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Test pdb datasets to assess pymol h_add command efficiency

Thomas Forest 5 years ago
parent
d653cbda67
commit
af61b12a93
7 changed files with 8038 additions and 0 deletions
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1bta_pymol.pdb


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data/1bta.pdb


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data/1bta_H_reduce.pdb


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data/1bta_without_H.pdb View File

1 
+HEADER    RIBONUCLEASE INHIBITOR                  09-MAY-94   1BTA
2 
+TITLE     THREE-DIMENSIONAL SOLUTION STRUCTURE AND 13C ASSIGNMENTS OF
3 
+TITLE    2 BARSTAR USING NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
4 
+COMPND    MOL_ID: 1;
5 
+COMPND   2 MOLECULE: BARSTAR;
6 
+COMPND   3 CHAIN: A;
7 
+COMPND   4 ENGINEERED: YES
8 
+SOURCE    MOL_ID: 1;
9 
+SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS;
10 
+SOURCE   3 ORGANISM_TAXID: 1390
11 
+KEYWDS    RIBONUCLEASE INHIBITOR
12 
+EXPDTA    SOLUTION NMR
13 
+AUTHOR    M.J.LUBIENSKI,M.BYCROFT,S.M.V.FREUND,A.R.FERSHT
14 
+REVDAT   2   24-FEB-09 1BTA    1       VERSN
15 
+REVDAT   1   31-JUL-94 1BTA    0
16 
+JRNL        AUTH   M.J.LUBIENSKI,M.BYCROFT,S.M.FREUND,A.R.FERSHT
17 
+JRNL        TITL   THREE-DIMENSIONAL SOLUTION STRUCTURE AND 13C
18 
+JRNL        TITL 2 ASSIGNMENTS OF BARSTAR USING NUCLEAR MAGNETIC
19 
+JRNL        TITL 3 RESONANCE SPECTROSCOPY.
20 
+JRNL        REF    BIOCHEMISTRY                  V.  33  8866 1994
21 
+JRNL        REFN                   ISSN 0006-2960
22 
+JRNL        PMID   8043574
23 
+JRNL        DOI    10.1021/BI00196A003
24 
+REMARK   1
25 
+REMARK   1 REFERENCE 1
26 
+REMARK   1  AUTH   R.W.HARTLEY
27 
+REMARK   1  TITL   BARNASE AND BARSTAR: TWO SMALL PROTEINS TO FOLD
28 
+REMARK   1  TITL 2 AND FIT TOGETHER
29 
+REMARK   1  REF    TRENDS BIOCHEM.SCI.           V.  14   450 1989
30 
+REMARK   1  REFN                   ISSN 0968-0004
31 
+REMARK   2
32 
+REMARK   2 RESOLUTION. NOT APPLICABLE.
33 
+REMARK   3
34 
+REMARK   3 REFINEMENT.
35 
+REMARK   3   PROGRAM     : X-PLOR
36 
+REMARK   3   AUTHORS     : BRUNGER
37 
+REMARK   3
38 
+REMARK   3  OTHER REFINEMENT REMARKS: NULL
39 
+REMARK   4
40 
+REMARK   4 1BTA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
41 
+REMARK 100
42 
+REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
43 
+REMARK 210
44 
+REMARK 210 EXPERIMENTAL DETAILS
45 
+REMARK 210  EXPERIMENT TYPE                : NMR
46 
+REMARK 210  TEMPERATURE           (KELVIN) : NULL
47 
+REMARK 210  PH                             : NULL
48 
+REMARK 210  IONIC STRENGTH                 : NULL
49 
+REMARK 210  PRESSURE                       : NULL
50 
+REMARK 210  SAMPLE CONTENTS                : NULL
51 
+REMARK 210
52 
+REMARK 210  NMR EXPERIMENTS CONDUCTED      : NULL
53 
+REMARK 210  SPECTROMETER FIELD STRENGTH    : NULL
54 
+REMARK 210  SPECTROMETER MODEL             : NULL
55 
+REMARK 210  SPECTROMETER MANUFACTURER      : NULL
56 
+REMARK 210
57 
+REMARK 210  STRUCTURE DETERMINATION.
58 
+REMARK 210   SOFTWARE USED                 : NULL
59 
+REMARK 210   METHOD USED                   : NULL
60 
+REMARK 210
61 
+REMARK 210 CONFORMERS, NUMBER CALCULATED   : NULL
62 
+REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1
63 
+REMARK 210 CONFORMERS, SELECTION CRITERIA  : NULL
64 
+REMARK 210
65 
+REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
66 
+REMARK 210
67 
+REMARK 210 REMARK: NULL
68 
+REMARK 215
69 
+REMARK 215 NMR STUDY
70 
+REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
71 
+REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
72 
+REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
73 
+REMARK 215 THESE RECORDS ARE MEANINGLESS.
74 
+REMARK 500
75 
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
76 
+REMARK 500 SUBTOPIC: TORSION ANGLES
77 
+REMARK 500
78 
+REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
79 
+REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
80 
+REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
81 
+REMARK 500
82 
+REMARK 500 STANDARD TABLE:
83 
+REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
84 
+REMARK 500
85 
+REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
86 
+REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
87 
+REMARK 500
88 
+REMARK 500  M RES CSSEQI        PSI       PHI
89 
+REMARK 500    PRO A  27     -179.66    -57.36
90 
+REMARK 500    TYR A  30      105.85    -38.41
91 
+REMARK 500    GLU A  32        3.60     50.07
92 
+REMARK 500    TRP A  44      -66.63    177.13
93 
+REMARK 500    LEU A  62      -32.03    -33.51
94 
+REMARK 500    GLU A  64      106.99    -12.37
95 
+REMARK 500    ASN A  65       32.13     73.69
96 
+REMARK 500    ASP A  83       65.33   -109.29
97 
+REMARK 500    THR A  85       98.90    -52.92
98 
+REMARK 500
99 
+REMARK 500 REMARK: NULL
100 
+REMARK 500
101 
+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
102 
+REMARK 500 SUBTOPIC: PLANAR GROUPS
103 
+REMARK 500
104 
+REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
105 
+REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
106 
+REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
107 
+REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
108 
+REMARK 500 AN RMSD GREATER THAN THIS VALUE
109 
+REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
110 
+REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
111 
+REMARK 500
112 
+REMARK 500  M RES CSSEQI        RMS     TYPE
113 
+REMARK 500    ARG A  11         0.17    SIDE_CHAIN
114 
+REMARK 500    ARG A  54         0.31    SIDE_CHAIN
115 
+REMARK 500    ARG A  75         0.11    SIDE_CHAIN
116 
+REMARK 500
117 
+REMARK 500 REMARK: NULL
118 
+REMARK 900
119 
+REMARK 900 RELATED ENTRIES
120 
+REMARK 900 RELATED ID: 1BTB   RELATED DB: PDB
121 
+DBREF  1BTA A    1    89  UNP    P11540   BARS_BACAM       1     89
122 
+SEQRES   1 A   89  LYS LYS ALA VAL ILE ASN GLY GLU GLN ILE ARG SER ILE
123 
+SEQRES   2 A   89  SER ASP LEU HIS GLN THR LEU LYS LYS GLU LEU ALA LEU
124 
+SEQRES   3 A   89  PRO GLU TYR TYR GLY GLU ASN LEU ASP ALA LEU TRP ASP
125 
+SEQRES   4 A   89  CYS LEU THR GLY TRP VAL GLU TYR PRO LEU VAL LEU GLU
126 
+SEQRES   5 A   89  TRP ARG GLN PHE GLU GLN SER LYS GLN LEU THR GLU ASN
127 
+SEQRES   6 A   89  GLY ALA GLU SER VAL LEU GLN VAL PHE ARG GLU ALA LYS
128 
+SEQRES   7 A   89  ALA GLU GLY CYS ASP ILE THR ILE ILE LEU SER
129 
+HELIX    1  H1 SER A   14  ALA A   25  1                                  12
130 
+HELIX    2  H2 ASN A   33  GLY A   43  1                                  11
131 
+HELIX    3  H3 PHE A   56  THR A   63  1                                   8
132 
+HELIX    4  H4 GLU A   68  GLY A   81  1                                  14
133 
+SHEET    1 SH1 3 LYS A   1  ASN A   6  0
134 
+SHEET    2 SH1 3 LEU A  49  ARG A  54  1
135 
+SHEET    3 SH1 3 ASP A  83  SER A  89  1
136 
+CISPEP   1 TYR A   47    PRO A   48          0         0.92
137 
+CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1
138 
+ORIGX1      1.000000  0.000000  0.000000        0.00000
139 
+ORIGX2      0.000000  1.000000  0.000000        0.00000
140 
+ORIGX3      0.000000  0.000000  1.000000        0.00000
141 
+SCALE1      1.000000  0.000000  0.000000        0.00000
142 
+SCALE2      0.000000  1.000000  0.000000        0.00000
143 
+SCALE3      0.000000  0.000000  1.000000        0.00000
144 
+ATOM      1  N   LYS A   1      -8.655   5.770   8.371  1.00  1.40           N
145 
+ATOM      2  CA  LYS A   1      -7.542   5.187   9.163  1.00  0.52           C
146 
+ATOM      3  C   LYS A   1      -6.210   5.619   8.561  1.00  0.39           C
147 
+ATOM      4  O   LYS A   1      -6.156   6.468   7.693  1.00  0.33           O
148 
+ATOM      5  CB  LYS A   1      -7.641   3.666   9.159  1.00  1.53           C
149 
+ATOM      6  CG  LYS A   1      -7.750   3.179  10.602  1.00  2.38           C
150 
+ATOM      7  CD  LYS A   1      -9.158   3.466  11.126  1.00  3.11           C
151 
+ATOM      8  CE  LYS A   1      -9.145   4.744  11.965  1.00  3.58           C
152 
+ATOM      9  NZ  LYS A   1      -9.497   4.416  13.375  1.00  4.21           N
153 
+ATOM     25  N   LYS A   2      -5.128   5.066   9.028  1.00  0.51           N
154 
+ATOM     26  CA  LYS A   2      -3.813   5.485   8.490  1.00  0.44           C
155 
+ATOM     27  C   LYS A   2      -2.931   4.277   8.172  1.00  0.41           C
156 
+ATOM     28  O   LYS A   2      -3.040   3.218   8.757  1.00  0.58           O
157 
+ATOM     29  CB  LYS A   2      -3.138   6.383   9.534  1.00  0.63           C
158 
+ATOM     30  CG  LYS A   2      -1.624   6.134   9.604  1.00  1.04           C
159 
+ATOM     31  CD  LYS A   2      -0.967   7.224  10.453  1.00  0.93           C
160 
+ATOM     32  CE  LYS A   2       0.116   7.929   9.634  1.00  0.63           C
161 
+ATOM     33  NZ  LYS A   2       1.057   8.630  10.551  1.00  1.43           N
162 
+ATOM     47  N   ALA A   3      -2.040   4.474   7.250  1.00  0.27           N
163 
+ATOM     48  CA  ALA A   3      -1.086   3.403   6.848  1.00  0.30           C
164 
+ATOM     49  C   ALA A   3       0.316   4.013   6.751  1.00  0.30           C
165 
+ATOM     50  O   ALA A   3       0.469   5.207   6.586  1.00  0.54           O
166 
+ATOM     51  CB  ALA A   3      -1.491   2.834   5.486  1.00  0.34           C
167 
+ATOM     57  N   VAL A   4       1.342   3.214   6.860  1.00  0.30           N
168 
+ATOM     58  CA  VAL A   4       2.725   3.769   6.780  1.00  0.27           C
169 
+ATOM     59  C   VAL A   4       3.643   2.773   6.074  1.00  0.26           C
170 
+ATOM     60  O   VAL A   4       3.842   1.667   6.535  1.00  0.33           O
171 
+ATOM     61  CB  VAL A   4       3.250   4.021   8.194  1.00  0.30           C
172 
+ATOM     62  CG1 VAL A   4       4.617   4.709   8.122  1.00  0.35           C
173 
+ATOM     63  CG2 VAL A   4       2.262   4.915   8.946  1.00  0.35           C
174 
+ATOM     73  N   ILE A   5       4.210   3.153   4.961  1.00  0.23           N
175 
+ATOM     74  CA  ILE A   5       5.117   2.213   4.245  1.00  0.23           C
176 
+ATOM     75  C   ILE A   5       6.570   2.567   4.552  1.00  0.25           C
177 
+ATOM     76  O   ILE A   5       7.176   3.388   3.893  1.00  0.27           O
178 
+ATOM     77  CB  ILE A   5       4.879   2.300   2.742  1.00  0.23           C
179 
+ATOM     78  CG1 ILE A   5       3.360   2.231   2.478  1.00  0.23           C
180 
+ATOM     79  CG2 ILE A   5       5.620   1.142   2.061  1.00  0.24           C
181 
+ATOM     80  CD1 ILE A   5       3.034   1.246   1.346  1.00  0.22           C
182 
+ATOM     92  N   ASN A   6       7.134   1.947   5.547  1.00  0.27           N
183 
+ATOM     93  CA  ASN A   6       8.545   2.232   5.905  1.00  0.31           C
184 
+ATOM     94  C   ASN A   6       9.466   1.399   5.009  1.00  0.31           C
185 
+ATOM     95  O   ASN A   6       9.611   0.207   5.189  1.00  0.35           O
186 
+ATOM     96  CB  ASN A   6       8.759   1.859   7.370  1.00  0.37           C
187 
+ATOM     97  CG  ASN A   6       8.067   2.890   8.264  1.00  0.65           C
188 
+ATOM     98  OD1 ASN A   6       7.534   3.869   7.782  1.00  1.48           O
189 
+ATOM     99  ND2 ASN A   6       8.054   2.711   9.557  1.00  1.13           N
190 
+ATOM    106  N   GLY A   7      10.078   2.017   4.035  1.00  0.33           N
191 
+ATOM    107  CA  GLY A   7      10.976   1.261   3.114  1.00  0.36           C
192 
+ATOM    108  C   GLY A   7      12.182   0.718   3.879  1.00  0.35           C
193 
+ATOM    109  O   GLY A   7      12.583  -0.414   3.694  1.00  0.46           O
194 
+ATOM    113  N   GLU A   8      12.767   1.509   4.735  1.00  0.38           N
195 
+ATOM    114  CA  GLU A   8      13.946   1.022   5.505  1.00  0.43           C
196 
+ATOM    115  C   GLU A   8      13.659  -0.390   6.019  1.00  0.39           C
197 
+ATOM    116  O   GLU A   8      14.559  -1.170   6.260  1.00  0.45           O
198 
+ATOM    117  CB  GLU A   8      14.207   1.950   6.696  1.00  0.53           C
199 
+ATOM    118  CG  GLU A   8      14.064   3.409   6.256  1.00  1.39           C
200 
+ATOM    119  CD  GLU A   8      14.660   4.324   7.328  1.00  1.74           C
201 
+ATOM    120  OE1 GLU A   8      14.225   4.232   8.464  1.00  2.30           O
202 
+ATOM    121  OE2 GLU A   8      15.540   5.100   6.994  1.00  2.19           O
203 
+ATOM    128  N   GLN A   9      12.408  -0.720   6.195  1.00  0.35           N
204 
+ATOM    129  CA  GLN A   9      12.051  -2.069   6.699  1.00  0.38           C
205 
+ATOM    130  C   GLN A   9      11.745  -3.001   5.523  1.00  0.35           C
206 
+ATOM    131  O   GLN A   9      12.213  -4.121   5.468  1.00  0.40           O
207 
+ATOM    132  CB  GLN A   9      10.811  -1.937   7.578  1.00  0.43           C
208 
+ATOM    133  CG  GLN A   9      11.027  -0.819   8.600  1.00  0.50           C
209 
+ATOM    134  CD  GLN A   9      11.790  -1.365   9.805  1.00  1.06           C
210 
+ATOM    135  OE1 GLN A   9      12.979  -1.155   9.931  1.00  1.97           O
211 
+ATOM    136  NE2 GLN A   9      11.151  -2.059  10.705  1.00  1.49           N
212 
+ATOM    145  N   ILE A  10      10.952  -2.550   4.591  1.00  0.32           N
213 
+ATOM    146  CA  ILE A  10      10.597  -3.408   3.424  1.00  0.34           C
214 
+ATOM    147  C   ILE A  10      11.825  -4.171   2.934  1.00  0.31           C
215 
+ATOM    148  O   ILE A  10      12.893  -3.617   2.765  1.00  0.35           O
216 
+ATOM    149  CB  ILE A  10      10.059  -2.546   2.281  1.00  0.37           C
217 
+ATOM    150  CG1 ILE A  10       8.683  -2.005   2.655  1.00  0.51           C
218 
+ATOM    151  CG2 ILE A  10       9.933  -3.402   1.018  1.00  0.35           C
219 
+ATOM    152  CD1 ILE A  10       7.689  -3.158   2.715  1.00  0.78           C
220 
+ATOM    164  N   ARG A  11      11.668  -5.440   2.692  1.00  0.33           N
221 
+ATOM    165  CA  ARG A  11      12.794  -6.261   2.200  1.00  0.37           C
222 
+ATOM    166  C   ARG A  11      12.423  -6.834   0.830  1.00  0.39           C
223 
+ATOM    167  O   ARG A  11      13.251  -7.368   0.120  1.00  0.48           O
224 
+ATOM    168  CB  ARG A  11      13.035  -7.400   3.184  1.00  0.50           C
225 
+ATOM    169  CG  ARG A  11      13.677  -6.844   4.458  1.00  0.57           C
226 
+ATOM    170  CD  ARG A  11      15.105  -7.376   4.589  1.00  1.27           C
227 
+ATOM    171  NE  ARG A  11      15.489  -7.404   6.030  1.00  1.87           N
228 
+ATOM    172  CZ  ARG A  11      16.544  -8.065   6.417  1.00  2.53           C
229 
+ATOM    173  NH1 ARG A  11      16.881  -9.170   5.815  1.00  3.26           N
230 
+ATOM    174  NH2 ARG A  11      17.261  -7.620   7.412  1.00  2.99           N
231 
+ATOM    188  N   SER A  12      11.174  -6.725   0.458  1.00  0.37           N
232 
+ATOM    189  CA  SER A  12      10.732  -7.258  -0.860  1.00  0.45           C
233 
+ATOM    190  C   SER A  12       9.270  -6.869  -1.096  1.00  0.42           C
234 
+ATOM    191  O   SER A  12       8.619  -6.289  -0.242  1.00  0.37           O
235 
+ATOM    192  CB  SER A  12      10.862  -8.781  -0.865  1.00  0.56           C
236 
+ATOM    193  OG  SER A  12      11.282  -9.221   0.419  1.00  1.44           O
237 
+ATOM    199  N   ILE A  13       8.741  -7.185  -2.245  1.00  0.47           N
238 
+ATOM    200  CA  ILE A  13       7.324  -6.831  -2.520  1.00  0.46           C
239 
+ATOM    201  C   ILE A  13       6.445  -7.446  -1.435  1.00  0.41           C
240 
+ATOM    202  O   ILE A  13       5.579  -6.799  -0.887  1.00  0.36           O
241 
+ATOM    203  CB  ILE A  13       6.908  -7.370  -3.892  1.00  0.56           C
242 
+ATOM    204  CG1 ILE A  13       5.570  -6.749  -4.313  1.00  0.63           C
243 
+ATOM    205  CG2 ILE A  13       6.753  -8.888  -3.812  1.00  0.64           C
244 
+ATOM    206  CD1 ILE A  13       5.564  -5.246  -4.010  1.00  0.57           C
245 
+ATOM    218  N   SER A  14       6.669  -8.690  -1.109  1.00  0.46           N
246 
+ATOM    219  CA  SER A  14       5.851  -9.332  -0.047  1.00  0.44           C
247 
+ATOM    220  C   SER A  14       5.859  -8.424   1.179  1.00  0.37           C
248 
+ATOM    221  O   SER A  14       4.837  -8.162   1.781  1.00  0.35           O
249 
+ATOM    222  CB  SER A  14       6.453 -10.689   0.312  1.00  0.50           C
250 
+ATOM    223  OG  SER A  14       5.481 -11.469   0.996  1.00  1.07           O
251 
+ATOM    229  N   ASP A  15       7.009  -7.928   1.541  1.00  0.34           N
252 
+ATOM    230  CA  ASP A  15       7.097  -7.021   2.709  1.00  0.30           C
253 
+ATOM    231  C   ASP A  15       6.187  -5.819   2.475  1.00  0.24           C
254 
+ATOM    232  O   ASP A  15       5.470  -5.386   3.353  1.00  0.23           O
255 
+ATOM    233  CB  ASP A  15       8.536  -6.538   2.871  1.00  0.30           C
256 
+ATOM    234  CG  ASP A  15       9.056  -6.939   4.254  1.00  0.33           C
257 
+ATOM    235  OD1 ASP A  15       8.483  -7.843   4.840  1.00  1.17           O
258 
+ATOM    236  OD2 ASP A  15      10.015  -6.335   4.705  1.00  1.08           O
259 
+ATOM    241  N   LEU A  16       6.211  -5.283   1.288  1.00  0.25           N
260 
+ATOM    242  CA  LEU A  16       5.347  -4.111   0.980  1.00  0.23           C
261 
+ATOM    243  C   LEU A  16       3.898  -4.464   1.298  1.00  0.22           C
262 
+ATOM    244  O   LEU A  16       3.233  -3.804   2.073  1.00  0.21           O
263 
+ATOM    245  CB  LEU A  16       5.470  -3.779  -0.505  1.00  0.28           C
264 
+ATOM    246  CG  LEU A  16       4.802  -2.436  -0.784  1.00  0.31           C
265 
+ATOM    247  CD1 LEU A  16       5.341  -1.386   0.188  1.00  0.31           C
266 
+ATOM    248  CD2 LEU A  16       5.110  -2.013  -2.219  1.00  0.39           C
267 
+ATOM    260  N   HIS A  17       3.413  -5.509   0.701  1.00  0.22           N
268 
+ATOM    261  CA  HIS A  17       2.018  -5.941   0.944  1.00  0.22           C
269 
+ATOM    262  C   HIS A  17       1.874  -6.363   2.405  1.00  0.19           C
270 
+ATOM    263  O   HIS A  17       0.786  -6.432   2.941  1.00  0.19           O
271 
+ATOM    264  CB  HIS A  17       1.715  -7.120   0.024  1.00  0.26           C
272 
+ATOM    265  CG  HIS A  17       1.994  -6.716  -1.397  1.00  0.32           C
273 
+ATOM    266  ND1 HIS A  17       1.294  -5.699  -2.026  1.00  0.38           N
274 
+ATOM    267  CD2 HIS A  17       2.895  -7.181  -2.324  1.00  0.40           C
275 
+ATOM    268  CE1 HIS A  17       1.779  -5.586  -3.276  1.00  0.44           C
276 
+ATOM    269  NE2 HIS A  17       2.756  -6.465  -3.510  1.00  0.45           N
277 
+ATOM    277  N   GLN A  18       2.969  -6.639   3.055  1.00  0.19           N
278 
+ATOM    278  CA  GLN A  18       2.905  -7.047   4.475  1.00  0.19           C
279 
+ATOM    279  C   GLN A  18       2.501  -5.844   5.322  1.00  0.17           C
280 
+ATOM    280  O   GLN A  18       1.541  -5.888   6.067  1.00  0.18           O
281 
+ATOM    281  CB  GLN A  18       4.275  -7.553   4.927  1.00  0.21           C
282 
+ATOM    282  CG  GLN A  18       4.092  -8.654   5.975  1.00  0.55           C
283 
+ATOM    283  CD  GLN A  18       5.461  -9.139   6.452  1.00  1.31           C
284 
+ATOM    284  OE1 GLN A  18       6.390  -8.363   6.557  1.00  2.11           O
285 
+ATOM    285  NE2 GLN A  18       5.626 -10.399   6.749  1.00  2.02           N
286 
+ATOM    294  N   THR A  19       3.229  -4.764   5.217  1.00  0.17           N
287 
+ATOM    295  CA  THR A  19       2.882  -3.573   6.019  1.00  0.17           C
288 
+ATOM    296  C   THR A  19       1.519  -3.063   5.542  1.00  0.17           C
289 
+ATOM    297  O   THR A  19       0.682  -2.691   6.328  1.00  0.18           O
290 
+ATOM    298  CB  THR A  19       3.976  -2.492   5.860  1.00  0.20           C
291 
+ATOM    299  OG1 THR A  19       4.593  -2.276   7.121  1.00  0.22           O
292 
+ATOM    300  CG2 THR A  19       3.371  -1.165   5.396  1.00  0.21           C
293 
+ATOM    308  N   LEU A  20       1.286  -3.056   4.258  1.00  0.16           N
294 
+ATOM    309  CA  LEU A  20      -0.022  -2.590   3.751  1.00  0.18           C
295 
+ATOM    310  C   LEU A  20      -1.104  -3.472   4.365  1.00  0.17           C
296 
+ATOM    311  O   LEU A  20      -2.183  -3.040   4.683  1.00  0.24           O
297 
+ATOM    312  CB  LEU A  20      -0.050  -2.738   2.232  1.00  0.19           C
298 
+ATOM    313  CG  LEU A  20       0.878  -1.705   1.588  1.00  0.20           C
299 
+ATOM    314  CD1 LEU A  20       0.822  -1.851   0.068  1.00  0.23           C
300 
+ATOM    315  CD2 LEU A  20       0.434  -0.292   1.981  1.00  0.21           C
301 
+ATOM    327  N   LYS A  21      -0.794  -4.716   4.530  1.00  0.16           N
302 
+ATOM    328  CA  LYS A  21      -1.760  -5.680   5.122  1.00  0.16           C
303 
+ATOM    329  C   LYS A  21      -2.011  -5.324   6.586  1.00  0.17           C
304 
+ATOM    330  O   LYS A  21      -3.123  -5.365   7.059  1.00  0.19           O
305 
+ATOM    331  CB  LYS A  21      -1.173  -7.088   5.035  1.00  0.17           C
306 
+ATOM    332  CG  LYS A  21      -2.174  -8.100   5.593  1.00  0.29           C
307 
+ATOM    333  CD  LYS A  21      -1.414  -9.229   6.292  1.00  0.68           C
308 
+ATOM    334  CE  LYS A  21      -2.407 -10.255   6.837  1.00  1.26           C
309 
+ATOM    335  NZ  LYS A  21      -1.733 -11.101   7.860  1.00  1.94           N
310 
+ATOM    349  N   LYS A  22      -0.991  -4.980   7.317  1.00  0.18           N
311 
+ATOM    350  CA  LYS A  22      -1.204  -4.631   8.741  1.00  0.20           C
312 
+ATOM    351  C   LYS A  22      -2.006  -3.335   8.817  1.00  0.23           C
313 
+ATOM    352  O   LYS A  22      -3.074  -3.277   9.390  1.00  0.29           O
314 
+ATOM    353  CB  LYS A  22       0.142  -4.442   9.432  1.00  0.22           C
315 
+ATOM    354  CG  LYS A  22       0.148  -5.278  10.717  1.00  0.83           C
316 
+ATOM    355  CD  LYS A  22       1.553  -5.339  11.302  1.00  1.43           C
317 
+ATOM    356  CE  LYS A  22       1.494  -6.033  12.671  1.00  2.18           C
318 
+ATOM    357  NZ  LYS A  22       2.827  -6.602  13.001  1.00  2.84           N
319 
+ATOM    371  N   GLU A  23      -1.495  -2.303   8.219  1.00  0.22           N
320 
+ATOM    372  CA  GLU A  23      -2.195  -1.004   8.212  1.00  0.26           C
321 
+ATOM    373  C   GLU A  23      -3.621  -1.224   7.716  1.00  0.24           C
322 
+ATOM    374  O   GLU A  23      -4.587  -1.066   8.436  1.00  0.27           O
323 
+ATOM    375  CB  GLU A  23      -1.450  -0.080   7.250  1.00  0.29           C
324 
+ATOM    376  CG  GLU A  23      -0.006   0.098   7.725  1.00  0.35           C
325 
+ATOM    377  CD  GLU A  23       0.032   1.057   8.914  1.00  1.53           C
326 
+ATOM    378  OE1 GLU A  23      -1.026   1.364   9.438  1.00  2.29           O
327 
+ATOM    379  OE2 GLU A  23       1.120   1.471   9.280  1.00  2.27           O
328 
+ATOM    386  N   LEU A  24      -3.737  -1.599   6.480  1.00  0.23           N
329 
+ATOM    387  CA  LEU A  24      -5.066  -1.859   5.871  1.00  0.23           C
330 
+ATOM    388  C   LEU A  24      -5.767  -2.996   6.618  1.00  0.22           C
331 
+ATOM    389  O   LEU A  24      -6.953  -3.209   6.467  1.00  0.24           O
332 
+ATOM    390  CB  LEU A  24      -4.848  -2.277   4.418  1.00  0.21           C
333 
+ATOM    391  CG  LEU A  24      -4.150  -1.150   3.658  1.00  0.25           C
334 
+ATOM    392  CD1 LEU A  24      -3.120  -1.750   2.701  1.00  0.20           C
335 
+ATOM    393  CD2 LEU A  24      -5.184  -0.352   2.862  1.00  0.40           C
336 
+ATOM    405  N   ALA A  25      -5.043  -3.736   7.416  1.00  0.21           N
337 
+ATOM    406  CA  ALA A  25      -5.667  -4.860   8.158  1.00  0.22           C
338 
+ATOM    407  C   ALA A  25      -6.369  -5.796   7.170  1.00  0.21           C
339 
+ATOM    408  O   ALA A  25      -7.501  -6.191   7.366  1.00  0.23           O
340 
+ATOM    409  CB  ALA A  25      -6.670  -4.292   9.152  1.00  0.26           C
341 
+ATOM    415  N   LEU A  26      -5.693  -6.152   6.112  1.00  0.21           N
342 
+ATOM    416  CA  LEU A  26      -6.293  -7.062   5.095  1.00  0.24           C
343 
+ATOM    417  C   LEU A  26      -6.438  -8.468   5.690  1.00  0.28           C
344 
+ATOM    418  O   LEU A  26      -5.795  -8.792   6.669  1.00  0.30           O
345 
+ATOM    419  CB  LEU A  26      -5.371  -7.117   3.872  1.00  0.23           C
346 
+ATOM    420  CG  LEU A  26      -4.954  -5.697   3.483  1.00  0.21           C
347 
+ATOM    421  CD1 LEU A  26      -3.954  -5.751   2.337  1.00  0.26           C
348 
+ATOM    422  CD2 LEU A  26      -6.187  -4.909   3.043  1.00  0.23           C
349 
+ATOM    434  N   PRO A  27      -7.280  -9.262   5.077  1.00  0.34           N
350 
+ATOM    435  CA  PRO A  27      -7.526 -10.643   5.529  1.00  0.41           C
351 
+ATOM    436  C   PRO A  27      -6.221 -11.438   5.555  1.00  0.39           C
352 
+ATOM    437  O   PRO A  27      -5.165 -10.932   5.233  1.00  0.31           O
353 
+ATOM    438  CB  PRO A  27      -8.489 -11.230   4.490  1.00  0.48           C
354 
+ATOM    439  CG  PRO A  27      -8.880 -10.091   3.514  1.00  0.48           C
355 
+ATOM    440  CD  PRO A  27      -8.054  -8.852   3.890  1.00  0.38           C
356 
+ATOM    448  N   GLU A  28      -6.289 -12.685   5.931  1.00  0.50           N
357 
+ATOM    449  CA  GLU A  28      -5.058 -13.519   5.972  1.00  0.53           C
358 
+ATOM    450  C   GLU A  28      -4.729 -13.997   4.558  1.00  0.49           C
359 
+ATOM    451  O   GLU A  28      -3.622 -14.407   4.273  1.00  0.51           O
360 
+ATOM    452  CB  GLU A  28      -5.295 -14.732   6.871  1.00  0.67           C
361 
+ATOM    453  CG  GLU A  28      -5.557 -14.268   8.305  1.00  1.14           C
362 
+ATOM    454  CD  GLU A  28      -5.237 -15.405   9.276  1.00  1.65           C
363 
+ATOM    455  OE1 GLU A  28      -4.380 -16.210   8.953  1.00  2.31           O
364 
+ATOM    456  OE2 GLU A  28      -5.856 -15.452  10.327  1.00  2.20           O
365 
+ATOM    463  N   TYR A  29      -5.686 -13.952   3.671  1.00  0.47           N
366 
+ATOM    464  CA  TYR A  29      -5.426 -14.409   2.279  1.00  0.44           C
367 
+ATOM    465  C   TYR A  29      -5.020 -13.218   1.409  1.00  0.37           C
368 
+ATOM    466  O   TYR A  29      -4.999 -13.312   0.198  1.00  0.38           O
369 
+ATOM    467  CB  TYR A  29      -6.686 -15.061   1.704  1.00  0.51           C
370 
+ATOM    468  CG  TYR A  29      -7.900 -14.250   2.087  1.00  0.66           C
371 
+ATOM    469  CD1 TYR A  29      -8.300 -13.171   1.290  1.00  1.29           C
372 
+ATOM    470  CD2 TYR A  29      -8.627 -14.579   3.237  1.00  1.53           C
373 
+ATOM    471  CE1 TYR A  29      -9.428 -12.421   1.643  1.00  1.43           C
374 
+ATOM    472  CE2 TYR A  29      -9.756 -13.829   3.590  1.00  1.75           C
375 
+ATOM    473  CZ  TYR A  29     -10.156 -12.750   2.793  1.00  1.24           C
376 
+ATOM    474  OH  TYR A  29     -11.268 -12.011   3.140  1.00  1.57           O
377 
+ATOM    484  N   TYR A  30      -4.694 -12.103   2.017  1.00  0.32           N
378 
+ATOM    485  CA  TYR A  30      -4.275 -10.903   1.222  1.00  0.28           C
379 
+ATOM    486  C   TYR A  30      -3.419 -11.366   0.035  1.00  0.32           C
380 
+ATOM    487  O   TYR A  30      -2.281 -11.759   0.193  1.00  0.38           O
381 
+ATOM    488  CB  TYR A  30      -3.462  -9.958   2.121  1.00  0.29           C
382 
+ATOM    489  CG  TYR A  30      -3.006  -8.741   1.339  1.00  0.20           C
383 
+ATOM    490  CD1 TYR A  30      -3.750  -8.286   0.243  1.00  0.47           C
384 
+ATOM    491  CD2 TYR A  30      -1.832  -8.068   1.715  1.00  0.48           C
385 
+ATOM    492  CE1 TYR A  30      -3.319  -7.163  -0.477  1.00  0.49           C
386 
+ATOM    493  CE2 TYR A  30      -1.400  -6.943   0.995  1.00  0.49           C
387 
+ATOM    494  CZ  TYR A  30      -2.145  -6.493  -0.102  1.00  0.25           C
388 
+ATOM    495  OH  TYR A  30      -1.724  -5.388  -0.814  1.00  0.36           O
389 
+ATOM    505  N   GLY A  31      -3.974 -11.339  -1.151  1.00  0.39           N
390 
+ATOM    506  CA  GLY A  31      -3.215 -11.796  -2.357  1.00  0.51           C
391 
+ATOM    507  C   GLY A  31      -2.004 -10.892  -2.611  1.00  0.58           C
392 
+ATOM    508  O   GLY A  31      -1.214 -11.146  -3.495  1.00  1.36           O
393 
+ATOM    512  N   GLU A  32      -1.870  -9.835  -1.853  1.00  0.56           N
394 
+ATOM    513  CA  GLU A  32      -0.726  -8.877  -2.011  1.00  0.54           C
395 
+ATOM    514  C   GLU A  32      -0.533  -8.420  -3.470  1.00  0.54           C
396 
+ATOM    515  O   GLU A  32       0.377  -7.671  -3.760  1.00  0.59           O
397 
+ATOM    516  CB  GLU A  32       0.582  -9.491  -1.474  1.00  0.66           C
398 
+ATOM    517  CG  GLU A  32       0.741 -10.947  -1.915  1.00  1.51           C
399 
+ATOM    518  CD  GLU A  32       2.052 -11.506  -1.358  1.00  1.87           C
400 
+ATOM    519  OE1 GLU A  32       3.044 -10.799  -1.410  1.00  2.36           O
401 
+ATOM    520  OE2 GLU A  32       2.040 -12.632  -0.890  1.00  2.37           O
402 
+ATOM    527  N   ASN A  33      -1.373  -8.817  -4.389  1.00  0.51           N
403 
+ATOM    528  CA  ASN A  33      -1.203  -8.335  -5.792  1.00  0.53           C
404 
+ATOM    529  C   ASN A  33      -1.891  -6.977  -5.927  1.00  0.50           C
405 
+ATOM    530  O   ASN A  33      -2.423  -6.444  -4.974  1.00  0.56           O
406 
+ATOM    531  CB  ASN A  33      -1.811  -9.321  -6.806  1.00  0.54           C
407 
+ATOM    532  CG  ASN A  33      -2.420 -10.533  -6.096  1.00  0.62           C
408 
+ATOM    533  OD1 ASN A  33      -1.721 -11.465  -5.752  1.00  1.57           O
409 
+ATOM    534  ND2 ASN A  33      -3.703 -10.559  -5.864  1.00  0.82           N
410 
+ATOM    541  N   LEU A  34      -1.918  -6.429  -7.107  1.00  0.48           N
411 
+ATOM    542  CA  LEU A  34      -2.609  -5.125  -7.305  1.00  0.47           C
412 
+ATOM    543  C   LEU A  34      -4.108  -5.392  -7.331  1.00  0.40           C
413 
+ATOM    544  O   LEU A  34      -4.911  -4.621  -6.852  1.00  0.37           O
414 
+ATOM    545  CB  LEU A  34      -2.204  -4.539  -8.650  1.00  0.55           C
415 
+ATOM    546  CG  LEU A  34      -0.749  -4.072  -8.606  1.00  0.64           C
416 
+ATOM    547  CD1 LEU A  34      -0.358  -3.503  -9.971  1.00  0.82           C
417 
+ATOM    548  CD2 LEU A  34      -0.590  -2.986  -7.539  1.00  0.61           C
418 
+ATOM    560  N   ASP A  35      -4.469  -6.494  -7.911  1.00  0.39           N
419 
+ATOM    561  CA  ASP A  35      -5.897  -6.886  -8.018  1.00  0.36           C
420 
+ATOM    562  C   ASP A  35      -6.467  -7.173  -6.632  1.00  0.30           C
421 
+ATOM    563  O   ASP A  35      -7.614  -6.894  -6.351  1.00  0.28           O
422 
+ATOM    564  CB  ASP A  35      -5.975  -8.167  -8.833  1.00  0.38           C
423 
+ATOM    565  CG  ASP A  35      -5.683  -7.865 -10.303  1.00  0.43           C
424 
+ATOM    566  OD1 ASP A  35      -6.344  -7.000 -10.853  1.00  1.24           O
425 
+ATOM    567  OD2 ASP A  35      -4.803  -8.506 -10.856  1.00  1.06           O
426 
+ATOM    572  N   ALA A  36      -5.676  -7.742  -5.769  1.00  0.29           N
427 
+ATOM    573  CA  ALA A  36      -6.180  -8.058  -4.401  1.00  0.25           C
428 
+ATOM    574  C   ALA A  36      -6.124  -6.799  -3.563  1.00  0.22           C
429 
+ATOM    575  O   ALA A  36      -7.111  -6.353  -3.016  1.00  0.22           O
430 
+ATOM    576  CB  ALA A  36      -5.310  -9.125  -3.749  1.00  0.29           C
431 
+ATOM    582  N   LEU A  37      -4.967  -6.217  -3.477  1.00  0.21           N
432 
+ATOM    583  CA  LEU A  37      -4.820  -4.966  -2.697  1.00  0.19           C
433 
+ATOM    584  C   LEU A  37      -5.987  -4.058  -3.064  1.00  0.16           C
434 
+ATOM    585  O   LEU A  37      -6.706  -3.539  -2.224  1.00  0.16           O
435 
+ATOM    586  CB  LEU A  37      -3.502  -4.299  -3.095  1.00  0.21           C
436 
+ATOM    587  CG  LEU A  37      -3.539  -2.815  -2.724  1.00  0.20           C
437 
+ATOM    588  CD1 LEU A  37      -3.557  -2.667  -1.201  1.00  0.22           C
438 
+ATOM    589  CD2 LEU A  37      -2.302  -2.115  -3.290  1.00  0.24           C
439 
+ATOM    601  N   TRP A  38      -6.173  -3.884  -4.333  1.00  0.17           N
440 
+ATOM    602  CA  TRP A  38      -7.277  -3.046  -4.821  1.00  0.16           C
441 
+ATOM    603  C   TRP A  38      -8.577  -3.613  -4.303  1.00  0.16           C
442 
+ATOM    604  O   TRP A  38      -9.345  -2.951  -3.643  1.00  0.16           O
443 
+ATOM    605  CB  TRP A  38      -7.315  -3.093  -6.341  1.00  0.18           C
444 
+ATOM    606  CG  TRP A  38      -8.456  -2.267  -6.801  1.00  0.18           C
445 
+ATOM    607  CD1 TRP A  38      -9.708  -2.718  -6.963  1.00  0.21           C
446 
+ATOM    608  CD2 TRP A  38      -8.476  -0.860  -7.128  1.00  0.18           C
447 
+ATOM    609  NE1 TRP A  38     -10.508  -1.672  -7.389  1.00  0.23           N
448 
+ATOM    610  CE2 TRP A  38      -9.785  -0.502  -7.508  1.00  0.20           C
449 
+ATOM    611  CE3 TRP A  38      -7.487   0.125  -7.138  1.00  0.17           C
450 
+ATOM    612  CZ2 TRP A  38     -10.099   0.802  -7.885  1.00  0.22           C
451 
+ATOM    613  CZ3 TRP A  38      -7.785   1.430  -7.507  1.00  0.19           C
452 
+ATOM    614  CH2 TRP A  38      -9.093   1.778  -7.885  1.00  0.20           C
453 
+ATOM    625  N   ASP A  39      -8.815  -4.850  -4.599  1.00  0.17           N
454 
+ATOM    626  CA  ASP A  39     -10.061  -5.500  -4.130  1.00  0.18           C
455 
+ATOM    627  C   ASP A  39     -10.283  -5.117  -2.672  1.00  0.18           C
456 
+ATOM    628  O   ASP A  39     -11.394  -5.091  -2.182  1.00  0.21           O
457 
+ATOM    629  CB  ASP A  39      -9.927  -7.017  -4.254  1.00  0.21           C
458 
+ATOM    630  CG  ASP A  39     -10.613  -7.488  -5.537  1.00  0.29           C
459 
+ATOM    631  OD1 ASP A  39     -10.045  -7.286  -6.598  1.00  1.13           O
460 
+ATOM    632  OD2 ASP A  39     -11.695  -8.044  -5.438  1.00  1.06           O
461 
+ATOM    637  N   CYS A  40      -9.222  -4.807  -1.977  1.00  0.17           N
462 
+ATOM    638  CA  CYS A  40      -9.354  -4.412  -0.556  1.00  0.19           C
463 
+ATOM    639  C   CYS A  40      -9.797  -2.948  -0.466  1.00  0.19           C
464 
+ATOM    640  O   CYS A  40     -10.745  -2.623   0.218  1.00  0.23           O
465 
+ATOM    641  CB  CYS A  40      -8.001  -4.580   0.132  1.00  0.21           C
466 
+ATOM    642  SG  CYS A  40      -7.334  -6.221  -0.239  1.00  0.58           S
467 
+ATOM    648  N   LEU A  41      -9.117  -2.057  -1.142  1.00  0.17           N
468 
+ATOM    649  CA  LEU A  41      -9.497  -0.625  -1.076  1.00  0.18           C
469 
+ATOM    650  C   LEU A  41     -10.943  -0.424  -1.548  1.00  0.21           C
470 
+ATOM    651  O   LEU A  41     -11.729   0.247  -0.908  1.00  0.45           O
471 
+ATOM    652  CB  LEU A  41      -8.562   0.173  -1.981  1.00  0.17           C
472 
+ATOM    653  CG  LEU A  41      -7.117  -0.285  -1.776  1.00  0.19           C
473 
+ATOM    654  CD1 LEU A  41      -6.189   0.625  -2.567  1.00  0.18           C
474 
+ATOM    655  CD2 LEU A  41      -6.760  -0.219  -0.289  1.00  0.31           C
475 
+ATOM    667  N   THR A  42     -11.284  -0.971  -2.679  1.00  0.26           N
476 
+ATOM    668  CA  THR A  42     -12.650  -0.794  -3.226  1.00  0.28           C
477 
+ATOM    669  C   THR A  42     -13.665  -1.664  -2.479  1.00  0.32           C
478 
+ATOM    670  O   THR A  42     -14.826  -1.704  -2.836  1.00  0.55           O
479 
+ATOM    671  CB  THR A  42     -12.649  -1.174  -4.708  1.00  0.26           C
480 
+ATOM    672  OG1 THR A  42     -11.870  -2.347  -4.894  1.00  0.29           O
481 
+ATOM    673  CG2 THR A  42     -12.054  -0.026  -5.525  1.00  0.40           C
482 
+ATOM    681  N   GLY A  43     -13.262  -2.363  -1.452  1.00  0.27           N
483 
+ATOM    682  CA  GLY A  43     -14.258  -3.210  -0.729  1.00  0.31           C
484 
+ATOM    683  C   GLY A  43     -13.627  -3.900   0.484  1.00  0.27           C
485 
+ATOM    684  O   GLY A  43     -13.610  -5.112   0.574  1.00  0.32           O
486 
+ATOM    688  N   TRP A  44     -13.125  -3.148   1.425  1.00  0.25           N
487 
+ATOM    689  CA  TRP A  44     -12.519  -3.775   2.630  1.00  0.23           C
488 
+ATOM    690  C   TRP A  44     -11.944  -2.689   3.540  1.00  0.23           C
489 
+ATOM    691  O   TRP A  44     -12.415  -2.466   4.637  1.00  0.27           O
490 
+ATOM    692  CB  TRP A  44     -11.402  -4.721   2.201  1.00  0.24           C
491 
+ATOM    693  CG  TRP A  44     -10.808  -5.362   3.411  1.00  0.26           C
492 
+ATOM    694  CD1 TRP A  44      -9.735  -4.894   4.085  1.00  0.27           C
493 
+ATOM    695  CD2 TRP A  44     -11.233  -6.571   4.106  1.00  0.30           C
494 
+ATOM    696  NE1 TRP A  44      -9.470  -5.739   5.146  1.00  0.31           N
495 
+ATOM    697  CE2 TRP A  44     -10.366  -6.788   5.202  1.00  0.34           C
496 
+ATOM    698  CE3 TRP A  44     -12.274  -7.493   3.891  1.00  0.35           C
497 
+ATOM    699  CZ2 TRP A  44     -10.527  -7.879   6.058  1.00  0.41           C
498 
+ATOM    700  CZ3 TRP A  44     -12.439  -8.592   4.750  1.00  0.43           C
499 
+ATOM    701  CH2 TRP A  44     -11.567  -8.785   5.831  1.00  0.45           C
500 
+ATOM    712  N   VAL A  45     -10.925  -2.016   3.089  1.00  0.25           N
501 
+ATOM    713  CA  VAL A  45     -10.304  -0.949   3.912  1.00  0.26           C
502 
+ATOM    714  C   VAL A  45     -11.350   0.112   4.253  1.00  0.25           C
503 
+ATOM    715  O   VAL A  45     -12.264   0.362   3.493  1.00  0.37           O
504 
+ATOM    716  CB  VAL A  45      -9.165  -0.300   3.125  1.00  0.30           C
505 
+ATOM    717  CG1 VAL A  45      -8.436   0.706   4.017  1.00  0.42           C
506 
+ATOM    718  CG2 VAL A  45      -8.181  -1.377   2.661  1.00  0.28           C
507 
+ATOM    728  N   GLU A  46     -11.215   0.751   5.382  1.00  0.21           N
508 
+ATOM    729  CA  GLU A  46     -12.197   1.808   5.755  1.00  0.23           C
509 
+ATOM    730  C   GLU A  46     -11.566   3.177   5.505  1.00  0.22           C
510 
+ATOM    731  O   GLU A  46     -10.440   3.435   5.880  1.00  0.22           O
511 
+ATOM    732  CB  GLU A  46     -12.600   1.688   7.231  1.00  0.30           C
512 
+ATOM    733  CG  GLU A  46     -11.576   0.848   7.993  1.00  1.31           C
513 
+ATOM    734  CD  GLU A  46     -12.107   0.545   9.395  1.00  1.80           C
514 
+ATOM    735  OE1 GLU A  46     -13.089  -0.173   9.493  1.00  2.43           O
515 
+ATOM    736  OE2 GLU A  46     -11.524   1.036  10.347  1.00  2.28           O
516 
+ATOM    743  N   TYR A  47     -12.285   4.047   4.861  1.00  0.22           N
517 
+ATOM    744  CA  TYR A  47     -11.744   5.402   4.559  1.00  0.22           C
518 
+ATOM    745  C   TYR A  47     -12.564   6.446   5.329  1.00  0.26           C
519 
+ATOM    746  O   TYR A  47     -13.586   6.110   5.892  1.00  0.29           O
520 
+ATOM    747  CB  TYR A  47     -11.851   5.623   3.045  1.00  0.24           C
521 
+ATOM    748  CG  TYR A  47     -10.868   4.720   2.323  1.00  0.24           C
522 
+ATOM    749  CD1 TYR A  47      -9.830   4.081   3.021  1.00  1.25           C
523 
+ATOM    750  CD2 TYR A  47     -10.994   4.520   0.945  1.00  1.21           C
524 
+ATOM    751  CE1 TYR A  47      -8.935   3.251   2.342  1.00  1.27           C
525 
+ATOM    752  CE2 TYR A  47     -10.094   3.692   0.272  1.00  1.20           C
526 
+ATOM    753  CZ  TYR A  47      -9.067   3.058   0.970  1.00  0.29           C
527 
+ATOM    754  OH  TYR A  47      -8.181   2.239   0.301  1.00  0.34           O
528 
+ATOM    764  N   PRO A  48     -12.102   7.682   5.359  1.00  0.27           N
529 
+ATOM    765  CA  PRO A  48     -10.858   8.134   4.685  1.00  0.25           C
530 
+ATOM    766  C   PRO A  48      -9.620   7.409   5.219  1.00  0.22           C
531 
+ATOM    767  O   PRO A  48      -9.455   7.234   6.406  1.00  0.30           O
532 
+ATOM    768  CB  PRO A  48     -10.761   9.631   5.010  1.00  0.28           C
533 
+ATOM    769  CG  PRO A  48     -11.970  10.004   5.902  1.00  0.33           C
534 
+ATOM    770  CD  PRO A  48     -12.815   8.738   6.097  1.00  0.32           C
535 
+ATOM    778  N   LEU A  49      -8.744   7.000   4.338  1.00  0.20           N
536 
+ATOM    779  CA  LEU A  49      -7.502   6.298   4.775  1.00  0.19           C
537 
+ATOM    780  C   LEU A  49      -6.301   7.182   4.462  1.00  0.19           C
538 
+ATOM    781  O   LEU A  49      -6.335   7.998   3.567  1.00  0.20           O
539 
+ATOM    782  CB  LEU A  49      -7.362   4.977   3.994  1.00  0.18           C
540 
+ATOM    783  CG  LEU A  49      -5.885   4.560   3.861  1.00  0.17           C
541 
+ATOM    784  CD1 LEU A  49      -5.350   4.066   5.209  1.00  0.20           C
542 
+ATOM    785  CD2 LEU A  49      -5.759   3.447   2.816  1.00  0.16           C
543 
+ATOM    797  N   VAL A  50      -5.222   6.985   5.157  1.00  0.21           N
544 
+ATOM    798  CA  VAL A  50      -4.003   7.770   4.857  1.00  0.22           C
545 
+ATOM    799  C   VAL A  50      -2.919   6.786   4.408  1.00  0.20           C
546 
+ATOM    800  O   VAL A  50      -2.748   5.736   4.987  1.00  0.21           O
547 
+ATOM    801  CB  VAL A  50      -3.555   8.555   6.114  1.00  0.26           C
548 
+ATOM    802  CG1 VAL A  50      -2.135   8.158   6.542  1.00  0.26           C
549 
+ATOM    803  CG2 VAL A  50      -3.567  10.051   5.802  1.00  0.29           C
550 
+ATOM    813  N   LEU A  51      -2.167   7.122   3.409  1.00  0.19           N
551 
+ATOM    814  CA  LEU A  51      -1.081   6.210   2.976  1.00  0.18           C
552 
+ATOM    815  C   LEU A  51       0.228   6.969   3.109  1.00  0.18           C
553 
+ATOM    816  O   LEU A  51       0.745   7.517   2.155  1.00  0.20           O
554 
+ATOM    817  CB  LEU A  51      -1.267   5.748   1.523  1.00  0.17           C
555 
+ATOM    818  CG  LEU A  51      -0.106   4.823   1.149  1.00  0.19           C
556 
+ATOM    819  CD1 LEU A  51      -0.195   3.543   1.973  1.00  0.21           C
557 
+ATOM    820  CD2 LEU A  51      -0.185   4.451  -0.328  1.00  0.18           C
558 
+ATOM    832  N   GLU A  52       0.760   7.014   4.296  1.00  0.19           N
559 
+ATOM    833  CA  GLU A  52       2.031   7.743   4.505  1.00  0.21           C
560 
+ATOM    834  C   GLU A  52       3.158   6.861   3.988  1.00  0.19           C
561 
+ATOM    835  O   GLU A  52       3.789   6.122   4.721  1.00  0.19           O
562 
+ATOM    836  CB  GLU A  52       2.213   8.030   5.996  1.00  0.24           C
563 
+ATOM    837  CG  GLU A  52       3.642   8.508   6.256  1.00  0.30           C
564 
+ATOM    838  CD  GLU A  52       3.650   9.471   7.444  1.00  0.64           C
565 
+ATOM    839  OE1 GLU A  52       2.717   9.420   8.229  1.00  1.28           O
566 
+ATOM    840  OE2 GLU A  52       4.588  10.244   7.550  1.00  1.44           O
567 
+ATOM    847  N   TRP A  53       3.385   6.915   2.708  1.00  0.20           N
568 
+ATOM    848  CA  TRP A  53       4.436   6.072   2.099  1.00  0.20           C
569 
+ATOM    849  C   TRP A  53       5.813   6.694   2.321  1.00  0.24           C
570 
+ATOM    850  O   TRP A  53       6.142   7.720   1.760  1.00  0.38           O
571 
+ATOM    851  CB  TRP A  53       4.175   5.945   0.603  1.00  0.24           C
572 
+ATOM    852  CG  TRP A  53       4.807   4.689   0.123  1.00  0.23           C
573 
+ATOM    853  CD1 TRP A  53       6.084   4.326   0.376  1.00  0.25           C
574 
+ATOM    854  CD2 TRP A  53       4.223   3.620  -0.671  1.00  0.21           C
575 
+ATOM    855  NE1 TRP A  53       6.325   3.103  -0.214  1.00  0.26           N
576 
+ATOM    856  CE2 TRP A  53       5.210   2.627  -0.872  1.00  0.24           C
577 
+ATOM    857  CE3 TRP A  53       2.948   3.416  -1.234  1.00  0.21           C
578 
+ATOM    858  CZ2 TRP A  53       4.946   1.474  -1.601  1.00  0.25           C
579 
+ATOM    859  CZ3 TRP A  53       2.684   2.251  -1.974  1.00  0.23           C
580 
+ATOM    860  CH2 TRP A  53       3.682   1.284  -2.156  1.00  0.25           C
581 
+ATOM    871  N   ARG A  54       6.627   6.069   3.124  1.00  0.26           N
582 
+ATOM    872  CA  ARG A  54       7.992   6.607   3.371  1.00  0.35           C
583 
+ATOM    873  C   ARG A  54       8.988   5.823   2.515  1.00  0.49           C
584 
+ATOM    874  O   ARG A  54       8.781   4.663   2.219  1.00  1.33           O
585 
+ATOM    875  CB  ARG A  54       8.346   6.446   4.849  1.00  0.44           C
586 
+ATOM    876  CG  ARG A  54       8.545   7.825   5.481  1.00  0.88           C
587 
+ATOM    877  CD  ARG A  54       8.772   7.667   6.985  1.00  1.09           C
588 
+ATOM    878  NE  ARG A  54      10.009   8.396   7.382  1.00  1.40           N
589 
+ATOM    879  CZ  ARG A  54      10.254   8.632   8.637  1.00  1.87           C
590 
+ATOM    880  NH1 ARG A  54      10.719   7.683   9.399  1.00  2.47           N
591 
+ATOM    881  NH2 ARG A  54      10.035   9.816   9.133  1.00  2.46           N
592 
+ATOM    895  N   GLN A  55      10.062   6.439   2.107  1.00  0.53           N
593 
+ATOM    896  CA  GLN A  55      11.050   5.709   1.264  1.00  0.46           C
594 
+ATOM    897  C   GLN A  55      10.308   5.032   0.111  1.00  0.53           C
595 
+ATOM    898  O   GLN A  55      10.193   3.826   0.056  1.00  1.30           O
596 
+ATOM    899  CB  GLN A  55      11.759   4.650   2.111  1.00  0.55           C
597 
+ATOM    900  CG  GLN A  55      13.251   4.974   2.186  1.00  1.05           C
598 
+ATOM    901  CD  GLN A  55      13.542   5.750   3.472  1.00  1.22           C
599 
+ATOM    902  OE1 GLN A  55      12.710   5.822   4.354  1.00  1.82           O
600 
+ATOM    903  NE2 GLN A  55      14.698   6.338   3.616  1.00  1.89           N
601 
+ATOM    912  N   PHE A  56       9.791   5.807  -0.801  1.00  0.64           N
602 
+ATOM    913  CA  PHE A  56       9.035   5.228  -1.949  1.00  0.57           C
603 
+ATOM    914  C   PHE A  56      10.002   4.576  -2.944  1.00  0.71           C
604 
+ATOM    915  O   PHE A  56      10.000   3.374  -3.124  1.00  1.62           O
605 
+ATOM    916  CB  PHE A  56       8.267   6.356  -2.637  1.00  0.62           C
606 
+ATOM    917  CG  PHE A  56       7.213   5.805  -3.572  1.00  0.57           C
607 
+ATOM    918  CD1 PHE A  56       6.938   4.430  -3.629  1.00  1.37           C
608 
+ATOM    919  CD2 PHE A  56       6.504   6.690  -4.386  1.00  1.31           C
609 
+ATOM    920  CE1 PHE A  56       5.953   3.951  -4.507  1.00  1.40           C
610 
+ATOM    921  CE2 PHE A  56       5.522   6.212  -5.260  1.00  1.40           C
611 
+ATOM    922  CZ  PHE A  56       5.249   4.842  -5.323  1.00  0.79           C
612 
+ATOM    932  N   GLU A  57      10.824   5.355  -3.595  1.00  0.67           N
613 
+ATOM    933  CA  GLU A  57      11.784   4.768  -4.576  1.00  0.65           C
614 
+ATOM    934  C   GLU A  57      12.637   3.708  -3.882  1.00  0.58           C
615 
+ATOM    935  O   GLU A  57      13.002   2.709  -4.467  1.00  0.58           O
616 
+ATOM    936  CB  GLU A  57      12.703   5.861  -5.118  1.00  0.80           C
617 
+ATOM    937  CG  GLU A  57      11.991   6.634  -6.229  1.00  1.16           C
618 
+ATOM    938  CD  GLU A  57      12.794   7.891  -6.571  1.00  1.75           C
619 
+ATOM    939  OE1 GLU A  57      13.812   8.110  -5.935  1.00  2.34           O
620 
+ATOM    940  OE2 GLU A  57      12.378   8.612  -7.462  1.00  2.41           O
621 
+ATOM    947  N   GLN A  58      12.961   3.924  -2.638  1.00  0.58           N
622 
+ATOM    948  CA  GLN A  58      13.786   2.942  -1.899  1.00  0.60           C
623 
+ATOM    949  C   GLN A  58      12.982   1.655  -1.731  1.00  0.53           C
624 
+ATOM    950  O   GLN A  58      13.524   0.569  -1.730  1.00  0.56           O
625 
+ATOM    951  CB  GLN A  58      14.158   3.516  -0.530  1.00  0.69           C
626 
+ATOM    952  CG  GLN A  58      15.064   4.735  -0.723  1.00  0.94           C
627 
+ATOM    953  CD  GLN A  58      16.526   4.322  -0.542  1.00  1.56           C
628 
+ATOM    954  OE1 GLN A  58      16.810   3.268  -0.008  1.00  2.34           O
629 
+ATOM    955  NE2 GLN A  58      17.472   5.114  -0.966  1.00  1.94           N
630 
+ATOM    964  N   SER A  59      11.685   1.773  -1.611  1.00  0.52           N
631 
+ATOM    965  CA  SER A  59      10.829   0.560  -1.473  1.00  0.52           C
632 
+ATOM    966  C   SER A  59      10.318   0.172  -2.859  1.00  0.44           C
633 
+ATOM    967  O   SER A  59       9.371  -0.576  -3.002  1.00  0.48           O
634 
+ATOM    968  CB  SER A  59       9.639   0.859  -0.562  1.00  0.65           C
635 
+ATOM    969  OG  SER A  59       9.861   0.266   0.709  1.00  1.39           O
636 
+ATOM    975  N   LYS A  60      10.954   0.675  -3.881  1.00  0.41           N
637 
+ATOM    976  CA  LYS A  60      10.532   0.342  -5.266  1.00  0.42           C
638 
+ATOM    977  C   LYS A  60      11.614  -0.520  -5.922  1.00  0.44           C
639 
+ATOM    978  O   LYS A  60      11.326  -1.436  -6.666  1.00  0.55           O
640 
+ATOM    979  CB  LYS A  60      10.356   1.636  -6.062  1.00  0.51           C
641 
+ATOM    980  CG  LYS A  60       9.518   1.361  -7.311  1.00  1.03           C
642 
+ATOM    981  CD  LYS A  60       9.317   2.665  -8.084  1.00  1.61           C
643 
+ATOM    982  CE  LYS A  60       9.529   2.412  -9.575  1.00  2.36           C
644 
+ATOM    983  NZ  LYS A  60      10.507   3.397 -10.112  1.00  3.11           N
645 
+ATOM    997  N   GLN A  61      12.860  -0.228  -5.655  1.00  0.51           N
646 
+ATOM    998  CA  GLN A  61      13.963  -1.020  -6.264  1.00  0.62           C
647 
+ATOM    999  C   GLN A  61      14.010  -2.425  -5.651  1.00  0.60           C
648 
+ATOM   1000  O   GLN A  61      13.841  -3.416  -6.332  1.00  0.66           O
649 
+ATOM   1001  CB  GLN A  61      15.297  -0.315  -6.006  1.00  0.73           C
650 
+ATOM   1002  CG  GLN A  61      15.326   1.021  -6.751  1.00  1.14           C
651 
+ATOM   1003  CD  GLN A  61      16.704   1.221  -7.385  1.00  1.66           C
652 
+ATOM   1004  OE1 GLN A  61      17.499   0.303  -7.440  1.00  2.16           O
653 
+ATOM   1005  NE2 GLN A  61      17.024   2.390  -7.868  1.00  2.39           N
654 
+ATOM   1014  N   LEU A  62      14.264  -2.497  -4.372  1.00  0.64           N
655 
+ATOM   1015  CA  LEU A  62      14.358  -3.820  -3.661  1.00  0.71           C
656 
+ATOM   1016  C   LEU A  62      13.391  -4.833  -4.276  1.00  0.67           C
657 
+ATOM   1017  O   LEU A  62      13.653  -6.019  -4.302  1.00  0.94           O
658 
+ATOM   1018  CB  LEU A  62      13.995  -3.678  -2.170  1.00  0.78           C
659 
+ATOM   1019  CG  LEU A  62      13.609  -2.241  -1.817  1.00  0.78           C
660 
+ATOM   1020  CD1 LEU A  62      12.330  -1.844  -2.561  1.00  0.66           C
661 
+ATOM   1021  CD2 LEU A  62      13.367  -2.146  -0.310  1.00  0.94           C
662 
+ATOM   1033  N   THR A  63      12.276  -4.379  -4.770  1.00  0.58           N
663 
+ATOM   1034  CA  THR A  63      11.298  -5.309  -5.376  1.00  0.70           C
664 
+ATOM   1035  C   THR A  63      10.933  -4.785  -6.761  1.00  0.81           C
665 
+ATOM   1036  O   THR A  63       9.802  -4.445  -7.030  1.00  0.89           O
666 
+ATOM   1037  CB  THR A  63      10.042  -5.450  -4.482  1.00  0.65           C
667 
+ATOM   1038  OG1 THR A  63       8.893  -5.599  -5.300  1.00  0.72           O
668 
+ATOM   1039  CG2 THR A  63       9.848  -4.231  -3.559  1.00  0.52           C
669 
+ATOM   1047  N   GLU A  64      11.921  -4.721  -7.629  1.00  0.95           N
670 
+ATOM   1048  CA  GLU A  64      11.731  -4.227  -9.035  1.00  1.21           C
671 
+ATOM   1049  C   GLU A  64      10.247  -4.117  -9.389  1.00  1.18           C
672 
+ATOM   1050  O   GLU A  64       9.570  -5.108  -9.578  1.00  1.53           O
673 
+ATOM   1051  CB  GLU A  64      12.403  -5.214  -9.993  1.00  1.55           C
674 
+ATOM   1052  CG  GLU A  64      12.903  -4.472 -11.231  1.00  1.91           C
675 
+ATOM   1053  CD  GLU A  64      14.052  -5.257 -11.865  1.00  2.44           C
676 
+ATOM   1054  OE1 GLU A  64      14.291  -6.373 -11.432  1.00  3.09           O
677 
+ATOM   1055  OE2 GLU A  64      14.675  -4.730 -12.771  1.00  2.79           O
678 
+ATOM   1062  N   ASN A  65       9.732  -2.920  -9.470  1.00  1.70           N
679 
+ATOM   1063  CA  ASN A  65       8.289  -2.761  -9.802  1.00  1.68           C
680 
+ATOM   1064  C   ASN A  65       7.456  -3.157  -8.582  1.00  0.85           C
681 
+ATOM   1065  O   ASN A  65       6.375  -3.697  -8.706  1.00  1.09           O
682 
+ATOM   1066  CB  ASN A  65       7.944  -3.685 -10.974  1.00  2.27           C
683 
+ATOM   1067  CG  ASN A  65       6.828  -3.063 -11.814  1.00  2.89           C
684 
+ATOM   1068  OD1 ASN A  65       6.854  -1.884 -12.103  1.00  3.24           O
685 
+ATOM   1069  ND2 ASN A  65       5.844  -3.815 -12.224  1.00  3.66           N
686 
+ATOM   1076  N   GLY A  66       7.968  -2.928  -7.401  1.00  0.56           N
687 
+ATOM   1077  CA  GLY A  66       7.225  -3.330  -6.177  1.00  1.20           C
688 
+ATOM   1078  C   GLY A  66       6.279  -2.227  -5.680  1.00  0.91           C
689 
+ATOM   1079  O   GLY A  66       5.073  -2.381  -5.677  1.00  1.26           O
690 
+ATOM   1083  N   ALA A  67       6.826  -1.155  -5.185  1.00  0.39           N
691 
+ATOM   1084  CA  ALA A  67       5.996  -0.071  -4.590  1.00  0.46           C
692 
+ATOM   1085  C   ALA A  67       5.313   0.846  -5.615  1.00  0.34           C
693 
+ATOM   1086  O   ALA A  67       4.352   1.513  -5.286  1.00  0.53           O
694 
+ATOM   1087  CB  ALA A  67       6.909   0.777  -3.713  1.00  0.64           C
695 
+ATOM   1093  N   GLU A  68       5.778   0.935  -6.823  1.00  0.27           N
696 
+ATOM   1094  CA  GLU A  68       5.129   1.851  -7.769  1.00  0.38           C
697 
+ATOM   1095  C   GLU A  68       3.751   1.292  -8.176  1.00  0.39           C
698 
+ATOM   1096  O   GLU A  68       2.884   2.021  -8.617  1.00  0.49           O
699 
+ATOM   1097  CB  GLU A  68       6.069   2.020  -8.971  1.00  0.51           C
700 
+ATOM   1098  CG  GLU A  68       5.274   2.020 -10.258  1.00  1.38           C
701 
+ATOM   1099  CD  GLU A  68       6.148   2.521 -11.410  1.00  1.57           C
702 
+ATOM   1100  OE1 GLU A  68       6.989   3.370 -11.165  1.00  1.83           O
703 
+ATOM   1101  OE2 GLU A  68       5.961   2.047 -12.518  1.00  2.27           O
704 
+ATOM   1108  N   SER A  69       3.544   0.011  -8.034  1.00  0.39           N
705 
+ATOM   1109  CA  SER A  69       2.227  -0.585  -8.417  1.00  0.47           C
706 
+ATOM   1110  C   SER A  69       1.196  -0.382  -7.297  1.00  0.37           C
707 
+ATOM   1111  O   SER A  69       0.120   0.157  -7.510  1.00  0.35           O
708 
+ATOM   1112  CB  SER A  69       2.405  -2.082  -8.669  1.00  0.58           C
709 
+ATOM   1113  OG  SER A  69       2.127  -2.366 -10.033  1.00  0.90           O
710 
+ATOM   1119  N   VAL A  70       1.509  -0.818  -6.106  1.00  0.34           N
711 
+ATOM   1120  CA  VAL A  70       0.544  -0.662  -4.984  1.00  0.27           C
712 
+ATOM   1121  C   VAL A  70       0.107   0.793  -4.912  1.00  0.20           C
713 
+ATOM   1122  O   VAL A  70      -1.057   1.098  -4.748  1.00  0.20           O
714 
+ATOM   1123  CB  VAL A  70       1.215  -1.063  -3.671  1.00  0.31           C
715 
+ATOM   1124  CG1 VAL A  70       0.288  -0.737  -2.499  1.00  0.29           C
716 
+ATOM   1125  CG2 VAL A  70       1.504  -2.565  -3.687  1.00  0.41           C
717 
+ATOM   1135  N   LEU A  71       1.033   1.696  -5.048  1.00  0.24           N
718 
+ATOM   1136  CA  LEU A  71       0.663   3.134  -5.002  1.00  0.23           C
719 
+ATOM   1137  C   LEU A  71      -0.340   3.411  -6.113  1.00  0.23           C
720 
+ATOM   1138  O   LEU A  71      -1.335   4.061  -5.909  1.00  0.23           O
721 
+ATOM   1139  CB  LEU A  71       1.897   3.996  -5.229  1.00  0.30           C
722 
+ATOM   1140  CG  LEU A  71       1.476   5.464  -5.305  1.00  0.35           C
723 
+ATOM   1141  CD1 LEU A  71       1.177   5.986  -3.899  1.00  0.36           C
724 
+ATOM   1142  CD2 LEU A  71       2.605   6.290  -5.924  1.00  0.43           C
725 
+ATOM   1154  N   GLN A  72      -0.083   2.914  -7.289  1.00  0.28           N
726 
+ATOM   1155  CA  GLN A  72      -1.027   3.138  -8.419  1.00  0.30           C
727 
+ATOM   1156  C   GLN A  72      -2.417   2.716  -7.977  1.00  0.25           C
728 
+ATOM   1157  O   GLN A  72      -3.408   3.314  -8.334  1.00  0.25           O
729 
+ATOM   1158  CB  GLN A  72      -0.583   2.279  -9.617  1.00  0.35           C
730 
+ATOM   1159  CG  GLN A  72      -1.789   1.868 -10.473  1.00  1.18           C
731 
+ATOM   1160  CD  GLN A  72      -1.304   1.317 -11.813  1.00  1.42           C
732 
+ATOM   1161  OE1 GLN A  72      -1.069   2.064 -12.742  1.00  1.78           O
733 
+ATOM   1162  NE2 GLN A  72      -1.144   0.029 -11.955  1.00  1.97           N
734 
+ATOM   1171  N   VAL A  73      -2.487   1.666  -7.230  1.00  0.23           N
735 
+ATOM   1172  CA  VAL A  73      -3.797   1.162  -6.774  1.00  0.20           C
736 
+ATOM   1173  C   VAL A  73      -4.352   2.055  -5.661  1.00  0.16           C
737 
+ATOM   1174  O   VAL A  73      -5.547   2.201  -5.514  1.00  0.16           O
738 
+ATOM   1175  CB  VAL A  73      -3.590  -0.254  -6.268  1.00  0.21           C
739 
+ATOM   1176  CG1 VAL A  73      -4.840  -0.752  -5.547  1.00  0.20           C
740 
+ATOM   1177  CG2 VAL A  73      -3.258  -1.151  -7.468  1.00  0.26           C
741 
+ATOM   1187  N   PHE A  74      -3.501   2.649  -4.873  1.00  0.15           N
742 
+ATOM   1188  CA  PHE A  74      -4.001   3.529  -3.773  1.00  0.14           C
743 
+ATOM   1189  C   PHE A  74      -4.501   4.858  -4.358  1.00  0.16           C
744 
+ATOM   1190  O   PHE A  74      -5.460   5.440  -3.887  1.00  0.18           O
745 
+ATOM   1191  CB  PHE A  74      -2.868   3.807  -2.778  1.00  0.14           C
746 
+ATOM   1192  CG  PHE A  74      -2.926   2.806  -1.651  1.00  0.12           C
747 
+ATOM   1193  CD1 PHE A  74      -3.895   2.932  -0.650  1.00  0.16           C
748 
+ATOM   1194  CD2 PHE A  74      -2.007   1.751  -1.608  1.00  0.16           C
749 
+ATOM   1195  CE1 PHE A  74      -3.946   2.003   0.395  1.00  0.18           C
750 
+ATOM   1196  CE2 PHE A  74      -2.058   0.822  -0.563  1.00  0.19           C
751 
+ATOM   1197  CZ  PHE A  74      -3.027   0.949   0.439  1.00  0.19           C
752 
+ATOM   1207  N   ARG A  75      -3.859   5.334  -5.388  1.00  0.19           N
753 
+ATOM   1208  CA  ARG A  75      -4.271   6.610  -6.018  1.00  0.23           C
754 
+ATOM   1209  C   ARG A  75      -5.453   6.341  -6.929  1.00  0.24           C
755 
+ATOM   1210  O   ARG A  75      -6.368   7.124  -7.030  1.00  0.33           O
756 
+ATOM   1211  CB  ARG A  75      -3.119   7.150  -6.851  1.00  0.26           C
757 
+ATOM   1212  CG  ARG A  75      -1.995   7.625  -5.930  1.00  0.54           C
758 
+ATOM   1213  CD  ARG A  75      -1.790   9.130  -6.107  1.00  1.28           C
759 
+ATOM   1214  NE  ARG A  75      -1.186   9.394  -7.445  1.00  1.38           N
760 
+ATOM   1215  CZ  ARG A  75      -1.177  10.604  -7.930  1.00  1.76           C
761 
+ATOM   1216  NH1 ARG A  75      -1.310  11.627  -7.134  1.00  2.43           N
762 
+ATOM   1217  NH2 ARG A  75      -1.032  10.790  -9.212  1.00  2.43           N
763 
+ATOM   1231  N   GLU A  76      -5.429   5.219  -7.581  1.00  0.22           N
764 
+ATOM   1232  CA  GLU A  76      -6.544   4.838  -8.482  1.00  0.23           C
765 
+ATOM   1233  C   GLU A  76      -7.787   4.692  -7.616  1.00  0.21           C
766 
+ATOM   1234  O   GLU A  76      -8.839   5.219  -7.917  1.00  0.23           O
767 
+ATOM   1235  CB  GLU A  76      -6.206   3.501  -9.129  1.00  0.24           C
768 
+ATOM   1236  CG  GLU A  76      -5.555   3.723 -10.494  1.00  0.30           C
769 
+ATOM   1237  CD  GLU A  76      -6.631   4.058 -11.527  1.00  0.89           C
770 
+ATOM   1238  OE1 GLU A  76      -7.781   3.734 -11.282  1.00  1.65           O
771 
+ATOM   1239  OE2 GLU A  76      -6.286   4.632 -12.547  1.00  1.48           O
772 
+ATOM   1246  N   ALA A  77      -7.653   4.005  -6.512  1.00  0.18           N
773 
+ATOM   1247  CA  ALA A  77      -8.796   3.857  -5.591  1.00  0.17           C
774 
+ATOM   1248  C   ALA A  77      -9.143   5.259  -5.113  1.00  0.19           C
775 
+ATOM   1249  O   ALA A  77     -10.294   5.632  -5.003  1.00  0.20           O
776 
+ATOM   1250  CB  ALA A  77      -8.403   2.975  -4.403  1.00  0.17           C
777 
+ATOM   1256  N   LYS A  78      -8.133   6.059  -4.876  1.00  0.21           N
778 
+ATOM   1257  CA  LYS A  78      -8.377   7.464  -4.462  1.00  0.24           C
779 
+ATOM   1258  C   LYS A  78      -9.200   8.121  -5.560  1.00  0.28           C
780 
+ATOM   1259  O   LYS A  78      -9.990   9.016  -5.336  1.00  0.32           O
781 
+ATOM   1260  CB  LYS A  78      -7.038   8.187  -4.372  1.00  0.26           C
782 
+ATOM   1261  CG  LYS A  78      -7.077   9.218  -3.247  1.00  0.32           C
783 
+ATOM   1262  CD  LYS A  78      -7.173  10.619  -3.855  1.00  0.70           C
784 
+ATOM   1263  CE  LYS A  78      -7.216  11.663  -2.738  1.00  0.99           C
785 
+ATOM   1264  NZ  LYS A  78      -6.353  12.821  -3.109  1.00  1.50           N
786 
+ATOM   1278  N   ALA A  79      -8.984   7.664  -6.756  1.00  0.28           N
787 
+ATOM   1279  CA  ALA A  79      -9.690   8.204  -7.933  1.00  0.33           C
788 
+ATOM   1280  C   ALA A  79     -11.110   7.645  -7.972  1.00  0.32           C
789 
+ATOM   1281  O   ALA A  79     -12.027   8.262  -8.477  1.00  0.38           O
790 
+ATOM   1282  CB  ALA A  79      -8.920   7.757  -9.173  1.00  0.35           C
791 
+ATOM   1288  N   GLU A  80     -11.285   6.472  -7.440  1.00  0.28           N
792 
+ATOM   1289  CA  GLU A  80     -12.620   5.829  -7.425  1.00  0.29           C
793 
+ATOM   1290  C   GLU A  80     -13.585   6.626  -6.544  1.00  0.37           C
794 
+ATOM   1291  O   GLU A  80     -14.762   6.332  -6.476  1.00  0.68           O
795 
+ATOM   1292  CB  GLU A  80     -12.466   4.417  -6.865  1.00  0.32           C
796 
+ATOM   1293  CG  GLU A  80     -12.076   3.469  -7.995  1.00  0.45           C
797 
+ATOM   1294  CD  GLU A  80     -13.336   2.876  -8.627  1.00  0.67           C
798 
+ATOM   1295  OE1 GLU A  80     -13.927   3.543  -9.460  1.00  1.40           O
799 
+ATOM   1296  OE2 GLU A  80     -13.688   1.764  -8.269  1.00  1.30           O
800 
+ATOM   1303  N   GLY A  81     -13.098   7.621  -5.858  1.00  0.39           N
801 
+ATOM   1304  CA  GLY A  81     -13.987   8.421  -4.973  1.00  0.45           C
802 
+ATOM   1305  C   GLY A  81     -13.572   8.186  -3.522  1.00  0.39           C
803 
+ATOM   1306  O   GLY A  81     -13.963   8.908  -2.626  1.00  0.45           O
804 
+ATOM   1310  N   CYS A  82     -12.776   7.179  -3.288  1.00  0.41           N
805 
+ATOM   1311  CA  CYS A  82     -12.322   6.888  -1.905  1.00  0.38           C
806 
+ATOM   1312  C   CYS A  82     -11.476   8.057  -1.395  1.00  0.38           C
807 
+ATOM   1313  O   CYS A  82     -10.977   8.854  -2.164  1.00  0.49           O
808 
+ATOM   1314  CB  CYS A  82     -11.480   5.614  -1.920  1.00  0.39           C
809 
+ATOM   1315  SG  CYS A  82     -12.566   4.168  -1.820  1.00  0.63           S
810 
+ATOM   1321  N   ASP A  83     -11.316   8.173  -0.105  1.00  0.32           N
811 
+ATOM   1322  CA  ASP A  83     -10.510   9.298   0.444  1.00  0.37           C
812 
+ATOM   1323  C   ASP A  83      -9.188   8.769   1.009  1.00  0.36           C
813 
+ATOM   1324  O   ASP A  83      -8.935   8.844   2.195  1.00  0.57           O
814 
+ATOM   1325  CB  ASP A  83     -11.305   9.984   1.553  1.00  0.42           C
815 
+ATOM   1326  CG  ASP A  83     -10.709  11.364   1.834  1.00  0.53           C
816 
+ATOM   1327  OD1 ASP A  83      -9.782  11.437   2.624  1.00  1.11           O
817 
+ATOM   1328  OD2 ASP A  83     -11.191  12.324   1.255  1.00  1.30           O
818 
+ATOM   1333  N   ILE A  84      -8.339   8.244   0.168  1.00  0.33           N
819 
+ATOM   1334  CA  ILE A  84      -7.028   7.720   0.652  1.00  0.31           C
820 
+ATOM   1335  C   ILE A  84      -5.965   8.818   0.503  1.00  0.34           C
821 
+ATOM   1336  O   ILE A  84      -5.289   8.905  -0.503  1.00  0.67           O
822 
+ATOM   1337  CB  ILE A  84      -6.622   6.513  -0.191  1.00  0.30           C
823 
+ATOM   1338  CG1 ILE A  84      -7.546   5.345   0.117  1.00  0.50           C
824 
+ATOM   1339  CG2 ILE A  84      -5.182   6.114   0.131  1.00  0.28           C
825 
+ATOM   1340  CD1 ILE A  84      -8.049   4.762  -1.198  1.00  0.34           C
826 
+ATOM   1352  N   THR A  85      -5.813   9.657   1.490  1.00  0.49           N
827 
+ATOM   1353  CA  THR A  85      -4.796  10.748   1.400  1.00  0.50           C
828 
+ATOM   1354  C   THR A  85      -3.430  10.156   1.047  1.00  0.47           C
829 
+ATOM   1355  O   THR A  85      -2.721   9.661   1.897  1.00  0.60           O
830 
+ATOM   1356  CB  THR A  85      -4.702  11.468   2.749  1.00  0.61           C
831 
+ATOM   1357  OG1 THR A  85      -5.862  12.265   2.940  1.00  0.76           O
832 
+ATOM   1358  CG2 THR A  85      -3.458  12.361   2.773  1.00  0.55           C
833 
+ATOM   1366  N   ILE A  86      -3.051  10.211  -0.200  1.00  0.41           N
834 
+ATOM   1367  CA  ILE A  86      -1.727   9.654  -0.602  1.00  0.40           C
835 
+ATOM   1368  C   ILE A  86      -0.610  10.583  -0.118  1.00  0.44           C
836 
+ATOM   1369  O   ILE A  86      -0.489  11.706  -0.564  1.00  0.59           O
837 
+ATOM   1370  CB  ILE A  86      -1.665   9.540  -2.126  1.00  0.38           C
838 
+ATOM   1371  CG1 ILE A  86      -2.821   8.668  -2.620  1.00  0.74           C
839 
+ATOM   1372  CG2 ILE A  86      -0.331   8.915  -2.540  1.00  0.93           C
840 
+ATOM   1373  CD1 ILE A  86      -2.613   7.223  -2.166  1.00  0.32           C
841 
+ATOM   1385  N   ILE A  87       0.212  10.123   0.786  1.00  0.39           N
842 
+ATOM   1386  CA  ILE A  87       1.322  10.982   1.287  1.00  0.44           C
843 
+ATOM   1387  C   ILE A  87       2.659  10.368   0.860  1.00  0.44           C
844 
+ATOM   1388  O   ILE A  87       3.132   9.413   1.442  1.00  0.55           O
845 
+ATOM   1389  CB  ILE A  87       1.247  11.073   2.813  1.00  0.46           C
846 
+ATOM   1390  CG1 ILE A  87       0.091  11.995   3.208  1.00  0.57           C
847 
+ATOM   1391  CG2 ILE A  87       2.556  11.640   3.362  1.00  0.55           C
848 
+ATOM   1392  CD1 ILE A  87      -0.237  11.800   4.689  1.00  0.61           C
849 
+ATOM   1404  N   LEU A  88       3.259  10.902  -0.170  1.00  0.50           N
850 
+ATOM   1405  CA  LEU A  88       4.552  10.348  -0.662  1.00  0.52           C
851 
+ATOM   1406  C   LEU A  88       5.728  11.146  -0.093  1.00  0.56           C
852 
+ATOM   1407  O   LEU A  88       5.984  12.263  -0.495  1.00  0.80           O
853 
+ATOM   1408  CB  LEU A  88       4.558  10.413  -2.173  1.00  0.59           C
854 
+ATOM   1409  CG  LEU A  88       3.653   9.297  -2.669  1.00  0.82           C
855 
+ATOM   1410  CD1 LEU A  88       2.691   9.851  -3.697  1.00  0.94           C
856 
+ATOM   1411  CD2 LEU A  88       4.496   8.193  -3.286  1.00  1.57           C
857 
+ATOM   1423  N   SER A  89       6.445  10.581   0.841  1.00  0.55           N
858 
+ATOM   1424  CA  SER A  89       7.604  11.308   1.435  1.00  0.62           C
859 
+ATOM   1425  C   SER A  89       8.908  10.659   0.968  1.00  0.85           C
860 
+ATOM   1426  O   SER A  89       8.935   9.445   0.852  1.00  1.41           O
861 
+ATOM   1427  CB  SER A  89       7.520  11.241   2.961  1.00  0.87           C
862 
+ATOM   1428  OG  SER A  89       7.246  12.538   3.473  1.00  1.64           O
863 
+ATOM   1429  OXT SER A  89       9.859  11.388   0.735  1.00  1.52           O
864 
+TER    1435      SER A  89
865 
+MASTER       97    1    0    4    3    0    0    6 1434    1    0    7
866 
+END

+ 738 - 0
data/old.pdb View File

1 
+ATOM      1  N   LYS A   1      -8.655   5.770   8.371  1.00  1.40           N
2 
+ATOM      2  CA  LYS A   1      -7.542   5.187   9.163  1.00  0.52           C
3 
+ATOM      3  C   LYS A   1      -6.210   5.619   8.561  1.00  0.39           C
4 
+ATOM      4  O   LYS A   1      -6.156   6.468   7.693  1.00  0.33           O
5 
+ATOM      5  CB  LYS A   1      -7.641   3.666   9.159  1.00  1.53           C
6 
+ATOM      6  CG  LYS A   1      -7.750   3.179  10.602  1.00  2.38           C
7 
+ATOM      7  CD  LYS A   1      -9.158   3.466  11.126  1.00  3.11           C
8 
+ATOM      8  CE  LYS A   1      -9.145   4.744  11.965  1.00  3.58           C
9 
+ATOM      9  NZ  LYS A   1      -9.497   4.416  13.375  1.00  4.21           N1+
10 
+ATOM     10  H01 LYS A   1      -8.337   6.612   7.912  1.00  1.40           H
11 
+ATOM     11  H02 LYS A   1      -8.961   5.103   7.677  1.00  1.40           H
12 
+ATOM     12  N   LYS A   2      -5.128   5.066   9.028  1.00  0.51           N
13 
+ATOM     13  CA  LYS A   2      -3.813   5.485   8.490  1.00  0.44           C
14 
+ATOM     14  C   LYS A   2      -2.931   4.277   8.172  1.00  0.41           C
15 
+ATOM     15  O   LYS A   2      -3.040   3.218   8.757  1.00  0.58           O
16 
+ATOM     16  CB  LYS A   2      -3.138   6.383   9.534  1.00  0.63           C
17 
+ATOM     17  CG  LYS A   2      -1.624   6.134   9.604  1.00  1.04           C
18 
+ATOM     18  CD  LYS A   2      -0.967   7.224  10.453  1.00  0.93           C
19 
+ATOM     19  CE  LYS A   2       0.116   7.929   9.634  1.00  0.63           C
20 
+ATOM     20  NZ  LYS A   2       1.057   8.630  10.551  1.00  1.43           N1+
21 
+ATOM     21  H03 LYS A   2      -5.184   4.360   9.748  1.00  0.51           H
22 
+ATOM     22  N   ALA A   3      -2.040   4.474   7.250  1.00  0.27           N
23 
+ATOM     23  CA  ALA A   3      -1.086   3.403   6.848  1.00  0.30           C
24 
+ATOM     24  C   ALA A   3       0.316   4.013   6.751  1.00  0.30           C
25 
+ATOM     25  O   ALA A   3       0.469   5.207   6.586  1.00  0.54           O
26 
+ATOM     26  CB  ALA A   3      -1.491   2.834   5.486  1.00  0.34           C
27 
+ATOM     27  H01 ALA A   3      -1.992   5.374   6.794  1.00  0.27           H
28 
+ATOM     28  N   VAL A   4       1.342   3.214   6.860  1.00  0.30           N
29 
+ATOM     29  CA  VAL A   4       2.725   3.769   6.780  1.00  0.27           C
30 
+ATOM     30  C   VAL A   4       3.643   2.773   6.074  1.00  0.26           C
31 
+ATOM     31  O   VAL A   4       3.842   1.667   6.535  1.00  0.33           O
32 
+ATOM     32  CB  VAL A   4       3.250   4.021   8.194  1.00  0.30           C
33 
+ATOM     33  CG1 VAL A   4       4.617   4.709   8.122  1.00  0.35           C
34 
+ATOM     34  CG2 VAL A   4       2.262   4.915   8.946  1.00  0.35           C
35 
+ATOM     35  H01 VAL A   4       1.201   2.224   6.998  1.00  0.30           H
36 
+ATOM     36  N   ILE A   5       4.210   3.153   4.961  1.00  0.23           N
37 
+ATOM     37  CA  ILE A   5       5.117   2.213   4.245  1.00  0.23           C
38 
+ATOM     38  C   ILE A   5       6.570   2.567   4.552  1.00  0.25           C
39 
+ATOM     39  O   ILE A   5       7.176   3.388   3.893  1.00  0.27           O
40 
+ATOM     40  CB  ILE A   5       4.879   2.300   2.742  1.00  0.23           C
41 
+ATOM     41  CG1 ILE A   5       3.360   2.231   2.478  1.00  0.23           C
42 
+ATOM     42  CG2 ILE A   5       5.620   1.142   2.061  1.00  0.24           C
43 
+ATOM     43  CD1 ILE A   5       3.034   1.246   1.346  1.00  0.22           C
44 
+ATOM     44  H01 ILE A   5       4.035   4.076   4.589  1.00  0.23           H
45 
+ATOM     45  N   ASN A   6       7.134   1.947   5.547  1.00  0.27           N
46 
+ATOM     46  CA  ASN A   6       8.545   2.232   5.905  1.00  0.31           C
47 
+ATOM     47  C   ASN A   6       9.466   1.399   5.009  1.00  0.31           C
48 
+ATOM     48  O   ASN A   6       9.611   0.207   5.189  1.00  0.35           O
49 
+ATOM     49  CB  ASN A   6       8.759   1.859   7.370  1.00  0.37           C
50 
+ATOM     50  CG  ASN A   6       8.067   2.890   8.264  1.00  0.65           C
51 
+ATOM     51  ND2 ASN A   6       8.054   2.711   9.557  1.00  1.13           N
52 
+ATOM     52  OD1 ASN A   6       7.534   3.869   7.782  1.00  1.48           O
53 
+ATOM     53  H01 ASN A   6       6.608   1.268   6.079  1.00  0.27           H
54 
+ATOM     54  N   GLY A   7      10.078   2.017   4.035  1.00  0.33           N
55 
+ATOM     55  CA  GLY A   7      10.976   1.261   3.114  1.00  0.36           C
56 
+ATOM     56  C   GLY A   7      12.182   0.718   3.879  1.00  0.35           C
57 
+ATOM     57  O   GLY A   7      12.583  -0.414   3.694  1.00  0.46           O
58 
+ATOM     58  H01 GLY A   7       9.943   3.009   3.905  1.00  0.33           H
59 
+ATOM     59  N   GLU A   8      12.767   1.509   4.735  1.00  0.38           N
60 
+ATOM     60  CA  GLU A   8      13.946   1.022   5.505  1.00  0.43           C
61 
+ATOM     61  C   GLU A   8      13.659  -0.390   6.019  1.00  0.39           C
62 
+ATOM     62  O   GLU A   8      14.559  -1.170   6.260  1.00  0.45           O
63 
+ATOM     63  CB  GLU A   8      14.207   1.950   6.696  1.00  0.53           C
64 
+ATOM     64  CG  GLU A   8      14.064   3.409   6.256  1.00  1.39           C
65 
+ATOM     65  CD  GLU A   8      14.660   4.324   7.328  1.00  1.74           C
66 
+ATOM     66  OE1 GLU A   8      14.225   4.232   8.464  1.00  2.30           O
67 
+ATOM     67  OE2 GLU A   8      15.540   5.100   6.994  1.00  2.19           O1-
68 
+ATOM     68  H01 GLU A   8      12.422   2.448   4.875  1.00  0.38           H
69 
+ATOM     69  N   GLN A   9      12.408  -0.720   6.195  1.00  0.35           N
70 
+ATOM     70  CA  GLN A   9      12.051  -2.069   6.699  1.00  0.38           C
71 
+ATOM     71  C   GLN A   9      11.745  -3.001   5.523  1.00  0.35           C
72 
+ATOM     72  O   GLN A   9      12.213  -4.121   5.468  1.00  0.40           O
73 
+ATOM     73  CB  GLN A   9      10.811  -1.937   7.578  1.00  0.43           C
74 
+ATOM     74  CG  GLN A   9      11.027  -0.819   8.600  1.00  0.50           C
75 
+ATOM     75  CD  GLN A   9      11.790  -1.365   9.805  1.00  1.06           C
76 
+ATOM     76  NE2 GLN A   9      11.151  -2.059  10.705  1.00  1.49           N
77 
+ATOM     77  OE1 GLN A   9      12.979  -1.155   9.931  1.00  1.97           O
78 
+ATOM     78  H01 GLN A   9      11.679  -0.053   5.987  1.00  0.35           H
79 
+ATOM     79  N   ILE A  10      10.952  -2.550   4.591  1.00  0.32           N
80 
+ATOM     80  CA  ILE A  10      10.597  -3.408   3.424  1.00  0.34           C
81 
+ATOM     81  C   ILE A  10      11.825  -4.171   2.934  1.00  0.31           C
82 
+ATOM     82  O   ILE A  10      12.893  -3.617   2.765  1.00  0.35           O
83 
+ATOM     83  CB  ILE A  10      10.059  -2.546   2.281  1.00  0.37           C
84 
+ATOM     84  CG1 ILE A  10       8.683  -2.005   2.655  1.00  0.51           C
85 
+ATOM     85  CG2 ILE A  10       9.933  -3.402   1.018  1.00  0.35           C
86 
+ATOM     86  CD1 ILE A  10       7.689  -3.158   2.715  1.00  0.78           C
87 
+ATOM     87  H01 ILE A  10      10.576  -1.615   4.660  1.00  0.32           H
88 
+ATOM     88  N   ARG A  11      11.668  -5.440   2.692  1.00  0.33           N
89 
+ATOM     89  CA  ARG A  11      12.794  -6.261   2.200  1.00  0.37           C
90 
+ATOM     90  C   ARG A  11      12.423  -6.834   0.830  1.00  0.39           C
91 
+ATOM     91  O   ARG A  11      13.251  -7.368   0.120  1.00  0.48           O
92 
+ATOM     92  CB  ARG A  11      13.035  -7.400   3.184  1.00  0.50           C
93 
+ATOM     93  CG  ARG A  11      13.677  -6.844   4.458  1.00  0.57           C
94 
+ATOM     94  CD  ARG A  11      15.105  -7.376   4.589  1.00  1.27           C
95 
+ATOM     95  NE  ARG A  11      15.489  -7.404   6.030  1.00  1.87           N
96 
+ATOM     96  CZ  ARG A  11      16.544  -8.065   6.417  1.00  2.53           C
97 
+ATOM     97  H01 ARG A  11      10.766  -5.869   2.842  1.00  0.33           H
98 
+ATOM     98  N   SER A  12      11.174  -6.725   0.458  1.00  0.37           N
99 
+ATOM     99  CA  SER A  12      10.732  -7.258  -0.860  1.00  0.45           C
100 
+ATOM    100  C   SER A  12       9.270  -6.869  -1.096  1.00  0.42           C
101 
+ATOM    101  O   SER A  12       8.619  -6.289  -0.242  1.00  0.37           O
102 
+ATOM    102  CB  SER A  12      10.862  -8.781  -0.865  1.00  0.56           C
103 
+ATOM    103  OG  SER A  12      11.282  -9.221   0.419  1.00  1.44           O
104 
+ATOM    104  H01 SER A  12      10.506  -6.277   1.068  1.00  0.37           H
105 
+ATOM    105  N   ILE A  13       8.741  -7.185  -2.245  1.00  0.47           N
106 
+ATOM    106  CA  ILE A  13       7.324  -6.831  -2.520  1.00  0.46           C
107 
+ATOM    107  C   ILE A  13       6.445  -7.446  -1.435  1.00  0.41           C
108 
+ATOM    108  O   ILE A  13       5.579  -6.799  -0.887  1.00  0.36           O
109 
+ATOM    109  CB  ILE A  13       6.908  -7.370  -3.892  1.00  0.56           C
110 
+ATOM    110  CG1 ILE A  13       5.570  -6.749  -4.313  1.00  0.63           C
111 
+ATOM    111  CG2 ILE A  13       6.753  -8.888  -3.812  1.00  0.64           C
112 
+ATOM    112  CD1 ILE A  13       5.564  -5.246  -4.010  1.00  0.57           C
113 
+ATOM    113  H01 ILE A  13       9.290  -7.667  -2.943  1.00  0.47           H
114 
+ATOM    114  N   SER A  14       6.669  -8.690  -1.109  1.00  0.46           N
115 
+ATOM    115  CA  SER A  14       5.851  -9.332  -0.047  1.00  0.44           C
116 
+ATOM    116  C   SER A  14       5.859  -8.424   1.179  1.00  0.37           C
117 
+ATOM    117  O   SER A  14       4.837  -8.162   1.781  1.00  0.35           O
118 
+ATOM    118  CB  SER A  14       6.453 -10.689   0.312  1.00  0.50           C
119 
+ATOM    119  OG  SER A  14       5.481 -11.469   0.996  1.00  1.07           O
120 
+ATOM    120  H01 SER A  14       7.395  -9.214  -1.576  1.00  0.46           H
121 
+ATOM    121  N   ASP A  15       7.009  -7.928   1.541  1.00  0.34           N
122 
+ATOM    122  CA  ASP A  15       7.097  -7.021   2.709  1.00  0.30           C
123 
+ATOM    123  C   ASP A  15       6.187  -5.819   2.475  1.00  0.24           C
124 
+ATOM    124  O   ASP A  15       5.470  -5.386   3.353  1.00  0.23           O
125 
+ATOM    125  CB  ASP A  15       8.536  -6.538   2.871  1.00  0.30           C
126 
+ATOM    126  CG  ASP A  15       9.056  -6.939   4.254  1.00  0.33           C
127 
+ATOM    127  OD1 ASP A  15       8.483  -7.843   4.840  1.00  1.17           O
128 
+ATOM    128  OD2 ASP A  15      10.015  -6.335   4.705  1.00  1.08           O1-
129 
+ATOM    129  H01 ASP A  15       7.844  -8.163   1.023  1.00  0.34           H
130 
+ATOM    130  N   LEU A  16       6.211  -5.283   1.288  1.00  0.25           N
131 
+ATOM    131  CA  LEU A  16       5.347  -4.111   0.980  1.00  0.23           C
132 
+ATOM    132  C   LEU A  16       3.898  -4.464   1.298  1.00  0.22           C
133 
+ATOM    133  O   LEU A  16       3.233  -3.804   2.073  1.00  0.21           O
134 
+ATOM    134  CB  LEU A  16       5.470  -3.779  -0.505  1.00  0.28           C
135 
+ATOM    135  CG  LEU A  16       4.802  -2.436  -0.784  1.00  0.31           C
136 
+ATOM    136  CD1 LEU A  16       5.341  -1.386   0.188  1.00  0.31           C
137 
+ATOM    137  CD2 LEU A  16       5.110  -2.013  -2.219  1.00  0.39           C
138 
+ATOM    138  H01 LEU A  16       6.817  -5.664   0.575  1.00  0.25           H
139 
+ATOM    139  N   GLN A  18       2.969  -6.639   3.055  1.00  0.19           N
140 
+ATOM    140  CA  GLN A  18       2.905  -7.047   4.475  1.00  0.19           C
141 
+ATOM    141  C   GLN A  18       2.501  -5.844   5.322  1.00  0.17           C
142 
+ATOM    142  O   GLN A  18       1.541  -5.888   6.067  1.00  0.18           O
143 
+ATOM    143  CB  GLN A  18       4.275  -7.553   4.927  1.00  0.21           C
144 
+ATOM    144  CG  GLN A  18       4.092  -8.654   5.975  1.00  0.55           C
145 
+ATOM    145  CD  GLN A  18       5.461  -9.139   6.452  1.00  1.31           C
146 
+ATOM    146  NE2 GLN A  18       5.626 -10.399   6.749  1.00  2.02           N
147 
+ATOM    147  OE1 GLN A  18       6.390  -8.363   6.557  1.00  2.11           O
148 
+ATOM    148  H01 GLN A  18       2.794  -7.440   2.466  1.00  0.19           H
149 
+ATOM    149  H02 GLN A  18       2.272  -5.930   2.876  1.00  0.19           H
150 
+ATOM    150  N   LEU A  20       1.286  -3.056   4.258  1.00  0.16           N
151 
+ATOM    151  CA  LEU A  20      -0.022  -2.590   3.751  1.00  0.18           C
152 
+ATOM    152  C   LEU A  20      -1.104  -3.472   4.365  1.00  0.17           C
153 
+ATOM    153  O   LEU A  20      -2.183  -3.040   4.683  1.00  0.24           O
154 
+ATOM    154  CB  LEU A  20      -0.050  -2.738   2.232  1.00  0.19           C
155 
+ATOM    155  CG  LEU A  20       0.878  -1.705   1.588  1.00  0.20           C
156 
+ATOM    156  CD1 LEU A  20       0.822  -1.851   0.068  1.00  0.23           C
157 
+ATOM    157  CD2 LEU A  20       0.434  -0.292   1.981  1.00  0.21           C
158 
+ATOM    158  H01 LEU A  20       1.621  -3.814   3.680  1.00  0.16           H
159 
+ATOM    159  H03 LEU A  20       1.183  -3.378   5.210  1.00  0.16           H
160 
+ATOM    160  N   LYS A  21      -0.794  -4.716   4.530  1.00  0.16           N
161 
+ATOM    161  CA  LYS A  21      -1.760  -5.680   5.122  1.00  0.16           C
162 
+ATOM    162  C   LYS A  21      -2.011  -5.324   6.586  1.00  0.17           C
163 
+ATOM    163  O   LYS A  21      -3.123  -5.365   7.059  1.00  0.19           O
164 
+ATOM    164  CB  LYS A  21      -1.173  -7.088   5.035  1.00  0.17           C
165 
+ATOM    165  CG  LYS A  21      -2.174  -8.100   5.593  1.00  0.29           C
166 
+ATOM    166  CD  LYS A  21      -1.414  -9.229   6.292  1.00  0.68           C
167 
+ATOM    167  CE  LYS A  21      -2.407 -10.255   6.837  1.00  1.26           C
168 
+ATOM    168  NZ  LYS A  21      -1.733 -11.101   7.860  1.00  1.94           N1+
169 
+ATOM    169  H02 LYS A  21       0.121  -5.040   4.252  1.00  0.16           H
170 
+ATOM    170  N   LYS A  22      -0.991  -4.980   7.317  1.00  0.18           N
171 
+ATOM    171  CA  LYS A  22      -1.204  -4.631   8.741  1.00  0.20           C
172 
+ATOM    172  C   LYS A  22      -2.006  -3.335   8.817  1.00  0.23           C
173 
+ATOM    173  O   LYS A  22      -3.074  -3.277   9.390  1.00  0.29           O
174 
+ATOM    174  CB  LYS A  22       0.142  -4.442   9.432  1.00  0.22           C
175 
+ATOM    175  CG  LYS A  22       0.148  -5.278  10.717  1.00  0.83           C
176 
+ATOM    176  CD  LYS A  22       1.553  -5.339  11.302  1.00  1.43           C
177 
+ATOM    177  CE  LYS A  22       1.494  -6.033  12.671  1.00  2.18           C
178 
+ATOM    178  NZ  LYS A  22       2.827  -6.602  13.001  1.00  2.84           N1+
179 
+ATOM    179  H01 LYS A  22      -0.064  -4.951   6.918  1.00  0.18           H
180 
+ATOM    180  N   GLU A  23      -1.495  -2.303   8.219  1.00  0.22           N
181 
+ATOM    181  CA  GLU A  23      -2.195  -1.004   8.212  1.00  0.26           C
182 
+ATOM    182  C   GLU A  23      -3.621  -1.224   7.716  1.00  0.24           C
183 
+ATOM    183  O   GLU A  23      -4.587  -1.066   8.436  1.00  0.27           O
184 
+ATOM    184  CB  GLU A  23      -1.450  -0.080   7.250  1.00  0.29           C
185 
+ATOM    185  CG  GLU A  23      -0.006   0.098   7.725  1.00  0.35           C
186 
+ATOM    186  CD  GLU A  23       0.032   1.057   8.914  1.00  1.53           C
187 
+ATOM    187  OE1 GLU A  23      -1.026   1.364   9.438  1.00  2.29           O
188 
+ATOM    188  OE2 GLU A  23       1.120   1.471   9.280  1.00  2.27           O1-
189 
+ATOM    189  H01 GLU A  23      -0.604  -2.390   7.751  1.00  0.22           H
190 
+ATOM    190  N   LEU A  24      -3.737  -1.599   6.480  1.00  0.23           N
191 
+ATOM    191  CA  LEU A  24      -5.066  -1.859   5.871  1.00  0.23           C
192 
+ATOM    192  C   LEU A  24      -5.767  -2.996   6.618  1.00  0.22           C
193 
+ATOM    193  O   LEU A  24      -6.953  -3.209   6.467  1.00  0.24           O
194 
+ATOM    194  CB  LEU A  24      -4.848  -2.277   4.418  1.00  0.21           C
195 
+ATOM    195  CG  LEU A  24      -4.150  -1.150   3.658  1.00  0.25           C
196 
+ATOM    196  CD1 LEU A  24      -3.120  -1.750   2.701  1.00  0.20           C
197 
+ATOM    197  CD2 LEU A  24      -5.184  -0.352   2.862  1.00  0.40           C
198 
+ATOM    198  H01 LEU A  24      -2.905  -1.717   5.919  1.00  0.23           H
199 
+ATOM    199  N   ALA A  25      -5.043  -3.736   7.416  1.00  0.21           N
200 
+ATOM    200  CA  ALA A  25      -5.667  -4.860   8.158  1.00  0.22           C
201 
+ATOM    201  C   ALA A  25      -6.369  -5.796   7.170  1.00  0.21           C
202 
+ATOM    202  O   ALA A  25      -7.501  -6.191   7.366  1.00  0.23           O
203 
+ATOM    203  CB  ALA A  25      -6.670  -4.292   9.152  1.00  0.26           C
204 
+ATOM    204  H01 ALA A  25      -4.058  -3.543   7.528  1.00  0.21           H
205 
+ATOM    205  N   LEU A  26      -5.693  -6.152   6.112  1.00  0.21           N
206 
+ATOM    206  CA  LEU A  26      -6.293  -7.062   5.095  1.00  0.24           C
207 
+ATOM    207  C   LEU A  26      -6.438  -8.468   5.690  1.00  0.28           C
208 
+ATOM    208  O   LEU A  26      -5.795  -8.792   6.669  1.00  0.30           O
209 
+ATOM    209  CB  LEU A  26      -5.371  -7.117   3.872  1.00  0.23           C
210 
+ATOM    210  CG  LEU A  26      -4.954  -5.697   3.483  1.00  0.21           C
211 
+ATOM    211  CD1 LEU A  26      -3.954  -5.751   2.337  1.00  0.26           C
212 
+ATOM    212  CD2 LEU A  26      -6.187  -4.909   3.043  1.00  0.23           C
213 
+ATOM    213  H01 LEU A  26      -4.753  -5.807   5.981  1.00  0.21           H
214 
+ATOM    214  N   PRO A  27      -7.280  -9.262   5.077  1.00  0.34           N
215 
+ATOM    215  CA  PRO A  27      -7.526 -10.643   5.529  1.00  0.41           C
216 
+ATOM    216  C   PRO A  27      -6.221 -11.438   5.555  1.00  0.39           C
217 
+ATOM    217  O   PRO A  27      -5.165 -10.932   5.233  1.00  0.31           O
218 
+ATOM    218  CB  PRO A  27      -8.489 -11.230   4.490  1.00  0.48           C
219 
+ATOM    219  CG  PRO A  27      -8.880 -10.091   3.514  1.00  0.48           C
220 
+ATOM    220  CD  PRO A  27      -8.054  -8.852   3.890  1.00  0.38           C
221 
+ATOM    221  N   GLU A  28      -6.289 -12.685   5.931  1.00  0.50           N
222 
+ATOM    222  CA  GLU A  28      -5.058 -13.519   5.972  1.00  0.53           C
223 
+ATOM    223  C   GLU A  28      -4.729 -13.997   4.558  1.00  0.49           C
224 
+ATOM    224  O   GLU A  28      -3.622 -14.407   4.273  1.00  0.51           O
225 
+ATOM    225  CB  GLU A  28      -5.295 -14.732   6.871  1.00  0.67           C
226 
+ATOM    226  CG  GLU A  28      -5.557 -14.268   8.305  1.00  1.14           C
227 
+ATOM    227  CD  GLU A  28      -5.237 -15.405   9.276  1.00  1.65           C
228 
+ATOM    228  OE1 GLU A  28      -4.380 -16.210   8.953  1.00  2.31           O
229 
+ATOM    229  OE2 GLU A  28      -5.856 -15.452  10.327  1.00  2.20           O1-
230 
+ATOM    230  H01 GLU A  28      -7.178 -13.085   6.195  1.00  0.50           H
231 
+ATOM    231  N   TYR A  29      -5.686 -13.952   3.671  1.00  0.47           N
232 
+ATOM    232  CA  TYR A  29      -5.426 -14.409   2.279  1.00  0.44           C
233 
+ATOM    233  C   TYR A  29      -5.020 -13.218   1.409  1.00  0.37           C
234 
+ATOM    234  O   TYR A  29      -4.999 -13.312   0.198  1.00  0.38           O
235 
+ATOM    235  CB  TYR A  29      -6.686 -15.061   1.704  1.00  0.51           C
236 
+ATOM    236  CG  TYR A  29      -7.900 -14.250   2.087  1.00  0.66           C
237 
+ATOM    237  CD1 TYR A  29      -8.300 -13.171   1.290  1.00  1.29           C
238 
+ATOM    238  CD2 TYR A  29      -8.627 -14.579   3.237  1.00  1.53           C
239 
+ATOM    239  CE1 TYR A  29      -9.428 -12.421   1.643  1.00  1.43           C
240 
+ATOM    240  CE2 TYR A  29      -9.756 -13.829   3.590  1.00  1.75           C
241 
+ATOM    241  CZ  TYR A  29     -10.156 -12.750   2.793  1.00  1.24           C
242 
+ATOM    242  H01 TYR A  29      -6.600 -13.608   3.929  1.00  0.47           H
243 
+ATOM    243  N   TYR A  30      -4.694 -12.103   2.017  1.00  0.32           N
244 
+ATOM    244  CA  TYR A  30      -4.275 -10.903   1.222  1.00  0.28           C
245 
+ATOM    245  C   TYR A  30      -3.419 -11.366   0.035  1.00  0.32           C
246 
+ATOM    246  O   TYR A  30      -2.281 -11.759   0.193  1.00  0.38           O
247 
+ATOM    247  CB  TYR A  30      -3.462  -9.958   2.121  1.00  0.29           C
248 
+ATOM    248  CG  TYR A  30      -3.006  -8.741   1.339  1.00  0.20           C
249 
+ATOM    249  CD1 TYR A  30      -3.750  -8.286   0.243  1.00  0.47           C
250 
+ATOM    250  CD2 TYR A  30      -1.832  -8.068   1.715  1.00  0.48           C
251 
+ATOM    251  CE1 TYR A  30      -3.319  -7.163  -0.477  1.00  0.49           C
252 
+ATOM    252  CE2 TYR A  30      -1.400  -6.943   0.995  1.00  0.49           C
253 
+ATOM    253  CZ  TYR A  30      -2.145  -6.493  -0.102  1.00  0.25           C
254 
+ATOM    254  H01 TYR A  30      -4.725 -12.052   3.025  1.00  0.32           H
255 
+ATOM    255  N   GLY A  31      -3.974 -11.339  -1.151  1.00  0.39           N
256 
+ATOM    256  CA  GLY A  31      -3.215 -11.796  -2.357  1.00  0.51           C
257 
+ATOM    257  C   GLY A  31      -2.004 -10.892  -2.611  1.00  0.58           C
258 
+ATOM    258  O   GLY A  31      -1.214 -11.146  -3.495  1.00  1.36           O
259 
+ATOM    259  H01 GLY A  31      -4.922 -11.007  -1.253  1.00  0.39           H
260 
+ATOM    260  N   GLU A  32      -1.870  -9.835  -1.853  1.00  0.56           N
261 
+ATOM    261  CA  GLU A  32      -0.726  -8.877  -2.011  1.00  0.54           C
262 
+ATOM    262  C   GLU A  32      -0.533  -8.420  -3.470  1.00  0.54           C
263 
+ATOM    263  O   GLU A  32       0.377  -7.671  -3.760  1.00  0.59           O
264 
+ATOM    264  CB  GLU A  32       0.582  -9.491  -1.474  1.00  0.66           C
265 
+ATOM    265  CG  GLU A  32       0.741 -10.947  -1.915  1.00  1.51           C
266 
+ATOM    266  CD  GLU A  32       2.052 -11.506  -1.358  1.00  1.87           C
267 
+ATOM    267  OE1 GLU A  32       3.044 -10.799  -1.410  1.00  2.36           O
268 
+ATOM    268  OE2 GLU A  32       2.040 -12.632  -0.890  1.00  2.37           O1-
269 
+ATOM    269  H01 GLU A  32      -2.560  -9.657  -1.137  1.00  0.56           H
270 
+ATOM    270  N   ASN A  33      -1.373  -8.817  -4.389  1.00  0.51           N
271 
+ATOM    271  CA  ASN A  33      -1.203  -8.335  -5.792  1.00  0.53           C
272 
+ATOM    272  C   ASN A  33      -1.891  -6.977  -5.927  1.00  0.50           C
273 
+ATOM    273  O   ASN A  33      -2.423  -6.444  -4.974  1.00  0.56           O
274 
+ATOM    274  CB  ASN A  33      -1.811  -9.321  -6.806  1.00  0.54           C
275 
+ATOM    275  CG  ASN A  33      -2.420 -10.533  -6.096  1.00  0.62           C
276 
+ATOM    276  ND2 ASN A  33      -3.703 -10.559  -5.864  1.00  0.82           N
277 
+ATOM    277  OD1 ASN A  33      -1.721 -11.465  -5.752  1.00  1.57           O
278 
+ATOM    278  H01 ASN A  33      -2.129  -9.443  -4.153  1.00  0.51           H
279 
+ATOM    279  N   LEU A  34      -1.918  -6.429  -7.107  1.00  0.48           N
280 
+ATOM    280  CA  LEU A  34      -2.609  -5.125  -7.305  1.00  0.47           C
281 
+ATOM    281  C   LEU A  34      -4.108  -5.392  -7.331  1.00  0.40           C
282 
+ATOM    282  O   LEU A  34      -4.911  -4.621  -6.852  1.00  0.37           O
283 
+ATOM    283  CB  LEU A  34      -2.204  -4.539  -8.650  1.00  0.55           C
284 
+ATOM    284  CG  LEU A  34      -0.749  -4.072  -8.606  1.00  0.64           C
285 
+ATOM    285  CD1 LEU A  34      -0.358  -3.503  -9.971  1.00  0.82           C
286 
+ATOM    286  CD2 LEU A  34      -0.590  -2.986  -7.539  1.00  0.61           C
287 
+ATOM    287  H01 LEU A  34      -1.471  -6.888  -7.888  1.00  0.48           H
288 
+ATOM    288  N   ASP A  35      -4.469  -6.494  -7.911  1.00  0.39           N
289 
+ATOM    289  CA  ASP A  35      -5.897  -6.886  -8.018  1.00  0.36           C
290 
+ATOM    290  C   ASP A  35      -6.467  -7.173  -6.632  1.00  0.30           C
291 
+ATOM    291  O   ASP A  35      -7.614  -6.894  -6.351  1.00  0.28           O
292 
+ATOM    292  CB  ASP A  35      -5.975  -8.167  -8.833  1.00  0.38           C
293 
+ATOM    293  CG  ASP A  35      -5.683  -7.865 -10.303  1.00  0.43           C
294 
+ATOM    294  OD1 ASP A  35      -6.344  -7.000 -10.853  1.00  1.24           O
295 
+ATOM    295  OD2 ASP A  35      -4.803  -8.506 -10.856  1.00  1.06           O1-
296 
+ATOM    296  H01 ASP A  35      -3.761  -7.101  -8.300  1.00  0.39           H
297 
+ATOM    297  N   ALA A  36      -5.676  -7.742  -5.769  1.00  0.29           N
298 
+ATOM    298  CA  ALA A  36      -6.180  -8.058  -4.401  1.00  0.25           C
299 
+ATOM    299  C   ALA A  36      -6.124  -6.799  -3.563  1.00  0.22           C
300 
+ATOM    300  O   ALA A  36      -7.111  -6.353  -3.016  1.00  0.22           O
301 
+ATOM    301  CB  ALA A  36      -5.310  -9.125  -3.749  1.00  0.29           C
302 
+ATOM    302  H01 ALA A  36      -4.725  -7.969  -6.024  1.00  0.29           H
303 
+ATOM    303  N   LEU A  37      -4.967  -6.217  -3.477  1.00  0.21           N
304 
+ATOM    304  CA  LEU A  37      -4.820  -4.966  -2.697  1.00  0.19           C
305 
+ATOM    305  C   LEU A  37      -5.987  -4.058  -3.064  1.00  0.16           C
306 
+ATOM    306  O   LEU A  37      -6.706  -3.539  -2.224  1.00  0.16           O
307 
+ATOM    307  CB  LEU A  37      -3.502  -4.299  -3.095  1.00  0.21           C
308 
+ATOM    308  CG  LEU A  37      -3.539  -2.815  -2.724  1.00  0.20           C
309 
+ATOM    309  CD1 LEU A  37      -3.557  -2.667  -1.201  1.00  0.22           C
310 
+ATOM    310  CD2 LEU A  37      -2.302  -2.115  -3.290  1.00  0.24           C
311 
+ATOM    311  H01 LEU A  37      -4.165  -6.618  -3.943  1.00  0.21           H
312 
+ATOM    312  N   TRP A  38      -6.173  -3.884  -4.333  1.00  0.17           N
313 
+ATOM    313  CA  TRP A  38      -7.277  -3.046  -4.821  1.00  0.16           C
314 
+ATOM    314  C   TRP A  38      -8.577  -3.613  -4.303  1.00  0.16           C
315 
+ATOM    315  O   TRP A  38      -9.345  -2.951  -3.643  1.00  0.16           O
316 
+ATOM    316  CB  TRP A  38      -7.315  -3.093  -6.341  1.00  0.18           C
317 
+ATOM    317  CG  TRP A  38      -8.456  -2.267  -6.801  1.00  0.18           C
318 
+ATOM    318  CD1 TRP A  38      -9.708  -2.718  -6.963  1.00  0.21           C
319 
+ATOM    319  CD2 TRP A  38      -8.476  -0.860  -7.128  1.00  0.18           C
320 
+ATOM    320  CE2 TRP A  38      -9.785  -0.502  -7.508  1.00  0.20           C
321 
+ATOM    321  CE3 TRP A  38      -7.487   0.125  -7.138  1.00  0.17           C
322 
+ATOM    322  NE1 TRP A  38     -10.508  -1.672  -7.389  1.00  0.23           N
323 
+ATOM    323  CZ2 TRP A  38     -10.099   0.802  -7.885  1.00  0.22           C
324 
+ATOM    324  CZ3 TRP A  38      -7.785   1.430  -7.507  1.00  0.19           C
325 
+ATOM    325  H01 TRP A  38      -5.553  -4.329  -4.995  1.00  0.17           H
326 
+ATOM    326  N   ASP A  39      -8.815  -4.850  -4.599  1.00  0.17           N
327 
+ATOM    327  CA  ASP A  39     -10.061  -5.500  -4.130  1.00  0.18           C
328 
+ATOM    328  C   ASP A  39     -10.283  -5.117  -2.672  1.00  0.18           C
329 
+ATOM    329  O   ASP A  39     -11.394  -5.091  -2.182  1.00  0.21           O
330 
+ATOM    330  CB  ASP A  39      -9.927  -7.017  -4.254  1.00  0.21           C
331 
+ATOM    331  CG  ASP A  39     -10.613  -7.488  -5.537  1.00  0.29           C
332 
+ATOM    332  OD1 ASP A  39     -10.045  -7.286  -6.598  1.00  1.13           O
333 
+ATOM    333  OD2 ASP A  39     -11.695  -8.044  -5.438  1.00  1.06           O1-
334 
+ATOM    334  H01 ASP A  39      -8.150  -5.373  -5.151  1.00  0.17           H
335 
+ATOM    335  N   CYS A  40      -9.222  -4.807  -1.977  1.00  0.17           N
336 
+ATOM    336  CA  CYS A  40      -9.354  -4.412  -0.556  1.00  0.19           C
337 
+ATOM    337  C   CYS A  40      -9.797  -2.948  -0.466  1.00  0.19           C
338 
+ATOM    338  O   CYS A  40     -10.745  -2.623   0.218  1.00  0.23           O
339 
+ATOM    339  CB  CYS A  40      -8.001  -4.580   0.132  1.00  0.21           C
340 
+ATOM    340  SG  CYS A  40      -7.334  -6.221  -0.239  1.00  0.58           S
341 
+ATOM    341  H01 CYS A  40      -8.310  -4.837  -2.409  1.00  0.17           H
342 
+ATOM    342  N   LEU A  41      -9.117  -2.057  -1.142  1.00  0.17           N
343 
+ATOM    343  CA  LEU A  41      -9.497  -0.625  -1.076  1.00  0.18           C
344 
+ATOM    344  C   LEU A  41     -10.943  -0.424  -1.548  1.00  0.21           C
345 
+ATOM    345  O   LEU A  41     -11.729   0.247  -0.908  1.00  0.45           O
346 
+ATOM    346  CB  LEU A  41      -8.562   0.173  -1.981  1.00  0.17           C
347 
+ATOM    347  CG  LEU A  41      -7.117  -0.285  -1.776  1.00  0.19           C
348 
+ATOM    348  CD1 LEU A  41      -6.189   0.625  -2.567  1.00  0.18           C
349 
+ATOM    349  CD2 LEU A  41      -6.760  -0.219  -0.289  1.00  0.31           C
350 
+ATOM    350  H01 LEU A  41      -8.333  -2.345  -1.709  1.00  0.17           H
351 
+ATOM    351  N   GLY A  43     -13.262  -2.363  -1.452  1.00  0.27           N
352 
+ATOM    352  CA  GLY A  43     -14.258  -3.210  -0.729  1.00  0.31           C
353 
+ATOM    353  C   GLY A  43     -13.627  -3.900   0.484  1.00  0.27           C
354 
+ATOM    354  O   GLY A  43     -13.610  -5.112   0.574  1.00  0.32           O
355 
+ATOM    355  H01 GLY A  43     -13.625  -2.118  -2.362  1.00  0.27           H
356 
+ATOM    356  H02 GLY A  43     -13.086  -1.522  -0.921  1.00  0.27           H
357 
+ATOM    357  N   TRP A  44     -13.125  -3.148   1.425  1.00  0.25           N
358 
+ATOM    358  CA  TRP A  44     -12.519  -3.775   2.630  1.00  0.23           C
359 
+ATOM    359  C   TRP A  44     -11.944  -2.689   3.540  1.00  0.23           C
360 
+ATOM    360  O   TRP A  44     -12.415  -2.466   4.637  1.00  0.27           O
361 
+ATOM    361  CB  TRP A  44     -11.402  -4.721   2.201  1.00  0.24           C
362 
+ATOM    362  CG  TRP A  44     -10.808  -5.362   3.411  1.00  0.26           C
363 
+ATOM    363  CD1 TRP A  44      -9.735  -4.894   4.085  1.00  0.27           C
364 
+ATOM    364  CD2 TRP A  44     -11.233  -6.571   4.106  1.00  0.30           C
365 
+ATOM    365  CE2 TRP A  44     -10.366  -6.788   5.202  1.00  0.34           C
366 
+ATOM    366  CE3 TRP A  44     -12.274  -7.493   3.891  1.00  0.35           C
367 
+ATOM    367  NE1 TRP A  44      -9.470  -5.739   5.146  1.00  0.31           N
368 
+ATOM    368  CZ2 TRP A  44     -10.527  -7.879   6.058  1.00  0.41           C
369 
+ATOM    369  CZ3 TRP A  44     -12.439  -8.592   4.750  1.00  0.43           C
370 
+ATOM    370  H03 TRP A  44     -13.148  -2.142   1.335  1.00  0.25           H
371 
+ATOM    371  N   VAL A  45     -10.925  -2.016   3.089  1.00  0.25           N
372 
+ATOM    372  CA  VAL A  45     -10.304  -0.949   3.912  1.00  0.26           C
373 
+ATOM    373  C   VAL A  45     -11.350   0.112   4.253  1.00  0.25           C
374 
+ATOM    374  O   VAL A  45     -12.264   0.362   3.493  1.00  0.37           O
375 
+ATOM    375  CB  VAL A  45      -9.165  -0.300   3.125  1.00  0.30           C
376 
+ATOM    376  CG1 VAL A  45      -8.436   0.706   4.017  1.00  0.42           C
377 
+ATOM    377  CG2 VAL A  45      -8.181  -1.377   2.661  1.00  0.28           C
378 
+ATOM    378  H01 VAL A  45     -10.554  -2.222   2.172  1.00  0.25           H
379 
+ATOM    379  N   GLU A  46     -11.215   0.751   5.382  1.00  0.21           N
380 
+ATOM    380  CA  GLU A  46     -12.197   1.808   5.755  1.00  0.23           C
381 
+ATOM    381  C   GLU A  46     -11.566   3.177   5.505  1.00  0.22           C
382 
+ATOM    382  O   GLU A  46     -10.440   3.435   5.880  1.00  0.22           O
383 
+ATOM    383  CB  GLU A  46     -12.600   1.688   7.231  1.00  0.30           C
384 
+ATOM    384  CG  GLU A  46     -11.576   0.848   7.993  1.00  1.31           C
385 
+ATOM    385  CD  GLU A  46     -12.107   0.545   9.395  1.00  1.80           C
386 
+ATOM    386  OE1 GLU A  46     -13.089  -0.173   9.493  1.00  2.43           O
387 
+ATOM    387  OE2 GLU A  46     -11.524   1.036  10.347  1.00  2.28           O1-
388 
+ATOM    388  H01 GLU A  46     -10.448   0.530   6.001  1.00  0.21           H
389 
+ATOM    389  N   TYR A  47     -12.285   4.047   4.861  1.00  0.22           N
390 
+ATOM    390  CA  TYR A  47     -11.744   5.402   4.559  1.00  0.22           C
391 
+ATOM    391  C   TYR A  47     -12.564   6.446   5.329  1.00  0.26           C
392 
+ATOM    392  O   TYR A  47     -13.586   6.110   5.892  1.00  0.29           O
393 
+ATOM    393  CB  TYR A  47     -11.851   5.623   3.045  1.00  0.24           C
394 
+ATOM    394  CG  TYR A  47     -10.868   4.720   2.323  1.00  0.24           C
395 
+ATOM    395  CD1 TYR A  47      -9.830   4.081   3.021  1.00  1.25           C
396 
+ATOM    396  CD2 TYR A  47     -10.994   4.520   0.945  1.00  1.21           C
397 
+ATOM    397  CE1 TYR A  47      -8.935   3.251   2.342  1.00  1.27           C
398 
+ATOM    398  CE2 TYR A  47     -10.094   3.692   0.272  1.00  1.20           C
399 
+ATOM    399  CZ  TYR A  47      -9.067   3.058   0.970  1.00  0.29           C
400 
+ATOM    400  H01 TYR A  47     -13.218   3.803   4.563  1.00  0.22           H
401 
+ATOM    401  N   PRO A  48     -12.102   7.682   5.359  1.00  0.27           N
402 
+ATOM    402  CA  PRO A  48     -10.858   8.134   4.685  1.00  0.25           C
403 
+ATOM    403  C   PRO A  48      -9.620   7.409   5.219  1.00  0.22           C
404 
+ATOM    404  O   PRO A  48      -9.455   7.234   6.406  1.00  0.30           O
405 
+ATOM    405  CB  PRO A  48     -10.761   9.631   5.010  1.00  0.28           C
406 
+ATOM    406  CG  PRO A  48     -11.970  10.004   5.902  1.00  0.33           C
407 
+ATOM    407  CD  PRO A  48     -12.815   8.738   6.097  1.00  0.32           C
408 
+ATOM    408  N   LEU A  49      -8.744   7.000   4.338  1.00  0.20           N
409 
+ATOM    409  CA  LEU A  49      -7.502   6.298   4.775  1.00  0.19           C
410 
+ATOM    410  C   LEU A  49      -6.301   7.182   4.462  1.00  0.19           C
411 
+ATOM    411  O   LEU A  49      -6.335   7.998   3.567  1.00  0.20           O
412 
+ATOM    412  CB  LEU A  49      -7.362   4.977   3.994  1.00  0.18           C
413 
+ATOM    413  CG  LEU A  49      -5.885   4.560   3.861  1.00  0.17           C
414 
+ATOM    414  CD1 LEU A  49      -5.350   4.066   5.209  1.00  0.20           C
415 
+ATOM    415  CD2 LEU A  49      -5.759   3.447   2.816  1.00  0.16           C
416 
+ATOM    416  H01 LEU A  49      -8.909   7.161   3.355  1.00  0.20           H
417 
+ATOM    417  N   VAL A  50      -5.222   6.985   5.157  1.00  0.21           N
418 
+ATOM    418  CA  VAL A  50      -4.003   7.770   4.857  1.00  0.22           C
419 
+ATOM    419  C   VAL A  50      -2.919   6.786   4.408  1.00  0.20           C
420 
+ATOM    420  O   VAL A  50      -2.748   5.736   4.987  1.00  0.21           O
421 
+ATOM    421  CB  VAL A  50      -3.555   8.555   6.114  1.00  0.26           C
422 
+ATOM    422  CG1 VAL A  50      -2.135   8.158   6.542  1.00  0.26           C
423 
+ATOM    423  CG2 VAL A  50      -3.567  10.051   5.802  1.00  0.29           C
424 
+ATOM    424  H01 VAL A  50      -5.214   6.300   5.899  1.00  0.21           H
425 
+ATOM    425  N   LEU A  51      -2.167   7.122   3.409  1.00  0.19           N
426 
+ATOM    426  CA  LEU A  51      -1.081   6.210   2.976  1.00  0.18           C
427 
+ATOM    427  C   LEU A  51       0.228   6.969   3.109  1.00  0.18           C
428 
+ATOM    428  O   LEU A  51       0.745   7.517   2.155  1.00  0.20           O
429 
+ATOM    429  CB  LEU A  51      -1.267   5.748   1.523  1.00  0.17           C
430 
+ATOM    430  CG  LEU A  51      -0.106   4.823   1.149  1.00  0.19           C
431 
+ATOM    431  CD1 LEU A  51      -0.195   3.543   1.973  1.00  0.21           C
432 
+ATOM    432  CD2 LEU A  51      -0.185   4.451  -0.328  1.00  0.18           C
433 
+ATOM    433  H01 LEU A  51      -2.319   7.998   2.929  1.00  0.19           H
434 
+ATOM    434  N   GLU A  52       0.760   7.014   4.296  1.00  0.19           N
435 
+ATOM    435  CA  GLU A  52       2.031   7.743   4.505  1.00  0.21           C
436 
+ATOM    436  C   GLU A  52       3.158   6.861   3.988  1.00  0.19           C
437 
+ATOM    437  O   GLU A  52       3.789   6.122   4.721  1.00  0.19           O
438 
+ATOM    438  CB  GLU A  52       2.213   8.030   5.996  1.00  0.24           C
439 
+ATOM    439  CG  GLU A  52       3.642   8.508   6.256  1.00  0.30           C
440 
+ATOM    440  CD  GLU A  52       3.650   9.471   7.444  1.00  0.64           C
441 
+ATOM    441  OE1 GLU A  52       2.717   9.420   8.229  1.00  1.28           O
442 
+ATOM    442  OE2 GLU A  52       4.588  10.244   7.550  1.00  1.44           O1-
443 
+ATOM    443  H01 GLU A  52       0.307   6.553   5.072  1.00  0.19           H
444 
+ATOM    444  N   TRP A  53       3.385   6.915   2.708  1.00  0.20           N
445 
+ATOM    445  CA  TRP A  53       4.436   6.072   2.099  1.00  0.20           C
446 
+ATOM    446  C   TRP A  53       5.813   6.694   2.321  1.00  0.24           C
447 
+ATOM    447  O   TRP A  53       6.142   7.720   1.760  1.00  0.38           O
448 
+ATOM    448  CB  TRP A  53       4.175   5.945   0.603  1.00  0.24           C
449 
+ATOM    449  CG  TRP A  53       4.807   4.689   0.123  1.00  0.23           C
450 
+ATOM    450  CD1 TRP A  53       6.084   4.326   0.376  1.00  0.25           C
451 
+ATOM    451  CD2 TRP A  53       4.223   3.620  -0.671  1.00  0.21           C
452 
+ATOM    452  CE2 TRP A  53       5.210   2.627  -0.872  1.00  0.24           C
453 
+ATOM    453  CE3 TRP A  53       2.948   3.416  -1.234  1.00  0.21           C
454 
+ATOM    454  NE1 TRP A  53       6.325   3.103  -0.214  1.00  0.26           N
455 
+ATOM    455  CZ2 TRP A  53       4.946   1.474  -1.601  1.00  0.25           C
456 
+ATOM    456  CZ3 TRP A  53       2.684   2.251  -1.974  1.00  0.23           C
457 
+ATOM    457  H01 TRP A  53       2.840   7.536   2.127  1.00  0.20           H
458 
+ATOM    458  N   ARG A  54       6.627   6.069   3.124  1.00  0.26           N
459 
+ATOM    459  CA  ARG A  54       7.992   6.607   3.371  1.00  0.35           C
460 
+ATOM    460  C   ARG A  54       8.988   5.823   2.515  1.00  0.49           C
461 
+ATOM    461  O   ARG A  54       8.781   4.663   2.219  1.00  1.33           O
462 
+ATOM    462  CB  ARG A  54       8.346   6.446   4.849  1.00  0.44           C
463 
+ATOM    463  CG  ARG A  54       8.545   7.825   5.481  1.00  0.88           C
464 
+ATOM    464  CD  ARG A  54       8.772   7.667   6.985  1.00  1.09           C
465 
+ATOM    465  NE  ARG A  54      10.009   8.396   7.382  1.00  1.40           N
466 
+ATOM    466  CZ  ARG A  54      10.254   8.632   8.637  1.00  1.87           C
467 
+ATOM    467  H01 ARG A  54       6.331   5.218   3.580  1.00  0.26           H
468 
+ATOM    468  N   GLN A  55      10.062   6.439   2.107  1.00  0.53           N
469 
+ATOM    469  CA  GLN A  55      11.050   5.709   1.264  1.00  0.46           C
470 
+ATOM    470  C   GLN A  55      10.308   5.032   0.111  1.00  0.53           C
471 
+ATOM    471  O   GLN A  55      10.193   3.826   0.056  1.00  1.30           O
472 
+ATOM    472  CB  GLN A  55      11.759   4.650   2.111  1.00  0.55           C
473 
+ATOM    473  CG  GLN A  55      13.251   4.974   2.186  1.00  1.05           C
474 
+ATOM    474  CD  GLN A  55      13.542   5.750   3.472  1.00  1.22           C
475 
+ATOM    475  NE2 GLN A  55      14.698   6.338   3.616  1.00  1.89           N
476 
+ATOM    476  OE1 GLN A  55      12.710   5.822   4.354  1.00  1.82           O
477 
+ATOM    477  H01 GLN A  55      10.223   7.403   2.360  1.00  0.53           H
478 
+ATOM    478  N   GLU A  57      10.824   5.355  -3.595  1.00  0.67           N
479 
+ATOM    479  CA  GLU A  57      11.784   4.768  -4.576  1.00  0.65           C
480 
+ATOM    480  C   GLU A  57      12.637   3.708  -3.882  1.00  0.58           C
481 
+ATOM    481  O   GLU A  57      13.002   2.709  -4.467  1.00  0.58           O
482 
+ATOM    482  CB  GLU A  57      12.703   5.861  -5.118  1.00  0.80           C
483 
+ATOM    483  CG  GLU A  57      11.991   6.634  -6.229  1.00  1.16           C
484 
+ATOM    484  CD  GLU A  57      12.794   7.891  -6.571  1.00  1.75           C
485 
+ATOM    485  OE1 GLU A  57      13.812   8.110  -5.935  1.00  2.34           O
486 
+ATOM    486  OE2 GLU A  57      12.378   8.612  -7.462  1.00  2.41           O1-
487 
+ATOM    487  H01 GLU A  57      11.203   5.273  -2.662  1.00  0.67           H
488 
+ATOM    488  H02 GLU A  57      10.673   6.329  -3.813  1.00  0.67           H
489 
+ATOM    489  N   GLN A  58      12.961   3.924  -2.638  1.00  0.58           N
490 
+ATOM    490  CA  GLN A  58      13.786   2.942  -1.899  1.00  0.60           C
491 
+ATOM    491  C   GLN A  58      12.982   1.655  -1.731  1.00  0.53           C
492 
+ATOM    492  O   GLN A  58      13.524   0.569  -1.730  1.00  0.56           O
493 
+ATOM    493  CB  GLN A  58      14.158   3.516  -0.530  1.00  0.69           C
494 
+ATOM    494  CG  GLN A  58      15.064   4.735  -0.723  1.00  0.94           C
495 
+ATOM    495  CD  GLN A  58      16.526   4.322  -0.542  1.00  1.56           C
496 
+ATOM    496  NE2 GLN A  58      17.472   5.114  -0.966  1.00  1.94           N
497 
+ATOM    497  OE1 GLN A  58      16.810   3.268  -0.008  1.00  2.34           O
498 
+ATOM    498  H03 GLN A  58      12.648   4.766  -2.176  1.00  0.58           H
499 
+ATOM    499  N   SER A  59      11.685   1.773  -1.611  1.00  0.52           N
500 
+ATOM    500  CA  SER A  59      10.829   0.560  -1.473  1.00  0.52           C
501 
+ATOM    501  C   SER A  59      10.318   0.172  -2.859  1.00  0.44           C
502 
+ATOM    502  O   SER A  59       9.371  -0.576  -3.002  1.00  0.48           O
503 
+ATOM    503  CB  SER A  59       9.639   0.859  -0.562  1.00  0.65           C
504 
+ATOM    504  OG  SER A  59       9.861   0.266   0.709  1.00  1.39           O
505 
+ATOM    505  H01 SER A  59      11.261   2.690  -1.612  1.00  0.52           H
506 
+ATOM    506  N   LYS A  60      10.954   0.675  -3.881  1.00  0.41           N
507 
+ATOM    507  CA  LYS A  60      10.532   0.342  -5.266  1.00  0.42           C
508 
+ATOM    508  C   LYS A  60      11.614  -0.520  -5.922  1.00  0.44           C
509 
+ATOM    509  O   LYS A  60      11.326  -1.436  -6.666  1.00  0.55           O
510 
+ATOM    510  CB  LYS A  60      10.356   1.636  -6.062  1.00  0.51           C
511 
+ATOM    511  CG  LYS A  60       9.518   1.361  -7.311  1.00  1.03           C
512 
+ATOM    512  CD  LYS A  60       9.317   2.665  -8.084  1.00  1.61           C
513 
+ATOM    513  CE  LYS A  60       9.529   2.412  -9.575  1.00  2.36           C
514 
+ATOM    514  NZ  LYS A  60      10.507   3.397 -10.112  1.00  3.11           N1+
515 
+ATOM    515  H01 LYS A  60      11.738   1.294  -3.730  1.00  0.41           H
516 
+ATOM    516  N   GLN A  61      12.860  -0.228  -5.655  1.00  0.51           N
517 
+ATOM    517  CA  GLN A  61      13.963  -1.020  -6.264  1.00  0.62           C
518 
+ATOM    518  C   GLN A  61      14.010  -2.425  -5.651  1.00  0.60           C
519 
+ATOM    519  O   GLN A  61      13.841  -3.416  -6.332  1.00  0.66           O
520 
+ATOM    520  CB  GLN A  61      15.297  -0.315  -6.006  1.00  0.73           C
521 
+ATOM    521  CG  GLN A  61      15.326   1.021  -6.751  1.00  1.14           C
522 
+ATOM    522  CD  GLN A  61      16.704   1.221  -7.385  1.00  1.66           C
523 
+ATOM    523  NE2 GLN A  61      17.024   2.390  -7.868  1.00  2.39           N
524 
+ATOM    524  OE1 GLN A  61      17.499   0.303  -7.440  1.00  2.16           O
525 
+ATOM    525  H01 GLN A  61      13.075   0.538  -5.033  1.00  0.51           H
526 
+ATOM    526  N   LEU A  62      14.264  -2.497  -4.372  1.00  0.64           N
527 
+ATOM    527  CA  LEU A  62      14.358  -3.820  -3.661  1.00  0.71           C
528 
+ATOM    528  C   LEU A  62      13.391  -4.833  -4.276  1.00  0.67           C
529 
+ATOM    529  O   LEU A  62      13.653  -6.019  -4.302  1.00  0.94           O
530 
+ATOM    530  CB  LEU A  62      13.995  -3.678  -2.170  1.00  0.78           C
531 
+ATOM    531  CG  LEU A  62      13.609  -2.241  -1.817  1.00  0.78           C
532 
+ATOM    532  CD1 LEU A  62      12.330  -1.844  -2.561  1.00  0.66           C
533 
+ATOM    533  CD2 LEU A  62      13.367  -2.146  -0.310  1.00  0.94           C
534 
+ATOM    534  H01 LEU A  62      14.401  -1.645  -3.848  1.00  0.64           H
535 
+ATOM    535  N   GLU A  64      11.921  -4.721  -7.629  1.00  0.95           N
536 
+ATOM    536  CA  GLU A  64      11.731  -4.227  -9.035  1.00  1.21           C
537 
+ATOM    537  C   GLU A  64      10.247  -4.117  -9.389  1.00  1.18           C
538 
+ATOM    538  O   GLU A  64       9.570  -5.108  -9.578  1.00  1.53           O
539 
+ATOM    539  CB  GLU A  64      12.403  -5.214  -9.993  1.00  1.55           C
540 
+ATOM    540  CG  GLU A  64      12.903  -4.472 -11.231  1.00  1.91           C
541 
+ATOM    541  CD  GLU A  64      14.052  -5.257 -11.865  1.00  2.44           C
542 
+ATOM    542  OE1 GLU A  64      14.291  -6.373 -11.432  1.00  3.09           O
543 
+ATOM    543  OE2 GLU A  64      14.675  -4.730 -12.771  1.00  2.79           O1-
544 
+ATOM    544  H01 GLU A  64      11.033  -4.719  -7.148  1.00  0.95           H
545 
+ATOM    545  H02 GLU A  64      12.291  -5.660  -7.649  1.00  0.95           H
546 
+ATOM    546  N   ASN A  65       9.732  -2.920  -9.470  1.00  1.70           N
547 
+ATOM    547  CA  ASN A  65       8.289  -2.761  -9.802  1.00  1.68           C
548 
+ATOM    548  C   ASN A  65       7.456  -3.157  -8.582  1.00  0.85           C
549 
+ATOM    549  O   ASN A  65       6.375  -3.697  -8.706  1.00  1.09           O
550 
+ATOM    550  CB  ASN A  65       7.944  -3.685 -10.974  1.00  2.27           C
551 
+ATOM    551  CG  ASN A  65       6.828  -3.063 -11.814  1.00  2.89           C
552 
+ATOM    552  ND2 ASN A  65       5.844  -3.815 -12.224  1.00  3.66           N
553 
+ATOM    553  OD1 ASN A  65       6.854  -1.884 -12.103  1.00  3.24           O
554 
+ATOM    554  H03 ASN A  65      10.309  -2.107  -9.308  1.00  1.70           H
555 
+ATOM    555  N   GLY A  66       7.968  -2.928  -7.401  1.00  0.56           N
556 
+ATOM    556  CA  GLY A  66       7.225  -3.330  -6.177  1.00  1.20           C
557 
+ATOM    557  C   GLY A  66       6.279  -2.227  -5.680  1.00  0.91           C
558 
+ATOM    558  O   GLY A  66       5.073  -2.381  -5.677  1.00  1.26           O
559 
+ATOM    559  H01 GLY A  66       8.869  -2.478  -7.320  1.00  0.56           H
560 
+ATOM    560  N   ALA A  67       6.826  -1.155  -5.185  1.00  0.39           N
561 
+ATOM    561  CA  ALA A  67       5.996  -0.071  -4.590  1.00  0.46           C
562 
+ATOM    562  C   ALA A  67       5.313   0.846  -5.615  1.00  0.34           C
563 
+ATOM    563  O   ALA A  67       4.352   1.513  -5.286  1.00  0.53           O
564 
+ATOM    564  CB  ALA A  67       6.909   0.777  -3.713  1.00  0.64           C
565 
+ATOM    565  H01 ALA A  67       7.831  -1.056  -5.205  1.00  0.39           H
566 
+ATOM    566  N   GLU A  68       5.778   0.935  -6.823  1.00  0.27           N
567 
+ATOM    567  CA  GLU A  68       5.129   1.851  -7.769  1.00  0.38           C
568 
+ATOM    568  C   GLU A  68       3.751   1.292  -8.176  1.00  0.39           C
569 
+ATOM    569  O   GLU A  68       2.884   2.021  -8.617  1.00  0.49           O
570 
+ATOM    570  CB  GLU A  68       6.069   2.020  -8.971  1.00  0.51           C
571 
+ATOM    571  CG  GLU A  68       5.274   2.020 -10.258  1.00  1.38           C
572 
+ATOM    572  CD  GLU A  68       6.148   2.521 -11.410  1.00  1.57           C
573 
+ATOM    573  OE1 GLU A  68       6.989   3.370 -11.165  1.00  1.83           O
574 
+ATOM    574  OE2 GLU A  68       5.961   2.047 -12.518  1.00  2.27           O1-
575 
+ATOM    575  H01 GLU A  68       6.574   0.383  -7.108  1.00  0.27           H
576 
+ATOM    576  N   SER A  69       3.544   0.011  -8.034  1.00  0.39           N
577 
+ATOM    577  CA  SER A  69       2.227  -0.585  -8.417  1.00  0.47           C
578 
+ATOM    578  C   SER A  69       1.196  -0.382  -7.297  1.00  0.37           C
579 
+ATOM    579  O   SER A  69       0.120   0.157  -7.510  1.00  0.35           O
580 
+ATOM    580  CB  SER A  69       2.405  -2.082  -8.669  1.00  0.58           C
581 
+ATOM    581  OG  SER A  69       2.127  -2.366 -10.033  1.00  0.90           O
582 
+ATOM    582  H01 SER A  69       4.275  -0.579  -7.664  1.00  0.39           H
583 
+ATOM    583  N   VAL A  70       1.509  -0.818  -6.106  1.00  0.34           N
584 
+ATOM    584  CA  VAL A  70       0.544  -0.662  -4.984  1.00  0.27           C
585 
+ATOM    585  C   VAL A  70       0.107   0.793  -4.912  1.00  0.20           C
586 
+ATOM    586  O   VAL A  70      -1.057   1.098  -4.748  1.00  0.20           O
587 
+ATOM    587  CB  VAL A  70       1.215  -1.063  -3.671  1.00  0.31           C
588 
+ATOM    588  CG1 VAL A  70       0.288  -0.737  -2.499  1.00  0.29           C
589 
+ATOM    589  CG2 VAL A  70       1.504  -2.565  -3.687  1.00  0.41           C
590 
+ATOM    590  H01 VAL A  70       2.403  -1.260  -5.947  1.00  0.34           H
591 
+ATOM    591  N   LEU A  71       1.033   1.696  -5.048  1.00  0.24           N
592 
+ATOM    592  CA  LEU A  71       0.663   3.134  -5.002  1.00  0.23           C
593 
+ATOM    593  C   LEU A  71      -0.340   3.411  -6.113  1.00  0.23           C
594 
+ATOM    594  O   LEU A  71      -1.335   4.061  -5.909  1.00  0.23           O
595 
+ATOM    595  CB  LEU A  71       1.897   3.996  -5.229  1.00  0.30           C
596 
+ATOM    596  CG  LEU A  71       1.476   5.464  -5.305  1.00  0.35           C
597 
+ATOM    597  CD1 LEU A  71       1.177   5.986  -3.899  1.00  0.36           C
598 
+ATOM    598  CD2 LEU A  71       2.605   6.290  -5.924  1.00  0.43           C
599 
+ATOM    599  H01 LEU A  71       1.996   1.422  -5.184  1.00  0.24           H
600 
+ATOM    600  N   GLN A  72      -0.083   2.914  -7.289  1.00  0.28           N
601 
+ATOM    601  CA  GLN A  72      -1.027   3.138  -8.419  1.00  0.30           C
602 
+ATOM    602  C   GLN A  72      -2.417   2.716  -7.977  1.00  0.25           C
603 
+ATOM    603  O   GLN A  72      -3.408   3.314  -8.334  1.00  0.25           O
604 
+ATOM    604  CB  GLN A  72      -0.583   2.279  -9.617  1.00  0.35           C
605 
+ATOM    605  CG  GLN A  72      -1.789   1.868 -10.473  1.00  1.18           C
606 
+ATOM    606  CD  GLN A  72      -1.304   1.317 -11.813  1.00  1.42           C
607 
+ATOM    607  NE2 GLN A  72      -1.144   0.029 -11.955  1.00  1.97           N
608 
+ATOM    608  OE1 GLN A  72      -1.069   2.064 -12.742  1.00  1.78           O
609 
+ATOM    609  H01 GLN A  72       0.759   2.375  -7.435  1.00  0.28           H
610 
+ATOM    610  N   VAL A  73      -2.487   1.666  -7.230  1.00  0.23           N
611 
+ATOM    611  CA  VAL A  73      -3.797   1.162  -6.774  1.00  0.20           C
612 
+ATOM    612  C   VAL A  73      -4.352   2.055  -5.661  1.00  0.16           C
613 
+ATOM    613  O   VAL A  73      -5.547   2.201  -5.514  1.00  0.16           O
614 
+ATOM    614  CB  VAL A  73      -3.590  -0.254  -6.268  1.00  0.21           C
615 
+ATOM    615  CG1 VAL A  73      -4.840  -0.752  -5.547  1.00  0.20           C
616 
+ATOM    616  CG2 VAL A  73      -3.258  -1.151  -7.468  1.00  0.26           C
617 
+ATOM    617  H01 VAL A  73      -1.641   1.187  -6.956  1.00  0.23           H
618 
+ATOM    618  N   ARG A  75      -3.859   5.334  -5.388  1.00  0.19           N
619 
+ATOM    619  CA  ARG A  75      -4.271   6.610  -6.018  1.00  0.23           C
620 
+ATOM    620  C   ARG A  75      -5.453   6.341  -6.929  1.00  0.24           C
621 
+ATOM    621  O   ARG A  75      -6.368   7.124  -7.030  1.00  0.33           O
622 
+ATOM    622  CB  ARG A  75      -3.119   7.150  -6.851  1.00  0.26           C
623 
+ATOM    623  CG  ARG A  75      -1.995   7.625  -5.930  1.00  0.54           C
624 
+ATOM    624  CD  ARG A  75      -1.790   9.130  -6.107  1.00  1.28           C
625 
+ATOM    625  NE  ARG A  75      -1.186   9.394  -7.445  1.00  1.38           N
626 
+ATOM    626  CZ  ARG A  75      -1.177  10.604  -7.930  1.00  1.76           C
627 
+ATOM    627  H01 ARG A  75      -4.590   5.011  -4.771  1.00  0.19           H
628 
+ATOM    628  H02 ARG A  75      -3.693   4.642  -6.105  1.00  0.19           H
629 
+ATOM    629  N   GLU A  76      -5.429   5.219  -7.581  1.00  0.22           N
630 
+ATOM    630  CA  GLU A  76      -6.544   4.838  -8.482  1.00  0.23           C
631 
+ATOM    631  C   GLU A  76      -7.787   4.692  -7.616  1.00  0.21           C
632 
+ATOM    632  O   GLU A  76      -8.839   5.219  -7.917  1.00  0.23           O
633 
+ATOM    633  CB  GLU A  76      -6.206   3.501  -9.129  1.00  0.24           C
634 
+ATOM    634  CG  GLU A  76      -5.555   3.723 -10.494  1.00  0.30           C
635 
+ATOM    635  CD  GLU A  76      -6.631   4.058 -11.527  1.00  0.89           C
636 
+ATOM    636  OE1 GLU A  76      -7.781   3.734 -11.282  1.00  1.65           O
637 
+ATOM    637  OE2 GLU A  76      -6.286   4.632 -12.547  1.00  1.48           O1-
638 
+ATOM    638  H03 GLU A  76      -4.641   4.597  -7.473  1.00  0.22           H
639 
+ATOM    639  N   ALA A  77      -7.653   4.005  -6.512  1.00  0.18           N
640 
+ATOM    640  CA  ALA A  77      -8.796   3.857  -5.591  1.00  0.17           C
641 
+ATOM    641  C   ALA A  77      -9.143   5.259  -5.113  1.00  0.19           C
642 
+ATOM    642  O   ALA A  77     -10.294   5.632  -5.003  1.00  0.20           O
643 
+ATOM    643  CB  ALA A  77      -8.403   2.975  -4.403  1.00  0.17           C
644 
+ATOM    644  H01 ALA A  77      -6.766   3.575  -6.289  1.00  0.18           H
645 
+ATOM    645  N   LYS A  78      -8.133   6.059  -4.876  1.00  0.21           N
646 
+ATOM    646  CA  LYS A  78      -8.377   7.464  -4.462  1.00  0.24           C
647 
+ATOM    647  C   LYS A  78      -9.200   8.121  -5.560  1.00  0.28           C
648 
+ATOM    648  O   LYS A  78      -9.990   9.016  -5.336  1.00  0.32           O
649 
+ATOM    649  CB  LYS A  78      -7.038   8.187  -4.372  1.00  0.26           C
650 
+ATOM    650  CG  LYS A  78      -7.077   9.218  -3.247  1.00  0.32           C
651 
+ATOM    651  CD  LYS A  78      -7.173  10.619  -3.855  1.00  0.70           C
652 
+ATOM    652  CE  LYS A  78      -7.216  11.663  -2.738  1.00  0.99           C
653 
+ATOM    653  NZ  LYS A  78      -6.353  12.821  -3.109  1.00  1.50           N1+
654 
+ATOM    654  H01 LYS A  78      -7.187   5.720  -4.975  1.00  0.21           H
655 
+ATOM    655  N   ALA A  79      -8.984   7.664  -6.756  1.00  0.28           N
656 
+ATOM    656  CA  ALA A  79      -9.690   8.204  -7.933  1.00  0.33           C
657 
+ATOM    657  C   ALA A  79     -11.110   7.645  -7.972  1.00  0.32           C
658 
+ATOM    658  O   ALA A  79     -12.027   8.262  -8.477  1.00  0.38           O
659 
+ATOM    659  CB  ALA A  79      -8.920   7.757  -9.173  1.00  0.35           C
660 
+ATOM    660  H01 ALA A  79      -8.314   6.919  -6.884  1.00  0.28           H
661 
+ATOM    661  N   GLU A  80     -11.285   6.472  -7.440  1.00  0.28           N
662 
+ATOM    662  CA  GLU A  80     -12.620   5.829  -7.425  1.00  0.29           C
663 
+ATOM    663  C   GLU A  80     -13.585   6.626  -6.544  1.00  0.37           C
664 
+ATOM    664  O   GLU A  80     -14.762   6.332  -6.476  1.00  0.68           O
665 
+ATOM    665  CB  GLU A  80     -12.466   4.417  -6.865  1.00  0.32           C
666 
+ATOM    666  CG  GLU A  80     -12.076   3.469  -7.995  1.00  0.45           C
667 
+ATOM    667  CD  GLU A  80     -13.336   2.876  -8.627  1.00  0.67           C
668 
+ATOM    668  OE1 GLU A  80     -13.927   3.543  -9.460  1.00  1.40           O
669 
+ATOM    669  OE2 GLU A  80     -13.688   1.764  -8.269  1.00  1.30           O1-
670 
+ATOM    670  H01 GLU A  80     -10.498   5.991  -7.030  1.00  0.28           H
671 
+ATOM    671  N   GLY A  81     -13.098   7.621  -5.858  1.00  0.39           N
672 
+ATOM    672  CA  GLY A  81     -13.987   8.421  -4.973  1.00  0.45           C
673 
+ATOM    673  C   GLY A  81     -13.572   8.186  -3.522  1.00  0.39           C
674 
+ATOM    674  O   GLY A  81     -13.963   8.908  -2.626  1.00  0.45           O
675 
+ATOM    675  H01 GLY A  81     -12.117   7.849  -5.927  1.00  0.39           H
676 
+ATOM    676  N   CYS A  82     -12.776   7.179  -3.288  1.00  0.41           N
677 
+ATOM    677  CA  CYS A  82     -12.322   6.888  -1.905  1.00  0.38           C
678 
+ATOM    678  C   CYS A  82     -11.476   8.057  -1.395  1.00  0.38           C
679 
+ATOM    679  O   CYS A  82     -10.977   8.854  -2.164  1.00  0.49           O
680 
+ATOM    680  CB  CYS A  82     -11.480   5.614  -1.920  1.00  0.39           C
681 
+ATOM    681  SG  CYS A  82     -12.566   4.168  -1.820  1.00  0.63           S
682 
+ATOM    682  H01 CYS A  82     -12.467   6.595  -4.052  1.00  0.41           H
683 
+ATOM    683  N   ASP A  83     -11.316   8.173  -0.105  1.00  0.32           N
684 
+ATOM    684  CA  ASP A  83     -10.510   9.298   0.444  1.00  0.37           C
685 
+ATOM    685  C   ASP A  83      -9.188   8.769   1.009  1.00  0.36           C
686 
+ATOM    686  O   ASP A  83      -8.935   8.844   2.195  1.00  0.57           O
687 
+ATOM    687  CB  ASP A  83     -11.305   9.984   1.553  1.00  0.42           C
688 
+ATOM    688  CG  ASP A  83     -10.709  11.364   1.834  1.00  0.53           C
689 
+ATOM    689  OD1 ASP A  83      -9.782  11.437   2.624  1.00  1.11           O
690 
+ATOM    690  OD2 ASP A  83     -11.191  12.324   1.255  1.00  1.30           O1-
691 
+ATOM    691  H01 ASP A  83     -11.738   7.501   0.520  1.00  0.32           H
692 
+ATOM    692  N   ILE A  84      -8.339   8.244   0.168  1.00  0.33           N
693 
+ATOM    693  CA  ILE A  84      -7.028   7.720   0.652  1.00  0.31           C
694 
+ATOM    694  C   ILE A  84      -5.965   8.818   0.503  1.00  0.34           C
695 
+ATOM    695  O   ILE A  84      -5.289   8.905  -0.503  1.00  0.67           O
696 
+ATOM    696  CB  ILE A  84      -6.622   6.513  -0.191  1.00  0.30           C
697 
+ATOM    697  CG1 ILE A  84      -7.546   5.345   0.117  1.00  0.50           C
698 
+ATOM    698  CG2 ILE A  84      -5.182   6.114   0.131  1.00  0.28           C
699 
+ATOM    699  CD1 ILE A  84      -8.049   4.762  -1.198  1.00  0.34           C
700 
+ATOM    700  H01 ILE A  84      -8.570   8.192  -0.814  1.00  0.33           H
701 
+ATOM    701  N   ILE A  86      -3.051  10.211  -0.200  1.00  0.41           N
702 
+ATOM    702  CA  ILE A  86      -1.727   9.654  -0.602  1.00  0.40           C
703 
+ATOM    703  C   ILE A  86      -0.610  10.583  -0.118  1.00  0.44           C
704 
+ATOM    704  O   ILE A  86      -0.489  11.706  -0.564  1.00  0.59           O
705 
+ATOM    705  CB  ILE A  86      -1.665   9.540  -2.126  1.00  0.38           C
706 
+ATOM    706  CG1 ILE A  86      -2.821   8.668  -2.620  1.00  0.74           C
707 
+ATOM    707  CG2 ILE A  86      -0.331   8.915  -2.540  1.00  0.93           C
708 
+ATOM    708  CD1 ILE A  86      -2.613   7.223  -2.166  1.00  0.32           C
709 
+ATOM    709  H01 ILE A  86      -2.989  10.585   0.736  1.00  0.41           H
710 
+ATOM    710  H02 ILE A  86      -3.316  10.946  -0.840  1.00  0.41           H
711 
+ATOM    711  N   ILE A  87       0.212  10.123   0.786  1.00  0.39           N
712 
+ATOM    712  CA  ILE A  87       1.322  10.982   1.287  1.00  0.44           C
713 
+ATOM    713  C   ILE A  87       2.659  10.368   0.860  1.00  0.44           C
714 
+ATOM    714  O   ILE A  87       3.132   9.413   1.442  1.00  0.55           O
715 
+ATOM    715  CB  ILE A  87       1.247  11.073   2.813  1.00  0.46           C
716 
+ATOM    716  CG1 ILE A  87       0.091  11.995   3.208  1.00  0.57           C
717 
+ATOM    717  CG2 ILE A  87       2.556  11.640   3.362  1.00  0.55           C
718 
+ATOM    718  CD1 ILE A  87      -0.237  11.800   4.689  1.00  0.61           C
719 
+ATOM    719  H03 ILE A  87       0.096   9.186   1.145  1.00  0.39           H
720 
+ATOM    720  N   LEU A  88       3.259  10.902  -0.170  1.00  0.50           N
721 
+ATOM    721  CA  LEU A  88       4.552  10.348  -0.662  1.00  0.52           C
722 
+ATOM    722  C   LEU A  88       5.728  11.146  -0.093  1.00  0.56           C
723 
+ATOM    723  O   LEU A  88       5.984  12.263  -0.495  1.00  0.80           O
724 
+ATOM    724  CB  LEU A  88       4.558  10.413  -2.173  1.00  0.59           C
725 
+ATOM    725  CG  LEU A  88       3.653   9.297  -2.669  1.00  0.82           C
726 
+ATOM    726  CD1 LEU A  88       2.691   9.851  -3.697  1.00  0.94           C
727 
+ATOM    727  CD2 LEU A  88       4.496   8.193  -3.286  1.00  1.57           C
728 
+ATOM    728  H01 LEU A  88       2.844  11.696  -0.636  1.00  0.50           H
729 
+ATOM    729  N   SER A  89       6.445  10.581   0.841  1.00  0.55           N
730 
+ATOM    730  CA  SER A  89       7.604  11.308   1.435  1.00  0.62           C
731 
+ATOM    731  C   SER A  89       8.908  10.659   0.968  1.00  0.85           C
732 
+ATOM    732  O   SER A  89       8.935   9.445   0.852  1.00  1.41           O
733 
+ATOM    733  CB  SER A  89       7.520  11.241   2.961  1.00  0.87           C
734 
+ATOM    734  OG  SER A  89       7.246  12.538   3.473  1.00  1.64           O
735 
+ATOM    735  OXT SER A  89       9.859  11.388   0.735  1.00  1.52           O1-
736 
+ATOM    736  H01 SER A  89       6.215   9.651   1.161  1.00  0.55           H
737 
+TER
738 
+END

+ 810 - 0
data/old2.pdb View File

1 
+ATOM      1  N   LYS A   1      -8.655   5.770   8.371  1.00  1.40           N
2 
+ATOM      2  CA  LYS A   1      -7.542   5.187   9.163  1.00  0.52           C
3 
+ATOM      3  C   LYS A   1      -6.210   5.619   8.561  1.00  0.39           C
4 
+ATOM      4  O   LYS A   1      -6.156   6.468   7.693  1.00  0.33           O
5 
+ATOM      5  CB  LYS A   1      -7.641   3.666   9.159  1.00  1.53           C
6 
+ATOM      6  CG  LYS A   1      -7.750   3.179  10.602  1.00  2.38           C
7 
+ATOM      7  CD  LYS A   1      -9.158   3.466  11.126  1.00  3.11           C
8 
+ATOM      8  CE  LYS A   1      -9.145   4.744  11.965  1.00  3.58           C
9 
+ATOM      9  NZ  LYS A   1      -9.497   4.416  13.375  1.00  4.21           N1+
10 
+ATOM     10  H01 LYS A   1      -8.337   6.612   7.912  1.00  1.40           H
11 
+ATOM     11  H02 LYS A   1      -8.961   5.103   7.677  1.00  1.40           H
12 
+ATOM     12  N   LYS A   2      -5.128   5.066   9.028  1.00  0.51           N
13 
+ATOM     13  CA  LYS A   2      -3.813   5.485   8.490  1.00  0.44           C
14 
+ATOM     14  C   LYS A   2      -2.931   4.277   8.172  1.00  0.41           C
15 
+ATOM     15  O   LYS A   2      -3.040   3.218   8.757  1.00  0.58           O
16 
+ATOM     16  CB  LYS A   2      -3.138   6.383   9.534  1.00  0.63           C
17 
+ATOM     17  CG  LYS A   2      -1.624   6.134   9.604  1.00  1.04           C
18 
+ATOM     18  CD  LYS A   2      -0.967   7.224  10.453  1.00  0.93           C
19 
+ATOM     19  CE  LYS A   2       0.116   7.929   9.634  1.00  0.63           C
20 
+ATOM     20  NZ  LYS A   2       1.057   8.630  10.551  1.00  1.43           N1+
21 
+ATOM     21  H03 LYS A   2      -5.184   4.360   9.748  1.00  0.51           H
22 
+ATOM     22  N   ALA A   3      -2.040   4.474   7.250  1.00  0.27           N
23 
+ATOM     23  CA  ALA A   3      -1.086   3.403   6.848  1.00  0.30           C
24 
+ATOM     24  C   ALA A   3       0.316   4.013   6.751  1.00  0.30           C
25 
+ATOM     25  O   ALA A   3       0.469   5.207   6.586  1.00  0.54           O
26 
+ATOM     26  CB  ALA A   3      -1.491   2.834   5.486  1.00  0.34           C
27 
+ATOM     27  H01 ALA A   3      -1.992   5.374   6.794  1.00  0.27           H
28 
+ATOM     28  N   VAL A   4       1.342   3.214   6.860  1.00  0.30           N
29 
+ATOM     29  CA  VAL A   4       2.725   3.769   6.780  1.00  0.27           C
30 
+ATOM     30  C   VAL A   4       3.643   2.773   6.074  1.00  0.26           C
31 
+ATOM     31  O   VAL A   4       3.842   1.667   6.535  1.00  0.33           O
32 
+ATOM     32  CB  VAL A   4       3.250   4.021   8.194  1.00  0.30           C
33 
+ATOM     33  CG1 VAL A   4       4.617   4.709   8.122  1.00  0.35           C
34 
+ATOM     34  CG2 VAL A   4       2.262   4.915   8.946  1.00  0.35           C
35 
+ATOM     35  H01 VAL A   4       1.201   2.224   6.998  1.00  0.30           H
36 
+ATOM     36  N   ILE A   5       4.210   3.153   4.961  1.00  0.23           N
37 
+ATOM     37  CA  ILE A   5       5.117   2.213   4.245  1.00  0.23           C
38 
+ATOM     38  C   ILE A   5       6.570   2.567   4.552  1.00  0.25           C
39 
+ATOM     39  O   ILE A   5       7.176   3.388   3.893  1.00  0.27           O
40 
+ATOM     40  CB  ILE A   5       4.879   2.300   2.742  1.00  0.23           C
41 
+ATOM     41  CG1 ILE A   5       3.360   2.231   2.478  1.00  0.23           C
42 
+ATOM     42  CG2 ILE A   5       5.620   1.142   2.061  1.00  0.24           C
43 
+ATOM     43  CD1 ILE A   5       3.034   1.246   1.346  1.00  0.22           C
44 
+ATOM     44  H01 ILE A   5       4.035   4.076   4.589  1.00  0.23           H
45 
+ATOM     45  N   ASN A   6       7.134   1.947   5.547  1.00  0.27           N
46 
+ATOM     46  CA  ASN A   6       8.545   2.232   5.905  1.00  0.31           C
47 
+ATOM     47  C   ASN A   6       9.466   1.399   5.009  1.00  0.31           C
48 
+ATOM     48  O   ASN A   6       9.611   0.207   5.189  1.00  0.35           O
49 
+ATOM     49  CB  ASN A   6       8.759   1.859   7.370  1.00  0.37           C
50 
+ATOM     50  CG  ASN A   6       8.067   2.890   8.264  1.00  0.65           C
51 
+ATOM     51  ND2 ASN A   6       8.054   2.711   9.557  1.00  1.13           N
52 
+ATOM     52  OD1 ASN A   6       7.534   3.869   7.782  1.00  1.48           O
53 
+ATOM     53  H01 ASN A   6       6.608   1.268   6.079  1.00  0.27           H
54 
+ATOM     54  N   GLY A   7      10.078   2.017   4.035  1.00  0.33           N
55 
+ATOM     55  CA  GLY A   7      10.976   1.261   3.114  1.00  0.36           C
56 
+ATOM     56  C   GLY A   7      12.182   0.718   3.879  1.00  0.35           C
57 
+ATOM     57  O   GLY A   7      12.583  -0.414   3.694  1.00  0.46           O
58 
+ATOM     58  H01 GLY A   7       9.943   3.009   3.905  1.00  0.33           H
59 
+ATOM     59  N   GLU A   8      12.767   1.509   4.735  1.00  0.38           N
60 
+ATOM     60  CA  GLU A   8      13.946   1.022   5.505  1.00  0.43           C
61 
+ATOM     61  C   GLU A   8      13.659  -0.390   6.019  1.00  0.39           C
62 
+ATOM     62  O   GLU A   8      14.559  -1.170   6.260  1.00  0.45           O
63 
+ATOM     63  CB  GLU A   8      14.207   1.950   6.696  1.00  0.53           C
64 
+ATOM     64  CG  GLU A   8      14.064   3.409   6.256  1.00  1.39           C
65 
+ATOM     65  CD  GLU A   8      14.660   4.324   7.328  1.00  1.74           C
66 
+ATOM     66  OE1 GLU A   8      14.225   4.232   8.464  1.00  2.30           O
67 
+ATOM     67  OE2 GLU A   8      15.540   5.100   6.994  1.00  2.19           O1-
68 
+ATOM     68  H01 GLU A   8      12.422   2.448   4.875  1.00  0.38           H
69 
+ATOM     69  N   GLN A   9      12.408  -0.720   6.195  1.00  0.35           N
70 
+ATOM     70  CA  GLN A   9      12.051  -2.069   6.699  1.00  0.38           C
71 
+ATOM     71  C   GLN A   9      11.745  -3.001   5.523  1.00  0.35           C
72 
+ATOM     72  O   GLN A   9      12.213  -4.121   5.468  1.00  0.40           O
73 
+ATOM     73  CB  GLN A   9      10.811  -1.937   7.578  1.00  0.43           C
74 
+ATOM     74  CG  GLN A   9      11.027  -0.819   8.600  1.00  0.50           C
75 
+ATOM     75  CD  GLN A   9      11.790  -1.365   9.805  1.00  1.06           C
76 
+ATOM     76  NE2 GLN A   9      11.151  -2.059  10.705  1.00  1.49           N
77 
+ATOM     77  OE1 GLN A   9      12.979  -1.155   9.931  1.00  1.97           O
78 
+ATOM     78  H01 GLN A   9      11.679  -0.053   5.987  1.00  0.35           H
79 
+ATOM     79  N   ILE A  10      10.952  -2.550   4.591  1.00  0.32           N
80 
+ATOM     80  CA  ILE A  10      10.597  -3.408   3.424  1.00  0.34           C
81 
+ATOM     81  C   ILE A  10      11.825  -4.171   2.934  1.00  0.31           C
82 
+ATOM     82  O   ILE A  10      12.893  -3.617   2.765  1.00  0.35           O
83 
+ATOM     83  CB  ILE A  10      10.059  -2.546   2.281  1.00  0.37           C
84 
+ATOM     84  CG1 ILE A  10       8.683  -2.005   2.655  1.00  0.51           C
85 
+ATOM     85  CG2 ILE A  10       9.933  -3.402   1.018  1.00  0.35           C
86 
+ATOM     86  CD1 ILE A  10       7.689  -3.158   2.715  1.00  0.78           C
87 
+ATOM     87  H01 ILE A  10      10.576  -1.615   4.660  1.00  0.32           H
88 
+ATOM     88  N   ARG A  11      11.668  -5.440   2.692  1.00  0.33           N
89 
+ATOM     89  CA  ARG A  11      12.794  -6.261   2.200  1.00  0.37           C
90 
+ATOM     90  C   ARG A  11      12.423  -6.834   0.830  1.00  0.39           C
91 
+ATOM     91  O   ARG A  11      13.251  -7.368   0.120  1.00  0.48           O
92 
+ATOM     92  CB  ARG A  11      13.035  -7.400   3.184  1.00  0.50           C
93 
+ATOM     93  CG  ARG A  11      13.677  -6.844   4.458  1.00  0.57           C
94 
+ATOM     94  CD  ARG A  11      15.105  -7.376   4.589  1.00  1.27           C
95 
+ATOM     95  NE  ARG A  11      15.489  -7.404   6.030  1.00  1.87           N
96 
+ATOM     96  CZ  ARG A  11      16.544  -8.065   6.417  1.00  2.53           C
97 
+ATOM     97  NH1 ARG A  11      16.881  -9.170   5.815  1.00  3.26           N1+
98 
+ATOM     98  NH2 ARG A  11      17.261  -7.620   7.412  1.00  2.99           N
99 
+ATOM     99  H01 ARG A  11      10.766  -5.869   2.842  1.00  0.33           H
100 
+ATOM    100  N   SER A  12      11.174  -6.725   0.458  1.00  0.37           N
101 
+ATOM    101  CA  SER A  12      10.732  -7.258  -0.860  1.00  0.45           C
102 
+ATOM    102  C   SER A  12       9.270  -6.869  -1.096  1.00  0.42           C
103 
+ATOM    103  O   SER A  12       8.619  -6.289  -0.242  1.00  0.37           O
104 
+ATOM    104  CB  SER A  12      10.862  -8.781  -0.865  1.00  0.56           C
105 
+ATOM    105  OG  SER A  12      11.282  -9.221   0.419  1.00  1.44           O
106 
+ATOM    106  H01 SER A  12      10.506  -6.277   1.068  1.00  0.37           H
107 
+ATOM    107  N   ILE A  13       8.741  -7.185  -2.245  1.00  0.47           N
108 
+ATOM    108  CA  ILE A  13       7.324  -6.831  -2.520  1.00  0.46           C
109 
+ATOM    109  C   ILE A  13       6.445  -7.446  -1.435  1.00  0.41           C
110 
+ATOM    110  O   ILE A  13       5.579  -6.799  -0.887  1.00  0.36           O
111 
+ATOM    111  CB  ILE A  13       6.908  -7.370  -3.892  1.00  0.56           C
112 
+ATOM    112  CG1 ILE A  13       5.570  -6.749  -4.313  1.00  0.63           C
113 
+ATOM    113  CG2 ILE A  13       6.753  -8.888  -3.812  1.00  0.64           C
114 
+ATOM    114  CD1 ILE A  13       5.564  -5.246  -4.010  1.00  0.57           C
115 
+ATOM    115  H01 ILE A  13       9.290  -7.667  -2.943  1.00  0.47           H
116 
+ATOM    116  N   SER A  14       6.669  -8.690  -1.109  1.00  0.46           N
117 
+ATOM    117  CA  SER A  14       5.851  -9.332  -0.047  1.00  0.44           C
118 
+ATOM    118  C   SER A  14       5.859  -8.424   1.179  1.00  0.37           C
119 
+ATOM    119  O   SER A  14       4.837  -8.162   1.781  1.00  0.35           O
120 
+ATOM    120  CB  SER A  14       6.453 -10.689   0.312  1.00  0.50           C
121 
+ATOM    121  OG  SER A  14       5.481 -11.469   0.996  1.00  1.07           O
122 
+ATOM    122  H01 SER A  14       7.395  -9.214  -1.576  1.00  0.46           H
123 
+ATOM    123  N   ASP A  15       7.009  -7.928   1.541  1.00  0.34           N
124 
+ATOM    124  CA  ASP A  15       7.097  -7.021   2.709  1.00  0.30           C
125 
+ATOM    125  C   ASP A  15       6.187  -5.819   2.475  1.00  0.24           C
126 
+ATOM    126  O   ASP A  15       5.470  -5.386   3.353  1.00  0.23           O
127 
+ATOM    127  CB  ASP A  15       8.536  -6.538   2.871  1.00  0.30           C
128 
+ATOM    128  CG  ASP A  15       9.056  -6.939   4.254  1.00  0.33           C
129 
+ATOM    129  OD1 ASP A  15       8.483  -7.843   4.840  1.00  1.17           O
130 
+ATOM    130  OD2 ASP A  15      10.015  -6.335   4.705  1.00  1.08           O1-
131 
+ATOM    131  H01 ASP A  15       7.844  -8.163   1.023  1.00  0.34           H
132 
+ATOM    132  N   LEU A  16       6.211  -5.283   1.288  1.00  0.25           N
133 
+ATOM    133  CA  LEU A  16       5.347  -4.111   0.980  1.00  0.23           C
134 
+ATOM    134  C   LEU A  16       3.898  -4.464   1.298  1.00  0.22           C
135 
+ATOM    135  O   LEU A  16       3.233  -3.804   2.073  1.00  0.21           O
136 
+ATOM    136  CB  LEU A  16       5.470  -3.779  -0.505  1.00  0.28           C
137 
+ATOM    137  CG  LEU A  16       4.802  -2.436  -0.784  1.00  0.31           C
138 
+ATOM    138  CD1 LEU A  16       5.341  -1.386   0.188  1.00  0.31           C
139 
+ATOM    139  CD2 LEU A  16       5.110  -2.013  -2.219  1.00  0.39           C
140 
+ATOM    140  H01 LEU A  16       6.817  -5.664   0.575  1.00  0.25           H
141 
+ATOM    141  N   HIS A  17       3.413  -5.509   0.701  1.00  0.22           N
142 
+ATOM    142  CA  HIS A  17       2.018  -5.941   0.944  1.00  0.22           C
143 
+ATOM    143  C   HIS A  17       1.874  -6.363   2.405  1.00  0.19           C
144 
+ATOM    144  O   HIS A  17       0.786  -6.432   2.941  1.00  0.19           O
145 
+ATOM    145  CB  HIS A  17       1.715  -7.120   0.024  1.00  0.26           C
146 
+ATOM    146  CG  HIS A  17       1.994  -6.716  -1.397  1.00  0.32           C
147 
+ATOM    147  CD2 HIS A  17       2.895  -7.181  -2.324  1.00  0.40           C
148 
+ATOM    148  ND1 HIS A  17       1.294  -5.699  -2.026  1.00  0.38           N
149 
+ATOM    149  CE1 HIS A  17       1.779  -5.586  -3.276  1.00  0.44           C
150 
+ATOM    150  NE2 HIS A  17       2.756  -6.465  -3.510  1.00  0.45           N
151 
+ATOM    151  H01 HIS A  17       3.994  -6.034   0.063  1.00  0.22           H
152 
+ATOM    152  N   GLN A  18       2.969  -6.639   3.055  1.00  0.19           N
153 
+ATOM    153  CA  GLN A  18       2.905  -7.047   4.475  1.00  0.19           C
154 
+ATOM    154  C   GLN A  18       2.501  -5.844   5.322  1.00  0.17           C
155 
+ATOM    155  O   GLN A  18       1.541  -5.888   6.067  1.00  0.18           O
156 
+ATOM    156  CB  GLN A  18       4.275  -7.553   4.927  1.00  0.21           C
157 
+ATOM    157  CG  GLN A  18       4.092  -8.654   5.975  1.00  0.55           C
158 
+ATOM    158  CD  GLN A  18       5.461  -9.139   6.452  1.00  1.31           C
159 
+ATOM    159  NE2 GLN A  18       5.626 -10.399   6.749  1.00  2.02           N
160 
+ATOM    160  OE1 GLN A  18       6.390  -8.363   6.557  1.00  2.11           O
161 
+ATOM    161  H01 GLN A  18       3.862  -6.574   2.589  1.00  0.19           H
162 
+ATOM    162  N   THR A  19       3.229  -4.764   5.217  1.00  0.17           N
163 
+ATOM    163  CA  THR A  19       2.882  -3.573   6.019  1.00  0.17           C
164 
+ATOM    164  C   THR A  19       1.519  -3.063   5.542  1.00  0.17           C
165 
+ATOM    165  O   THR A  19       0.682  -2.691   6.328  1.00  0.18           O
166 
+ATOM    166  CB  THR A  19       3.976  -2.492   5.860  1.00  0.20           C
167 
+ATOM    167  CG2 THR A  19       3.371  -1.165   5.396  1.00  0.21           C
168 
+ATOM    168  OG1 THR A  19       4.593  -2.276   7.121  1.00  0.22           O
169 
+ATOM    169  H01 THR A  19       4.023  -4.744   4.593  1.00  0.17           H
170 
+ATOM    170  N   LEU A  20       1.286  -3.056   4.258  1.00  0.16           N
171 
+ATOM    171  CA  LEU A  20      -0.022  -2.590   3.751  1.00  0.18           C
172 
+ATOM    172  C   LEU A  20      -1.104  -3.472   4.365  1.00  0.17           C
173 
+ATOM    173  O   LEU A  20      -2.183  -3.040   4.683  1.00  0.24           O
174 
+ATOM    174  CB  LEU A  20      -0.050  -2.738   2.232  1.00  0.19           C
175 
+ATOM    175  CG  LEU A  20       0.878  -1.705   1.588  1.00  0.20           C
176 
+ATOM    176  CD1 LEU A  20       0.822  -1.851   0.068  1.00  0.23           C
177 
+ATOM    177  CD2 LEU A  20       0.434  -0.292   1.981  1.00  0.21           C
178 
+ATOM    178  H01 LEU A  20       1.997  -3.368   3.612  1.00  0.16           H
179 
+ATOM    179  N   LYS A  21      -0.794  -4.716   4.530  1.00  0.16           N
180 
+ATOM    180  CA  LYS A  21      -1.760  -5.680   5.122  1.00  0.16           C
181 
+ATOM    181  C   LYS A  21      -2.011  -5.324   6.586  1.00  0.17           C
182 
+ATOM    182  O   LYS A  21      -3.123  -5.365   7.059  1.00  0.19           O
183 
+ATOM    183  CB  LYS A  21      -1.173  -7.088   5.035  1.00  0.17           C
184 
+ATOM    184  CG  LYS A  21      -2.174  -8.100   5.593  1.00  0.29           C
185 
+ATOM    185  CD  LYS A  21      -1.414  -9.229   6.292  1.00  0.68           C
186 
+ATOM    186  CE  LYS A  21      -2.407 -10.255   6.837  1.00  1.26           C
187 
+ATOM    187  NZ  LYS A  21      -1.733 -11.101   7.860  1.00  1.94           N1+
188 
+ATOM    188  H01 LYS A  21       0.121  -5.040   4.252  1.00  0.16           H
189 
+ATOM    189  N   LYS A  22      -0.991  -4.980   7.317  1.00  0.18           N
190 
+ATOM    190  CA  LYS A  22      -1.204  -4.631   8.741  1.00  0.20           C
191 
+ATOM    191  C   LYS A  22      -2.006  -3.335   8.817  1.00  0.23           C
192 
+ATOM    192  O   LYS A  22      -3.074  -3.277   9.390  1.00  0.29           O
193 
+ATOM    193  CB  LYS A  22       0.142  -4.442   9.432  1.00  0.22           C
194 
+ATOM    194  CG  LYS A  22       0.148  -5.278  10.717  1.00  0.83           C
195 
+ATOM    195  CD  LYS A  22       1.553  -5.339  11.302  1.00  1.43           C
196 
+ATOM    196  CE  LYS A  22       1.494  -6.033  12.671  1.00  2.18           C
197 
+ATOM    197  NZ  LYS A  22       2.827  -6.602  13.001  1.00  2.84           N1+
198 
+ATOM    198  H01 LYS A  22      -0.064  -4.951   6.918  1.00  0.18           H
199 
+ATOM    199  N   GLU A  23      -1.495  -2.303   8.219  1.00  0.22           N
200 
+ATOM    200  CA  GLU A  23      -2.195  -1.004   8.212  1.00  0.26           C
201 
+ATOM    201  C   GLU A  23      -3.621  -1.224   7.716  1.00  0.24           C
202 
+ATOM    202  O   GLU A  23      -4.587  -1.066   8.436  1.00  0.27           O
203 
+ATOM    203  CB  GLU A  23      -1.450  -0.080   7.250  1.00  0.29           C
204 
+ATOM    204  CG  GLU A  23      -0.006   0.098   7.725  1.00  0.35           C
205 
+ATOM    205  CD  GLU A  23       0.032   1.057   8.914  1.00  1.53           C
206 
+ATOM    206  OE1 GLU A  23      -1.026   1.364   9.438  1.00  2.29           O
207 
+ATOM    207  OE2 GLU A  23       1.120   1.471   9.280  1.00  2.27           O1-
208 
+ATOM    208  H01 GLU A  23      -0.604  -2.390   7.751  1.00  0.22           H
209 
+ATOM    209  N   LEU A  24      -3.737  -1.599   6.480  1.00  0.23           N
210 
+ATOM    210  CA  LEU A  24      -5.066  -1.859   5.871  1.00  0.23           C
211 
+ATOM    211  C   LEU A  24      -5.767  -2.996   6.618  1.00  0.22           C
212 
+ATOM    212  O   LEU A  24      -6.953  -3.209   6.467  1.00  0.24           O
213 
+ATOM    213  CB  LEU A  24      -4.848  -2.277   4.418  1.00  0.21           C
214 
+ATOM    214  CG  LEU A  24      -4.150  -1.150   3.658  1.00  0.25           C
215 
+ATOM    215  CD1 LEU A  24      -3.120  -1.750   2.701  1.00  0.20           C
216 
+ATOM    216  CD2 LEU A  24      -5.184  -0.352   2.862  1.00  0.40           C
217 
+ATOM    217  H01 LEU A  24      -2.905  -1.717   5.919  1.00  0.23           H
218 
+ATOM    218  N   ALA A  25      -5.043  -3.736   7.416  1.00  0.21           N
219 
+ATOM    219  CA  ALA A  25      -5.667  -4.860   8.158  1.00  0.22           C
220 
+ATOM    220  C   ALA A  25      -6.369  -5.796   7.170  1.00  0.21           C
221 
+ATOM    221  O   ALA A  25      -7.501  -6.191   7.366  1.00  0.23           O
222 
+ATOM    222  CB  ALA A  25      -6.670  -4.292   9.152  1.00  0.26           C
223 
+ATOM    223  H01 ALA A  25      -4.058  -3.543   7.528  1.00  0.21           H
224 
+ATOM    224  N   LEU A  26      -5.693  -6.152   6.112  1.00  0.21           N
225 
+ATOM    225  CA  LEU A  26      -6.293  -7.062   5.095  1.00  0.24           C
226 
+ATOM    226  C   LEU A  26      -6.438  -8.468   5.690  1.00  0.28           C
227 
+ATOM    227  O   LEU A  26      -5.795  -8.792   6.669  1.00  0.30           O
228 
+ATOM    228  CB  LEU A  26      -5.371  -7.117   3.872  1.00  0.23           C
229 
+ATOM    229  CG  LEU A  26      -4.954  -5.697   3.483  1.00  0.21           C
230 
+ATOM    230  CD1 LEU A  26      -3.954  -5.751   2.337  1.00  0.26           C
231 
+ATOM    231  CD2 LEU A  26      -6.187  -4.909   3.043  1.00  0.23           C
232 
+ATOM    232  H01 LEU A  26      -4.753  -5.807   5.981  1.00  0.21           H
233 
+ATOM    233  N   PRO A  27      -7.280  -9.262   5.077  1.00  0.34           N
234 
+ATOM    234  CA  PRO A  27      -7.526 -10.643   5.529  1.00  0.41           C
235 
+ATOM    235  C   PRO A  27      -6.221 -11.438   5.555  1.00  0.39           C
236 
+ATOM    236  O   PRO A  27      -5.165 -10.932   5.233  1.00  0.31           O
237 
+ATOM    237  CB  PRO A  27      -8.489 -11.230   4.490  1.00  0.48           C
238 
+ATOM    238  CG  PRO A  27      -8.880 -10.091   3.514  1.00  0.48           C
239 
+ATOM    239  CD  PRO A  27      -8.054  -8.852   3.890  1.00  0.38           C
240 
+ATOM    240  N   GLU A  28      -6.289 -12.685   5.931  1.00  0.50           N
241 
+ATOM    241  CA  GLU A  28      -5.058 -13.519   5.972  1.00  0.53           C
242 
+ATOM    242  C   GLU A  28      -4.729 -13.997   4.558  1.00  0.49           C
243 
+ATOM    243  O   GLU A  28      -3.622 -14.407   4.273  1.00  0.51           O
244 
+ATOM    244  CB  GLU A  28      -5.295 -14.732   6.871  1.00  0.67           C
245 
+ATOM    245  CG  GLU A  28      -5.557 -14.268   8.305  1.00  1.14           C
246 
+ATOM    246  CD  GLU A  28      -5.237 -15.405   9.276  1.00  1.65           C
247 
+ATOM    247  OE1 GLU A  28      -4.380 -16.210   8.953  1.00  2.31           O
248 
+ATOM    248  OE2 GLU A  28      -5.856 -15.452  10.327  1.00  2.20           O1-
249 
+ATOM    249  H01 GLU A  28      -7.178 -13.085   6.195  1.00  0.50           H
250 
+ATOM    250  N   TYR A  29      -5.686 -13.952   3.671  1.00  0.47           N
251 
+ATOM    251  CA  TYR A  29      -5.426 -14.409   2.279  1.00  0.44           C
252 
+ATOM    252  C   TYR A  29      -5.020 -13.218   1.409  1.00  0.37           C
253 
+ATOM    253  O   TYR A  29      -4.999 -13.312   0.198  1.00  0.38           O
254 
+ATOM    254  CB  TYR A  29      -6.686 -15.061   1.704  1.00  0.51           C
255 
+ATOM    255  CG  TYR A  29      -7.900 -14.250   2.087  1.00  0.66           C
256 
+ATOM    256  CD1 TYR A  29      -8.300 -13.171   1.290  1.00  1.29           C
257 
+ATOM    257  CD2 TYR A  29      -8.627 -14.579   3.237  1.00  1.53           C
258 
+ATOM    258  CE1 TYR A  29      -9.428 -12.421   1.643  1.00  1.43           C
259 
+ATOM    259  CE2 TYR A  29      -9.756 -13.829   3.590  1.00  1.75           C
260 
+ATOM    260  CZ  TYR A  29     -10.156 -12.750   2.793  1.00  1.24           C
261 
+ATOM    261  OH  TYR A  29     -11.268 -12.011   3.140  1.00  1.57           O
262 
+ATOM    262  H01 TYR A  29      -6.600 -13.608   3.929  1.00  0.47           H
263 
+ATOM    263  N   TYR A  30      -4.694 -12.103   2.017  1.00  0.32           N
264 
+ATOM    264  CA  TYR A  30      -4.275 -10.903   1.222  1.00  0.28           C
265 
+ATOM    265  C   TYR A  30      -3.419 -11.366   0.035  1.00  0.32           C
266 
+ATOM    266  O   TYR A  30      -2.281 -11.759   0.193  1.00  0.38           O
267 
+ATOM    267  CB  TYR A  30      -3.462  -9.958   2.121  1.00  0.29           C
268 
+ATOM    268  CG  TYR A  30      -3.006  -8.741   1.339  1.00  0.20           C
269 
+ATOM    269  CD1 TYR A  30      -3.750  -8.286   0.243  1.00  0.47           C
270 
+ATOM    270  CD2 TYR A  30      -1.832  -8.068   1.715  1.00  0.48           C
271 
+ATOM    271  CE1 TYR A  30      -3.319  -7.163  -0.477  1.00  0.49           C
272 
+ATOM    272  CE2 TYR A  30      -1.400  -6.943   0.995  1.00  0.49           C
273 
+ATOM    273  CZ  TYR A  30      -2.145  -6.493  -0.102  1.00  0.25           C
274 
+ATOM    274  OH  TYR A  30      -1.724  -5.388  -0.814  1.00  0.36           O
275 
+ATOM    275  H01 TYR A  30      -4.725 -12.052   3.025  1.00  0.32           H
276 
+ATOM    276  N   GLY A  31      -3.974 -11.339  -1.151  1.00  0.39           N
277 
+ATOM    277  CA  GLY A  31      -3.215 -11.796  -2.357  1.00  0.51           C
278 
+ATOM    278  C   GLY A  31      -2.004 -10.892  -2.611  1.00  0.58           C
279 
+ATOM    279  O   GLY A  31      -1.214 -11.146  -3.495  1.00  1.36           O
280 
+ATOM    280  H01 GLY A  31      -4.922 -11.007  -1.253  1.00  0.39           H
281 
+ATOM    281  N   GLU A  32      -1.870  -9.835  -1.853  1.00  0.56           N
282 
+ATOM    282  CA  GLU A  32      -0.726  -8.877  -2.011  1.00  0.54           C
283 
+ATOM    283  C   GLU A  32      -0.533  -8.420  -3.470  1.00  0.54           C
284 
+ATOM    284  O   GLU A  32       0.377  -7.671  -3.760  1.00  0.59           O
285 
+ATOM    285  CB  GLU A  32       0.582  -9.491  -1.474  1.00  0.66           C
286 
+ATOM    286  CG  GLU A  32       0.741 -10.947  -1.915  1.00  1.51           C
287 
+ATOM    287  CD  GLU A  32       2.052 -11.506  -1.358  1.00  1.87           C
288 
+ATOM    288  OE1 GLU A  32       3.044 -10.799  -1.410  1.00  2.36           O
289 
+ATOM    289  OE2 GLU A  32       2.040 -12.632  -0.890  1.00  2.37           O1-
290 
+ATOM    290  H01 GLU A  32      -2.560  -9.657  -1.137  1.00  0.56           H
291 
+ATOM    291  N   ASN A  33      -1.373  -8.817  -4.389  1.00  0.51           N
292 
+ATOM    292  CA  ASN A  33      -1.203  -8.335  -5.792  1.00  0.53           C
293 
+ATOM    293  C   ASN A  33      -1.891  -6.977  -5.927  1.00  0.50           C
294 
+ATOM    294  O   ASN A  33      -2.423  -6.444  -4.974  1.00  0.56           O
295 
+ATOM    295  CB  ASN A  33      -1.811  -9.321  -6.806  1.00  0.54           C
296 
+ATOM    296  CG  ASN A  33      -2.420 -10.533  -6.096  1.00  0.62           C
297 
+ATOM    297  ND2 ASN A  33      -3.703 -10.559  -5.864  1.00  0.82           N
298 
+ATOM    298  OD1 ASN A  33      -1.721 -11.465  -5.752  1.00  1.57           O
299 
+ATOM    299  H01 ASN A  33      -2.129  -9.443  -4.153  1.00  0.51           H
300 
+ATOM    300  N   LEU A  34      -1.918  -6.429  -7.107  1.00  0.48           N
301 
+ATOM    301  CA  LEU A  34      -2.609  -5.125  -7.305  1.00  0.47           C
302 
+ATOM    302  C   LEU A  34      -4.108  -5.392  -7.331  1.00  0.40           C
303 
+ATOM    303  O   LEU A  34      -4.911  -4.621  -6.852  1.00  0.37           O
304 
+ATOM    304  CB  LEU A  34      -2.204  -4.539  -8.650  1.00  0.55           C
305 
+ATOM    305  CG  LEU A  34      -0.749  -4.072  -8.606  1.00  0.64           C
306 
+ATOM    306  CD1 LEU A  34      -0.358  -3.503  -9.971  1.00  0.82           C
307 
+ATOM    307  CD2 LEU A  34      -0.590  -2.986  -7.539  1.00  0.61           C
308 
+ATOM    308  H01 LEU A  34      -1.471  -6.888  -7.888  1.00  0.48           H
309 
+ATOM    309  N   ASP A  35      -4.469  -6.494  -7.911  1.00  0.39           N
310 
+ATOM    310  CA  ASP A  35      -5.897  -6.886  -8.018  1.00  0.36           C
311 
+ATOM    311  C   ASP A  35      -6.467  -7.173  -6.632  1.00  0.30           C
312 
+ATOM    312  O   ASP A  35      -7.614  -6.894  -6.351  1.00  0.28           O
313 
+ATOM    313  CB  ASP A  35      -5.975  -8.167  -8.833  1.00  0.38           C
314 
+ATOM    314  CG  ASP A  35      -5.683  -7.865 -10.303  1.00  0.43           C
315 
+ATOM    315  OD1 ASP A  35      -6.344  -7.000 -10.853  1.00  1.24           O
316 
+ATOM    316  OD2 ASP A  35      -4.803  -8.506 -10.856  1.00  1.06           O1-
317 
+ATOM    317  H01 ASP A  35      -3.761  -7.101  -8.300  1.00  0.39           H
318 
+ATOM    318  N   ALA A  36      -5.676  -7.742  -5.769  1.00  0.29           N
319 
+ATOM    319  CA  ALA A  36      -6.180  -8.058  -4.401  1.00  0.25           C
320 
+ATOM    320  C   ALA A  36      -6.124  -6.799  -3.563  1.00  0.22           C
321 
+ATOM    321  O   ALA A  36      -7.111  -6.353  -3.016  1.00  0.22           O
322 
+ATOM    322  CB  ALA A  36      -5.310  -9.125  -3.749  1.00  0.29           C
323 
+ATOM    323  H01 ALA A  36      -4.725  -7.969  -6.024  1.00  0.29           H
324 
+ATOM    324  N   LEU A  37      -4.967  -6.217  -3.477  1.00  0.21           N
325 
+ATOM    325  CA  LEU A  37      -4.820  -4.966  -2.697  1.00  0.19           C
326 
+ATOM    326  C   LEU A  37      -5.987  -4.058  -3.064  1.00  0.16           C
327 
+ATOM    327  O   LEU A  37      -6.706  -3.539  -2.224  1.00  0.16           O
328 
+ATOM    328  CB  LEU A  37      -3.502  -4.299  -3.095  1.00  0.21           C
329 
+ATOM    329  CG  LEU A  37      -3.539  -2.815  -2.724  1.00  0.20           C
330 
+ATOM    330  CD1 LEU A  37      -3.557  -2.667  -1.201  1.00  0.22           C
331 
+ATOM    331  CD2 LEU A  37      -2.302  -2.115  -3.290  1.00  0.24           C
332 
+ATOM    332  H01 LEU A  37      -4.165  -6.618  -3.943  1.00  0.21           H
333 
+ATOM    333  N   TRP A  38      -6.173  -3.884  -4.333  1.00  0.17           N
334 
+ATOM    334  CA  TRP A  38      -7.277  -3.046  -4.821  1.00  0.16           C
335 
+ATOM    335  C   TRP A  38      -8.577  -3.613  -4.303  1.00  0.16           C
336 
+ATOM    336  O   TRP A  38      -9.345  -2.951  -3.643  1.00  0.16           O
337 
+ATOM    337  CB  TRP A  38      -7.315  -3.093  -6.341  1.00  0.18           C
338 
+ATOM    338  CG  TRP A  38      -8.456  -2.267  -6.801  1.00  0.18           C
339 
+ATOM    339  CD1 TRP A  38      -9.708  -2.718  -6.963  1.00  0.21           C
340 
+ATOM    340  CD2 TRP A  38      -8.476  -0.860  -7.128  1.00  0.18           C
341 
+ATOM    341  CE2 TRP A  38      -9.785  -0.502  -7.508  1.00  0.20           C
342 
+ATOM    342  CE3 TRP A  38      -7.487   0.125  -7.138  1.00  0.17           C
343 
+ATOM    343  NE1 TRP A  38     -10.508  -1.672  -7.389  1.00  0.23           N
344 
+ATOM    344  CZ2 TRP A  38     -10.099   0.802  -7.885  1.00  0.22           C
345 
+ATOM    345  CZ3 TRP A  38      -7.785   1.430  -7.507  1.00  0.19           C
346 
+ATOM    346  CH2 TRP A  38      -9.093   1.778  -7.885  1.00  0.20           C
347 
+ATOM    347  H01 TRP A  38      -5.553  -4.329  -4.995  1.00  0.17           H
348 
+ATOM    348  N   ASP A  39      -8.815  -4.850  -4.599  1.00  0.17           N
349 
+ATOM    349  CA  ASP A  39     -10.061  -5.500  -4.130  1.00  0.18           C
350 
+ATOM    350  C   ASP A  39     -10.283  -5.117  -2.672  1.00  0.18           C
351 
+ATOM    351  O   ASP A  39     -11.394  -5.091  -2.182  1.00  0.21           O
352 
+ATOM    352  CB  ASP A  39      -9.927  -7.017  -4.254  1.00  0.21           C
353 
+ATOM    353  CG  ASP A  39     -10.613  -7.488  -5.537  1.00  0.29           C
354 
+ATOM    354  OD1 ASP A  39     -10.045  -7.286  -6.598  1.00  1.13           O
355 
+ATOM    355  OD2 ASP A  39     -11.695  -8.044  -5.438  1.00  1.06           O1-
356 
+ATOM    356  H01 ASP A  39      -8.150  -5.373  -5.151  1.00  0.17           H
357 
+ATOM    357  N   CYS A  40      -9.222  -4.807  -1.977  1.00  0.17           N
358 
+ATOM    358  CA  CYS A  40      -9.354  -4.412  -0.556  1.00  0.19           C
359 
+ATOM    359  C   CYS A  40      -9.797  -2.948  -0.466  1.00  0.19           C
360 
+ATOM    360  O   CYS A  40     -10.745  -2.623   0.218  1.00  0.23           O
361 
+ATOM    361  CB  CYS A  40      -8.001  -4.580   0.132  1.00  0.21           C
362 
+ATOM    362  SG  CYS A  40      -7.334  -6.221  -0.239  1.00  0.58           S
363 
+ATOM    363  H01 CYS A  40      -8.310  -4.837  -2.409  1.00  0.17           H
364 
+ATOM    364  N   LEU A  41      -9.117  -2.057  -1.142  1.00  0.17           N
365 
+ATOM    365  CA  LEU A  41      -9.497  -0.625  -1.076  1.00  0.18           C
366 
+ATOM    366  C   LEU A  41     -10.943  -0.424  -1.548  1.00  0.21           C
367 
+ATOM    367  O   LEU A  41     -11.729   0.247  -0.908  1.00  0.45           O
368 
+ATOM    368  CB  LEU A  41      -8.562   0.173  -1.981  1.00  0.17           C
369 
+ATOM    369  CG  LEU A  41      -7.117  -0.285  -1.776  1.00  0.19           C
370 
+ATOM    370  CD1 LEU A  41      -6.189   0.625  -2.567  1.00  0.18           C
371 
+ATOM    371  CD2 LEU A  41      -6.760  -0.219  -0.289  1.00  0.31           C
372 
+ATOM    372  H01 LEU A  41      -8.333  -2.345  -1.709  1.00  0.17           H
373 
+ATOM    373  N   THR A  42     -11.284  -0.971  -2.679  1.00  0.26           N
374 
+ATOM    374  CA  THR A  42     -12.650  -0.794  -3.226  1.00  0.28           C
375 
+ATOM    375  C   THR A  42     -13.665  -1.664  -2.479  1.00  0.32           C
376 
+ATOM    376  O   THR A  42     -14.826  -1.704  -2.836  1.00  0.55           O
377 
+ATOM    377  CB  THR A  42     -12.649  -1.174  -4.708  1.00  0.26           C
378 
+ATOM    378  CG2 THR A  42     -12.054  -0.026  -5.525  1.00  0.40           C
379 
+ATOM    379  OG1 THR A  42     -11.870  -2.347  -4.894  1.00  0.29           O
380 
+ATOM    380  H01 THR A  42     -10.610  -1.523  -3.190  1.00  0.26           H
381 
+ATOM    381  N   GLY A  43     -13.262  -2.363  -1.452  1.00  0.27           N
382 
+ATOM    382  CA  GLY A  43     -14.258  -3.210  -0.729  1.00  0.31           C
383 
+ATOM    383  C   GLY A  43     -13.627  -3.900   0.484  1.00  0.27           C
384 
+ATOM    384  O   GLY A  43     -13.610  -5.112   0.574  1.00  0.32           O
385 
+ATOM    385  H01 GLY A  43     -12.298  -2.332  -1.153  1.00  0.27           H
386 
+ATOM    386  N   TRP A  44     -13.125  -3.148   1.425  1.00  0.25           N
387 
+ATOM    387  CA  TRP A  44     -12.519  -3.775   2.630  1.00  0.23           C
388 
+ATOM    388  C   TRP A  44     -11.944  -2.689   3.540  1.00  0.23           C
389 
+ATOM    389  O   TRP A  44     -12.415  -2.466   4.637  1.00  0.27           O
390 
+ATOM    390  CB  TRP A  44     -11.402  -4.721   2.201  1.00  0.24           C
391 
+ATOM    391  CG  TRP A  44     -10.808  -5.362   3.411  1.00  0.26           C
392 
+ATOM    392  CD1 TRP A  44      -9.735  -4.894   4.085  1.00  0.27           C
393 
+ATOM    393  CD2 TRP A  44     -11.233  -6.571   4.106  1.00  0.30           C
394 
+ATOM    394  CE2 TRP A  44     -10.366  -6.788   5.202  1.00  0.34           C
395 
+ATOM    395  CE3 TRP A  44     -12.274  -7.493   3.891  1.00  0.35           C
396 
+ATOM    396  NE1 TRP A  44      -9.470  -5.739   5.146  1.00  0.31           N
397 
+ATOM    397  CZ2 TRP A  44     -10.527  -7.879   6.058  1.00  0.41           C
398 
+ATOM    398  CZ3 TRP A  44     -12.439  -8.592   4.750  1.00  0.43           C
399 
+ATOM    399  CH2 TRP A  44     -11.567  -8.785   5.831  1.00  0.45           C
400 
+ATOM    400  H01 TRP A  44     -13.148  -2.142   1.335  1.00  0.25           H
401 
+ATOM    401  N   VAL A  45     -10.925  -2.016   3.089  1.00  0.25           N
402 
+ATOM    402  CA  VAL A  45     -10.304  -0.949   3.912  1.00  0.26           C
403 
+ATOM    403  C   VAL A  45     -11.350   0.112   4.253  1.00  0.25           C
404 
+ATOM    404  O   VAL A  45     -12.264   0.362   3.493  1.00  0.37           O
405 
+ATOM    405  CB  VAL A  45      -9.165  -0.300   3.125  1.00  0.30           C
406 
+ATOM    406  CG1 VAL A  45      -8.436   0.706   4.017  1.00  0.42           C
407 
+ATOM    407  CG2 VAL A  45      -8.181  -1.377   2.661  1.00  0.28           C
408 
+ATOM    408  H01 VAL A  45     -10.554  -2.222   2.172  1.00  0.25           H
409 
+ATOM    409  N   GLU A  46     -11.215   0.751   5.382  1.00  0.21           N
410 
+ATOM    410  CA  GLU A  46     -12.197   1.808   5.755  1.00  0.23           C
411 
+ATOM    411  C   GLU A  46     -11.566   3.177   5.505  1.00  0.22           C
412 
+ATOM    412  O   GLU A  46     -10.440   3.435   5.880  1.00  0.22           O
413 
+ATOM    413  CB  GLU A  46     -12.600   1.688   7.231  1.00  0.30           C
414 
+ATOM    414  CG  GLU A  46     -11.576   0.848   7.993  1.00  1.31           C
415 
+ATOM    415  CD  GLU A  46     -12.107   0.545   9.395  1.00  1.80           C
416 
+ATOM    416  OE1 GLU A  46     -13.089  -0.173   9.493  1.00  2.43           O
417 
+ATOM    417  OE2 GLU A  46     -11.524   1.036  10.347  1.00  2.28           O1-
418 
+ATOM    418  H01 GLU A  46     -10.448   0.530   6.001  1.00  0.21           H
419 
+ATOM    419  N   TYR A  47     -12.285   4.047   4.861  1.00  0.22           N
420 
+ATOM    420  CA  TYR A  47     -11.744   5.402   4.559  1.00  0.22           C
421 
+ATOM    421  C   TYR A  47     -12.564   6.446   5.329  1.00  0.26           C
422 
+ATOM    422  O   TYR A  47     -13.586   6.110   5.892  1.00  0.29           O
423 
+ATOM    423  CB  TYR A  47     -11.851   5.623   3.045  1.00  0.24           C
424 
+ATOM    424  CG  TYR A  47     -10.868   4.720   2.323  1.00  0.24           C
425 
+ATOM    425  CD1 TYR A  47      -9.830   4.081   3.021  1.00  1.25           C
426 
+ATOM    426  CD2 TYR A  47     -10.994   4.520   0.945  1.00  1.21           C
427 
+ATOM    427  CE1 TYR A  47      -8.935   3.251   2.342  1.00  1.27           C
428 
+ATOM    428  CE2 TYR A  47     -10.094   3.692   0.272  1.00  1.20           C
429 
+ATOM    429  CZ  TYR A  47      -9.067   3.058   0.970  1.00  0.29           C
430 
+ATOM    430  OH  TYR A  47      -8.181   2.239   0.301  1.00  0.34           O
431 
+ATOM    431  H01 TYR A  47     -13.218   3.803   4.563  1.00  0.22           H
432 
+ATOM    432  N   PRO A  48     -12.102   7.682   5.359  1.00  0.27           N
433 
+ATOM    433  CA  PRO A  48     -10.858   8.134   4.685  1.00  0.25           C
434 
+ATOM    434  C   PRO A  48      -9.620   7.409   5.219  1.00  0.22           C
435 
+ATOM    435  O   PRO A  48      -9.455   7.234   6.406  1.00  0.30           O
436 
+ATOM    436  CB  PRO A  48     -10.761   9.631   5.010  1.00  0.28           C
437 
+ATOM    437  CG  PRO A  48     -11.970  10.004   5.902  1.00  0.33           C
438 
+ATOM    438  CD  PRO A  48     -12.815   8.738   6.097  1.00  0.32           C
439 
+ATOM    439  N   LEU A  49      -8.744   7.000   4.338  1.00  0.20           N
440 
+ATOM    440  CA  LEU A  49      -7.502   6.298   4.775  1.00  0.19           C
441 
+ATOM    441  C   LEU A  49      -6.301   7.182   4.462  1.00  0.19           C
442 
+ATOM    442  O   LEU A  49      -6.335   7.998   3.567  1.00  0.20           O
443 
+ATOM    443  CB  LEU A  49      -7.362   4.977   3.994  1.00  0.18           C
444 
+ATOM    444  CG  LEU A  49      -5.885   4.560   3.861  1.00  0.17           C
445 
+ATOM    445  CD1 LEU A  49      -5.350   4.066   5.209  1.00  0.20           C
446 
+ATOM    446  CD2 LEU A  49      -5.759   3.447   2.816  1.00  0.16           C
447 
+ATOM    447  H01 LEU A  49      -8.909   7.161   3.355  1.00  0.20           H
448 
+ATOM    448  N   VAL A  50      -5.222   6.985   5.157  1.00  0.21           N
449 
+ATOM    449  CA  VAL A  50      -4.003   7.770   4.857  1.00  0.22           C
450 
+ATOM    450  C   VAL A  50      -2.919   6.786   4.408  1.00  0.20           C
451 
+ATOM    451  O   VAL A  50      -2.748   5.736   4.987  1.00  0.21           O
452 
+ATOM    452  CB  VAL A  50      -3.555   8.555   6.114  1.00  0.26           C
453 
+ATOM    453  CG1 VAL A  50      -2.135   8.158   6.542  1.00  0.26           C
454 
+ATOM    454  CG2 VAL A  50      -3.567  10.051   5.802  1.00  0.29           C
455 
+ATOM    455  H01 VAL A  50      -5.214   6.300   5.899  1.00  0.21           H
456 
+ATOM    456  N   LEU A  51      -2.167   7.122   3.409  1.00  0.19           N
457 
+ATOM    457  CA  LEU A  51      -1.081   6.210   2.976  1.00  0.18           C
458 
+ATOM    458  C   LEU A  51       0.228   6.969   3.109  1.00  0.18           C
459 
+ATOM    459  O   LEU A  51       0.745   7.517   2.155  1.00  0.20           O
460 
+ATOM    460  CB  LEU A  51      -1.267   5.748   1.523  1.00  0.17           C
461 
+ATOM    461  CG  LEU A  51      -0.106   4.823   1.149  1.00  0.19           C
462 
+ATOM    462  CD1 LEU A  51      -0.195   3.543   1.973  1.00  0.21           C
463 
+ATOM    463  CD2 LEU A  51      -0.185   4.451  -0.328  1.00  0.18           C
464 
+ATOM    464  H01 LEU A  51      -2.319   7.998   2.929  1.00  0.19           H
465 
+ATOM    465  N   GLU A  52       0.760   7.014   4.296  1.00  0.19           N
466 
+ATOM    466  CA  GLU A  52       2.031   7.743   4.505  1.00  0.21           C
467 
+ATOM    467  C   GLU A  52       3.158   6.861   3.988  1.00  0.19           C
468 
+ATOM    468  O   GLU A  52       3.789   6.122   4.721  1.00  0.19           O
469 
+ATOM    469  CB  GLU A  52       2.213   8.030   5.996  1.00  0.24           C
470 
+ATOM    470  CG  GLU A  52       3.642   8.508   6.256  1.00  0.30           C
471 
+ATOM    471  CD  GLU A  52       3.650   9.471   7.444  1.00  0.64           C
472 
+ATOM    472  OE1 GLU A  52       2.717   9.420   8.229  1.00  1.28           O
473 
+ATOM    473  OE2 GLU A  52       4.588  10.244   7.550  1.00  1.44           O1-
474 
+ATOM    474  H01 GLU A  52       0.307   6.553   5.072  1.00  0.19           H
475 
+ATOM    475  N   TRP A  53       3.385   6.915   2.708  1.00  0.20           N
476 
+ATOM    476  CA  TRP A  53       4.436   6.072   2.099  1.00  0.20           C
477 
+ATOM    477  C   TRP A  53       5.813   6.694   2.321  1.00  0.24           C
478 
+ATOM    478  O   TRP A  53       6.142   7.720   1.760  1.00  0.38           O
479 
+ATOM    479  CB  TRP A  53       4.175   5.945   0.603  1.00  0.24           C
480 
+ATOM    480  CG  TRP A  53       4.807   4.689   0.123  1.00  0.23           C
481 
+ATOM    481  CD1 TRP A  53       6.084   4.326   0.376  1.00  0.25           C
482 
+ATOM    482  CD2 TRP A  53       4.223   3.620  -0.671  1.00  0.21           C
483 
+ATOM    483  CE2 TRP A  53       5.210   2.627  -0.872  1.00  0.24           C
484 
+ATOM    484  CE3 TRP A  53       2.948   3.416  -1.234  1.00  0.21           C
485 
+ATOM    485  NE1 TRP A  53       6.325   3.103  -0.214  1.00  0.26           N
486 
+ATOM    486  CZ2 TRP A  53       4.946   1.474  -1.601  1.00  0.25           C
487 
+ATOM    487  CZ3 TRP A  53       2.684   2.251  -1.974  1.00  0.23           C
488 
+ATOM    488  CH2 TRP A  53       3.682   1.284  -2.156  1.00  0.25           C
489 
+ATOM    489  H01 TRP A  53       2.840   7.536   2.127  1.00  0.20           H
490 
+ATOM    490  N   ARG A  54       6.627   6.069   3.124  1.00  0.26           N
491 
+ATOM    491  CA  ARG A  54       7.992   6.607   3.371  1.00  0.35           C
492 
+ATOM    492  C   ARG A  54       8.988   5.823   2.515  1.00  0.49           C
493 
+ATOM    493  O   ARG A  54       8.781   4.663   2.219  1.00  1.33           O
494 
+ATOM    494  CB  ARG A  54       8.346   6.446   4.849  1.00  0.44           C
495 
+ATOM    495  CG  ARG A  54       8.545   7.825   5.481  1.00  0.88           C
496 
+ATOM    496  CD  ARG A  54       8.772   7.667   6.985  1.00  1.09           C
497 
+ATOM    497  NE  ARG A  54      10.009   8.396   7.382  1.00  1.40           N
498 
+ATOM    498  CZ  ARG A  54      10.254   8.632   8.637  1.00  1.87           C
499 
+ATOM    499  NH1 ARG A  54      10.719   7.683   9.399  1.00  2.47           N1+
500 
+ATOM    500  NH2 ARG A  54      10.035   9.816   9.133  1.00  2.46           N
501 
+ATOM    501  H01 ARG A  54       6.331   5.218   3.580  1.00  0.26           H
502 
+ATOM    502  N   GLN A  55      10.062   6.439   2.107  1.00  0.53           N
503 
+ATOM    503  CA  GLN A  55      11.050   5.709   1.264  1.00  0.46           C
504 
+ATOM    504  C   GLN A  55      10.308   5.032   0.111  1.00  0.53           C
505 
+ATOM    505  O   GLN A  55      10.193   3.826   0.056  1.00  1.30           O
506 
+ATOM    506  CB  GLN A  55      11.759   4.650   2.111  1.00  0.55           C
507 
+ATOM    507  CG  GLN A  55      13.251   4.974   2.186  1.00  1.05           C
508 
+ATOM    508  CD  GLN A  55      13.542   5.750   3.472  1.00  1.22           C
509 
+ATOM    509  NE2 GLN A  55      14.698   6.338   3.616  1.00  1.89           N
510 
+ATOM    510  OE1 GLN A  55      12.710   5.822   4.354  1.00  1.82           O
511 
+ATOM    511  H01 GLN A  55      10.223   7.403   2.360  1.00  0.53           H
512 
+ATOM    512  N   PHE A  56       9.791   5.807  -0.801  1.00  0.64           N
513 
+ATOM    513  CA  PHE A  56       9.035   5.228  -1.949  1.00  0.57           C
514 
+ATOM    514  C   PHE A  56      10.002   4.576  -2.944  1.00  0.71           C
515 
+ATOM    515  O   PHE A  56      10.000   3.374  -3.124  1.00  1.62           O
516 
+ATOM    516  CB  PHE A  56       8.267   6.356  -2.637  1.00  0.62           C
517 
+ATOM    517  CG  PHE A  56       7.213   5.805  -3.572  1.00  0.57           C
518 
+ATOM    518  CD1 PHE A  56       6.938   4.430  -3.629  1.00  1.37           C
519 
+ATOM    519  CD2 PHE A  56       6.504   6.690  -4.386  1.00  1.31           C
520 
+ATOM    520  CE1 PHE A  56       5.953   3.951  -4.507  1.00  1.40           C
521 
+ATOM    521  CE2 PHE A  56       5.522   6.212  -5.260  1.00  1.40           C
522 
+ATOM    522  CZ  PHE A  56       5.249   4.842  -5.323  1.00  0.79           C
523 
+ATOM    523  H01 PHE A  56       9.903   6.808  -0.730  1.00  0.64           H
524 
+ATOM    524  N   GLU A  57      10.824   5.355  -3.595  1.00  0.67           N
525 
+ATOM    525  CA  GLU A  57      11.784   4.768  -4.576  1.00  0.65           C
526 
+ATOM    526  C   GLU A  57      12.637   3.708  -3.882  1.00  0.58           C
527 
+ATOM    527  O   GLU A  57      13.002   2.709  -4.467  1.00  0.58           O
528 
+ATOM    528  CB  GLU A  57      12.703   5.861  -5.118  1.00  0.80           C
529 
+ATOM    529  CG  GLU A  57      11.991   6.634  -6.229  1.00  1.16           C
530 
+ATOM    530  CD  GLU A  57      12.794   7.891  -6.571  1.00  1.75           C
531 
+ATOM    531  OE1 GLU A  57      13.812   8.110  -5.935  1.00  2.34           O
532 
+ATOM    532  OE2 GLU A  57      12.378   8.612  -7.462  1.00  2.41           O1-
533 
+ATOM    533  H01 GLU A  57      10.810   6.352  -3.435  1.00  0.67           H
534 
+ATOM    534  N   GLN A  58      12.961   3.924  -2.638  1.00  0.58           N
535 
+ATOM    535  CA  GLN A  58      13.786   2.942  -1.899  1.00  0.60           C
536 
+ATOM    536  C   GLN A  58      12.982   1.655  -1.731  1.00  0.53           C
537 
+ATOM    537  O   GLN A  58      13.524   0.569  -1.730  1.00  0.56           O
538 
+ATOM    538  CB  GLN A  58      14.158   3.516  -0.530  1.00  0.69           C
539 
+ATOM    539  CG  GLN A  58      15.064   4.735  -0.723  1.00  0.94           C
540 
+ATOM    540  CD  GLN A  58      16.526   4.322  -0.542  1.00  1.56           C
541 
+ATOM    541  NE2 GLN A  58      17.472   5.114  -0.966  1.00  1.94           N
542 
+ATOM    542  OE1 GLN A  58      16.810   3.268  -0.008  1.00  2.34           O
543 
+ATOM    543  H01 GLN A  58      12.648   4.766  -2.176  1.00  0.58           H
544 
+ATOM    544  N   SER A  59      11.685   1.773  -1.611  1.00  0.52           N
545 
+ATOM    545  CA  SER A  59      10.829   0.560  -1.473  1.00  0.52           C
546 
+ATOM    546  C   SER A  59      10.318   0.172  -2.859  1.00  0.44           C
547 
+ATOM    547  O   SER A  59       9.371  -0.576  -3.002  1.00  0.48           O
548 
+ATOM    548  CB  SER A  59       9.639   0.859  -0.562  1.00  0.65           C
549 
+ATOM    549  OG  SER A  59       9.861   0.266   0.709  1.00  1.39           O
550 
+ATOM    550  H01 SER A  59      11.261   2.690  -1.612  1.00  0.52           H
551 
+ATOM    551  N   LYS A  60      10.954   0.675  -3.881  1.00  0.41           N
552 
+ATOM    552  CA  LYS A  60      10.532   0.342  -5.266  1.00  0.42           C
553 
+ATOM    553  C   LYS A  60      11.614  -0.520  -5.922  1.00  0.44           C
554 
+ATOM    554  O   LYS A  60      11.326  -1.436  -6.666  1.00  0.55           O
555 
+ATOM    555  CB  LYS A  60      10.356   1.636  -6.062  1.00  0.51           C
556 
+ATOM    556  CG  LYS A  60       9.518   1.361  -7.311  1.00  1.03           C
557 
+ATOM    557  CD  LYS A  60       9.317   2.665  -8.084  1.00  1.61           C
558 
+ATOM    558  CE  LYS A  60       9.529   2.412  -9.575  1.00  2.36           C
559 
+ATOM    559  NZ  LYS A  60      10.507   3.397 -10.112  1.00  3.11           N1+
560 
+ATOM    560  H01 LYS A  60      11.738   1.294  -3.730  1.00  0.41           H
561 
+ATOM    561  N   GLN A  61      12.860  -0.228  -5.655  1.00  0.51           N
562 
+ATOM    562  CA  GLN A  61      13.963  -1.020  -6.264  1.00  0.62           C
563 
+ATOM    563  C   GLN A  61      14.010  -2.425  -5.651  1.00  0.60           C
564 
+ATOM    564  O   GLN A  61      13.841  -3.416  -6.332  1.00  0.66           O
565 
+ATOM    565  CB  GLN A  61      15.297  -0.315  -6.006  1.00  0.73           C
566 
+ATOM    566  CG  GLN A  61      15.326   1.021  -6.751  1.00  1.14           C
567 
+ATOM    567  CD  GLN A  61      16.704   1.221  -7.385  1.00  1.66           C
568 
+ATOM    568  NE2 GLN A  61      17.024   2.390  -7.868  1.00  2.39           N
569 
+ATOM    569  OE1 GLN A  61      17.499   0.303  -7.440  1.00  2.16           O
570 
+ATOM    570  H01 GLN A  61      13.075   0.538  -5.033  1.00  0.51           H
571 
+ATOM    571  N   LEU A  62      14.264  -2.497  -4.372  1.00  0.64           N
572 
+ATOM    572  CA  LEU A  62      14.358  -3.820  -3.661  1.00  0.71           C
573 
+ATOM    573  C   LEU A  62      13.391  -4.833  -4.276  1.00  0.67           C
574 
+ATOM    574  O   LEU A  62      13.653  -6.019  -4.302  1.00  0.94           O
575 
+ATOM    575  CB  LEU A  62      13.995  -3.678  -2.170  1.00  0.78           C
576 
+ATOM    576  CG  LEU A  62      13.609  -2.241  -1.817  1.00  0.78           C
577 
+ATOM    577  CD1 LEU A  62      12.330  -1.844  -2.561  1.00  0.66           C
578 
+ATOM    578  CD2 LEU A  62      13.367  -2.146  -0.310  1.00  0.94           C
579 
+ATOM    579  H01 LEU A  62      14.401  -1.645  -3.848  1.00  0.64           H
580 
+ATOM    580  N   THR A  63      12.276  -4.379  -4.770  1.00  0.58           N
581 
+ATOM    581  CA  THR A  63      11.298  -5.309  -5.376  1.00  0.70           C
582 
+ATOM    582  C   THR A  63      10.933  -4.785  -6.761  1.00  0.81           C
583 
+ATOM    583  O   THR A  63       9.802  -4.445  -7.030  1.00  0.89           O
584 
+ATOM    584  CB  THR A  63      10.042  -5.450  -4.482  1.00  0.65           C
585 
+ATOM    585  CG2 THR A  63       9.848  -4.231  -3.559  1.00  0.52           C
586 
+ATOM    586  OG1 THR A  63       8.893  -5.599  -5.300  1.00  0.72           O
587 
+ATOM    587  H01 THR A  63      12.078  -3.389  -4.740  1.00  0.58           H
588 
+ATOM    588  N   GLU A  64      11.921  -4.721  -7.629  1.00  0.95           N
589 
+ATOM    589  CA  GLU A  64      11.731  -4.227  -9.035  1.00  1.21           C
590 
+ATOM    590  C   GLU A  64      10.247  -4.117  -9.389  1.00  1.18           C
591 
+ATOM    591  O   GLU A  64       9.570  -5.108  -9.578  1.00  1.53           O
592 
+ATOM    592  CB  GLU A  64      12.403  -5.214  -9.993  1.00  1.55           C
593 
+ATOM    593  CG  GLU A  64      12.903  -4.472 -11.231  1.00  1.91           C
594 
+ATOM    594  CD  GLU A  64      14.052  -5.257 -11.865  1.00  2.44           C
595 
+ATOM    595  OE1 GLU A  64      14.291  -6.373 -11.432  1.00  3.09           O
596 
+ATOM    596  OE2 GLU A  64      14.675  -4.730 -12.771  1.00  2.79           O1-
597 
+ATOM    597  H01 GLU A  64      12.842  -5.015  -7.338  1.00  0.95           H
598 
+ATOM    598  N   ASN A  65       9.732  -2.920  -9.470  1.00  1.70           N
599 
+ATOM    599  CA  ASN A  65       8.289  -2.761  -9.802  1.00  1.68           C
600 
+ATOM    600  C   ASN A  65       7.456  -3.157  -8.582  1.00  0.85           C
601 
+ATOM    601  O   ASN A  65       6.375  -3.697  -8.706  1.00  1.09           O
602 
+ATOM    602  CB  ASN A  65       7.944  -3.685 -10.974  1.00  2.27           C
603 
+ATOM    603  CG  ASN A  65       6.828  -3.063 -11.814  1.00  2.89           C
604 
+ATOM    604  ND2 ASN A  65       5.844  -3.815 -12.224  1.00  3.66           N
605 
+ATOM    605  OD1 ASN A  65       6.854  -1.884 -12.103  1.00  3.24           O
606 
+ATOM    606  H01 ASN A  65      10.309  -2.107  -9.308  1.00  1.70           H
607 
+ATOM    607  N   GLY A  66       7.968  -2.928  -7.401  1.00  0.56           N
608 
+ATOM    608  CA  GLY A  66       7.225  -3.330  -6.177  1.00  1.20           C
609 
+ATOM    609  C   GLY A  66       6.279  -2.227  -5.680  1.00  0.91           C
610 
+ATOM    610  O   GLY A  66       5.073  -2.381  -5.677  1.00  1.26           O
611 
+ATOM    611  H01 GLY A  66       8.869  -2.478  -7.320  1.00  0.56           H
612 
+ATOM    612  N   ALA A  67       6.826  -1.155  -5.185  1.00  0.39           N
613 
+ATOM    613  CA  ALA A  67       5.996  -0.071  -4.590  1.00  0.46           C
614 
+ATOM    614  C   ALA A  67       5.313   0.846  -5.615  1.00  0.34           C
615 
+ATOM    615  O   ALA A  67       4.352   1.513  -5.286  1.00  0.53           O
616 
+ATOM    616  CB  ALA A  67       6.909   0.777  -3.713  1.00  0.64           C
617 
+ATOM    617  H01 ALA A  67       7.831  -1.056  -5.205  1.00  0.39           H
618 
+ATOM    618  N   GLU A  68       5.778   0.935  -6.823  1.00  0.27           N
619 
+ATOM    619  CA  GLU A  68       5.129   1.851  -7.769  1.00  0.38           C
620 
+ATOM    620  C   GLU A  68       3.751   1.292  -8.176  1.00  0.39           C
621 
+ATOM    621  O   GLU A  68       2.884   2.021  -8.617  1.00  0.49           O
622 
+ATOM    622  CB  GLU A  68       6.069   2.020  -8.971  1.00  0.51           C
623 
+ATOM    623  CG  GLU A  68       5.274   2.020 -10.258  1.00  1.38           C
624 
+ATOM    624  CD  GLU A  68       6.148   2.521 -11.410  1.00  1.57           C
625 
+ATOM    625  OE1 GLU A  68       6.989   3.370 -11.165  1.00  1.83           O
626 
+ATOM    626  OE2 GLU A  68       5.961   2.047 -12.518  1.00  2.27           O1-
627 
+ATOM    627  H01 GLU A  68       6.574   0.383  -7.108  1.00  0.27           H
628 
+ATOM    628  N   SER A  69       3.544   0.011  -8.034  1.00  0.39           N
629 
+ATOM    629  CA  SER A  69       2.227  -0.585  -8.417  1.00  0.47           C
630 
+ATOM    630  C   SER A  69       1.196  -0.382  -7.297  1.00  0.37           C
631 
+ATOM    631  O   SER A  69       0.120   0.157  -7.510  1.00  0.35           O
632 
+ATOM    632  CB  SER A  69       2.405  -2.082  -8.669  1.00  0.58           C
633 
+ATOM    633  OG  SER A  69       2.127  -2.366 -10.033  1.00  0.90           O
634 
+ATOM    634  H01 SER A  69       4.275  -0.579  -7.664  1.00  0.39           H
635 
+ATOM    635  N   VAL A  70       1.509  -0.818  -6.106  1.00  0.34           N
636 
+ATOM    636  CA  VAL A  70       0.544  -0.662  -4.984  1.00  0.27           C
637 
+ATOM    637  C   VAL A  70       0.107   0.793  -4.912  1.00  0.20           C
638 
+ATOM    638  O   VAL A  70      -1.057   1.098  -4.748  1.00  0.20           O
639 
+ATOM    639  CB  VAL A  70       1.215  -1.063  -3.671  1.00  0.31           C
640 
+ATOM    640  CG1 VAL A  70       0.288  -0.737  -2.499  1.00  0.29           C
641 
+ATOM    641  CG2 VAL A  70       1.504  -2.565  -3.687  1.00  0.41           C
642 
+ATOM    642  H01 VAL A  70       2.403  -1.260  -5.947  1.00  0.34           H
643 
+ATOM    643  N   LEU A  71       1.033   1.696  -5.048  1.00  0.24           N
644 
+ATOM    644  CA  LEU A  71       0.663   3.134  -5.002  1.00  0.23           C
645 
+ATOM    645  C   LEU A  71      -0.340   3.411  -6.113  1.00  0.23           C
646 
+ATOM    646  O   LEU A  71      -1.335   4.061  -5.909  1.00  0.23           O
647 
+ATOM    647  CB  LEU A  71       1.897   3.996  -5.229  1.00  0.30           C
648 
+ATOM    648  CG  LEU A  71       1.476   5.464  -5.305  1.00  0.35           C
649 
+ATOM    649  CD1 LEU A  71       1.177   5.986  -3.899  1.00  0.36           C
650 
+ATOM    650  CD2 LEU A  71       2.605   6.290  -5.924  1.00  0.43           C
651 
+ATOM    651  H01 LEU A  71       1.996   1.422  -5.184  1.00  0.24           H
652 
+ATOM    652  N   GLN A  72      -0.083   2.914  -7.289  1.00  0.28           N
653 
+ATOM    653  CA  GLN A  72      -1.027   3.138  -8.419  1.00  0.30           C
654 
+ATOM    654  C   GLN A  72      -2.417   2.716  -7.977  1.00  0.25           C
655 
+ATOM    655  O   GLN A  72      -3.408   3.314  -8.334  1.00  0.25           O
656 
+ATOM    656  CB  GLN A  72      -0.583   2.279  -9.617  1.00  0.35           C
657 
+ATOM    657  CG  GLN A  72      -1.789   1.868 -10.473  1.00  1.18           C
658 
+ATOM    658  CD  GLN A  72      -1.304   1.317 -11.813  1.00  1.42           C
659 
+ATOM    659  NE2 GLN A  72      -1.144   0.029 -11.955  1.00  1.97           N
660 
+ATOM    660  OE1 GLN A  72      -1.069   2.064 -12.742  1.00  1.78           O
661 
+ATOM    661  H01 GLN A  72       0.759   2.375  -7.435  1.00  0.28           H
662 
+ATOM    662  N   VAL A  73      -2.487   1.666  -7.230  1.00  0.23           N
663 
+ATOM    663  CA  VAL A  73      -3.797   1.162  -6.774  1.00  0.20           C
664 
+ATOM    664  C   VAL A  73      -4.352   2.055  -5.661  1.00  0.16           C
665 
+ATOM    665  O   VAL A  73      -5.547   2.201  -5.514  1.00  0.16           O
666 
+ATOM    666  CB  VAL A  73      -3.590  -0.254  -6.268  1.00  0.21           C
667 
+ATOM    667  CG1 VAL A  73      -4.840  -0.752  -5.547  1.00  0.20           C
668 
+ATOM    668  CG2 VAL A  73      -3.258  -1.151  -7.468  1.00  0.26           C
669 
+ATOM    669  H01 VAL A  73      -1.641   1.187  -6.956  1.00  0.23           H
670 
+ATOM    670  N   PHE A  74      -3.501   2.649  -4.873  1.00  0.15           N
671 
+ATOM    671  CA  PHE A  74      -4.001   3.529  -3.773  1.00  0.14           C
672 
+ATOM    672  C   PHE A  74      -4.501   4.858  -4.358  1.00  0.16           C
673 
+ATOM    673  O   PHE A  74      -5.460   5.440  -3.887  1.00  0.18           O
674 
+ATOM    674  CB  PHE A  74      -2.868   3.807  -2.778  1.00  0.14           C
675 
+ATOM    675  CG  PHE A  74      -2.926   2.806  -1.651  1.00  0.12           C
676 
+ATOM    676  CD1 PHE A  74      -3.895   2.932  -0.650  1.00  0.16           C
677 
+ATOM    677  CD2 PHE A  74      -2.007   1.751  -1.608  1.00  0.16           C
678 
+ATOM    678  CE1 PHE A  74      -3.946   2.003   0.395  1.00  0.18           C
679 
+ATOM    679  CE2 PHE A  74      -2.058   0.822  -0.563  1.00  0.19           C
680 
+ATOM    680  CZ  PHE A  74      -3.027   0.949   0.439  1.00  0.19           C
681 
+ATOM    681  H01 PHE A  74      -2.509   2.515  -5.005  1.00  0.15           H
682 
+ATOM    682  N   ARG A  75      -3.859   5.334  -5.388  1.00  0.19           N
683 
+ATOM    683  CA  ARG A  75      -4.271   6.610  -6.018  1.00  0.23           C
684 
+ATOM    684  C   ARG A  75      -5.453   6.341  -6.929  1.00  0.24           C
685 
+ATOM    685  O   ARG A  75      -6.368   7.124  -7.030  1.00  0.33           O
686 
+ATOM    686  CB  ARG A  75      -3.119   7.150  -6.851  1.00  0.26           C
687 
+ATOM    687  CG  ARG A  75      -1.995   7.625  -5.930  1.00  0.54           C
688 
+ATOM    688  CD  ARG A  75      -1.790   9.130  -6.107  1.00  1.28           C
689 
+ATOM    689  NE  ARG A  75      -1.186   9.394  -7.445  1.00  1.38           N
690 
+ATOM    690  CZ  ARG A  75      -1.177  10.604  -7.930  1.00  1.76           C
691 
+ATOM    691  NH1 ARG A  75      -1.310  11.627  -7.134  1.00  2.43           N1+
692 
+ATOM    692  NH2 ARG A  75      -1.032  10.790  -9.212  1.00  2.43           N
693 
+ATOM    693  H01 ARG A  75      -3.070   4.826  -5.762  1.00  0.19           H
694 
+ATOM    694  N   GLU A  76      -5.429   5.219  -7.581  1.00  0.22           N
695 
+ATOM    695  CA  GLU A  76      -6.544   4.838  -8.482  1.00  0.23           C
696 
+ATOM    696  C   GLU A  76      -7.787   4.692  -7.616  1.00  0.21           C
697 
+ATOM    697  O   GLU A  76      -8.839   5.219  -7.917  1.00  0.23           O
698 
+ATOM    698  CB  GLU A  76      -6.206   3.501  -9.129  1.00  0.24           C
699 
+ATOM    699  CG  GLU A  76      -5.555   3.723 -10.494  1.00  0.30           C
700 
+ATOM    700  CD  GLU A  76      -6.631   4.058 -11.527  1.00  0.89           C
701 
+ATOM    701  OE1 GLU A  76      -7.781   3.734 -11.282  1.00  1.65           O
702 
+ATOM    702  OE2 GLU A  76      -6.286   4.632 -12.547  1.00  1.48           O1-
703 
+ATOM    703  H01 GLU A  76      -4.641   4.597  -7.473  1.00  0.22           H
704 
+ATOM    704  N   ALA A  77      -7.653   4.005  -6.512  1.00  0.18           N
705 
+ATOM    705  CA  ALA A  77      -8.796   3.857  -5.591  1.00  0.17           C
706 
+ATOM    706  C   ALA A  77      -9.143   5.259  -5.113  1.00  0.19           C
707 
+ATOM    707  O   ALA A  77     -10.294   5.632  -5.003  1.00  0.20           O
708 
+ATOM    708  CB  ALA A  77      -8.403   2.975  -4.403  1.00  0.17           C
709 
+ATOM    709  H01 ALA A  77      -6.766   3.575  -6.289  1.00  0.18           H
710 
+ATOM    710  N   LYS A  78      -8.133   6.059  -4.876  1.00  0.21           N
711 
+ATOM    711  CA  LYS A  78      -8.377   7.464  -4.462  1.00  0.24           C
712 
+ATOM    712  C   LYS A  78      -9.200   8.121  -5.560  1.00  0.28           C
713 
+ATOM    713  O   LYS A  78      -9.990   9.016  -5.336  1.00  0.32           O
714 
+ATOM    714  CB  LYS A  78      -7.038   8.187  -4.372  1.00  0.26           C
715 
+ATOM    715  CG  LYS A  78      -7.077   9.218  -3.247  1.00  0.32           C
716 
+ATOM    716  CD  LYS A  78      -7.173  10.619  -3.855  1.00  0.70           C
717 
+ATOM    717  CE  LYS A  78      -7.216  11.663  -2.738  1.00  0.99           C
718 
+ATOM    718  NZ  LYS A  78      -6.353  12.821  -3.109  1.00  1.50           N1+
719 
+ATOM    719  H01 LYS A  78      -7.187   5.720  -4.975  1.00  0.21           H
720 
+ATOM    720  N   ALA A  79      -8.984   7.664  -6.756  1.00  0.28           N
721 
+ATOM    721  CA  ALA A  79      -9.690   8.204  -7.933  1.00  0.33           C
722 
+ATOM    722  C   ALA A  79     -11.110   7.645  -7.972  1.00  0.32           C
723 
+ATOM    723  O   ALA A  79     -12.027   8.262  -8.477  1.00  0.38           O
724 
+ATOM    724  CB  ALA A  79      -8.920   7.757  -9.173  1.00  0.35           C
725 
+ATOM    725  H01 ALA A  79      -8.314   6.919  -6.884  1.00  0.28           H
726 
+ATOM    726  N   GLU A  80     -11.285   6.472  -7.440  1.00  0.28           N
727 
+ATOM    727  CA  GLU A  80     -12.620   5.829  -7.425  1.00  0.29           C
728 
+ATOM    728  C   GLU A  80     -13.585   6.626  -6.544  1.00  0.37           C
729 
+ATOM    729  O   GLU A  80     -14.762   6.332  -6.476  1.00  0.68           O
730 
+ATOM    730  CB  GLU A  80     -12.466   4.417  -6.865  1.00  0.32           C
731 
+ATOM    731  CG  GLU A  80     -12.076   3.469  -7.995  1.00  0.45           C
732 
+ATOM    732  CD  GLU A  80     -13.336   2.876  -8.627  1.00  0.67           C
733 
+ATOM    733  OE1 GLU A  80     -13.927   3.543  -9.460  1.00  1.40           O
734 
+ATOM    734  OE2 GLU A  80     -13.688   1.764  -8.269  1.00  1.30           O1-
735 
+ATOM    735  H01 GLU A  80     -10.498   5.991  -7.030  1.00  0.28           H
736 
+ATOM    736  N   GLY A  81     -13.098   7.621  -5.858  1.00  0.39           N
737 
+ATOM    737  CA  GLY A  81     -13.987   8.421  -4.973  1.00  0.45           C
738 
+ATOM    738  C   GLY A  81     -13.572   8.186  -3.522  1.00  0.39           C
739 
+ATOM    739  O   GLY A  81     -13.963   8.908  -2.626  1.00  0.45           O
740 
+ATOM    740  H01 GLY A  81     -12.117   7.849  -5.927  1.00  0.39           H
741 
+ATOM    741  N   CYS A  82     -12.776   7.179  -3.288  1.00  0.41           N
742 
+ATOM    742  CA  CYS A  82     -12.322   6.888  -1.905  1.00  0.38           C
743 
+ATOM    743  C   CYS A  82     -11.476   8.057  -1.395  1.00  0.38           C
744 
+ATOM    744  O   CYS A  82     -10.977   8.854  -2.164  1.00  0.49           O
745 
+ATOM    745  CB  CYS A  82     -11.480   5.614  -1.920  1.00  0.39           C
746 
+ATOM    746  SG  CYS A  82     -12.566   4.168  -1.820  1.00  0.63           S
747 
+ATOM    747  H01 CYS A  82     -12.467   6.595  -4.052  1.00  0.41           H
748 
+ATOM    748  N   ASP A  83     -11.316   8.173  -0.105  1.00  0.32           N
749 
+ATOM    749  CA  ASP A  83     -10.510   9.298   0.444  1.00  0.37           C
750 
+ATOM    750  C   ASP A  83      -9.188   8.769   1.009  1.00  0.36           C
751 
+ATOM    751  O   ASP A  83      -8.935   8.844   2.195  1.00  0.57           O
752 
+ATOM    752  CB  ASP A  83     -11.305   9.984   1.553  1.00  0.42           C
753 
+ATOM    753  CG  ASP A  83     -10.709  11.364   1.834  1.00  0.53           C
754 
+ATOM    754  OD1 ASP A  83      -9.782  11.437   2.624  1.00  1.11           O
755 
+ATOM    755  OD2 ASP A  83     -11.191  12.324   1.255  1.00  1.30           O1-
756 
+ATOM    756  H01 ASP A  83     -11.738   7.501   0.520  1.00  0.32           H
757 
+ATOM    757  N   ILE A  84      -8.339   8.244   0.168  1.00  0.33           N
758 
+ATOM    758  CA  ILE A  84      -7.028   7.720   0.652  1.00  0.31           C
759 
+ATOM    759  C   ILE A  84      -5.965   8.818   0.503  1.00  0.34           C
760 
+ATOM    760  O   ILE A  84      -5.289   8.905  -0.503  1.00  0.67           O
761 
+ATOM    761  CB  ILE A  84      -6.622   6.513  -0.191  1.00  0.30           C
762 
+ATOM    762  CG1 ILE A  84      -7.546   5.345   0.117  1.00  0.50           C
763 
+ATOM    763  CG2 ILE A  84      -5.182   6.114   0.131  1.00  0.28           C
764 
+ATOM    764  CD1 ILE A  84      -8.049   4.762  -1.198  1.00  0.34           C
765 
+ATOM    765  H01 ILE A  84      -8.570   8.192  -0.814  1.00  0.33           H
766 
+ATOM    766  N   THR A  85      -5.813   9.657   1.490  1.00  0.49           N
767 
+ATOM    767  CA  THR A  85      -4.796  10.748   1.400  1.00  0.50           C
768 
+ATOM    768  C   THR A  85      -3.430  10.156   1.047  1.00  0.47           C
769 
+ATOM    769  O   THR A  85      -2.721   9.661   1.897  1.00  0.60           O
770 
+ATOM    770  CB  THR A  85      -4.702  11.468   2.749  1.00  0.61           C
771 
+ATOM    771  CG2 THR A  85      -3.458  12.361   2.773  1.00  0.55           C
772 
+ATOM    772  OG1 THR A  85      -5.862  12.265   2.940  1.00  0.76           O
773 
+ATOM    773  H01 THR A  85      -6.385   9.569   2.318  1.00  0.49           H
774 
+ATOM    774  N   ILE A  86      -3.051  10.211  -0.200  1.00  0.41           N
775 
+ATOM    775  CA  ILE A  86      -1.727   9.654  -0.602  1.00  0.40           C
776 
+ATOM    776  C   ILE A  86      -0.610  10.583  -0.118  1.00  0.44           C
777 
+ATOM    777  O   ILE A  86      -0.489  11.706  -0.564  1.00  0.59           O
778 
+ATOM    778  CB  ILE A  86      -1.665   9.540  -2.126  1.00  0.38           C
779 
+ATOM    779  CG1 ILE A  86      -2.821   8.668  -2.620  1.00  0.74           C
780 
+ATOM    780  CG2 ILE A  86      -0.331   8.915  -2.540  1.00  0.93           C
781 
+ATOM    781  CD1 ILE A  86      -2.613   7.223  -2.166  1.00  0.32           C
782 
+ATOM    782  H01 ILE A  86      -3.654  10.631  -0.893  1.00  0.41           H
783 
+ATOM    783  N   ILE A  87       0.212  10.123   0.786  1.00  0.39           N
784 
+ATOM    784  CA  ILE A  87       1.322  10.982   1.287  1.00  0.44           C
785 
+ATOM    785  C   ILE A  87       2.659  10.368   0.860  1.00  0.44           C
786 
+ATOM    786  O   ILE A  87       3.132   9.413   1.442  1.00  0.55           O
787 
+ATOM    787  CB  ILE A  87       1.247  11.073   2.813  1.00  0.46           C
788 
+ATOM    788  CG1 ILE A  87       0.091  11.995   3.208  1.00  0.57           C
789 
+ATOM    789  CG2 ILE A  87       2.556  11.640   3.362  1.00  0.55           C
790 
+ATOM    790  CD1 ILE A  87      -0.237  11.800   4.689  1.00  0.61           C
791 
+ATOM    791  H01 ILE A  87       0.096   9.186   1.145  1.00  0.39           H
792 
+ATOM    792  N   LEU A  88       3.259  10.902  -0.170  1.00  0.50           N
793 
+ATOM    793  CA  LEU A  88       4.552  10.348  -0.662  1.00  0.52           C
794 
+ATOM    794  C   LEU A  88       5.728  11.146  -0.093  1.00  0.56           C
795 
+ATOM    795  O   LEU A  88       5.984  12.263  -0.495  1.00  0.80           O
796 
+ATOM    796  CB  LEU A  88       4.558  10.413  -2.173  1.00  0.59           C
797 
+ATOM    797  CG  LEU A  88       3.653   9.297  -2.669  1.00  0.82           C
798 
+ATOM    798  CD1 LEU A  88       2.691   9.851  -3.697  1.00  0.94           C
799 
+ATOM    799  CD2 LEU A  88       4.496   8.193  -3.286  1.00  1.57           C
800 
+ATOM    800  H01 LEU A  88       2.844  11.696  -0.636  1.00  0.50           H
801 
+ATOM    801  N   SER A  89       6.445  10.581   0.841  1.00  0.55           N
802 
+ATOM    802  CA  SER A  89       7.604  11.308   1.435  1.00  0.62           C
803 
+ATOM    803  C   SER A  89       8.908  10.659   0.968  1.00  0.85           C
804 
+ATOM    804  O   SER A  89       8.935   9.445   0.852  1.00  1.41           O
805 
+ATOM    805  CB  SER A  89       7.520  11.241   2.961  1.00  0.87           C
806 
+ATOM    806  OG  SER A  89       7.246  12.538   3.473  1.00  1.64           O
807 
+ATOM    807  OXT SER A  89       9.859  11.388   0.735  1.00  1.52           O1-
808 
+ATOM    808  H01 SER A  89       6.215   9.651   1.161  1.00  0.55           H
809 
+TER
810 
+END

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+ 1327 - 0
data/test.pdb