2      THR  30   7.921  -1.940  -1.940
  225    H    ASP  31           H        ASP  31   5.217   2.542   2.542
  226    HA   ASP  31           HA       ASP  31   7.190   4.554   4.554
  227   1HB   ASP  31          1HB       ASP  31   5.485   6.068   6.068
  228   2HB   ASP  31          2HB       ASP  31   5.952   4.809   4.809
  229    H    GLY  32           H        GLY  32   4.573   2.858   2.858
  230   1HA   GLY  32          1HA       GLY  32   4.006   3.051   3.051
  231   2HA   GLY  32          2HA       GLY  32   4.627   4.706   4.706
  232    H    VAL  33           H        VAL  33   2.874   4.515   4.515
  233    HA   VAL  33           HA       VAL  33   0.670   6.024   6.024
  234    HB   VAL  33           HB       VAL  33   1.276   5.215   5.215
  235   1HG1  VAL  33          1HG1      VAL  33  -0.950   6.936   6.936
  236   2HG1  VAL  33          2HG1      VAL  33  -0.475   6.937   6.937
  237   3HG1  VAL  33          3HG1      VAL  33  -1.111   5.463   5.463
  238   1HG2  VAL  33          1HG2      VAL  33   2.865   6.893   6.893
  239   2HG2  VAL  33          2HG2      VAL  33   1.793   7.583   7.583
  240   3HG2  VAL  33          3HG2      VAL  33   1.504   7.929   7.929
  241    H    THR  34           H        THR  34  -1.315   5.136   5.136
  242    HA   THR  34           HA       THR  34  -1.715   2.224   2.224
  243    HB   THR  34           HB       THR  34  -3.361   4.293   4.293
  244    HG1  THR  34           HG1      THR  34  -1.473   3.465   3.465
  245   1HG2  THR  34          2HG2      THR  34  -3.959   1.395   1.395
  246   2HG2  THR  34          3HG2      THR  34  -4.794   2.324   2.324
  247   3HG2  THR  34          1HG2      THR  34  -4.920   2.823   2.823
  248    H    TYR  35           H        TYR  35  -2.915   1.597   1.597
  249    HA   TYR  35           HA       TYR  35  -4.384   3.668   3.668
  250   1HB   TYR  35          1HB       TYR  35  -3.075   1.081   1.081
  251   2HB   TYR  35          2HB       TYR  35  -4.088   2.122   2.122
  252    HD1  TYR  35           HD1      TYR  35  -3.333   4.347   4.347
  253    HD2  TYR  35           HD2      TYR  35  -0.800   1.859   1.859
  254    HE1  TYR  35           HE1      TYR  35  -1.436   5.855   5.855
  255    HE2  TYR  35           HE2      TYR  35   1.143   3.278   3.278
  256    HH   TYR  35           HH       TYR  35   1.832   5.225   5.225
  257    H    GLU  36           H        GLU  36  -6.472   3.193   3.193
  258    HA   GLU  36           HA       GLU  36  -7.912   1.490   1.490
  259   1HB   GLU  36          1HB       GLU  36  -8.791   2.825   2.825
  260   2HB   GLU  36          2HB       GLU  36  -9.843   2.232   2.232
  261   1HG   GLU  36          1HG       GLU  36  -8.743   3.853   3.853
  262   2HG   GLU  36          2HG       GLU  36  -7.845   4.553   4.553
  263    H    SER  37           H        SER  37  -6.379   0.874   0.874
  264    HA   SER  37           HA       SER  37  -7.065  -1.860  -1.860
  265   1HB   SER  37          1HB       SER  37  -9.240  -1.156  -1.156
  266   2HB   SER  37          2HB       SER  37  -8.488  -0.001  -0.001
  267    HG   SER  37           HG       SER  37  -8.465  -2.821  -2.821
  268    H    GLU  38           H        GLU  38  -5.988  -2.967  -2.967
  269    HA   GLU  38           HA       GLU  38  -3.541  -1.880  -1.880
  270   1HB   GLU  38          1HB       GLU  38  -5.220  -4.048  -4.048
  271   2HB   GLU  38          2HB       GLU  38  -3.536  -3.697  -3.697
  272   1HG   GLU  38          1HG       GLU  38  -3.270  -5.416  -5.416
  273   2HG   GLU  38          2HG       GLU  38  -3.349  -4.105  -4.105
  274    H    CYS  39           H        CYS  39  -6.869  -1.308  -1.308
  275    HA   CYS  39           HA       CYS  39  -6.197  -0.561  -0.561
  276   1HB   CYS  39          1HB       CYS  39  -8.527  -0.743  -0.743
  277   2HB   CYS  39          2HB       CYS  39  -8.363   0.604   0.604
  278    H    LYS  40           H        LYS  40  -6.730   1.648   1.648
  279    HA   LYS  40           HA       LYS  40  -5.516   3.904   3.904
  280   1HB   LYS  40          1HB       LYS  40  -5.975   3.394   3.394
  281   2HB   LYS  40          2HB       LYS  40  -5.471   4.918   4.918
  282   1HG   LYS  40          1HG       LYS  40  -7.624   4.678   4.678
  283   2HG   LYS  40          2HG       LYS  40  -8.163   3.536   3.536
  284   1HD   LYS  40          1HD       LYS  40  -7.613   5.430   5.430
  285   2HD   LYS  40          2HD       LYS  40  -7.234   6.422   6.422
  286   1HE   LYS  40          1HE       LYS  40  -9.361   7.119   7.119
  287   2HE   LYS  40          2HE       LYS  40  -9.644   6.038   6.038
  288   1HZ   LYS  40          2HZ       LYS  40  -9.949   5.287   5.287
  289   2HZ   LYS  40          3HZ       LYS  40 -11.164   5.767   5.767
  290   3HZ   LYS  40          1HZ       LYS  40 -10.397   4.347   4.347
  291    H    LEU  41           H        LEU  41  -4.067   1.226   1.226
  292    HA   LEU  41           HA       LEU  41  -1.613   2.735   2.735
  293   1HB   LEU  41          1HB       LEU  41  -2.446   0.724   0.724
  294   2HB   LEU  41          2HB       LEU  41  -1.899  -0.275  -0.275
  295    HG   LEU  41           HG       LEU  41  -0.138   1.697   1.697
  296   1HD1  LEU  41          1HD1      LEU  41  -0.951  -0.134  -0.134
  297   2HD1  LEU  41          2HD1      LEU  41  -0.300  -1.297  -1.297
  298   3HD1  LEU  41          3HD1      LEU  41   0.794  -0.226  -0.226
  299   1HD2  LEU  41          3HD2      LEU  41   0.627  -0.404  -0.404
  300   2HD2  LEU  41          1HD2      LEU  41   0.948   1.347   1.347
  301   3HD2  LEU  41          2HD2      LEU  41   1.748   0.373   0.373
  302    H    CYS  42           H        CYS  42  -2.781   0.290   0.290
  303    HA   CYS  42           HA       CYS  42  -0.474   0.163   0.163
  304   1HB   CYS  42          1HB       CYS  42  -3.390  -0.155  -0.155
  305   2HB   CYS  42          2HB       CYS  42  -2.116  -0.247  -0.247
  306    H    LEU  43           H        LEU  43  -3.272   2.383   2.383
  307    HA   LEU  43           HA       LEU  43  -2.319   4.172   4.172
  308   1HB   LEU  43          1HB       LEU  43  -3.971   4.546   4.546
  309   2HB   LEU  43          2HB       LEU  43  -3.756   5.851   5.851
  310    HG   LEU  43           HG       LEU  43  -5.157   3.207   3.207
  311   1HD1  LEU  43          1HD1      LEU  43  -6.345   5.058   5.058
  312   2HD1  LEU  43          2HD1      LEU  43  -6.232   6.047   6.047
  313   3HD1  LEU  43          3HD1      LEU  43  -7.140   4.524   4.524
  314   1HD2  LEU  43          2HD2      LEU  43  -4.440   5.479   5.479
  315   2HD2  LEU  43          3HD2      LEU  43  -4.089   3.738   3.738
  316   3HD2  LEU  43          1HD2      LEU  43  -5.745   4.322   4.322
  317    H    ALA  44           H        ALA  44  -1.740   4.381   4.381
  318    HA   ALA  44           HA       ALA  44  -0.189   6.714   6.714
  319   1HB   ALA  44          2HB       ALA  44  -1.099   5.829   5.829
  320   2HB   ALA  44          1HB       ALA  44   0.017   4.437   4.437
  321   3HB   ALA  44          1HB       ALA  44   0.652   6.074   6.074
  322    H    ARG  45           H        ARG  45   0.850   3.334   3.334
  323    HA   ARG  45           HA       ARG  45   3.666   3.745   3.745
  324   1HB   ARG  45          1HB       ARG  45   2.012   1.956   1.956
  325   2HB   ARG  45          2HB       ARG  45   3.773   1.931   1.931
  326   1HG   ARG  45          1HG       ARG  45   3.816   1.238   1.238
  327   2HG   ARG  45          2HG       ARG  45   2.100   1.569   1.569
  328   1HD   ARG  45          1HD       ARG  45   2.323  -0.861  -0.861
  329   2HD   ARG  45          2HD       ARG  45   1.530  -0.129  -0.129
  330    HE   ARG  45           HE       ARG  45   3.152  -0.482  -0.482
  331   1HH1  ARG  45          2HH2      ARG  45   4.219  -1.795  -1.795
  332   2HH1  ARG  45          1HH2      ARG  45   5.352  -2.828  -2.828
  333   1HH2  ARG  45          2HH1      ARG  45   4.415  -2.252  -2.252
  334   2HH2  ARG  45          1HH1      ARG  45   5.270  -3.280  -3.280
  335    H    ILE  46           H        ILE  46   1.281   4.587   4.587
  336    HA   ILE  46           HA       ILE  46   3.294   5.239   5.239
  337    HB   ILE  46           HB       ILE  46   0.370   6.082   6.082
  338   1HG1  ILE  46          1HG1      ILE  46   1.515   3.655   3.655
  339   2HG1  ILE  46          2HG1      ILE  46   0.769   3.526   3.526
  340   1HG2  ILE  46          3HG2      ILE  46   2.384   5.893   5.893
  341   2HG2  ILE  46          1HG2      ILE  46   0.657   6.226   6.226
  342   3HG2  ILE  46          2HG2      ILE  46   1.665   7.363   7.363
  343   1HD1  ILE  46          1HD1      ILE  46  -1.310   4.600   4.600
  344   2HD1  ILE  46          2HD1      ILE  46  -0.593   4.432   4.432
  345   3HD1  ILE  46          3HD1      ILE  46  -0.938   2.991   2.991
  346    H    GLU  47           H        GLU  47   1.120   7.058   7.058
  347    HA   GLU  47           HA       GLU  47   1.969   9.625   9.625
  348   1HB   GLU  47          1HB       GLU  47   0.899   8.676   8.676
  349   2HB   GLU  47          2HB       GLU  47   0.967  10.351  10.351
  350   1HG   GLU  47          1HG       GLU  47  -0.640   8.130   8.130
  351   2HG   GLU  47          2HG       GLU  47  -1.300   9.339   9.339
  352    H    ASN  48           H        ASN  48   3.185   7.572   7.572
  353    HA   ASN  48           HA       ASN  48   5.346   9.361   9.361
  354   1HB   ASN  48          1HB       ASN  48   4.406   6.648   6.648
  355   2HB   ASN  48          2HB       ASN  48   6.147   6.806   6.806
  356   1HD2  ASN  48          2HD2      ASN  48   4.065   8.817   8.817
  357   2HD2  ASN  48          1HD2      ASN  48   3.208   8.328   8.328
  358    H    LYS  49           H        LYS  49   4.961   6.716   6.716
  359    HA   LYS  49           HA       LYS  49   6.038   6.055   6.055
  360   1HB   LYS  49          1HB       LYS  49   8.424   7.823   7.823
  361   2HB   LYS  49          2HB       LYS  49   8.014   6.982   6.982
  362   1HG   LYS  49          1HG       LYS  49   5.925   8.412   8.412
  363   2HG   LYS  49          2HG       LYS  49   6.498   9.329   9.329
  364   1HD   LYS  49          1HD       LYS  49   7.369  10.656  10.656
  365   2HD   LYS  49          2HD       LYS  49   8.731   9.579   9.579
  366   1HE   LYS  49          1HE       LYS  49   8.551   9.577   9.577
  367   2HE   LYS  49          2HE       LYS  49   7.759   8.071   8.071
  368   1HZ   LYS  49          1HZ       LYS  49   5.613   9.360   9.360
  369   2HZ   LYS  49          2HZ       LYS  49   6.441  10.600  10.600
  370   3HZ   LYS  49          3HZ       LYS  49   6.409   9.146   9.146
  371    H    GLN  50           H        GLN  50   6.277   5.072   5.072
  372    HA   GLN  50           HA       GLN  50   8.902   3.625   3.625
  373   1HB   GLN  50          1HB       GLN  50   7.324   4.611   4.611
  374   2HB   GLN  50          2HB       GLN  50   8.468   3.268   3.268
  375   1HG   GLN  50          1HG       GLN  50   9.686   5.145   5.145
  376   2HG   GLN  50          2HG       GLN  50  10.252   4.740   4.740
  377   1HE2  GLN  50          2HE2      GLN  50   9.072   7.864   7.864
  378   2HE2  GLN  50          1HE2      GLN  50  10.032   6.400   6.400
  379    H    ASP  51           H        ASP  51   8.926   1.467   1.467
  380    HA   ASP  51           HA       ASP  51   6.465  -0.104  -0.104
  381   1HB   ASP  51          1HB       ASP  51   8.586  -0.669  -0.669
  382   2HB   ASP  51          2HB       ASP  51   9.383  -0.918  -0.918
  383    H    ILE  52           H        ILE  52   5.592   0.946   0.946
  384    HA   ILE  52           HA       ILE  52   6.873   0.624   0.624
  385    HB   ILE  52           HB       ILE  52   3.994   1.226   1.226
  386   1HG1  ILE  52          1HG1      ILE  52   6.177   3.120   3.120
  387   2HG1  ILE  52          2HG1      ILE  52   5.722   2.917   2.917
  388   1HG2  ILE  52          2HG2      ILE  52   4.075   0.345   0.345
  389   2HG2  ILE  52          3HG2      ILE  52   5.214   1.642   1.642
  390   3HG2  ILE  52          1HG2      ILE  52   3.559   2.012   2.012
  391   1HD1  ILE  52          1HD1      ILE  52   3.385   3.635   3.635
  392   2HD1  ILE  52          2HD1      ILE  52   3.963   4.053   4.053
  393   3HD1  ILE  52          3HD1      ILE  52   4.631   4.876   4.876
  394    H    GLN  53           H        GLN  53   6.263  -1.060  -1.060
  395    HA   GLN  53           HA       GLN  53   4.648  -3.320  -3.320
  396   1HB   GLN  53          1HB       GLN  53   7.306  -3.583  -3.583
  397   2HB   GLN  53          2HB       GLN  53   6.641  -3.919  -3.919
  398   1HG   GLN  53          1HG       GLN  53   5.327  -5.762  -5.762
  399   2HG   GLN  53          2HG       GLN  53   5.523  -5.253  -5.253
  400   1HE2  GLN  53          2HE2      GLN  53   8.945  -6.369  -6.369
  401   2HE2  GLN  53          1HE2      GLN  53   7.818  -5.095  -5.095
  402    H    ILE  54           H        ILE  54   3.516  -4.568  -4.568
  403    HA   ILE  54           HA       ILE  54   2.534  -2.649  -2.649
  404    HB   ILE  54           HB       ILE  54   1.464  -5.236  -5.236
  405   1HG1  ILE  54          1HG1      ILE  54   0.056  -2.574  -2.574
  406   2HG1  ILE  54          2HG1      ILE  54   1.227  -2.858  -2.858
  407   1HG2  ILE  54          1HG2      ILE  54   0.391  -3.661  -3.661
  408   2HG2  ILE  54          2HG2      ILE  54  -0.421  -5.028  -5.028
  409   3HG2  ILE  54          3HG2      ILE  54   1.081  -5.296  -5.296
  410   1HD1  ILE  54          2HD1      ILE  54   0.017  -4.842  -4.842
  411   2HD1  ILE  54          3HD1      ILE  54  -1.248  -4.531  -4.531
  412   3HD1  ILE  54          1HD1      ILE  54  -0.951  -3.369  -3.369
  413    H    VAL  55           H        VAL  55   3.359  -2.826  -2.826
  414    HA   VAL  55           HA       VAL  55   5.323  -4.880  -4.880
  415    HB   VAL  55           HB       VAL  55   3.952  -2.697  -2.697
  416   1HG1  VAL  55          1HG1      VAL  55   6.380  -4.435  -4.435
  417   2HG1  VAL  55          2HG1      VAL  55   5.800  -3.040  -3.040
  418   3HG1  VAL  55          3HG1      VAL  55   4.804  -4.480  -4.480
  419   1HG2  VAL  55          1HG2      VAL  55   6.639  -2.852  -2.852
  420   2HG2  VAL  55          2HG2      VAL  55   5.277  -1.763  -1.763
  421   3HG2  VAL  55          3HG2      VAL  55   6.184  -1.582  -1.582
  422    H    LYS  56           H        LYS  56   1.904  -4.107  -4.107
  423    HA   LYS  56           HA       LYS  56   1.424  -6.865  -6.865
  424   1HB   LYS  56          1HB       LYS  56   0.728  -6.602  -6.602
  425   2HB   LYS  56          2HB       LYS  56   2.356  -5.955  -5.955
  426   1HG   LYS  56          1HG       LYS  56   1.553  -3.660  -3.660
  427   2HG   LYS  56          2HG       LYS  56  -0.129  -4.171  -4.171
  428   1HD   LYS  56          1HD       LYS  56   0.338  -5.671  -5.671
  429   2HD   LYS  56          2HD       LYS  56   1.710  -4.596  -4.596
  430   1HE   LYS  56          1HE       LYS  56  -0.048  -3.795  -3.795
  431   2HE   LYS  56          2HE       LYS  56   0.098  -2.641  -2.641
  432   1HZ   LYS  56          3HZ       LYS  56  -1.921  -4.849  -4.849
  433   2HZ   LYS  56          1HZ       LYS  56  -2.139  -3.483  -3.483
  434   3HZ   LYS  56          2HZ       LYS  56  -1.910  -3.397  -3.397
  435    H    ASP  57           H        ASP  57  -0.783  -7.363  -7.363
  436    HA   ASP  57           HA       ASP  57  -2.634  -5.782  -5.782
  437   1HB   ASP  57          1HB       ASP  57  -3.369  -7.706  -7.706
  438   2HB   ASP  57          2HB       ASP  57  -4.240  -7.310  -7.310
  439    H    GLY  58           H        GLY  58  -4.481  -4.598  -4.598
  440   1HA   GLY  58          1HA       GLY  58  -5.662  -3.356  -3.356
  441   2HA   GLY  58          2HA       GLY  58  -4.858  -4.103  -4.103
  442    H    GLU  59           H        GLU  59  -5.356  -1.447  -1.447
  443    HA   GLU  59           HA       GLU  59  -3.497   0.305   0.305
  444   1HB   GLU  59          1HB       GLU  59  -4.497   0.698   0.698
  445   2HB   GLU  59          2HB       GLU  59  -4.149   1.901   1.901
  446   1HG   GLU  59          1HG       GLU  59  -6.429   1.930   1.930
  447   2HG   GLU  59          2HG       GLU  59  -6.190   0.546   0.546
  448    H    CYS  60           H        CYS  60  -1.690   1.391   1.391
  449    HA   CYS  60           HA       CYS  60   0.325  -0.364  -0.364
  450   1HB   CYS  60          1HB       CYS  60   0.257   2.676   2.676
  451   2HB   CYS  60          2HB       CYS  60   1.656   1.666   1.666

  Start of MODEL   10
    1   1H    GLU   1          3HN       GLU   1  12.992 -16.808 -16.808
    2   2H    GLU   1          1HN       GLU   1  13.798 -18.107 -18.107
    3   3H    GLU   1          2HN       GLU   1  14.624 -16.754 -16.754
    4    HA   GLU   1           HA       GLU   1  15.126 -17.761 -17.761
    5   1HB   GLU   1          1HB       GLU   1  14.053 -19.774 -19.774
    6   2HB   GLU   1          2HB       GLU   1  14.333 -19.877 -19.877
    7   1HG   GLU   1          1HG       GLU   1  11.937 -19.266 -19.266
    8   2HG   GLU   1          2HG       GLU   1  11.631 -19.222 -19.222
    9    H    LYS   2           H        LYS   2  13.404 -18.407 -18.407
   10    HA   LYS   2           HA       LYS   2  12.623 -15.668 -15.668
   11   1HB   LYS   2          1HB       LYS   2  13.845 -17.206 -17.206
   12   2HB   LYS   2          2HB       LYS   2  12.387 -18.186 -18.186
   13   1HG   LYS   2          1HG       LYS   2  12.438 -15.190 -15.190
   14   2HG   LYS   2          2HG       LYS   2  12.946 -16.400 -16.400
   15   1HD   LYS   2          1HD       LYS   2  10.751 -17.419 -17.419
   16   2HD   LYS   2          2HD       LYS   2  10.164 -16.436 -16.436
   17   1HE   LYS   2          1HE       LYS   2   9.270 -15.480 -15.480
   18   2HE   LYS   2          2HE       LYS   2  10.473 -14.358 -14.358
   19   1HZ   LYS   2          1HZ       LYS   2  10.858 -16.165 -16.165
   20   2HZ   LYS   2          2HZ       LYS   2  10.578 -14.561 -14.561
   21   3HZ   LYS   2          3HZ       LYS   2  12.000 -15.102 -15.102
   22    H    GLN   3           H        GLN   3  10.916 -15.227 -15.227
   23    HA   GLN   3           HA       GLN   3   8.464 -16.125 -16.125
   24   1HB   GLN   3          1HB       GLN   3   8.779 -17.672 -17.672
   25   2HB   GLN   3          2HB       GLN   3   8.495 -16.304 -16.304
   26   1HG   GLN   3          1HG       GLN   3   6.223 -16.133 -16.133
   27   2HG   GLN   3          2HG       GLN   3   6.527 -16.897 -16.897
   28   1HE2  GLN   3          2HE2      GLN   3   5.077 -19.853 -19.853
   29   2HE2  GLN   3          1HE2      GLN   3   4.872 -18.496 -18.496
   30    H    VAL   4           H        VAL   4  10.228 -13.730 -13.730
   31    HA   VAL   4           HA       VAL   4   8.236 -11.642 -11.642
   32    HB   VAL   4           HB       VAL   4  11.292 -11.606 -11.606
   33   1HG1  VAL   4          1HG1      VAL   4   9.323  -9.279  -9.279
   34   2HG1  VAL   4          2HG1      VAL   4  11.057  -9.158  -9.158
   35   3HG1  VAL   4          3HG1      VAL   4  10.529  -9.587  -9.587
   36   1HG2  VAL   4          3HG2      VAL   4  10.139 -12.309 -12.309
   37   2HG2  VAL   4          1HG2      VAL   4  11.007 -10.767 -10.767
   38   3HG2  VAL   4          2HG2      VAL   4   9.237 -10.777 -10.777
   39    H    PHE   5           H        PHE   5   7.496 -10.932 -10.932
   40    HA   PHE   5           HA       PHE   5   9.427 -10.103 -10.103
   41   1HB   PHE   5          1HB       PHE   5   8.339 -11.272 -11.272
   42   2HB   PHE   5          2HB       PHE   5   9.480 -12.204 -12.204
   43    HD1  PHE   5          1HD       PHE   5   5.899 -11.773 -11.773
   44    HD2  PHE   5          1HD       PHE   5   8.703 -14.122 -14.122
   45    HE1  PHE   5          2HE       PHE   5   4.197 -13.538 -13.538
   46    HE2  PHE   5          1HE       PHE   5   7.021 -15.940 -15.940
   47    HZ   PHE   5           HZ       PHE   5   4.758 -15.630 -15.630
   48    H    SER   6           H        SER   6   8.537  -8.416  -8.416
   49    HA   SER   6           HA       SER   6   5.914  -7.436  -7.436
   50   1HB   SER   6          1HB       SER   6   6.526  -5.905  -5.905
   51   2HB   SER   6          2HB       SER   6   7.373  -5.708  -5.708
   52    HG   SER   6           HG       SER   6   8.304  -7.273  -7.273
   53    H    ARG   7           H        ARG   7   4.350  -6.930  -6.930
   54    HA   ARG   7           HA       ARG   7   4.295  -9.187  -9.187
   55   1HB   ARG   7          1HB       ARG   7   1.659  -8.558  -8.558
   56   2HB   ARG   7          2HB       ARG   7   2.439  -9.981  -9.981
   57   1HG   ARG   7          1HG       ARG   7   2.369  -9.203  -9.203
   58   2HG   ARG   7          2HG       ARG   7   2.321  -7.495  -7.495
   59   1HD   ARG   7          1HD       ARG   7   0.183  -8.505  -8.505
   60   2HD   ARG   7          2HD       ARG   7   0.036  -7.524  -7.524
   61    HE   ARG   7           HE       ARG   7   0.312 -10.002 -10.002
   62   1HH1  ARG   7          2HH2      ARG   7  -1.976  -8.847  -8.847
   63   2HH1  ARG   7          1HH2      ARG   7  -3.374  -9.230  -9.230
   64   1HH2  ARG   7          2HH1      ARG   7  -1.416 -10.859 -10.859
   65   2HH2  ARG   7          1HH1      ARG   7  -3.067 -10.627 -10.627
   66    H    MET   8           H        MET   8   4.408  -8.279  -8.279
   67    HA   MET   8           HA       MET   8   3.835  -5.417  -5.417
   68   1HB   MET   8          1HB       MET   8   3.720  -6.231  -6.231
   69   2HB   MET   8          2HB       MET   8   5.216  -5.809  -5.809
   70   1HG   MET   8          1HG       MET   8   4.251  -8.679  -8.679
   71   2HG   MET   8          2HG       MET   8   5.181  -7.937  -7.937
   72   1HE   MET   8          3HE       MET   8   6.813  -9.898  -9.898
   73   2HE   MET   8          1HE       MET   8   7.823 -10.241 -10.241
   74   3HE   MET   8          2HE       MET   8   6.066 -10.557 -10.557
   75    HA   PRO   9           HA       PRO   9  -0.581  -6.339  -6.339
   76   1HB   PRO   9          1HB       PRO   9  -1.408  -3.890  -3.890
   77   2HB   PRO   9          2HB       PRO   9  -1.226  -4.306  -4.306
   78   1HG   PRO   9          1HG       PRO   9   0.621  -2.685  -2.685
   79   2HG   PRO   9          2HG       PRO   9   0.316  -2.575  -2.575
   80   1HD   PRO   9          1HD       PRO   9   2.536  -3.783  -3.783
   81   2HD   PRO   9          2HD       PRO   9   1.996  -4.080  -4.080
   82    H    ILE  10           H        ILE  10  -1.491  -7.283  -7.283
   83    HA   ILE  10           HA       ILE  10   0.215  -7.515  -7.515
   84    HB   ILE  10           HB       ILE  10  -2.220  -9.105  -9.105
   85   1HG1  ILE  10          1HG1      ILE  10  -0.516  -9.163  -9.163
   86   2HG1  ILE  10          2HG1      ILE  10  -0.655 -10.703 -10.703
   87   1HG2  ILE  10          3HG2      ILE  10   0.027  -9.720  -9.720
   88   2HG2  ILE  10          1HG2      ILE  10  -1.067 -10.940 -10.940
   89   3HG2  ILE  10          2HG2      ILE  10  -1.712  -9.627  -9.627
   90   1HD1  ILE  10          3HD1      ILE  10   1.430 -10.228 -10.228
   91   2HD1  ILE  10          1HD1      ILE  10   1.561  -8.653  -8.653
   92   3HD1  ILE  10          2HD1      ILE  10   1.688 -10.145 -10.145
   93    H    CYS  11           H        CYS  11  -0.094  -5.973  -5.973
   94    HA   CYS  11           HA       CYS  11  -2.820  -5.067  -5.067
   95   1HB   CYS  11          1HB       CYS  11  -0.474  -3.433  -3.433
   96   2HB   CYS  11          2HB       CYS  11  -1.911  -2.829  -2.829
   97    H    GLU  12           H        GLU  12  -2.215  -6.415  -6.415
   98    HA   GLU  12           HA       GLU  12  -0.638  -5.090  -5.090
   99   1HB   GLU  12          1HB       GLU  12  -0.072  -7.335  -7.335
  100   2HB   GLU  12          2HB       GLU  12   0.552  -7.077  -7.077
  101   1HG   GLU  12          1HG       GLU  12  -2.071  -8.564  -8.564
  102   2HG   GLU  12          2HG       GLU  12  -0.496  -9.349  -9.349
  103    H    HIS  13           H        HIS  13  -3.490  -4.750  -4.750
  104    HA   HIS  13           HA       HIS  13  -4.986  -6.577  -6.577
  105   1HB   HIS  13          1HB       HIS  13  -5.797  -4.058  -4.058
  106   2HB   HIS  13          2HB       HIS  13  -6.898  -5.060  -5.060
  107    HD1  HIS  13           HD1      HIS  13  -8.112  -5.301  -5.301
  108    HD2  HIS  13           HD2      HIS  13  -4.511  -7.396  -7.396
  109    HE1  HIS  13           HE1      HIS  13  -7.929  -7.157  -7.157
  110    HE2  HIS  13           HE2      HIS  13  -5.733  -8.409  -8.409
  111    H    MET  14           H        MET  14  -5.655  -6.322  -6.322
  112    HA   MET  14           HA       MET  14  -4.241  -4.373  -4.373
  113   1HB   MET  14          1HB       MET  14  -6.234  -6.581  -6.581
  114   2HB   MET  14          2HB       MET  14  -5.311  -5.642  -5.642
  115   1HG   MET  14          1HG       MET  14  -3.216  -6.518  -6.518
  116   2HG   MET  14          2HG       MET  14  -4.006  -7.326  -7.326
  117   1HE   MET  14          1HE       MET  14  -1.962  -8.860  -8.860
  118   2HE   MET  14          2HE       MET  14  -2.926  -9.632  -9.632
  119   3HE   MET  14          3HE       MET  14  -2.812 -10.393 -10.393
  120    H    THR  15           H        THR  15  -5.601  -2.711  -2.711
  121    HA   THR  15           HA       THR  15  -7.318  -1.401  -1.401
  122    HB   THR  15           HB       THR  15  -8.789  -1.536  -1.536
  123    HG1  THR  15           HG1      THR  15  -8.552  -3.921  -3.921
  124   1HG2  THR  15          3HG2      THR  15  -9.685  -0.606  -0.606
  125   2HG2  THR  15          1HG2      THR  15  -9.644  -2.233  -2.233
  126   3HG2  THR  15          2HG2      THR  15 -10.715  -1.889  -1.889
  127    H    GLU  16           H        GLU  16  -6.699   0.679   0.679
  128    HA   GLU  16           HA       GLU  16  -4.678   1.452   1.452
  129   1HB   GLU  16          1HB       GLU  16  -6.685   3.311   3.311
  130   2HB   GLU  16          2HB       GLU  16  -5.031   3.684   3.684
  131   1HG   GLU  16          1HG       GLU  16  -5.844   1.772   1.772
  132   2HG   GLU  16          2HG       GLU  16  -5.145   3.366   3.366
  133    H    SER  17           H        SER  17  -8.106   2.323   2.323
  134    HA   SER  17           HA       SER  17  -7.880   3.294   3.294
  135   1HB   SER  17          1HB       SER  17  -8.267   5.082   5.082
  136   2HB   SER  17          2HB       SER  17  -9.535   4.194   4.194
  137    HG   SER  17           HG       SER  17 -10.904   4.622   4.622
  138    HA   PRO  18           HA       PRO  18 -10.906  -0.201  -0.201
  139   1HB   PRO  18          1HB       PRO  18  -9.851  -1.518  -1.518
  140   2HB   PRO  18          2HB       PRO  18  -9.210  -1.789  -1.789
  141   1HG   PRO  18          1HG       PRO  18  -8.096   0.026   0.026
  142   2HG   PRO  18          2HG       PRO  18  -7.208  -1.161  -1.161
  143   1HD   PRO  18          1HD       PRO  18  -7.357   1.535   1.535
  144   2HD   PRO  18          2HD       PRO  18  -7.196   0.285   0.285
  145    H    ASP  19           H        ASP  19 -12.327  -0.282  -0.282
  146    HA   ASP  19           HA       ASP  19 -12.441   2.458   2.458
  147   1HB   ASP  19          1HB       ASP  19 -14.255   0.044   0.044
  148   2HB   ASP  19          2HB       ASP  19 -14.530   1.625   1.625
  149    H    CYS  20           H        CYS  20 -12.050   2.854   2.854
  150    HA   CYS  20           HA       CYS  20 -10.692   0.777   0.777
  151   1HB   CYS  20          1HB       CYS  20 -11.511   3.635   3.635
  152   2HB   CYS  20          2HB       CYS  20 -10.669   2.490   2.490
  153    H    SER  21           H        SER  21 -13.854   1.964   1.964
  154    HA   SER  21           HA       SER  21 -15.900   1.223   1.223
  155   1HB   SER  21          1HB       SER  21 -14.342  -0.686  -0.686
  156   2HB   SER  21          2HB       SER  21 -14.860  -1.563  -1.563
  157    HG   SER  21           HG       SER  21 -16.554  -0.219  -0.219
  158    H    ARG  22           H        ARG  22 -14.936   2.323   2.323
  159    HA   ARG  22           HA       ARG  22 -14.353   2.113   2.113
  160   1HB   ARG  22          1HB       ARG  22 -17.303   1.439   1.439
  161   2HB   ARG  22          2HB       ARG  22 -16.498   2.013   2.013
  162   1HG   ARG  22          1HG       ARG  22 -16.552   3.590   3.590
  163   2HG   ARG  22          2HG       ARG  22 -17.735   3.762   3.762
  164   1HD   ARG  22          1HD       ARG  22 -16.056   4.532   4.532
  165   2HD   ARG  22          2HD       ARG  22 -14.731   4.161   4.161
  166    HE   ARG  22           HE       ARG  22 -16.535   5.822   5.822
  167   1HH1  ARG  22          2HH2      ARG  22 -13.992   6.015   6.015
  168   2HH1  ARG  22          1HH2      ARG  22 -13.455   7.579   7.579
  169   1HH2  ARG  22          2HH1      ARG  22 -15.757   7.806   7.806
  170   2HH2  ARG  22          1HH1      ARG  22 -14.532   8.666   8.666
  171    H    ILE  23           H        ILE  23 -13.337  -0.027  -0.027
  172    HA   ILE  23           HA       ILE  23 -13.932  -2.409  -2.409
  173    HB   ILE  23           HB       ILE  23 -11.364  -1.445  -1.445
  174   1HG1  ILE  23          1HG1      ILE  23 -13.289  -3.650  -3.650
  175   2HG1  ILE  23          2HG1      ILE  23 -13.424  -2.001  -2.001
  176   1HG2  ILE  23          2HG2      ILE  23 -12.130  -4.123  -4.123
  177   2HG2  ILE  23          3HG2      ILE  23 -10.644  -3.863  -3.863
  178   3HG2  ILE  23          1HG2      ILE  23 -10.888  -3.037  -3.037
  179   1HD1  ILE  23          3HD1      ILE  23 -11.166  -2.089  -2.089
  180   2HD1  ILE  23          1HD1      ILE  23 -10.988  -3.772  -3.772
  181   3HD1  ILE  23          2HD1      ILE  23 -12.220  -3.360  -3.360
  182    H    TYR  24           H        TYR  24 -13.613  -2.510  -2.510
  183    HA   TYR  24           HA       TYR  24 -11.825  -0.460  -0.460
  184   1HB   TYR  24          1HB       TYR  24 -14.412  -0.243  -0.243
  185   2HB   TYR  24          2HB       TYR  24 -14.218  -1.590  -1.590
  186    HD1  TYR  24           HD2      TYR  24 -12.399  -1.302  -1.302
  187    HD2  TYR  24           HD1      TYR  24 -13.737   1.960   1.960
  188    HE1  TYR  24           HE2      TYR  24 -11.259   0.311   0.311
  189    HE2  TYR  24           HE1      TYR  24 -12.597   3.555   3.555
  190    HH   TYR  24           HH       TYR  24 -10.753   2.520   2.520
  191    H    ASP  25           H        ASP  25 -10.030  -1.688  -1.688
  192    HA   ASP  25           HA       ASP  25 -10.060  -4.162  -4.162
  193   1HB   ASP  25          1HB       ASP  25 -10.783  -4.870  -4.870
  194   2HB   ASP  25          2HB       ASP  25  -9.278  -4.233  -4.233
  195    HA   PRO  26           HA       PRO  26  -6.851  -0.914  -0.914
  196   1HB   PRO  26          1HB       PRO  26  -6.170  -0.666  -0.666
  197   2HB   PRO  26          2HB       PRO  26  -7.420   0.264   0.264
  198   1HG   PRO  26          1HG       PRO  26  -7.770  -2.247  -2.247
  199   2HG   PRO  26          2HG       PRO  26  -8.789  -0.778  -0.778
  200   1HD   PRO  26          1HD       PRO  26  -9.542  -2.960  -2.960
  201   2HD   PRO  26          2HD       PRO  26  -9.730  -1.345  -1.345
  202    H    VAL  27           H        VAL  27  -4.582  -0.731  -0.731
  203    HA   VAL  27           HA       VAL  27  -3.079  -3.016  -3.016
  204    HB   VAL  27           HB       VAL  27  -1.811  -3.162  -3.162
  205   1HG1  VAL  27          1HG1      VAL  27  -3.441  -4.928  -4.928
  206   2HG1  VAL  27          2HG1      VAL  27  -4.704  -4.108  -4.108
  207   3HG1  VAL  27          3HG1      VAL  27  -3.299  -4.781  -4.781
  208   1HG2  VAL  27          3HG2      VAL  27  -2.776  -1.075  -1.075
  209   2HG2  VAL  27          1HG2      VAL  27  -2.914  -2.517  -2.517
  210   3HG2  VAL  27          2HG2      VAL  27  -4.327  -1.911  -1.911
  211    H    CYS  28           H        CYS  28  -0.936  -2.395  -2.395
  212    HA   CYS  28           HA       CYS  28  -0.486   0.564   0.564
  213   1HB   CYS  28          1HB       CYS  28  -0.558  -0.529  -0.529
  214   2HB   CYS  28          2HB       CYS  28   0.836  -1.516  -1.516
  215    H    GLY  29           H        GLY  29   0.881   1.324   1.324
  216   1HA   GLY  29          1HA       GLY  29   2.576  -0.444  -0.444
  217   2HA   GLY  29          2HA       GLY  29   2.432   1.308   1.308
  218    H    THR  30           H        THR  30   4.925  -0.220  -0.220
  219    HA   THR  30           HA       THR  30   6.463   0.251   0.251
  220    HB   THR  30           HB       THR  30   8.351   0.023   0.023
  221    HG1  THR  30           HG1      THR  30   7.418   0.492   0.492
  222   1HG2  THR  30          1HG2      THR  30   6.293  -2.201  -2.201
  223   2HG2  THR  30          2HG2      THR  30   7.936  -2.392  -2.392
  224   3HG2  THR  30          3HG2      THR  30   7.712  -1.890  -1.890
  225    H    ASP  31           H        ASP  31   5.028   2.412   2.412
  226    HA   ASP  31           HA       ASP  31   6.936   4.581   4.581
  227   1HB   ASP  31          1HB       ASP  31   5.352   5.864   5.864
  228   2HB   ASP  31          2HB       ASP  31   5.329   4.293   4.293
  229    H    GLY  32           H        GLY  32   4.330   3.077   3.077
  230   1HA   GLY  32          1HA       GLY  32   4.268   3.307   3.307
  231   2HA   GLY  32          2HA       GLY  32   4.696   5.015   5.015
  232    H    VAL  33           H        VAL  33   2.465   4.224   4.224
  233    HA   VAL  33           HA       VAL  33   0.405   5.652   5.652
  234    HB   VAL  33           HB       VAL  33   0.751   5.149   5.149
  235   1HG1  VAL  33          1HG1      VAL  33  -1.284   6.743   6.743
  236   2HG1  VAL  33          2HG1      VAL  33  -1.054   6.944   6.944
  237   3HG1  VAL  33          3HG1      VAL  33  -1.638   5.399   5.399
  238   1HG2  VAL  33          3HG2      VAL  33   1.137   7.631   7.631
  239   2HG2  VAL  33          1HG2      VAL  33   2.417   6.684   6.684
  240   3HG2  VAL  33          2HG2      VAL  33   1.253   7.571   7.571
  241    H    THR  34           H        THR  34  -1.178   4.525   4.525
  242    HA   THR  34           HA       THR  34  -2.161   1.947   1.947
  243    HB   THR  34           HB       THR  34  -3.283   4.113   4.113
  244    HG1  THR  34           HG1      THR  34  -1.482   3.085   3.085
  245   1HG2  THR  34          2HG2      THR  34  -4.328   1.336   1.336
  246   2HG2  THR  34          3HG2      THR  34  -4.824   2.295   2.295
  247   3HG2  THR  34          1HG2      THR  34  -5.170   2.872   2.872
  248    H    TYR  35           H        TYR  35  -2.955   1.847   1.847
  249    HA   TYR  35           HA       TYR  35  -4.669   4.062   4.062
  250   1HB   TYR  35          1HB       TYR  35  -3.503   1.578   1.578
  251   2HB   TYR  35          2HB       TYR  35  -4.609   2.692   2.692
  252    HD1  TYR  35           HD2      TYR  35  -3.901   5.078   5.078
  253    HD2  TYR  35           HD1      TYR  35  -1.170   2.181   2.181
  254    HE1  TYR  35           HE2      TYR  35  -2.003   6.570   6.570
  255    HE2  TYR  35           HE1      TYR  35   0.736   3.603   3.603
  256    HH   TYR  35           HH       TYR  35   1.329   5.801   5.801
  257    H    GLU  36           H        GLU  36  -6.851   3.687   3.687
  258    HA   GLU  36           HA       GLU  36  -8.187   1.925   1.925
  259   1HB   GLU  36          1HB       GLU  36  -9.338   3.172   3.172
  260   2HB   GLU  36          2HB       GLU  36 -10.223   2.648   2.648
  261   1HG   GLU  36          1HG       GLU  36  -9.268   4.414   4.414
  262   2HG   GLU  36          2HG       GLU  36  -8.193   4.938   4.938
  263    H    SER  37           H        SER  37  -7.082   1.414   1.414
  264    HA   SER  37           HA       SER  37  -7.281  -1.337  -1.337
  265   1HB   SER  37          1HB       SER  37  -8.745  -2.049  -2.049
  266   2HB   SER  37          2HB       SER  37  -9.655  -1.030  -1.030
  267    HG   SER  37           HG       SER  37  -8.897  -0.595  -0.595
  268    H    GLU  38           H        GLU  38  -6.545  -2.523  -2.523
  269    HA   GLU  38           HA       GLU  38  -4.005  -1.461  -1.461
  270   1HB   GLU  38          1HB       GLU  38  -5.185  -3.442  -3.442
  271   2HB   GLU  38          2HB       GLU  38  -3.553  -3.307  -3.307
  272   1HG   GLU  38          1HG       GLU  38  -4.207  -5.055  -5.055
  273   2HG   GLU  38          2HG       GLU  38  -4.910  -3.831  -3.831
  274    H    CYS  39           H        CYS  39  -6.970  -0.988  -0.988
  275    HA   CYS  39           HA       CYS  39  -6.051  -0.186  -0.186
  276   1HB   CYS  39          1HB       CYS  39  -8.484  -0.094  -0.094
  277   2HB   CYS  39          2HB       CYS  39  -8.110   1.401   1.401
  278    H    LYS  40           H        LYS  40  -6.255   1.857   1.857
  279    HA   LYS  40           HA       LYS  40  -5.080   4.162   4.162
  280   1HB   LYS  40          1HB       LYS  40  -5.921   3.747   3.747
  281   2HB   LYS  40          2HB       LYS  40  -5.191   5.217   5.217
  282   1HG   LYS  40          1HG       LYS  40  -7.199   5.933   5.933
  283   2HG   LYS  40          2HG       LYS  40  -7.215   4.643   4.643
  284   1HD   LYS  40          1HD       LYS  40  -9.258   4.491   4.491
  285   2HD   LYS  40          2HD       LYS  40  -8.290   3.102   3.102
  286   1HE   LYS  40          1HE       LYS  40  -9.535   4.173   4.173
  287   2HE   LYS  40          2HE       LYS  40  -7.784   4.127   4.127
  288   1HZ   LYS  40          2HZ       LYS  40  -9.297   6.457   6.457
  289   2HZ   LYS  40          3HZ       LYS  40  -8.859   6.208   6.208
  290   3HZ   LYS  40          1HZ       LYS  40  -7.685   6.457   6.457
  291    H    LEU  41           H        LEU  41  -3.864   1.539   1.539
  292    HA   LEU  41           HA       LEU  41  -1.313   2.812   2.812
  293   1HB   LEU  41          1HB       LEU  41  -2.289   0.799   0.799
  294   2HB   LEU  41          2HB       LEU  41  -1.874  -0.173  -0.173
  295    HG   LEU  41           HG       LEU  41   0.155   1.472   1.472
  296   1HD1  LEU  41          1HD1      LEU  41  -0.621  -1.440  -1.440
  297   2HD1  LEU  41          2HD1      LEU  41   0.796  -0.686  -0.686
  298   3HD1  LEU  41          3HD1      LEU  41  -0.825  -0.160  -0.160
  299   1HD2  LEU  41          2HD2      LEU  41   0.377  -0.396  -0.396
  300   2HD2  LEU  41          3HD2      LEU  41   1.295   1.069   1.069
  301   3HD2  LEU  41          1HD2      LEU  41   1.652  -0.443  -0.443
  302    H    CYS  42           H        CYS  42  -2.622   0.677   0.677
  303    HA   CYS  42           HA       CYS  42  -0.175   0.559   0.559
  304   1HB   CYS  42          1HB       CYS  42  -3.009  -0.236  -0.236
  305   2HB   CYS  42          2HB       CYS  42  -1.719  -0.286  -0.286
  306    H    LEU  43           H        LEU  43  -3.070   2.601   2.601
  307    HA   LEU  43           HA       LEU  43  -2.131   4.264   4.264
  308   1HB   LEU  43          1HB       LEU  43  -3.736   4.754   4.754
  309   2HB   LEU  43          2HB       LEU  43  -3.413   6.071   6.071
  310    HG   LEU  43           HG       LEU  43  -4.733   3.502   3.502
  311   1HD1  LEU  43          2HD1      LEU  43  -6.036   6.005   6.005
  312   2HD1  LEU  43          3HD1      LEU  43  -6.885   4.830   4.830
  313   3HD1  LEU  43          1HD1      LEU  43  -6.246   4.318   4.318
  314   1HD2  LEU  43          3HD2      LEU  43  -4.670   6.380   6.380
  315   2HD2  LEU  43          1HD2      LEU  43  -3.790   5.006   5.006
  316   3HD2  LEU  43          2HD2      LEU  43  -5.562   5.046   5.046
  317    H    ALA  44           H        ALA  44  -1.471   4.476   4.476
  318    HA   ALA  44           HA       ALA  44   0.207   6.726   6.726
  319   1HB   ALA  44          1HB       ALA  44  -0.713   5.913   5.913
  320   2HB   ALA  44          1HB       ALA  44   0.378   4.509   4.509
  321   3HB   ALA  44          2HB       ALA  44   1.043   6.141   6.141
  322    H    ARG  45           H        ARG  45   1.046   3.271   3.271
  323    HA   ARG  45           HA       ARG  45   3.846   3.567   3.567
  324   1HB   ARG  45          1HB       ARG  45   1.996   1.607   1.607
  325   2HB   ARG  45          2HB       ARG  45   3.751   1.492   1.492
  326   1HG   ARG  45          1HG       ARG  45   3.849   1.176   1.176
  327   2HG   ARG  45          2HG       ARG  45   2.158   1.552   1.552
  328   1HD   ARG  45          1HD       ARG  45   2.250  -0.781  -0.781
  329   2HD   ARG  45          2HD       ARG  45   1.622  -0.456  -0.456
  330    HE   ARG  45           HE       ARG  45   4.506  -1.090  -1.090
  331   1HH1  ARG  45          2HH2      ARG  45   1.265  -2.291  -2.291
  332   2HH1  ARG  45          1HH2      ARG  45   1.976  -3.642  -3.642
  333   1HH2  ARG  45          2HH1      ARG  45   5.302  -2.946  -2.946
  334   2HH2  ARG  45          1HH1      ARG  45   4.134  -3.921  -3.921
  335    H    ILE  46           H        ILE  46   1.316   3.795   3.795
  336    HA   ILE  46           HA       ILE  46   3.175   4.365   4.365
  337    HB   ILE  46           HB       ILE  46   0.187   4.946   4.946
  338   1HG1  ILE  46          1HG1      ILE  46   1.645   2.656   2.656
  339   2HG1  ILE  46          2HG1      ILE  46   0.853   2.515   2.515
  340   1HG2  ILE  46          2HG2      ILE  46   1.269   6.356   6.356
  341   2HG2  ILE  46          3HG2      ILE  46   2.017   4.909   4.909
  342   3HG2  ILE  46          1HG2      ILE  46   0.255   5.132   5.132
  343   1HD1  ILE  46          2HD1      ILE  46  -1.317   3.176   3.176
  344   2HD1  ILE  46          3HD1      ILE  46  -0.539   3.087   3.087
  345   3HD1  ILE  46          1HD1      ILE  46  -0.645   1.644   1.644
  346    H    GLU  47           H        GLU  47   1.113   6.499   6.499
  347    HA   GLU  47           HA       GLU  47   1.763   8.959   8.959
  348   1HB   GLU  47          1HB       GLU  47   1.067   8.204   8.204
  349   2HB   GLU  47          2HB       GLU  47   1.129   9.864   9.864
  350   1HG   GLU  47          1HG       GLU  47  -0.627   9.473   9.473
  351   2HG   GLU  47          2HG       GLU  47  -0.649   7.742   7.742
  352    H    ASN  48           H        ASN  48   3.274   7.367   7.367
  353    HA   ASN  48           HA       ASN  48   5.368   9.318   9.318
  354   1HB   ASN  48          1HB       ASN  48   4.984   6.552   6.552
  355   2HB   ASN  48          2HB       ASN  48   6.359   7.600   7.600
  356   1HD2  ASN  48          2HD2      ASN  48   2.664   8.791   8.791
  357   2HD2  ASN  48          1HD2      ASN  48   2.778   7.548   7.548
  358    H    LYS  49           H        LYS  49   5.074   6.539   6.539
  359    HA   LYS  49           HA       LYS  49   6.503   5.544   5.544
  360   1HB   LYS  49          1HB       LYS  49   8.656   7.623   7.623
  361   2HB   LYS  49          2HB       LYS  49   8.493   6.596   6.596
  362   1HG   LYS  49          1HG       LYS  49   6.574   8.839   8.839
  363   2HG   LYS  49          2HG       LYS  49   7.929   9.009   9.009
  364   1HD   LYS  49          1HD       LYS  49   7.040   7.459   7.459
  365   2HD   LYS  49          2HD       LYS  49   5.798   6.889   6.889
  366   1HE   LYS  49          1HE       LYS  49   5.908   9.750   9.750
  367   2HE   LYS  49          2HE       LYS  49   4.973   8.427   8.427
  368   1HZ   LYS  49          1HZ       LYS  49   3.810   8.160   8.160
  369   2HZ   LYS  49          2HZ       LYS  49   4.574   9.385   9.385
  370   3HZ   LYS  49          3HZ       LYS  49   3.582   9.689   9.689
  371    H    GLN  50           H        GLN  50   6.175   4.637   4.637
  372    HA   GLN  50           HA       GLN  50   8.881   3.585   3.585
  373   1HB   GLN  50          1HB       GLN  50   6.714   4.694   4.694
  374   2HB   GLN  50          2HB       GLN  50   8.000   3.596   3.596
  375   1HG   GLN  50          1HG       GLN  50   9.690   5.273   5.273
  376   2HG   GLN  50          2HG       GLN  50   8.350   6.418   6.418
  377   1HE2  GLN  50          2HE2      GLN  50  10.121   6.057   6.057
  378   2HE2  GLN  50          1HE2      GLN  50  10.835   5.663   5.663
  379    H    ASP  51           H        ASP  51   8.927   1.450   1.450
  380    HA   ASP  51           HA       ASP  51   6.462  -0.187  -0.187
  381   1HB   ASP  51          1HB       ASP  51   8.325  -1.054  -1.054
  382   2HB   ASP  51          2HB       ASP  51   9.411  -0.864  -0.864
  383    H    ILE  52           H        ILE  52   5.663   1.083   1.083
  384    HA   ILE  52           HA       ILE  52   6.749   0.644   0.644
  385    HB   ILE  52           HB       ILE  52   3.854   1.258   1.258
  386   1HG1  ILE  52          1HG1      ILE  52   6.041   3.295   3.295
  387   2HG1  ILE  52          2HG1      ILE  52   5.485   2.943   2.943
  388   1HG2  ILE  52          1HG2      ILE  52   4.237   0.510   0.510
  389   2HG2  ILE  52          2HG2      ILE  52   5.489   1.750   1.750
  390   3HG2  ILE  52          3HG2      ILE  52   3.789   2.205   2.205
  391   1HD1  ILE  52          1HD1      ILE  52   3.182   3.604   3.604
  392   2HD1  ILE  52          2HD1      ILE  52   3.750   4.117   4.117
  393   3HD1  ILE  52          3HD1      ILE  52   4.370   4.913   4.913
  394    H    GLN  53           H        GLN  53   6.327  -1.125  -1.125
  395    HA   GLN  53           HA       GLN  53   4.740  -3.378  -3.378
  396   1HB   GLN  53          1HB       GLN  53   7.470  -3.375  -3.375
  397   2HB   GLN  53          2HB       GLN  53   6.746  -3.972  -3.972
  398   1HG   GLN  53          1HG       GLN  53   5.586  -5.706  -5.706
  399   2HG   GLN  53          2HG       GLN  53   6.082  -5.044  -5.044
  400   1HE2  GLN  53          2HE2      GLN  53   9.530  -6.302  -6.302
  401   2HE2  GLN  53          1HE2      GLN  53   8.820  -4.724  -4.724
  402    H    ILE  54           H        ILE  54   3.700  -4.696  -4.696
  403    HA   ILE  54           HA       ILE  54   2.564  -2.845  -2.845
  404    HB   ILE  54           HB       ILE  54   1.707  -5.530  -5.530
  405   1HG1  ILE  54          1HG1      ILE  54   0.208  -2.913  -2.913
  406   2HG1  ILE  54          2HG1      ILE  54   1.242  -3.203  -3.203
  407   1HG2  ILE  54          1HG2      ILE  54   0.629  -4.122  -4.122
  408   2HG2  ILE  54          2HG2      ILE  54  -0.180  -5.454  -5.454
  409   3HG2  ILE  54          3HG2      ILE  54   1.364  -5.744  -5.744
  410   1HD1  ILE  54          1HD1      ILE  54  -1.099  -4.981  -4.981
  411   2HD1  ILE  54          2HD1      ILE  54  -1.094  -3.734  -3.734
  412   3HD1  ILE  54          3HD1      ILE  54  -0.036  -5.153  -5.153
  413    H    VAL  55           H        VAL  55   3.225  -2.801  -2.801
  414    HA   VAL  55           HA       VAL  55   5.363  -4.481  -4.481
  415    HB   VAL  55           HB       VAL  55   3.483  -2.413  -2.413
  416   1HG1  VAL  55          1HG1      VAL  55   4.483  -3.924  -3.924
  417   2HG1  VAL  55          2HG1      VAL  55   6.094  -3.535  -3.535
  418   3HG1  VAL  55          3HG1      VAL  55   5.103  -2.272  -2.272
  419   1HG2  VAL  55          1HG2      VAL  55   4.980  -1.506  -1.506
  420   2HG2  VAL  55          2HG2      VAL  55   5.350  -0.865  -0.865
  421   3HG2  VAL  55          3HG2      VAL  55   6.381  -2.127  -2.127
  422    H    LYS  56           H        LYS  56   1.822  -4.016  -4.016
  423    HA   LYS  56           HA       LYS  56   1.457  -6.722  -6.722
  424   1HB   LYS  56          1HB       LYS  56   0.549  -5.927  -5.927
  425   2HB   LYS  56          2HB       LYS  56   2.295  -5.703  -5.703
  426   1HG   LYS  56          1HG       LYS  56   1.768  -3.276  -3.276
  427   2HG   LYS  56          2HG       LYS  56   0.111  -3.557  -3.557
  428   1HD   LYS  56          1HD       LYS  56   2.651  -3.955  -3.955
  429   2HD   LYS  56          2HD       LYS  56   1.766  -2.441  -2.441
  430   1HE   LYS  56          1HE       LYS  56   0.373  -5.056  -5.056
  431   2HE   LYS  56          2HE       LYS  56   1.347  -4.147  -4.147
  432   1HZ   LYS  56          2HZ       LYS  56  -1.002  -2.974  -2.974
  433   2HZ   LYS  56          3HZ       LYS  56  -0.966  -3.695  -3.695
  434   3HZ   LYS  56          1HZ       LYS  56  -0.116  -2.341  -2.341
  435    H    ASP  57           H        ASP  57  -0.685  -7.299  -7.299
  436    HA   ASP  57           HA       ASP  57  -2.622  -5.956  -5.956
  437   1HB   ASP  57          1HB       ASP  57  -2.970  -8.027  -8.027
  438   2HB   ASP  57          2HB       ASP  57  -4.248  -7.486  -7.486
  439    H    GLY  58           H        GLY  58  -4.427  -4.706  -4.706
  440   1HA   GLY  58          1HA       GLY  58  -5.811  -3.499  -3.499
  441   2HA   GLY  58          2HA       GLY  58  -5.050  -4.224  -4.224
  442    H    GLU  59           H        GLU  59  -5.490  -1.837  -1.837
  443    HA   GLU  59           HA       GLU  59  -3.670   0.143   0.143
  444   1HB   GLU  59          1HB       GLU  59  -5.024  -0.173  -0.173
  445   2HB   GLU  59          2HB       GLU  59  -4.405   1.321   1.321
  446   1HG   GLU  59          1HG       GLU  59  -6.527   1.604   1.604
  447   2HG   GLU  59          2HG       GLU  59  -6.122   0.419   0.419
  448    H    CYS  60           H        CYS  60  -1.891   1.094   1.094
  449    HA   CYS  60           HA       CYS  60   0.031  -0.951  -0.951
  450   1HB   CYS  60          1HB       CYS  60   0.199   1.920   1.920
  451   2HB   CYS  60          2HB       CYS  60   1.171   1.459   1.459

  Start of MODEL   11
    1   1H    GLU   1          1HN       GLU   1   7.861 -17.391 -17.391
    2   2H    GLU   1          2HN       GLU   1   6.335 -16.755 -16.755
    3   3H    GLU   1          3HN       GLU   1   7.075 -16.954 -16.954
    4    HA   GLU   1           HA       GLU   1   8.727 -15.427 -15.427
    5   1HB   GLU   1          1HB       GLU   1   6.176 -14.710 -14.710
    6   2HB   GLU   1          2HB       GLU   1   6.315 -13.851 -13.851
    7   1HG   GLU   1          1HG       GLU   1   6.952 -12.416 -12.416
    8   2HG   GLU   1          2HG       GLU   1   8.419 -12.741 -12.741
    9    H    LYS   2           H        LYS   2   8.189 -13.206 -13.206
   10    HA   LYS   2           HA       LYS   2   9.469 -14.675 -14.675
   11   1HB   LYS   2          1HB       LYS   2  10.921 -13.826 -13.826
   12   2HB   LYS   2          2HB       LYS   2  10.426 -12.181 -12.181
   13   1HG   LYS   2          1HG       LYS   2  11.433 -12.385 -12.385
   14   2HG   LYS   2          2HG       LYS   2  11.670 -14.120 -14.120
   15   1HD   LYS   2          1HD       LYS   2  13.747 -13.579 -13.579
   16   2HD   LYS   2          2HD       LYS   2  13.047 -13.215 -13.215
   17   1HE   LYS   2          1HE       LYS   2  13.633 -11.249 -11.249
   18   2HE   LYS   2          2HE       LYS   2  14.558 -11.462 -11.462
   19   1HZ   LYS   2          3HZ       LYS   2  12.712 -10.616 -10.616
   20   2HZ   LYS   2          1HZ       LYS   2  11.796 -10.385 -10.385
   21   3HZ   LYS   2          2HZ       LYS   2  13.201  -9.555  -9.555
   22    H    GLN   3           H        GLN   3   7.757 -14.388 -14.388
   23    HA   GLN   3           HA       GLN   3   6.491 -11.857 -11.857
   24   1HB   GLN   3          1HB       GLN   3   6.712 -14.462 -14.462
   25   2HB   GLN   3          2HB       GLN   3   6.266 -13.012 -13.012
   26   1HG   GLN   3          1HG       GLN   3   4.288 -14.144 -14.144
   27   2HG   GLN   3          2HG       GLN   3   4.398 -12.528 -12.528
   28   1HE2  GLN   3          2HE2      GLN   3   3.376 -14.112 -14.112
   29   2HE2  GLN   3          1HE2      GLN   3   3.017 -12.946 -12.946
   30    H    VAL   4           H        VAL   4   9.152 -13.397 -13.397
   31    HA   VAL   4           HA       VAL   4  10.319 -12.498 -12.498
   32    HB   VAL   4           HB       VAL   4  10.837 -10.769 -10.769
   33   1HG1  VAL   4          2HG1      VAL   4  12.478 -10.971 -10.971
   34   2HG1  VAL   4          3HG1      VAL   4  13.203 -10.460 -10.460
   35   3HG1  VAL   4          1HG1      VAL   4  11.951  -9.480  -9.480
   36   1HG2  VAL   4          1HG2      VAL   4  11.261 -13.158 -13.158
   37   2HG2  VAL   4          2HG2      VAL   4  12.748 -12.211 -12.211
   38   3HG2  VAL   4          3HG2      VAL   4  12.357 -13.137 -13.137
   39    H    PHE   5           H        PHE   5   7.912 -11.940 -11.940
   40    HA   PHE   5           HA       PHE   5   6.661 -10.698 -10.698
   41   1HB   PHE   5          1HB       PHE   5   9.205  -9.943  -9.943
   42   2HB   PHE   5          2HB       PHE   5   8.483  -8.382  -8.382
   43    HD1  PHE   5          1HD       PHE   5   6.255  -7.803  -7.803
   44    HD2  PHE   5          1HD       PHE   5   8.724 -11.176 -11.176
   45    HE1  PHE   5          1HE       PHE   5   5.142  -7.929  -7.929
   46    HE2  PHE   5          2HE       PHE   5   7.559 -11.346 -11.346
   47    HZ   PHE   5           HZ       PHE   5   5.781  -9.701  -9.701
   48    H    SER   6           H        SER   6   7.922  -9.136  -9.136
   49    HA   SER   6           HA       SER   6   5.835  -7.039  -7.039
   50   1HB   SER   6          1HB       SER   6   7.279  -6.588  -6.588
   51   2HB   SER   6          2HB       SER   6   7.813  -6.048  -6.048
   52    HG   SER   6           HG       SER   6   9.145  -7.922  -7.922
   53    H    ARG   7           H        ARG   7   5.191  -6.874  -6.874
   54    HA   ARG   7           HA       ARG   7   4.163  -9.499  -9.499
   55   1HB   ARG   7          1HB       ARG   7   2.511  -7.036  -7.036
   56   2HB   ARG   7          2HB       ARG   7   1.938  -8.359  -8.359
   57   1HG   ARG   7          1HG       ARG   7   2.114  -9.956  -9.956
   58   2HG   ARG   7          2HG       ARG   7   2.962  -8.885  -8.885
   59   1HD   ARG   7          1HD       ARG   7   0.536  -9.217  -9.217
   60   2HD   ARG   7          2HD       ARG   7   1.133  -7.550  -7.550
   61    HE   ARG   7           HE       ARG   7  -0.012  -8.103  -8.103
   62   1HH1  ARG   7          2HH2      ARG   7  -0.909  -7.755  -7.755
   63   2HH1  ARG   7          1HH2      ARG   7  -2.592  -7.516  -7.516
   64   1HH2  ARG   7          2HH1      ARG   7  -2.207  -7.275  -7.275
   65   2HH2  ARG   7          1HH1      ARG   7  -3.327  -7.275  -7.275
   66    H    MET   8           H        MET   8   3.855  -9.427  -9.427
   67    HA   MET   8           HA       MET   8   4.648  -7.004  -7.004
   68   1HB   MET   8          1HB       MET   8   4.067  -9.901  -9.901
   69   2HB   MET   8          2HB       MET   8   4.656  -8.630  -8.630
   70   1HG   MET   8          1HG       MET   8   6.730  -9.002  -9.002
   71   2HG   MET   8          2HG       MET   8   6.420  -8.722  -8.722
   72   1HE   MET   8          2HE       MET   8   5.863 -10.660 -10.660
   73   2HE   MET   8          3HE       MET   8   4.493 -11.286 -11.286
   74   3HE   MET   8          1HE       MET   8   5.780 -12.380 -12.380
   75    HA   PRO   9           HA       PRO   9   0.069  -6.739  -6.739
   76   1HB   PRO   9          1HB       PRO   9  -0.212  -4.040  -4.040
   77   2HB   PRO   9          2HB       PRO   9   0.084  -4.773  -4.773
   78   1HG   PRO   9          1HG       PRO   9   2.114  -3.545  -3.545
   79   2HG   PRO   9          2HG       PRO   9   1.978  -3.323  -3.323
   80   1HD   PRO   9          1HD       PRO   9   3.765  -5.039  -5.039
   81   2HD   PRO   9          2HD       PRO   9   2.849  -5.457  -5.457
   82    H    ILE  10           H        ILE  10  -1.178  -7.118  -7.118
   83    HA   ILE  10           HA       ILE  10  -0.216  -6.866  -6.866
   84    HB   ILE  10           HB       ILE  10  -2.866  -7.773  -7.773
   85   1HG1  ILE  10          1HG1      ILE  10  -0.417  -9.296  -9.296
   86   2HG1  ILE  10          2HG1      ILE  10  -1.006  -9.233  -9.233
   87   1HG2  ILE  10          3HG2      ILE  10  -3.062  -6.926  -6.926
   88   2HG2  ILE  10          1HG2      ILE  10  -1.814  -8.093  -8.093
   89   3HG2  ILE  10          2HG2      ILE  10  -3.389  -8.644  -8.644
   90   1HD1  ILE  10          3HD1      ILE  10  -3.077 -10.393 -10.393
   91   2HD1  ILE  10          1HD1      ILE  10  -2.440 -10.551 -10.551
   92   3HD1  ILE  10          2HD1      ILE  10  -1.601 -11.336 -11.336
   93    H    CYS  11           H        CYS  11  -0.785  -5.138  -5.138
   94    HA   CYS  11           HA       CYS  11  -2.707  -3.112  -3.112
   95   1HB   CYS  11          1HB       CYS  11   0.302  -2.804  -2.804
   96   2HB   CYS  11          2HB       CYS  11  -0.833  -1.480  -1.480
   97    H    GLU  12           H        GLU  12  -3.756  -2.260  -2.260
   98    HA   GLU  12           HA       GLU  12  -3.345  -3.704  -3.704
   99   1HB   GLU  12          1HB       GLU  12  -4.899  -2.129  -2.129
  100   2HB   GLU  12          2HB       GLU  12  -5.532  -2.858  -2.858
  101   1HG   GLU  12          1HG       GLU  12  -5.826  -0.850  -0.850
  102   2HG   GLU  12          2HG       GLU  12  -4.236  -0.263  -0.263
  103    H    HIS  13           H        HIS  13  -2.702  -2.886  -2.886
  104    HA   HIS  13           HA       HIS  13  -1.198  -0.318  -0.318
  105   1HB   HIS  13          1HB       HIS  13  -0.451  -2.830  -2.830
  106   2HB   HIS  13          2HB       HIS  13   0.131  -1.199  -1.199
  107    HD1  HIS  13           HD1      HIS  13   2.030  -0.258  -0.258
  108    HD2  HIS  13           HD2      HIS  13   0.228  -3.710  -3.710
  109    HE1  HIS  13           HE1      HIS  13   3.409  -0.907  -0.907
  110    HE2  HIS  13           HE2      HIS  13   2.283  -2.982  -2.982
  111    H    MET  14           H        MET  14  -1.626  -1.629  -1.629
  112    HA   MET  14           HA       MET  14  -4.235  -0.163  -0.163
  113   1HB   MET  14          1HB       MET  14  -2.016  -0.302  -0.302
  114   2HB   MET  14          2HB       MET  14  -3.471   0.695   0.695
  115   1HG   MET  14          1HG       MET  14  -2.599   1.890   1.890
  116   2HG   MET  14          2HG       MET  14  -1.118   0.936   0.936
  117   1HE   MET  14          3HE       MET  14  -3.198   3.828   3.828
  118   2HE   MET  14          1HE       MET  14  -2.244   4.192   4.192
  119   3HE   MET  14          2HE       MET  14  -3.183   2.690   2.690
  120    H    THR  15           H        THR  15  -3.801  -3.106  -3.106
  121    HA   THR  15           HA       THR  15  -5.506  -3.859  -3.859
  122    HB   THR  15           HB       THR  15  -3.354  -4.345  -4.345
  123    HG1  THR  15           HG1      THR  15  -4.752  -6.719  -6.719
  124   1HG2  THR  15          2HG2      THR  15  -1.960  -4.831  -4.831
  125   2HG2  THR  15          3HG2      THR  15  -2.849  -6.348  -6.348
  126   3HG2  THR  15          1HG2      THR  15  -1.903  -6.138  -6.138
  127    H    GLU  16           H        GLU  16  -3.789  -5.217  -5.217
  128    HA   GLU  16           HA       GLU  16  -6.263  -6.751  -6.751
  129   1HB   GLU  16          1HB       GLU  16  -3.842  -7.631  -7.631
  130   2HB   GLU  16          2HB       GLU  16  -3.876  -6.699  -6.699
  131   1HG   GLU  16          1HG       GLU  16  -4.548  -9.028  -9.028
  132   2HG   GLU  16          2HG       GLU  16  -5.926  -7.953  -7.953
  133    H    SER  17           H        SER  17  -7.267  -4.649  -4.649
  134    HA   SER  17           HA       SER  17  -6.977  -2.872  -2.872
  135   1HB   SER  17          1HB       SER  17  -7.422  -2.181  -2.181
  136   2HB   SER  17          2HB       SER  17  -7.200  -1.065  -1.065
  137    HG   SER  17           HG       SER  17  -5.112  -1.368  -1.368
  138    HA   PRO  18           HA       PRO  18 -11.436  -3.947  -3.947
  139   1HB   PRO  18          1HB       PRO  18 -11.960  -4.969  -4.969
  140   2HB   PRO  18          2HB       PRO  18 -10.917  -5.822  -5.822
  141   1HG   PRO  18          1HG       PRO  18  -9.956  -3.996  -3.996
  142   2HG   PRO  18          2HG       PRO  18  -9.493  -5.696  -5.696
  143   1HD   PRO  18          1HD       PRO  18  -8.049  -3.570  -3.570
  144   2HD   PRO  18          2HD       PRO  18  -8.171  -5.131  -5.131
  145    H    ASP  19           H        ASP  19 -12.279  -3.229  -3.229
  146    HA   ASP  19           HA       ASP  19 -12.055  -0.259  -0.259
  147   1HB   ASP  19          1HB       ASP  19 -14.354  -1.999  -1.999
  148   2HB   ASP  19          2HB       ASP  19 -14.226  -0.245  -0.245
  149    H    CYS  20           H        CYS  20 -11.352   0.541   0.541
  150    HA   CYS  20           HA       CYS  20  -9.983  -1.304  -1.304
  151   1HB   CYS  20          1HB       CYS  20 -10.872   1.554   1.554
  152   2HB   CYS  20          2HB       CYS  20 -10.428   0.608   0.608
  153    H    SER  21           H        SER  21 -10.567  -2.542  -2.542
  154    HA   SER  21           HA       SER  21 -13.380  -3.012  -3.012
  155   1HB   SER  21          1HB       SER  21 -10.840  -3.811  -3.811
  156   2HB   SER  21          2HB       SER  21 -12.462  -4.423  -4.423
  157    HG   SER  21           HG       SER  21 -11.269  -4.629  -4.629
  158    H    ARG  22           H        ARG  22 -14.668  -1.674  -1.674
  159    HA   ARG  22           HA       ARG  22 -13.547   0.374   0.374
  160   1HB   ARG  22          1HB       ARG  22 -16.351  -0.699  -0.699
  161   2HB   ARG  22          2HB       ARG  22 -15.986   0.830   0.830
  162   1HG   ARG  22          1HG       ARG  22 -15.206   1.858   1.858
  163   2HG   ARG  22          2HG       ARG  22 -15.344   0.348   0.348
  164   1HD   ARG  22          1HD       ARG  22 -17.587   2.039   2.039
  165   2HD   ARG  22          2HD       ARG  22 -17.250   1.684   1.684
  166    HE   ARG  22           HE       ARG  22 -17.784  -0.681  -0.681
  167   1HH1  ARG  22          2HH2      ARG  22 -18.698   1.403   1.403
  168   2HH1  ARG  22          1HH2      ARG  22 -20.079   0.397   0.397
  169   1HH2  ARG  22          2HH1      ARG  22 -19.528  -2.056  -2.056
  170   2HH2  ARG  22          1HH1      ARG  22 -20.107  -1.748  -1.748
  171    H    ILE  23           H        ILE  23 -13.083  -2.571  -2.571
  172    HA   ILE  23           HA       ILE  23 -14.762  -3.262  -3.262
  173    HB   ILE  23           HB       ILE  23 -12.041  -4.155  -4.155
  174   1HG1  ILE  23          1HG1      ILE  23 -14.220  -4.629  -4.629
  175   2HG1  ILE  23          2HG1      ILE  23 -13.092  -5.936  -5.936
  176   1HG2  ILE  23          3HG2      ILE  23 -13.607  -5.288  -5.288
  177   2HG2  ILE  23          1HG2      ILE  23 -12.281  -6.136  -6.136
  178   3HG2  ILE  23          2HG2      ILE  23 -11.963  -4.624  -4.624
  179   1HD1  ILE  23          2HD1      ILE  23 -15.630  -5.414  -5.414
  180   2HD1  ILE  23          3HD1      ILE  23 -15.457  -6.615  -6.615
  181   3HD1  ILE  23          1HD1      ILE  23 -14.534  -6.799  -6.799
  182    H    TYR  24           H        TYR  24 -14.703  -2.387  -2.387
  183    HA   TYR  24           HA       TYR  24 -12.455  -0.732  -0.732
  184   1HB   TYR  24          1HB       TYR  24 -14.850  -0.457  -0.457
  185   2HB   TYR  24          2HB       TYR  24 -14.786  -1.964  -1.964
  186    HD1  TYR  24           HD2      TYR  24 -12.729  -2.021  -2.021
  187    HD2  TYR  24           HD1      TYR  24 -14.811   1.458   1.458
  188    HE1  TYR  24           HE2      TYR  24 -12.133  -0.779  -0.779
  189    HE2  TYR  24           HE1      TYR  24 -14.411   2.593   2.593
  190    HH   TYR  24           HH       TYR  24 -12.473   1.135   1.135
  191    H    ASP  25           H        ASP  25 -10.570  -2.048  -2.048
  192    HA   ASP  25           HA       ASP  25 -10.377  -3.921  -3.921
  193   1HB   ASP  25          1HB       ASP  25 -11.052  -5.522  -5.522
  194   2HB   ASP  25          2HB       ASP  25  -9.754  -4.951  -4.951
  195    HA   PRO  26           HA       PRO  26  -7.093  -0.956  -0.956
  196   1HB   PRO  26          1HB       PRO  26  -6.203  -0.471  -0.471
  197   2HB   PRO  26          2HB       PRO  26  -7.467   0.434   0.434
  198   1HG   PRO  26          1HG       PRO  26  -7.806  -1.847  -1.847
  199   2HG   PRO  26          2HG       PRO  26  -8.782  -0.366  -0.366
  200   1HD   PRO  26          1HD       PRO  26  -9.611  -2.734  -2.734
  201   2HD   PRO  26          2HD       PRO  26  -9.931  -1.222  -1.222
  202    H    VAL  27           H        VAL  27  -4.798  -0.814  -0.814
  203    HA   VAL  27           HA       VAL  27  -3.271  -2.977  -2.977
  204    HB   VAL  27           HB       VAL  27  -1.998  -3.357  -3.357
  205   1HG1  VAL  27          3HG1      VAL  27  -3.920  -4.878  -4.878
  206   2HG1  VAL  27          1HG1      VAL  27  -4.948  -3.886  -3.886
  207   3HG1  VAL  27          2HG1      VAL  27  -3.575  -4.769  -4.769
  208   1HG2  VAL  27          1HG2      VAL  27  -2.456  -1.228  -1.228
  209   2HG2  VAL  27          2HG2      VAL  27  -2.885  -2.622  -2.622
  210   3HG2  VAL  27          3HG2      VAL  27  -4.158  -1.694  -1.694
  211    H    CYS  28           H        CYS  28  -0.905  -2.265  -2.265
  212    HA   CYS  28           HA       CYS  28  -0.625   0.701   0.701
  213   1HB   CYS  28          1HB       CYS  28  -0.506  -0.265  -0.265
  214   2HB   CYS  28          2HB       CYS  28   1.060  -0.919  -0.919
  215    H    GLY  29           H        GLY  29   1.001   1.467   1.467
  216   1HA   GLY  29          1HA       GLY  29   2.472  -0.508  -0.508
  217   2HA   GLY  29          2HA       GLY  29   2.408   1.225   1.225
  218    H    THR  30           H        THR  30   4.867  -0.157  -0.157
  219    HA   THR  30           HA       THR  30   6.480   0.363   0.363
  220    HB   THR  30           HB       THR  30   8.356  -0.140  -0.140
  221    HG1  THR  30           HG1      THR  30   7.726   0.567   0.567
  222   1HG2  THR  30          2HG2      THR  30   6.047  -2.128  -2.128
  223   2HG2  THR  30          3HG2      THR  30   7.740  -2.454  -2.454
  224   3HG2  THR  30          1HG2      THR  30   7.323  -2.037  -2.037
  225    H    ASP  31           H        ASP  31   4.796   2.582   2.582
  226    HA   ASP  31           HA       ASP  31   6.832   4.722   4.722
  227   1HB   ASP  31          1HB       ASP  31   4.898   5.996   5.996
  228   2HB   ASP  31          2HB       ASP  31   5.527   4.737   4.737
  229    H    GLY  32           H        GLY  32   4.591   2.909   2.909
  230   1HA   GLY  32          1HA       GLY  32   4.002   3.219   3.219
  231   2HA   GLY  32          2HA       GLY  32   4.589   4.891   4.891
  232    H    VAL  33           H        VAL  33   2.636   4.382   4.382
  233    HA   VAL  33           HA       VAL  33   0.545   6.003   6.003
  234    HB   VAL  33           HB       VAL  33   1.035   5.305   5.305
  235   1HG1  VAL  33          3HG1      VAL  33  -0.964   7.213   7.213
  236   2HG1  VAL  33          1HG1      VAL  33  -0.601   7.176   7.176
  237   3HG1  VAL  33          2HG1      VAL  33  -1.341   5.775   5.775
  238   1HG2  VAL  33          2HG2      VAL  33   1.612   7.816   7.816
  239   2HG2  VAL  33          3HG2      VAL  33   2.795   6.750   6.750
  240   3HG2  VAL  33          1HG2      VAL  33   1.681   7.709   7.709
  241    H    THR  34           H        THR  34  -1.508   5.291   5.291
  242    HA   THR  34           HA       THR  34  -2.080   2.388   2.388
  243    HB   THR  34           HB       THR  34  -3.463   4.699   4.699
  244    HG1  THR  34           HG1      THR  34  -1.471   3.194   3.194
  245   1HG2  THR  34          3HG2      THR  34  -4.385   1.818   1.818
  246   2HG2  THR  34          1HG2      THR  34  -4.975   2.965   2.965
  247   3HG2  THR  34          2HG2      THR  34  -5.239   3.294   3.294
  248    H    TYR  35           H        TYR  35  -3.542   1.652   1.652
  249    HA   TYR  35           HA       TYR  35  -5.017   3.605   3.605
  250   1HB   TYR  35          1HB       TYR  35  -3.440   1.174   1.174
  251   2HB   TYR  35          2HB       TYR  35  -4.469   2.183   2.183
  252    HD1  TYR  35           HD2      TYR  35  -3.846   4.746   4.746
  253    HD2  TYR  35           HD1      TYR  35  -1.185   1.881   1.881
  254    HE1  TYR  35           HE2      TYR  35  -1.924   6.154   6.154
  255    HE2  TYR  35           HE1      TYR  35   0.755   3.261   3.261
  256    HH   TYR  35           HH       TYR  35   1.435   5.165   5.165
  257    H    GLU  36           H        GLU  36  -7.095   3.061   3.061
  258    HA   GLU  36           HA       GLU  36  -8.026   0.989   0.989
  259   1HB   GLU  36          1HB       GLU  36  -9.513   2.916   2.916
  260   2HB   GLU  36          2HB       GLU  36 -10.249   1.816   1.816
  261   1HG   GLU  36          1HG       GLU  36  -9.974   4.001   4.001
  262   2HG   GLU  36          2HG       GLU  36  -8.941   2.799   2.799
  263    H    SER  37           H        SER  37  -7.238   0.889   0.889
  264    HA   SER  37           HA       SER  37  -7.650  -1.895  -1.895
  265   1HB   SER  37          1HB       SER  37  -9.000  -2.323  -2.323
  266   2HB   SER  37          2HB       SER  37  -9.885  -1.217  -1.217
  267    HG   SER  37           HG       SER  37  -9.193  -0.925  -0.925
  268    H    GLU  38           H        GLU  38  -6.524  -2.921  -2.921
  269    HA   GLU  38           HA       GLU  38  -3.998  -1.729  -1.729
  270   1HB   GLU  38          1HB       GLU  38  -5.364  -3.934  -3.934
  271   2HB   GLU  38          2HB       GLU  38  -3.667  -3.476  -3.476
  272   1HG   GLU  38          1HG       GLU  38  -3.218  -3.952  -3.952
  273   2HG   GLU  38          2HG       GLU  38  -4.896  -4.417  -4.417
  274    H    CYS  39           H        CYS  39  -6.956  -1.207  -1.207
  275    HA   CYS  39           HA       CYS  39  -6.164  -0.140  -0.140
  276   1HB   CYS  39          1HB       CYS  39  -8.519  -0.125  -0.125
  277   2HB   CYS  39          2HB       CYS  39  -8.092   1.071   1.071
  278    H    LYS  40           H        LYS  40  -6.218   1.589   1.589
  279    HA   LYS  40           HA       LYS  40  -5.267   4.116   4.116
  280   1HB   LYS  40          1HB       LYS  40  -5.985   3.220   3.220
  281   2HB   LYS  40          2HB       LYS  40  -5.212   4.792   4.792
  282   1HG   LYS  40          1HG       LYS  40  -7.383   4.120   4.120
  283   2HG   LYS  40          2HG       LYS  40  -7.892   4.262   4.262
  284   1HD   LYS  40          1HD       LYS  40  -7.064   6.470   6.470
  285   2HD   LYS  40          2HD       LYS  40  -6.063   6.365   6.365
  286   1HE   LYS  40          1HE       LYS  40  -7.820   6.696   6.696
  287   2HE   LYS  40          2HE       LYS  40  -8.998   5.926   5.926
  288   1HZ   LYS  40          3HZ       LYS  40  -7.886   8.613   8.613
  289   2HZ   LYS  40          1HZ       LYS  40  -9.398   8.204   8.204
  290   3HZ   LYS  40          2HZ       LYS  40  -8.982   7.790   7.790
  291    H    LEU  41           H        LEU  41  -3.855   1.427   1.427
  292    HA   LEU  41           HA       LEU  41  -1.245   2.551   2.551
  293   1HB   LEU  41          1HB       LEU  41  -2.177   0.585   0.585
  294   2HB   LEU  41          2HB       LEU  41  -2.206  -0.318  -0.318
  295    HG   LEU  41           HG       LEU  41   0.455   0.832   0.832
  296   1HD1  LEU  41          2HD1      LEU  41  -0.884  -1.406  -1.406
  297   2HD1  LEU  41          3HD1      LEU  41   0.859  -0.998  -0.998
  298   3HD1  LEU  41          1HD1      LEU  41  -0.355   0.144   0.144
  299   1HD2  LEU  41          1HD2      LEU  41  -0.628  -1.848  -1.848
  300   2HD2  LEU  41          2HD2      LEU  41   0.329  -0.659  -0.659
  301   3HD2  LEU  41          3HD2      LEU  41   1.041  -1.615  -1.615
  302    H    CYS  42           H        CYS  42  -2.735   0.646   0.646
  303    HA   CYS  42           HA       CYS  42  -0.481   0.436   0.436
  304   1HB   CYS  42          1HB       CYS  42  -3.462   0.261   0.261
  305   2HB   CYS  42          2HB       CYS  42  -2.241   0.073   0.073
  306    H    LEU  43           H        LEU  43  -3.248   2.703   2.703
  307    HA   LEU  43           HA       LEU  43  -2.398   4.539   4.539
  308   1HB   LEU  43          1HB       LEU  43  -3.826   4.699   4.699
  309   2HB   LEU  43          2HB       LEU  43  -3.522   6.187   6.187
  310    HG   LEU  43           HG       LEU  43  -4.885   3.858   3.858
  311   1HD1  LEU  43          1HD1      LEU  43  -6.080   5.968   5.968
  312   2HD1  LEU  43          2HD1      LEU  43  -7.014   5.142   5.142
  313   3HD1  LEU  43          3HD1      LEU  43  -6.305   4.206   4.206
  314   1HD2  LEU  43          1HD2      LEU  43  -4.036   5.784   5.784
  315   2HD2  LEU  43          2HD2      LEU  43  -5.816   5.698   5.698
  316   3HD2  LEU  43          3HD2      LEU  43  -4.987   6.887   6.887
  317    H    ALA  44           H        ALA  44  -1.549   4.637   4.637
  318    HA   ALA  44           HA       ALA  44   0.280   6.761   6.761
  319   1HB   ALA  44          2HB       ALA  44  -0.691   5.937   5.937
  320   2HB   ALA  44          1HB       ALA  44   0.340   4.489   4.489
  321   3HB   ALA  44          1HB       ALA  44   1.067   6.098   6.098
  322    H    ARG  45           H        ARG  45   0.815   3.300   3.300
  323    HA   ARG  45           HA       ARG  45   3.667   3.245   3.245
  324   1HB   ARG  45          1HB       ARG  45   1.491   1.517   1.517
  325   2HB   ARG  45          2HB       ARG  45   2.140   1.771   1.771
  326   1HG   ARG  45          1HG       ARG  45   3.847   0.397   0.397
  327   2HG   ARG  45          2HG       ARG  45   4.250   1.088   1.088
  328   1HD   ARG  45          1HD       ARG  45   1.711  -0.561  -0.561
  329   2HD   ARG  45          2HD       ARG  45   3.207  -1.398  -1.398
  330    HE   ARG  45           HE       ARG  45   3.755  -1.356  -1.356
  331   1HH1  ARG  45          2HH2      ARG  45   2.058   1.746   1.746
  332   2HH1  ARG  45          1HH2      ARG  45   2.032   2.047   2.047
  333   1HH2  ARG  45          2HH1      ARG  45   3.436  -1.113  -1.113
  334   2HH2  ARG  45          1HH1      ARG  45   2.691   0.307   0.307
  335    H    ILE  46           H        ILE  46   1.182   4.384   4.384
  336    HA   ILE  46           HA       ILE  46   3.140   4.830   4.830
  337    HB   ILE  46           HB       ILE  46   0.296   5.894   5.894
  338   1HG1  ILE  46          1HG1      ILE  46   1.359   3.282   3.282
  339   2HG1  ILE  46          2HG1      ILE  46   0.303   3.434   3.434
  340   1HG2  ILE  46          3HG2      ILE  46   1.823   6.980   6.980
  341   2HG2  ILE  46          1HG2      ILE  46   2.117   5.390   5.390
  342   3HG2  ILE  46          2HG2      ILE  46   0.493   6.095   6.095
  343   1HD1  ILE  46          3HD1      ILE  46  -1.458   4.445   4.445
  344   2HD1  ILE  46          1HD1      ILE  46  -0.477   4.146   4.146
  345   3HD1  ILE  46          2HD1      ILE  46  -0.994   2.788   2.788
  346    H    GLU  47           H        GLU  47   1.217   7.016   7.016
  347    HA   GLU  47           HA       GLU  47   2.681   9.251   9.251
  348   1HB   GLU  47          1HB       GLU  47   0.912   9.268   9.268
  349   2HB   GLU  47          2HB       GLU  47   1.405  10.643  10.643
  350   1HG   GLU  47          1HG       GLU  47  -0.436   8.337   8.337
  351   2HG   GLU  47          2HG       GLU  47  -0.849  10.044  10.044
  352    H    ASN  48           H        ASN  48   3.268   7.302   7.302
  353    HA   ASN  48           HA       ASN  48   5.477   8.961   8.961
  354   1HB   ASN  48          1HB       ASN  48   5.018   6.003   6.003
  355   2HB   ASN  48          2HB       ASN  48   6.062   7.092   7.092
  356   1HD2  ASN  48          2HD2      ASN  48   2.603   8.732   8.732
  357   2HD2  ASN  48          1HD2      ASN  48   3.739   9.174   9.174
  358    H    LYS  49           H        LYS  49   4.961   6.601   6.601
  359    HA   LYS  49           HA       LYS  49   6.247   5.646   5.646
  360   1HB   LYS  49          1HB       LYS  49   8.419   7.672   7.672
  361   2HB   LYS  49          2HB       LYS  49   8.116   6.806   6.806
  362   1HG   LYS  49          1HG       LYS  49   5.982   8.080   8.080
  363   2HG   LYS  49          2HG       LYS  49   6.406   9.036   9.036
  364   1HD   LYS  49          1HD       LYS  49   8.683   9.452   9.452
  365   2HD   LYS  49          2HD       LYS  49   7.916   8.826   8.826
  366   1HE   LYS  49          1HE       LYS  49   7.068  11.233  11.233
  367   2HE   LYS  49          2HE       LYS  49   7.892  11.326  11.326
  368   1HZ   LYS  49          3HZ       LYS  49   5.203  10.088  10.088
  369   2HZ   LYS  49          1HZ       LYS  49   5.430  11.681  11.681
  370   3HZ   LYS  49          2HZ       LYS  49   5.934  10.720  10.720
  371    H    GLN  50           H        GLN  50   6.335   4.369   4.369
  372    HA   GLN  50           HA       GLN  50   9.181   3.449   3.449
  373   1HB   GLN  50          1HB       GLN  50   7.606   4.754   4.754
  374   2HB   GLN  50          2HB       GLN  50   8.923   3.610   3.610
  375   1HG   GLN  50          1HG       GLN  50  10.579   4.976   4.976
  376   2HG   GLN  50          2HG       GLN  50   9.404   5.983   5.983
  377   1HE2  GLN  50          2HE2      GLN  50   9.510   6.664   6.664
  378   2HE2  GLN  50          1HE2      GLN  50   9.529   4.998   4.998
  379    H    ASP  51           H        ASP  51   9.525   1.431   1.431
  380    HA   ASP  51           HA       ASP  51   7.258  -0.389  -0.389
  381   1HB   ASP  51          1HB       ASP  51   9.444  -0.838  -0.838
  382   2HB   ASP  51          2HB       ASP  51  10.214  -0.897  -0.897
  383    H    ILE  52           H        ILE  52   6.532   0.945   0.945
  384    HA   ILE  52           HA       ILE  52   7.443   0.216   0.216
  385    HB   ILE  52           HB       ILE  52   4.951   1.444   1.444
  386   1HG1  ILE  52          1HG1      ILE  52   7.008   2.863   2.863
  387   2HG1  ILE  52          2HG1      ILE  52   7.149   2.685   2.685
  388   1HG2  ILE  52          2HG2      ILE  52   4.564   0.378   0.378
  389   2HG2  ILE  52          3HG2      ILE  52   5.437   1.792   1.792
  390   3HG2  ILE  52          1HG2      ILE  52   3.947   1.977   1.977
  391   1HD1  ILE  52          2HD1      ILE  52   4.809   4.029   4.029
  392   2HD1  ILE  52          3HD1      ILE  52   6.132   4.837   4.837
  393   3HD1  ILE  52          1HD1      ILE  52   4.993   3.817   3.817
  394    H    GLN  53           H        GLN  53   6.446  -1.424  -1.424
  395    HA   GLN  53           HA       GLN  53   4.578  -3.367  -3.367
  396   1HB   GLN  53          1HB       GLN  53   6.862  -3.908  -3.908
  397   2HB   GLN  53          2HB       GLN  53   5.619  -5.079  -5.079
  398   1HG   GLN  53          1HG       GLN  53   6.227  -4.671  -4.671
  399   2HG   GLN  53          2HG       GLN  53   7.517  -3.656  -3.656
  400   1HE2  GLN  53          2HE2      GLN  53   7.958  -7.703  -7.703
  401   2HE2  GLN  53          1HE2      GLN  53   6.482  -6.904  -6.904
  402    H    ILE  54           H        ILE  54   3.672  -4.758  -4.758
  403    HA   ILE  54           HA       ILE  54   2.350  -2.767  -2.767
  404    HB   ILE  54           HB       ILE  54   1.584  -5.538  -5.538
  405   1HG1  ILE  54          1HG1      ILE  54   0.031  -2.956  -2.956
  406   2HG1  ILE  54          2HG1      ILE  54   1.184  -3.360  -3.360
  407   1HG2  ILE  54          3HG2      ILE  54   0.342  -3.776  -3.776
  408   2HG2  ILE  54          1HG2      ILE  54  -0.446  -5.201  -5.201
  409   3HG2  ILE  54          2HG2      ILE  54   1.040  -5.392  -5.392
  410   1HD1  ILE  54          1HD1      ILE  54  -0.042  -5.486  -5.486
  411   2HD1  ILE  54          2HD1      ILE  54  -1.307  -4.916  -4.916
  412   3HD1  ILE  54          3HD1      ILE  54  -0.953  -4.016  -4.016
  413    H    VAL  55           H        VAL  55   3.026  -2.672  -2.672
  414    HA   VAL  55           HA       VAL  55   5.231  -4.286  -4.286
  415    HB   VAL  55           HB       VAL  55   3.358  -2.216  -2.216
  416   1HG1  VAL  55          3HG1      VAL  55   4.298  -3.706  -3.706
  417   2HG1  VAL  55          1HG1      VAL  55   5.924  -3.293  -3.293
  418   3HG1  VAL  55          2HG1      VAL  55   4.864  -2.038  -2.038
  419   1HG2  VAL  55          2HG2      VAL  55   4.961  -1.439  -1.439
  420   2HG2  VAL  55          3HG2      VAL  55   5.215  -0.678  -0.678
  421   3HG2  VAL  55          1HG2      VAL  55   6.298  -1.969  -1.969
  422    H    LYS  56           H        LYS  56   1.720  -3.919  -3.919
  423    HA   LYS  56           HA       LYS  56   1.353  -6.628  -6.628
  424   1HB   LYS  56          1HB       LYS  56   0.723  -6.107  -6.107
  425   2HB   LYS  56          2HB       LYS  56   2.427  -5.703  -5.703
  426   1HG   LYS  56          1HG       LYS  56   1.566  -3.262  -3.262
  427   2HG   LYS  56          2HG       LYS  56   0.043  -3.850  -3.850
  428   1HD   LYS  56          1HD       LYS  56   1.512  -4.663  -4.663
  429   2HD   LYS  56          2HD       LYS  56   2.799  -3.678  -3.678
  430   1HE   LYS  56          1HE       LYS  56   1.623  -2.497  -2.497
  431   2HE   LYS  56          2HE       LYS  56   1.409  -1.664  -1.664
  432   1HZ   LYS  56          3HZ       LYS  56  -0.600  -3.576  -3.576
  433   2HZ   LYS  56          1HZ       LYS  56  -0.565  -1.959  -1.959
  434   3HZ   LYS  56          2HZ       LYS  56  -0.855  -2.401  -2.401
  435    H    ASP  57           H        ASP  57  -0.973  -6.924  -6.924
  436    HA   ASP  57           HA       ASP  57  -2.668  -5.246  -5.246
  437   1HB   ASP  57          1HB       ASP  57  -3.348  -7.601  -7.601
  438   2HB   ASP  57          2HB       ASP  57  -4.495  -6.735  -6.735
  439    H    GLY  58           H        GLY  58  -4.675  -4.367  -4.367
  440   1HA   GLY  58          1HA       GLY  58  -5.897  -3.055  -3.055
  441   2HA   GLY  58          2HA       GLY  58  -4.976  -3.626  -3.626
  442    H    GLU  59           H        GLU  59  -5.424  -1.103  -1.103
  443    HA   GLU  59           HA       GLU  59  -3.760   0.724   0.724
  444   1HB   GLU  59          1HB       GLU  59  -4.644   1.078   1.078
  445   2HB   GLU  59          2HB       GLU  59  -4.219   2.304   2.304
  446   1HG   GLU  59          1HG       GLU  59  -6.289   1.393   1.393
  447   2HG   GLU  59          2HG       GLU  59  -6.757   0.652   0.652
  448    H    CYS  60           H        CYS  60  -1.931   1.908   1.908
  449    HA   CYS  60           HA       CYS  60   0.109  -0.015  -0.015
  450   1HB   CYS  60          1HB       CYS  60   0.077   2.900   2.900
  451   2HB   CYS  60          2HB       CYS  60   1.094   2.389   2.389

  Start of MODEL   12
    1   1H    GLU   1          2HN       GLU   1  13.839 -14.036 -14.036
    2   2H    GLU   1          3HN       GLU   1  13.365 -12.983 -12.983
    3   3H    GLU   1          1HN       GLU   1  14.448 -12.512 -12.512
    4    HA   GLU   1           HA       GLU   1  12.461 -11.601 -11.601
    5   1HB   GLU   1          1HB       GLU   1  10.382 -12.809 -12.809
    6   2HB   GLU   1          2HB       GLU   1  11.014 -12.813 -12.813
    7   1HG   GLU   1          1HG       GLU   1  10.773 -15.132 -15.132
    8   2HG   GLU   1          2HG       GLU   1  10.089 -14.955 -14.955
    9    H    LYS   2           H        LYS   2  14.758 -12.527 -12.527
   10    HA   LYS   2           HA       LYS   2  14.087 -14.837 -14.837
   11   1HB   LYS   2          1HB       LYS   2  16.318 -14.171 -14.171
   12   2HB   LYS   2          2HB       LYS   2  16.649 -13.277 -13.277
   13   1HG   LYS   2          1HG       LYS   2  17.591 -15.183 -15.183
   14   2HG   LYS   2          2HG       LYS   2  15.970 -15.725 -15.725
   15   1HD   LYS   2          1HD       LYS   2  17.524 -16.201 -16.201
   16   2HD   LYS   2          2HD       LYS   2  17.320 -17.396 -17.396
   17   1HE   LYS   2          1HE       LYS   2  14.939 -16.207 -16.207
   18   2HE   LYS   2          2HE       LYS   2  15.839 -17.598 -17.598
   19   1HZ   LYS   2          1HZ       LYS   2  15.257 -18.778 -18.778
   20   2HZ   LYS   2          2HZ       LYS   2  14.362 -17.505 -17.505
   21   3HZ   LYS   2          3HZ       LYS   2  13.954 -18.290 -18.290
   22    H    GLN   3           H        GLN   3  12.350 -12.870 -12.870
   23    HA   GLN   3           HA       GLN   3  13.063 -12.880 -12.880
   24   1HB   GLN   3          1HB       GLN   3  12.438 -10.534 -10.534
   25   2HB   GLN   3          2HB       GLN   3  13.995 -10.765 -10.765
   26   1HG   GLN   3          1HG       GLN   3  11.442  -9.947  -9.947
   27   2HG   GLN   3          2HG       GLN   3  12.673  -8.836  -8.836
   28   1HE2  GLN   3          2HE2      GLN   3  15.236 -10.154 -10.154
   29   2HE2  GLN   3          1HE2      GLN   3  15.037  -9.773  -9.773
   30    H    VAL   4           H        VAL   4  11.326 -13.688 -13.688
   31    HA   VAL   4           HA       VAL   4   8.725 -13.761 -13.761
   32    HB   VAL   4           HB       VAL   4   9.598 -14.806 -14.806
   33   1HG1  VAL   4          1HG1      VAL   4   7.070 -15.332 -15.332
   34   2HG1  VAL   4          2HG1      VAL   4   7.536 -16.209 -16.209
   35   3HG1  VAL   4          3HG1      VAL   4   7.137 -14.494 -14.494
   36   1HG2  VAL   4          1HG2      VAL   4  10.781 -15.950 -15.950
   37   2HG2  VAL   4          2HG2      VAL   4   9.608 -17.014 -17.014
   38   3HG2  VAL   4          3HG2      VAL   4   9.217 -16.268 -16.268
   39    H    PHE   5           H        PHE   5   8.623 -11.403 -11.403
   40    HA   PHE   5           HA       PHE   5   7.095 -10.350 -10.350
   41   1HB   PHE   5          1HB       PHE   5   9.443  -8.746  -8.746
   42   2HB   PHE   5          2HB       PHE   5   8.209  -8.163  -8.163
   43    HD1  PHE   5          1HD       PHE   5   7.915  -9.814  -9.814
   44    HD2  PHE   5          1HD       PHE   5  11.512  -9.054  -9.054
   45    HE1  PHE   5          2HE       PHE   5   9.297 -10.515 -10.515
   46    HE2  PHE   5          1HE       PHE   5  12.876  -9.793  -9.793
   47    HZ   PHE   5           HZ       PHE   5  11.758 -10.511 -10.511
   48    H    SER   6           H        SER   6   8.579  -8.963  -8.963
   49    HA   SER   6           HA       SER   6   6.143  -7.477  -7.477
   50   1HB   SER   6          1HB       SER   6   7.407  -6.651  -6.651
   51   2HB   SER   6          2HB       SER   6   8.338  -6.550  -6.550
   52    HG   SER   6           HG       SER   6   8.615  -8.879  -8.879
   53    H    ARG   7           H        ARG   7   5.248  -7.509  -7.509
   54    HA   ARG   7           HA       ARG   7   4.962 -10.203 -10.203
   55   1HB   ARG   7          1HB       ARG   7   2.448 -10.061 -10.061
   56   2HB   ARG   7          2HB       ARG   7   3.407 -10.591 -10.591
   57   1HG   ARG   7          1HG       ARG   7   2.946  -8.761  -8.761
   58   2HG   ARG   7          2HG       ARG   7   2.908  -7.624  -7.624
   59   1HD   ARG   7          1HD       ARG   7   0.757  -9.707  -9.707
   60   2HD   ARG   7          2HD       ARG   7   0.694  -8.052  -8.052
   61    HE   ARG   7           HE       ARG   7   1.191  -7.873  -7.873
   62   1HH1  ARG   7          2HH2      ARG   7  -1.349  -8.961  -8.961
   63   2HH1  ARG   7          1HH2      ARG   7  -2.661  -8.584  -8.584
   64   1HH2  ARG   7          2HH1      ARG   7  -0.673  -7.048  -7.048
   65   2HH2  ARG   7          1HH1      ARG   7  -2.258  -7.423  -7.423
   66    H    MET   8           H        MET   8   5.656  -9.301  -9.301
   67    HA   MET   8           HA       MET   8   5.405  -6.781  -6.781
   68   1HB   MET   8          1HB       MET   8   5.403  -9.431  -9.431
   69   2HB   MET   8          2HB       MET   8   5.673  -7.868  -7.868
   70   1HG   MET   8          1HG       MET   8   7.654  -7.523  -7.523
   71   2HG   MET   8          2HG       MET   8   7.396  -9.127  -9.127
   72   1HE   MET   8          3HE       MET   8  10.078  -8.026  -8.026
   73   2HE   MET   8          1HE       MET   8   9.923  -9.649  -9.649
   74   3HE   MET   8          2HE       MET   8  10.629  -9.457  -9.457
   75    HA   PRO   9           HA       PRO   9   1.005  -6.899  -6.899
   76   1HB   PRO   9          1HB       PRO   9   0.383  -4.452  -4.452
   77   2HB   PRO   9          2HB       PRO   9   0.718  -4.779  -4.779
   78   1HG   PRO   9          1HG       PRO   9   2.624  -3.604  -3.604
   79   2HG   PRO   9          2HG       PRO   9   2.446  -3.236  -3.236
   80   1HD   PRO   9          1HD       PRO   9   4.460  -4.848  -4.848
   81   2HD   PRO   9          2HD       PRO   9   3.555  -5.234  -5.234
   82    H    ILE  10           H        ILE  10  -0.127  -7.991  -7.991
   83    HA   ILE  10           HA       ILE  10   0.406  -7.941  -7.941
   84    HB   ILE  10           HB       ILE  10  -1.148  -9.955  -9.955
   85   1HG1  ILE  10          1HG1      ILE  10   1.598 -10.108 -10.108
   86   2HG1  ILE  10          2HG1      ILE  10   1.253 -10.112 -10.112
   87   1HG2  ILE  10          2HG2      ILE  10  -1.982  -9.629  -9.629
   88   2HG2  ILE  10          3HG2      ILE  10  -0.361 -10.052 -10.052
   89   3HG2  ILE  10          1HG2      ILE  10  -1.349 -11.234 -11.234
   90   1HD1  ILE  10          1HD1      ILE  10  -0.031 -12.251 -12.251
   91   2HD1  ILE  10          2HD1      ILE  10   0.582 -12.306 -12.306
   92   3HD1  ILE  10          3HD1      ILE  10   1.712 -12.357 -12.357
   93    H    CYS  11           H        CYS  11  -0.483  -5.864  -5.864
   94    HA   CYS  11           HA       CYS  11  -3.230  -5.321  -5.321
   95   1HB   CYS  11          1HB       CYS  11  -1.394  -3.817  -3.817
   96   2HB   CYS  11          2HB       CYS  11  -2.998  -3.305  -3.305
   97    H    GLU  12           H        GLU  12  -4.009  -7.247  -7.247
   98    HA   GLU  12           HA       GLU  12  -5.350  -6.590  -6.590
   99   1HB   GLU  12          1HB       GLU  12  -4.034  -9.338  -9.338
  100   2HB   GLU  12          2HB       GLU  12  -5.280  -8.994  -8.994
  101   1HG   GLU  12          1HG       GLU  12  -3.767  -7.187  -7.187
  102   2HG   GLU  12          2HG       GLU  12  -2.479  -7.831  -7.831
  103    H    HIS  13           H        HIS  13  -7.371  -7.789  -7.789
  104    HA   HIS  13           HA       HIS  13  -8.309  -8.876  -8.876
  105   1HB   HIS  13          1HB       HIS  13  -9.816  -7.126  -7.126
  106   2HB   HIS  13          2HB       HIS  13 -10.508  -7.955  -7.955
  107    HD1  HIS  13           HD1      HIS  13 -10.024  -6.938  -6.938
  108    HD2  HIS  13           HD2      HIS  13  -7.935  -5.125  -5.125
  109    HE1  HIS  13           HE1      HIS  13  -8.738  -4.971  -4.971
  110    HE2  HIS  13           HE2      HIS  13  -7.439  -3.899  -3.899
  111    H    MET  14           H        MET  14 -10.152 -10.437 -10.437
  112    HA   MET  14           HA       MET  14  -9.843 -12.267 -12.267
  113   1HB   MET  14          1HB       MET  14 -12.297 -11.614 -11.614
  114   2HB   MET  14          2HB       MET  14 -12.043 -13.071 -13.071
  115   1HG   MET  14          1HG       MET  14 -11.388 -13.848 -13.848
  116   2HG   MET  14          2HG       MET  14  -9.829 -13.283 -13.283
  117   1HE   MET  14          1HE       MET  14 -12.779 -12.968 -12.968
  118   2HE   MET  14          2HE       MET  14 -12.400 -11.482 -11.482
  119   3HE   MET  14          3HE       MET  14 -12.956 -11.389 -11.389
  120    H    THR  15           H        THR  15 -11.449 -12.606 -12.606
  121    HA   THR  15           HA       THR  15 -12.093 -10.298 -10.298
  122    HB   THR  15           HB       THR  15 -13.571 -12.049 -12.049
  123    HG1  THR  15           HG1      THR  15 -12.337 -13.735 -13.735
  124   1HG2  THR  15          2HG2      THR  15 -11.240 -11.629 -11.629
  125   2HG2  THR  15          3HG2      THR  15 -10.644 -12.828 -12.828
  126   3HG2  THR  15          1HG2      THR  15 -11.684 -13.333 -13.333
  127    H    GLU  16           H        GLU  16 -14.193 -12.591 -12.591
  128    HA   GLU  16           HA       GLU  16 -16.421 -10.850 -10.850
  129   1HB   GLU  16          1HB       GLU  16 -15.394 -13.327 -13.327
  130   2HB   GLU  16          2HB       GLU  16 -16.970 -12.617 -12.617
  131   1HG   GLU  16          1HG       GLU  16 -16.068 -13.637 -13.637
  132   2HG   GLU  16          2HG       GLU  16 -16.899 -14.610 -14.610
  133    H    SER  17           H        SER  17 -15.257  -8.863  -8.863
  134    HA   SER  17           HA       SER  17 -15.141  -8.801  -8.801
  135   1HB   SER  17          1HB       SER  17 -12.810  -9.353  -9.353
  136   2HB   SER  17          2HB       SER  17 -12.773  -7.959  -7.959
  137    HG   SER  17           HG       SER  17 -12.969  -6.591  -6.591
  138    HA   PRO  18           HA       PRO  18 -16.494  -4.543  -4.543
  139   1HB   PRO  18          1HB       PRO  18 -15.794  -3.326  -3.326
  140   2HB   PRO  18          2HB       PRO  18 -17.279  -4.307  -4.307
  141   1HG   PRO  18          1HG       PRO  18 -14.610  -5.187  -5.187
  142   2HG   PRO  18          2HG       PRO  18 -16.234  -5.437  -5.437
  143   1HD   PRO  18          1HD       PRO  18 -15.014  -7.359  -7.359
  144   2HD   PRO  18          2HD       PRO  18 -16.762  -7.102  -7.102
  145    H    ASP  19           H        ASP  19 -15.354  -2.498  -2.498
  146    HA   ASP  19           HA       ASP  19 -12.590  -2.830  -2.830
  147   1HB   ASP  19          1HB       ASP  19 -14.662  -0.610  -0.610
  148   2HB   ASP  19          2HB       ASP  19 -13.039  -0.495  -0.495
  149    H    CYS  20           H        CYS  20 -11.677  -0.189  -0.189
  150    HA   CYS  20           HA       CYS  20 -10.891  -0.104  -0.104
  151   1HB   CYS  20          1HB       CYS  20 -10.644   1.679   1.679
  152   2HB   CYS  20          2HB       CYS  20 -10.608   2.481   2.481
  153    H    SER  21           H        SER  21 -11.441   1.736   1.736
  154    HA   SER  21           HA       SER  21 -12.779   2.958   2.958
  155   1HB   SER  21          1HB       SER  21 -14.293   3.470   3.470
  156   2HB   SER  21          2HB       SER  21 -14.503   4.386   4.386
  157    HG   SER  21           HG       SER  21 -12.276   4.859   4.859
  158    H    ARG  22           H        ARG  22 -14.938   3.324   3.324
  159    HA   ARG  22           HA       ARG  22 -15.966   2.277   2.277
  160   1HB   ARG  22          1HB       ARG  22 -17.282   1.210   1.210
  161   2HB   ARG  22          2HB       ARG  22 -17.781   0.528   0.528
  162   1HG   ARG  22          1HG       ARG  22 -17.542   3.526   3.526
  163   2HG   ARG  22          2HG       ARG  22 -18.772   2.824   2.824
  164   1HD   ARG  22          1HD       ARG  22 -19.742   3.259   3.259
  165   2HD   ARG  22          2HD       ARG  22 -19.679   1.523   1.523
  166    HE   ARG  22           HE       ARG  22 -17.471   2.816   2.816
  167   1HH1  ARG  22          2HH2      ARG  22 -19.517   0.053   0.053
  168   2HH1  ARG  22          1HH2      ARG  22 -20.274   0.346   0.346
  169   1HH2  ARG  22          2HH1      ARG  22 -17.858   2.916   2.916
  170   2HH2  ARG  22          1HH1      ARG  22 -19.035   1.828   1.828
  171    H    ILE  23           H        ILE  23 -13.411   1.344   1.344
  172    HA   ILE  23           HA       ILE  23 -13.650  -1.453  -1.453
  173    HB   ILE  23           HB       ILE  23 -11.086  -0.307  -0.307
  174   1HG1  ILE  23          1HG1      ILE  23 -13.039  -2.001  -2.001
  175   2HG1  ILE  23          2HG1      ILE  23 -12.564  -0.321  -0.321
  176   1HG2  ILE  23          3HG2      ILE  23 -11.305  -2.271  -2.271
  177   2HG2  ILE  23          1HG2      ILE  23 -12.071  -3.178  -3.178
  178   3HG2  ILE  23          2HG2      ILE  23 -10.392  -2.627  -2.627
  179   1HD1  ILE  23          2HD1      ILE  23 -10.201  -0.984  -0.984
  180   2HD1  ILE  23          3HD1      ILE  23 -10.677  -2.688  -2.688
  181   3HD1  ILE  23          1HD1      ILE  23 -11.241  -1.708  -1.708
  182    H    TYR  24           H        TYR  24 -14.092  -0.861  -0.861
  183    HA   TYR  24           HA       TYR  24 -11.983   0.596   0.596
  184   1HB   TYR  24          1HB       TYR  24 -14.441   0.987   0.987
  185   2HB   TYR  24          2HB       TYR  24 -14.566  -0.688  -0.688
  186    HD1  TYR  24           HD1      TYR  24 -12.627  -1.376  -1.376
  187    HD2  TYR  24           HD2      TYR  24 -14.190   2.582   2.582
  188    HE1  TYR  24           HE1      TYR  24 -11.889  -0.653  -0.653
  189    HE2  TYR  24           HE2      TYR  24 -13.856   3.121   3.121
  190    HH   TYR  24           HH       TYR  24 -12.766   2.568   2.568
  191    H    ASP  25           H        ASP  25 -10.269  -0.852  -0.852
  192    HA   ASP  25           HA       ASP  25 -10.521  -3.505  -3.505
  193   1HB   ASP  25          1HB       ASP  25 -11.266  -3.837  -3.837
  194   2HB   ASP  25          2HB       ASP  25  -9.685  -3.224  -3.224
  195    HA   PRO  26           HA       PRO  26  -6.973  -0.560  -0.560
  196   1HB   PRO  26          1HB       PRO  26  -6.400  -0.412  -0.412
  197   2HB   PRO  26          2HB       PRO  26  -7.588   0.581   0.581
  198   1HG   PRO  26          1HG       PRO  26  -8.093  -1.937  -1.937
  199   2HG   PRO  26          2HG       PRO  26  -9.042  -0.416  -0.416
  200   1HD   PRO  26          1HD       PRO  26  -9.831  -2.588  -2.588
  201   2HD   PRO  26          2HD       PRO  26 -10.012  -0.935  -0.935
  202    H    VAL  27           H        VAL  27  -4.714  -0.597  -0.597
  203    HA   VAL  27           HA       VAL  27  -3.410  -2.932  -2.932
  204    HB   VAL  27           HB       VAL  27  -2.118  -3.341  -3.341
  205   1HG1  VAL  27          2HG1      VAL  27  -4.179  -4.733  -4.733
  206   2HG1  VAL  27          3HG1      VAL  27  -5.086  -3.650  -3.650
  207   3HG1  VAL  27          1HG1      VAL  27  -3.735  -4.600  -4.600
  208   1HG2  VAL  27          2HG2      VAL  27  -2.402  -1.143  -1.143
  209   2HG2  VAL  27          3HG2      VAL  27  -2.928  -2.452  -2.452
  210   3HG2  VAL  27          1HG2      VAL  27  -4.132  -1.460  -1.460
  211    H    CYS  28           H        CYS  28  -0.996  -2.445  -2.445
  212    HA   CYS  28           HA       CYS  28  -0.561   0.521   0.521
  213   1HB   CYS  28          1HB       CYS  28  -0.325  -0.637  -0.637
  214   2HB   CYS  28          2HB       CYS  28   1.045  -1.570  -1.570
  215    H    GLY  29           H        GLY  29   0.808   1.480   1.480
  216   1HA   GLY  29          1HA       GLY  29   2.325  -0.112  -0.112
  217   2HA   GLY  29          2HA       GLY  29   2.180   1.648   1.648
  218    H    THR  30           H        THR  30   4.651  -0.097  -0.097
  219    HA   THR  30           HA       THR  30   6.170   0.158   0.158
  220    HB   THR  30           HB       THR  30   8.109   0.001   0.001
  221    HG1  THR  30           HG1      THR  30   7.110   0.661   0.661
  222   1HG2  THR  30          2HG2      THR  30   5.980  -2.145  -2.145
  223   2HG2  THR  30          3HG2      THR  30   7.687  -2.352  -2.352
  224   3HG2  THR  30          1HG2      THR  30   7.312  -1.895  -1.895
  225    H    ASP  31           H        ASP  31   4.957   2.704   2.704
  226    HA   ASP  31           HA       ASP  31   7.209   4.524   4.524
  227   1HB   ASP  31          1HB       ASP  31   5.781   6.173   6.173
  228   2HB   ASP  31          2HB       ASP  31   5.469   4.733   4.733
  229    H    GLY  32           H        GLY  32   4.434   3.226   3.226
  230   1HA   GLY  32          1HA       GLY  32   4.490   3.026   3.026
  231   2HA   GLY  32          2HA       GLY  32   5.166   4.665   4.665
  232    H    VAL  33           H        VAL  33   2.751   4.481   4.481
  233    HA   VAL  33           HA       VAL  33   0.826   5.798   5.798
  234    HB   VAL  33           HB       VAL  33   1.211   5.985   5.985
  235   1HG1  VAL  33          3HG1      VAL  33  -0.671   7.480   7.480
  236   2HG1  VAL  33          1HG1      VAL  33  -0.350   7.877   7.877
  237   3HG1  VAL  33          2HG1      VAL  33  -1.144   6.349   6.349
  238   1HG2  VAL  33          3HG2      VAL  33   1.845   7.809   7.809
  239   2HG2  VAL  33          1HG2      VAL  33   3.025   7.116   7.116
  240   3HG2  VAL  33          2HG2      VAL  33   1.900   8.362   8.362
  241    H    THR  34           H        THR  34  -1.285   5.137   5.137
  242    HA   THR  34           HA       THR  34  -1.804   2.337   2.337
  243    HB   THR  34           HB       THR  34  -3.500   4.450   4.450
  244    HG1  THR  34           HG1      THR  34  -1.534   3.709   3.709
  245   1HG2  THR  34          3HG2      THR  34  -3.884   1.450   1.450
  246   2HG2  THR  34          1HG2      THR  34  -4.821   2.481   2.481
  247   3HG2  THR  34          2HG2      THR  34  -4.922   2.744   2.744
  248    H    TYR  35           H        TYR  35  -2.770   1.810   1.810
  249    HA   TYR  35           HA       TYR  35  -4.128   3.933   3.933
  250   1HB   TYR  35          1HB       TYR  35  -2.667   1.411   1.411
  251   2HB   TYR  35          2HB       TYR  35  -3.760   2.302   2.302
  252    HD1  TYR  35           HD2      TYR  35  -3.331   4.750   4.750
  253    HD2  TYR  35           HD1      TYR  35  -0.394   2.297   2.297
  254    HE1  TYR  35           HE2      TYR  35  -1.586   6.426   6.426
  255    HE2  TYR  35           HE1      TYR  35   1.380   3.893   3.893
  256    HH   TYR  35           HH       TYR  35   0.644   6.905   6.905
  257    H    GLU  36           H        GLU  36  -6.207   3.566   3.566
  258    HA   GLU  36           HA       GLU  36  -7.644   1.898   1.898
  259   1HB   GLU  36          1HB       GLU  36  -8.724   3.319   3.319
  260   2HB   GLU  36          2HB       GLU  36  -9.608   2.833   2.833
  261   1HG   GLU  36          1HG       GLU  36  -8.381   4.400   4.400
  262   2HG   GLU  36          2HG       GLU  36  -7.299   4.869   4.869
  263    H    SER  37           H        SER  37  -6.300   1.185   1.185
  264    HA   SER  37           HA       SER  37  -7.163  -1.489  -1.489
  265   1HB   SER  37          1HB       SER  37  -8.451  -1.198  -1.198
  266   2HB   SER  37          2HB       SER  37  -9.260  -1.129  -1.129
  267    HG   SER  37           HG       SER  37  -9.660   0.874   0.874
  268    H    GLU  38           H        GLU  38  -6.300  -2.747  -2.747
  269    HA   GLU  38           HA       GLU  38  -3.702  -2.127  -2.127
  270   1HB   GLU  38          1HB       GLU  38  -4.853  -4.291  -4.291
  271   2HB   GLU  38          2HB       GLU  38  -5.893  -3.889  -3.889
  272   1HG   GLU  38          1HG       GLU  38  -4.581  -5.034  -5.034
  273   2HG   GLU  38          2HG       GLU  38  -3.427  -3.739  -3.739
  274    H    CYS  39           H        CYS  39  -6.804  -1.428  -1.428
  275    HA   CYS  39           HA       CYS  39  -6.029  -0.438  -0.438
  276   1HB   CYS  39          1HB       CYS  39  -8.385  -0.617  -0.617
  277   2HB   CYS  39          2HB       CYS  39  -8.192   0.357   0.357
  278    H    LYS  40           H        LYS  40  -6.534   1.484   1.484
  279    HA   LYS  40           HA       LYS  40  -5.427   3.877   3.877
  280   1HB   LYS  40          1HB       LYS  40  -5.894   3.175   3.175
  281   2HB   LYS  40          2HB       LYS  40  -5.441   4.767   4.767
  282   1HG   LYS  40          1HG       LYS  40  -7.529   4.666   4.666
  283   2HG   LYS  40          2HG       LYS  40  -7.993   3.213   3.213
  284   1HD   LYS  40          1HD       LYS  40  -9.189   4.956   4.956
  285   2HD   LYS  40          2HD       LYS  40  -7.857   4.605   4.605
  286   1HE   LYS  40          1HE       LYS  40  -6.632   6.596   6.596
  287   2HE   LYS  40          2HE       LYS  40  -7.934   6.901   6.901
  288   1HZ   LYS  40          3HZ       LYS  40  -9.416   7.281   7.281
  289   2HZ   LYS  40          1HZ       LYS  40  -8.212   7.017   7.017
  290   3HZ   LYS  40          2HZ       LYS  40  -8.104   8.287   8.287
  291    H    LEU  41           H        LEU  41  -3.992   1.195   1.195
  292    HA   LEU  41           HA       LEU  41  -1.507   2.518   2.518
  293   1HB   LEU  41          1HB       LEU  41  -2.331   0.422   0.422
  294   2HB   LEU  41          2HB       LEU  41  -1.923  -0.467  -0.467
  295    HG   LEU  41           HG       LEU  41   0.210   1.288   1.288
  296   1HD1  LEU  41          2HD1      LEU  41  -0.777  -1.353  -1.353
  297   2HD1  LEU  41          3HD1      LEU  41   0.812  -0.659  -0.659
  298   3HD1  LEU  41          1HD1      LEU  41  -0.675   0.190   0.190
  299   1HD2  LEU  41          1HD2      LEU  41   0.561  -0.134  -0.134
  300   2HD2  LEU  41          2HD2      LEU  41   1.734  -0.378  -0.378
  301   3HD2  LEU  41          3HD2      LEU  41   0.453  -1.551  -1.551
  302    H    CYS  42           H        CYS  42  -2.542   0.310   0.310
  303    HA   CYS  42           HA       CYS  42  -0.192   0.781   0.781
  304   1HB   CYS  42          1HB       CYS  42  -2.741  -0.493  -0.493
  305   2HB   CYS  42          2HB       CYS  42  -2.096   0.421   0.421
  306    H    LEU  43           H        LEU  43  -3.254   2.584   2.584
  307    HA   LEU  43           HA       LEU  43  -2.563   4.463   4.463
  308   1HB   LEU  43          1HB       LEU  43  -4.087   4.738   4.738
  309   2HB   LEU  43          2HB       LEU  43  -4.011   6.031   6.031
  310    HG   LEU  43           HG       LEU  43  -5.301   3.318   3.318
  311   1HD1  LEU  43          2HD1      LEU  43  -6.574   5.011   5.011
  312   2HD1  LEU  43          3HD1      LEU  43  -6.453   6.139   6.139
  313   3HD1  LEU  43          1HD1      LEU  43  -7.347   4.616   4.616
  314   1HD2  LEU  43          2HD2      LEU  43  -4.840   5.595   5.595
  315   2HD2  LEU  43          3HD2      LEU  43  -4.343   3.891   3.891
  316   3HD2  LEU  43          1HD2      LEU  43  -6.048   4.311   4.311
  317    H    ALA  44           H        ALA  44  -1.764   4.605   4.605
  318    HA   ALA  44           HA       ALA  44  -0.122   6.900   6.900
  319   1HB   ALA  44          1HB       ALA  44  -0.955   6.110   6.110
  320   2HB   ALA  44          1HB       ALA  44   0.049   4.645   4.645
  321   3HB   ALA  44          2HB       ALA  44   0.819   6.243   6.243
  322    H    ARG  45           H        ARG  45   0.767   3.431   3.431
  323    HA   ARG  45           HA       ARG  45   3.569   3.747   3.747
  324   1HB   ARG  45          1HB       ARG  45   1.791   1.838   1.838
  325   2HB   ARG  45          2HB       ARG  45   3.545   1.788   1.788
  326   1HG   ARG  45          1HG       ARG  45   3.505   1.413   1.413
  327   2HG   ARG  45          2HG       ARG  45   1.751   1.479   1.479
  328   1HD   ARG  45          1HD       ARG  45   2.046  -0.792  -0.792
  329   2HD   ARG  45          2HD       ARG  45   1.906  -0.506  -0.506
  330    HE   ARG  45           HE       ARG  45   4.228  -1.258  -1.258
  331   1HH1  ARG  45          2HH2      ARG  45   3.262  -0.231  -0.231
  332   2HH1  ARG  45          1HH2      ARG  45   4.523  -1.112  -1.112
  333   1HH2  ARG  45          2HH1      ARG  45   5.921  -2.379  -2.379
  334   2HH2  ARG  45          1HH1      ARG  45   5.880  -2.591  -2.591
  335    H    ILE  46           H        ILE  46   1.046   3.988   3.988
  336    HA   ILE  46           HA       ILE  46   2.786   4.589   4.589
  337    HB   ILE  46           HB       ILE  46  -0.187   5.048   5.048
  338   1HG1  ILE  46          1HG1      ILE  46   1.179   2.992   2.992
  339   2HG1  ILE  46          2HG1      ILE  46   0.821   2.649   2.649
  340   1HG2  ILE  46          2HG2      ILE  46   1.461   5.349   5.349
  341   2HG2  ILE  46          3HG2      ILE  46  -0.310   5.301   5.301
  342   3HG2  ILE  46          1HG2      ILE  46   0.536   6.628   6.628
  343   1HD1  ILE  46          3HD1      ILE  46  -1.585   3.112   3.112
  344   2HD1  ILE  46          1HD1      ILE  46  -1.251   3.318   3.318
  345   3HD1  ILE  46          2HD1      ILE  46  -0.956   1.758   1.758
  346    H    GLU  47           H        GLU  47   0.693   6.725   6.725
  347    HA   GLU  47           HA       GLU  47   1.493   9.150   9.150
  348   1HB   GLU  47          1HB       GLU  47   0.538   8.417   8.417
  349   2HB   GLU  47          2HB       GLU  47   0.672  10.090  10.090
  350   1HG   GLU  47          1HG       GLU  47  -0.949   9.801   9.801
  351   2HG   GLU  47          2HG       GLU  47  -0.955   8.044   8.044
  352    H    ASN  48           H        ASN  48   3.105   7.190   7.190
  353    HA   ASN  48           HA       ASN  48   5.143   9.232   9.232
  354   1HB   ASN  48          1HB       ASN  48   4.645   6.380   6.380
  355   2HB   ASN  48          2HB       ASN  48   6.136   7.243   7.243
  356   1HD2  ASN  48          2HD2      ASN  48   2.757   8.788   8.788
  357   2HD2  ASN  48          1HD2      ASN  48   2.600   7.839   7.839
  358    H    LYS  49           H        LYS  49   4.745   6.671   6.671
  359    HA   LYS  49           HA       LYS  49   6.099   5.304   5.304
  360   1HB   LYS  49          1HB       LYS  49   8.234   7.466   7.466
  361   2HB   LYS  49          2HB       LYS  49   8.003   6.154   6.154
  362   1HG   LYS  49          1HG       LYS  49   5.763   7.290   7.290
  363   2HG   LYS  49          2HG       LYS  49   6.274   8.598   8.598
  364   1HD   LYS  49          1HD       LYS  49   7.074   9.405   9.405
  365   2HD   LYS  49          2HD       LYS  49   8.496   8.672   8.672
  366   1HE   LYS  49          1HE       LYS  49   8.281   8.114   8.114
  367   2HE   LYS  49          2HE       LYS  49   8.149   6.635   6.635
  368   1HZ   LYS  49          2HZ       LYS  49   5.748   8.096   8.096
  369   2HZ   LYS  49          3HZ       LYS  49   6.446   7.024   7.024
  370   3HZ   LYS  49          1HZ       LYS  49   5.871   6.519   6.519
  371    H    GLN  50           H        GLN  50   5.967   4.586   4.586
  372    HA   GLN  50           HA       GLN  50   8.749   3.794   3.794
  373   1HB   GLN  50          1HB       GLN  50   6.581   4.944   4.944
  374   2HB   GLN  50          2HB       GLN  50   7.878   3.945   3.945
  375   1HG   GLN  50          1HG       GLN  50   8.372   6.518   6.518
  376   2HG   GLN  50          2HG       GLN  50   8.291   6.351   6.351
  377   1HE2  GLN  50          2HE2      GLN  50  11.889   6.207   6.207
  378   2HE2  GLN  50          1HE2      GLN  50  10.581   7.376   7.376
  379    H    ASP  51           H        ASP  51   8.928   1.868   1.868
  380    HA   ASP  51           HA       ASP  51   6.698  -0.023  -0.023
  381   1HB   ASP  51          1HB       ASP  51   9.036  -0.620  -0.620
  382   2HB   ASP  51          2HB       ASP  51   9.486  -0.512  -0.512
  383    H    ILE  52           H        ILE  52   5.360   1.160   1.160
  384    HA   ILE  52           HA       ILE  52   5.975   0.966   0.966
  385    HB   ILE  52           HB       ILE  52   3.219   1.280   1.280
  386   1HG1  ILE  52          1HG1      ILE  52   5.145   3.506   3.506
  387   2HG1  ILE  52          2HG1      ILE  52   4.737   3.117   3.117
  388   1HG2  ILE  52          3HG2      ILE  52   3.427   0.576   0.576
  389   2HG2  ILE  52          1HG2      ILE  52   4.358   2.049   2.049
  390   3HG2  ILE  52          2HG2      ILE  52   2.661   2.145   2.145
  391   1HD1  ILE  52          2HD1      ILE  52   2.317   3.538   3.538
  392   2HD1  ILE  52          3HD1      ILE  52   2.823   4.165   4.165
  393   3HD1  ILE  52          1HD1      ILE  52   3.374   4.960   4.960
  394    H    GLN  53           H        GLN  53   5.853  -0.893  -0.893
  395    HA   GLN  53           HA       GLN  53   4.564  -3.309  -3.309
  396   1HB   GLN  53          1HB       GLN  53   7.006  -2.757  -2.757
  397   2HB   GLN  53          2HB       GLN  53   6.064  -4.155  -4.155
  398   1HG   GLN  53          1HG       GLN  53   6.715  -3.727  -3.727
  399   2HG   GLN  53          2HG       GLN  53   8.005  -4.240  -4.240
  400   1HE2  GLN  53          2HE2      GLN  53   7.013  -7.510  -7.510
  401   2HE2  GLN  53          1HE2      GLN  53   7.951  -6.131  -6.131
  402    H    ILE  54           H        ILE  54   3.400  -4.602  -4.602
  403    HA   ILE  54           HA       ILE  54   1.962  -2.975  -2.975
  404    HB   ILE  54           HB       ILE  54   1.388  -5.625  -5.625
  405   1HG1  ILE  54          1HG1      ILE  54  -0.303  -3.133  -3.133
  406   2HG1  ILE  54          2HG1      ILE  54   0.756  -3.295  -3.295
  407   1HG2  ILE  54          1HG2      ILE  54   0.090  -4.410  -4.410
  408   2HG2  ILE  54          2HG2      ILE  54  -0.583  -5.766  -5.766
  409   3HG2  ILE  54          3HG2      ILE  54   0.957  -5.957  -5.957
  410   1HD1  ILE  54          3HD1      ILE  54  -1.625  -5.124  -5.124
  411   2HD1  ILE  54          1HD1      ILE  54  -1.537  -3.807  -3.807
  412   3HD1  ILE  54          2HD1      ILE  54  -0.486  -5.202  -5.202
  413    H    VAL  55           H        VAL  55   2.715  -3.003  -3.003
  414    HA   VAL  55           HA       VAL  55   4.988  -4.679  -4.679
  415    HB   VAL  55           HB       VAL  55   3.084  -2.925  -2.925
  416   1HG1  VAL  55          1HG1      VAL  55   4.379  -4.550  -4.550
  417   2HG1  VAL  55          2HG1      VAL  55   5.880  -3.975  -3.975
  418   3HG1  VAL  55          3HG1      VAL  55   4.923  -2.896  -2.896
  419   1HG2  VAL  55          2HG2      VAL  55   4.280  -1.601  -1.601
  420   2HG2  VAL  55          3HG2      VAL  55   4.702  -1.148  -1.148
  421   3HG2  VAL  55          1HG2      VAL  55   5.814  -2.154  -2.154
  422    H    LYS  56           H        LYS  56   1.540  -4.359  -4.359
  423    HA   LYS  56           HA       LYS  56   0.915  -7.064  -7.064
  424   1HB   LYS  56          1HB       LYS  56   0.571  -7.447  -7.447
  425   2HB   LYS  56          2HB       LYS  56   2.264  -7.122  -7.122
  426   1HG   LYS  56          1HG       LYS  56   2.108  -5.663  -5.663
  427   2HG   LYS  56          2HG       LYS  56   1.369  -4.576  -4.576
  428   1HD   LYS  56          1HD       LYS  56  -0.873  -5.915  -5.915
  429   2HD   LYS  56          2HD       LYS  56   0.101  -6.374  -6.374
  430   1HE   LYS  56          1HE       LYS  56  -1.313  -4.350  -4.350
  431   2HE   LYS  56          2HE       LYS  56   0.415  -4.030  -4.030
  432   1HZ   LYS  56          3HZ       LYS  56  -1.266  -3.441  -3.441
  433   2HZ   LYS  56          1HZ       LYS  56  -1.014  -2.414  -2.414
  434   3HZ   LYS  56          2HZ       LYS  56   0.287  -2.854  -2.854
  435    H    ASP  57           H        ASP  57  -1.374  -7.250  -7.250
  436    HA   ASP  57           HA       ASP  57  -2.869  -5.286  -5.286
  437   1HB   ASP  57          1HB       ASP  57  -3.813  -7.453  -7.453
  438   2HB   ASP  57          2HB       ASP  57  -4.812  -6.632  -6.632
  439    H    GLY  58           H        GLY  58  -4.934  -4.318  -4.318
  440   1HA   GLY  58          1HA       GLY  58  -6.045  -3.141  -3.141
  441   2HA   GLY  58          2HA       GLY  58  -5.144  -3.921  -3.921
  442    H    GLU  59           H        GLU  59  -5.486  -1.655  -1.655
  443    HA   GLU  59           HA       GLU  59  -3.954   0.519   0.519
  444   1HB   GLU  59          1HB       GLU  59  -5.076   0.286   0.286
  445   2HB   GLU  59          2HB       GLU  59  -4.590   1.753   1.753
  446   1HG   GLU  59          1HG       GLU  59  -6.352   1.220   1.220
  447   2HG   GLU  59          2HG       GLU  59  -6.934  -0.080  -0.080
  448    H    CYS  60           H        CYS  60  -2.026   1.439   1.439
  449    HA   CYS  60           HA       CYS  60  -0.122  -0.589  -0.589
  450   1HB   CYS  60          1HB       CYS  60   0.082   2.078   2.078
  451   2HB   CYS  60          2HB       CYS  60   0.826   1.733   1.733

  Start of MODEL   13
    1   1H    GLU   1          1HN       GLU   1  18.638 -11.031 -11.031
    2   2H    GLU   1          2HN       GLU   1  18.145  -9.900  -9.900
    3   3H    GLU   1          3HN       GLU   1  18.280  -9.460  -9.460
    4    HA   GLU   1           HA       GLU   1  16.039  -9.695  -9.695
    5   1HB   GLU   1          1HB       GLU   1  16.386 -12.633 -12.633
    6   2HB   GLU   1          2HB       GLU   1  15.093 -11.547 -11.547
    7   1HG   GLU   1          1HG       GLU   1  17.893 -11.831 -11.831
    8   2HG   GLU   1          2HG       GLU   1  16.359 -12.268 -12.268
    9    H    LYS   2           H        LYS   2  17.422  -9.489  -9.489
   10    HA   LYS   2           HA       LYS   2  17.089 -11.852 -11.852
   11   1HB   LYS   2          1HB       LYS   2  17.985  -9.034  -9.034
   12   2HB   LYS   2          2HB       LYS   2  17.891 -10.410 -10.410
   13   1HG   LYS   2          1HG       LYS   2  19.438 -11.679 -11.679
   14   2HG   LYS   2          2HG       LYS   2  19.587 -10.281 -10.281
   15   1HD   LYS   2          1HD       LYS   2  20.318  -8.938  -8.938
   16   2HD   LYS   2          2HD       LYS   2  20.481 -10.493 -10.493
   17   1HE   LYS   2          1HE       LYS   2  21.931  -9.541  -9.541
   18   2HE   LYS   2          2HE       LYS   2  22.649  -9.771  -9.771
   19   1HZ   LYS   2          2HZ       LYS   2  21.602 -11.941 -11.941
   20   2HZ   LYS   2          3HZ       LYS   2  23.165 -11.535 -11.535
   21   3HZ   LYS   2          1HZ       LYS   2  22.285 -12.144 -12.144
   22    H    GLN   3           H        GLN   3  15.954  -8.510  -8.510
   23    HA   GLN   3           HA       GLN   3  14.064  -9.579  -9.579
   24   1HB   GLN   3          1HB       GLN   3  14.395  -6.711  -6.711
   25   2HB   GLN   3          2HB       GLN   3  13.525  -7.263  -7.263
   26   1HG   GLN   3          1HG       GLN   3  15.666  -8.260  -8.260
   27   2HG   GLN   3          2HG       GLN   3  16.534  -7.501  -7.501
   28   1HE2  GLN   3          2HE2      GLN   3  16.261  -4.192  -4.192
   29   2HE2  GLN   3          1HE2      GLN   3  16.341  -4.999  -4.999
   30    H    VAL   4           H        VAL   4  12.417 -10.754 -10.754
   31    HA   VAL   4           HA       VAL   4  10.554  -9.328  -9.328
   32    HB   VAL   4           HB       VAL   4  11.527 -11.391 -11.391
   33   1HG1  VAL   4          2HG1      VAL   4  11.798 -12.688 -12.688
   34   2HG1  VAL   4          3HG1      VAL   4  10.045 -12.937 -12.937
   35   3HG1  VAL   4          1HG1      VAL   4  10.977 -13.587 -13.587
   36   1HG2  VAL   4          1HG2      VAL   4   9.250 -10.575 -10.575
   37   2HG2  VAL   4          2HG2      VAL   4   9.505 -12.312 -12.312
   38   3HG2  VAL   4          3HG2      VAL   4   8.546 -11.739 -11.739
   39    H    PHE   5           H        PHE   5  10.477  -8.303  -8.303
   40    HA   PHE   5           HA       PHE   5   8.704  -9.803  -9.803
   41   1HB   PHE   5          1HB       PHE   5  10.341  -8.166  -8.166
   42   2HB   PHE   5          2HB       PHE   5   9.496  -6.876  -6.876
   43    HD1  PHE   5          1HD       PHE   5   8.901  -9.609  -9.609
   44    HD2  PHE   5          1HD       PHE   5   7.738  -5.720  -5.720
   45    HE1  PHE   5          2HE       PHE   5   7.626  -9.225  -9.225
   46    HE2  PHE   5          1HE       PHE   5   6.543  -5.301  -5.301
   47    HZ   PHE   5           HZ       PHE   5   6.533  -7.013  -7.013
   48    H    SER   6           H        SER   6   8.404  -6.880  -6.880
   49    HA   SER   6           HA       SER   6   5.523  -6.877  -6.877
   50   1HB   SER   6          1HB       SER   6   5.876  -5.218  -5.218
   51   2HB   SER   6          2HB       SER   6   6.536  -4.716  -4.716
   52    HG   SER   6           HG       SER   6   8.135  -6.149  -6.149
   53    H    ARG   7           H        ARG   7   4.093  -7.178  -7.178
   54    HA   ARG   7           HA       ARG   7   4.966  -9.351  -9.351
   55   1HB   ARG   7          1HB       ARG   7   2.640  -9.914  -9.914
   56   2HB   ARG   7          2HB       ARG   7   3.123 -10.003 -10.003
   57   1HG   ARG   7          1HG       ARG   7   1.965  -7.852  -7.852
   58   2HG   ARG   7          2HG       ARG   7   1.472  -7.771  -7.771
   59   1HD   ARG   7          1HD       ARG   7   0.226  -9.936  -9.936
   60   2HD   ARG   7          2HD       ARG   7   0.779  -9.998  -9.998
   61    HE   ARG   7           HE       ARG   7  -0.908  -8.680  -8.680
   62   1HH1  ARG   7          2HH2      ARG   7  -0.645  -8.126  -8.126
   63   2HH1  ARG   7          1HH2      ARG   7  -2.117  -7.174  -7.174
   64   1HH2  ARG   7          2HH1      ARG   7  -2.996  -7.886  -7.886
   65   2HH2  ARG   7          1HH1      ARG   7  -3.526  -7.205  -7.205
   66    H    MET   8           H        MET   8   5.105  -8.779  -8.779
   67    HA   MET   8           HA       MET   8   4.447  -6.037  -6.037
   68   1HB   MET   8          1HB       MET   8   5.086  -6.663  -6.663
   69   2HB   MET   8          2HB       MET   8   6.322  -7.092  -7.092
   70   1HG   MET   8          1HG       MET   8   5.708  -9.443  -9.443
   71   2HG   MET   8          2HG       MET   8   4.314  -9.067  -9.067
   72   1HE   MET   8          1HE       MET   8   8.181  -8.787  -8.787
   73   2HE   MET   8          2HE       MET   8   8.630  -8.573  -8.573
   74   3HE   MET   8          3HE       MET   8   7.781  -7.274  -7.274
   75    HA   PRO   9           HA       PRO   9   0.198  -7.026  -7.026
   76   1HB   PRO   9          1HB       PRO   9  -0.597  -4.850  -4.850
   77   2HB   PRO   9          2HB       PRO   9  -0.330  -4.819  -4.819
   78   1HG   PRO   9          1HG       PRO   9   1.558  -3.888  -3.888
   79   2HG   PRO   9          2HG       PRO   9   1.177  -3.099  -3.099
   80   1HD   PRO   9          1HD       PRO   9   3.420  -4.642  -4.642
   81   2HD   PRO   9          2HD       PRO   9   2.586  -4.539  -4.539
   82    H    ILE  10           H        ILE  10  -1.128  -7.731  -7.731
   83    HA   ILE  10           HA       ILE  10   0.281  -8.473  -8.473
   84    HB   ILE  10           HB       ILE  10  -2.555  -9.108  -9.108
   85   1HG1  ILE  10          1HG1      ILE  10   0.029 -10.708 -10.708
   86   2HG1  ILE  10          2HG1      ILE  10  -0.984 -10.146 -10.146
   87   1HG2  ILE  10          3HG2      ILE  10  -2.082  -9.106  -9.106
   88   2HG2  ILE  10          1HG2      ILE  10  -0.777 -10.274 -10.274
   89   3HG2  ILE  10          2HG2      ILE  10  -2.471 -10.701 -10.701
   90   1HD1  ILE  10          2HD1      ILE  10  -2.859 -11.570 -11.570
   91   2HD1  ILE  10          3HD1      ILE  10  -1.682 -12.273 -12.273
   92   3HD1  ILE  10          1HD1      ILE  10  -1.448 -12.462 -12.462
   93    H    CYS  11           H        CYS  11   0.631  -6.212  -6.212
   94    HA   CYS  11           HA       CYS  11  -1.800  -4.861  -4.861
   95   1HB   CYS  11          1HB       CYS  11   0.403  -3.776  -3.776
   96   2HB   CYS  11          2HB       CYS  11  -0.334  -2.729  -2.729
   97    H    GLU  12           H        GLU  12  -1.602  -4.763  -4.763
   98    HA   GLU  12           HA       GLU  12   0.816  -3.729  -3.729
   99   1HB   GLU  12          1HB       GLU  12   1.299  -6.187  -6.187
  100   2HB   GLU  12          2HB       GLU  12  -0.211  -6.487  -6.487
  101   1HG   GLU  12          1HG       GLU  12   1.844  -6.519  -6.519
  102   2HG   GLU  12          2HG       GLU  12   0.659  -5.319  -5.319
  103    H    HIS  13           H        HIS  13   0.427  -2.866  -2.866
  104    HA   HIS  13           HA       HIS  13  -1.017  -1.097  -1.097
  105   1HB   HIS  13          1HB       HIS  13  -0.845  -3.462  -3.462
  106   2HB   HIS  13          2HB       HIS  13  -1.873  -2.121  -2.121
  107    HD1  HIS  13           HD1      HIS  13   1.798  -2.415  -2.415
  108    HD2  HIS  13           HD2      HIS  13  -0.848  -0.032  -0.032
  109    HE1  HIS  13           HE1      HIS  13   3.174  -0.452  -0.452
  110    HE2  HIS  13           HE2      HIS  13   1.527   1.001   1.001
  111    H    MET  14           H        MET  14  -3.232  -3.616  -3.616
  112    HA   MET  14           HA       MET  14  -5.451  -1.798  -1.798
  113   1HB   MET  14          1HB       MET  14  -5.316  -4.074  -4.074
  114   2HB   MET  14          2HB       MET  14  -6.724  -3.066  -3.066
  115   1HG   MET  14          1HG       MET  14  -5.296  -1.033  -1.033
  116   2HG   MET  14          2HG       MET  14  -4.063  -2.148  -2.148
  117   1HE   MET  14          2HE       MET  14  -5.922  -4.372  -4.372
  118   2HE   MET  14          3HE       MET  14  -5.929  -3.714  -3.714
  119   3HE   MET  14          1HE       MET  14  -4.422  -3.718  -3.718
  120    H    THR  15           H        THR  15  -4.004  -3.434  -3.434
  121    HA   THR  15           HA       THR  15  -6.262  -4.543  -4.543
  122    HB   THR  15           HB       THR  15  -4.123  -6.558  -6.558
  123    HG1  THR  15           HG1      THR  15  -5.496  -6.314  -6.314
  124   1HG2  THR  15          3HG2      THR  15  -7.091  -6.678  -6.678
  125   2HG2  THR  15          1HG2      THR  15  -6.028  -8.076  -8.076
  126   3HG2  THR  15          2HG2      THR  15  -6.362  -6.922  -6.922
  127    H    GLU  16           H        GLU  16  -4.258  -2.288  -2.288
  128    HA   GLU  16           HA       GLU  16  -2.697  -2.955  -2.955
  129   1HB   GLU  16          1HB       GLU  16  -3.392  -0.317  -0.317
  130   2HB   GLU  16          2HB       GLU  16  -2.392  -0.497  -0.497
  131   1HG   GLU  16          1HG       GLU  16  -0.903  -2.101  -2.101
  132   2HG   GLU  16          2HG       GLU  16  -1.838  -1.678  -1.678
  133    H    SER  17           H        SER  17  -4.628  -4.073  -4.073
  134    HA   SER  17           HA       SER  17  -6.521  -4.240  -4.240
  135   1HB   SER  17          1HB       SER  17  -6.217  -2.927  -2.927
  136   2HB   SER  17          2HB       SER  17  -4.886  -4.008  -4.008
  137    HG   SER  17           HG       SER  17  -4.975  -1.252  -1.252
  138    HA   PRO  18           HA       PRO  18  -8.747  -0.397  -0.397
  139   1HB   PRO  18          1HB       PRO  18 -10.625  -1.494  -1.494
  140   2HB   PRO  18          2HB       PRO  18  -8.968  -1.089  -1.089
  141   1HG   PRO  18          1HG       PRO  18  -9.974  -3.800  -3.800
  142   2HG   PRO  18          2HG       PRO  18  -9.089  -3.419  -3.419
  143   1HD   PRO  18          1HD       PRO  18  -7.753  -4.334  -4.334
  144   2HD   PRO  18          2HD       PRO  18  -7.072  -3.012  -3.012
  145    H    ASP  19           H        ASP  19  -8.903  -1.535  -1.535
  146    HA   ASP  19           HA       ASP  19 -11.747  -2.185  -2.185
  147   1HB   ASP  19          1HB       ASP  19 -10.975  -2.822  -2.822
  148   2HB   ASP  19          2HB       ASP  19 -10.128  -3.739  -3.739
  149    H    CYS  20           H        CYS  20 -10.736   0.383   0.383
  150    HA   CYS  20           HA       CYS  20 -11.341   2.182   2.182
  151   1HB   CYS  20          1HB       CYS  20 -10.751   2.625   2.625
  152   2HB   CYS  20          2HB       CYS  20 -11.674   3.811   3.811
  153    H    SER  21           H        SER  21 -13.225   0.783   0.783
  154    HA   SER  21           HA       SER  21 -15.630   1.833   1.833
  155   1HB   SER  21          1HB       SER  21 -15.331  -1.069  -1.069
  156   2HB   SER  21          2HB       SER  21 -16.632  -0.358  -0.358
  157    HG   SER  21           HG       SER  21 -15.356  -0.428  -0.428
  158    H    ARG  22           H        ARG  22 -14.332   2.784   2.784
  159    HA   ARG  22           HA       ARG  22 -14.254   3.042   3.042
  160   1HB   ARG  22          1HB       ARG  22 -17.187   3.086   3.086
  161   2HB   ARG  22          2HB       ARG  22 -16.439   3.720   3.720
  162   1HG   ARG  22          1HG       ARG  22 -14.927   5.099   5.099
  163   2HG   ARG  22          2HG       ARG  22 -16.001   4.633   4.633
  164   1HD   ARG  22          1HD       ARG  22 -16.434   6.891   6.891
  165   2HD   ARG  22          2HD       ARG  22 -17.852   5.875   5.875
  166    HE   ARG  22           HE       ARG  22 -16.026   6.815   6.815
  167   1HH1  ARG  22          2HH2      ARG  22 -18.738   4.757   4.757
  168   2HH1  ARG  22          1HH2      ARG  22 -19.422   4.614   4.614
  169   1HH2  ARG  22          2HH1      ARG  22 -16.896   6.714   6.714
  170   2HH2  ARG  22          1HH1      ARG  22 -18.309   5.772   5.772
  171    H    ILE  23           H        ILE  23 -13.855   0.430   0.430
  172    HA   ILE  23           HA       ILE  23 -15.145  -1.272  -1.272
  173    HB   ILE  23           HB       ILE  23 -12.730  -1.499  -1.499
  174   1HG1  ILE  23          1HG1      ILE  23 -15.375  -3.014  -3.014
  175   2HG1  ILE  23          2HG1      ILE  23 -15.151  -1.520  -1.520
  176   1HG2  ILE  23          1HG2      ILE  23 -13.876  -3.621  -3.621
  177   2HG2  ILE  23          2HG2      ILE  23 -12.638  -3.892  -3.892
  178   3HG2  ILE  23          3HG2      ILE  23 -12.269  -2.869  -2.869
  179   1HD1  ILE  23          1HD1      ILE  23 -13.323  -2.502  -2.502
  180   2HD1  ILE  23          2HD1      ILE  23 -13.557  -4.060  -4.060
  181   3HD1  ILE  23          3HD1      ILE  23 -14.846  -3.391  -3.391
  182    H    TYR  24           H        TYR  24 -14.209  -1.743  -1.743
  183    HA   TYR  24           HA       TYR  24 -11.778  -0.209  -0.209
  184   1HB   TYR  24          1HB       TYR  24 -13.876   0.641   0.641
  185   2HB   TYR  24          2HB       TYR  24 -14.135  -0.950  -0.950
  186    HD1  TYR  24           HD1      TYR  24 -11.875   2.014   2.014
  187    HD2  TYR  24           HD2      TYR  24 -12.843  -1.645  -1.645
  188    HE1  TYR  24           HE1      TYR  24 -10.346   2.647   2.647
  189    HE2  TYR  24           HE2      TYR  24 -11.338  -0.996  -0.996
  190    HH   TYR  24           HH       TYR  24  -9.799   0.566   0.566
  191    H    ASP  25           H        ASP  25 -10.341  -1.825  -1.825
  192    HA   ASP  25           HA       ASP  25 -10.406  -4.155  -4.155
  193   1HB   ASP  25          1HB       ASP  25 -11.307  -5.024  -5.024
  194   2HB   ASP  25          2HB       ASP  25  -9.856  -4.461  -4.461
  195    HA   PRO  26           HA       PRO  26  -7.122  -1.095  -1.095
  196   1HB   PRO  26          1HB       PRO  26  -6.195  -0.861  -0.861
  197   2HB   PRO  26          2HB       PRO  26  -7.582   0.004   0.004
  198   1HG   PRO  26          1HG       PRO  26  -7.634  -2.559  -2.559
  199   2HG   PRO  26          2HG       PRO  26  -8.686  -1.136  -1.136
  200   1HD   PRO  26          1HD       PRO  26  -9.478  -3.344  -3.344
  201   2HD   PRO  26          2HD       PRO  26  -9.881  -1.725  -1.725
  202    H    VAL  27           H        VAL  27  -4.818  -0.898  -0.898
  203    HA   VAL  27           HA       VAL  27  -3.197  -3.195  -3.195
  204    HB   VAL  27           HB       VAL  27  -1.978  -3.198  -3.198
  205   1HG1  VAL  27          2HG1      VAL  27  -3.649  -4.952  -4.952
  206   2HG1  VAL  27          3HG1      VAL  27  -4.910  -3.935  -3.935
  207   3HG1  VAL  27          1HG1      VAL  27  -3.587  -4.549  -4.549
  208   1HG2  VAL  27          1HG2      VAL  27  -2.679  -0.989  -0.989
  209   2HG2  VAL  27          2HG2      VAL  27  -3.028  -2.296  -2.296
  210   3HG2  VAL  27          3HG2      VAL  27  -4.344  -1.588  -1.588
  211    H    CYS  28           H        CYS  28  -1.052  -2.605  -2.605
  212    HA   CYS  28           HA       CYS  28  -0.516   0.323   0.323
  213   1HB   CYS  28          1HB       CYS  28  -0.135  -1.052  -1.052
  214   2HB   CYS  28          2HB       CYS  28   0.915  -2.129  -2.129
  215    H    GLY  29           H        GLY  29   0.598   1.261   1.261
  216   1HA   GLY  29          1HA       GLY  29   2.293  -0.395  -0.395
  217   2HA   GLY  29          2HA       GLY  29   1.953   1.325   1.325
  218    H    THR  30           H        THR  30   4.554  -0.152  -0.152
  219    HA   THR  30           HA       THR  30   6.087   0.315   0.315
  220    HB   THR  30           HB       THR  30   7.940   0.506   0.506
  221    HG1  THR  30           HG1      THR  30   5.772  -0.820  -0.820
  222   1HG2  THR  30          2HG2      THR  30   6.355  -2.036  -2.036
  223   2HG2  THR  30          3HG2      THR  30   7.946  -1.941  -1.941
  224   3HG2  THR  30          1HG2      THR  30   7.763  -1.430  -1.430
  225    H    ASP  31           H        ASP  31   4.747   2.697   2.697
  226    HA   ASP  31           HA       ASP  31   6.842   4.687   4.687
  227   1HB   ASP  31          1HB       ASP  31   5.439   6.106   6.106
  228   2HB   ASP  31          2HB       ASP  31   5.312   4.542   4.542
  229    H    GLY  32           H        GLY  32   4.242   3.340   3.340
  230   1HA   GLY  32          1HA       GLY  32   3.903   3.730   3.730
  231   2HA   GLY  32          2HA       GLY  32   4.713   5.300   5.300
  232    H    VAL  33           H        VAL  33   2.083   3.979   3.979
  233    HA   VAL  33           HA       VAL  33   0.135   5.754   5.754
  234    HB   VAL  33           HB       VAL  33   0.672   5.529   5.529
  235   1HG1  VAL  33          3HG1      VAL  33  -1.818   6.658   6.658
  236   2HG1  VAL  33          1HG1      VAL  33  -1.396   6.893   6.893
  237   3HG1  VAL  33          2HG1      VAL  33  -1.763   5.273   5.273
  238   1HG2  VAL  33          1HG2      VAL  33   1.891   7.324   7.324
  239   2HG2  VAL  33          2HG2      VAL  33   0.682   8.018   8.018
  240   3HG2  VAL  33          3HG2      VAL  33   0.344   7.916   7.916
  241    H    THR  34           H        THR  34  -1.745   4.768   4.768
  242    HA   THR  34           HA       THR  34  -2.086   1.931   1.931
  243    HB   THR  34           HB       THR  34  -3.581   3.752   3.752
  244    HG1  THR  34           HG1      THR  34  -1.656   1.686   1.686
  245   1HG2  THR  34          3HG2      THR  34  -4.043   0.823   0.823
  246   2HG2  THR  34          1HG2      THR  34  -4.769   1.664   1.664
  247   3HG2  THR  34          2HG2      THR  34  -5.165   2.171   2.171
  248    H    TYR  35           H        TYR  35  -3.174   1.554   1.554
  249    HA   TYR  35           HA       TYR  35  -4.855   3.706   3.706
  250   1HB   TYR  35          1HB       TYR  35  -3.687   1.211   1.211
  251   2HB   TYR  35          2HB       TYR  35  -4.645   2.442   2.442
  252    HD1  TYR  35           HD2      TYR  35  -1.386   1.731   1.731
  253    HD2  TYR  35           HD1      TYR  35  -3.683   4.699   4.699
  254    HE1  TYR  35           HE2      TYR  35   0.671   3.029   3.029
  255    HE2  TYR  35           HE1      TYR  35  -1.597   5.943   5.943
  256    HH   TYR  35           HH       TYR  35   1.588   4.770   4.770
  257    H    GLU  36           H        GLU  36  -7.002   3.402   3.402
  258    HA   GLU  36           HA       GLU  36  -8.294   1.499   1.499
  259   1HB   GLU  36          1HB       GLU  36  -9.363   3.037   3.037
  260   2HB   GLU  36          2HB       GLU  36 -10.359   2.333   2.333
  261   1HG   GLU  36          1HG       GLU  36  -9.624   3.867   3.867
  262   2HG   GLU  36          2HG       GLU  36  -8.228   4.402   4.402
  263    H    SER  37           H        SER  37  -7.366   1.309   1.309
  264    HA   SER  37           HA       SER  37  -7.816  -1.513  -1.513
  265   1HB   SER  37          1HB       SER  37  -9.326  -1.592  -1.592
  266   2HB   SER  37          2HB       SER  37 -10.097  -0.737  -0.737
  267    HG   SER  37           HG       SER  37  -9.350   0.096   0.096
  268    H    GLU  38           H        GLU  38  -6.720  -2.422  -2.422
  269    HA   GLU  38           HA       GLU  38  -4.189  -1.247  -1.247
  270   1HB   GLU  38          1HB       GLU  38  -5.550  -3.278  -3.278
  271   2HB   GLU  38          2HB       GLU  38  -3.852  -2.814  -2.814
  272   1HG   GLU  38          1HG       GLU  38  -3.483  -3.553  -3.553
  273   2HG   GLU  38          2HG       GLU  38  -5.153  -4.142  -4.142
  274    H    CYS  39           H        CYS  39  -7.084  -0.600  -0.600
  275    HA   CYS  39           HA       CYS  39  -5.996   0.376   0.376
  276   1HB   CYS  39          1HB       CYS  39  -8.430   0.468   0.468
  277   2HB   CYS  39          2HB       CYS  39  -8.183   1.664   1.664
  278    H    LYS  40           H        LYS  40  -6.220   2.157   2.157
  279    HA   LYS  40           HA       LYS  40  -5.046   4.537   4.537
  280   1HB   LYS  40          1HB       LYS  40  -5.736   4.033   4.033
  281   2HB   LYS  40          2HB       LYS  40  -5.127   5.546   5.546
  282   1HG   LYS  40          1HG       LYS  40  -7.308   6.086   6.086
  283   2HG   LYS  40          2HG       LYS  40  -7.169   5.141   5.141
  284   1HD   LYS  40          1HD       LYS  40  -9.109   4.273   4.273
  285   2HD   LYS  40          2HD       LYS  40  -7.921   3.082   3.082
  286   1HE   LYS  40          1HE       LYS  40  -9.441   3.624   3.624
  287   2HE   LYS  40          2HE       LYS  40  -7.791   4.075   4.075
  288   1HZ   LYS  40          2HZ       LYS  40  -9.707   6.027   6.027
  289   2HZ   LYS  40          3HZ       LYS  40  -9.629   5.700   5.700
  290   3HZ   LYS  40          1HZ       LYS  40  -8.343   6.340   6.340
  291    H    LEU  41           H        LEU  41  -3.835   1.753   1.753
  292    HA   LEU  41           HA       LEU  41  -1.215   2.839   2.839
  293   1HB   LEU  41          1HB       LEU  41  -2.144   0.836   0.836
  294   2HB   LEU  41          2HB       LEU  41  -2.116  -0.053  -0.053
  295    HG   LEU  41           HG       LEU  41   0.458   1.179   1.179
  296   1HD1  LEU  41          2HD1      LEU  41  -0.822  -1.391  -1.391
  297   2HD1  LEU  41          3HD1      LEU  41   0.873  -0.925  -0.925
  298   3HD1  LEU  41          1HD1      LEU  41  -0.445   0.032   0.032
  299   1HD2  LEU  41          3HD2      LEU  41  -0.262  -1.400  -1.400
  300   2HD2  LEU  41          1HD2      LEU  41   0.492   0.034   0.034
  301   3HD2  LEU  41          2HD2      LEU  41   1.376  -0.924  -0.924
  302    H    CYS  42           H        CYS  42  -2.549   0.787   0.787
  303    HA   CYS  42           HA       CYS  42  -0.072   0.918   0.918
  304   1HB   CYS  42          1HB       CYS  42  -2.775  -0.070  -0.070
  305   2HB   CYS  42          2HB       CYS  42  -1.284  -0.136  -0.136
  306    H    LEU  43           H        LEU  43  -3.029   2.884   2.884
  307    HA   LEU  43           HA       LEU  43  -2.186   4.583   4.583
  308   1HB   LEU  43          1HB       LEU  43  -3.687   5.058   5.058
  309   2HB   LEU  43          2HB       LEU  43  -3.392   6.373   6.373
  310    HG   LEU  43           HG       LEU  43  -4.882   3.861   3.861
  311   1HD1  LEU  43          1HD1      LEU  43  -5.950   6.556   6.556
  312   2HD1  LEU  43          2HD1      LEU  43  -6.926   5.328   5.328
  313   3HD1  LEU  43          3HD1      LEU  43  -6.243   4.988   4.988
  314   1HD2  LEU  43          2HD2      LEU  43  -4.688   6.644   6.644
  315   2HD2  LEU  43          3HD2      LEU  43  -3.882   5.185   5.185
  316   3HD2  LEU  43          1HD2      LEU  43  -5.638   5.276   5.276
  317    H    ALA  44           H        ALA  44  -1.346   4.649   4.649
  318    HA   ALA  44           HA       ALA  44   0.392   6.892   6.892
  319   1HB   ALA  44          1HB       ALA  44  -0.444   6.238   6.238
  320   2HB   ALA  44          1HB       ALA  44   0.463   4.718   4.718
  321   3HB   ALA  44          2HB       ALA  44   1.325   6.261   6.261
  322    H    ARG  45           H        ARG  45   0.962   3.389   3.389
  323    HA   ARG  45           HA       ARG  45   3.777   3.606   3.606
  324   1HB   ARG  45          1HB       ARG  45   1.871   1.701   1.701
  325   2HB   ARG  45          2HB       ARG  45   3.626   1.631   1.631
  326   1HG   ARG  45          1HG       ARG  45   3.707   1.244   1.244
  327   2HG   ARG  45          2HG       ARG  45   1.987   1.522   1.522
  328   1HD   ARG  45          1HD       ARG  45   2.393  -0.881  -0.881
  329   2HD   ARG  45          2HD       ARG  45   1.465  -0.471  -0.471
  330    HE   ARG  45           HE       ARG  45   3.154  -0.796  -0.796
  331   1HH1  ARG  45          2HH2      ARG  45   4.153  -1.762  -1.762
  332   2HH1  ARG  45          1HH2      ARG  45   5.469  -2.742  -2.742
  333   1HH2  ARG  45          2HH1      ARG  45   4.505  -2.543  -2.543
  334   2HH2  ARG  45          1HH1      ARG  45   5.818  -2.995  -2.995
  335    H    ILE  46           H        ILE  46   1.022   4.398   4.398
  336    HA   ILE  46           HA       ILE  46   2.821   4.945   4.945
  337    HB   ILE  46           HB       ILE  46   0.082   6.176   6.176
  338   1HG1  ILE  46          1HG1      ILE  46   0.514   3.679   3.679
  339   2HG1  ILE  46          2HG1      ILE  46   0.005   3.611   3.611
  340   1HG2  ILE  46          3HG2      ILE  46   1.503   7.202   7.202
  341   2HG2  ILE  46          1HG2      ILE  46   1.547   5.623   5.623
  342   3HG2  ILE  46          2HG2      ILE  46   0.014   6.496   6.496
  343   1HD1  ILE  46          3HD1      ILE  46  -1.887   5.207   5.207
  344   2HD1  ILE  46          1HD1      ILE  46  -1.508   4.791   4.791
  345   3HD1  ILE  46          2HD1      ILE  46  -1.998   3.533   3.533
  346    H    GLU  47           H        GLU  47   1.086   7.016   7.016
  347    HA   GLU  47           HA       GLU  47   2.027   9.494   9.494
  348   1HB   GLU  47          1HB       GLU  47   1.632   8.413   8.413
  349   2HB   GLU  47          2HB       GLU  47   1.670  10.109  10.109
  350   1HG   GLU  47          1HG       GLU  47  -0.415   8.344   8.344
  351   2HG   GLU  47          2HG       GLU  47  -0.624   8.894   8.894
  352    H    ASN  48           H        ASN  48   3.576   7.153   7.153
  353    HA   ASN  48           HA       ASN  48   5.833   8.917   8.917
  354   1HB   ASN  48          1HB       ASN  48   5.115   6.123   6.123
  355   2HB   ASN  48          2HB       ASN  48   6.530   7.030   7.030
  356   1HD2  ASN  48          2HD2      ASN  48   3.265   9.072   9.072
  357   2HD2  ASN  48          1HD2      ASN  48   3.548   8.901   8.901
  358    H    LYS  49           H        LYS  49   5.173   6.183   6.183
  359    HA   LYS  49           HA       LYS  49   6.466   4.594   4.594
  360   1HB   LYS  49          1HB       LYS  49   8.335   6.930   6.930
  361   2HB   LYS  49          2HB       LYS  49   8.442   5.328   5.328
  362   1HG   LYS  49          1HG       LYS  49   6.119   5.587   5.587
  363   2HG   LYS  49          2HG       LYS  49   6.119   7.266   7.266
  364   1HD   LYS  49          1HD       LYS  49   7.969   7.857   7.857
  365   2HD   LYS  49          2HD       LYS  49   8.339   6.195   6.195
  366   1HE   LYS  49          1HE       LYS  49   5.697   7.547   7.547
  367   2HE   LYS  49          2HE       LYS  49   7.152   7.578   7.578
  368   1HZ   LYS  49          1HZ       LYS  49   7.166   5.198   5.198
  369   2HZ   LYS  49          2HZ       LYS  49   5.754   5.091   5.091
  370   3HZ   LYS  49          3HZ       LYS  49   5.815   5.830   5.830
  371    H    GLN  50           H        GLN  50   6.650   4.584   4.584
  372    HA   GLN  50           HA       GLN  50   9.334   3.315   3.315
  373   1HB   GLN  50          1HB       GLN  50   7.791   4.513   4.513
  374   2HB   GLN  50          2HB       GLN  50   9.362   3.718   3.718
  375   1HG   GLN  50          1HG       GLN  50   8.653   6.483   6.483
  376   2HG   GLN  50          2HG       GLN  50   9.896   5.978   5.978
  377   1HE2  GLN  50          2HE2      GLN  50  10.915   6.845   6.845
  378   2HE2  GLN  50          1HE2      GLN  50   9.500   7.365   7.365
  379    H    ASP  51           H        ASP  51   9.201   1.244   1.244
  380    HA   ASP  51           HA       ASP  51   6.683  -0.049  -0.049
  381   1HB   ASP  51          1HB       ASP  51   8.972  -1.040  -1.040
  382   2HB   ASP  51          2HB       ASP  51   9.168  -1.334  -1.334
  383    H    ILE  52           H        ILE  52   5.371   1.004   1.004
  384    HA   ILE  52           HA       ILE  52   5.920   0.718   0.718
  385    HB   ILE  52           HB       ILE  52   3.183   1.102   1.102
  386   1HG1  ILE  52          1HG1      ILE  52   5.205   3.185   3.185
  387   2HG1  ILE  52          2HG1      ILE  52   4.841   2.856   2.856
  388   1HG2  ILE  52          3HG2      ILE  52   3.165   0.364   0.364
  389   2HG2  ILE  52          1HG2      ILE  52   4.233   1.720   1.720
  390   3HG2  ILE  52          2HG2      ILE  52   2.588   2.015   2.015
  391   1HD1  ILE  52          3HD1      ILE  52   2.448   3.443   3.443
  392   2HD1  ILE  52          1HD1      ILE  52   2.934   4.029   4.029
  393   3HD1  ILE  52          2HD1      ILE  52   3.604   4.782   4.782
  394    H    GLN  53           H        GLN  53   6.134  -1.171  -1.171
  395    HA   GLN  53           HA       GLN  53   4.665  -3.582  -3.582
  396   1HB   GLN  53          1HB       GLN  53   7.256  -3.229  -3.229
  397   2HB   GLN  53          2HB       GLN  53   6.720  -3.613  -3.613
  398   1HG   GLN  53          1HG       GLN  53   6.034  -5.864  -5.864
  399   2HG   GLN  53          2HG       GLN  53   6.082  -5.333  -5.333
  400   1HE2  GLN  53          2HE2      GLN  53   9.223  -7.304  -7.304
  401   2HE2  GLN  53          1HE2      GLN  53   7.618  -7.573  -7.573
  402    H    ILE  54           H        ILE  54   3.480  -4.740  -4.740
  403    HA   ILE  54           HA       ILE  54   2.150  -2.931  -2.931
  404    HB   ILE  54           HB       ILE  54   1.480  -5.643  -5.643
  405   1HG1  ILE  54          1HG1      ILE  54  -0.088  -3.045  -3.045
  406   2HG1  ILE  54          2HG1      ILE  54   1.073  -3.407  -3.407
  407   1HG2  ILE  54          2HG2      ILE  54   0.149  -4.143  -4.143
  408   2HG2  ILE  54          3HG2      ILE  54  -0.618  -5.485  -5.485
  409   3HG2  ILE  54          1HG2      ILE  54   0.849  -5.777  -5.777
  410   1HD1  ILE  54          3HD1      ILE  54  -0.182  -5.456  -5.456
  411   2HD1  ILE  54          1HD1      ILE  54  -1.432  -5.001  -5.001
  412   3HD1  ILE  54          2HD1      ILE  54  -1.115  -3.962  -3.962
  413    H    VAL  55           H        VAL  55   2.949  -2.882  -2.882
  414    HA   VAL  55           HA       VAL  55   5.045  -4.723  -4.723
  415    HB   VAL  55           HB       VAL  55   3.547  -2.623  -2.623
  416   1HG1  VAL  55          2HG1      VAL  55   6.184  -4.115  -4.115
  417   2HG1  VAL  55          3HG1      VAL  55   5.815  -2.669  -2.669
  418   3HG1  VAL  55          1HG1      VAL  55   4.806  -4.114  -4.114
  419   1HG2  VAL  55          2HG2      VAL  55   4.624  -1.613  -1.613
  420   2HG2  VAL  55          3HG2      VAL  55   5.417  -1.132  -1.132
  421   3HG2  VAL  55          1HG2      VAL  55   6.156  -2.385  -2.385
  422    H    LYS  56           H        LYS  56   1.589  -4.255  -4.255
  423    HA   LYS  56           HA       LYS  56   1.233  -6.982  -6.982
  424   1HB   LYS  56          1HB       LYS  56   0.396  -7.228  -7.228
  425   2HB   LYS  56          2HB       LYS  56   2.107  -6.829  -6.829
  426   1HG   LYS  56          1HG       LYS  56  -0.044  -4.707  -4.707
  427   2HG   LYS  56          2HG       LYS  56   0.492  -5.805  -5.805
  428   1HD   LYS  56          1HD       LYS  56   2.836  -5.000  -5.000
  429   2HD   LYS  56          2HD       LYS  56   2.250  -3.782  -3.782
  430   1HE   LYS  56          1HE       LYS  56   0.782  -2.797  -2.797
  431   2HE   LYS  56          2HE       LYS  56   1.135  -4.059  -4.059
  432   1HZ   LYS  56          2HZ       LYS  56   3.118  -2.144  -2.144
  433   2HZ   LYS  56          3HZ       LYS  56   2.309  -2.021  -2.021
  434   3HZ   LYS  56          1HZ       LYS  56   3.336  -3.283  -3.283
  435    H    ASP  57           H        ASP  57  -1.034  -7.520  -7.520
  436    HA   ASP  57           HA       ASP  57  -2.953  -5.742  -5.742
  437   1HB   ASP  57          1HB       ASP  57  -3.278  -8.263  -8.263
  438   2HB   ASP  57          2HB       ASP  57  -4.605  -7.349  -7.349
  439    H    GLY  58           H        GLY  58  -4.553  -4.573  -4.573
  440   1HA   GLY  58          1HA       GLY  58  -5.556  -3.230  -3.230
  441   2HA   GLY  58          2HA       GLY  58  -4.924  -4.156  -4.156
  442    H    GLU  59           H        GLU  59  -4.661  -1.996  -1.996
  443    HA   GLU  59           HA       GLU  59  -3.235   0.008   0.008
  444   1HB   GLU  59          1HB       GLU  59  -3.602   0.124   0.124
  445   2HB   GLU  59          2HB       GLU  59  -3.758   1.403   1.403
  446   1HG   GLU  59          1HG       GLU  59  -6.000   1.077   1.077
  447   2HG   GLU  59          2HG       GLU  59  -5.865  -0.143  -0.143
  448    H    CYS  60           H        CYS  60  -1.373   1.209   1.209
  449    HA   CYS  60           HA       CYS  60   0.894  -0.578  -0.578
  450   1HB   CYS  60          1HB       CYS  60   0.701   2.419   2.419
  451   2HB   CYS  60          2HB       CYS  60   2.205   1.503   1.503

  Start of MODEL   14
    1   1H    GLU   1          1HN       GLU   1  11.860 -11.829 -11.829
    2   2H    GLU   1          2HN       GLU   1  12.413 -13.222 -13.222
    3   3H    GLU   1          3HN       GLU   1  12.837 -11.828 -11.828
    4    HA   GLU   1           HA       GLU   1  11.167 -12.720 -12.720
    5   1HB   GLU   1          1HB       GLU   1   8.888 -12.342 -12.342
    6   2HB   GLU   1          2HB       GLU   1   9.324 -13.722 -13.722
    7   1HG   GLU   1          1HG       GLU   1   9.139 -14.511 -14.511
    8   2HG   GLU   1          2HG       GLU   1  10.880 -14.426 -14.426
    9    H    LYS   2           H        LYS   2  10.471 -10.512 -10.512
   10    HA   LYS   2           HA       LYS   2   9.196  -8.441  -8.441
   11   1HB   LYS   2          1HB       LYS   2  10.862  -8.461  -8.461
   12   2HB   LYS   2          2HB       LYS   2   9.909  -7.058  -7.058
   13   1HG   LYS   2          1HG       LYS   2   7.842  -8.319  -8.319
   14   2HG   LYS   2          2HG       LYS   2   8.684  -9.824  -9.824
   15   1HD   LYS   2          1HD       LYS   2   9.616  -7.999  -7.999
   16   2HD   LYS   2          2HD       LYS   2   7.894  -7.667  -7.667
   17   1HE   LYS   2          1HE       LYS   2   8.180  -9.383  -9.383
   18   2HE   LYS   2          2HE       LYS   2   7.407 -10.101 -10.101
   19   1HZ   LYS   2          1HZ       LYS   2   9.717 -10.940 -10.940
   20   2HZ   LYS   2          2HZ       LYS   2  10.222 -10.400 -10.400
   21   3HZ   LYS   2          3HZ       LYS   2   9.032 -11.519 -11.519
   22    H    GLN   3           H        GLN   3  10.167  -6.204  -6.204
   23    HA   GLN   3           HA       GLN   3  11.391  -4.778  -4.778
   24   1HB   GLN   3          1HB       GLN   3  13.476  -4.548  -4.548
   25   2HB   GLN   3          2HB       GLN   3  13.300  -6.004  -6.004
   26   1HG   GLN   3          1HG       GLN   3  14.283  -7.305  -7.305
   27   2HG   GLN   3          2HG       GLN   3  14.505  -5.774  -5.774
   28   1HE2  GLN   3          2HE2      GLN   3  17.568  -6.759  -6.759
   29   2HE2  GLN   3          1HE2      GLN   3  16.673  -7.609  -7.609
   30    H    VAL   4           H        VAL   4  12.223  -8.061  -8.061
   31    HA   VAL   4           HA       VAL   4  12.014  -7.037  -7.037
   32    HB   VAL   4           HB       VAL   4  14.179  -7.683  -7.683
   33   1HG1  VAL   4          2HG1      VAL   4  13.672  -9.419  -9.419
   34   2HG1  VAL   4          3HG1      VAL   4  13.203 -10.546 -10.546
   35   3HG1  VAL   4          1HG1      VAL   4  14.849  -9.966  -9.966
   36   1HG2  VAL   4          1HG2      VAL   4  13.495  -7.984  -7.984
   37   2HG2  VAL   4          2HG2      VAL   4  14.845  -8.990  -8.990
   38   3HG2  VAL   4          3HG2      VAL   4  13.243  -9.707  -9.707
   39    H    PHE   5           H        PHE   5   9.633  -7.284  -7.284
   40    HA   PHE   5           HA       PHE   5   8.876 -10.006 -10.006
   41   1HB   PHE   5          1HB       PHE   5   7.031 -10.181 -10.181
   42   2HB   PHE   5          2HB       PHE   5   8.577 -10.169 -10.169
   43    HD1  PHE   5          1HD       PHE   5   9.367  -7.907  -7.907
   44    HD2  PHE   5          1HD       PHE   5   5.316  -8.645  -8.645
   45    HE1  PHE   5          2HE       PHE   5   8.630  -5.753  -5.753
   46    HE2  PHE   5          1HE       PHE   5   4.553  -6.705  -6.705
   47    HZ   PHE   5           HZ       PHE   5   6.228  -5.164  -5.164
   48    H    SER   6           H        SER   6   9.104  -7.300  -7.300
   49    HA   SER   6           HA       SER   6   6.350  -6.438  -6.438
   50   1HB   SER   6          1HB       SER   6   7.379  -4.956  -4.956
   51   2HB   SER   6          2HB       SER   6   8.117  -4.835  -4.835
   52    HG   SER   6           HG       SER   6   9.115  -6.069  -6.069
   53    H    ARG   7           H        ARG   7   5.611  -6.291  -6.291
   54    HA   ARG   7           HA       ARG   7   6.338  -8.450  -8.450
   55   1HB   ARG   7          1HB       ARG   7   3.949  -9.442  -9.442
   56   2HB   ARG   7          2HB       ARG   7   5.089  -9.993  -9.993
   57   1HG   ARG   7          1HG       ARG   7   4.090  -8.704  -8.704
   58   2HG   ARG   7          2HG       ARG   7   3.132  -7.741  -7.741
   59   1HD   ARG   7          1HD       ARG   7   2.807 -10.759 -10.759
   60   2HD   ARG   7          2HD       ARG   7   1.964  -9.616  -9.616
   61    HE   ARG   7           HE       ARG   7   1.565  -8.966  -8.966
   62   1HH1  ARG   7          2HH2      ARG   7   0.549 -11.551 -11.551
   63   2HH1  ARG   7          1HH2      ARG   7  -1.160 -11.144 -11.144
   64   1HH2  ARG   7          2HH1      ARG   7  -0.664  -8.918  -8.918
   65   2HH2  ARG   7          1HH1      ARG   7  -1.842  -9.834  -9.834
   66    H    MET   8           H        MET   8   5.341  -8.171  -8.171
   67    HA   MET   8           HA       MET   8   4.748  -5.335  -5.335
   68   1HB   MET   8          1HB       MET   8   4.897  -7.625  -7.625
   69   2HB   MET   8          2HB       MET   8   4.606  -5.933  -5.933
   70   1HG   MET   8          1HG       MET   8   6.777  -5.276  -5.276
   71   2HG   MET   8          2HG       MET   8   7.141  -6.959  -6.959
   72   1HE   MET   8          2HE       MET   8   9.407  -6.623  -6.623
   73   2HE   MET   8          3HE       MET   8   9.421  -6.110  -6.110
   74   3HE   MET   8          1HE       MET   8   8.884  -4.975  -4.975
   75    HA   PRO   9           HA       PRO   9   0.225  -6.155  -6.155
   76   1HB   PRO   9          1HB       PRO   9  -0.487  -3.780  -3.780
   77   2HB   PRO   9          2HB       PRO   9  -0.152  -3.946  -3.946
   78   1HG   PRO   9          1HG       PRO   9   1.788  -2.996  -2.996
   79   2HG   PRO   9          2HG       PRO   9   1.390  -2.175  -2.175
   80   1HD   PRO   9          1HD       PRO   9   3.552  -3.747  -3.747
   81   2HD   PRO   9          2HD       PRO   9   2.551  -3.805  -3.805
   82    H    ILE  10           H        ILE  10  -0.800  -6.680  -6.680
   83    HA   ILE  10           HA       ILE  10   1.062  -6.924  -6.924
   84    HB   ILE  10           HB       ILE  10  -1.312  -8.704  -8.704
   85   1HG1  ILE  10          1HG1      ILE  10   1.512  -9.154  -9.154
   86   2HG1  ILE  10          2HG1      ILE  10   0.074  -8.846  -8.846
   87   1HG2  ILE  10          2HG2      ILE  10   0.090  -8.526  -8.526
   88   2HG2  ILE  10          3HG2      ILE  10   1.346  -9.371  -9.371
   89   3HG2  ILE  10          1HG2      ILE  10  -0.239 -10.133 -10.133
   90   1HD1  ILE  10          1HD1      ILE  10  -1.005 -10.889 -10.889
   91   2HD1  ILE  10          2HD1      ILE  10   0.503 -11.292 -11.292
   92   3HD1  ILE  10          3HD1      ILE  10   0.490 -11.187 -11.187
   93    H    CYS  11           H        CYS  11   0.457  -4.774  -4.774
   94    HA   CYS  11           HA       CYS  11  -2.257  -3.937  -3.937
   95   1HB   CYS  11          1HB       CYS  11   0.155  -2.761  -2.761
   96   2HB   CYS  11          2HB       CYS  11  -1.373  -1.943  -1.943
   97    H    GLU  12           H        GLU  12  -3.213  -3.000  -3.000
   98    HA   GLU  12           HA       GLU  12  -4.366  -3.388  -3.388
   99   1HB   GLU  12          1HB       GLU  12  -2.061  -5.061  -5.061
  100   2HB   GLU  12          2HB       GLU  12  -3.494  -4.572  -4.572
  101   1HG   GLU  12          1HG       GLU  12  -2.837  -2.170  -2.170
  102   2HG   GLU  12          2HG       GLU  12  -1.296  -2.771  -2.771
  103    H    HIS  13           H        HIS  13  -3.506  -6.186  -6.186
  104    HA   HIS  13           HA       HIS  13  -5.374  -7.902  -7.902
  105   1HB   HIS  13          1HB       HIS  13  -3.843  -8.387  -8.387
  106   2HB   HIS  13          2HB       HIS  13  -4.949  -9.523  -9.523
  107    HD1  HIS  13           HD1      HIS  13  -4.007 -10.980 -10.980
  108    HD2  HIS  13           HD2      HIS  13  -1.526  -7.832  -7.832
  109    HE1  HIS  13           HE1      HIS  13  -1.711 -11.328 -11.328
  110    HE2  HIS  13           HE2      HIS  13  -0.202  -9.406  -9.406
  111    H    MET  14           H        MET  14  -5.562  -6.043  -6.043
  112    HA   MET  14           HA       MET  14  -8.111  -7.264  -7.264
  113   1HB   MET  14          1HB       MET  14  -6.384  -5.056  -5.056
  114   2HB   MET  14          2HB       MET  14  -7.836  -5.725  -5.725
  115   1HG   MET  14          1HG       MET  14  -5.911  -6.583  -6.583
  116   2HG   MET  14          2HG       MET  14  -6.855  -7.883  -7.883
  117   1HE   MET  14          2HE       MET  14  -4.229  -8.381  -8.381
  118   2HE   MET  14          3HE       MET  14  -4.948  -9.646  -9.646
  119   3HE   MET  14          1HE       MET  14  -3.230  -9.248  -9.248
  120    H    THR  15           H        THR  15  -9.114  -4.636  -4.636
  121    HA   THR  15           HA       THR  15 -10.662  -3.614  -3.614
  122    HB   THR  15           HB       THR  15 -11.191  -1.943  -1.943
  123    HG1  THR  15           HG1      THR  15 -10.485  -2.586  -2.586
  124   1HG2  THR  15          2HG2      THR  15 -11.920  -4.909  -4.909
  125   2HG2  THR  15          3HG2      THR  15 -12.784  -3.600  -3.600
  126   3HG2  THR  15          1HG2      THR  15 -12.764  -3.654  -3.654
  127    H    GLU  16           H        GLU  16  -8.713  -3.223  -3.223
  128    HA   GLU  16           HA       GLU  16  -7.127  -0.784  -0.784
  129   1HB   GLU  16          1HB       GLU  16  -6.604  -3.279  -3.279
  130   2HB   GLU  16          2HB       GLU  16  -5.493  -1.924  -1.924
  131   1HG   GLU  16          1HG       GLU  16  -6.498  -3.402  -3.402
  132   2HG   GLU  16          2HG       GLU  16  -5.213  -4.090  -4.090
  133    H    SER  17           H        SER  17  -9.451   0.009   0.009
  134    HA   SER  17           HA       SER  17  -8.867   1.218   1.218
  135   1HB   SER  17          1HB       SER  17 -10.748  -0.183  -0.183
  136   2HB   SER  17          2HB       SER  17  -9.012  -0.468  -0.468
  137    HG   SER  17           HG       SER  17  -9.142  -2.164  -2.164
  138    HA   PRO  18           HA       PRO  18 -13.425   2.165   2.165
  139   1HB   PRO  18          1HB       PRO  18 -14.745   0.809   0.809
  140   2HB   PRO  18          2HB       PRO  18 -14.720   0.236   0.236
  141   1HG   PRO  18          1HG       PRO  18 -12.911  -0.628  -0.628
  142   2HG   PRO  18          2HG       PRO  18 -13.846  -1.686  -1.686
  143   1HD   PRO  18          1HD       PRO  18 -11.244  -1.176  -1.176
  144   2HD   PRO  18          2HD       PRO  18 -12.383  -1.206  -1.206
  145    H    ASP  19           H        ASP  19 -14.355   3.357   3.357
  146    HA   ASP  19           HA       ASP  19 -12.202   4.277   4.277
  147   1HB   ASP  19          1HB       ASP  19 -13.690   5.818   5.818
  148   2HB   ASP  19          2HB       ASP  19 -14.246   5.676   5.676
  149    H    CYS  20           H        CYS  20 -12.207   3.975   3.975
  150    HA   CYS  20           HA       CYS  20 -13.081   1.252   1.252
  151   1HB   CYS  20          1HB       CYS  20 -10.710   3.015   3.015
  152   2HB   CYS  20          2HB       CYS  20 -11.065   1.493   1.493
  153    H    SER  21           H        SER  21 -14.773   3.768   3.768
  154    HA   SER  21           HA       SER  21 -14.525   5.062   5.062
  155   1HB   SER  21          1HB       SER  21 -15.983   5.799   5.799
  156   2HB   SER  21          2HB       SER  21 -17.077   4.434   4.434
  157    HG   SER  21           HG       SER  21 -17.757   6.381   6.381
  158    H    ARG  22           H        ARG  22 -14.653   4.450   4.450
  159    HA   ARG  22           HA       ARG  22 -14.931   3.263   3.263
  160   1HB   ARG  22          1HB       ARG  22 -17.675   3.365   3.365
  161   2HB   ARG  22          2HB       ARG  22 -17.493   2.714   2.714
  162   1HG   ARG  22          1HG       ARG  22 -16.237   5.400   5.400
  163   2HG   ARG  22          2HG       ARG  22 -17.984   5.299   5.299
  164   1HD   ARG  22          1HD       ARG  22 -16.924   5.876   5.876
  165   2HD   ARG  22          2HD       ARG  22 -17.865   4.400   4.400
  166    HE   ARG  22           HE       ARG  22 -14.840   4.597   4.597
  167   1HH1  ARG  22          2HH2      ARG  22 -17.566   2.374   2.374
  168   2HH1  ARG  22          1HH2      ARG  22 -16.669   1.602   1.602
  169   1HH2  ARG  22          2HH1      ARG  22 -13.848   3.549   3.549
  170   2HH2  ARG  22          1HH1      ARG  22 -14.610   2.119   2.119
  171    H    ILE  23           H        ILE  23 -14.228   1.523   1.523
  172    HA   ILE  23           HA       ILE  23 -15.015  -1.111  -1.111
  173    HB   ILE  23           HB       ILE  23 -12.766  -0.366  -0.366
  174   1HG1  ILE  23          1HG1      ILE  23 -15.580  -1.427  -1.427
  175   2HG1  ILE  23          2HG1      ILE  23 -14.957   0.173   0.173
  176   1HG2  ILE  23          3HG2      ILE  23 -14.019  -3.049  -3.049
  177   2HG2  ILE  23          1HG2      ILE  23 -12.757  -2.846  -2.846
  178   3HG2  ILE  23          2HG2      ILE  23 -12.401  -2.498  -2.498
  179   1HD1  ILE  23          1HD1      ILE  23 -13.201  -0.985  -0.985
  180   2HD1  ILE  23          2HD1      ILE  23 -14.128  -2.485  -2.485
  181   3HD1  ILE  23          3HD1      ILE  23 -14.883  -1.096  -1.096
  182    H    TYR  24           H        TYR  24 -14.570  -0.693  -0.693
  183    HA   TYR  24           HA       TYR  24 -12.003   0.362   0.362
  184   1HB   TYR  24          1HB       TYR  24 -14.175   0.373   0.373
  185   2HB   TYR  24          2HB       TYR  24 -13.870  -1.317  -1.317
  186    HD1  TYR  24           HD1      TYR  24 -11.883   1.920   1.920
  187    HD2  TYR  24           HD2      TYR  24 -12.922  -1.643  -1.643
  188    HE1  TYR  24           HE1      TYR  24 -10.403   2.622   2.622
  189    HE2  TYR  24           HE2      TYR  24 -11.456  -0.906  -0.906
  190    HH   TYR  24           HH       TYR  24  -9.775   0.687   0.687
  191    H    ASP  25           H        ASP  25 -10.127  -0.704  -0.704
  192    HA   ASP  25           HA       ASP  25  -9.964  -3.585  -3.585
  193   1HB   ASP  25          1HB       ASP  25 -10.651  -3.484  -3.484
  194   2HB   ASP  25          2HB       ASP  25  -9.310  -2.386  -2.386
  195    HA   PRO  26           HA       PRO  26  -6.750  -0.402  -0.402
  196   1HB   PRO  26          1HB       PRO  26  -6.331  -0.616  -0.616
  197   2HB   PRO  26          2HB       PRO  26  -7.580   0.402   0.402
  198   1HG   PRO  26          1HG       PRO  26  -7.884  -2.426  -2.426
  199   2HG   PRO  26          2HG       PRO  26  -8.923  -1.020  -1.020
  200   1HD   PRO  26          1HD       PRO  26  -9.611  -2.832  -2.832
  201   2HD   PRO  26          2HD       PRO  26  -9.813  -1.082  -1.082
  202    H    VAL  27           H        VAL  27  -4.533  -0.545  -0.545
  203    HA   VAL  27           HA       VAL  27  -3.257  -2.969  -2.969
  204    HB   VAL  27           HB       VAL  27  -1.891  -3.232  -3.232
  205   1HG1  VAL  27          1HG1      VAL  27  -3.915  -4.699  -4.699
  206   2HG1  VAL  27          2HG1      VAL  27  -4.842  -3.614  -3.614
  207   3HG1  VAL  27          3HG1      VAL  27  -3.459  -4.507  -4.507
  208   1HG2  VAL  27          3HG2      VAL  27  -2.294  -0.970  -0.970
  209   2HG2  VAL  27          1HG2      VAL  27  -2.620  -2.290  -2.290
  210   3HG2  VAL  27          2HG2      VAL  27  -3.965  -1.438  -1.438
  211    H    CYS  28           H        CYS  28  -1.096  -2.571  -2.571
  212    HA   CYS  28           HA       CYS  28  -0.451   0.320   0.320
  213   1HB   CYS  28          1HB       CYS  28  -0.530  -1.060  -1.060
  214   2HB   CYS  28          2HB       CYS  28   0.720  -2.122  -2.122
  215    H    GLY  29           H        GLY  29   0.962   1.241   1.241
  216   1HA   GLY  29          1HA       GLY  29   2.477  -0.396  -0.396
  217   2HA   GLY  29          2HA       GLY  29   2.400   1.370   1.370
  218    H    THR  30           H        THR  30   4.859  -0.267  -0.267
  219    HA   THR  30           HA       THR  30   6.384  -0.199  -0.199
  220    HB   THR  30           HB       THR  30   8.318  -0.024  -0.024
  221    HG1  THR  30           HG1      THR  30   7.189   0.708   0.708
  222   1HG2  THR  30          3HG2      THR  30   6.381  -2.371  -2.371
  223   2HG2  THR  30          1HG2      THR  30   8.061  -2.371  -2.371
  224   3HG2  THR  30          2HG2      THR  30   7.752  -2.123  -2.123
  225    H    ASP  31           H        ASP  31   5.145   2.455   2.455
  226    HA   ASP  31           HA       ASP  31   7.211   4.326   4.326
  227   1HB   ASP  31          1HB       ASP  31   5.727   6.029   6.029
  228   2HB   ASP  31          2HB       ASP  31   5.840   4.733   4.733
  229    H    GLY  32           H        GLY  32   4.692   2.619   2.619
  230   1HA   GLY  32          1HA       GLY  32   4.402   2.485   2.485
  231   2HA   GLY  32          2HA       GLY  32   5.268   4.011   4.011
  232    H    VAL  33           H        VAL  33   2.808   4.004   4.004
  233    HA   VAL  33           HA       VAL  33   0.893   5.341   5.341
  234    HB   VAL  33           HB       VAL  33   1.218   5.688   5.688
  235   1HG1  VAL  33          2HG1      VAL  33  -0.360   7.231   7.231
  236   2HG1  VAL  33          3HG1      VAL  33  -0.194   7.681   7.681
  237   3HG1  VAL  33          1HG1      VAL  33  -1.052   6.199   6.199
  238   1HG2  VAL  33          3HG2      VAL  33   2.152   7.488   7.488
  239   2HG2  VAL  33          1HG2      VAL  33   3.210   6.644   6.644
  240   3HG2  VAL  33          2HG2      VAL  33   2.133   7.929   7.929
  241    H    THR  34           H        THR  34  -1.266   4.603   4.603
  242    HA   THR  34           HA       THR  34  -1.671   2.031   2.031
  243    HB   THR  34           HB       THR  34  -3.396   3.424   3.424
  244    HG1  THR  34           HG1      THR  34  -1.877   1.008   1.008
  245   1HG2  THR  34          3HG2      THR  34  -3.715   0.745   0.745
  246   2HG2  THR  34          1HG2      THR  34  -4.693   1.295   1.295
  247   3HG2  THR  34          2HG2      THR  34  -4.774   2.162   2.162
  248    H    TYR  35           H        TYR  35  -2.931   1.896   1.896
  249    HA   TYR  35           HA       TYR  35  -4.174   4.395   4.395
  250   1HB   TYR  35          1HB       TYR  35  -3.247   1.819   1.819
  251   2HB   TYR  35          2HB       TYR  35  -4.134   3.108   3.108
  252    HD1  TYR  35           HD1      TYR  35  -0.929   2.568   2.568
  253    HD2  TYR  35           HD2      TYR  35  -2.912   4.731   4.731
  254    HE1  TYR  35           HE1      TYR  35   1.198   3.646   3.646
  255    HE2  TYR  35           HE2      TYR  35  -0.755   5.775   5.775
  256    HH   TYR  35           HH       TYR  35   2.203   5.290   5.290
  257    H    GLU  36           H        GLU  36  -6.423   4.317   4.317
  258    HA   GLU  36           HA       GLU  36  -7.881   2.416   2.416
  259   1HB   GLU  36          1HB       GLU  36  -8.796   4.357   4.357
  260   2HB   GLU  36          2HB       GLU  36  -9.852   3.482   3.482
  261   1HG   GLU  36          1HG       GLU  36  -9.659   5.640   5.640
  262   2HG   GLU  36          2HG       GLU  36  -8.693   4.581   4.581
  263    H    SER  37           H        SER  37  -6.667   2.109   2.109
  264    HA   SER  37           HA       SER  37  -8.040  -0.435  -0.435
  265   1HB   SER  37          1HB       SER  37  -8.817   0.120   0.120
  266   2HB   SER  37          2HB       SER  37  -9.686   0.968   0.968
  267    HG   SER  37           HG       SER  37  -8.133   2.733   2.733
  268    H    GLU  38           H        GLU  38  -6.635  -1.855  -1.855
  269    HA   GLU  38           HA       GLU  38  -3.956  -1.194  -1.194
  270   1HB   GLU  38          1HB       GLU  38  -4.744  -3.413  -3.413
  271   2HB   GLU  38          2HB       GLU  38  -5.874  -3.442  -3.442
  272   1HG   GLU  38          1HG       GLU  38  -4.142  -3.361  -3.361
  273   2HG   GLU  38          2HG       GLU  38  -2.858  -3.322  -3.322
  274    H    CYS  39           H        CYS  39  -6.997  -1.063  -1.063
  275    HA   CYS  39           HA       CYS  39  -6.007  -0.557  -0.557
  276   1HB   CYS  39          1HB       CYS  39  -8.353  -0.764  -0.764
  277   2HB   CYS  39          2HB       CYS  39  -8.427   0.508   0.508
  278    H    LYS  40           H        LYS  40  -6.715   1.897   1.897
  279    HA   LYS  40           HA       LYS  40  -5.482   3.994   3.994
  280   1HB   LYS  40          1HB       LYS  40  -6.129   3.824   3.824
  281   2HB   LYS  40          2HB       LYS  40  -5.333   5.206   5.206
  282   1HG   LYS  40          1HG       LYS  40  -7.301   5.275   5.275
  283   2HG   LYS  40          2HG       LYS  40  -8.112   4.135   4.135
  284   1HD   LYS  40          1HD       LYS  40  -8.906   6.222   6.222
  285   2HD   LYS  40          2HD       LYS  40  -7.604   5.867   5.867
  286   1HE   LYS  40          1HE       LYS  40  -6.047   7.274   7.274
  287   2HE   LYS  40          2HE       LYS  40  -7.449   7.631   7.631
  288   1HZ   LYS  40          1HZ       LYS  40  -8.425   8.733   8.733
  289   2HZ   LYS  40          2HZ       LYS  40  -6.984   8.470   8.470
  290   3HZ   LYS  40          3HZ       LYS  40  -7.059   9.392   9.392
  291    H    LEU  41           H        LEU  41  -4.098   1.610   1.610
  292    HA   LEU  41           HA       LEU  41  -1.533   2.853   2.853
  293   1HB   LEU  41          1HB       LEU  41  -2.373   0.957   0.957
  294   2HB   LEU  41          2HB       LEU  41  -2.099  -0.136  -0.136
  295    HG   LEU  41           HG       LEU  41   0.211   1.612   1.612
  296   1HD1  LEU  41          2HD1      LEU  41  -0.715   0.712   0.712
  297   2HD1  LEU  41          3HD1      LEU  41  -0.507  -0.924  -0.924
  298   3HD1  LEU  41          1HD1      LEU  41   0.903   0.118   0.118
  299   1HD2  LEU  41          2HD2      LEU  41   0.308  -0.092  -0.092
  300   2HD2  LEU  41          3HD2      LEU  41   1.499  -0.377  -0.377
  301   3HD2  LEU  41          1HD2      LEU  41   0.018  -1.351  -1.351
  302    H    CYS  42           H        CYS  42  -2.890   0.540   0.540
  303    HA   CYS  42           HA       CYS  42  -0.544   0.272   0.272
  304   1HB   CYS  42          1HB       CYS  42  -3.379  -0.567  -0.567
  305   2HB   CYS  42          2HB       CYS  42  -2.612  -0.296  -0.296
  306    H    LEU  43           H        LEU  43  -3.507   2.239   2.239
  307    HA   LEU  43           HA       LEU  43  -2.848   3.746   3.746
  308   1HB   LEU  43          1HB       LEU  43  -4.235   4.487   4.487
  309   2HB   LEU  43          2HB       LEU  43  -4.220   5.567   5.567
  310    HG   LEU  43           HG       LEU  43  -5.508   2.806   2.806
  311   1HD1  LEU  43          3HD1      LEU  43  -6.685   5.622   5.622
  312   2HD1  LEU  43          1HD1      LEU  43  -7.602   4.109   4.109
  313   3HD1  LEU  43          2HD1      LEU  43  -6.788   4.499   4.499
  314   1HD2  LEU  43          2HD2      LEU  43  -5.287   4.919   4.919
  315   2HD2  LEU  43          3HD2      LEU  43  -4.710   3.231   3.231
  316   3HD2  LEU  43          1HD2      LEU  43  -6.440   3.564   3.564
  317    H    ALA  44           H        ALA  44  -2.024   4.506   4.506
  318    HA   ALA  44           HA       ALA  44  -0.436   6.765   6.765
  319   1HB   ALA  44          1HB       ALA  44  -0.436   4.888   4.888
  320   2HB   ALA  44          1HB       ALA  44   0.578   6.354   6.354
  321   3HB   ALA  44          2HB       ALA  44  -1.185   6.472   6.472
  322    H    ARG  45           H        ARG  45   0.583   3.344   3.344
  323    HA   ARG  45           HA       ARG  45   3.268   3.474   3.474
  324   1HB   ARG  45          1HB       ARG  45   1.231   1.413   1.413
  325   2HB   ARG  45          2HB       ARG  45   2.079   1.492   1.492
  326   1HG   ARG  45          1HG       ARG  45   3.389  -0.002  -0.002
  327   2HG   ARG  45          2HG       ARG  45   4.248   1.472   1.472
  328   1HD   ARG  45          1HD       ARG  45   2.450  -0.300  -0.300
  329   2HD   ARG  45          2HD       ARG  45   3.995   0.441   0.441
  330    HE   ARG  45           HE       ARG  45   1.254   1.430   1.430
  331   1HH1  ARG  45          2HH2      ARG  45   4.537   2.645   2.645
  332   2HH1  ARG  45          1HH2      ARG  45   4.223   4.156   4.156
  333   1HH2  ARG  45          2HH1      ARG  45   0.793   3.311   3.311
  334   2HH2  ARG  45          1HH1      ARG  45   2.003   4.492   4.492
  335    H    ILE  46           H        ILE  46   0.577   3.604   3.604
  336    HA   ILE  46           HA       ILE  46   2.460   3.825   3.825
  337    HB   ILE  46           HB       ILE  46  -0.534   4.389   4.389
  338   1HG1  ILE  46          1HG1      ILE  46   0.830   1.980   1.980
  339   2HG1  ILE  46          2HG1      ILE  46   0.476   1.994   1.994
  340   1HG2  ILE  46          1HG2      ILE  46   1.274   4.097   4.097
  341   2HG2  ILE  46          2HG2      ILE  46  -0.500   4.124   4.124
  342   3HG2  ILE  46          3HG2      ILE  46   0.379   5.551   5.551
  343   1HD1  ILE  46          1HD1      ILE  46  -1.643   2.378   2.378
  344   2HD1  ILE  46          2HD1      ILE  46  -1.289   0.885   0.885
  345   3HD1  ILE  46          3HD1      ILE  46  -1.888   2.316   2.316
  346    H    GLU  47           H        GLU  47   0.539   6.224   6.224
  347    HA   GLU  47           HA       GLU  47   1.314   8.511   8.511
  348   1HB   GLU  47          1HB       GLU  47  -0.444   8.331   8.331
  349   2HB   GLU  47          2HB       GLU  47   0.800   8.286   8.286
  350   1HG   GLU  47          1HG       GLU  47   1.543  10.555  10.555
  351   2HG   GLU  47          2HG       GLU  47   0.277  10.547  10.547
  352    H    ASN  48           H        ASN  48   2.865   6.866   6.866
  353    HA   ASN  48           HA       ASN  48   4.989   8.829   8.829
  354   1HB   ASN  48          1HB       ASN  48   4.400   6.200   6.200
  355   2HB   ASN  48          2HB       ASN  48   5.915   7.058   7.058
  356   1HD2  ASN  48          2HD2      ASN  48   2.533   8.818   8.818
  357   2HD2  ASN  48          1HD2      ASN  48   2.387   7.562   7.562
  358    H    LYS  49           H        LYS  49   4.678   5.639   5.639
  359    HA   LYS  49           HA       LYS  49   6.083   3.984   3.984
  360   1HB   LYS  49          1HB       LYS  49   7.543   6.304   6.304
  361   2HB   LYS  49          2HB       LYS  49   8.023   4.620   4.620
  362   1HG   LYS  49          1HG       LYS  49   6.025   4.013   4.013
  363   2HG   LYS  49          2HG       LYS  49   5.118   5.390   5.390
  364   1HD   LYS  49          1HD       LYS  49   7.256   5.508   5.508
  365   2HD   LYS  49          2HD       LYS  49   5.499   5.580   5.580
  366   1HE   LYS  49          1HE       LYS  49   5.627   7.618   7.618
  367   2HE   LYS  49          2HE       LYS  49   7.329   7.677   7.677
  368   1HZ   LYS  49          3HZ       LYS  49   6.532   7.895   7.895
  369   2HZ   LYS  49          1HZ       LYS  49   4.976   7.904   7.904
  370   3HZ   LYS  49          2HZ       LYS  49   5.966   9.114   9.114
  371    H    GLN  50           H        GLN  50   6.177   4.210   4.210
  372    HA   GLN  50           HA       GLN  50   9.034   3.664   3.664
  373   1HB   GLN  50          1HB       GLN  50   7.004   4.986   4.986
  374   2HB   GLN  50          2HB       GLN  50   8.577   4.349   4.349
  375   1HG   GLN  50          1HG       GLN  50   8.094   6.684   6.684
  376   2HG   GLN  50          2HG       GLN  50   8.637   6.797   6.797
  377   1HE2  GLN  50          2HE2      GLN  50  11.915   5.294   5.294
  378   2HE2  GLN  50          1HE2      GLN  50  10.687   4.994   4.994
  379    H    ASP  51           H        ASP  51   9.242   1.625   1.625
  380    HA   ASP  51           HA       ASP  51   6.848  -0.094  -0.094
  381   1HB   ASP  51          1HB       ASP  51   8.765  -1.047  -1.047
  382   2HB   ASP  51          2HB       ASP  51   9.800  -0.638  -0.638
  383    H    ILE  52           H        ILE  52   5.994   1.348   1.348
  384    HA   ILE  52           HA       ILE  52   6.723   0.727   0.727
  385    HB   ILE  52           HB       ILE  52   4.070   1.610   1.610
  386   1HG1  ILE  52          1HG1      ILE  52   6.208   3.329   3.329
  387   2HG1  ILE  52          2HG1      ILE  52   5.911   3.286   3.286
  388   1HG2  ILE  52          1HG2      ILE  52   3.875   0.561   0.561
  389   2HG2  ILE  52          2HG2      ILE  52   5.104   1.689   1.689
  390   3HG2  ILE  52          3HG2      ILE  52   3.520   2.278   2.278
  391   1HD1  ILE  52          3HD1      ILE  52   3.367   3.732   3.732
  392   2HD1  ILE  52          1HD1      ILE  52   4.389   4.640   4.640
  393   3HD1  ILE  52          2HD1      ILE  52   4.405   5.002   5.002
  394    H    GLN  53           H        GLN  53   6.198  -1.173  -1.173
  395    HA   GLN  53           HA       GLN  53   4.541  -3.200  -3.200
  396   1HB   GLN  53          1HB       GLN  53   6.899  -3.333  -3.333
  397   2HB   GLN  53          2HB       GLN  53   5.872  -4.728  -4.728
  398   1HG   GLN  53          1HG       GLN  53   6.356  -4.226  -4.226
  399   2HG   GLN  53          2HG       GLN  53   7.495  -3.072  -3.072
  400   1HE2  GLN  53          2HE2      GLN  53   9.726  -5.756  -5.756
  401   2HE2  GLN  53          1HE2      GLN  53   8.969  -4.320  -4.320
  402    H    ILE  54           H        ILE  54   3.355  -4.627  -4.627
  403    HA   ILE  54           HA       ILE  54   1.955  -3.185  -3.185
  404    HB   ILE  54           HB       ILE  54   1.706  -5.980  -5.980
  405   1HG1  ILE  54          1HG1      ILE  54  -0.210  -3.609  -3.609
  406   2HG1  ILE  54          2HG1      ILE  54   0.965  -3.976  -3.976
  407   1HG2  ILE  54          2HG2      ILE  54   0.065  -4.615  -4.615
  408   2HG2  ILE  54          3HG2      ILE  54  -0.361  -6.156  -6.156
  409   3HG2  ILE  54          1HG2      ILE  54   1.097  -6.046  -6.046
  410   1HD1  ILE  54          2HD1      ILE  54  -0.043  -6.224  -6.224
  411   2HD1  ILE  54          3HD1      ILE  54  -1.333  -5.770  -5.770
  412   3HD1  ILE  54          1HD1      ILE  54  -1.128  -4.870  -4.870
  413    H    VAL  55           H        VAL  55   2.861  -3.135  -3.135
  414    HA   VAL  55           HA       VAL  55   5.029  -4.899  -4.899
  415    HB   VAL  55           HB       VAL  55   3.248  -2.905  -2.905
  416   1HG1  VAL  55          1HG1      VAL  55   5.894  -4.213  -4.213
  417   2HG1  VAL  55          2HG1      VAL  55   5.115  -2.895  -2.895
  418   3HG1  VAL  55          3HG1      VAL  55   4.327  -4.470  -4.470
  419   1HG2  VAL  55          2HG2      VAL  55   6.020  -2.583  -2.583
  420   2HG2  VAL  55          3HG2      VAL  55   4.536  -1.836  -1.836
  421   3HG2  VAL  55          1HG2      VAL  55   5.160  -1.371  -1.371
  422    H    LYS  56           H        LYS  56   1.573  -4.286  -4.286
  423    HA   LYS  56           HA       LYS  56   1.018  -7.090  -7.090
  424   1HB   LYS  56          1HB       LYS  56   0.053  -6.642  -6.642
  425   2HB   LYS  56          2HB       LYS  56   1.814  -6.753  -6.753
  426   1HG   LYS  56          1HG       LYS  56   2.143  -4.453  -4.453
  427   2HG   LYS  56          2HG       LYS  56   0.521  -4.029  -4.029
  428   1HD   LYS  56          1HD       LYS  56   0.993  -5.521  -5.521
  429   2HD   LYS  56          2HD       LYS  56   1.019  -3.762  -3.762
  430   1HE   LYS  56          1HE       LYS  56  -1.285  -3.800  -3.800
  431   2HE   LYS  56          2HE       LYS  56  -1.345  -5.536  -5.536
  432   1HZ   LYS  56          3HZ       LYS  56  -1.036  -3.638  -3.638
  433   2HZ   LYS  56          1HZ       LYS  56  -2.468  -4.238  -4.238
  434   3HZ   LYS  56          2HZ       LYS  56  -1.351  -5.256  -5.256
  435    H    ASP  57           H        ASP  57  -1.213  -7.451  -7.451
  436    HA   ASP  57           HA       ASP  57  -2.835  -5.653  -5.653
  437   1HB   ASP  57          1HB       ASP  57  -3.935  -7.867  -7.867
  438   2HB   ASP  57          2HB       ASP  57  -4.469  -7.357  -7.357
  439    H    GLY  58           H        GLY  58  -4.672  -4.428  -4.428
  440   1HA   GLY  58          1HA       GLY  58  -5.974  -3.407  -3.407
  441   2HA   GLY  58          2HA       GLY  58  -5.336  -4.466  -4.466
  442    H    GLU  59           H        GLU  59  -5.804  -2.035  -2.035
  443    HA   GLU  59           HA       GLU  59  -3.781  -0.074  -0.074
  444   1HB   GLU  59          1HB       GLU  59  -5.681  -0.596  -0.596
  445   2HB   GLU  59          2HB       GLU  59  -4.769   0.892   0.892
  446   1HG   GLU  59          1HG       GLU  59  -5.978   1.564   1.564
  447   2HG   GLU  59          2HG       GLU  59  -6.545  -0.048  -0.048
  448    H    CYS  60           H        CYS  60  -2.083   0.471   0.471
  449    HA   CYS  60           HA       CYS  60  -0.406  -1.800  -1.800
  450   1HB   CYS  60          1HB       CYS  60   0.094   0.888   0.888
  451   2HB   CYS  60          2HB       CYS  60   0.836   0.365   0.365

  Start of MODEL   15
    1   1H    GLU   1          2HN       GLU   1  10.083 -16.967 -16.967
    2   2H    GLU   1          3HN       GLU   1  10.140 -18.077 -18.077
    3   3H    GLU   1          1HN       GLU   1  11.484 -17.211 -17.211
    4    HA   GLU   1           HA       GLU   1  10.678 -15.257 -15.257
    5   1HB   GLU   1          1HB       GLU   1   9.528 -17.271 -17.271
    6   2HB   GLU   1          2HB       GLU   1  10.219 -15.693 -15.693
    7   1HG   GLU   1          1HG       GLU   1  12.453 -16.502 -16.502
    8   2HG   GLU   1          2HG       GLU   1  11.777 -18.090 -18.090
    9    H    LYS   2           H        LYS   2   7.940 -17.443 -17.443
   10    HA   LYS   2           HA       LYS   2   5.703 -17.247 -17.247
   11   1HB   LYS   2          1HB       LYS   2   4.542 -15.340 -15.340
   12   2HB   LYS   2          2HB       LYS   2   6.058 -15.167 -15.167
   13   1HG   LYS   2          1HG       LYS   2   6.664 -13.709 -13.709
   14   2HG   LYS   2          2HG       LYS   2   4.917 -13.549 -13.549
   15   1HD   LYS   2          1HD       LYS   2   6.621 -12.931 -12.931
   16   2HD   LYS   2          2HD       LYS   2   6.176 -11.723 -11.723
   17   1HE   LYS   2          1HE       LYS   2   4.175 -13.256 -13.256
   18   2HE   LYS   2          2HE       LYS   2   4.820 -11.644 -11.644
   19   1HZ   LYS   2          3HZ       LYS   2   3.884 -10.943 -10.943
   20   2HZ   LYS   2          1HZ       LYS   2   3.062 -12.378 -12.378
   21   3HZ   LYS   2          2HZ       LYS   2   2.775 -11.334 -11.334
   22    H    GLN   3           H        GLN   3   4.023 -15.793 -15.793
   23    HA   GLN   3           HA       GLN   3   4.826 -16.421 -16.421
   24   1HB   GLN   3          1HB       GLN   3   3.155 -14.739 -14.739
   25   2HB   GLN   3          2HB       GLN   3   2.554 -15.883 -15.883
   26   1HG   GLN   3          1HG       GLN   3   1.579 -13.940 -13.940
   27   2HG   GLN   3          2HG       GLN   3   2.968 -13.993 -13.993
   28   1HE2  GLN   3          2HE2      GLN   3   4.489 -11.083 -11.083
   29   2HE2  GLN   3          1HE2      GLN   3   4.859 -12.517 -12.517
   30    H    VAL   4           H        VAL   4   5.828 -15.097 -15.097
   31    HA   VAL   4           HA       VAL   4   8.067 -13.730 -13.730
   32    HB   VAL   4           HB       VAL   4   7.914 -14.411 -14.411
   33   1HG1  VAL   4          1HG1      VAL   4   5.484 -14.150 -14.150
   34   2HG1  VAL   4          2HG1      VAL   4   5.678 -12.390 -12.390
   35   3HG1  VAL   4          3HG1      VAL   4   6.481 -13.412 -13.412
   36   1HG2  VAL   4          2HG2      VAL   4   9.163 -12.264 -12.264
   37   2HG2  VAL   4          3HG2      VAL   4   8.914 -12.557 -12.557
   38   3HG2  VAL   4          1HG2      VAL   4   7.897 -11.379 -11.379
   39    H    PHE   5           H        PHE   5   8.375 -12.059 -12.059
   40    HA   PHE   5           HA       PHE   5   6.779 -10.695 -10.695
   41   1HB   PHE   5          1HB       PHE   5   8.382  -9.002  -9.002
   42   2HB   PHE   5          2HB       PHE   5   9.226 -10.501 -10.501
   43    HD1  PHE   5          1HD       PHE   5  10.106 -10.873 -10.873
   44    HD2  PHE   5          1HD       PHE   5   9.057  -7.050  -7.050
   45    HE1  PHE   5          1HE       PHE   5  11.491  -9.725  -9.725
   46    HE2  PHE   5          2HE       PHE   5  10.568  -5.925  -5.925
   47    HZ   PHE   5           HZ       PHE   5  11.738  -7.254  -7.254
   48    H    SER   6           H        SER   6   7.658  -9.196  -9.196
   49    HA   SER   6           HA       SER   6   5.239  -7.462  -7.462
   50   1HB   SER   6          1HB       SER   6   6.389  -6.092  -6.092
   51   2HB   SER   6          2HB       SER   6   7.180  -6.116  -6.116
   52    HG   SER   6           HG       SER   6   8.746  -7.434  -7.434
   53    H    ARG   7           H        ARG   7   4.061  -7.105  -7.105
   54    HA   ARG   7           HA       ARG   7   3.784  -9.684  -9.684
   55   1HB   ARG   7          1HB       ARG   7   1.537  -7.857  -7.857
   56   2HB   ARG   7          2HB       ARG   7   1.426  -9.431  -9.431
   57   1HG   ARG   7          1HG       ARG   7   2.305 -10.515 -10.515
   58   2HG   ARG   7          2HG       ARG   7   2.586  -8.938  -8.938
   59   1HD   ARG   7          1HD       ARG   7   0.494  -9.898  -9.898
   60   2HD   ARG   7          2HD       ARG   7   0.169  -8.416  -8.416
   61    HE   ARG   7           HE       ARG   7  -0.076 -10.500 -10.500
   62   1HH1  ARG   7          2HH2      ARG   7  -1.825  -9.357  -9.357
   63   2HH1  ARG   7          1HH2      ARG   7  -3.339  -9.911  -9.911
   64   1HH2  ARG   7          2HH1      ARG   7  -1.995 -11.604 -11.604
   65   2HH2  ARG   7          1HH1      ARG   7  -3.493 -10.960 -10.960
   66    H    MET   8           H        MET   8   5.009  -8.781  -8.781
   67    HA   MET   8           HA       MET   8   4.446  -6.145  -6.145
   68   1HB   MET   8          1HB       MET   8   6.524  -6.972  -6.972
   69   2HB   MET   8          2HB       MET   8   5.939  -8.580  -8.580
   70   1HG   MET   8          1HG       MET   8   5.196  -8.047  -8.047
   71   2HG   MET   8          2HG       MET   8   5.102  -6.294  -6.294
   72   1HE   MET   8          2HE       MET   8   6.977  -4.637  -4.637
   73   2HE   MET   8          3HE       MET   8   7.866  -5.442  -5.442
   74   3HE   MET   8          1HE       MET   8   8.691  -5.036  -5.036
   75    HA   PRO   9           HA       PRO   9   0.534  -7.569  -7.569
   76   1HB   PRO   9          1HB       PRO   9  -0.544  -5.238  -5.238
   77   2HB   PRO   9          2HB       PRO   9  -0.258  -5.572  -5.572
   78   1HG   PRO   9          1HG       PRO   9   1.444  -3.901  -3.901
   79   2HG   PRO   9          2HG       PRO   9   0.887  -3.561  -3.561
   80   1HD   PRO   9          1HD       PRO   9   3.396  -4.707  -4.707
   81   2HD   PRO   9          2HD       PRO   9   2.475  -4.945  -4.945
   82    H    ILE  10           H        ILE  10  -0.773  -7.331  -7.331
   83    HA   ILE  10           HA       ILE  10   0.851  -6.936  -6.936
   84    HB   ILE  10           HB       ILE  10  -1.255  -9.108  -9.108
   85   1HG1  ILE  10          1HG1      ILE  10   1.752  -9.437  -9.437
   86   2HG1  ILE  10          2HG1      ILE  10   0.908  -9.621  -9.621
   87   1HG2  ILE  10          2HG2      ILE  10   0.444  -8.309  -8.309
   88   2HG2  ILE  10          3HG2      ILE  10  -0.515  -9.802  -9.802
   89   3HG2  ILE  10          1HG2      ILE  10  -1.314  -8.233  -8.233
   90   1HD1  ILE  10          1HD1      ILE  10  -0.486 -11.446 -11.446
   91   2HD1  ILE  10          2HD1      ILE  10   0.525 -11.411 -11.411
   92   3HD1  ILE  10          3HD1      ILE  10   1.247 -11.808 -11.808
   93    H    CYS  11           H        CYS  11  -0.265  -5.445  -5.445
   94    HA   CYS  11           HA       CYS  11  -3.142  -4.931  -4.931
   95   1HB   CYS  11          1HB       CYS  11  -0.873  -3.201  -3.201
   96   2HB   CYS  11          2HB       CYS  11  -2.205  -2.389  -2.389
   97    H    GLU  12           H        GLU  12  -3.671  -5.619  -5.619
   98    HA   GLU  12           HA       GLU  12  -2.459  -4.664  -4.664
   99   1HB   GLU  12          1HB       GLU  12  -5.097  -5.990  -5.990
  100   2HB   GLU  12          2HB       GLU  12  -4.483  -5.771  -5.771
  101   1HG   GLU  12          1HG       GLU  12  -2.813  -7.347  -7.347
  102   2HG   GLU  12          2HG       GLU  12  -2.564  -7.081  -7.081
  103    H    HIS  13           H        HIS  13  -4.770  -3.312  -3.312
  104    HA   HIS  13           HA       HIS  13  -5.940  -1.352  -1.352
  105   1HB   HIS  13          1HB       HIS  13  -7.095  -1.993  -1.993
  106   2HB   HIS  13          2HB       HIS  13  -5.711  -1.530  -1.530
  107    HD1  HIS  13           HD1      HIS  13  -5.504   0.980   0.980
  108    HD2  HIS  13           HD2      HIS  13  -8.662   0.111   0.111
  109    HE1  HIS  13           HE1      HIS  13  -6.990   3.035   3.035
  110    HE2  HIS  13           HE2      HIS  13  -8.870   2.568   2.568
  111    H    MET  14           H        MET  14  -3.643  -1.110  -1.110
  112    HA   MET  14           HA       MET  14  -1.975   0.944   0.944
  113   1HB   MET  14          1HB       MET  14  -1.945  -0.199  -0.199
  114   2HB   MET  14          2HB       MET  14  -0.758   0.909   0.909
  115   1HG   MET  14          1HG       MET  14  -0.214  -0.834  -0.834
  116   2HG   MET  14          2HG       MET  14  -1.369  -1.923  -1.923
  117   1HE   MET  14          2HE       MET  14   2.143  -0.197  -0.197
  118   2HE   MET  14          3HE       MET  14   2.653  -0.665  -0.665
  119   3HE   MET  14          1HE       MET  14   1.344   0.504   0.504
  120    H    THR  15           H        THR  15  -4.706   0.639   0.639
  121    HA   THR  15           HA       THR  15  -4.811   3.310   3.310
  122    HB   THR  15           HB       THR  15  -7.307   2.582   2.582
  123    HG1  THR  15           HG1      THR  15  -7.045   1.077   1.077
  124   1HG2  THR  15          3HG2      THR  15  -5.207   0.730   0.730
  125   2HG2  THR  15          1HG2      THR  15  -6.885   0.931   0.931
  126   3HG2  THR  15          2HG2      THR  15  -5.742   2.285   2.285
  127    H    GLU  16           H        GLU  16  -4.550   4.868   4.868
  128    HA   GLU  16           HA       GLU  16  -4.672   4.509   4.509
  129   1HB   GLU  16          1HB       GLU  16  -5.083   7.272   7.272
  130   2HB   GLU  16          2HB       GLU  16  -4.380   6.847   6.847
  131   1HG   GLU  16          1HG       GLU  16  -2.751   5.341   5.341
  132   2HG   GLU  16          2HG       GLU  16  -3.249   6.317   6.317
  133    H    SER  17           H        SER  17  -7.501   5.767   5.767
  134    HA   SER  17           HA       SER  17  -9.506   6.575   6.575
  135   1HB   SER  17          1HB       SER  17 -10.899   4.439   4.439
  136   2HB   SER  17          2HB       SER  17 -10.073   4.850   4.850
  137    HG   SER  17           HG       SER  17  -8.356   3.392   3.392
  138    HA   PRO  18           HA       PRO  18  -7.932   6.208   6.208
  139   1HB   PRO  18          1HB       PRO  18  -9.247   8.315   8.315
  140   2HB   PRO  18          2HB       PRO  18  -7.749   8.410   8.410
  141   1HG   PRO  18          1HG       PRO  18 -10.581   8.936   8.936
  142   2HG   PRO  18          2HG       PRO  18  -9.116   9.901   9.901
  143   1HD   PRO  18          1HD       PRO  18 -10.089   8.175   8.175
  144   2HD   PRO  18          2HD       PRO  18  -8.316   8.268   8.268
  145    H    ASP  19           H        ASP  19 -11.539   6.708   6.708
  146    HA   ASP  19           HA       ASP  19 -11.775   5.062   5.062
  147   1HB   ASP  19          1HB       ASP  19 -13.460   6.817   6.817
  148   2HB   ASP  19          2HB       ASP  19 -14.005   5.927   5.927
  149    H    CYS  20           H        CYS  20 -10.540   3.273   3.273
  150    HA   CYS  20           HA       CYS  20 -11.086   1.782   1.782
  151   1HB   CYS  20          1HB       CYS  20 -10.286   0.277   0.277
  152   2HB   CYS  20          2HB       CYS  20  -9.818   0.098   0.098
  153    H    SER  21           H        SER  21 -12.233   1.483   1.483
  154    HA   SER  21           HA       SER  21 -14.896   0.729   0.729
  155   1HB   SER  21          1HB       SER  21 -13.154  -1.447  -1.447
  156   2HB   SER  21          2HB       SER  21 -14.898  -1.529  -1.529
  157    HG   SER  21           HG       SER  21 -13.935  -1.057  -1.057
  158    H    ARG  22           H        ARG  22 -16.074   0.739   0.739
  159    HA   ARG  22           HA       ARG  22 -14.792   2.489   2.489
  160   1HB   ARG  22          1HB       ARG  22 -17.398   0.952   0.952
  161   2HB   ARG  22          2HB       ARG  22 -16.946   2.304   2.304
  162   1HG   ARG  22          1HG       ARG  22 -17.299   2.632   2.632
  163   2HG   ARG  22          2HG       ARG  22 -18.614   2.722   2.722
  164   1HD   ARG  22          1HD       ARG  22 -17.930   4.945   4.945
  165   2HD   ARG  22          2HD       ARG  22 -17.475   4.582   4.582
  166    HE   ARG  22           HE       ARG  22 -15.725   4.728   4.728
  167   1HH1  ARG  22          2HH2      ARG  22 -15.904   5.022   5.022
  168   2HH1  ARG  22          1HH2      ARG  22 -14.192   5.313   5.313
  169   1HH2  ARG  22          2HH1      ARG  22 -13.477   4.820   4.820
  170   2HH2  ARG  22          1HH1      ARG  22 -12.853   5.263   5.263
  171    H    ILE  23           H        ILE  23 -13.909  -0.456  -0.456
  172    HA   ILE  23           HA       ILE  23 -14.771  -1.813  -1.813
  173    HB   ILE  23           HB       ILE  23 -12.394  -2.167  -2.167
  174   1HG1  ILE  23          1HG1      ILE  23 -14.744  -2.367  -2.367
  175   2HG1  ILE  23          2HG1      ILE  23 -13.671  -3.732  -3.732
  176   1HG2  ILE  23          2HG2      ILE  23 -13.331  -4.093  -4.093
  177   2HG2  ILE  23          3HG2      ILE  23 -12.278  -4.525  -4.525
  178   3HG2  ILE  23          1HG2      ILE  23 -11.733  -3.342  -3.342
  179   1HD1  ILE  23          3HD1      ILE  23 -15.851  -3.582  -3.582
  180   2HD1  ILE  23          1HD1      ILE  23 -15.974  -4.415  -4.415
  181   3HD1  ILE  23          2HD1      ILE  23 -14.818  -4.987  -4.987
  182    H    TYR  24           H        TYR  24 -14.061  -1.893  -1.893
  183    HA   TYR  24           HA       TYR  24 -11.629  -0.382  -0.382
  184   1HB   TYR  24          1HB       TYR  24 -14.126  -0.378  -0.378
  185   2HB   TYR  24          2HB       TYR  24 -13.449  -1.705  -1.705
  186    HD1  TYR  24           HD1      TYR  24 -13.101   1.890   1.890
  187    HD2  TYR  24           HD2      TYR  24 -11.957  -1.197  -1.197
  188    HE1  TYR  24           HE1      TYR  24 -12.296   3.602   3.602
  189    HE2  TYR  24           HE2      TYR  24 -11.018   0.528   0.528
  190    HH   TYR  24           HH       TYR  24 -11.208   4.018   4.018
  191    H    ASP  25           H        ASP  25  -9.819  -1.616  -1.616
  192    HA   ASP  25           HA       ASP  25  -9.824  -4.260  -4.260
  193   1HB   ASP  25          1HB       ASP  25 -10.213  -4.584  -4.584
  194   2HB   ASP  25          2HB       ASP  25  -8.556  -4.030  -4.030
  195    HA   PRO  26           HA       PRO  26  -6.792  -0.877  -0.877
  196   1HB   PRO  26          1HB       PRO  26  -6.530  -0.790  -0.790
  197   2HB   PRO  26          2HB       PRO  26  -7.746   0.081   0.081
  198   1HG   PRO  26          1HG       PRO  26  -8.076  -2.537  -2.537
  199   2HG   PRO  26          2HG       PRO  26  -9.211  -1.152  -1.152
  200   1HD   PRO  26          1HD       PRO  26  -9.507  -3.389  -3.389
  201   2HD   PRO  26          2HD       PRO  26  -9.876  -1.759  -1.759
  202    H    VAL  27           H        VAL  27  -4.618  -0.791  -0.791
  203    HA   VAL  27           HA       VAL  27  -3.063  -3.055  -3.055
  204    HB   VAL  27           HB       VAL  27  -1.769  -3.034  -3.034
  205   1HG1  VAL  27          3HG1      VAL  27  -3.272  -4.915  -4.915
  206   2HG1  VAL  27          1HG1      VAL  27  -4.617  -4.093  -4.093
  207   3HG1  VAL  27          2HG1      VAL  27  -3.206  -4.616  -4.616
  208   1HG2  VAL  27          2HG2      VAL  27  -2.779  -0.948  -0.948
  209   2HG2  VAL  27          3HG2      VAL  27  -2.876  -2.349  -2.349
  210   3HG2  VAL  27          1HG2      VAL  27  -4.315  -1.814  -1.814
  211    H    CYS  28           H        CYS  28  -0.836  -2.320  -2.320
  212    HA   CYS  28           HA       CYS  28  -0.479   0.631   0.631
  213   1HB   CYS  28          1HB       CYS  28  -0.351  -0.299  -0.299
  214   2HB   CYS  28          2HB       CYS  28   1.118  -1.186  -1.186
  215    H    GLY  29           H        GLY  29   1.054   1.428   1.428
  216   1HA   GLY  29          1HA       GLY  29   2.573  -0.381  -0.381
  217   2HA   GLY  29          2HA       GLY  29   2.479   1.381   1.381
  218    H    THR  30           H        THR  30   4.943  -0.115  -0.115
  219    HA   THR  30           HA       THR  30   6.481   0.192   0.192
  220    HB   THR  30           HB       THR  30   8.363   0.293   0.293
  221    HG1  THR  30           HG1      THR  30   7.709  -0.450  -0.450
  222   1HG2  THR  30          3HG2      THR  30   6.423  -2.056  -2.056
  223   2HG2  THR  30          1HG2      THR  30   8.065  -2.201  -2.201
  224   3HG2  THR  30          2HG2      THR  30   7.828  -1.687  -1.687
  225    H    ASP  31           H        ASP  31   5.038   2.612   2.612
  226    HA   ASP  31           HA       ASP  31   6.991   4.707   4.707
  227   1HB   ASP  31          1HB       ASP  31   5.373   6.145   6.145
  228   2HB   ASP  31          2HB       ASP  31   5.444   4.733   4.733
  229    H    GLY  32           H        GLY  32   4.333   3.025   3.025
  230   1HA   GLY  32          1HA       GLY  32   4.125   2.957   2.957
  231   2HA   GLY  32          2HA       GLY  32   4.684   4.627   4.627
  232    H    VAL  33           H        VAL  33   2.474   4.214   4.214
  233    HA   VAL  33           HA       VAL  33   0.433   5.653   5.653
  234    HB   VAL  33           HB       VAL  33   0.844   5.298   5.298
  235   1HG1  VAL  33          3HG1      VAL  33  -1.338   6.741   6.741
  236   2HG1  VAL  33          1HG1      VAL  33  -0.964   7.049   7.049
  237   3HG1  VAL  33          2HG1      VAL  33  -1.542   5.454   5.454
  238   1HG2  VAL  33          3HG2      VAL  33   2.417   6.878   6.878
  239   2HG2  VAL  33          1HG2      VAL  33   1.281   7.731   7.731
  240   3HG2  VAL  33          2HG2      VAL  33   1.007   7.719   7.719
  241    H    THR  34           H        THR  34  -1.266   4.605   4.605
  242    HA   THR  34           HA       THR  34  -2.257   2.080   2.080
  243    HB   THR  34           HB       THR  34  -3.654   4.256   4.256
  244    HG1  THR  34           HG1      THR  34  -1.824   3.601   3.601
  245   1HG2  THR  34          2HG2      THR  34  -4.208   1.272   1.272
  246   2HG2  THR  34          3HG2      THR  34  -5.030   2.346   2.346
  247   3HG2  THR  34          1HG2      THR  34  -5.228   2.599   2.599
  248    H    TYR  35           H        TYR  35  -3.146   1.890   1.890
  249    HA   TYR  35           HA       TYR  35  -4.628   4.153   4.153
  250   1HB   TYR  35          1HB       TYR  35  -3.245   1.757   1.757
  251   2HB   TYR  35          2HB       TYR  35  -4.378   2.780   2.780
  252    HD1  TYR  35           HD2      TYR  35  -3.812   5.425   5.425
  253    HD2  TYR  35           HD1      TYR  35  -0.978   2.231   2.231
  254    HE1  TYR  35           HE2      TYR  35  -1.944   7.002   7.002
  255    HE2  TYR  35           HE1      TYR  35   0.893   3.846   3.846
  256    HH   TYR  35           HH       TYR  35   1.390   6.103   6.103
  257    H    GLU  36           H        GLU  36  -6.822   3.747   3.747
  258    HA   GLU  36           HA       GLU  36  -8.207   1.934   1.934
  259   1HB   GLU  36          1HB       GLU  36  -9.071   3.066   3.066
  260   2HB   GLU  36          2HB       GLU  36 -10.111   2.189   2.189
  261   1HG   GLU  36          1HG       GLU  36  -9.661   3.911   3.911
  262   2HG   GLU  36          2HG       GLU  36  -8.886   4.916   4.916
  263    H    SER  37           H        SER  37  -6.740   1.409   1.409
  264    HA   SER  37           HA       SER  37  -7.504  -1.383  -1.383
  265   1HB   SER  37          1HB       SER  37  -9.564  -0.536  -0.536
  266   2HB   SER  37          2HB       SER  37  -8.776   0.668   0.668
  267    HG   SER  37           HG       SER  37  -9.020  -2.110  -2.110
  268    H    GLU  38           H        GLU  38  -6.491  -2.445  -2.445
  269    HA   GLU  38           HA       GLU  38  -4.015  -1.940  -1.940
  270   1HB   GLU  38          1HB       GLU  38  -6.423  -3.385  -3.385
  271   2HB   GLU  38          2HB       GLU  38  -4.732  -3.681  -3.681
  272   1HG   GLU  38          1HG       GLU  38  -4.349  -4.484  -4.484
  273   2HG   GLU  38          2HG       GLU  38  -6.055  -4.248  -4.248
  274    H    CYS  39           H        CYS  39  -7.232  -0.763  -0.763
  275    HA   CYS  39           HA       CYS  39  -6.599   0.127   0.127
  276   1HB   CYS  39          1HB       CYS  39  -8.899   0.139   0.139
  277   2HB   CYS  39          2HB       CYS  39  -8.494   1.267   1.267
  278    H    LYS  40           H        LYS  40  -6.687   2.136   2.136
  279    HA   LYS  40           HA       LYS  40  -5.315   4.358   4.358
  280   1HB   LYS  40          1HB       LYS  40  -5.760   3.609   3.609
  281   2HB   LYS  40          2HB       LYS  40  -4.879   5.035   5.035
  282   1HG   LYS  40          1HG       LYS  40  -6.864   5.958   5.958
  283   2HG   LYS  40          2HG       LYS  40  -6.980   5.590   5.590
  284   1HD   LYS  40          1HD       LYS  40  -8.535   3.863   3.863
  285   2HD   LYS  40          2HD       LYS  40  -8.005   3.562   3.562
  286   1HE   LYS  40          1HE       LYS  40 -10.195   4.614   4.614
  287   2HE   LYS  40          2HE       LYS  40  -9.054   5.576   5.576
  288   1HZ   LYS  40          1HZ       LYS  40  -9.784   6.135   6.135
  289   2HZ   LYS  40          2HZ       LYS  40 -10.454   6.895   6.895
  290   3HZ   LYS  40          3HZ       LYS  40  -8.879   7.097   7.097
  291    H    LEU  41           H        LEU  41  -4.087   1.428   1.428
  292    HA   LEU  41           HA       LEU  41  -1.446   2.506   2.506
  293   1HB   LEU  41          1HB       LEU  41  -2.318   0.434   0.434
  294   2HB   LEU  41          2HB       LEU  41  -2.208  -0.413  -0.413
  295    HG   LEU  41           HG       LEU  41   0.176   0.971   0.971
  296   1HD1  LEU  41          2HD1      LEU  41  -0.797  -0.740  -0.740
  297   2HD1  LEU  41          3HD1      LEU  41  -0.689  -1.927  -1.927
  298   3HD1  LEU  41          1HD1      LEU  41   0.792  -1.215  -1.215
  299   1HD2  LEU  41          2HD2      LEU  41  -0.010  -1.116  -1.116
  300   2HD2  LEU  41          3HD2      LEU  41   0.786   0.470   0.470
  301   3HD2  LEU  41          1HD2      LEU  41   1.457  -0.779  -0.779
  302    H    CYS  42           H        CYS  42  -2.961   0.544   0.544
  303    HA   CYS  42           HA       CYS  42  -0.628   0.382   0.382
  304   1HB   CYS  42          1HB       CYS  42  -3.486  -0.252  -0.252
  305   2HB   CYS  42          2HB       CYS  42  -2.288  -0.239  -0.239
  306    H    LEU  43           H        LEU  43  -3.356   2.680   2.680
  307    HA   LEU  43           HA       LEU  43  -2.401   4.436   4.436
  308   1HB   LEU  43          1HB       LEU  43  -3.907   4.712   4.712
  309   2HB   LEU  43          2HB       LEU  43  -3.428   6.160   6.160
  310    HG   LEU  43           HG       LEU  43  -4.802   3.966   3.966
  311   1HD1  LEU  43          2HD1      LEU  43  -6.241   4.247   4.247
  312   2HD1  LEU  43          3HD1      LEU  43  -6.303   6.002   6.002
  313   3HD1  LEU  43          1HD1      LEU  43  -6.986   4.845   4.845
  314   1HD2  LEU  43          1HD2      LEU  43  -3.876   6.010   6.010
  315   2HD2  LEU  43          2HD2      LEU  43  -5.648   5.971   5.971
  316   3HD2  LEU  43          3HD2      LEU  43  -4.864   7.029   7.029
  317    H    ALA  44           H        ALA  44  -1.590   4.396   4.396
  318    HA   ALA  44           HA       ALA  44  -0.007   6.692   6.692
  319   1HB   ALA  44          1HB       ALA  44  -0.869   5.773   5.773
  320   2HB   ALA  44          1HB       ALA  44   0.222   4.376   4.376
  321   3HB   ALA  44          2HB       ALA  44   0.884   6.007   6.007
  322    H    ARG  45           H        ARG  45   0.993   3.277   3.277
  323    HA   ARG  45           HA       ARG  45   3.786   3.878   3.878
  324   1HB   ARG  45          1HB       ARG  45   4.001   1.687   1.687
  325   2HB   ARG  45          2HB       ARG  45   3.319   1.625   1.625
  326   1HG   ARG  45          1HG       ARG  45   1.099   1.478   1.478
  327   2HG   ARG  45          2HG       ARG  45   1.716   1.626   1.626
  328   1HD   ARG  45          1HD       ARG  45   1.166  -0.724  -0.724
  329   2HD   ARG  45          2HD       ARG  45   2.905  -0.453  -0.453
  330    HE   ARG  45           HE       ARG  45   1.376  -0.831  -0.831
  331   1HH1  ARG  45          2HH2      ARG  45   3.669  -2.272  -2.272
  332   2HH1  ARG  45          1HH2      ARG  45   4.975  -2.464  -2.464
  333   1HH2  ARG  45          2HH1      ARG  45   2.549  -2.061  -2.061
  334   2HH2  ARG  45          1HH1      ARG  45   4.136  -2.659  -2.659
  335    H    ILE  46           H        ILE  46   1.198   3.988   3.988
  336    HA   ILE  46           HA       ILE  46   2.969   4.508   4.508
  337    HB   ILE  46           HB       ILE  46  -0.019   4.808   4.808
  338   1HG1  ILE  46          1HG1      ILE  46   1.647   2.906   2.906
  339   2HG1  ILE  46          2HG1      ILE  46   0.981   2.520   2.520
  340   1HG2  ILE  46          3HG2      ILE  46   0.643   6.554   6.554
  341   2HG2  ILE  46          1HG2      ILE  46   1.476   5.334   5.334
  342   3HG2  ILE  46          2HG2      ILE  46  -0.284   5.278   5.278
  343   1HD1  ILE  46          1HD1      ILE  46  -1.323   2.911   2.911
  344   2HD1  ILE  46          2HD1      ILE  46  -0.645   3.099   3.099
  345   3HD1  ILE  46          3HD1      ILE  46  -0.460   1.565   1.565
  346    H    GLU  47           H        GLU  47   0.889   6.585   6.585
  347    HA   GLU  47           HA       GLU  47   1.501   9.105   9.105
  348   1HB   GLU  47          1HB       GLU  47   1.130   8.197   8.197
  349   2HB   GLU  47          2HB       GLU  47   0.986   9.858   9.858
  350   1HG   GLU  47          1HG       GLU  47  -0.785   7.805   7.805
  351   2HG   GLU  47          2HG       GLU  47  -1.133   8.287   8.287
  352    H    ASN  48           H        ASN  48   3.143   7.241   7.241
  353    HA   ASN  48           HA       ASN  48   5.272   9.072   9.072
  354   1HB   ASN  48          1HB       ASN  48   4.818   6.075   6.075
  355   2HB   ASN  48          2HB       ASN  48   6.371   6.798   6.798
  356   1HD2  ASN  48          2HD2      ASN  48   3.430   7.599   7.599
  357   2HD2  ASN  48          1HD2      ASN  48   2.976   7.351   7.351
  358    H    LYS  49           H        LYS  49   4.886   6.374   6.374
  359    HA   LYS  49           HA       LYS  49   6.271   5.214   5.214
  360   1HB   LYS  49          1HB       LYS  49   7.952   7.735   7.735
  361   2HB   LYS  49          2HB       LYS  49   8.089   6.298   6.298
  362   1HG   LYS  49          1HG       LYS  49   5.599   8.036   8.036
  363   2HG   LYS  49          2HG       LYS  49   6.804   8.237   8.237
  364   1HD   LYS  49          1HD       LYS  49   5.300   5.585   5.585
  365   2HD   LYS  49          2HD       LYS  49   4.651   6.889   6.889
  366   1HE   LYS  49          1HE       LYS  49   7.464   5.887   5.887
  367   2HE   LYS  49          2HE       LYS  49   6.072   5.009   5.009
  368   1HZ   LYS  49          3HZ       LYS  49   6.502   7.872   7.872
  369   2HZ   LYS  49          1HZ       LYS  49   6.936   6.711   6.711
  370   3HZ   LYS  49          2HZ       LYS  49   5.339   6.908   6.908
  371    H    GLN  50           H        GLN  50   6.306   4.836   4.836
  372    HA   GLN  50           HA       GLN  50   9.090   3.906   3.906
  373   1HB   GLN  50          1HB       GLN  50   7.190   4.912   4.912
  374   2HB   GLN  50          2HB       GLN  50   8.679   4.002   4.002
  375   1HG   GLN  50          1HG       GLN  50   9.920   5.883   5.883
  376   2HG   GLN  50          2HG       GLN  50   8.489   6.875   6.875
  377   1HE2  GLN  50          2HE2      GLN  50   8.622   6.636   6.636
  378   2HE2  GLN  50          1HE2      GLN  50   7.484   6.674   6.674
  379    H    ASP  51           H        ASP  51   9.050   1.726   1.726
  380    HA   ASP  51           HA       ASP  51   6.511   0.342   0.342
  381   1HB   ASP  51          1HB       ASP  51   8.620  -0.312  -0.312
  382   2HB   ASP  51          2HB       ASP  51   9.334  -0.718  -0.718
  383    H    ILE  52           H        ILE  52   5.301   0.795   0.795
  384    HA   ILE  52           HA       ILE  52   6.380   0.679   0.679
  385    HB   ILE  52           HB       ILE  52   3.562   0.502   0.502
  386   1HG1  ILE  52          1HG1      ILE  52   5.119   2.741   2.741
  387   2HG1  ILE  52          2HG1      ILE  52   4.876   2.620   2.620
  388   1HG2  ILE  52          3HG2      ILE  52   4.419   0.753   0.753
  389   2HG2  ILE  52          1HG2      ILE  52   2.782   1.063   1.063
  390   3HG2  ILE  52          2HG2      ILE  52   3.437  -0.546  -0.546
  391   1HD1  ILE  52          3HD1      ILE  52   2.359   2.689   2.689
  392   2HD1  ILE  52          1HD1      ILE  52   2.772   3.188   3.188
  393   3HD1  ILE  52          2HD1      ILE  52   3.283   4.176   4.176
  394    H    GLN  53           H        GLN  53   5.779  -0.978  -0.978
  395    HA   GLN  53           HA       GLN  53   4.926  -3.614  -3.614
  396   1HB   GLN  53          1HB       GLN  53   7.359  -3.059  -3.059
  397   2HB   GLN  53          2HB       GLN  53   6.300  -4.117  -4.117
  398   1HG   GLN  53          1HG       GLN  53   6.814  -5.887  -5.887
  399   2HG   GLN  53          2HG       GLN  53   6.431  -5.084  -5.084
  400   1HE2  GLN  53          2HE2      GLN  53  10.110  -6.107  -6.107
  401   2HE2  GLN  53          1HE2      GLN  53   8.677  -6.989  -6.989
  402    H    ILE  54           H        ILE  54   3.475  -4.586  -4.586
  403    HA   ILE  54           HA       ILE  54   2.102  -2.894  -2.894
  404    HB   ILE  54           HB       ILE  54   1.682  -5.690  -5.690
  405   1HG1  ILE  54          1HG1      ILE  54  -0.287  -3.402  -3.402
  406   2HG1  ILE  54          2HG1      ILE  54   0.992  -3.523  -3.523
  407   1HG2  ILE  54          1HG2      ILE  54   0.232  -4.256  -4.256
  408   2HG2  ILE  54          2HG2      ILE  54  -0.414  -5.684  -5.684
  409   3HG2  ILE  54          3HG2      ILE  54   1.089  -5.811  -5.811
  410   1HD1  ILE  54          3HD1      ILE  54  -1.017  -5.737  -5.737
  411   2HD1  ILE  54          1HD1      ILE  54  -1.108  -4.513  -4.513
  412   3HD1  ILE  54          2HD1      ILE  54   0.241  -5.652  -5.652
  413    H    VAL  55           H        VAL  55   3.026  -2.870  -2.870
  414    HA   VAL  55           HA       VAL  55   5.101  -4.817  -4.817
  415    HB   VAL  55           HB       VAL  55   3.594  -2.725  -2.725
  416   1HG1  VAL  55          3HG1      VAL  55   4.663  -4.591  -4.591
  417   2HG1  VAL  55          1HG1      VAL  55   6.206  -4.196  -4.196
  418   3HG1  VAL  55          2HG1      VAL  55   5.392  -3.008  -3.008
  419   1HG2  VAL  55          3HG2      VAL  55   6.326  -2.644  -2.644
  420   2HG2  VAL  55          1HG2      VAL  55   4.905  -1.686  -1.686
  421   3HG2  VAL  55          2HG2      VAL  55   5.677  -1.401  -1.401
  422    H    LYS  56           H        LYS  56   1.670  -3.978  -3.978
  423    HA   LYS  56           HA       LYS  56   1.105  -6.751  -6.751
  424   1HB   LYS  56          1HB       LYS  56   0.459  -5.940  -5.940
  425   2HB   LYS  56          2HB       LYS  56   2.190  -6.166  -6.166
  426   1HG   LYS  56          1HG       LYS  56   2.611  -3.837  -3.837
  427   2HG   LYS  56          2HG       LYS  56   0.917  -3.429  -3.429
  428   1HD   LYS  56          1HD       LYS  56   1.557  -4.829  -4.829
  429   2HD   LYS  56          2HD       LYS  56   2.225  -3.218  -3.218
  430   1HE   LYS  56          1HE       LYS  56  -0.009  -2.325  -2.325
  431   2HE   LYS  56          2HE       LYS  56  -0.731  -3.894  -3.894
  432   1HZ   LYS  56          3HZ       LYS  56   0.162  -3.709  -3.709
  433   2HZ   LYS  56          1HZ       LYS  56   0.616  -2.179  -2.179
  434   3HZ   LYS  56          2HZ       LYS  56  -0.968  -2.565  -2.565
  435    H    ASP  57           H        ASP  57  -1.004  -7.141  -7.141
  436    HA   ASP  57           HA       ASP  57  -3.042  -5.702  -5.702
  437   1HB   ASP  57          1HB       ASP  57  -3.222  -7.589  -7.589
  438   2HB   ASP  57          2HB       ASP  57  -4.500  -7.218  -7.218
  439    H    GLY  58           H        GLY  58  -4.356  -4.088  -4.088
  440   1HA   GLY  58          1HA       GLY  58  -5.617  -2.798  -2.798
  441   2HA   GLY  58          2HA       GLY  58  -5.043  -3.737  -3.737
  442    H    GLU  59           H        GLU  59  -5.245  -1.598  -1.598
  443    HA   GLU  59           HA       GLU  59  -3.776   0.605   0.605
  444   1HB   GLU  59          1HB       GLU  59  -4.591   0.194   0.194
  445   2HB   GLU  59          2HB       GLU  59  -4.437   1.702   1.702
  446   1HG   GLU  59          1HG       GLU  59  -6.270   0.535   0.535
  447   2HG   GLU  59          2HG       GLU  59  -6.561  -0.440  -0.440
  448    H    CYS  60           H        CYS  60  -1.908   1.585   1.585
  449    HA   CYS  60           HA       CYS  60   0.148  -0.155  -0.155
  450   1HB   CYS  60          1HB       CYS  60   0.005   2.437   2.437
  451   2HB   CYS  60          2HB       CYS  60   0.884   2.309   2.309

  Start of MODEL   16
    1   1H    GLU   1          1HN       GLU   1  10.387 -11.401 -11.401
    2   2H    GLU   1          2HN       GLU   1   9.791  -9.917  -9.917
    3   3H    GLU   1          3HN       GLU   1   9.189 -11.235 -11.235
    4    HA   GLU   1           HA       GLU   1  11.298 -11.591 -11.591
    5   1HB   GLU   1          1HB       GLU   1   9.697 -10.033 -10.033
    6   2HB   GLU   1          2HB       GLU   1  10.420  -8.682  -8.682
    7   1HG   GLU   1          1HG       GLU   1  12.674  -9.565  -9.565
    8   2HG   GLU   1          2HG       GLU   1  11.684 -10.458 -10.458
    9    H    LYS   2           H        LYS   2  13.296 -11.728 -11.728
   10    HA   LYS   2           HA       LYS   2  15.403 -11.122 -11.122
   11   1HB   LYS   2          1HB       LYS   2  14.447  -8.612  -8.612
   12   2HB   LYS   2          2HB       LYS   2  16.139  -8.954  -8.954
   13   1HG   LYS   2          1HG       LYS   2  16.217 -10.874 -10.874
   14   2HG   LYS   2          2HG       LYS   2  14.478 -11.046 -11.046
   15   1HD   LYS   2          1HD       LYS   2  15.033 -10.322 -10.322
   16   2HD   LYS   2          2HD       LYS   2  14.327  -8.916  -8.916
   17   1HE   LYS   2          1HE       LYS   2  16.672  -8.049  -8.049
   18   2HE   LYS   2          2HE       LYS   2  17.267  -9.378  -9.378
   19   1HZ   LYS   2          3HZ       LYS   2  15.609  -8.498  -8.498
   20   2HZ   LYS   2          1HZ       LYS   2  15.520  -7.167  -7.167
   21   3HZ   LYS   2          2HZ       LYS   2  16.966  -7.586  -7.586
   22    H    GLN   3           H        GLN   3  13.804  -8.000  -8.000
   23    HA   GLN   3           HA       GLN   3  15.399  -7.661  -7.661
   24   1HB   GLN   3          1HB       GLN   3  13.213  -5.943  -5.943
   25   2HB   GLN   3          2HB       GLN   3  14.291  -5.487  -5.487
   26   1HG   GLN   3          1HG       GLN   3  16.243  -5.848  -5.848
   27   2HG   GLN   3          2HG       GLN   3  15.117  -6.102  -6.102
   28   1HE2  GLN   3          2HE2      GLN   3  16.113  -2.441  -2.441
   29   2HE2  GLN   3          1HE2      GLN   3  17.099  -3.904  -3.904
   30    H    VAL   4           H        VAL   4  11.917  -8.006  -8.006
   31    HA   VAL   4           HA       VAL   4  11.191  -8.980  -8.980
   32    HB   VAL   4           HB       VAL   4  11.352  -6.493  -6.493
   33   1HG1  VAL   4          1HG1      VAL   4  10.656  -5.986  -5.986
   34   2HG1  VAL   4          2HG1      VAL   4   8.996  -6.477  -6.477
   35   3HG1  VAL   4          3HG1      VAL   4   9.726  -5.082  -5.082
   36   1HG2  VAL   4          3HG2      VAL   4   9.818  -7.689  -7.689
   37   2HG2  VAL   4          1HG2      VAL   4   9.180  -6.097  -6.097
   38   3HG2  VAL   4          2HG2      VAL   4   8.509  -7.549  -7.549
   39    H    PHE   5           H        PHE   5   8.954  -9.905  -9.905
   40    HA   PHE   5           HA       PHE   5   8.347 -10.821 -10.821
   41   1HB   PHE   5          1HB       PHE   5   8.390 -12.348 -12.348
   42   2HB   PHE   5          2HB       PHE   5   6.833 -11.637 -11.637
   43    HD1  PHE   5          1HD       PHE   5   8.713 -13.290 -13.290
   44    HD2  PHE   5          1HD       PHE   5   4.843 -12.481 -12.481
   45    HE1  PHE   5          2HE       PHE   5   7.616 -14.524 -14.524
   46    HE2  PHE   5          1HE       PHE   5   3.772 -13.861 -13.861
   47    HZ   PHE   5           HZ       PHE   5   5.158 -14.890 -14.890
   48    H    SER   6           H        SER   6   8.040  -8.206  -8.206
   49    HA   SER   6           HA       SER   6   5.218  -7.519  -7.519
   50   1HB   SER   6          1HB       SER   6   6.002  -5.928  -5.928
   51   2HB   SER   6          2HB       SER   6   6.545  -5.560  -5.560
   52    HG   SER   6           HG       SER   6   7.969  -6.852  -6.852
   53    H    ARG   7           H        ARG   7   3.806  -7.600  -7.600
   54    HA   ARG   7           HA       ARG   7   4.532  -9.816  -9.816
   55   1HB   ARG   7          1HB       ARG   7   1.739  -8.928  -8.928
   56   2HB   ARG   7          2HB       ARG   7   2.307 -10.391 -10.391
   57   1HG   ARG   7          1HG       ARG   7   3.437 -11.022 -11.022
   58   2HG   ARG   7          2HG       ARG   7   2.461  -9.729  -9.729
   59   1HD   ARG   7          1HD       ARG   7   1.471 -12.193 -12.193
   60   2HD   ARG   7          2HD       ARG   7   1.281 -11.845 -11.845
   61    HE   ARG   7           HE       ARG   7   0.080  -9.691  -9.691
   62   1HH1  ARG   7          2HH2      ARG   7  -0.417 -13.199 -13.199
   63   2HH1  ARG   7          1HH2      ARG   7  -2.114 -13.093 -13.093
   64   1HH2  ARG   7          2HH1      ARG   7  -2.159  -9.566  -9.566
   65   2HH2  ARG   7          1HH1      ARG   7  -3.053 -11.026 -11.026
   66    H    MET   8           H        MET   8   5.013  -8.997  -8.997
   67    HA   MET   8           HA       MET   8   4.531  -6.371  -6.371
   68   1HB   MET   8          1HB       MET   8   4.884  -7.118  -7.118
   69   2HB   MET   8          2HB       MET   8   6.119  -7.559  -7.559
   70   1HG   MET   8          1HG       MET   8   4.888  -9.862  -9.862
   71   2HG   MET   8          2HG       MET   8   4.146  -9.347  -9.347
   72   1HE   MET   8          2HE       MET   8   5.507  -8.711  -8.711
   73   2HE   MET   8          3HE       MET   8   6.719  -7.696  -7.696
   74   3HE   MET   8          1HE       MET   8   7.239  -9.041  -9.041
   75    HA   PRO   9           HA       PRO   9   0.101  -6.705  -6.705
   76   1HB   PRO   9          1HB       PRO   9  -0.585  -4.192  -4.192
   77   2HB   PRO   9          2HB       PRO   9  -0.073  -4.538  -4.538
   78   1HG   PRO   9          1HG       PRO   9   1.654  -3.533  -3.533
   79   2HG   PRO   9          2HG       PRO   9   1.559  -2.887  -2.887
   80   1HD   PRO   9          1HD       PRO   9   3.526  -4.566  -4.566
   81   2HD   PRO   9          2HD       PRO   9   2.708  -4.763  -4.763
   82    H    ILE  10           H        ILE  10  -1.412  -7.232  -7.232
   83    HA   ILE  10           HA       ILE  10  -0.505  -7.479  -7.479
   84    HB   ILE  10           HB       ILE  10  -3.042  -8.247  -8.247
   85   1HG1  ILE  10          1HG1      ILE  10  -0.650  -9.686  -9.686
   86   2HG1  ILE  10          2HG1      ILE  10  -1.228  -9.734  -9.734
   87   1HG2  ILE  10          3HG2      ILE  10  -3.557  -7.521  -7.521
   88   2HG2  ILE  10          1HG2      ILE  10  -2.493  -8.827  -8.827
   89   3HG2  ILE  10          2HG2      ILE  10  -3.954  -9.183  -9.183
   90   1HD1  ILE  10          3HD1      ILE  10  -3.290 -10.967 -10.967
   91   2HD1  ILE  10          1HD1      ILE  10  -2.313 -11.096 -11.096
   92   3HD1  ILE  10          2HD1      ILE  10  -1.740 -11.832 -11.832
   93    H    CYS  11           H        CYS  11  -0.364  -5.574  -5.574
   94    HA   CYS  11           HA       CYS  11  -2.504  -3.516  -3.516
   95   1HB   CYS  11          1HB       CYS  11   0.336  -3.284  -3.284
   96   2HB   CYS  11          2HB       CYS  11  -0.861  -1.989  -1.989
   97    H    GLU  12           H        GLU  12  -2.877  -2.279  -2.279
   98    HA   GLU  12           HA       GLU  12  -4.085  -4.132  -4.132
   99   1HB   GLU  12          1HB       GLU  12  -4.741  -2.136  -2.136
  100   2HB   GLU  12          2HB       GLU  12  -4.968  -1.893  -1.893
  101   1HG   GLU  12          1HG       GLU  12  -2.822  -0.579  -0.579
  102   2HG   GLU  12          2HG       GLU  12  -2.653  -0.812  -0.812
  103    H    HIS  13           H        HIS  13  -0.972  -4.237  -4.237
  104    HA   HIS  13           HA       HIS  13  -0.182  -3.262  -3.262
  105   1HB   HIS  13          1HB       HIS  13   1.336  -3.386  -3.386
  106   2HB   HIS  13          2HB       HIS  13   1.295  -5.155  -5.155
  107    HD1  HIS  13           HD1      HIS  13   3.085  -6.160  -6.160
  108    HD2  HIS  13           HD2      HIS  13   2.088  -2.101  -2.101
  109    HE1  HIS  13           HE1      HIS  13   4.544  -5.349  -5.349
  110    HE2  HIS  13           HE2      HIS  13   3.911  -2.914  -2.914
  111    H    MET  14           H        MET  14  -1.140  -6.469  -6.469
  112    HA   MET  14           HA       MET  14  -0.895  -7.822  -7.822
  113   1HB   MET  14          1HB       MET  14  -2.395  -8.558  -8.558
  114   2HB   MET  14          2HB       MET  14  -2.006  -9.597  -9.597
  115   1HG   MET  14          1HG       MET  14  -0.532 -10.095 -10.095
  116   2HG   MET  14          2HG       MET  14   0.414  -9.360  -9.360
  117   1HE   MET  14          3HE       MET  14  -1.083  -9.197  -9.197
  118   2HE   MET  14          1HE       MET  14  -0.553  -7.609  -7.609
  119   3HE   MET  14          2HE       MET  14  -1.757  -7.704  -7.704
  120    H    THR  15           H        THR  15  -2.921  -8.779  -8.779
  121    HA   THR  15           HA       THR  15  -4.452  -6.543  -6.543
  122    HB   THR  15           HB       THR  15  -5.464  -8.385  -8.385
  123    HG1  THR  15           HG1      THR  15  -5.148 -10.255 -10.255
  124   1HG2  THR  15          2HG2      THR  15  -3.457  -7.059  -7.059
  125   2HG2  THR  15          3HG2      THR  15  -2.402  -8.211  -8.211
  126   3HG2  THR  15          1HG2      THR  15  -3.373  -8.740  -8.740
  127    H    GLU  16           H        GLU  16  -5.222  -9.117  -9.117
  128    HA   GLU  16           HA       GLU  16  -8.076  -8.573  -8.573
  129   1HB   GLU  16          1HB       GLU  16  -6.337  -9.759  -9.759
  130   2HB   GLU  16          2HB       GLU  16  -8.086  -9.778  -9.778
  131   1HG   GLU  16          1HG       GLU  16  -8.034 -11.208 -11.208
  132   2HG   GLU  16          2HG       GLU  16  -6.264 -11.219 -11.219
  133    H    SER  17           H        SER  17  -9.111  -7.659  -7.659
  134    HA   SER  17           HA       SER  17  -8.200  -5.116  -5.116
  135   1HB   SER  17          1HB       SER  17 -10.524  -6.137  -6.137
  136   2HB   SER  17          2HB       SER  17  -9.921  -7.116  -7.116
  137    HG   SER  17           HG       SER  17 -10.880  -5.276  -5.276
  138    HA   PRO  18           HA       PRO  18  -5.573  -6.674  -6.674
  139   1HB   PRO  18          1HB       PRO  18  -5.204  -4.410  -4.410
  140   2HB   PRO  18          2HB       PRO  18  -4.506  -4.617  -4.617
  141   1HG   PRO  18          1HG       PRO  18  -7.062  -3.118  -3.118
  142   2HG   PRO  18          2HG       PRO  18  -5.675  -2.555  -2.555
  143   1HD   PRO  18          1HD       PRO  18  -7.945  -3.743  -3.743
  144   2HD   PRO  18          2HD       PRO  18  -6.348  -3.848  -3.848
  145    H    ASP  19           H        ASP  19  -6.998  -4.452  -4.452
  146    HA   ASP  19           HA       ASP  19  -9.511  -5.898  -5.898
  147   1HB   ASP  19          1HB       ASP  19  -7.163  -5.614  -5.614
  148   2HB   ASP  19          2HB       ASP  19  -8.818  -5.683  -5.683
  149    H    CYS  20           H        CYS  20  -9.688  -3.818  -3.818
  150    HA   CYS  20           HA       CYS  20 -10.016  -1.430  -1.430
  151   1HB   CYS  20          1HB       CYS  20  -9.797  -1.814  -1.814
  152   2HB   CYS  20          2HB       CYS  20 -10.553  -0.392  -0.392
  153    H    SER  21           H        SER  21 -11.865  -1.362  -1.362
  154    HA   SER  21           HA       SER  21 -14.251  -1.051  -1.051
  155   1HB   SER  21          1HB       SER  21 -14.164  -3.615  -3.615
  156   2HB   SER  21          2HB       SER  21 -14.299  -3.407  -3.407
  157    HG   SER  21           HG       SER  21 -16.344  -3.701  -3.701
  158    H    ARG  22           H        ARG  22 -16.012  -0.890  -0.890
  159    HA   ARG  22           HA       ARG  22 -14.863   1.288   1.288
  160   1HB   ARG  22          1HB       ARG  22 -17.575   0.016   0.016
  161   2HB   ARG  22          2HB       ARG  22 -17.318   0.976   0.976
  162   1HG   ARG  22          1HG       ARG  22 -16.613   2.156   2.156
  163   2HG   ARG  22          2HG       ARG  22 -18.284   2.156   2.156
  164   1HD   ARG  22          1HD       ARG  22 -17.672   3.350   3.350
  165   2HD   ARG  22          2HD       ARG  22 -15.959   3.102   3.102
  166    HE   ARG  22           HE       ARG  22 -17.462   4.618   4.618
  167   1HH1  ARG  22          2HH2      ARG  22 -15.247   4.794   4.794
  168   2HH1  ARG  22          1HH2      ARG  22 -14.519   6.260   6.260
  169   1HH2  ARG  22          2HH1      ARG  22 -16.447   6.597   6.597
  170   2HH2  ARG  22          1HH1      ARG  22 -15.620   7.534   7.534
  171    H    ILE  23           H        ILE  23 -13.855  -1.542  -1.542
  172    HA   ILE  23           HA       ILE  23 -14.944  -2.278  -2.278
  173    HB   ILE  23           HB       ILE  23 -12.629  -3.356  -3.356
  174   1HG1  ILE  23          1HG1      ILE  23 -15.410  -4.531  -4.531
  175   2HG1  ILE  23          2HG1      ILE  23 -15.016  -3.405  -3.405
  176   1HG2  ILE  23          1HG2      ILE  23 -12.576  -4.029  -4.029
  177   2HG2  ILE  23          2HG2      ILE  23 -14.173  -4.745  -4.745
  178   3HG2  ILE  23          3HG2      ILE  23 -12.781  -5.381  -5.381
  179   1HD1  ILE  23          2HD1      ILE  23 -13.146  -4.865  -4.865
  180   2HD1  ILE  23          3HD1      ILE  23 -13.686  -6.094  -6.094
  181   3HD1  ILE  23          1HD1      ILE  23 -14.741  -5.602  -5.602
  182    H    TYR  24           H        TYR  24 -14.358  -1.252  -1.252
  183    HA   TYR  24           HA       TYR  24 -11.681  -0.107  -0.107
  184   1HB   TYR  24          1HB       TYR  24 -13.619   0.849   0.849
  185   2HB   TYR  24          2HB       TYR  24 -14.096  -0.725  -0.725
  186    HD1  TYR  24           HD2      TYR  24 -10.901   1.331   1.331
  187    HD2  TYR  24           HD1      TYR  24 -13.975  -0.777  -0.777
  188    HE1  TYR  24           HE2      TYR  24  -9.889   2.046   2.046
  189    HE2  TYR  24           HE1      TYR  24 -12.951  -0.068  -0.068
  190    HH   TYR  24           HH       TYR  24  -9.954   1.821   1.821
  191    H    ASP  25           H        ASP  25  -9.979  -1.448  -1.448
  192    HA   ASP  25           HA       ASP  25 -10.182  -3.552  -3.552
  193   1HB   ASP  25          1HB       ASP  25 -10.679  -4.940  -4.940
  194   2HB   ASP  25          2HB       ASP  25  -9.190  -4.346  -4.346
  195    HA   PRO  26           HA       PRO  26  -6.780  -0.624  -0.624
  196   1HB   PRO  26          1HB       PRO  26  -6.079  -0.147  -0.147
  197   2HB   PRO  26          2HB       PRO  26  -7.424   0.660   0.660
  198   1HG   PRO  26          1HG       PRO  26  -7.590  -1.702  -1.702
  199   2HG   PRO  26          2HG       PRO  26  -8.676  -0.291  -0.291
  200   1HD   PRO  26          1HD       PRO  26  -9.289  -2.696  -2.696
  201   2HD   PRO  26          2HD       PRO  26  -9.770  -1.172  -1.172
  202    H    VAL  27           H        VAL  27  -4.478  -0.478  -0.478
  203    HA   VAL  27           HA       VAL  27  -3.145  -2.872  -2.872
  204    HB   VAL  27           HB       VAL  27  -1.884  -3.168  -3.168
  205   1HG1  VAL  27          2HG1      VAL  27  -3.896  -4.597  -4.597
  206   2HG1  VAL  27          3HG1      VAL  27  -4.855  -3.462  -3.462
  207   3HG1  VAL  27          1HG1      VAL  27  -3.519  -4.344  -4.344
  208   1HG2  VAL  27          1HG2      VAL  27  -3.899  -1.208  -1.208
  209   2HG2  VAL  27          2HG2      VAL  27  -2.151  -0.951  -0.951
  210   3HG2  VAL  27          3HG2      VAL  27  -2.751  -2.193  -2.193
  211    H    CYS  28           H        CYS  28  -0.833  -2.437  -2.437
  212    HA   CYS  28           HA       CYS  28  -0.229   0.497   0.497
  213   1HB   CYS  28          1HB       CYS  28  -0.211  -0.706  -0.706
  214   2HB   CYS  28          2HB       CYS  28   1.031  -1.828  -1.828
  215    H    GLY  29           H        GLY  29   1.186   1.354   1.354
  216   1HA   GLY  29          1HA       GLY  29   2.620  -0.361  -0.361
  217   2HA   GLY  29          2HA       GLY  29   2.559   1.402   1.402
  218    H    THR  30           H        THR  30   4.953  -0.251  -0.251
  219    HA   THR  30           HA       THR  30   6.714  -0.014  -0.014
  220    HB   THR  30           HB       THR  30   8.440  -0.020  -0.020
  221    HG1  THR  30           HG1      THR  30   7.569  -0.738  -0.738
  222   1HG2  THR  30          1HG2      THR  30   6.478  -2.321  -2.321
  223   2HG2  THR  30          2HG2      THR  30   8.082  -2.435  -2.435
  224   3HG2  THR  30          3HG2      THR  30   7.948  -2.006  -2.006
  225    H    ASP  31           H        ASP  31   5.327   2.412   2.412
  226    HA   ASP  31           HA       ASP  31   7.326   4.468   4.468
  227   1HB   ASP  31          1HB       ASP  31   5.945   5.936   5.936
  228   2HB   ASP  31          2HB       ASP  31   5.925   4.431   4.431
  229    H    GLY  32           H        GLY  32   4.963   2.814   2.814
  230   1HA   GLY  32          1HA       GLY  32   4.438   3.131   3.131
  231   2HA   GLY  32          2HA       GLY  32   5.148   4.749   4.749
  232    H    VAL  33           H        VAL  33   2.960   4.463   4.463
  233    HA   VAL  33           HA       VAL  33   0.962   5.990   5.990
  234    HB   VAL  33           HB       VAL  33   1.309   5.452   5.452
  235   1HG1  VAL  33          1HG1      VAL  33  -0.944   6.935   6.935
  236   2HG1  VAL  33          2HG1      VAL  33  -0.613   7.038   7.038
  237   3HG1  VAL  33          3HG1      VAL  33  -1.113   5.500   5.500
  238   1HG2  VAL  33          1HG2      VAL  33   1.421   7.950   7.950
  239   2HG2  VAL  33          2HG2      VAL  33   2.811   7.134   7.134
  240   3HG2  VAL  33          3HG2      VAL  33   1.581   7.922   7.922
  241    H    THR  34           H        THR  34  -0.994   5.199   5.199
  242    HA   THR  34           HA       THR  34  -1.594   2.346   2.346
  243    HB   THR  34           HB       THR  34  -3.098   4.504   4.504
  244    HG1  THR  34           HG1      THR  34  -2.131   3.380   3.380
  245   1HG2  THR  34          1HG2      THR  34  -3.343   1.471   1.471
  246   2HG2  THR  34          2HG2      THR  34  -4.207   2.533   2.533
  247   3HG2  THR  34          3HG2      THR  34  -4.559   2.627   2.627
  248    H    TYR  35           H        TYR  35  -2.455   1.876   1.876
  249    HA   TYR  35           HA       TYR  35  -4.118   3.893   3.893
  250   1HB   TYR  35          1HB       TYR  35  -2.953   1.225   1.225
  251   2HB   TYR  35          2HB       TYR  35  -3.986   2.235   2.235
  252    HD1  TYR  35           HD1      TYR  35  -3.211   4.376   4.376
  253    HD2  TYR  35           HD2      TYR  35  -0.628   1.969   1.969
  254    HE1  TYR  35           HE1      TYR  35  -1.313   5.883   5.883
  255    HE2  TYR  35           HE2      TYR  35   1.279   3.410   3.410
  256    HH   TYR  35           HH       TYR  35   1.900   5.467   5.467
  257    H    GLU  36           H        GLU  36  -6.217   3.280   3.280
  258    HA   GLU  36           HA       GLU  36  -7.807   1.790   1.790
  259   1HB   GLU  36          1HB       GLU  36  -8.526   3.023   3.023
  260   2HB   GLU  36          2HB       GLU  36  -9.669   2.366   2.366
  261   1HG   GLU  36          1HG       GLU  36  -9.123   4.054   4.054
  262   2HG   GLU  36          2HG       GLU  36  -7.761   4.637   4.637
  263    H    SER  37           H        SER  37  -6.286   1.025   1.025
  264    HA   SER  37           HA       SER  37  -6.301  -1.660  -1.660
  265   1HB   SER  37          1HB       SER  37  -7.874  -2.263  -2.263
  266   2HB   SER  37          2HB       SER  37  -8.412  -2.258  -2.258
  267    HG   SER  37           HG       SER  37  -9.418  -0.399  -0.399
  268    H    GLU  38           H        GLU  38  -5.539  -2.963  -2.963
  269    HA   GLU  38           HA       GLU  38  -3.410  -2.008  -2.008
  270   1HB   GLU  38          1HB       GLU  38  -5.582  -3.983  -3.983
  271   2HB   GLU  38          2HB       GLU  38  -4.284  -3.559  -3.559
  272   1HG   GLU  38          1HG       GLU  38  -3.497  -5.443  -5.443
  273   2HG   GLU  38          2HG       GLU  38  -2.611  -4.177  -4.177
  274    H    CYS  39           H        CYS  39  -6.751  -1.437  -1.437
  275    HA   CYS  39           HA       CYS  39  -5.991  -0.658  -0.658
  276   1HB   CYS  39          1HB       CYS  39  -8.333  -0.954  -0.954
  277   2HB   CYS  39          2HB       CYS  39  -8.226   0.572   0.572
  278    H    LYS  40           H        LYS  40  -6.442   1.490   1.490
  279    HA   LYS  40           HA       LYS  40  -5.436   3.869   3.869
  280   1HB   LYS  40          1HB       LYS  40  -6.151   3.215   3.215
  281   2HB   LYS  40          2HB       LYS  40  -5.583   4.811   4.811
  282   1HG   LYS  40          1HG       LYS  40  -7.449   5.217   5.217
  283   2HG   LYS  40          2HG       LYS  40  -7.908   3.506   3.506
  284   1HD   LYS  40          1HD       LYS  40  -8.502   3.527   3.527
  285   2HD   LYS  40          2HD       LYS  40  -8.046   5.227   5.227
  286   1HE   LYS  40          1HE       LYS  40 -10.494   4.938   4.938
  287   2HE   LYS  40          2HE       LYS  40  -9.863   5.852   5.852
  288   1HZ   LYS  40          1HZ       LYS  40 -10.423   2.947   2.947
  289   2HZ   LYS  40          2HZ       LYS  40 -11.483   4.070   4.070
  290   3HZ   LYS  40          3HZ       LYS  40 -10.073   3.899   3.899
  291    H    LEU  41           H        LEU  41  -4.055   1.302   1.302
  292    HA   LEU  41           HA       LEU  41  -1.607   2.712   2.712
  293   1HB   LEU  41          1HB       LEU  41  -2.346   0.652   0.652
  294   2HB   LEU  41          2HB       LEU  41  -2.062  -0.285  -0.285
  295    HG   LEU  41           HG       LEU  41   0.189   1.355   1.355
  296   1HD1  LEU  41          2HD1      LEU  41  -0.717  -1.427  -1.427
  297   2HD1  LEU  41          3HD1      LEU  41   0.813  -0.666  -0.666
  298   3HD1  LEU  41          1HD1      LEU  41  -0.730   0.023   0.023
  299   1HD2  LEU  41          3HD2      LEU  41   0.052  -1.228  -1.228
  300   2HD2  LEU  41          1HD2      LEU  41   0.707   0.326   0.326
  301   3HD2  LEU  41          2HD2      LEU  41   1.542  -0.578  -0.578
  302    H    CYS  42           H        CYS  42  -2.593   0.482   0.482
  303    HA   CYS  42           HA       CYS  42  -0.192   0.330   0.330
  304   1HB   CYS  42          1HB       CYS  42  -3.089  -0.147  -0.147
  305   2HB   CYS  42          2HB       CYS  42  -1.848  -0.254  -0.254
  306    H    LEU  43           H        LEU  43  -3.132   2.318   2.318
  307    HA   LEU  43           HA       LEU  43  -2.228   3.947   3.947
  308   1HB   LEU  43          1HB       LEU  43  -3.976   4.329   4.329
  309   2HB   LEU  43          2HB       LEU  43  -3.694   5.721   5.721
  310    HG   LEU  43           HG       LEU  43  -4.779   3.151   3.151
  311   1HD1  LEU  43          2HD1      LEU  43  -6.293   5.392   5.392
  312   2HD1  LEU  43          3HD1      LEU  43  -7.044   4.287   4.287
  313   3HD1  LEU  43          1HD1      LEU  43  -6.406   3.651   3.651
  314   1HD2  LEU  43          3HD2      LEU  43  -3.917   4.996   4.996
  315   2HD2  LEU  43          1HD2      LEU  43  -5.674   4.751   4.751
  316   3HD2  LEU  43          2HD2      LEU  43  -5.050   6.118   6.118
  317    H    ALA  44           H        ALA  44  -1.880   4.632   4.632
  318    HA   ALA  44           HA       ALA  44  -0.425   6.991   6.991
  319   1HB   ALA  44          1HB       ALA  44  -0.418   5.151   5.151
  320   2HB   ALA  44          2HB       ALA  44   0.224   6.798   6.798
  321   3HB   ALA  44          1HB       ALA  44  -1.521   6.519   6.519
  322    H    ARG  45           H        ARG  45   0.799   3.647   3.647
  323    HA   ARG  45           HA       ARG  45   3.524   4.546   4.546
  324   1HB   ARG  45          1HB       ARG  45   4.093   2.208   2.208
  325   2HB   ARG  45          2HB       ARG  45   2.806   2.422   2.422
  326   1HG   ARG  45          1HG       ARG  45   1.204   1.645   1.645
  327   2HG   ARG  45          2HG       ARG  45   2.195   1.658   1.658
  328   1HD   ARG  45          1HD       ARG  45   2.706  -0.103  -0.103
  329   2HD   ARG  45          2HD       ARG  45   1.916  -0.627  -0.627
  330    HE   ARG  45           HE       ARG  45   4.170   0.608   0.608
  331   1HH1  ARG  45          2HH2      ARG  45   4.062  -1.881  -1.881
  332   2HH1  ARG  45          1HH2      ARG  45   4.999  -3.027  -3.027
  333   1HH2  ARG  45          2HH1      ARG  45   5.530  -0.608  -0.608
  334   2HH2  ARG  45          1HH1      ARG  45   6.150  -2.121  -2.121
  335    H    ILE  46           H        ILE  46   1.342   3.695   3.695
  336    HA   ILE  46           HA       ILE  46   3.640   3.721   3.721
  337    HB   ILE  46           HB       ILE  46   0.659   3.764   3.764
  338   1HG1  ILE  46          1HG1      ILE  46   2.789   1.564   1.564
  339   2HG1  ILE  46          2HG1      ILE  46   1.588   1.667   1.667
  340   1HG2  ILE  46          3HG2      ILE  46   2.001   4.819   4.819
  341   2HG2  ILE  46          1HG2      ILE  46   3.056   3.397   3.397
  342   3HG2  ILE  46          2HG2      ILE  46   1.346   3.271   3.271
  343   1HD1  ILE  46          2HD1      ILE  46  -0.224   1.539   1.539
  344   2HD1  ILE  46          3HD1      ILE  46   1.056   1.099   1.099
  345   3HD1  ILE  46          1HD1      ILE  46   0.746   0.075   0.075
  346    H    GLU  47           H        GLU  47   1.064   6.120   6.120
  347    HA   GLU  47           HA       GLU  47   1.949   8.072   8.072
  348   1HB   GLU  47          1HB       GLU  47   0.494   8.302   8.302
  349   2HB   GLU  47          2HB       GLU  47   0.752   9.652   9.652
  350   1HG   GLU  47          1HG       GLU  47  -0.662   7.089   7.089
  351   2HG   GLU  47          2HG       GLU  47  -1.509   8.463   8.463
  352    H    ASN  48           H        ASN  48   2.709   7.617   7.617
  353    HA   ASN  48           HA       ASN  48   4.568   9.837   9.837
  354   1HB   ASN  48          1HB       ASN  48   4.081   7.563   7.563
  355   2HB   ASN  48          2HB       ASN  48   5.218   8.876   8.876
  356   1HD2  ASN  48          2HD2      ASN  48   1.178   9.673   9.673
  357   2HD2  ASN  48          1HD2      ASN  48   1.796   8.145   8.145
  358    H    LYS  49           H        LYS  49   4.856   6.685   6.685
  359    HA   LYS  49           HA       LYS  49   6.564   5.414   5.414
  360   1HB   LYS  49          1HB       LYS  49   7.558   8.218   8.218
  361   2HB   LYS  49          2HB       LYS  49   8.761   6.938   6.938
  362   1HG   LYS  49          1HG       LYS  49   6.095   6.796   6.796
  363   2HG   LYS  49          2HG       LYS  49   7.531   7.543   7.543
  364   1HD   LYS  49          1HD       LYS  49   8.704   5.561   5.561
  365   2HD   LYS  49          2HD       LYS  49   7.985   4.817   4.817
  366   1HE   LYS  49          1HE       LYS  49   7.294   3.659   3.659
  367   2HE   LYS  49          2HE       LYS  49   5.902   4.335   4.335
  368   1HZ   LYS  49          2HZ       LYS  49   7.153   5.655   5.655
  369   2HZ   LYS  49          3HZ       LYS  49   5.892   4.567   4.567
  370   3HZ   LYS  49          1HZ       LYS  49   5.682   6.000   6.000
  371    H    GLN  50           H        GLN  50   6.204   4.950   4.950
  372    HA   GLN  50           HA       GLN  50   8.969   4.421   4.421
  373   1HB   GLN  50          1HB       GLN  50   6.707   4.978   4.978
  374   2HB   GLN  50          2HB       GLN  50   8.403   4.666   4.666
  375   1HG   GLN  50          1HG       GLN  50   7.304   7.152   7.152
  376   2HG   GLN  50          2HG       GLN  50   7.753   7.018   7.018
  377   1HE2  GLN  50          2HE2      GLN  50  10.656   8.671   8.671
  378   2HE2  GLN  50          1HE2      GLN  50   8.987   9.029   9.029
  379    H    ASP  51           H        ASP  51   9.115   2.271   2.271
  380    HA   ASP  51           HA       ASP  51   6.998   0.487   0.487
  381   1HB   ASP  51          1HB       ASP  51   9.380   0.033   0.033
  382   2HB   ASP  51          2HB       ASP  51   9.670  -0.074  -0.074
  383    H    ILE  52           H        ILE  52   5.447   1.446   1.446
  384    HA   ILE  52           HA       ILE  52   6.075   0.897   0.897
  385    HB   ILE  52           HB       ILE  52   3.299   1.339   1.339
  386   1HG1  ILE  52          1HG1      ILE  52   5.332   3.442   3.442
  387   2HG1  ILE  52          2HG1      ILE  52   4.811   3.212   3.212
  388   1HG2  ILE  52          1HG2      ILE  52   3.482   0.497   0.497
  389   2HG2  ILE  52          2HG2      ILE  52   4.499   1.893   1.893
  390   3HG2  ILE  52          3HG2      ILE  52   2.803   2.115   2.115
  391   1HD1  ILE  52          2HD1      ILE  52   2.412   3.687   3.687
  392   2HD1  ILE  52          3HD1      ILE  52   3.152   4.226   4.226
  393   3HD1  ILE  52          1HD1      ILE  52   3.558   5.036   5.036
  394    H    GLN  53           H        GLN  53   5.710  -0.992  -0.992
  395    HA   GLN  53           HA       GLN  53   4.102  -3.102  -3.102
  396   1HB   GLN  53          1HB       GLN  53   6.824  -3.396  -3.396
  397   2HB   GLN  53          2HB       GLN  53   6.322  -3.906  -3.906
  398   1HG   GLN  53          1HG       GLN  53   4.866  -5.608  -5.608
  399   2HG   GLN  53          2HG       GLN  53   5.041  -4.868  -4.868
  400   1HE2  GLN  53          2HE2      GLN  53   7.922  -6.571  -6.571
  401   2HE2  GLN  53          1HE2      GLN  53   6.954  -5.134  -5.134
  402    H    ILE  54           H        ILE  54   2.984  -4.454  -4.454
  403    HA   ILE  54           HA       ILE  54   2.017  -2.936  -2.936
  404    HB   ILE  54           HB       ILE  54   1.311  -5.644  -5.644
  405   1HG1  ILE  54          1HG1      ILE  54  -0.312  -3.071  -3.071
  406   2HG1  ILE  54          2HG1      ILE  54   0.711  -3.460  -3.460
  407   1HG2  ILE  54          3HG2      ILE  54   0.233  -4.107  -4.107
  408   2HG2  ILE  54          1HG2      ILE  54  -0.669  -5.421  -5.421
  409   3HG2  ILE  54          2HG2      ILE  54   0.888  -5.758  -5.758
  410   1HD1  ILE  54          2HD1      ILE  54  -1.620  -5.169  -5.169
  411   2HD1  ILE  54          3HD1      ILE  54  -1.573  -4.069  -4.069
  412   3HD1  ILE  54          1HD1      ILE  54  -0.537  -5.511  -5.511
  413    H    VAL  55           H        VAL  55   3.010  -3.043  -3.043
  414    HA   VAL  55           HA       VAL  55   5.059  -5.017  -5.017
  415    HB   VAL  55           HB       VAL  55   3.646  -2.958  -2.958
  416   1HG1  VAL  55          2HG1      VAL  55   6.274  -4.484  -4.484
  417   2HG1  VAL  55          3HG1      VAL  55   5.632  -3.237  -3.237
  418   3HG1  VAL  55          1HG1      VAL  55   4.785  -4.777  -4.777
  419   1HG2  VAL  55          3HG2      VAL  55   6.277  -2.781  -2.781
  420   2HG2  VAL  55          1HG2      VAL  55   4.809  -1.850  -1.850
  421   3HG2  VAL  55          2HG2      VAL  55   5.669  -1.582  -1.582
  422    H    LYS  56           H        LYS  56   1.656  -4.255  -4.255
  423    HA   LYS  56           HA       LYS  56   1.085  -7.025  -7.025
  424   1HB   LYS  56          1HB       LYS  56   0.552  -7.189  -7.189
  425   2HB   LYS  56          2HB       LYS  56   2.233  -6.714  -6.714
  426   1HG   LYS  56          1HG       LYS  56   0.077  -4.614  -4.614
  427   2HG   LYS  56          2HG       LYS  56   0.562  -5.661  -5.661
  428   1HD   LYS  56          1HD       LYS  56   2.815  -4.886  -4.886
  429   2HD   LYS  56          2HD       LYS  56   2.586  -4.025  -4.025
  430   1HE   LYS  56          1HE       LYS  56   2.596  -2.466  -2.466
  431   2HE   LYS  56          2HE       LYS  56   1.082  -2.424  -2.424
  432   1HZ   LYS  56          3HZ       LYS  56   1.362  -3.994  -3.994
  433   2HZ   LYS  56          1HZ       LYS  56   0.815  -2.419  -2.419
  434   3HZ   LYS  56          2HZ       LYS  56  -0.005  -3.582  -3.582
  435    H    ASP  57           H        ASP  57  -1.090  -7.398  -7.398
  436    HA   ASP  57           HA       ASP  57  -3.072  -5.983  -5.983
  437   1HB   ASP  57          1HB       ASP  57  -3.418  -7.696  -7.696
  438   2HB   ASP  57          2HB       ASP  57  -4.599  -7.430  -7.430
  439    H    GLY  58           H        GLY  58  -4.592  -4.413  -4.413
  440   1HA   GLY  58          1HA       GLY  58  -5.907  -3.320  -3.320
  441   2HA   GLY  58          2HA       GLY  58  -5.191  -4.149  -4.149
  442    H    GLU  59           H        GLU  59  -5.803  -1.768  -1.768
  443    HA   GLU  59           HA       GLU  59  -4.196   0.344   0.344
  444   1HB   GLU  59          1HB       GLU  59  -5.735   0.392   0.392
  445   2HB   GLU  59          2HB       GLU  59  -5.258   1.760   1.760
  446   1HG   GLU  59          1HG       GLU  59  -6.548   0.568   0.568
  447   2HG   GLU  59          2HG       GLU  59  -7.357  -0.368  -0.368
  448    H    CYS  60           H        CYS  60  -2.379   1.358   1.358
  449    HA   CYS  60           HA       CYS  60  -0.539  -0.729  -0.729
  450   1HB   CYS  60          1HB       CYS  60  -0.162   1.525   1.525
  451   2HB   CYS  60          2HB       CYS  60   0.270   1.880   1.880

  Start of MODEL   17
    1   1H    GLU   1          3HN       GLU   1   6.748 -19.028 -19.028
    2   2H    GLU   1          1HN       GLU   1   7.726 -18.769 -18.769
    3   3H    GLU   1          2HN       GLU   1   6.074 -18.841 -18.841
    4    HA   GLU   1           HA       GLU   1   5.827 -16.805 -16.805
    5   1HB   GLU   1          1HB       GLU   1   8.043 -16.638 -16.638
    6   2HB   GLU   1          2HB       GLU   1   7.331 -15.240 -15.240
    7   1HG   GLU   1          1HG       GLU   1   6.420 -15.732 -15.732
    8   2HG   GLU   1          2HG       GLU   1   5.206 -15.577 -15.577
    9    H    LYS   2           H        LYS   2   7.334 -14.822 -14.822
   10    HA   LYS   2           HA       LYS   2   9.250 -16.048 -16.048
   11   1HB   LYS   2          1HB       LYS   2   8.617 -13.284 -13.284
   12   2HB   LYS   2          2HB       LYS   2   8.469 -14.682 -14.682
   13   1HG   LYS   2          1HG       LYS   2   6.378 -13.676 -13.676
   14   2HG   LYS   2          2HG       LYS   2   6.395 -13.400 -13.400
   15   1HD   LYS   2          1HD       LYS   2   6.192 -16.246 -16.246
   16   2HD   LYS   2          2HD       LYS   2   4.795 -15.173 -15.173
   17   1HE   LYS   2          1HE       LYS   2   5.186 -14.910 -14.910
   18   2HE   LYS   2          2HE       LYS   2   6.640 -15.923 -15.923
   19   1HZ   LYS   2          1HZ       LYS   2   3.868 -16.808 -16.808
   20   2HZ   LYS   2          2HZ       LYS   2   4.752 -17.121 -17.121
   21   3HZ   LYS   2          3HZ       LYS   2   5.218 -17.770 -17.770
   22    H    GLN   3           H        GLN   3  11.328 -14.895 -14.895
   23    HA   GLN   3           HA       GLN   3  12.494 -14.288 -14.288
   24   1HB   GLN   3          1HB       GLN   3  14.192 -12.925 -12.925
   25   2HB   GLN   3          2HB       GLN   3  14.141 -14.672 -14.672
   26   1HG   GLN   3          1HG       GLN   3  12.378 -13.308 -13.308
   27   2HG   GLN   3          2HG       GLN   3  14.093 -13.025 -13.025
   28   1HE2  GLN   3          2HE2      GLN   3  14.697 -16.238 -16.238
   29   2HE2  GLN   3          1HE2      GLN   3  15.275 -14.594 -14.594
   30    H    VAL   4           H        VAL   4  11.515 -12.005 -12.005
   31    HA   VAL   4           HA       VAL   4  11.831  -9.684  -9.684
   32    HB   VAL   4           HB       VAL   4  10.193 -10.085 -10.085
   33   1HG1  VAL   4          2HG1      VAL   4  11.425  -7.604  -7.604
   34   2HG1  VAL   4          3HG1      VAL   4  10.565  -7.641  -7.641
   35   3HG1  VAL   4          1HG1      VAL   4   9.694  -7.988  -7.988
   36   1HG2  VAL   4          3HG2      VAL   4  13.132  -9.367  -9.367
   37   2HG2  VAL   4          1HG2      VAL   4  12.516 -10.761 -10.761
   38   3HG2  VAL   4          2HG2      VAL   4  12.299  -9.137  -9.137
   39    H    PHE   5           H        PHE   5  10.360  -8.776  -8.776
   40    HA   PHE   5           HA       PHE   5   8.484 -10.551 -10.551
   41   1HB   PHE   5          1HB       PHE   5   7.831  -8.581  -8.581
   42   2HB   PHE   5          2HB       PHE   5   9.553  -8.933  -8.933
   43    HD1  PHE   5          1HD       PHE   5  11.162  -7.372  -7.372
   44    HD2  PHE   5          1HD       PHE   5   6.925  -6.535  -6.535
   45    HE1  PHE   5          1HE       PHE   5  11.611  -5.012  -5.012
   46    HE2  PHE   5          2HE       PHE   5   7.399  -4.175  -4.175
   47    HZ   PHE   5           HZ       PHE   5   9.745  -3.393  -3.393
   48    H    SER   6           H        SER   6   8.082  -7.696  -7.696
   49    HA   SER   6           HA       SER   6   5.330  -7.501  -7.501
   50   1HB   SER   6          1HB       SER   6   5.700  -6.074  -6.074
   51   2HB   SER   6          2HB       SER   6   6.390  -5.551  -5.551
   52    HG   SER   6           HG       SER   6   7.779  -7.075  -7.075
   53    H    ARG   7           H        ARG   7   3.640  -7.637  -7.637
   54    HA   ARG   7           HA       ARG   7   3.794  -9.887  -9.887
   55   1HB   ARG   7          1HB       ARG   7   1.542  -8.125  -8.125
   56   2HB   ARG   7          2HB       ARG   7   1.395  -9.070  -9.070
   57   1HG   ARG   7          1HG       ARG   7   1.752 -11.164 -11.164
   58   2HG   ARG   7          2HG       ARG   7   2.092 -10.335 -10.335
   59   1HD   ARG   7          1HD       ARG   7  -0.560 -10.194 -10.194
   60   2HD   ARG   7          2HD       ARG   7  -0.234 -11.271 -11.271
   61    HE   ARG   7           HE       ARG   7   0.468  -8.733  -8.733
   62   1HH1  ARG   7          2HH2      ARG   7  -2.696 -10.302 -10.302
   63   2HH1  ARG   7          1HH2      ARG   7  -3.505  -9.073  -9.073
   64   1HH2  ARG   7          2HH1      ARG   7  -0.705  -7.270  -7.270
   65   2HH2  ARG   7          1HH1      ARG   7  -2.482  -7.345  -7.345
   66    H    MET   8           H        MET   8   3.704  -9.443  -9.443
   67    HA   MET   8           HA       MET   8   4.548  -6.745  -6.745
   68   1HB   MET   8          1HB       MET   8   3.926  -9.304  -9.304
   69   2HB   MET   8          2HB       MET   8   4.491  -7.802  -7.802
   70   1HG   MET   8          1HG       MET   8   5.977  -9.455  -9.455
   71   2HG   MET   8          2HG       MET   8   6.293  -9.456  -9.456
   72   1HE   MET   8          2HE       MET   8   7.347  -7.326  -7.326
   73   2HE   MET   8          3HE       MET   8   6.100  -6.239  -6.239
   74   3HE   MET   8          1HE       MET   8   7.814  -5.824  -5.824
   75    HA   PRO   9           HA       PRO   9   0.091  -6.087  -6.087
   76   1HB   PRO   9          1HB       PRO   9  -0.044  -3.587  -3.587
   77   2HB   PRO   9          2HB       PRO   9   0.576  -3.917  -3.917
   78   1HG   PRO   9          1HG       PRO   9   2.240  -3.413  -3.413
   79   2HG   PRO   9          2HG       PRO   9   2.414  -2.697  -2.697
   80   1HD   PRO   9          1HD       PRO   9   3.825  -4.917  -4.917
   81   2HD   PRO   9          2HD       PRO   9   3.431  -4.652  -4.652
   82    H    ILE  10           H        ILE  10  -1.240  -6.600  -6.600
   83    HA   ILE  10           HA       ILE  10  -0.186  -7.069  -7.069
   84    HB   ILE  10           HB       ILE  10  -3.035  -7.033  -7.033
   85   1HG1  ILE  10          1HG1      ILE  10  -0.987  -9.270  -9.270
   86   2HG1  ILE  10          2HG1      ILE  10  -1.601  -8.688  -8.688
   87   1HG2  ILE  10          3HG2      ILE  10  -2.894  -6.732  -6.732
   88   2HG2  ILE  10          1HG2      ILE  10  -1.952  -8.231  -8.231
   89   3HG2  ILE  10          2HG2      ILE  10  -3.636  -8.245  -8.245
   90   1HD1  ILE  10          1HD1      ILE  10  -3.907  -9.376  -9.376
   91   2HD1  ILE  10          2HD1      ILE  10  -3.152 -10.161 -10.161
   92   3HD1  ILE  10          3HD1      ILE  10  -2.748 -10.696 -10.696
   93    H    CYS  11           H        CYS  11   0.708  -5.041  -5.041
   94    HA   CYS  11           HA       CYS  11  -1.191  -2.939  -2.939
   95   1HB   CYS  11          1HB       CYS  11   1.450  -2.687  -2.687
   96   2HB   CYS  11          2HB       CYS  11   0.582  -1.359  -1.359
   97    H    GLU  12           H        GLU  12   0.724  -1.338  -1.338
   98    HA   GLU  12           HA       GLU  12   1.905  -1.004  -1.004
   99   1HB   GLU  12          1HB       GLU  12   3.427  -2.868  -2.868
  100   2HB   GLU  12          2HB       GLU  12   3.033  -3.789  -3.789
  101   1HG   GLU  12          1HG       GLU  12   3.921  -1.912  -1.912
  102   2HG   GLU  12          2HG       GLU  12   4.249  -0.985  -0.985
  103    H    HIS  13           H        HIS  13  -0.789  -2.057  -2.057
  104    HA   HIS  13           HA       HIS  13  -1.190  -3.481  -3.481
  105   1HB   HIS  13          1HB       HIS  13  -2.383  -3.833  -3.833
  106   2HB   HIS  13          2HB       HIS  13  -3.485  -2.661  -2.661
  107    HD1  HIS  13           HD1      HIS  13  -2.362  -6.243  -6.243
  108    HD2  HIS  13           HD2      HIS  13  -4.613  -3.479  -3.479
  109    HE1  HIS  13           HE1      HIS  13  -3.583  -7.591  -7.591
  110    HE2  HIS  13           HE2      HIS  13  -4.908  -5.869  -5.869
  111    H    MET  14           H        MET  14  -1.020  -1.925  -1.925
  112    HA   MET  14           HA       MET  14  -1.765   0.830   0.830
  113   1HB   MET  14          1HB       MET  14  -1.686  -0.846  -0.846
  114   2HB   MET  14          2HB       MET  14  -1.562   0.911   0.911
  115   1HG   MET  14          1HG       MET  14   0.643   0.584   0.584
  116   2HG   MET  14          2HG       MET  14   0.510   0.200   0.200
  117   1HE   MET  14          2HE       MET  14   1.057  -1.010  -1.010
  118   2HE   MET  14          3HE       MET  14   1.075  -2.778  -2.778
  119   3HE   MET  14          1HE       MET  14  -0.451  -1.894  -1.894
  120    H    THR  15           H        THR  15  -3.704   1.684   1.684
  121    HA   THR  15           HA       THR  15  -5.826   1.964   1.964
  122    HB   THR  15           HB       THR  15  -6.509   0.677   0.677
  123    HG1  THR  15           HG1      THR  15  -4.901  -1.378  -1.378
  124   1HG2  THR  15          3HG2      THR  15  -4.535   1.987   1.987
  125   2HG2  THR  15          1HG2      THR  15  -3.507   0.562   0.562
  126   3HG2  THR  15          2HG2      THR  15  -4.677   0.546   0.546
  127    H    GLU  16           H        GLU  16  -5.625   1.226   1.226
  128    HA   GLU  16           HA       GLU  16  -7.534  -0.845  -0.845
  129   1HB   GLU  16          1HB       GLU  16  -6.494   1.532   1.532
  130   2HB   GLU  16          2HB       GLU  16  -7.368   0.139   0.139
  131   1HG   GLU  16          1HG       GLU  16  -5.134  -0.876  -0.876
  132   2HG   GLU  16          2HG       GLU  16  -4.534   0.414   0.414
  133    H    SER  17           H        SER  17  -9.625  -0.366  -0.366
  134    HA   SER  17           HA       SER  17 -11.031   1.984   1.984
  135   1HB   SER  17          1HB       SER  17 -12.563  -0.092  -0.092
  136   2HB   SER  17          2HB       SER  17 -12.946   0.828   0.828
  137    HG   SER  17           HG       SER  17 -11.138  -1.343  -1.343
  138    HA   PRO  18           HA       PRO  18 -10.002   3.449   3.449
  139   1HB   PRO  18          1HB       PRO  18 -11.024   6.025   6.025
  140   2HB   PRO  18          2HB       PRO  18  -9.411   5.503   5.503
  141   1HG   PRO  18          1HG       PRO  18 -11.948   5.749   5.749
  142   2HG   PRO  18          2HG       PRO  18 -10.315   6.360   6.360
  143   1HD   PRO  18          1HD       PRO  18 -11.206   4.073   4.073
  144   2HD   PRO  18          2HD       PRO  18  -9.527   4.145   4.145
  145    H    ASP  19           H        ASP  19 -13.154   3.018   3.018
  146    HA   ASP  19           HA       ASP  19 -14.733   3.323   3.323
  147   1HB   ASP  19          1HB       ASP  19 -14.911   1.423   1.423
  148   2HB   ASP  19          2HB       ASP  19 -16.148   1.549   1.549
  149    H    CYS  20           H        CYS  20 -12.902   2.459   2.459
  150    HA   CYS  20           HA       CYS  20 -12.360  -0.446  -0.446
  151   1HB   CYS  20          1HB       CYS  20 -11.363   1.736   1.736
  152   2HB   CYS  20          2HB       CYS  20 -10.976   0.034   0.034
  153    H    SER  21           H        SER  21 -14.769  -0.559  -0.559
  154    HA   SER  21           HA       SER  21 -16.656   0.108   0.108
  155   1HB   SER  21          1HB       SER  21 -16.275  -2.762  -2.762
  156   2HB   SER  21          2HB       SER  21 -17.814  -1.939  -1.939
  157    HG   SER  21           HG       SER  21 -17.496  -0.691  -0.691
  158    H    ARG  22           H        ARG  22 -16.132   0.517   0.517
  159    HA   ARG  22           HA       ARG  22 -15.716   0.169   0.169
  160   1HB   ARG  22          1HB       ARG  22 -17.791  -1.874  -1.874
  161   2HB   ARG  22          2HB       ARG  22 -17.519  -1.340  -1.340
  162   1HG   ARG  22          1HG       ARG  22 -18.231   0.641   0.641
  163   2HG   ARG  22          2HG       ARG  22 -19.447  -0.329  -0.329
  164   1HD   ARG  22          1HD       ARG  22 -19.376   1.783   1.783
  165   2HD   ARG  22          2HD       ARG  22 -18.803   0.568   0.568
  166    HE   ARG  22           HE       ARG  22 -16.507   1.361   1.361
  167   1HH1  ARG  22          2HH2      ARG  22 -19.072   3.732   3.732
  168   2HH1  ARG  22          1HH2      ARG  22 -18.104   5.021   5.021
  169   1HH2  ARG  22          2HH1      ARG  22 -15.372   3.148   3.148
  170   2HH2  ARG  22          1HH1      ARG  22 -16.138   4.750   4.750
  171    H    ILE  23           H        ILE  23 -13.673  -1.081  -1.081
  172    HA   ILE  23           HA       ILE  23 -13.149  -3.654  -3.654
  173    HB   ILE  23           HB       ILE  23 -11.245  -1.815  -1.815
  174   1HG1  ILE  23          1HG1      ILE  23 -12.847  -4.227  -4.227
  175   2HG1  ILE  23          2HG1      ILE  23 -13.153  -2.549  -2.549
  176   1HG2  ILE  23          1HG2      ILE  23 -10.228  -3.586  -3.586
  177   2HG2  ILE  23          2HG2      ILE  23 -11.051  -4.810  -4.810
  178   3HG2  ILE  23          3HG2      ILE  23  -9.805  -3.772  -3.772
  179   1HD1  ILE  23          2HD1      ILE  23 -10.812  -2.449  -2.449
  180   2HD1  ILE  23          3HD1      ILE  23 -10.764  -4.221  -4.221
  181   3HD1  ILE  23          1HD1      ILE  23 -12.010  -3.471  -3.471
  182    H    TYR  24           H        TYR  24 -13.950  -2.549  -2.549
  183    HA   TYR  24           HA       TYR  24 -12.135  -0.610  -0.610
  184   1HB   TYR  24          1HB       TYR  24 -14.567  -0.394  -0.394
  185   2HB   TYR  24          2HB       TYR  24 -14.649  -2.026  -2.026
  186    HD1  TYR  24           HD2      TYR  24 -12.432   0.982   0.982
  187    HD2  TYR  24           HD1      TYR  24 -15.259  -1.862  -1.862
  188    HE1  TYR  24           HE2      TYR  24 -11.976   1.773   1.773
  189    HE2  TYR  24           HE1      TYR  24 -14.781  -1.073  -1.073
  190    HH   TYR  24           HH       TYR  24 -12.367   1.425   1.425
  191    H    ASP  25           H        ASP  25 -10.221  -1.909  -1.909
  192    HA   ASP  25           HA       ASP  25 -10.045  -3.947  -3.947
  193   1HB   ASP  25          1HB       ASP  25 -10.728  -5.190  -5.190
  194   2HB   ASP  25          2HB       ASP  25  -9.296  -4.530  -4.530
  195    HA   PRO  26           HA       PRO  26  -6.868  -0.787  -0.787
  196   1HB   PRO  26          1HB       PRO  26  -6.280  -0.380  -0.380
  197   2HB   PRO  26          2HB       PRO  26  -7.398   0.565   0.565
  198   1HG   PRO  26          1HG       PRO  26  -8.033  -1.791  -1.791
  199   2HG   PRO  26          2HG       PRO  26  -8.964  -0.273  -0.273
  200   1HD   PRO  26          1HD       PRO  26  -9.762  -2.491  -2.491
  201   2HD   PRO  26          2HD       PRO  26  -9.794  -0.958  -0.958
  202    H    VAL  27           H        VAL  27  -4.584  -0.665  -0.665
  203    HA   VAL  27           HA       VAL  27  -3.230  -2.978  -2.978
  204    HB   VAL  27           HB       VAL  27  -1.961  -3.438  -3.438
  205   1HG1  VAL  27          3HG1      VAL  27  -3.913  -4.869  -4.869
  206   2HG1  VAL  27          1HG1      VAL  27  -4.931  -3.904  -3.904
  207   3HG1  VAL  27          2HG1      VAL  27  -3.589  -4.845  -4.845
  208   1HG2  VAL  27          1HG2      VAL  27  -4.040  -1.667  -1.667
  209   2HG2  VAL  27          2HG2      VAL  27  -2.295  -1.371  -1.371
  210   3HG2  VAL  27          3HG2      VAL  27  -2.915  -2.736  -2.736
  211    H    CYS  28           H        CYS  28  -1.122  -2.550  -2.550
  212    HA   CYS  28           HA       CYS  28  -0.522   0.305   0.305
  213   1HB   CYS  28          1HB       CYS  28  -0.304  -1.111  -1.111
  214   2HB   CYS  28          2HB       CYS  28   0.562  -2.301  -2.301
  215    H    GLY  29           H        GLY  29   1.066   1.440   1.440
  216   1HA   GLY  29          1HA       GLY  29   2.667  -0.058  -0.058
  217   2HA   GLY  29          2HA       GLY  29   2.576   1.682   1.682
  218    H    THR  30           H        THR  30   4.863  -0.093  -0.093
  219    HA   THR  30           HA       THR  30   6.364  -0.451  -0.451
  220    HB   THR  30           HB       THR  30   8.256   0.018   0.018
  221    HG1  THR  30           HG1      THR  30   5.939  -1.032  -1.032
  222   1HG2  THR  30          3HG2      THR  30   6.585  -2.511  -2.511
  223   2HG2  THR  30          1HG2      THR  30   8.166  -2.407  -2.407
  224   3HG2  THR  30          2HG2      THR  30   8.033  -2.056  -2.056
  225    H    ASP  31           H        ASP  31   5.639   2.526   2.526
  226    HA   ASP  31           HA       ASP  31   7.822   3.926   3.926
  227   1HB   ASP  31          1HB       ASP  31   7.334   5.821   5.821
  228   2HB   ASP  31          2HB       ASP  31   7.271   4.464   4.464
  229    H    GLY  32           H        GLY  32   4.879   2.711   2.711
  230   1HA   GLY  32          1HA       GLY  32   3.980   3.069   3.069
  231   2HA   GLY  32          2HA       GLY  32   4.577   4.727   4.727
  232    H    VAL  33           H        VAL  33   3.378   4.674   4.674
  233    HA   VAL  33           HA       VAL  33   0.900   5.937   5.937
  234    HB   VAL  33           HB       VAL  33   2.056   5.824   5.824
  235   1HG1  VAL  33          3HG1      VAL  33  -0.258   7.391   7.391
  236   2HG1  VAL  33          1HG1      VAL  33   0.400   7.618   7.618
  237   3HG1  VAL  33          2HG1      VAL  33  -0.400   6.097   6.097
  238   1HG2  VAL  33          2HG2      VAL  33   2.099   7.947   7.947
  239   2HG2  VAL  33          3HG2      VAL  33   3.500   7.127   7.127
  240   3HG2  VAL  33          1HG2      VAL  33   2.521   8.243   8.243
  241    H    THR  34           H        THR  34  -0.626   4.531   4.531
  242    HA   THR  34           HA       THR  34  -1.105   2.038   2.038
  243    HB   THR  34           HB       THR  34  -2.769   3.677   3.677
  244    HG1  THR  34           HG1      THR  34  -1.589   2.599   2.599
  245   1HG2  THR  34          2HG2      THR  34  -4.034   1.716   1.716
  246   2HG2  THR  34          3HG2      THR  34  -2.773   0.650   0.650
  247   3HG2  THR  34          1HG2      THR  34  -3.776   1.632   1.632
  248    H    TYR  35           H        TYR  35  -3.122   1.550   1.550
  249    HA   TYR  35           HA       TYR  35  -4.470   3.850   3.850
  250   1HB   TYR  35          1HB       TYR  35  -3.566   1.211   1.211
  251   2HB   TYR  35          2HB       TYR  35  -4.492   2.464   2.464
  252    HD1  TYR  35           HD2      TYR  35  -3.487   4.803   4.803
  253    HD2  TYR  35           HD1      TYR  35  -1.194   1.435   1.435
  254    HE1  TYR  35           HE2      TYR  35  -1.396   5.987   5.987
  255    HE2  TYR  35           HE1      TYR  35   0.869   2.524   2.524
  256    HH   TYR  35           HH       TYR  35   1.804   4.647   4.647
  257    H    GLU  36           H        GLU  36  -6.590   3.305   3.305
  258    HA   GLU  36           HA       GLU  36  -8.129   1.704   1.704
  259   1HB   GLU  36          1HB       GLU  36  -8.774   3.838   3.838
  260   2HB   GLU  36          2HB       GLU  36  -9.205   2.604   2.604
  261   1HG   GLU  36          1HG       GLU  36 -10.667   1.488   1.488
  262   2HG   GLU  36          2HG       GLU  36 -10.251   2.646   2.646
  263    H    SER  37           H        SER  37  -6.456   0.917   0.917
  264    HA   SER  37           HA       SER  37  -6.445  -1.724  -1.724
  265   1HB   SER  37          1HB       SER  37  -7.750  -2.696  -2.696
  266   2HB   SER  37          2HB       SER  37  -8.713  -2.121  -2.121
  267    HG   SER  37           HG       SER  37  -9.652  -1.070  -1.070
  268    H    GLU  38           H        GLU  38  -5.586  -3.046  -3.046
  269    HA   GLU  38           HA       GLU  38  -3.420  -2.209  -2.209
  270   1HB   GLU  38          1HB       GLU  38  -5.880  -3.769  -3.769
  271   2HB   GLU  38          2HB       GLU  38  -4.575  -3.435  -3.435
  272   1HG   GLU  38          1HG       GLU  38  -4.356  -5.604  -5.604
  273   2HG   GLU  38          2HG       GLU  38  -2.954  -4.574  -4.574
  274    H    CYS  39           H        CYS  39  -6.767  -1.388  -1.388
  275    HA   CYS  39           HA       CYS  39  -5.858  -0.282  -0.282
  276   1HB   CYS  39          1HB       CYS  39  -8.161  -0.708  -0.708
  277   2HB   CYS  39          2HB       CYS  39  -8.359   0.284   0.284
  278    H    LYS  40           H        LYS  40  -6.623   1.521   1.521
  279    HA   LYS  40           HA       LYS  40  -5.546   4.035   4.035
  280   1HB   LYS  40          1HB       LYS  40  -6.193   2.838   2.838
  281   2HB   LYS  40          2HB       LYS  40  -5.563   4.480   4.480
  282   1HG   LYS  40          1HG       LYS  40  -7.875   4.730   4.730
  283   2HG   LYS  40          2HG       LYS  40  -7.449   4.900   4.900
  284   1HD   LYS  40          1HD       LYS  40  -8.454   2.824   2.824
  285   2HD   LYS  40          2HD       LYS  40  -8.511   2.285   2.285
  286   1HE   LYS  40          1HE       LYS  40 -10.742   2.943   2.943
  287   2HE   LYS  40          2HE       LYS  40 -10.181   4.005   4.005
  288   1HZ   LYS  40          2HZ       LYS  40  -9.599   5.617   5.617
  289   2HZ   LYS  40          3HZ       LYS  40 -10.466   4.617   4.617
  290   3HZ   LYS  40          1HZ       LYS  40 -11.181   5.305   5.305
  291    H    LEU  41           H        LEU  41  -3.956   1.126   1.126
  292    HA   LEU  41           HA       LEU  41  -1.479   2.537   2.537
  293   1HB   LEU  41          1HB       LEU  41  -2.073   0.314   0.314
  294   2HB   LEU  41          2HB       LEU  41  -1.885  -0.426  -0.426
  295    HG   LEU  41           HG       LEU  41   0.410   1.184   1.184
  296   1HD1  LEU  41          1HD1      LEU  41  -0.308  -1.697  -1.697
  297   2HD1  LEU  41          2HD1      LEU  41   1.251  -0.941  -0.941
  298   3HD1  LEU  41          3HD1      LEU  41  -0.231  -0.376  -0.376
  299   1HD2  LEU  41          2HD2      LEU  41   0.269  -1.296  -1.296
  300   2HD2  LEU  41          3HD2      LEU  41   0.619   0.343   0.343
  301   3HD2  LEU  41          1HD2      LEU  41   1.751  -0.463  -0.463
  302    H    CYS  42           H        CYS  42  -2.700   0.633   0.633
  303    HA   CYS  42           HA       CYS  42  -0.435   0.821   0.821
  304   1HB   CYS  42          1HB       CYS  42  -3.336   0.583   0.583
  305   2HB   CYS  42          2HB       CYS  42  -1.881   0.228   0.228
  306    H    LEU  43           H        LEU  43  -3.356   2.842   2.842
  307    HA   LEU  43           HA       LEU  43  -2.778   4.745   4.745
  308   1HB   LEU  43          1HB       LEU  43  -4.151   4.738   4.738
  309   2HB   LEU  43          2HB       LEU  43  -3.978   6.279   6.279
  310    HG   LEU  43           HG       LEU  43  -5.208   3.916   3.916
  311   1HD1  LEU  43          3HD1      LEU  43  -6.609   5.871   5.871
  312   2HD1  LEU  43          1HD1      LEU  43  -7.449   4.930   4.930
  313   3HD1  LEU  43          2HD1      LEU  43  -6.636   4.092   4.092
  314   1HD2  LEU  43          1HD2      LEU  43  -4.530   5.943   5.943
  315   2HD2  LEU  43          2HD2      LEU  43  -6.288   5.726   5.726
  316   3HD2  LEU  43          3HD2      LEU  43  -5.544   6.943   6.943
  317    H    ALA  44           H        ALA  44  -1.844   5.041   5.041
  318    HA   ALA  44           HA       ALA  44  -0.153   7.269   7.269
  319   1HB   ALA  44          1HB       ALA  44  -0.030   5.230   5.230
  320   2HB   ALA  44          2HB       ALA  44   0.886   6.750   6.750
  321   3HB   ALA  44          1HB       ALA  44  -0.884   6.795   6.795
  322    H    ARG  45           H        ARG  45   0.549   3.820   3.820
  323    HA   ARG  45           HA       ARG  45   3.355   3.862   3.862
  324   1HB   ARG  45          1HB       ARG  45   1.693   1.921   1.921
  325   2HB   ARG  45          2HB       ARG  45   1.536   1.922   1.922
  326   1HG   ARG  45          1HG       ARG  45   3.999   1.486   1.486
  327   2HG   ARG  45          2HG       ARG  45   4.047   1.483   1.483
  328   1HD   ARG  45          1HD       ARG  45   2.014  -0.277  -0.277
  329   2HD   ARG  45          2HD       ARG  45   2.800  -0.524  -0.524
  330    HE   ARG  45           HE       ARG  45   3.754  -1.208  -1.208
  331   1HH1  ARG  45          2HH2      ARG  45   4.782  -0.904  -0.904
  332   2HH1  ARG  45          1HH2      ARG  45   6.107  -2.020  -2.020
  333   1HH2  ARG  45          2HH1      ARG  45   5.381  -2.699  -2.699
  334   2HH2  ARG  45          1HH1      ARG  45   6.624  -2.768  -2.768
  335    H    ILE  46           H        ILE  46   0.833   4.035   4.035
  336    HA   ILE  46           HA       ILE  46   2.790   4.208   4.208
  337    HB   ILE  46           HB       ILE  46  -0.170   4.702   4.702
  338   1HG1  ILE  46          1HG1      ILE  46   1.428   2.494   2.494
  339   2HG1  ILE  46          2HG1      ILE  46   0.822   2.328   2.328
  340   1HG2  ILE  46          2HG2      ILE  46   1.615   4.672   4.672
  341   2HG2  ILE  46          3HG2      ILE  46  -0.161   4.739   4.739
  342   3HG2  ILE  46          1HG2      ILE  46   0.748   6.086   6.086
  343   1HD1  ILE  46          1HD1      ILE  46  -1.003   2.756   2.756
  344   2HD1  ILE  46          2HD1      ILE  46  -0.621   1.216   1.216
  345   3HD1  ILE  46          3HD1      ILE  46  -1.483   2.467   2.467
  346    H    GLU  47           H        GLU  47   0.636   6.641   6.641
  347    HA   GLU  47           HA       GLU  47   1.508   8.782   8.782
  348   1HB   GLU  47          1HB       GLU  47   0.155   8.569   8.569
  349   2HB   GLU  47          2HB       GLU  47   0.763  10.128  10.128
  350   1HG   GLU  47          1HG       GLU  47  -1.467   9.974   9.974
  351   2HG   GLU  47          2HG       GLU  47  -0.476   9.796   9.796
  352    H    ASN  48           H        ASN  48   2.706   7.748   7.748
  353    HA   ASN  48           HA       ASN  48   4.878   9.652   9.652
  354   1HB   ASN  48          1HB       ASN  48   4.468   7.067   7.067
  355   2HB   ASN  48          2HB       ASN  48   5.736   8.244   8.244
  356   1HD2  ASN  48          2HD2      ASN  48   1.946   9.263   9.263
  357   2HD2  ASN  48          1HD2      ASN  48   2.144   8.113   8.113
  358    H    LYS  49           H        LYS  49   4.475   6.560   6.560
  359    HA   LYS  49           HA       LYS  49   5.872   5.186   5.186
  360   1HB   LYS  49          1HB       LYS  49   6.858   7.888   7.888
  361   2HB   LYS  49          2HB       LYS  49   8.091   6.672   6.672
  362   1HG   LYS  49          1HG       LYS  49   7.025   5.587   5.587
  363   2HG   LYS  49          2HG       LYS  49   5.410   6.032   6.032
  364   1HD   LYS  49          1HD       LYS  49   7.427   8.056   8.056
  365   2HD   LYS  49          2HD       LYS  49   6.368   7.130   7.130
  366   1HE   LYS  49          1HE       LYS  49   5.421   9.057   9.057
  367   2HE   LYS  49          2HE       LYS  49   5.429   9.361   9.361
  368   1HZ   LYS  49          3HZ       LYS  49   3.870   7.439   7.439
  369   2HZ   LYS  49          1HZ       LYS  49   3.830   7.356   7.356
  370   3HZ   LYS  49          2HZ       LYS  49   3.260   8.687   8.687
  371    H    GLN  50           H        GLN  50   5.873   4.922   4.922
  372    HA   GLN  50           HA       GLN  50   8.708   4.378   4.378
  373   1HB   GLN  50          1HB       GLN  50   6.116   4.822   4.822
  374   2HB   GLN  50          2HB       GLN  50   7.515   4.037   4.037
  375   1HG   GLN  50          1HG       GLN  50   8.904   6.002   6.002
  376   2HG   GLN  50          2HG       GLN  50   7.583   6.824   6.824
  377   1HE2  GLN  50          2HE2      GLN  50   7.128   8.222   8.222
  378   2HE2  GLN  50          1HE2      GLN  50   8.028   8.483   8.483
  379    H    ASP  51           H        ASP  51   8.975   2.374   2.374
  380    HA   ASP  51           HA       ASP  51   7.444   0.081   0.081
  381   1HB   ASP  51          1HB       ASP  51   9.907   0.032   0.032
  382   2HB   ASP  51          2HB       ASP  51  10.188   0.151   0.151
  383    H    ILE  52           H        ILE  52   5.777   0.918   0.918
  384    HA   ILE  52           HA       ILE  52   6.364   0.737   0.737
  385    HB   ILE  52           HB       ILE  52   3.710   1.033   1.033
  386   1HG1  ILE  52          1HG1      ILE  52   5.438   3.146   3.146
  387   2HG1  ILE  52          2HG1      ILE  52   5.394   2.885   2.885
  388   1HG2  ILE  52          2HG2      ILE  52   3.454   0.151   0.151
  389   2HG2  ILE  52          3HG2      ILE  52   4.431   1.502   1.502
  390   3HG2  ILE  52          1HG2      ILE  52   2.850   1.790   1.790
  391   1HD1  ILE  52          3HD1      ILE  52   2.865   3.264   3.264
  392   2HD1  ILE  52          1HD1      ILE  52   3.145   3.888   3.888
  393   3HD1  ILE  52          2HD1      ILE  52   3.913   4.672   4.672
  394    H    GLN  53           H        GLN  53   6.241  -1.032  -1.032
  395    HA   GLN  53           HA       GLN  53   4.958  -3.575  -3.575
  396   1HB   GLN  53          1HB       GLN  53   7.488  -3.020  -3.020
  397   2HB   GLN  53          2HB       GLN  53   6.563  -4.138  -4.138
  398   1HG   GLN  53          1HG       GLN  53   7.660  -5.283  -5.283
  399   2HG   GLN  53          2HG       GLN  53   5.966  -5.489  -5.489
  400   1HE2  GLN  53          2HE2      GLN  53   8.037  -3.064  -3.064
  401   2HE2  GLN  53          1HE2      GLN  53   8.666  -3.202  -3.202
  402    H    ILE  54           H        ILE  54   3.719  -4.763  -4.763
  403    HA   ILE  54           HA       ILE  54   2.255  -3.039  -3.039
  404    HB   ILE  54           HB       ILE  54   1.600  -5.695  -5.695
  405   1HG1  ILE  54          1HG1      ILE  54   0.201  -2.979  -2.979
  406   2HG1  ILE  54          2HG1      ILE  54   1.245  -3.536  -3.536
  407   1HG2  ILE  54          1HG2      ILE  54   0.152  -4.233  -4.233
  408   2HG2  ILE  54          2HG2      ILE  54  -0.502  -5.620  -5.620
  409   3HG2  ILE  54          3HG2      ILE  54   0.913  -5.829  -5.829
  410   1HD1  ILE  54          2HD1      ILE  54  -0.315  -5.450  -5.450
  411   2HD1  ILE  54          3HD1      ILE  54  -1.410  -4.762  -4.762
  412   3HD1  ILE  54          1HD1      ILE  54  -1.086  -3.870  -3.870
  413    H    VAL  55           H        VAL  55   2.902  -3.072  -3.072
  414    HA   VAL  55           HA       VAL  55   4.805  -5.082  -5.082
  415    HB   VAL  55           HB       VAL  55   3.313  -3.041  -3.041
  416   1HG1  VAL  55          2HG1      VAL  55   4.580  -4.749  -4.749
  417   2HG1  VAL  55          3HG1      VAL  55   6.043  -4.333  -4.333
  418   3HG1  VAL  55          1HG1      VAL  55   5.292  -3.142  -3.142
  419   1HG2  VAL  55          1HG2      VAL  55   5.837  -2.610  -2.610
  420   2HG2  VAL  55          2HG2      VAL  55   4.288  -1.767  -1.767
  421   3HG2  VAL  55          3HG2      VAL  55   5.239  -1.524  -1.524
  422    H    LYS  56           H        LYS  56   1.325  -4.352  -4.352
  423    HA   LYS  56           HA       LYS  56   0.706  -6.884  -6.884
  424   1HB   LYS  56          1HB       LYS  56   0.017  -5.858  -5.858
  425   2HB   LYS  56          2HB       LYS  56   1.756  -5.949  -5.949
  426   1HG   LYS  56          1HG       LYS  56   1.452  -3.476  -3.476
  427   2HG   LYS  56          2HG       LYS  56  -0.032  -3.487  -3.487
  428   1HD   LYS  56          1HD       LYS  56   2.823  -4.164  -4.164
  429   2HD   LYS  56          2HD       LYS  56   2.169  -2.572  -2.572
  430   1HE   LYS  56          1HE       LYS  56   0.986  -5.041  -5.041
  431   2HE   LYS  56          2HE       LYS  56   2.170  -3.970  -3.970
  432   1HZ   LYS  56          2HZ       LYS  56  -0.578  -3.183  -3.183
  433   2HZ   LYS  56          3HZ       LYS  56  -0.020  -3.641  -3.641
  434   3HZ   LYS  56          1HZ       LYS  56   0.543  -2.287  -2.287
  435    H    ASP  57           H        ASP  57  -1.602  -7.036  -7.036
  436    HA   ASP  57           HA       ASP  57  -3.262  -5.476  -5.476
  437   1HB   ASP  57          1HB       ASP  57  -4.052  -7.450  -7.450
  438   2HB   ASP  57          2HB       ASP  57  -5.140  -6.695  -6.695
  439    H    GLY  58           H        GLY  58  -4.692  -3.904  -3.904
  440   1HA   GLY  58          1HA       GLY  58  -5.728  -2.335  -2.335
  441   2HA   GLY  58          2HA       GLY  58  -5.409  -3.290  -3.290
  442    H    GLU  59           H        GLU  59  -5.033  -1.218  -1.218
  443    HA   GLU  59           HA       GLU  59  -3.140   0.676   0.676
  444   1HB   GLU  59          1HB       GLU  59  -3.983  -0.130  -0.130
  445   2HB   GLU  59          2HB       GLU  59  -3.123   1.351   1.351
  446   1HG   GLU  59          1HG       GLU  59  -5.889   0.575   0.575
  447   2HG   GLU  59          2HG       GLU  59  -5.582   1.637   1.637
  448    H    CYS  60           H        CYS  60  -1.075   1.208   1.208
  449    HA   CYS  60           HA       CYS  60   0.752  -1.087  -1.087
  450   1HB   CYS  60          1HB       CYS  60   1.219   1.936   1.936
  451   2HB   CYS  60          2HB       CYS  60   2.501   0.730   0.730

  Start of MODEL   18
    1   1H    GLU   1          1HN       GLU   1  18.160  -9.365  -9.365
    2   2H    GLU   1          2HN       GLU   1  17.339 -10.036 -10.036
    3   3H    GLU   1          3HN       GLU   1  18.182 -10.991 -10.991
    4    HA   GLU   1           HA       GLU   1  16.857 -10.587 -10.587
    5   1HB   GLU   1          1HB       GLU   1  14.859 -11.034 -11.034
    6   2HB   GLU   1          2HB       GLU   1  14.793 -11.596 -11.596
    7   1HG   GLU   1          1HG       GLU   1  16.567 -12.602 -12.602
    8   2HG   GLU   1          2HG       GLU   1  15.402 -13.492 -13.492
    9    H    LYS   2           H        LYS   2  15.359  -8.730  -8.730
   10    HA   LYS   2           HA       LYS   2  13.903  -7.049  -7.049
   11   1HB   LYS   2          1HB       LYS   2  15.114  -6.288  -6.288
   12   2HB   LYS   2          2HB       LYS   2  13.583  -5.610  -5.610
   13   1HG   LYS   2          1HG       LYS   2  15.567  -4.243  -4.243
   14   2HG   LYS   2          2HG       LYS   2  14.505  -4.615  -4.615
   15   1HD   LYS   2          1HD       LYS   2  15.970  -6.266  -6.266
   16   2HD   LYS   2          2HD       LYS   2  16.966  -6.318  -6.318
   17   1HE   LYS   2          1HE       LYS   2  16.712  -3.857  -3.857
   18   2HE   LYS   2          2HE       LYS   2  17.909  -5.129  -5.129
   19   1HZ   LYS   2          3HZ       LYS   2  18.768  -4.648  -4.648
   20   2HZ   LYS   2          1HZ       LYS   2  17.731  -3.409  -3.409
   21   3HZ   LYS   2          2HZ       LYS   2  18.844  -3.350  -3.350
   22    H    GLN   3           H        GLN   3  13.666  -8.344  -8.344
   23    HA   GLN   3           HA       GLN   3  11.200  -7.961  -7.961
   24   1HB   GLN   3          1HB       GLN   3  11.050  -9.848  -9.848
   25   2HB   GLN   3          2HB       GLN   3  12.658  -9.125  -9.125
   26   1HG   GLN   3          1HG       GLN   3  13.621 -10.961 -10.961
   27   2HG   GLN   3          2HG       GLN   3  12.031 -11.627 -11.627
   28   1HE2  GLN   3          2HE2      GLN   3  13.241 -12.021 -12.021
   29   2HE2  GLN   3          1HE2      GLN   3  13.903 -10.726 -10.726
   30    H    VAL   4           H        VAL   4  11.854 -10.684 -10.684
   31    HA   VAL   4           HA       VAL   4   9.305 -11.849 -11.849
   32    HB   VAL   4           HB       VAL   4  11.274 -11.669 -11.669
   33   1HG1  VAL   4          2HG1      VAL   4   9.071 -13.693 -13.693
   34   2HG1  VAL   4          3HG1      VAL   4  10.258 -13.829 -13.829
   35   3HG1  VAL   4          1HG1      VAL   4   9.070 -12.526 -12.526
   36   1HG2  VAL   4          2HG2      VAL   4  11.037 -13.631 -13.631
   37   2HG2  VAL   4          3HG2      VAL   4  12.431 -12.587 -12.587
   38   3HG2  VAL   4          1HG2      VAL   4  12.028 -13.919 -13.919
   39    H    PHE   5           H        PHE   5  10.462  -9.000  -9.000
   40    HA   PHE   5           HA       PHE   5   8.166  -8.860  -8.860
   41   1HB   PHE   5          1HB       PHE   5   9.266  -7.253  -7.253
   42   2HB   PHE   5          2HB       PHE   5  10.613  -7.597  -7.597
   43    HD1  PHE   5          1HD       PHE   5  10.487  -6.252  -6.252
   44    HD2  PHE   5          1HD       PHE   5   8.518  -5.054  -5.054
   45    HE1  PHE   5          2HE       PHE   5  10.524  -3.902  -3.902
   46    HE2  PHE   5          1HE       PHE   5   8.509  -2.717  -2.717
   47    HZ   PHE   5           HZ       PHE   5   9.503  -2.126  -2.126
   48    H    SER   6           H        SER   6   8.758  -7.919  -7.919
   49    HA   SER   6           HA       SER   6   6.311  -6.240  -6.240
   50   1HB   SER   6          1HB       SER   6   7.598  -5.512  -5.512
   51   2HB   SER   6          2HB       SER   6   8.172  -4.968  -4.968
   52    HG   SER   6           HG       SER   6   9.165  -7.352  -7.352
   53    H    ARG   7           H        ARG   7   5.312  -6.365  -6.365
   54    HA   ARG   7           HA       ARG   7   5.336  -9.097  -9.097
   55   1HB   ARG   7          1HB       ARG   7   2.905  -7.552  -7.552
   56   2HB   ARG   7          2HB       ARG   7   2.887  -9.012  -9.012
   57   1HG   ARG   7          1HG       ARG   7   3.658 -10.379 -10.379
   58   2HG   ARG   7          2HG       ARG   7   4.155  -9.035  -9.035
   59   1HD   ARG   7          1HD       ARG   7   2.016 -10.117 -10.117
   60   2HD   ARG   7          2HD       ARG   7   1.976  -8.367  -8.367
   61    HE   ARG   7           HE       ARG   7   1.027  -9.074  -9.074
   62   1HH1  ARG   7          2HH2      ARG   7   0.058 -10.520 -10.520
   63   2HH1  ARG   7          1HH2      ARG   7  -1.508  -9.768  -9.768
   64   1HH2  ARG   7          2HH1      ARG   7  -1.195  -8.524  -8.524
   65   2HH2  ARG   7          1HH1      ARG   7  -2.277  -8.715  -8.715
   66    H    MET   8           H        MET   8   5.088  -8.864  -8.864
   67    HA   MET   8           HA       MET   8   4.593  -6.263  -6.263
   68   1HB   MET   8          1HB       MET   8   4.293  -9.059  -9.059
   69   2HB   MET   8          2HB       MET   8   4.329  -7.540  -7.540
   70   1HG   MET   8          1HG       MET   8   6.592  -8.887  -8.887
   71   2HG   MET   8          2HG       MET   8   6.465  -8.561  -8.561
   72   1HE   MET   8          1HE       MET   8   6.564  -6.067  -6.067
   73   2HE   MET   8          2HE       MET   8   5.406  -5.423  -5.423
   74   3HE   MET   8          3HE       MET   8   6.986  -4.646  -4.646
   75    HA   PRO   9           HA       PRO   9   0.032  -6.876  -6.876
   76   1HB   PRO   9          1HB       PRO   9  -0.581  -4.356  -4.356
   77   2HB   PRO   9          2HB       PRO   9  -0.474  -4.778  -4.778
   78   1HG   PRO   9          1HG       PRO   9   1.492  -3.276  -3.276
   79   2HG   PRO   9          2HG       PRO   9   1.182  -3.162  -3.162
   80   1HD   PRO   9          1HD       PRO   9   3.356  -4.490  -4.490
   81   2HD   PRO   9          2HD       PRO   9   2.627  -4.790  -4.790
   82    H    ILE  10           H        ILE  10  -0.976  -7.606  -7.606
   83    HA   ILE  10           HA       ILE  10   0.792  -7.845  -7.845
   84    HB   ILE  10           HB       ILE  10  -1.921  -9.109  -9.109
   85   1HG1  ILE  10          1HG1      ILE  10  -0.588  -9.718  -9.718
   86   2HG1  ILE  10          2HG1      ILE  10  -0.646 -11.072 -11.072
   87   1HG2  ILE  10          2HG2      ILE  10   0.412  -9.854  -9.854
   88   2HG2  ILE  10          3HG2      ILE  10  -0.996 -10.876 -10.876
   89   3HG2  ILE  10          1HG2      ILE  10  -1.193  -9.317  -9.317
   90   1HD1  ILE  10          3HD1      ILE  10   1.678 -10.394 -10.394
   91   2HD1  ILE  10          1HD1      ILE  10   1.681  -9.118  -9.118
   92   3HD1  ILE  10          2HD1      ILE  10   1.606 -10.804 -10.804
   93    H    CYS  11           H        CYS  11   0.537  -5.459  -5.459
   94    HA   CYS  11           HA       CYS  11  -1.964  -4.291  -4.291
   95   1HB   CYS  11          1HB       CYS  11   0.867  -3.285  -3.285
   96   2HB   CYS  11          2HB       CYS  11  -0.591  -2.313  -2.313
   97    H    GLU  12           H        GLU  12  -2.871  -5.462  -5.462
   98    HA   GLU  12           HA       GLU  12  -2.128  -4.594  -4.594
   99   1HB   GLU  12          1HB       GLU  12  -0.893  -6.772  -6.772
  100   2HB   GLU  12          2HB       GLU  12  -2.424  -7.576  -7.576
  101   1HG   GLU  12          1HG       GLU  12  -3.257  -7.154  -7.154
  102   2HG   GLU  12          2HG       GLU  12  -1.868  -6.115  -6.115
  103    H    HIS  13           H        HIS  13  -3.960  -4.877  -4.877
  104    HA   HIS  13           HA       HIS  13  -6.477  -6.004  -6.004
  105   1HB   HIS  13          1HB       HIS  13  -6.202  -2.998  -2.998
  106   2HB   HIS  13          2HB       HIS  13  -7.700  -3.881  -3.881
  107    HD1  HIS  13           HD1      HIS  13  -6.960  -1.456  -1.456
  108    HD2  HIS  13           HD2      HIS  13  -7.392  -5.607  -5.607
  109    HE1  HIS  13           HE1      HIS  13  -7.521  -1.774  -1.774
  110    HE2  HIS  13           HE2      HIS  13  -7.678  -4.321  -4.321
  111    H    MET  14           H        MET  14  -7.891  -5.848  -5.848
  112    HA   MET  14           HA       MET  14  -6.048  -5.985  -5.985
  113   1HB   MET  14          1HB       MET  14  -8.701  -7.390  -7.390
  114   2HB   MET  14          2HB       MET  14  -7.616  -7.514  -7.514
  115   1HG   MET  14          1HG       MET  14  -5.796  -8.182  -8.182
  116   2HG   MET  14          2HG       MET  14  -7.181  -8.448  -8.448
  117   1HE   MET  14          1HE       MET  14  -6.611  -9.284  -9.284
  118   2HE   MET  14          2HE       MET  14  -5.092  -9.723  -9.723
  119   3HE   MET  14          3HE       MET  14  -6.136 -10.988 -10.988
  120    H    THR  15           H        THR  15  -9.132  -4.717  -4.717
  121    HA   THR  15           HA       THR  15  -9.387  -3.034  -3.034
  122    HB   THR  15           HB       THR  15 -11.266  -4.477  -4.477
  123    HG1  THR  15           HG1      THR  15 -11.207  -4.369  -4.369
  124   1HG2  THR  15          1HG2      THR  15 -11.808  -1.485  -1.485
  125   2HG2  THR  15          2HG2      THR  15 -12.991  -2.729  -2.729
  126   3HG2  THR  15          3HG2      THR  15 -11.616  -2.425  -2.425
  127    H    GLU  16           H        GLU  16  -8.952  -0.865  -0.865
  128    HA   GLU  16           HA       GLU  16  -7.246   0.091   0.091
  129   1HB   GLU  16          1HB       GLU  16  -9.134   1.414   1.414
  130   2HB   GLU  16          2HB       GLU  16  -8.473   2.447   2.447
  131   1HG   GLU  16          1HG       GLU  16  -6.712   0.741   0.741
  132   2HG   GLU  16          2HG       GLU  16  -7.092   2.448   2.448
  133    H    SER  17           H        SER  17 -10.640   1.265   1.265
  134    HA   SER  17           HA       SER  17 -11.567   2.485   2.485
  135   1HB   SER  17          1HB       SER  17 -11.634  -0.458  -0.458
  136   2HB   SER  17          2HB       SER  17 -12.144   0.471   0.471
  137    HG   SER  17           HG       SER  17 -13.590   1.566   1.566
  138    HA   PRO  18           HA       PRO  18  -8.078   2.985   2.985
  139   1HB   PRO  18          1HB       PRO  18  -7.798   5.645   5.645
  140   2HB   PRO  18          2HB       PRO  18  -7.215   4.647   4.647
  141   1HG   PRO  18          1HG       PRO  18  -9.879   6.098   6.098
  142   2HG   PRO  18          2HG       PRO  18  -8.663   6.198   6.198
  143   1HD   PRO  18          1HD       PRO  18 -10.803   4.511   4.511
  144   2HD   PRO  18          2HD       PRO  18  -9.221   4.020   4.020
  145    H    ASP  19           H        ASP  19 -10.263   2.067   2.067
  146    HA   ASP  19           HA       ASP  19 -11.939   4.103   4.103
  147   1HB   ASP  19          1HB       ASP  19 -12.591   1.446   1.446
  148   2HB   ASP  19          2HB       ASP  19 -13.733   2.378   2.378
  149    H    CYS  20           H        CYS  20 -10.697   3.872   3.872
  150    HA   CYS  20           HA       CYS  20 -10.682   1.289   1.289
  151   1HB   CYS  20          1HB       CYS  20 -10.649   4.122   4.122
  152   2HB   CYS  20          2HB       CYS  20 -10.380   2.606   2.606
  153    H    SER  21           H        SER  21 -12.467   0.214   0.214
  154    HA   SER  21           HA       SER  21 -15.001   1.590   1.590
  155   1HB   SER  21          1HB       SER  21 -14.540  -0.736  -0.736
  156   2HB   SER  21          2HB       SER  21 -14.489  -1.298  -1.298
  157    HG   SER  21           HG       SER  21 -16.510  -1.627  -1.627
  158    H    ARG  22           H        ARG  22 -16.533   0.296   0.296
  159    HA   ARG  22           HA       ARG  22 -16.130   2.120   2.120
  160   1HB   ARG  22          1HB       ARG  22 -18.393   0.199   0.199
  161   2HB   ARG  22          2HB       ARG  22 -18.412   1.341   1.341
  162   1HG   ARG  22          1HG       ARG  22 -19.302   2.838   2.838
  163   2HG   ARG  22          2HG       ARG  22 -17.751   3.015   3.015
  164   1HD   ARG  22          1HD       ARG  22 -19.940   1.022   1.022
  165   2HD   ARG  22          2HD       ARG  22 -19.837   2.638   2.638
  166    HE   ARG  22           HE       ARG  22 -18.131   0.322   0.322
  167   1HH1  ARG  22          2HH2      ARG  22 -18.121   3.872   3.872
  168   2HH1  ARG  22          1HH2      ARG  22 -16.978   3.913   3.913
  169   1HH2  ARG  22          2HH1      ARG  22 -16.808   0.509   0.509
  170   2HH2  ARG  22          1HH1      ARG  22 -16.390   2.097   2.097
  171    H    ILE  23           H        ILE  23 -14.234  -0.046  -0.046
  172    HA   ILE  23           HA       ILE  23 -14.898  -2.055  -2.055
  173    HB   ILE  23           HB       ILE  23 -12.521  -1.515  -1.515
  174   1HG1  ILE  23          1HG1      ILE  23 -14.732  -2.065  -2.065
  175   2HG1  ILE  23          2HG1      ILE  23 -13.330  -3.022  -3.022
  176   1HG2  ILE  23          3HG2      ILE  23 -13.108  -3.951  -3.951
  177   2HG2  ILE  23          1HG2      ILE  23 -11.883  -3.882  -3.882
  178   3HG2  ILE  23          2HG2      ILE  23 -11.749  -2.821  -2.821
  179   1HD1  ILE  23          2HD1      ILE  23 -15.582  -3.818  -3.818
  180   2HD1  ILE  23          3HD1      ILE  23 -15.406  -4.367  -4.367
  181   3HD1  ILE  23          1HD1      ILE  23 -14.215  -4.857  -4.857
  182    H    TYR  24           H        TYR  24 -14.100  -1.899  -1.899
  183    HA   TYR  24           HA       TYR  24 -11.937   0.076   0.076
  184   1HB   TYR  24          1HB       TYR  24 -13.924   0.849   0.849
  185   2HB   TYR  24          2HB       TYR  24 -14.344  -0.776  -0.776
  186    HD1  TYR  24           HD2      TYR  24 -11.406   1.600   1.600
  187    HD2  TYR  24           HD1      TYR  24 -13.826  -1.403  -1.403
  188    HE1  TYR  24           HE2      TYR  24 -10.063   1.840   1.840
  189    HE2  TYR  24           HE1      TYR  24 -12.503  -1.137  -1.137
  190    HH   TYR  24           HH       TYR  24  -9.723   1.088   1.088
  191    H    ASP  25           H        ASP  25 -10.249  -1.341  -1.341
  192    HA   ASP  25           HA       ASP  25 -10.263  -3.821  -3.821
  193   1HB   ASP  25          1HB       ASP  25 -11.089  -4.280  -4.280
  194   2HB   ASP  25          2HB       ASP  25  -9.436  -3.933  -3.933
  195    HA   PRO  26           HA       PRO  26  -6.968  -0.739  -0.739
  196   1HB   PRO  26          1HB       PRO  26  -6.352  -0.310  -0.310
  197   2HB   PRO  26          2HB       PRO  26  -7.832   0.334   0.334
  198   1HG   PRO  26          1HG       PRO  26  -7.569  -2.257  -2.257
  199   2HG   PRO  26          2HG       PRO  26  -8.759  -0.962  -0.962
  200   1HD   PRO  26          1HD       PRO  26  -9.355  -3.138  -3.138
  201   2HD   PRO  26          2HD       PRO  26  -9.903  -1.523  -1.523
  202    H    VAL  27           H        VAL  27  -4.664  -0.551  -0.551
  203    HA   VAL  27           HA       VAL  27  -3.272  -2.909  -2.909
  204    HB   VAL  27           HB       VAL  27  -1.946  -3.210  -3.210
  205   1HG1  VAL  27          3HG1      VAL  27  -4.072  -4.592  -4.592
  206   2HG1  VAL  27          1HG1      VAL  27  -4.869  -3.523  -3.523
  207   3HG1  VAL  27          2HG1      VAL  27  -3.478  -4.508  -4.508
  208   1HG2  VAL  27          1HG2      VAL  27  -2.284  -0.923  -0.923
  209   2HG2  VAL  27          2HG2      VAL  27  -2.598  -2.220  -2.220
  210   3HG2  VAL  27          3HG2      VAL  27  -3.955  -1.364  -1.364
  211    H    CYS  28           H        CYS  28  -1.008  -2.511  -2.511
  212    HA   CYS  28           HA       CYS  28  -0.359   0.401   0.401
  213   1HB   CYS  28          1HB       CYS  28  -0.356  -0.948  -0.948
  214   2HB   CYS  28          2HB       CYS  28   0.830  -2.057  -2.057
  215    H    GLY  29           H        GLY  29   0.973   1.192   1.192
  216   1HA   GLY  29          1HA       GLY  29   2.371  -0.606  -0.606
  217   2HA   GLY  29          2HA       GLY  29   2.380   1.156   1.156
  218    H    THR  30           H        THR  30   4.734  -0.530  -0.530
  219    HA   THR  30           HA       THR  30   6.439  -0.305  -0.305
  220    HB   THR  30           HB       THR  30   8.256  -0.453  -0.453
  221    HG1  THR  30           HG1      THR  30   7.151   0.280   0.280
  222   1HG2  THR  30          3HG2      THR  30   7.418  -2.412  -2.412
  223   2HG2  THR  30          1HG2      THR  30   6.133  -2.639  -2.639
  224   3HG2  THR  30          2HG2      THR  30   7.852  -2.795  -2.795
  225    H    ASP  31           H        ASP  31   5.113   2.088   2.088
  226    HA   ASP  31           HA       ASP  31   7.245   4.034   4.034
  227   1HB   ASP  31          1HB       ASP  31   5.805   5.538   5.538
  228   2HB   ASP  31          2HB       ASP  31   5.627   4.032   4.032
  229    H    GLY  32           H        GLY  32   4.492   2.687   2.687
  230   1HA   GLY  32          1HA       GLY  32   4.287   2.825   2.825
  231   2HA   GLY  32          2HA       GLY  32   5.064   4.415   4.415
  232    H    VAL  33           H        VAL  33   2.781   4.217   4.217
  233    HA   VAL  33           HA       VAL  33   0.866   5.828   5.828
  234    HB   VAL  33           HB       VAL  33   1.228   5.235   5.235
  235   1HG1  VAL  33          3HG1      VAL  33  -1.047   6.750   6.750
  236   2HG1  VAL  33          1HG1      VAL  33  -0.612   6.836   6.836
  237   3HG1  VAL  33          2HG1      VAL  33  -1.151   5.306   5.306
  238   1HG2  VAL  33          1HG2      VAL  33   2.720   6.949   6.949
  239   2HG2  VAL  33          2HG2      VAL  33   1.648   7.656   7.656
  240   3HG2  VAL  33          3HG2      VAL  33   1.275   7.842   7.842
  241    H    THR  34           H        THR  34  -1.114   5.094   5.094
  242    HA   THR  34           HA       THR  34  -1.877   2.278   2.278
  243    HB   THR  34           HB       THR  34  -3.241   4.617   4.617
  244    HG1  THR  34           HG1      THR  34  -2.633   3.533   3.533
  245   1HG2  THR  34          2HG2      THR  34  -4.103   1.736   1.736
  246   2HG2  THR  34          3HG2      THR  34  -4.765   2.756   2.756
  247   3HG2  THR  34          1HG2      THR  34  -4.994   3.213   3.213
  248    H    TYR  35           H        TYR  35  -3.167   1.749   1.749
  249    HA   TYR  35           HA       TYR  35  -4.496   3.943   3.943
  250   1HB   TYR  35          1HB       TYR  35  -3.603   1.194   1.194
  251   2HB   TYR  35          2HB       TYR  35  -4.490   2.372   2.372
  252    HD1  TYR  35           HD2      TYR  35  -3.430   4.466   4.466
  253    HD2  TYR  35           HD1      TYR  35  -1.215   1.611   1.611
  254    HE1  TYR  35           HE2      TYR  35  -1.328   5.663   5.663
  255    HE2  TYR  35           HE1      TYR  35   0.889   2.792   2.792
  256    HH   TYR  35           HH       TYR  35   1.792   4.770   4.770
  257    H    GLU  36           H        GLU  36  -6.708   3.743   3.743
  258    HA   GLU  36           HA       GLU  36  -8.185   2.125   2.125
  259   1HB   GLU  36          1HB       GLU  36  -9.107   3.587   3.587
  260   2HB   GLU  36          2HB       GLU  36 -10.165   2.993   2.993
  261   1HG   GLU  36          1HG       GLU  36  -9.415   4.616   4.616
  262   2HG   GLU  36          2HG       GLU  36  -7.959   4.972   4.972
  263    H    SER  37           H        SER  37  -7.098   1.656   1.656
  264    HA   SER  37           HA       SER  37  -8.097  -1.088  -1.088
  265   1HB   SER  37          1HB       SER  37  -8.974  -0.543  -0.543
  266   2HB   SER  37          2HB       SER  37 -10.005  -0.189  -0.189
  267    HG   SER  37           HG       SER  37  -9.827   1.872   1.872
  268    H    GLU  38           H        GLU  38  -6.650  -2.341  -2.341
  269    HA   GLU  38           HA       GLU  38  -4.086  -1.481  -1.481
  270   1HB   GLU  38          1HB       GLU  38  -5.764  -3.633  -3.633
  271   2HB   GLU  38          2HB       GLU  38  -4.023  -3.386  -3.386
  272   1HG   GLU  38          1HG       GLU  38  -3.648  -3.770  -3.770
  273   2HG   GLU  38          2HG       GLU  38  -5.374  -4.053  -4.053
  274    H    CYS  39           H        CYS  39  -7.032  -1.055  -1.055
  275    HA   CYS  39           HA       CYS  39  -5.931  -0.533  -0.533
  276   1HB   CYS  39          1HB       CYS  39  -8.316  -0.656  -0.656
  277   2HB   CYS  39          2HB       CYS  39  -8.316   0.790   0.790
  278    H    LYS  40           H        LYS  40  -6.500   1.855   1.855
  279    HA   LYS  40           HA       LYS  40  -5.136   3.934   3.934
  280   1HB   LYS  40          1HB       LYS  40  -5.964   3.764   3.764
  281   2HB   LYS  40          2HB       LYS  40  -5.031   5.100   5.100
  282   1HG   LYS  40          1HG       LYS  40  -6.965   6.081   6.081
  283   2HG   LYS  40          2HG       LYS  40  -7.012   4.998   4.998
  284   1HD   LYS  40          1HD       LYS  40  -9.118   4.829   4.829
  285   2HD   LYS  40          2HD       LYS  40  -8.311   3.341   3.341
  286   1HE   LYS  40          1HE       LYS  40  -8.073   4.067   4.067
  287   2HE   LYS  40          2HE       LYS  40  -8.076   5.773   5.773
  288   1HZ   LYS  40          1HZ       LYS  40 -10.391   5.640   5.640
  289   2HZ   LYS  40          2HZ       LYS  40 -10.483   4.094   4.094
  290   3HZ   LYS  40          3HZ       LYS  40 -10.079   5.359   5.359
  291    H    LEU  41           H        LEU  41  -3.931   1.339   1.339
  292    HA   LEU  41           HA       LEU  41  -1.329   2.556   2.556
  293   1HB   LEU  41          1HB       LEU  41  -2.148   0.622   0.622
  294   2HB   LEU  41          2HB       LEU  41  -2.029  -0.408  -0.408
  295    HG   LEU  41           HG       LEU  41   0.376   1.118   1.118
  296   1HD1  LEU  41          3HD1      LEU  41  -0.612  -1.662  -1.662
  297   2HD1  LEU  41          1HD1      LEU  41   0.975  -1.005  -1.005
  298   3HD1  LEU  41          2HD1      LEU  41  -0.495  -0.272  -0.272
  299   1HD2  LEU  41          3HD2      LEU  41  -0.019  -1.270  -1.270
  300   2HD2  LEU  41          1HD2      LEU  41   0.882   0.222   0.222
  301   3HD2  LEU  41          2HD2      LEU  41   1.529  -0.940  -0.940
  302    H    CYS  42           H        CYS  42  -2.614   0.235   0.235
  303    HA   CYS  42           HA       CYS  42  -0.324   0.109   0.109
  304   1HB   CYS  42          1HB       CYS  42  -3.295  -0.215  -0.215
  305   2HB   CYS  42          2HB       CYS  42  -2.030  -0.425  -0.425
  306    H    LEU  43           H        LEU  43  -3.161   2.345   2.345
  307    HA   LEU  43           HA       LEU  43  -2.265   3.890   3.890
  308   1HB   LEU  43          1HB       LEU  43  -3.862   4.580   4.580
  309   2HB   LEU  43          2HB       LEU  43  -3.659   5.706   5.706
  310    HG   LEU  43           HG       LEU  43  -5.169   3.071   3.071
  311   1HD1  LEU  43          2HD1      LEU  43  -6.310   5.069   5.069
  312   2HD1  LEU  43          3HD1      LEU  43  -6.032   5.949   5.949
  313   3HD1  LEU  43          1HD1      LEU  43  -7.064   4.519   4.519
  314   1HD2  LEU  43          3HD2      LEU  43  -4.407   4.977   4.977
  315   2HD2  LEU  43          1HD2      LEU  43  -4.048   3.237   3.237
  316   3HD2  LEU  43          2HD2      LEU  43  -5.716   3.780   3.780
  317    H    ALA  44           H        ALA  44  -1.673   4.315   4.315
  318    HA   ALA  44           HA       ALA  44  -0.267   6.714   6.714
  319   1HB   ALA  44          2HB       ALA  44  -0.019   4.568   4.568
  320   2HB   ALA  44          1HB       ALA  44   0.594   6.229   6.229
  321   3HB   ALA  44          1HB       ALA  44  -1.149   5.948   5.948
  322    H    ARG  45           H        ARG  45   1.000   3.325   3.325
  323    HA   ARG  45           HA       ARG  45   3.732   4.180   4.180
  324   1HB   ARG  45          1HB       ARG  45   4.248   2.016   2.016
  325   2HB   ARG  45          2HB       ARG  45   3.441   1.905   1.905
  326   1HG   ARG  45          1HG       ARG  45   1.371   1.391   1.391
  327   2HG   ARG  45          2HG       ARG  45   1.994   1.699   1.699
  328   1HD   ARG  45          1HD       ARG  45   2.874  -0.551  -0.551
  329   2HD   ARG  45          2HD       ARG  45   1.764  -0.688  -0.688
  330    HE   ARG  45           HE       ARG  45   3.428   0.110   0.110
  331   1HH1  ARG  45          2HH2      ARG  45   4.430  -2.042  -2.042
  332   2HH1  ARG  45          1HH2      ARG  45   6.137  -1.901  -1.901
  333   1HH2  ARG  45          2HH1      ARG  45   5.452  -0.074  -0.074
  334   2HH2  ARG  45          1HH1      ARG  45   6.727  -0.882  -0.882
  335    H    ILE  46           H        ILE  46   1.201   4.090   4.090
  336    HA   ILE  46           HA       ILE  46   3.109   4.430   4.430
  337    HB   ILE  46           HB       ILE  46   0.081   4.698   4.698
  338   1HG1  ILE  46          1HG1      ILE  46   1.805   2.374   2.374
  339   2HG1  ILE  46          2HG1      ILE  46   1.070   2.381   2.381
  340   1HG2  ILE  46          1HG2      ILE  46   1.227   5.863   5.863
  341   2HG2  ILE  46          2HG2      ILE  46   2.079   4.354   4.354
  342   3HG2  ILE  46          3HG2      ILE  46   0.314   4.460   4.460
  343   1HD1  ILE  46          3HD1      ILE  46  -1.191   2.677   2.677
  344   2HD1  ILE  46          1HD1      ILE  46  -0.426   2.396   2.396
  345   3HD1  ILE  46          2HD1      ILE  46  -0.375   1.141   1.141
  346    H    GLU  47           H        GLU  47   0.926   6.548   6.548
  347    HA   GLU  47           HA       GLU  47   1.668   8.958   8.958
  348   1HB   GLU  47          1HB       GLU  47   0.461   8.395   8.395
  349   2HB   GLU  47          2HB       GLU  47   1.130   9.986   9.986
  350   1HG   GLU  47          1HG       GLU  47  -1.110  10.157  10.157
  351   2HG   GLU  47          2HG       GLU  47  -0.225  10.027  10.027
  352    H    ASN  48           H        ASN  48   3.051   7.337   7.337
  353    HA   ASN  48           HA       ASN  48   5.096   9.249   9.249
  354   1HB   ASN  48          1HB       ASN  48   4.460   6.411   6.411
  355   2HB   ASN  48          2HB       ASN  48   6.112   6.887   6.887
  356   1HD2  ASN  48          2HD2      ASN  48   3.772   9.229   9.229
  357   2HD2  ASN  48          1HD2      ASN  48   3.397   9.188   9.188
  358    H    LYS  49           H        LYS  49   5.011   6.293   6.293
  359    HA   LYS  49           HA       LYS  49   6.488   5.076   5.076
  360   1HB   LYS  49          1HB       LYS  49   7.758   7.780   7.780
  361   2HB   LYS  49          2HB       LYS  49   8.415   6.305   6.305
  362   1HG   LYS  49          1HG       LYS  49   5.470   7.004   7.004
  363   2HG   LYS  49          2HG       LYS  49   6.621   7.804   7.804
  364   1HD   LYS  49          1HD       LYS  49   7.141   4.882   4.882
  365   2HD   LYS  49          2HD       LYS  49   5.474   5.235   5.235
  366   1HE   LYS  49          1HE       LYS  49   7.030   5.055   5.055
  367   2HE   LYS  49          2HE       LYS  49   6.149   6.577   6.577
  368   1HZ   LYS  49          2HZ       LYS  49   8.323   7.424   7.424
  369   2HZ   LYS  49          3HZ       LYS  49   8.971   6.068   6.068
  370   3HZ   LYS  49          1HZ       LYS  49   8.236   7.223   7.223
  371    H    GLN  50           H        GLN  50   6.473   4.911   4.911
  372    HA   GLN  50           HA       GLN  50   9.254   4.099   4.099
  373   1HB   GLN  50          1HB       GLN  50   7.379   5.412   5.412
  374   2HB   GLN  50          2HB       GLN  50   8.653   4.282   4.282
  375   1HG   GLN  50          1HG       GLN  50   9.745   6.291   6.291
  376   2HG   GLN  50          2HG       GLN  50  10.286   5.737   5.737
  377   1HE2  GLN  50          2HE2      GLN  50   7.752   9.014   9.014
  378   2HE2  GLN  50          1HE2      GLN  50   7.638   7.768   7.768
  379    H    ASP  51           H        ASP  51   9.338   1.989   1.989
  380    HA   ASP  51           HA       ASP  51   7.031   0.327   0.327
  381   1HB   ASP  51          1HB       ASP  51   9.462  -0.391  -0.391
  382   2HB   ASP  51          2HB       ASP  51   9.625  -0.326  -0.326
  383    H    ILE  52           H        ILE  52   5.248   0.591   0.591
  384    HA   ILE  52           HA       ILE  52   5.846   0.641   0.641
  385    HB   ILE  52           HB       ILE  52   3.198   1.192   1.192
  386   1HG1  ILE  52          1HG1      ILE  52   5.357   3.082   3.082
  387   2HG1  ILE  52          2HG1      ILE  52   4.856   2.939   2.939
  388   1HG2  ILE  52          1HG2      ILE  52   3.129   0.311   0.311
  389   2HG2  ILE  52          2HG2      ILE  52   4.204   1.628   1.628
  390   3HG2  ILE  52          3HG2      ILE  52   2.575   1.978   1.978
  391   1HD1  ILE  52          1HD1      ILE  52   2.529   3.666   3.666
  392   2HD1  ILE  52          2HD1      ILE  52   3.240   4.069   4.069
  393   3HD1  ILE  52          3HD1      ILE  52   3.812   4.890   4.890
  394    H    GLN  53           H        GLN  53   5.894  -1.291  -1.291
  395    HA   GLN  53           HA       GLN  53   4.352  -3.570  -3.570
  396   1HB   GLN  53          1HB       GLN  53   6.825  -3.298  -3.298
  397   2HB   GLN  53          2HB       GLN  53   5.814  -4.738  -4.738
  398   1HG   GLN  53          1HG       GLN  53   6.088  -5.188  -5.188
  399   2HG   GLN  53          2HG       GLN  53   6.920  -3.667  -3.667
  400   1HE2  GLN  53          2HE2      GLN  53   9.131  -6.874  -6.874
  401   2HE2  GLN  53          1HE2      GLN  53   7.416  -6.999  -6.999
  402    H    ILE  54           H        ILE  54   3.290  -4.892  -4.892
  403    HA   ILE  54           HA       ILE  54   2.039  -3.180  -3.180
  404    HB   ILE  54           HB       ILE  54   1.410  -5.927  -5.927
  405   1HG1  ILE  54          1HG1      ILE  54  -0.284  -3.409  -3.409
  406   2HG1  ILE  54          2HG1      ILE  54   0.787  -3.730  -3.730
  407   1HG2  ILE  54          3HG2      ILE  54   0.158  -4.469  -4.469
  408   2HG2  ILE  54          1HG2      ILE  54  -0.550  -5.894  -5.894
  409   3HG2  ILE  54          2HG2      ILE  54   0.992  -6.037  -6.037
  410   1HD1  ILE  54          3HD1      ILE  54  -0.378  -5.831  -5.831
  411   2HD1  ILE  54          1HD1      ILE  54  -1.537  -5.503  -5.503
  412   3HD1  ILE  54          2HD1      ILE  54  -1.437  -4.408  -4.408
  413    H    VAL  55           H        VAL  55   2.892  -3.181  -3.181
  414    HA   VAL  55           HA       VAL  55   4.963  -5.077  -5.077
  415    HB   VAL  55           HB       VAL  55   3.371  -2.932  -2.932
  416   1HG1  VAL  55          3HG1      VAL  55   5.785  -4.582  -4.582
  417   2HG1  VAL  55          1HG1      VAL  55   5.122  -3.176  -3.176
  418   3HG1  VAL  55          2HG1      VAL  55   4.155  -4.646  -4.646
  419   1HG2  VAL  55          2HG2      VAL  55   4.908  -2.045  -2.045
  420   2HG2  VAL  55          3HG2      VAL  55   5.462  -1.653  -1.653
  421   3HG2  VAL  55          1HG2      VAL  55   6.244  -2.965  -2.965
  422    H    LYS  56           H        LYS  56   1.505  -4.325  -4.325
  423    HA   LYS  56           HA       LYS  56   0.915  -7.097  -7.097
  424   1HB   LYS  56          1HB       LYS  56   0.258  -6.875  -6.875
  425   2HB   LYS  56          2HB       LYS  56   1.966  -6.553  -6.553
  426   1HG   LYS  56          1HG       LYS  56   1.495  -4.870  -4.870
  427   2HG   LYS  56          2HG       LYS  56   1.155  -3.991  -3.991
  428   1HD   LYS  56          1HD       LYS  56  -1.283  -4.689  -4.689
  429   2HD   LYS  56          2HD       LYS  56  -0.865  -5.390  -5.390
  430   1HE   LYS  56          1HE       LYS  56  -0.682  -2.467  -2.467
  431   2HE   LYS  56          2HE       LYS  56  -1.927  -3.224  -3.224
  432   1HZ   LYS  56          2HZ       LYS  56  -0.291  -3.641  -3.641
  433   2HZ   LYS  56          3HZ       LYS  56   0.913  -2.960  -2.960
  434   3HZ   LYS  56          1HZ       LYS  56  -0.297  -2.036  -2.036
  435    H    ASP  57           H        ASP  57  -1.360  -7.459  -7.459
  436    HA   ASP  57           HA       ASP  57  -2.919  -5.414  -5.414
  437   1HB   ASP  57          1HB       ASP  57  -4.017  -7.928  -7.928
  438   2HB   ASP  57          2HB       ASP  57  -4.706  -6.991  -6.991
  439    H    GLY  58           H        GLY  58  -4.465  -4.132  -4.132
  440   1HA   GLY  58          1HA       GLY  58  -5.760  -3.351  -3.351
  441   2HA   GLY  58          2HA       GLY  58  -4.813  -4.186  -4.186
  442    H    GLU  59           H        GLU  59  -5.475  -1.683  -1.683
  443    HA   GLU  59           HA       GLU  59  -3.895   0.369   0.369
  444   1HB   GLU  59          1HB       GLU  59  -5.107   0.366   0.366
  445   2HB   GLU  59          2HB       GLU  59  -4.891   1.732   1.732
  446   1HG   GLU  59          1HG       GLU  59  -7.145   1.387   1.387
  447   2HG   GLU  59          2HG       GLU  59  -6.578   0.339   0.339
  448    H    CYS  60           H        CYS  60  -2.032   1.393   1.393
  449    HA   CYS  60           HA       CYS  60   0.040  -0.265  -0.265
  450   1HB   CYS  60          1HB       CYS  60  -0.120   2.751   2.751
  451   2HB   CYS  60          2HB       CYS  60   1.346   1.838   1.838

  Start of MODEL   19
    1   1H    GLU   1          1HN       GLU   1   5.052 -11.457 -11.457
    2   2H    GLU   1          2HN       GLU   1   6.072 -10.152 -10.152
    3   3H    GLU   1          3HN       GLU   1   4.525  -9.923  -9.923
    4    HA   GLU   1           HA       GLU   1   3.704 -10.697 -10.697
    5   1HB   GLU   1          1HB       GLU   1   4.450  -8.934  -8.934
    6   2HB   GLU   1          2HB       GLU   1   3.888  -8.385  -8.385
    7   1HG   GLU   1          1HG       GLU   1   6.817  -8.534  -8.534
    8   2HG   GLU   1          2HG       GLU   1   5.788  -7.109  -7.109
    9    H    LYS   2           H        LYS   2   4.056 -12.682 -12.682
   10    HA   LYS   2           HA       LYS   2   4.753 -14.324 -14.324
   11   1HB   LYS   2          1HB       LYS   2   4.885 -13.908 -13.908
   12   2HB   LYS   2          2HB       LYS   2   4.436 -12.332 -12.332
   13   1HG   LYS   2          1HG       LYS   2   6.039 -11.720 -11.720
   14   2HG   LYS   2          2HG       LYS   2   7.028 -11.778 -11.778
   15   1HD   LYS   2          1HD       LYS   2   8.155 -12.897 -12.897
   16   2HD   LYS   2          2HD       LYS   2   7.728 -14.151 -14.151
   17   1HE   LYS   2          1HE       LYS   2   7.311 -14.811 -14.811
   18   2HE   LYS   2          2HE       LYS   2   5.848 -14.900 -14.900
   19   1HZ   LYS   2          3HZ       LYS   2   6.583 -12.707 -12.707
   20   2HZ   LYS   2          1HZ       LYS   2   5.543 -13.912 -13.912
   21   3HZ   LYS   2          2HZ       LYS   2   5.133 -12.824 -12.824
   22    H    GLN   3           H        GLN   3   7.718 -12.359 -12.359
   23    HA   GLN   3           HA       GLN   3   9.183 -14.243 -14.243
   24   1HB   GLN   3          1HB       GLN   3   9.208 -15.319 -15.319
   25   2HB   GLN   3          2HB       GLN   3  10.208 -13.974 -13.974
   26   1HG   GLN   3          1HG       GLN   3  10.732 -16.021 -16.021
   27   2HG   GLN   3          2HG       GLN   3  11.565 -15.923 -15.923
   28   1HE2  GLN   3          2HE2      GLN   3  13.709 -13.187 -13.187
   29   2HE2  GLN   3          1HE2      GLN   3  12.953 -13.923 -13.923
   30    H    VAL   4           H        VAL   4   8.784 -12.166 -12.166
   31    HA   VAL   4           HA       VAL   4   8.841  -9.917  -9.917
   32    HB   VAL   4           HB       VAL   4  10.549 -11.037 -11.037
   33   1HG1  VAL   4          1HG1      VAL   4  12.136 -11.785 -11.785
   34   2HG1  VAL   4          2HG1      VAL   4  12.625 -10.114 -10.114
   35   3HG1  VAL   4          3HG1      VAL   4  12.914 -10.845 -10.845
   36   1HG2  VAL   4          3HG2      VAL   4  11.166  -8.161  -8.161
   37   2HG2  VAL   4          1HG2      VAL   4  10.026  -8.777  -8.777
   38   3HG2  VAL   4          2HG2      VAL   4  11.767  -9.031  -9.031
   39    H    PHE   5           H        PHE   5   8.160  -9.957  -9.957
   40    HA   PHE   5           HA       PHE   5   9.617  -7.739  -7.739
   41   1HB   PHE   5          1HB       PHE   5  10.982  -9.824  -9.824
   42   2HB   PHE   5          2HB       PHE   5   9.624 -10.314 -10.314
   43    HD1  PHE   5          1HD       PHE   5  12.217  -7.689  -7.689
   44    HD2  PHE   5          1HD       PHE   5   9.378  -9.298  -9.298
   45    HE1  PHE   5          2HE       PHE   5  12.887  -5.978  -5.978
   46    HE2  PHE   5          1HE       PHE   5  10.043  -7.574  -7.574
   47    HZ   PHE   5           HZ       PHE   5  11.780  -5.891  -5.891
   48    H    SER   6           H        SER   6   8.757  -7.053  -7.053
   49    HA   SER   6           HA       SER   6   5.809  -6.886  -6.886
   50   1HB   SER   6          1HB       SER   6   6.392  -4.965  -4.965
   51   2HB   SER   6          2HB       SER   6   7.171  -4.939  -4.939
   52    HG   SER   6           HG       SER   6   8.441  -5.834  -5.834
   53    H    ARG   7           H        ARG   7   5.280  -6.357  -6.357
   54    HA   ARG   7           HA       ARG   7   5.811  -8.702  -8.702
   55   1HB   ARG   7          1HB       ARG   7   3.546  -9.622  -9.622
   56   2HB   ARG   7          2HB       ARG   7   4.304  -9.741  -9.741
   57   1HG   ARG   7          1HG       ARG   7   3.054  -7.704  -7.704
   58   2HG   ARG   7          2HG       ARG   7   2.212  -7.673  -7.673
   59   1HD   ARG   7          1HD       ARG   7   1.125  -9.820  -9.820
   60   2HD   ARG   7          2HD       ARG   7   2.153 -10.057 -10.057
   61    HE   ARG   7           HE       ARG   7   1.077  -8.467  -8.467
   62   1HH1  ARG   7          2HH2      ARG   7  -0.572  -8.767  -8.767
   63   2HH1  ARG   7          1HH2      ARG   7  -2.008  -7.972  -7.972
   64   1HH2  ARG   7          2HH1      ARG   7  -1.147  -7.930  -7.930
   65   2HH2  ARG   7          1HH1      ARG   7  -2.230  -7.364  -7.364
   66    H    MET   8           H        MET   8   5.113  -8.473  -8.473
   67    HA   MET   8           HA       MET   8   4.487  -5.728  -5.728
   68   1HB   MET   8          1HB       MET   8   4.847  -6.770  -6.770
   69   2HB   MET   8          2HB       MET   8   6.195  -6.394  -6.394
   70   1HG   MET   8          1HG       MET   8   5.058  -9.199  -9.199
   71   2HG   MET   8          2HG       MET   8   6.134  -8.664  -8.664
   72   1HE   MET   8          3HE       MET   8   8.685  -8.031  -8.031
   73   2HE   MET   8          1HE       MET   8   8.301  -6.807  -6.807
   74   3HE   MET   8          2HE       MET   8   9.505  -8.044  -8.044
   75    HA   PRO   9           HA       PRO   9   0.208  -7.115  -7.115
   76   1HB   PRO   9          1HB       PRO   9  -0.928  -4.717  -4.717
   77   2HB   PRO   9          2HB       PRO   9  -0.484  -5.138  -5.138
   78   1HG   PRO   9          1HG       PRO   9   1.108  -3.491  -3.491
   79   2HG   PRO   9          2HG       PRO   9   0.750  -3.130  -3.130
   80   1HD   PRO   9          1HD       PRO   9   3.094  -4.221  -4.221
   81   2HD   PRO   9          2HD       PRO   9   2.336  -4.682  -4.682
   82    H    ILE  10           H        ILE  10  -0.701  -7.891  -7.891
   83    HA   ILE  10           HA       ILE  10   0.386  -7.233  -7.233
   84    HB   ILE  10           HB       ILE  10  -1.850  -9.050  -9.050
   85   1HG1  ILE  10          1HG1      ILE  10   0.838  -9.693  -9.693
   86   2HG1  ILE  10          2HG1      ILE  10   0.566  -9.721  -9.721
   87   1HG2  ILE  10          3HG2      ILE  10  -0.853  -8.597  -8.597
   88   2HG2  ILE  10          1HG2      ILE  10  -2.006  -9.853  -9.853
   89   3HG2  ILE  10          2HG2      ILE  10  -2.462  -8.165  -8.165
   90   1HD1  ILE  10          3HD1      ILE  10  -1.182 -11.425 -11.425
   91   2HD1  ILE  10          1HD1      ILE  10  -0.795 -11.541 -11.541
   92   3HD1  ILE  10          2HD1      ILE  10   0.427 -11.964 -11.964
   93    H    CYS  11           H        CYS  11  -0.842  -5.935  -5.935
   94    HA   CYS  11           HA       CYS  11  -3.233  -4.510  -4.510
   95   1HB   CYS  11          1HB       CYS  11  -0.641  -3.378  -3.378
   96   2HB   CYS  11          2HB       CYS  11  -2.165  -2.502  -2.502
   97    H    GLU  12           H        GLU  12  -3.982  -3.341  -3.341
   98    HA   GLU  12           HA       GLU  12  -4.486  -5.403  -5.403
   99   1HB   GLU  12          1HB       GLU  12  -5.336  -3.521  -3.521
  100   2HB   GLU  12          2HB       GLU  12  -5.988  -3.499  -3.499
  101   1HG   GLU  12          1HG       GLU  12  -5.003  -1.536  -1.536
  102   2HG   GLU  12          2HG       GLU  12  -3.486  -1.925  -1.925
  103    H    HIS  13           H        HIS  13  -3.989  -5.299  -5.299
  104    HA   HIS  13           HA       HIS  13  -1.442  -4.039  -4.039
  105   1HB   HIS  13          1HB       HIS  13  -0.772  -6.206  -6.206
  106   2HB   HIS  13          2HB       HIS  13  -1.704  -7.057  -7.057
  107    HD1  HIS  13           HD1      HIS  13   0.952  -4.160  -4.160
  108    HD2  HIS  13           HD2      HIS  13  -0.081  -7.892  -7.892
  109    HE1  HIS  13           HE1      HIS  13   2.745  -4.716  -4.716
  110    HE2  HIS  13           HE2      HIS  13   2.108  -6.927  -6.927
  111    H    MET  14           H        MET  14  -3.958  -6.361  -6.361
  112    HA   MET  14           HA       MET  14  -3.700  -5.000  -5.000
  113   1HB   MET  14          1HB       MET  14  -4.709  -7.801  -7.801
  114   2HB   MET  14          2HB       MET  14  -4.422  -7.039  -7.039
  115   1HG   MET  14          1HG       MET  14  -1.962  -6.889  -6.889
  116   2HG   MET  14          2HG       MET  14  -2.384  -7.830  -7.830
  117   1HE   MET  14          3HE       MET  14  -2.014  -7.851  -7.851
  118   2HE   MET  14          1HE       MET  14  -2.390  -9.537  -9.537
  119   3HE   MET  14          2HE       MET  14  -3.689  -8.451  -8.451
  120    H    THR  15           H        THR  15  -5.909  -6.729  -6.729
  121    HA   THR  15           HA       THR  15  -8.005  -4.753  -4.753
  122    HB   THR  15           HB       THR  15  -8.355  -5.646  -5.646
  123    HG1  THR  15           HG1      THR  15 -10.215  -7.196  -7.196
  124   1HG2  THR  15          2HG2      THR  15  -7.133  -7.747  -7.747
  125   2HG2  THR  15          3HG2      THR  15  -8.335  -8.492  -8.492
  126   3HG2  THR  15          1HG2      THR  15  -8.796  -7.973  -7.973
  127    H    GLU  16           H        GLU  16  -8.539  -4.856  -4.856
  128    HA   GLU  16           HA       GLU  16  -8.865  -7.339  -7.339
  129   1HB   GLU  16          1HB       GLU  16  -6.223  -6.427  -6.427
  130   2HB   GLU  16          2HB       GLU  16  -6.783  -5.589  -5.589
  131   1HG   GLU  16          1HG       GLU  16  -5.633  -7.610  -7.610
  132   2HG   GLU  16          2HG       GLU  16  -7.325  -7.704  -7.704
  133    H    SER  17           H        SER  17  -9.493  -6.764  -6.764
  134    HA   SER  17           HA       SER  17 -10.134  -3.886  -3.886
  135   1HB   SER  17          1HB       SER  17 -12.294  -4.764  -4.764
  136   2HB   SER  17          2HB       SER  17 -12.215  -4.554  -4.554
  137    HG   SER  17           HG       SER  17 -13.133  -6.570  -6.570
  138    HA   PRO  18           HA       PRO  18  -8.118  -5.582  -5.582
  139   1HB   PRO  18          1HB       PRO  18  -7.051  -3.201  -3.201
  140   2HB   PRO  18          2HB       PRO  18  -6.278  -4.268  -4.268
  141   1HG   PRO  18          1HG       PRO  18  -7.854  -1.773  -1.773
  142   2HG   PRO  18          2HG       PRO  18  -6.349  -2.294  -2.294
  143   1HD   PRO  18          1HD       PRO  18  -8.879  -2.558  -2.558
  144   2HD   PRO  18          2HD       PRO  18  -7.543  -3.661  -3.661
  145    H    ASP  19           H        ASP  19  -8.375  -4.108  -4.108
  146    HA   ASP  19           HA       ASP  19 -11.202  -4.188  -4.188
  147   1HB   ASP  19          1HB       ASP  19 -10.606  -3.478  -3.478
  148   2HB   ASP  19          2HB       ASP  19  -9.584  -4.810  -4.810
  149    H    CYS  20           H        CYS  20 -10.549  -2.205  -2.205
  150    HA   CYS  20           HA       CYS  20 -11.146   0.434   0.434
  151   1HB   CYS  20          1HB       CYS  20 -10.885  -0.553  -0.553
  152   2HB   CYS  20          2HB       CYS  20 -11.248   1.092   1.092
  153    H    SER  21           H        SER  21 -12.982  -0.745  -0.745
  154    HA   SER  21           HA       SER  21 -15.350   0.306   0.306
  155   1HB   SER  21          1HB       SER  21 -16.684  -1.841  -1.841
  156   2HB   SER  21          2HB       SER  21 -15.551  -1.705  -1.705
  157    HG   SER  21           HG       SER  21 -14.018  -2.848  -2.848
  158    H    ARG  22           H        ARG  22 -13.970   1.107   1.107
  159    HA   ARG  22           HA       ARG  22 -13.945   1.664   1.664
  160   1HB   ARG  22          1HB       ARG  22 -16.856   1.225   1.225
  161   2HB   ARG  22          2HB       ARG  22 -16.279   2.116   2.116
  162   1HG   ARG  22          1HG       ARG  22 -15.371   3.874   3.874
  163   2HG   ARG  22          2HG       ARG  22 -15.604   2.955   2.955
  164   1HD   ARG  22          1HD       ARG  22 -17.391   4.695   4.695
  165   2HD   ARG  22          2HD       ARG  22 -17.985   3.032   3.032
  166    HE   ARG  22           HE       ARG  22 -17.506   4.012   4.012
  167   1HH1  ARG  22          2HH2      ARG  22 -20.041   3.631   3.631
  168   2HH1  ARG  22          1HH2      ARG  22 -21.275   3.424   3.424
  169   1HH2  ARG  22          2HH1      ARG  22 -19.145   3.029   3.029
  170   2HH2  ARG  22          1HH1      ARG  22 -20.820   3.170   3.170
  171    H    ILE  23           H        ILE  23 -13.138  -0.929  -0.929
  172    HA   ILE  23           HA       ILE  23 -14.666  -2.448  -2.448
  173    HB   ILE  23           HB       ILE  23 -11.872  -2.950  -2.950
  174   1HG1  ILE  23          1HG1      ILE  23 -14.596  -3.808  -3.808
  175   2HG1  ILE  23          2HG1      ILE  23 -13.259  -3.053  -3.053
  176   1HG2  ILE  23          2HG2      ILE  23 -12.454  -4.015  -4.015
  177   2HG2  ILE  23          3HG2      ILE  23 -13.807  -4.837  -4.837
  178   3HG2  ILE  23          1HG2      ILE  23 -12.137  -5.186  -5.186
  179   1HD1  ILE  23          2HD1      ILE  23 -11.924  -5.215  -5.215
  180   2HD1  ILE  23          3HD1      ILE  23 -13.482  -5.924  -5.924
  181   3HD1  ILE  23          1HD1      ILE  23 -13.242  -5.293  -5.293
  182    H    TYR  24           H        TYR  24 -14.270  -2.087  -2.087
  183    HA   TYR  24           HA       TYR  24 -12.010  -0.258  -0.258
  184   1HB   TYR  24          1HB       TYR  24 -14.541  -0.173  -0.173
  185   2HB   TYR  24          2HB       TYR  24 -13.968  -1.207  -1.207
  186    HD1  TYR  24           HD2      TYR  24 -11.144   0.068   0.068
  187    HD2  TYR  24           HD1      TYR  24 -15.090   1.767   1.767
  188    HE1  TYR  24           HE2      TYR  24 -10.558   1.754   1.754
  189    HE2  TYR  24           HE1      TYR  24 -14.410   3.616   3.616
  190    HH   TYR  24           HH       TYR  24 -11.326   3.534   3.534
  191    H    ASP  25           H        ASP  25 -10.339  -1.771  -1.771
  192    HA   ASP  25           HA       ASP  25 -10.023  -3.885  -3.885
  193   1HB   ASP  25          1HB       ASP  25 -10.977  -5.017  -5.017
  194   2HB   ASP  25          2HB       ASP  25  -9.613  -4.429  -4.429
  195    HA   PRO  26           HA       PRO  26  -6.898  -0.736  -0.736
  196   1HB   PRO  26          1HB       PRO  26  -6.029  -0.254  -0.254
  197   2HB   PRO  26          2HB       PRO  26  -7.438   0.503   0.503
  198   1HG   PRO  26          1HG       PRO  26  -7.429  -1.772  -1.772
  199   2HG   PRO  26          2HG       PRO  26  -8.598  -0.447  -0.447
  200   1HD   PRO  26          1HD       PRO  26  -8.967  -3.014  -3.014
  201   2HD   PRO  26          2HD       PRO  26  -9.734  -1.564  -1.564
  202    H    VAL  27           H        VAL  27  -4.524  -0.553  -0.553
  203    HA   VAL  27           HA       VAL  27  -3.101  -2.938  -2.938
  204    HB   VAL  27           HB       VAL  27  -1.818  -3.141  -3.141
  205   1HG1  VAL  27          2HG1      VAL  27  -3.751  -4.678  -4.678
  206   2HG1  VAL  27          3HG1      VAL  27  -4.775  -3.584  -3.584
  207   3HG1  VAL  27          1HG1      VAL  27  -3.399  -4.390  -4.390
  208   1HG2  VAL  27          3HG2      VAL  27  -2.187  -0.934  -0.934
  209   2HG2  VAL  27          1HG2      VAL  27  -2.629  -2.210  -2.210
  210   3HG2  VAL  27          2HG2      VAL  27  -3.901  -1.316  -1.316
  211    H    CYS  28           H        CYS  28  -0.952  -2.399  -2.399
  212    HA   CYS  28           HA       CYS  28  -0.389   0.537   0.537
  213   1HB   CYS  28          1HB       CYS  28  -0.489  -0.550  -0.550
  214   2HB   CYS  28          2HB       CYS  28   0.893  -1.568  -1.568
  215    H    GLY  29           H        GLY  29   1.013   1.224   1.224
  216   1HA   GLY  29          1HA       GLY  29   2.508  -0.668  -0.668
  217   2HA   GLY  29          2HA       GLY  29   2.480   1.081   1.081
  218    H    THR  30           H        THR  30   4.905  -0.252  -0.252
  219    HA   THR  30           HA       THR  30   6.599  -0.147  -0.147
  220    HB   THR  30           HB       THR  30   8.367   0.098   0.098
  221    HG1  THR  30           HG1      THR  30   7.553  -0.530  -0.530
  222   1HG2  THR  30          2HG2      THR  30   6.501  -2.311  -2.311
  223   2HG2  THR  30          3HG2      THR  30   8.155  -2.275  -2.275
  224   3HG2  THR  30          1HG2      THR  30   7.889  -2.030  -2.030
  225    H    ASP  31           H        ASP  31   5.055   2.349   2.349
  226    HA   ASP  31           HA       ASP  31   6.973   4.474   4.474
  227   1HB   ASP  31          1HB       ASP  31   5.053   5.889   5.889
  228   2HB   ASP  31          2HB       ASP  31   5.613   4.782   4.782
  229    H    GLY  32           H        GLY  32   4.407   2.629   2.629
  230   1HA   GLY  32          1HA       GLY  32   3.915   2.592   2.592
  231   2HA   GLY  32          2HA       GLY  32   4.671   4.172   4.172
  232    H    VAL  33           H        VAL  33   2.573   3.902   3.902
  233    HA   VAL  33           HA       VAL  33   0.584   5.622   5.622
  234    HB   VAL  33           HB       VAL  33   0.989   4.782   4.782
  235   1HG1  VAL  33          3HG1      VAL  33  -0.997   6.755   6.755
  236   2HG1  VAL  33          1HG1      VAL  33  -0.636   6.593   6.593
  237   3HG1  VAL  33          2HG1      VAL  33  -1.386   5.250   5.250
  238   1HG2  VAL  33          3HG2      VAL  33   2.741   6.337   6.337
  239   2HG2  VAL  33          1HG2      VAL  33   1.746   7.042   7.042
  240   3HG2  VAL  33          2HG2      VAL  33   1.442   7.471   7.471
  241    H    THR  34           H        THR  34  -1.321   4.810   4.810
  242    HA   THR  34           HA       THR  34  -2.107   2.028   2.028
  243    HB   THR  34           HB       THR  34  -3.446   4.195   4.195
  244    HG1  THR  34           HG1      THR  34  -1.562   3.261   3.261
  245   1HG2  THR  34          2HG2      THR  34  -4.227   1.312   1.312
  246   2HG2  THR  34          3HG2      THR  34  -4.877   2.309   2.309
  247   3HG2  THR  34          1HG2      THR  34  -5.178   2.771   2.771
  248    H    TYR  35           H        TYR  35  -2.722   1.810   1.810
  249    HA   TYR  35           HA       TYR  35  -4.340   3.866   3.866
  250   1HB   TYR  35          1HB       TYR  35  -3.270   1.115   1.115
  251   2HB   TYR  35          2HB       TYR  35  -4.441   1.972   1.972
  252    HD1  TYR  35           HD1      TYR  35  -3.917   4.015   4.015
  253    HD2  TYR  35           HD2      TYR  35  -0.917   2.025   2.025
  254    HE1  TYR  35           HE1      TYR  35  -2.211   5.525   5.525
  255    HE2  TYR  35           HE2      TYR  35   0.807   3.550   3.550
  256    HH   TYR  35           HH       TYR  35  -0.143   6.403   6.403
  257    H    GLU  36           H        GLU  36  -6.517   3.599   3.599
  258    HA   GLU  36           HA       GLU  36  -8.176   2.165   2.165
  259   1HB   GLU  36          1HB       GLU  36  -8.750   3.394   3.394
  260   2HB   GLU  36          2HB       GLU  36  -9.961   2.862   2.862
  261   1HG   GLU  36          1HG       GLU  36  -9.859   5.191   5.191
  262   2HG   GLU  36          2HG       GLU  36  -9.048   4.534   4.534
  263    H    SER  37           H        SER  37  -6.975   1.415   1.415
  264    HA   SER  37           HA       SER  37  -7.179  -1.370  -1.370
  265   1HB   SER  37          1HB       SER  37  -8.829  -1.929  -1.929
  266   2HB   SER  37          2HB       SER  37  -9.574  -1.010  -1.010
  267    HG   SER  37           HG       SER  37  -9.278  -0.410  -0.410
  268    H    GLU  38           H        GLU  38  -6.618  -2.447  -2.447
  269    HA   GLU  38           HA       GLU  38  -4.083  -1.158  -1.158
  270   1HB   GLU  38          1HB       GLU  38  -5.191  -3.531  -3.531
  271   2HB   GLU  38          2HB       GLU  38  -3.514  -2.982  -2.982
  272   1HG   GLU  38          1HG       GLU  38  -3.522  -3.433  -3.433
  273   2HG   GLU  38          2HG       GLU  38  -5.182  -4.049  -4.049
  274    H    CYS  39           H        CYS  39  -7.170  -0.914  -0.914
  275    HA   CYS  39           HA       CYS  39  -6.530  -0.267  -0.267
  276   1HB   CYS  39          1HB       CYS  39  -8.811  -0.266  -0.266
  277   2HB   CYS  39          2HB       CYS  39  -8.455   1.085   1.085
  278    H    LYS  40           H        LYS  40  -6.505   1.974   1.974
  279    HA   LYS  40           HA       LYS  40  -5.414   4.227   4.227
  280   1HB   LYS  40          1HB       LYS  40  -5.773   3.922   3.922
  281   2HB   LYS  40          2HB       LYS  40  -5.450   5.424   5.424
  282   1HG   LYS  40          1HG       LYS  40  -7.682   5.164   5.164
  283   2HG   LYS  40          2HG       LYS  40  -7.953   3.686   3.686
  284   1HD   LYS  40          1HD       LYS  40  -9.124   5.209   5.209
  285   2HD   LYS  40          2HD       LYS  40  -7.582   5.085   5.085
  286   1HE   LYS  40          1HE       LYS  40  -8.173   7.388   7.388
  287   2HE   LYS  40          2HE       LYS  40  -6.840   7.219   7.219
  288   1HZ   LYS  40          3HZ       LYS  40  -9.715   7.301   7.301
  289   2HZ   LYS  40          1HZ       LYS  40  -8.716   8.597   8.597
  290   3HZ   LYS  40          2HZ       LYS  40  -8.489   7.308   7.308
  291    H    LEU  41           H        LEU  41  -4.136   1.525   1.525
  292    HA   LEU  41           HA       LEU  41  -1.524   2.708   2.708
  293   1HB   LEU  41          1HB       LEU  41  -2.588   0.803   0.803
  294   2HB   LEU  41          2HB       LEU  41  -2.236  -0.236  -0.236
  295    HG   LEU  41           HG       LEU  41  -0.051   1.334   1.334
  296   1HD1  LEU  41          1HD1      LEU  41  -1.060  -1.472  -1.472
  297   2HD1  LEU  41          2HD1      LEU  41   0.384  -0.708  -0.708
  298   3HD1  LEU  41          3HD1      LEU  41  -1.219  -0.039  -0.039
  299   1HD2  LEU  41          3HD2      LEU  41  -0.131  -1.074  -1.074
  300   2HD2  LEU  41          1HD2      LEU  41   0.746   0.453   0.453
  301   3HD2  LEU  41          2HD2      LEU  41   1.287  -0.699  -0.699
  302    H    CYS  42           H        CYS  42  -3.046   0.631   0.631
  303    HA   CYS  42           HA       CYS  42  -0.827   0.172   0.172
  304   1HB   CYS  42          1HB       CYS  42  -3.800   0.347   0.347
  305   2HB   CYS  42          2HB       CYS  42  -2.612   0.011   0.011
  306    H    LEU  43           H        LEU  43  -3.383   2.673   2.673
  307    HA   LEU  43           HA       LEU  43  -2.255   4.438   4.438
  308   1HB   LEU  43          1HB       LEU  43  -3.841   4.809   4.809
  309   2HB   LEU  43          2HB       LEU  43  -3.387   6.201   6.201
  310    HG   LEU  43           HG       LEU  43  -5.331   4.025   4.025
  311   1HD1  LEU  43          1HD1      LEU  43  -6.108   5.961   5.961
  312   2HD1  LEU  43          2HD1      LEU  43  -5.459   7.081   7.081
  313   3HD1  LEU  43          3HD1      LEU  43  -6.806   6.019   6.019
  314   1HD2  LEU  43          3HD2      LEU  43  -4.049   6.104   6.104
  315   2HD2  LEU  43          1HD2      LEU  43  -4.131   4.334   4.334
  316   3HD2  LEU  43          2HD2      LEU  43  -5.599   5.307   5.307
  317    H    ALA  44           H        ALA  44  -1.629   4.407   4.407
  318    HA   ALA  44           HA       ALA  44   0.139   6.562   6.562
  319   1HB   ALA  44          1HB       ALA  44  -0.890   5.677   5.677
  320   2HB   ALA  44          1HB       ALA  44   0.132   4.223   4.223
  321   3HB   ALA  44          2HB       ALA  44   0.870   5.811   5.811
  322    H    ARG  45           H        ARG  45   0.833   3.097   3.097
  323    HA   ARG  45           HA       ARG  45   3.665   3.240   3.240
  324   1HB   ARG  45          1HB       ARG  45   1.838   1.560   1.560
  325   2HB   ARG  45          2HB       ARG  45   3.592   1.353   1.353
  326   1HG   ARG  45          1HG       ARG  45   3.591   0.718   0.718
  327   2HG   ARG  45          2HG       ARG  45   1.978   1.323   1.323
  328   1HD   ARG  45          1HD       ARG  45   1.679  -1.058  -1.058
  329   2HD   ARG  45          2HD       ARG  45   1.129  -0.372  -0.372
  330    HE   ARG  45           HE       ARG  45   2.436  -1.695  -1.695
  331   1HH1  ARG  45          2HH2      ARG  45   3.882  -1.595  -1.595
  332   2HH1  ARG  45          1HH2      ARG  45   5.270  -2.515  -2.515
  333   1HH2  ARG  45          2HH1      ARG  45   3.974  -3.121  -3.121
  334   2HH2  ARG  45          1HH1      ARG  45   5.282  -3.541  -3.541
  335    H    ILE  46           H        ILE  46   1.375   4.023   4.023
  336    HA   ILE  46           HA       ILE  46   3.568   4.642   4.642
  337    HB   ILE  46           HB       ILE  46   0.604   5.259   5.259
  338   1HG1  ILE  46          1HG1      ILE  46   2.302   2.964   2.964
  339   2HG1  ILE  46          2HG1      ILE  46   1.080   2.830   2.830
  340   1HG2  ILE  46          1HG2      ILE  46   2.165   6.644   6.644
  341   2HG2  ILE  46          2HG2      ILE  46   2.756   5.133   5.133
  342   3HG2  ILE  46          3HG2      ILE  46   1.060   5.621   5.621
  343   1HD1  ILE  46          1HD1      ILE  46  -0.685   3.507   3.507
  344   2HD1  ILE  46          2HD1      ILE  46   0.522   3.477   3.477
  345   3HD1  ILE  46          3HD1      ILE  46   0.149   1.998   1.998
  346    H    GLU  47           H        GLU  47   1.293   6.526   6.526
  347    HA   GLU  47           HA       GLU  47   1.983   9.109   9.109
  348   1HB   GLU  47          1HB       GLU  47   0.138   8.211   8.211
  349   2HB   GLU  47          2HB       GLU  47   1.335   8.239   8.239
  350   1HG   GLU  47          1HG       GLU  47   1.552  10.646  10.646
  351   2HG   GLU  47          2HG       GLU  47   0.525  10.662  10.662
  352    H    ASN  48           H        ASN  48   3.355   7.173   7.173
  353    HA   ASN  48           HA       ASN  48   5.447   9.089   9.089
  354   1HB   ASN  48          1HB       ASN  48   4.883   6.213   6.213
  355   2HB   ASN  48          2HB       ASN  48   6.199   7.183   7.183
  356   1HD2  ASN  48          2HD2      ASN  48   2.349   8.080   8.080
  357   2HD2  ASN  48          1HD2      ASN  48   2.650   7.079   7.079
  358    H    LYS  49           H        LYS  49   5.138   7.007   7.007
  359    HA   LYS  49           HA       LYS  49   6.386   5.576   5.576
  360   1HB   LYS  49          1HB       LYS  49   8.511   7.663   7.663
  361   2HB   LYS  49          2HB       LYS  49   8.514   6.413   6.413
  362   1HG   LYS  49          1HG       LYS  49   6.236   7.485   7.485
  363   2HG   LYS  49          2HG       LYS  49   6.788   8.909   8.909
  364   1HD   LYS  49          1HD       LYS  49   8.365   7.446   7.446
  365   2HD   LYS  49          2HD       LYS  49   7.272   8.787   8.787
  366   1HE   LYS  49          1HE       LYS  49   9.675   9.402   9.402
  367   2HE   LYS  49          2HE       LYS  49   8.668  10.379  10.379
  368   1HZ   LYS  49          3HZ       LYS  49  10.313   8.131   8.131
  369   2HZ   LYS  49          1HZ       LYS  49  10.856   9.663   9.663
  370   3HZ   LYS  49          2HZ       LYS  49   9.598   9.342   9.342
  371    H    GLN  50           H        GLN  50   6.168   4.429   4.429
  372    HA   GLN  50           HA       GLN  50   8.849   3.246   3.246
  373   1HB   GLN  50          1HB       GLN  50   7.099   4.596   4.596
  374   2HB   GLN  50          2HB       GLN  50   8.085   3.210   3.210
  375   1HG   GLN  50          1HG       GLN  50   9.320   5.611   5.611
  376   2HG   GLN  50          2HG       GLN  50   9.094   5.506   5.506
  377   1HE2  GLN  50          2HE2      GLN  50  12.336   4.119   4.119
  378   2HE2  GLN  50          1HE2      GLN  50  11.337   5.527   5.527
  379    H    ASP  51           H        ASP  51   8.874   1.234   1.234
  380    HA   ASP  51           HA       ASP  51   6.460  -0.462  -0.462
  381   1HB   ASP  51          1HB       ASP  51   8.488  -1.583  -1.583
  382   2HB   ASP  51          2HB       ASP  51   9.359  -0.898  -0.898
  383    H    ILE  52           H        ILE  52   5.100   0.510   0.510
  384    HA   ILE  52           HA       ILE  52   6.009   0.731   0.731
  385    HB   ILE  52           HB       ILE  52   3.269   1.164   1.164
  386   1HG1  ILE  52          1HG1      ILE  52   5.271   3.218   3.218
  387   2HG1  ILE  52          2HG1      ILE  52   4.980   2.867   2.867
  388   1HG2  ILE  52          3HG2      ILE  52   3.174   0.435   0.435
  389   2HG2  ILE  52          1HG2      ILE  52   4.245   1.779   1.779
  390   3HG2  ILE  52          2HG2      ILE  52   2.623   2.088   2.088
  391   1HD1  ILE  52          2HD1      ILE  52   2.566   3.502   3.502
  392   2HD1  ILE  52          3HD1      ILE  52   3.003   4.089   4.089
  393   3HD1  ILE  52          1HD1      ILE  52   3.734   4.824   4.824
  394    H    GLN  53           H        GLN  53   6.134  -1.261  -1.261
  395    HA   GLN  53           HA       GLN  53   4.356  -3.477  -3.477
  396   1HB   GLN  53          1HB       GLN  53   6.850  -3.454  -3.454
  397   2HB   GLN  53          2HB       GLN  53   5.730  -4.822  -4.822
  398   1HG   GLN  53          1HG       GLN  53   6.064  -4.909  -4.909
  399   2HG   GLN  53          2HG       GLN  53   7.111  -3.524  -3.524
  400   1HE2  GLN  53          2HE2      GLN  53   9.816  -5.742  -5.742
  401   2HE2  GLN  53          1HE2      GLN  53   8.911  -4.475  -4.475
  402    H    ILE  54           H        ILE  54   3.249  -4.663  -4.663
  403    HA   ILE  54           HA       ILE  54   2.120  -2.901  -2.901
  404    HB   ILE  54           HB       ILE  54   1.411  -5.678  -5.678
  405   1HG1  ILE  54          1HG1      ILE  54  -0.226  -3.118  -3.118
  406   2HG1  ILE  54          2HG1      ILE  54   0.935  -3.522  -3.522
  407   1HG2  ILE  54          1HG2      ILE  54   0.313  -3.937  -3.937
  408   2HG2  ILE  54          2HG2      ILE  54  -0.667  -5.197  -5.197
  409   3HG2  ILE  54          3HG2      ILE  54   0.825  -5.635  -5.635
  410   1HD1  ILE  54          3HD1      ILE  54  -0.177  -5.665  -5.665
  411   2HD1  ILE  54          1HD1      ILE  54  -1.429  -5.258  -5.258
  412   3HD1  ILE  54          2HD1      ILE  54  -1.230  -4.262  -4.262
  413    H    VAL  55           H        VAL  55   3.092  -2.872  -2.872
  414    HA   VAL  55           HA       VAL  55   5.092  -4.883  -4.883
  415    HB   VAL  55           HB       VAL  55   3.824  -2.513  -2.513
  416   1HG1  VAL  55          2HG1      VAL  55   5.916  -4.470  -4.470
  417   2HG1  VAL  55          3HG1      VAL  55   5.527  -2.903  -2.903
  418   3HG1  VAL  55          1HG1      VAL  55   4.316  -4.188  -4.188
  419   1HG2  VAL  55          2HG2      VAL  55   5.464  -2.059  -2.059
  420   2HG2  VAL  55          3HG2      VAL  55   6.145  -1.635  -1.635
  421   3HG2  VAL  55          1HG2      VAL  55   6.645  -3.130  -3.130
  422    H    LYS  56           H        LYS  56   1.667  -4.015  -4.015
  423    HA   LYS  56           HA       LYS  56   1.162  -6.821  -6.821
  424   1HB   LYS  56          1HB       LYS  56   0.399  -6.537  -6.537
  425   2HB   LYS  56          2HB       LYS  56   2.137  -6.515  -6.515
  426   1HG   LYS  56          1HG       LYS  56   1.749  -4.909  -4.909
  427   2HG   LYS  56          2HG       LYS  56   2.057  -3.961  -3.961
  428   1HD   LYS  56          1HD       LYS  56  -0.376  -3.530  -3.530
  429   2HD   LYS  56          2HD       LYS  56  -0.730  -4.639  -4.639
  430   1HE   LYS  56          1HE       LYS  56   0.881  -2.057  -2.057
  431   2HE   LYS  56          2HE       LYS  56  -0.835  -2.264  -2.264
  432   1HZ   LYS  56          2HZ       LYS  56  -0.183  -3.904  -3.904
  433   2HZ   LYS  56          3HZ       LYS  56   1.424  -3.602  -3.602
  434   3HZ   LYS  56          1HZ       LYS  56   0.480  -2.442  -2.442
  435    H    ASP  57           H        ASP  57  -1.013  -7.301  -7.301
  436    HA   ASP  57           HA       ASP  57  -2.886  -5.730  -5.730
  437   1HB   ASP  57          1HB       ASP  57  -3.388  -7.901  -7.901
  438   2HB   ASP  57          2HB       ASP  57  -4.550  -7.277  -7.277
  439    H    GLY  58           H        GLY  58  -4.426  -4.296  -4.296
  440   1HA   GLY  58          1HA       GLY  58  -5.683  -3.069  -3.069
  441   2HA   GLY  58          2HA       GLY  58  -5.231  -4.150  -4.150
  442    H    GLU  59           H        GLU  59  -5.422  -1.931  -1.931
  443    HA   GLU  59           HA       GLU  59  -3.868   0.223   0.223
  444   1HB   GLU  59          1HB       GLU  59  -5.264   0.005   0.005
  445   2HB   GLU  59          2HB       GLU  59  -4.842   1.489   1.489
  446   1HG   GLU  59          1HG       GLU  59  -6.482   0.876   0.876
  447   2HG   GLU  59          2HG       GLU  59  -6.900  -0.591  -0.591
  448    H    CYS  60           H        CYS  60  -2.130   1.296   1.296
  449    HA   CYS  60           HA       CYS  60  -0.208  -0.247  -0.247
  450   1HB   CYS  60          1HB       CYS  60  -0.015   2.197   2.197
  451   2HB   CYS  60          2HB       CYS  60   0.870   2.239   2.239

  Start of MODEL   20
    1   1H    GLU   1          1HN       GLU   1   6.132 -10.345 -10.345
    2   2H    GLU   1          2HN       GLU   1   5.136 -10.695 -10.695
    3   3H    GLU   1          3HN       GLU   1   6.753 -10.628 -10.628
    4    HA   GLU   1           HA       GLU   1   7.200 -12.498 -12.498
    5   1HB   GLU   1          1HB       GLU   1   6.355 -14.193 -14.193
    6   2HB   GLU   1          2HB       GLU   1   6.738 -12.774 -12.774
    7   1HG   GLU   1          1HG       GLU   1   4.005 -12.417 -12.417
    8   2HG   GLU   1          2HG       GLU   1   4.159 -14.143 -14.143
    9    H    LYS   2           H        LYS   2   4.910 -10.953 -10.953
   10    HA   LYS   2           HA       LYS   2   3.319 -13.233 -13.233
   11   1HB   LYS   2          1HB       LYS   2   2.612 -11.739 -11.739
   12   2HB   LYS   2          2HB       LYS   2   2.328 -11.048 -11.048
   13   1HG   LYS   2          1HG       LYS   2   3.825  -9.364  -9.364
   14   2HG   LYS   2          2HG       LYS   2   4.927 -10.289 -10.289
   15   1HD   LYS   2          1HD       LYS   2   2.185  -9.384  -9.384
   16   2HD   LYS   2          2HD       LYS   2   3.628  -8.359  -8.359
   17   1HE   LYS   2          1HE       LYS   2   4.852 -10.136 -10.136
   18   2HE   LYS   2          2HE       LYS   2   3.401 -11.137 -11.137
   19   1HZ   LYS   2          1HZ       LYS   2   3.559  -8.418  -8.418
   20   2HZ   LYS   2          2HZ       LYS   2   3.948  -9.779  -9.779
   21   3HZ   LYS   2          3HZ       LYS   2   2.420  -9.608  -9.608
   22    H    GLN   3           H        GLN   3   3.534 -13.832 -13.832
   23    HA   GLN   3           HA       GLN   3   6.037 -14.980 -14.980
   24   1HB   GLN   3          1HB       GLN   3   3.501 -14.486 -14.486
   25   2HB   GLN   3          2HB       GLN   3   4.909 -14.986 -14.986
   26   1HG   GLN   3          1HG       GLN   3   3.228 -16.786 -16.786
   27   2HG   GLN   3          2HG       GLN   3   4.956 -17.078 -17.078
   28   1HE2  GLN   3          2HE2      GLN   3   3.415 -16.559 -16.559
   29   2HE2  GLN   3          1HE2      GLN   3   2.643 -15.746 -15.746
   30    H    VAL   4           H        VAL   4   7.841 -13.803 -13.803
   31    HA   VAL   4           HA       VAL   4   9.414 -12.444 -12.444
   32    HB   VAL   4           HB       VAL   4   8.558 -13.706 -13.706
   33   1HG1  VAL   4          3HG1      VAL   4   8.470 -10.813 -10.813
   34   2HG1  VAL   4          1HG1      VAL   4   8.560 -12.254 -12.254
   35   3HG1  VAL   4          2HG1      VAL   4   7.142 -11.991 -11.991
   36   1HG2  VAL   4          2HG2      VAL   4  10.841 -13.368 -13.368
   37   2HG2  VAL   4          3HG2      VAL   4  10.626 -13.102 -13.102
   38   3HG2  VAL   4          1HG2      VAL   4  10.789 -11.714 -11.714
   39    H    PHE   5           H        PHE   5   9.628  -9.972  -9.972
   40    HA   PHE   5           HA       PHE   5   8.151  -8.371  -8.371
   41   1HB   PHE   5          1HB       PHE   5  10.476  -7.809  -7.809
   42   2HB   PHE   5          2HB       PHE   5   9.932  -7.307  -7.307
   43    HD1  PHE   5          1HD       PHE   5   9.431  -6.698  -6.698
   44    HD2  PHE   5          1HD       PHE   5   9.023  -5.089  -5.089
   45    HE1  PHE   5          2HE       PHE   5   8.719  -4.529  -4.529
   46    HE2  PHE   5          1HE       PHE   5   8.350  -2.903  -2.903
   47    HZ   PHE   5           HZ       PHE   5   8.102  -2.649  -2.649
   48    H    SER   6           H        SER   6   8.432  -7.823  -7.823
   49    HA   SER   6           HA       SER   6   5.626  -6.876  -6.876
   50   1HB   SER   6          1HB       SER   6   6.572  -5.636  -5.636
   51   2HB   SER   6          2HB       SER   6   7.017  -5.060  -5.060
   52    HG   SER   6           HG       SER   6   8.599  -6.757  -6.757
   53    H    ARG   7           H        ARG   7   4.472  -6.957  -6.957
   54    HA   ARG   7           HA       ARG   7   5.063  -9.302  -9.302
   55   1HB   ARG   7          1HB       ARG   7   2.751  -9.922  -9.922
   56   2HB   ARG   7          2HB       ARG   7   3.389 -10.020 -10.020
   57   1HG   ARG   7          1HG       ARG   7   1.391  -9.143  -9.143
   58   2HG   ARG   7          2HG       ARG   7   2.243  -7.615  -7.615
   59   1HD   ARG   7          1HD       ARG   7   1.199  -7.355  -7.355
   60   2HD   ARG   7          2HD       ARG   7   0.643  -9.026  -9.026
   61    HE   ARG   7           HE       ARG   7  -0.517  -7.630  -7.630
   62   1HH1  ARG   7          2HH2      ARG   7  -0.893  -8.229  -8.229
   63   2HH1  ARG   7          1HH2      ARG   7  -2.353  -7.296  -7.296
   64   1HH2  ARG   7          2HH1      ARG   7  -2.575  -6.859  -6.859
   65   2HH2  ARG   7          1HH1      ARG   7  -3.550  -7.005  -7.005
   66    H    MET   8           H        MET   8   4.971  -8.843  -8.843
   67    HA   MET   8           HA       MET   8   4.457  -6.172  -6.172
   68   1HB   MET   8          1HB       MET   8   4.933  -8.866  -8.866
   69   2HB   MET   8          2HB       MET   8   4.522  -7.434  -7.434
   70   1HG   MET   8          1HG       MET   8   6.806  -7.404  -7.404
   71   2HG   MET   8          2HG       MET   8   7.009  -7.894  -7.894
   72   1HE   MET   8          3HE       MET   8   8.889  -6.215  -6.215
   73   2HE   MET   8          1HE       MET   8   8.711  -4.446  -4.446
   74   3HE   MET   8          2HE       MET   8   8.486  -5.332  -5.332
   75    HA   PRO   9           HA       PRO   9   0.082  -7.066  -7.066
   76   1HB   PRO   9          1HB       PRO   9  -0.739  -4.662  -4.662
   77   2HB   PRO   9          2HB       PRO   9  -0.356  -4.995  -4.995
   78   1HG   PRO   9          1HG       PRO   9   1.434  -3.612  -3.612
   79   2HG   PRO   9          2HG       PRO   9   1.092  -3.114  -3.114
   80   1HD   PRO   9          1HD       PRO   9   3.307  -4.609  -4.609
   81   2HD   PRO   9          2HD       PRO   9   2.624  -4.664  -4.664
   82    H    ILE  10           H        ILE  10  -0.699  -7.648  -7.648
   83    HA   ILE  10           HA       ILE  10   1.191  -7.584  -7.584
   84    HB   ILE  10           HB       ILE  10  -1.392  -9.105  -9.105
   85   1HG1  ILE  10          1HG1      ILE  10   0.107  -9.741  -9.741
   86   2HG1  ILE  10          2HG1      ILE  10   0.091 -11.020 -11.020
   87   1HG2  ILE  10          2HG2      ILE  10   0.831  -9.487  -9.487
   88   2HG2  ILE  10          3HG2      ILE  10  -0.457 -10.674 -10.674
   89   3HG2  ILE  10          1HG2      ILE  10  -0.867  -9.069  -9.069
   90   1HD1  ILE  10          1HD1      ILE  10   2.283 -10.162 -10.162
   91   2HD1  ILE  10          2HD1      ILE  10   2.291  -8.917  -8.917
   92   3HD1  ILE  10          3HD1      ILE  10   2.375 -10.612 -10.612
   93    H    CYS  11           H        CYS  11   0.993  -5.599  -5.599
   94    HA   CYS  11           HA       CYS  11  -1.737  -4.541  -4.541
   95   1HB   CYS  11          1HB       CYS  11   0.444  -3.398  -3.398
   96   2HB   CYS  11          2HB       CYS  11  -0.757  -2.393  -2.393
   97    H    GLU  12           H        GLU  12  -1.234  -4.810  -4.810
   98    HA   GLU  12           HA       GLU  12   0.367  -2.589  -2.589
   99   1HB   GLU  12          1HB       GLU  12   0.028  -5.211  -5.211
  100   2HB   GLU  12          2HB       GLU  12   1.081  -3.852  -3.852
  101   1HG   GLU  12          1HG       GLU  12   2.311  -4.279  -4.279
  102   2HG   GLU  12          2HG       GLU  12   1.353  -5.763  -5.763
  103    H    HIS  13           H        HIS  13  -2.085  -1.917  -1.917
  104    HA   HIS  13           HA       HIS  13  -3.627  -1.982  -1.982
  105   1HB   HIS  13          1HB       HIS  13  -4.717  -1.346  -1.346
  106   2HB   HIS  13          2HB       HIS  13  -5.623  -1.557  -1.557
  107    HD1  HIS  13           HD1      HIS  13  -4.002  -3.485  -3.485
  108    HD2  HIS  13           HD2      HIS  13  -5.635  -4.221  -4.221
  109    HE1  HIS  13           HE1      HIS  13  -4.204  -6.019  -6.019
  110    HE2  HIS  13           HE2      HIS  13  -5.227  -6.479  -6.479
  111    H    MET  14           H        MET  14  -4.007  -0.034  -0.034
  112    HA   MET  14           HA       MET  14  -2.360   2.196   2.196
  113   1HB   MET  14          1HB       MET  14  -5.105   2.139   2.139
  114   2HB   MET  14          2HB       MET  14  -3.866   3.397   3.397
  115   1HG   MET  14          1HG       MET  14  -2.450   1.906   1.906
  116   2HG   MET  14          2HG       MET  14  -3.465   0.511   0.511
  117   1HE   MET  14          1HE       MET  14  -4.592   4.148   4.148
  118   2HE   MET  14          2HE       MET  14  -3.161   3.784   3.784
  119   3HE   MET  14          3HE       MET  14  -4.776   3.852   3.852
  120    H    THR  15           H        THR  15  -2.926   4.345   4.345
  121    HA   THR  15           HA       THR  15  -4.510   4.250   4.250
  122    HB   THR  15           HB       THR  15  -3.905   6.886   6.886
  123    HG1  THR  15           HG1      THR  15  -3.110   6.572   6.572
  124   1HG2  THR  15          2HG2      THR  15  -1.998   4.634   4.634
  125   2HG2  THR  15          3HG2      THR  15  -1.663   6.363   6.363
  126   3HG2  THR  15          1HG2      THR  15  -3.017   5.594   5.594
  127    H    GLU  16           H        GLU  16  -5.847   4.125   4.125
  128    HA   GLU  16           HA       GLU  16  -7.732   6.286   6.286
  129   1HB   GLU  16          1HB       GLU  16  -8.145   3.522   3.522
  130   2HB   GLU  16          2HB       GLU  16  -8.876   5.043   5.043
  131   1HG   GLU  16          1HG       GLU  16  -5.908   4.371   4.371
  132   2HG   GLU  16          2HG       GLU  16  -7.142   4.128   4.128
  133    H    SER  17           H        SER  17  -7.546   3.086   3.086
  134    HA   SER  17           HA       SER  17 -10.280   2.882   2.882
  135   1HB   SER  17          1HB       SER  17  -9.183   1.359   1.359
  136   2HB   SER  17          2HB       SER  17  -8.962   0.914   0.914
  137    HG   SER  17           HG       SER  17  -7.160   2.506   2.506
  138    HA   PRO  18           HA       PRO  18  -9.844   5.916   5.916
  139   1HB   PRO  18          1HB       PRO  18 -12.346   5.783   5.783
  140   2HB   PRO  18          2HB       PRO  18 -12.020   6.541   6.541
  141   1HG   PRO  18          1HG       PRO  18 -12.985   3.710   3.710
  142   2HG   PRO  18          2HG       PRO  18 -13.698   4.930   4.930
  143   1HD   PRO  18          1HD       PRO  18 -11.927   3.005   3.005
  144   2HD   PRO  18          2HD       PRO  18 -11.966   4.627   4.627
  145    H    ASP  19           H        ASP  19 -10.904   5.311   5.311
  146    HA   ASP  19           HA       ASP  19  -9.500   2.907   2.907
  147   1HB   ASP  19          1HB       ASP  19  -9.959   4.714   4.714
  148   2HB   ASP  19          2HB       ASP  19 -11.688   4.494   4.494
  149    H    CYS  20           H        CYS  20 -10.422   0.922   0.922
  150    HA   CYS  20           HA       CYS  20 -12.045   0.208   0.208
  151   1HB   CYS  20          1HB       CYS  20 -10.607  -1.436  -1.436
  152   2HB   CYS  20          2HB       CYS  20 -11.470  -2.107  -2.107
  153    H    SER  21           H        SER  21 -13.950   1.354   1.354
  154    HA   SER  21           HA       SER  21 -16.077   1.321   1.321
  155   1HB   SER  21          1HB       SER  21 -16.379  -1.059  -1.059
  156   2HB   SER  21          2HB       SER  21 -15.678  -1.540  -1.540
  157    HG   SER  21           HG       SER  21 -17.927  -1.506  -1.506
  158    H    ARG  22           H        ARG  22 -16.850   0.579   0.579
  159    HA   ARG  22           HA       ARG  22 -15.325   2.568   2.568
  160   1HB   ARG  22          1HB       ARG  22 -17.896   1.488   1.488
  161   2HB   ARG  22          2HB       ARG  22 -17.013   2.929   2.929
  162   1HG   ARG  22          1HG       ARG  22 -18.531   3.899   3.899
  163   2HG   ARG  22          2HG       ARG  22 -17.258   3.645   3.645
  164   1HD   ARG  22          1HD       ARG  22 -19.476   3.121   3.121
  165   2HD   ARG  22          2HD       ARG  22 -18.467   1.711   1.711
  166    HE   ARG  22           HE       ARG  22 -20.757   2.290   2.290
  167   1HH1  ARG  22          2HH2      ARG  22 -18.549  -0.222  -0.222
  168   2HH1  ARG  22          1HH2      ARG  22 -18.714  -1.213  -1.213
  169   1HH2  ARG  22          2HH1      ARG  22 -21.262   0.786   0.786
  170   2HH2  ARG  22          1HH1      ARG  22 -20.467  -0.748  -0.748
  171    H    ILE  23           H        ILE  23 -14.000   0.212   0.212
  172    HA   ILE  23           HA       ILE  23 -14.471  -1.648  -1.648
  173    HB   ILE  23           HB       ILE  23 -12.286  -1.720  -1.720
  174   1HG1  ILE  23          1HG1      ILE  23 -15.095  -2.933  -2.933
  175   2HG1  ILE  23          2HG1      ILE  23 -14.495  -1.781  -1.781
  176   1HG2  ILE  23          1HG2      ILE  23 -11.898  -3.012  -3.012
  177   2HG2  ILE  23          2HG2      ILE  23 -13.432  -3.864  -3.864
  178   3HG2  ILE  23          3HG2      ILE  23 -12.089  -4.071  -4.071
  179   1HD1  ILE  23          3HD1      ILE  23 -12.814  -3.549  -3.549
  180   2HD1  ILE  23          1HD1      ILE  23 -13.728  -4.683  -4.683
  181   3HD1  ILE  23          2HD1      ILE  23 -14.527  -3.892  -3.892
  182    H    TYR  24           H        TYR  24 -14.304  -0.053  -0.053
  183    HA   TYR  24           HA       TYR  24 -11.689   0.890   0.890
  184   1HB   TYR  24          1HB       TYR  24 -14.034   1.707   1.707
  185   2HB   TYR  24          2HB       TYR  24 -14.080   0.349   0.349
  186    HD1  TYR  24           HD1      TYR  24 -11.681   0.175   0.175
  187    HD2  TYR  24           HD2      TYR  24 -13.545   3.723   3.723
  188    HE1  TYR  24           HE1      TYR  24 -10.167   1.547   1.547
  189    HE2  TYR  24           HE2      TYR  24 -12.080   5.111   5.111
  190    HH   TYR  24           HH       TYR  24  -9.255   3.726   3.726
  191    H    ASP  25           H        ASP  25 -10.377  -0.903  -0.903
  192    HA   ASP  25           HA       ASP  25 -10.507  -3.123  -3.123
  193   1HB   ASP  25          1HB       ASP  25 -11.523  -3.966  -3.966
  194   2HB   ASP  25          2HB       ASP  25 -10.100  -3.438  -3.438
  195    HA   PRO  26           HA       PRO  26  -6.890  -0.473  -0.473
  196   1HB   PRO  26          1HB       PRO  26  -6.067   0.041   0.041
  197   2HB   PRO  26          2HB       PRO  26  -7.417   0.882   0.882
  198   1HG   PRO  26          1HG       PRO  26  -7.571  -1.603  -1.603
  199   2HG   PRO  26          2HG       PRO  26  -8.520  -0.099  -0.099
  200   1HD   PRO  26          1HD       PRO  26  -9.606  -2.156  -2.156
  201   2HD   PRO  26          2HD       PRO  26  -9.703  -0.540  -0.540
  202    H    VAL  27           H        VAL  27  -4.577  -0.391  -0.391
  203    HA   VAL  27           HA       VAL  27  -3.299  -2.803  -2.803
  204    HB   VAL  27           HB       VAL  27  -2.012  -3.162  -3.162
  205   1HG1  VAL  27          1HG1      VAL  27  -4.088  -4.539  -4.539
  206   2HG1  VAL  27          2HG1      VAL  27  -4.993  -3.398  -3.398
  207   3HG1  VAL  27          3HG1      VAL  27  -3.670  -4.339  -4.339
  208   1HG2  VAL  27          2HG2      VAL  27  -2.344  -0.858  -0.858
  209   2HG2  VAL  27          3HG2      VAL  27  -2.662  -2.179  -2.179
  210   3HG2  VAL  27          1HG2      VAL  27  -4.014  -1.300  -1.300
  211    H    CYS  28           H        CYS  28  -1.022  -2.458  -2.458
  212    HA   CYS  28           HA       CYS  28  -0.395   0.401   0.401
  213   1HB   CYS  28          1HB       CYS  28  -0.344  -1.039  -1.039
  214   2HB   CYS  28          2HB       CYS  28   0.756  -2.161  -2.161
  215    H    GLY  29           H        GLY  29   1.003   1.446   1.446
  216   1HA   GLY  29          1HA       GLY  29   2.675   0.074   0.074
  217   2HA   GLY  29          2HA       GLY  29   2.621   1.794   1.794
  218    H    THR  30           H        THR  30   4.983  -0.027  -0.027
  219    HA   THR  30           HA       THR  30   6.367  -0.420  -0.420
  220    HB   THR  30           HB       THR  30   8.404  -0.068  -0.068
  221    HG1  THR  30           HG1      THR  30   7.298   0.894   0.894
  222   1HG2  THR  30          1HG2      THR  30   6.377  -2.317  -2.317
  223   2HG2  THR  30          2HG2      THR  30   8.061  -2.342  -2.342
  224   3HG2  THR  30          3HG2      THR  30   7.757  -2.234  -2.234
  225    H    ASP  31           H        ASP  31   5.656   2.575   2.575
  226    HA   ASP  31           HA       ASP  31   7.868   3.990   3.990
  227   1HB   ASP  31          1HB       ASP  31   6.739   5.995   5.995
  228   2HB   ASP  31          2HB       ASP  31   6.999   4.881   4.881
  229    H    GLY  32           H        GLY  32   4.735   2.723   2.723
  230   1HA   GLY  32          1HA       GLY  32   3.787   2.546   2.546
  231   2HA   GLY  32          2HA       GLY  32   4.769   3.893   3.893
  232    H    VAL  33           H        VAL  33   3.135   4.202   4.202
  233    HA   VAL  33           HA       VAL  33   0.995   5.870   5.870
  234    HB   VAL  33           HB       VAL  33   1.972   5.545   5.545
  235   1HG1  VAL  33          2HG1      VAL  33  -0.278   7.255   7.255
  236   2HG1  VAL  33          3HG1      VAL  33   0.361   7.359   7.359
  237   3HG1  VAL  33          1HG1      VAL  33  -0.457   5.886   5.886
  238   1HG2  VAL  33          3HG2      VAL  33   3.439   6.939   6.939
  239   2HG2  VAL  33          1HG2      VAL  33   2.612   7.930   7.930
  240   3HG2  VAL  33          2HG2      VAL  33   2.027   7.906   7.906
  241    H    THR  34           H        THR  34  -0.769   4.697   4.697
  242    HA   THR  34           HA       THR  34  -1.387   2.160   2.160
  243    HB   THR  34           HB       THR  34  -2.795   3.722   3.722
  244    HG1  THR  34           HG1      THR  34  -1.718   2.370   2.370
  245   1HG2  THR  34          3HG2      THR  34  -4.345   2.182   2.182
  246   2HG2  THR  34          1HG2      THR  34  -3.254   0.835   0.835
  247   3HG2  THR  34          2HG2      THR  34  -4.099   1.729   1.729
  248    H    TYR  35           H        TYR  35  -3.071   1.879   1.879
  249    HA   TYR  35           HA       TYR  35  -4.400   4.340   4.340
  250   1HB   TYR  35          1HB       TYR  35  -3.362   1.859   1.859
  251   2HB   TYR  35          2HB       TYR  35  -4.456   3.028   3.028
  252    HD1  TYR  35           HD2      TYR  35  -1.033   2.666   2.666
  253    HD2  TYR  35           HD1      TYR  35  -3.680   5.083   5.083
  254    HE1  TYR  35           HE2      TYR  35   0.904   3.984   3.984
  255    HE2  TYR  35           HE1      TYR  35  -1.769   6.433   6.433
  256    HH   TYR  35           HH       TYR  35   0.449   6.898   6.898
  257    H    GLU  36           H        GLU  36  -6.542   4.081   4.081
  258    HA   GLU  36           HA       GLU  36  -8.161   2.383   2.383
  259   1HB   GLU  36          1HB       GLU  36  -8.827   3.784   3.784
  260   2HB   GLU  36          2HB       GLU  36  -9.959   3.001   3.001
  261   1HG   GLU  36          1HG       GLU  36 -10.110   5.321   5.321
  262   2HG   GLU  36          2HG       GLU  36  -9.260   4.598   4.598
  263    H    SER  37           H        SER  37  -6.621   1.677   1.677
  264    HA   SER  37           HA       SER  37  -8.087  -0.860  -0.860
  265   1HB   SER  37          1HB       SER  37  -9.603   0.870   0.870
  266   2HB   SER  37          2HB       SER  37  -8.279   1.528   1.528
  267    HG   SER  37           HG       SER  37  -9.577   0.290   0.290
  268    H    GLU  38           H        GLU  38  -6.760  -2.312  -2.312
  269    HA   GLU  38           HA       GLU  38  -3.989  -1.773  -1.773
  270   1HB   GLU  38          1HB       GLU  38  -4.817  -4.009  -4.009
  271   2HB   GLU  38          2HB       GLU  38  -5.973  -3.884  -3.884
  272   1HG   GLU  38          1HG       GLU  38  -4.143  -3.745  -3.745
  273   2HG   GLU  38          2HG       GLU  38  -2.953  -4.012  -4.012
  274    H    CYS  39           H        CYS  39  -6.792  -1.787  -1.787
  275    HA   CYS  39           HA       CYS  39  -5.686  -1.152  -1.152
  276   1HB   CYS  39          1HB       CYS  39  -8.028  -1.594  -1.594
  277   2HB   CYS  39          2HB       CYS  39  -8.216  -0.059  -0.059
  278    H    LYS  40           H        LYS  40  -6.434   1.140   1.140
  279    HA   LYS  40           HA       LYS  40  -5.428   3.480   3.480
  280   1HB   LYS  40          1HB       LYS  40  -6.001   3.033   3.033
  281   2HB   LYS  40          2HB       LYS  40  -5.515   4.576   4.576
  282   1HG   LYS  40          1HG       LYS  40  -7.504   4.545   4.545
  283   2HG   LYS  40          2HG       LYS  40  -7.999   3.012   3.012
  284   1HD   LYS  40          1HD       LYS  40  -9.140   4.311   4.311
  285   2HD   LYS  40          2HD       LYS  40  -7.596   4.462   4.462
  286   1HE   LYS  40          1HE       LYS  40  -7.131   6.556   6.556
  287   2HE   LYS  40          2HE       LYS  40  -8.745   6.411   6.411
  288   1HZ   LYS  40          1HZ       LYS  40  -8.270   6.691   6.691
  289   2HZ   LYS  40          2HZ       LYS  40  -8.690   7.913   7.913
  290   3HZ   LYS  40          3HZ       LYS  40  -9.723   6.631   6.631
  291    H    LEU  41           H        LEU  41  -4.008   1.275   1.275
  292    HA   LEU  41           HA       LEU  41  -1.582   2.751   2.751
  293   1HB   LEU  41          1HB       LEU  41  -2.122   0.835   0.835
  294   2HB   LEU  41          2HB       LEU  41  -2.039  -0.267  -0.267
  295    HG   LEU  41           HG       LEU  41   0.428   1.393   1.393
  296   1HD1  LEU  41          3HD1      LEU  41  -0.408  -0.709  -0.709
  297   2HD1  LEU  41          1HD1      LEU  41   1.259  -0.131  -0.131
  298   3HD1  LEU  41          2HD1      LEU  41  -0.008   0.981   0.981
  299   1HD2  LEU  41          1HD2      LEU  41  -0.092  -1.588  -1.588
  300   2HD2  LEU  41          2HD2      LEU  41   0.294  -0.437  -0.437
  301   3HD2  LEU  41          3HD2      LEU  41   1.496  -0.803  -0.803
  302    H    CYS  42           H        CYS  42  -2.566   0.309   0.309
  303    HA   CYS  42           HA       CYS  42  -0.129   0.341   0.341
  304   1HB   CYS  42          1HB       CYS  42  -2.899  -0.692  -0.692
  305   2HB   CYS  42          2HB       CYS  42  -1.579  -0.678  -0.678
  306    H    LEU  43           H        LEU  43  -3.210   2.064   2.064
  307    HA   LEU  43           HA       LEU  43  -2.434   3.563   3.563
  308   1HB   LEU  43          1HB       LEU  43  -4.124   4.187   4.187
  309   2HB   LEU  43          2HB       LEU  43  -3.946   5.365   5.365
  310    HG   LEU  43           HG       LEU  43  -5.017   2.568   2.568
  311   1HD1  LEU  43          2HD1      LEU  43  -6.480   5.156   5.156
  312   2HD1  LEU  43          3HD1      LEU  43  -7.238   3.774   3.774
  313   3HD1  LEU  43          1HD1      LEU  43  -6.640   3.592   3.592
  314   1HD2  LEU  43          3HD2      LEU  43  -5.007   5.149   5.149
  315   2HD2  LEU  43          1HD2      LEU  43  -4.107   3.656   3.656
  316   3HD2  LEU  43          2HD2      LEU  43  -5.864   3.655   3.655
  317    H    ALA  44           H        ALA  44  -1.814   4.224   4.224
  318    HA   ALA  44           HA       ALA  44  -0.254   6.526   6.526
  319   1HB   ALA  44          2HB       ALA  44  -1.250   5.944   5.944
  320   2HB   ALA  44          1HB       ALA  44  -0.069   4.634   4.634
  321   3HB   ALA  44          1HB       ALA  44   0.481   6.310   6.310
  322    H    ARG  45           H        ARG  45   0.755   3.049   3.049
  323    HA   ARG  45           HA       ARG  45   3.544   3.507   3.507
  324   1HB   ARG  45          1HB       ARG  45   1.962   1.325   1.325
  325   2HB   ARG  45          2HB       ARG  45   3.712   1.397   1.397
  326   1HG   ARG  45          1HG       ARG  45   3.683   1.098   1.098
  327   2HG   ARG  45          2HG       ARG  45   1.955   1.269   1.269
  328   1HD   ARG  45          1HD       ARG  45   2.455  -1.097  -1.097
  329   2HD   ARG  45          2HD       ARG  45   1.640  -0.744  -0.744
  330    HE   ARG  45           HE       ARG  45   3.177  -1.641  -1.641
  331   1HH1  ARG  45          2HH2      ARG  45   4.606  -1.206  -1.206
  332   2HH1  ARG  45          1HH2      ARG  45   6.108  -2.016  -2.016
  333   1HH2  ARG  45          2HH1      ARG  45   4.855  -3.009  -3.009
  334   2HH2  ARG  45          1HH1      ARG  45   6.367  -2.864  -2.864
  335    H    ILE  46           H        ILE  46   1.066   3.492   3.492
  336    HA   ILE  46           HA       ILE  46   2.939   3.988   3.988
  337    HB   ILE  46           HB       ILE  46  -0.082   4.388   4.388
  338   1HG1  ILE  46          1HG1      ILE  46   1.359   2.067   2.067
  339   2HG1  ILE  46          2HG1      ILE  46   0.929   1.986   1.986
  340   1HG2  ILE  46          3HG2      ILE  46   1.867   4.300   4.300
  341   2HG2  ILE  46          1HG2      ILE  46   0.110   4.222   4.222
  342   3HG2  ILE  46          2HG2      ILE  46   0.852   5.672   5.672
  343   1HD1  ILE  46          1HD1      ILE  46  -1.448   2.434   2.434
  344   2HD1  ILE  46          2HD1      ILE  46  -1.046   2.371   2.371
  345   3HD1  ILE  46          3HD1      ILE  46  -0.824   0.939   0.939
  346    H    GLU  47           H        GLU  47   0.514   6.177   6.177
  347    HA   GLU  47           HA       GLU  47   1.315   8.493   8.493
  348   1HB   GLU  47          1HB       GLU  47   0.137   8.160   8.160
  349   2HB   GLU  47          2HB       GLU  47   0.279   9.686   9.686
  350   1HG   GLU  47          1HG       GLU  47  -1.086   8.647   8.647
  351   2HG   GLU  47          2HG       GLU  47  -1.394   7.263   7.263
  352    H    ASN  48           H        ASN  48   2.559   7.152   7.152
  353    HA   ASN  48           HA       ASN  48   4.320   9.447   9.447
  354   1HB   ASN  48          1HB       ASN  48   4.223   6.754   6.754
  355   2HB   ASN  48          2HB       ASN  48   5.360   8.036   8.036
  356   1HD2  ASN  48          2HD2      ASN  48   1.402   8.751   8.751
  357   2HD2  ASN  48          1HD2      ASN  48   1.840   7.526   7.526
  358    H    LYS  49           H        LYS  49   4.487   6.643   6.643
  359    HA   LYS  49           HA       LYS  49   6.152   5.516   5.516
  360   1HB   LYS  49          1HB       LYS  49   7.494   8.260   8.260
  361   2HB   LYS  49          2HB       LYS  49   8.273   6.826   6.826
  362   1HG   LYS  49          1HG       LYS  49   7.374   7.766   7.766
  363   2HG   LYS  49          2HG       LYS  49   6.240   6.463   6.463
  364   1HD   LYS  49          1HD       LYS  49   4.853   8.326   8.326
  365   2HD   LYS  49          2HD       LYS  49   5.898   9.480   9.480
  366   1HE   LYS  49          1HE       LYS  49   4.117   7.329   7.329
  367   2HE   LYS  49          2HE       LYS  49   3.801   9.059   9.059
  368   1HZ   LYS  49          3HZ       LYS  49   5.928   9.306   9.306
  369   2HZ   LYS  49          1HZ       LYS  49   5.849   7.679   7.679
  370   3HZ   LYS  49          2HZ       LYS  49   4.628   8.693   8.693
  371    H    GLN  50           H        GLN  50   5.830   4.805   4.805
  372    HA   GLN  50           HA       GLN  50   8.589   4.405   4.405
  373   1HB   GLN  50          1HB       GLN  50   6.118   5.289   5.289
  374   2HB   GLN  50          2HB       GLN  50   7.541   4.520   4.520
  375   1HG   GLN  50          1HG       GLN  50   8.964   6.381   6.381
  376   2HG   GLN  50          2HG       GLN  50   7.528   7.173   7.173
  377   1HE2  GLN  50          2HE2      GLN  50   6.929   8.770   8.770
  378   2HE2  GLN  50          1HE2      GLN  50   7.151   8.963   8.963
  379    H    ASP  51           H        ASP  51   8.943   2.289   2.289
  380    HA   ASP  51           HA       ASP  51   6.683   0.394   0.394
  381   1HB   ASP  51          1HB       ASP  51   8.978  -0.143  -0.143
  382   2HB   ASP  51          2HB       ASP  51   9.561  -0.166  -0.166
  383    H    ILE  52           H        ILE  52   5.383   1.280   1.280
  384    HA   ILE  52           HA       ILE  52   6.506   1.190   1.190
  385    HB   ILE  52           HB       ILE  52   3.719   1.944   1.944
  386   1HG1  ILE  52          1HG1      ILE  52   6.068   3.675   3.675
  387   2HG1  ILE  52          2HG1      ILE  52   5.461   3.526   3.526
  388   1HG2  ILE  52          2HG2      ILE  52   3.790   1.044   1.044
  389   2HG2  ILE  52          3HG2      ILE  52   5.016   2.259   2.259
  390   3HG2  ILE  52          1HG2      ILE  52   3.369   2.743   2.743
  391   1HD1  ILE  52          2HD1      ILE  52   3.248   4.428   4.428
  392   2HD1  ILE  52          3HD1      ILE  52   3.990   4.773   4.773
  393   3HD1  ILE  52          1HD1      ILE  52   4.605   5.567   5.567
  394    H    GLN  53           H        GLN  53   6.522  -0.840  -0.840
  395    HA   GLN  53           HA       GLN  53   4.893  -2.976  -2.976
  396   1HB   GLN  53          1HB       GLN  53   7.461  -2.962  -2.962
  397   2HB   GLN  53          2HB       GLN  53   6.670  -3.517  -3.517
  398   1HG   GLN  53          1HG       GLN  53   5.755  -5.424  -5.424
  399   2HG   GLN  53          2HG       GLN  53   6.199  -4.844  -4.844
  400   1HE2  GLN  53          2HE2      GLN  53   8.773  -7.359  -7.359
  401   2HE2  GLN  53          1HE2      GLN  53   7.026  -7.449  -7.449
  402    H    ILE  54           H        ILE  54   3.613  -4.388  -4.388
  403    HA   ILE  54           HA       ILE  54   2.291  -2.725  -2.725
  404    HB   ILE  54           HB       ILE  54   1.627  -5.393  -5.393
  405   1HG1  ILE  54          1HG1      ILE  54   0.139  -2.745  -2.745
  406   2HG1  ILE  54          2HG1      ILE  54   1.173  -3.205  -3.205
  407   1HG2  ILE  54          3HG2      ILE  54   0.339  -3.935  -3.935
  408   2HG2  ILE  54          1HG2      ILE  54  -0.445  -5.265  -5.265
  409   3HG2  ILE  54          2HG2      ILE  54   1.039  -5.570  -5.570
  410   1HD1  ILE  54          3HD1      ILE  54  -0.264  -5.221  -5.221
  411   2HD1  ILE  54          1HD1      ILE  54  -1.408  -4.550  -4.550
  412   3HD1  ILE  54          2HD1      ILE  54  -1.068  -3.665  -3.665
  413    H    VAL  55           H        VAL  55   2.992  -2.918  -2.918
  414    HA   VAL  55           HA       VAL  55   4.999  -4.915  -4.915
  415    HB   VAL  55           HB       VAL  55   3.300  -3.104  -3.104
  416   1HG1  VAL  55          3HG1      VAL  55   5.880  -4.692  -4.692
  417   2HG1  VAL  55          1HG1      VAL  55   5.288  -3.448  -3.448
  418   3HG1  VAL  55          2HG1      VAL  55   4.341  -4.923  -4.923
  419   1HG2  VAL  55          1HG2      VAL  55   6.027  -2.629  -2.629
  420   2HG2  VAL  55          2HG2      VAL  55   4.531  -1.729  -1.729
  421   3HG2  VAL  55          3HG2      VAL  55   5.282  -1.616  -1.616
  422    H    LYS  56           H        LYS  56   1.516  -4.242  -4.242
  423    HA   LYS  56           HA       LYS  56   0.817  -7.022  -7.022
  424   1HB   LYS  56          1HB       LYS  56   0.002  -6.690  -6.690
  425   2HB   LYS  56          2HB       LYS  56   1.758  -6.762  -6.762
  426   1HG   LYS  56          1HG       LYS  56   2.036  -4.478  -4.478
  427   2HG   LYS  56          2HG       LYS  56   0.386  -4.048  -4.048
  428   1HD   LYS  56          1HD       LYS  56   0.864  -5.832  -5.832
  429   2HD   LYS  56          2HD       LYS  56   1.061  -4.081  -4.081
  430   1HE   LYS  56          1HE       LYS  56  -1.297  -3.834  -3.834
  431   2HE   LYS  56          2HE       LYS  56  -1.473  -5.577  -5.577
  432   1HZ   LYS  56          1HZ       LYS  56  -0.844  -3.904  -3.904
  433   2HZ   LYS  56          2HZ       LYS  56  -2.330  -4.425  -4.425
  434   3HZ   LYS  56          3HZ       LYS  56  -1.181  -5.513  -5.513
  435    H    ASP  57           H        ASP  57  -1.518  -7.111  -7.111
  436    HA   ASP  57           HA       ASP  57  -2.945  -5.095  -5.095
  437   1HB   ASP  57          1HB       ASP  57  -3.935  -7.761  -7.761
  438   2HB   ASP  57          2HB       ASP  57  -4.696  -6.734  -6.734
  439    H    GLY  58           H        GLY  58  -4.655  -3.915  -3.915
  440   1HA   GLY  58          1HA       GLY  58  -5.855  -2.885  -2.885
  441   2HA   GLY  58          2HA       GLY  58  -5.409  -4.079  -4.079
  442    H    GLU  59           H        GLU  59  -5.478  -1.626  -1.626
  443    HA   GLU  59           HA       GLU  59  -3.434   0.185   0.185
  444   1HB   GLU  59          1HB       GLU  59  -4.366  -0.623  -0.623
  445   2HB   GLU  59          2HB       GLU  59  -4.060   0.997   0.997
  446   1HG   GLU  59          1HG       GLU  59  -6.498  -0.767  -0.767
  447   2HG   GLU  59          2HG       GLU  59  -6.398   0.690   0.690
  448    H    CYS  60           H        CYS  60  -1.297   0.385   0.385
  449    HA   CYS  60           HA       CYS  60   0.103  -2.080  -2.080
  450   1HB   CYS  60          1HB       CYS  60   0.885   0.672   0.672
  451   2HB   CYS  60          2HB       CYS  60   1.750  -0.170  -0.170