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si264
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era-directed-evolution

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  25. data/ParD3/fitness_landscape/ParD3.csv +0 -0
  26. data/ParD3/scale2max/ParD3.csv +0 -0
  27. data/Stability/Processed_K50_dG_datasets/.DS_Store +0 -0
  28. data/Stability/Processed_K50_dG_datasets/Tsuboyama2023_Dataset1_20230416.csv +3 -0
  29. data/Stability/Processed_K50_dG_datasets/Tsuboyama2023_Dataset2_Dataset3_20230416.csv +3 -0
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  35. data/TrpB/fitness_landscape/TrpB3A.csv +0 -0
  36. data/TrpB/fitness_landscape/TrpB3B.csv +0 -0
  37. data/TrpB/fitness_landscape/TrpB3C.csv +0 -0
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  43. data/TrpB/fitness_landscape/TrpB3I.csv +0 -0
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  45. data/TrpB/scale2max/TrpB3A.csv +0 -0
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  49. data/TrpB/scale2max/TrpB3E.csv +0 -0
  50. data/TrpB/scale2max/TrpB3F.csv +0 -0
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+ >2GI9_1|Chain A|Immunoglobulin B1 binding domain of protein G|Staphylococcus aureus (1280)
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1
+ HEADER IMMUNE SYSTEM, PROTEIN BINDING 28-MAR-06 2GI9
2
+ TITLE BACKBONE CONFORMATIONAL CONSTRAINTS IN A MICROCRYSTALLINE U-
3
+ TITLE 2 15N-LABELED PROTEIN BY 3D DIPOLAR-SHIFT SOLID-STATE NMR
4
+ TITLE 3 SPECTROSCOPY
5
+ COMPND MOL_ID: 1;
6
+ COMPND 2 MOLECULE: IMMUNOGLOBULIN B1 BINDING DOMAIN OF PROTEIN G;
7
+ COMPND 3 CHAIN: A;
8
+ COMPND 4 SYNONYM: IGG BINDING PROTEIN G;
9
+ COMPND 5 ENGINEERED: YES;
10
+ COMPND 6 MUTATION: YES
11
+ SOURCE MOL_ID: 1;
12
+ SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS;
13
+ SOURCE 3 ORGANISM_TAXID: 1280;
14
+ SOURCE 4 GENE: SPG;
15
+ SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
16
+ SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
17
+ KEYWDS GB1, IMMUNE SYSTEM, PROTEIN BINDING
18
+ EXPDTA X-RAY DIFFRACTION
19
+ AUTHOR W.T.FRANKS,B.J.WYLIE,S.A.STELLFOX,C.M.RIENSTRA
20
+ REVDAT 4 29-DEC-09 2GI9 1 EXPDTA REMARK
21
+ REVDAT 3 24-FEB-09 2GI9 1 VERSN
22
+ REVDAT 2 06-JUN-06 2GI9 1 COMPND HEADER
23
+ REVDAT 1 25-APR-06 2GI9 0
24
+ JRNL AUTH W.T.FRANKS,B.J.WYLIE,S.A.STELLFOX,C.M.RIENSTRA
25
+ JRNL TITL BACKBONE CONFORMATIONAL CONSTRAINTS IN A
26
+ JRNL TITL 2 MICROCRYSTALLINE U-15N-LABELED PROTEIN BY 3D
27
+ JRNL TITL 3 DIPOLAR-SHIFT SOLID-STATE NMR SPECTROSCOPY
28
+ JRNL REF J.AM.CHEM.SOC. V. 128 3154 2006
29
+ JRNL REFN ISSN 0002-7863
30
+ JRNL PMID 16522090
31
+ JRNL DOI 10.1021/JA058292X
32
+ REMARK 1
33
+ REMARK 2
34
+ REMARK 2 RESOLUTION. 1.14 ANGSTROMS.
35
+ REMARK 3
36
+ REMARK 3 REFINEMENT.
37
+ REMARK 3 PROGRAM : SHELXL-97
38
+ REMARK 3 AUTHORS : G.M.SHELDRICK
39
+ REMARK 3
40
+ REMARK 3 DATA USED IN REFINEMENT.
41
+ REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.14
42
+ REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 50.00
43
+ REMARK 3 DATA CUTOFF (SIGMA(F)) : 4.000
44
+ REMARK 3 COMPLETENESS FOR RANGE (%) : 94.6
45
+ REMARK 3 CROSS-VALIDATION METHOD : FREE R
46
+ REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
47
+ REMARK 3
48
+ REMARK 3 FIT TO DATA USED IN REFINEMENT (NO CUTOFF).
49
+ REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.193
50
+ REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.167
51
+ REMARK 3 FREE R VALUE (NO CUTOFF) : 0.181
52
+ REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 0.000
53
+ REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 787
54
+ REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 16502
55
+ REMARK 3
56
+ REMARK 3 FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F).
57
+ REMARK 3 R VALUE (WORKING + TEST SET, F>4SIG(F)) : 0.190
58
+ REMARK 3 R VALUE (WORKING SET, F>4SIG(F)) : NULL
59
+ REMARK 3 FREE R VALUE (F>4SIG(F)) : NULL
60
+ REMARK 3 FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : 0.000
61
+ REMARK 3 FREE R VALUE TEST SET COUNT (F>4SIG(F)) : NULL
62
+ REMARK 3 TOTAL NUMBER OF REFLECTIONS (F>4SIG(F)) : 15760
63
+ REMARK 3
64
+ REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
65
+ REMARK 3 PROTEIN ATOMS : 438
66
+ REMARK 3 NUCLEIC ACID ATOMS : 0
67
+ REMARK 3 HETEROGEN ATOMS : 0
68
+ REMARK 3 SOLVENT ATOMS : 119
69
+ REMARK 3
70
+ REMARK 3 MODEL REFINEMENT.
71
+ REMARK 3 OCCUPANCY SUM OF NON-HYDROGEN ATOMS : 557.00
72
+ REMARK 3 OCCUPANCY SUM OF HYDROGEN ATOMS : 0.00
73
+ REMARK 3 NUMBER OF DISCRETELY DISORDERED RESIDUES : 0
74
+ REMARK 3 NUMBER OF LEAST-SQUARES PARAMETERS : 3
75
+ REMARK 3 NUMBER OF RESTRAINTS : 1803
76
+ REMARK 3
77
+ REMARK 3 RMS DEVIATIONS FROM RESTRAINT TARGET VALUES.
78
+ REMARK 3 BOND LENGTHS (A) : 0.013
79
+ REMARK 3 ANGLE DISTANCES (A) : 0.030
80
+ REMARK 3 SIMILAR DISTANCES (NO TARGET VALUES) (A) : 0.000
81
+ REMARK 3 DISTANCES FROM RESTRAINT PLANES (A) : 0.031
82
+ REMARK 3 ZERO CHIRAL VOLUMES (A**3) : 0.063
83
+ REMARK 3 NON-ZERO CHIRAL VOLUMES (A**3) : 0.084
84
+ REMARK 3 ANTI-BUMPING DISTANCE RESTRAINTS (A) : 0.015
85
+ REMARK 3 RIGID-BOND ADP COMPONENTS (A**2) : 0.000
86
+ REMARK 3 SIMILAR ADP COMPONENTS (A**2) : 0.075
87
+ REMARK 3 APPROXIMATELY ISOTROPIC ADPS (A**2) : 0.000
88
+ REMARK 3
89
+ REMARK 3 BULK SOLVENT MODELING.
90
+ REMARK 3 METHOD USED: NULL
91
+ REMARK 3
92
+ REMARK 3 STEREOCHEMISTRY TARGET VALUES : ENGH AND HUBER
93
+ REMARK 3 SPECIAL CASE: NULL
94
+ REMARK 3
95
+ REMARK 3 OTHER REFINEMENT REMARKS: NULL
96
+ REMARK 4
97
+ REMARK 4 2GI9 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
98
+ REMARK 100
99
+ REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-MAR-06.
100
+ REMARK 100 THE RCSB ID CODE IS RCSB037151.
101
+ REMARK 200
102
+ REMARK 200 EXPERIMENTAL DETAILS
103
+ REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
104
+ REMARK 200 DATE OF DATA COLLECTION : 01-NOV-05
105
+ REMARK 200 TEMPERATURE (KELVIN) : NULL
106
+ REMARK 200 PH : 4.50
107
+ REMARK 200 NUMBER OF CRYSTALS USED : 1
108
+ REMARK 200
109
+ REMARK 200 SYNCHROTRON (Y/N) : Y
110
+ REMARK 200 RADIATION SOURCE : NSLS
111
+ REMARK 200 BEAMLINE : X12C
112
+ REMARK 200 X-RAY GENERATOR MODEL : NULL
113
+ REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
114
+ REMARK 200 WAVELENGTH OR RANGE (A) : 0.9791
115
+ REMARK 200 MONOCHROMATOR : NULL
116
+ REMARK 200 OPTICS : NULL
117
+ REMARK 200
118
+ REMARK 200 DETECTOR TYPE : CCD
119
+ REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 210
120
+ REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000
121
+ REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
122
+ REMARK 200
123
+ REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 16662
124
+ REMARK 200 RESOLUTION RANGE HIGH (A) : 1.140
125
+ REMARK 200 RESOLUTION RANGE LOW (A) : 50.000
126
+ REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
127
+ REMARK 200
128
+ REMARK 200 OVERALL.
129
+ REMARK 200 COMPLETENESS FOR RANGE (%) : 96.3
130
+ REMARK 200 DATA REDUNDANCY : NULL
131
+ REMARK 200 R MERGE (I) : NULL
132
+ REMARK 200 R SYM (I) : NULL
133
+ REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
134
+ REMARK 200
135
+ REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
136
+ REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
137
+ REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL
138
+ REMARK 200 COMPLETENESS FOR SHELL (%) : NULL
139
+ REMARK 200 DATA REDUNDANCY IN SHELL : NULL
140
+ REMARK 200 R MERGE FOR SHELL (I) : NULL
141
+ REMARK 200 R SYM FOR SHELL (I) : NULL
142
+ REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
143
+ REMARK 200
144
+ REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
145
+ REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: AB INITIO
146
+ REMARK 200 SOFTWARE USED: SHELX
147
+ REMARK 200 STARTING MODEL: NULL
148
+ REMARK 200
149
+ REMARK 200 REMARK: NULL
150
+ REMARK 280
151
+ REMARK 280 CRYSTAL
152
+ REMARK 280 SOLVENT CONTENT, VS (%): 36.00
153
+ REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.92
154
+ REMARK 280
155
+ REMARK 280 CRYSTALLIZATION CONDITIONS: 5MM ACETATE 3.8, 150MM NACL, 50%
156
+ REMARK 280 MPD AND 20% IPA, PH 4.5
157
+ REMARK 290
158
+ REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
159
+ REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21
160
+ REMARK 290
161
+ REMARK 290 SYMOP SYMMETRY
162
+ REMARK 290 NNNMMM OPERATOR
163
+ REMARK 290 1555 X,Y,Z
164
+ REMARK 290 2555 -X+1/2,-Y,Z+1/2
165
+ REMARK 290 3555 -X,Y+1/2,-Z+1/2
166
+ REMARK 290 4555 X+1/2,-Y+1/2,-Z
167
+ REMARK 290
168
+ REMARK 290 WHERE NNN -> OPERATOR NUMBER
169
+ REMARK 290 MMM -> TRANSLATION VECTOR
170
+ REMARK 290
171
+ REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
172
+ REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
173
+ REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
174
+ REMARK 290 RELATED MOLECULES.
175
+ REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
176
+ REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
177
+ REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
178
+ REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 12.59850
179
+ REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
180
+ REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 25.13700
181
+ REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
182
+ REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 18.19200
183
+ REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 25.13700
184
+ REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 12.59850
185
+ REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 18.19200
186
+ REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
187
+ REMARK 290
188
+ REMARK 290 REMARK: NULL
189
+ REMARK 300
190
+ REMARK 300 BIOMOLECULE: 1
191
+ REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
192
+ REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
193
+ REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
194
+ REMARK 300 BURIED SURFACE AREA.
195
+ REMARK 350
196
+ REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
197
+ REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
198
+ REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
199
+ REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
200
+ REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
201
+ REMARK 350
202
+ REMARK 350 BIOMOLECULE: 1
203
+ REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
204
+ REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
205
+ REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
206
+ REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
207
+ REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
208
+ REMARK 500
209
+ REMARK 500 GEOMETRY AND STEREOCHEMISTRY
210
+ REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
211
+ REMARK 500
212
+ REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
213
+ REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
214
+ REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
215
+ REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
216
+ REMARK 500
217
+ REMARK 500 STANDARD TABLE:
218
+ REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
219
+ REMARK 500
220
+ REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
221
+ REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
222
+ REMARK 500
223
+ REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
224
+ REMARK 500 LEU A 12 CB - CG - CD2 ANGL. DEV. = 20.2 DEGREES
225
+ REMARK 500 TYR A 45 CB - CG - CD1 ANGL. DEV. = -4.3 DEGREES
226
+ REMARK 500
227
+ REMARK 500 REMARK: NULL
228
+ REMARK 500
229
+ REMARK 500 GEOMETRY AND STEREOCHEMISTRY
230
+ REMARK 500 SUBTOPIC: TORSION ANGLES
231
+ REMARK 500
232
+ REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
233
+ REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
234
+ REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
235
+ REMARK 500
236
+ REMARK 500 STANDARD TABLE:
237
+ REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
238
+ REMARK 500
239
+ REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
240
+ REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
241
+ REMARK 500
242
+ REMARK 500 M RES CSSEQI PSI PHI
243
+ REMARK 500 ASN A 8 65.49 -119.89
244
+ REMARK 500
245
+ REMARK 500 REMARK: NULL
246
+ REMARK 900
247
+ REMARK 900 RELATED ENTRIES
248
+ REMARK 900 RELATED ID: 1PGA RELATED DB: PDB
249
+ REMARK 900 ALTERNATE CRYSTAL STRUCTURE
250
+ DBREF 2GI9 A 1 56 UNP P19909 SPG2_STRSG 303 357
251
+ SEQADV 2GI9 MET A 1 UNP P19909 INITIATING METHIONINE
252
+ SEQADV 2GI9 GLN A 2 UNP P19909 THR 303 ENGINEERED
253
+ SEQRES 1 A 56 MET GLN TYR LYS LEU ILE LEU ASN GLY LYS THR LEU LYS
254
+ SEQRES 2 A 56 GLY GLU THR THR THR GLU ALA VAL ASP ALA ALA THR ALA
255
+ SEQRES 3 A 56 GLU LYS VAL PHE LYS GLN TYR ALA ASN ASP ASN GLY VAL
256
+ SEQRES 4 A 56 ASP GLY GLU TRP THR TYR ASP ASP ALA THR LYS THR PHE
257
+ SEQRES 5 A 56 THR VAL THR GLU
258
+ FORMUL 2 HOH *119(H2 O)
259
+ HELIX 1 1 ASP A 22 ASN A 37 1 16
260
+ SHEET 1 A 4 LYS A 13 GLU A 19 0
261
+ SHEET 2 A 4 GLN A 2 ASN A 8 -1 N LEU A 7 O GLY A 14
262
+ SHEET 3 A 4 THR A 51 THR A 55 1 O PHE A 52 N LYS A 4
263
+ SHEET 4 A 4 GLU A 42 ASP A 46 -1 N GLU A 42 O THR A 55
264
+ CRYST1 25.197 36.384 50.274 90.00 90.00 90.00 P 21 21 21 4
265
+ ORIGX1 1.000000 0.000000 0.000000 0.00000
266
+ ORIGX2 0.000000 1.000000 0.000000 0.00000
267
+ ORIGX3 0.000000 0.000000 1.000000 0.00000
268
+ SCALE1 0.039687 0.000000 0.000000 0.00000
269
+ SCALE2 0.000000 0.027485 0.000000 0.00000
270
+ SCALE3 0.000000 0.000000 0.019891 0.00000
271
+ ATOM 1 N MET A 1 -3.196 1.028 3.237 1.00 11.23 N
272
+ ATOM 2 CA MET A 1 -1.853 1.151 2.697 1.00 11.36 C
273
+ ATOM 3 C MET A 1 -0.920 0.356 3.619 1.00 8.69 C
274
+ ATOM 4 O MET A 1 -1.157 0.273 4.824 1.00 9.35 O
275
+ ATOM 5 CB MET A 1 -1.373 2.593 2.638 1.00 12.09 C
276
+ ATOM 6 CG MET A 1 -1.883 3.426 1.462 1.00 13.03 C
277
+ ATOM 7 SD MET A 1 -1.535 5.179 1.554 1.00 14.34 S
278
+ ATOM 8 CE MET A 1 -1.135 5.595 -0.135 1.00 51.28 C
279
+ ATOM 9 N GLN A 2 0.165 -0.134 3.039 1.00 8.55 N
280
+ ATOM 10 CA GLN A 2 1.202 -0.791 3.790 1.00 8.84 C
281
+ ATOM 11 C GLN A 2 2.312 0.162 4.176 1.00 7.79 C
282
+ ATOM 12 O GLN A 2 2.858 0.848 3.306 1.00 10.49 O
283
+ ATOM 13 CB GLN A 2 1.823 -1.904 2.959 1.00 9.84 C
284
+ ATOM 14 CG GLN A 2 2.990 -2.568 3.680 1.00 17.51 C
285
+ ATOM 15 CD GLN A 2 3.677 -3.618 2.814 1.00 23.39 C
286
+ ATOM 16 OE1 GLN A 2 4.407 -3.339 1.859 1.00 27.12 O
287
+ ATOM 17 NE2 GLN A 2 3.430 -4.861 3.165 1.00 25.92 N
288
+ ATOM 18 N TYR A 3 2.645 0.231 5.436 1.00 7.94 N
289
+ ATOM 19 CA TYR A 3 3.666 1.070 6.020 1.00 7.33 C
290
+ ATOM 20 C TYR A 3 4.789 0.240 6.615 1.00 7.67 C
291
+ ATOM 21 O TYR A 3 4.556 -0.895 7.029 1.00 8.25 O
292
+ ATOM 22 CB TYR A 3 3.099 1.992 7.116 1.00 7.55 C
293
+ ATOM 23 CG TYR A 3 2.027 2.922 6.628 1.00 7.88 C
294
+ ATOM 24 CD1 TYR A 3 0.703 2.537 6.528 1.00 7.75 C
295
+ ATOM 25 CD2 TYR A 3 2.343 4.220 6.236 1.00 7.99 C
296
+ ATOM 26 CE1 TYR A 3 -0.257 3.404 6.075 1.00 9.18 C
297
+ ATOM 27 CE2 TYR A 3 1.388 5.103 5.779 1.00 9.05 C
298
+ ATOM 28 CZ TYR A 3 0.089 4.685 5.700 1.00 8.32 C
299
+ ATOM 29 OH TYR A 3 -0.906 5.511 5.250 1.00 11.59 O
300
+ ATOM 30 N LYS A 4 5.968 0.830 6.647 1.00 7.48 N
301
+ ATOM 31 CA LYS A 4 7.152 0.187 7.222 1.00 8.61 C
302
+ ATOM 32 C LYS A 4 7.604 0.928 8.456 1.00 7.37 C
303
+ ATOM 33 O LYS A 4 7.466 2.180 8.503 1.00 7.83 O
304
+ ATOM 34 CB LYS A 4 8.308 0.222 6.206 1.00 10.35 C
305
+ ATOM 35 CG LYS A 4 9.641 -0.193 6.784 1.00 28.79 C
306
+ ATOM 36 CD LYS A 4 10.621 -0.822 5.809 1.00 37.34 C
307
+ ATOM 37 CE LYS A 4 11.707 0.145 5.367 1.00 37.02 C
308
+ ATOM 38 NZ LYS A 4 12.221 -0.208 4.004 1.00 39.26 N
309
+ ATOM 39 N LEU A 5 8.136 0.270 9.444 1.00 7.81 N
310
+ ATOM 40 CA LEU A 5 8.811 0.814 10.580 1.00 6.42 C
311
+ ATOM 41 C LEU A 5 10.230 0.268 10.662 1.00 7.07 C
312
+ ATOM 42 O LEU A 5 10.406 -0.957 10.666 1.00 9.14 O
313
+ ATOM 43 CB LEU A 5 8.085 0.442 11.884 1.00 7.19 C
314
+ ATOM 44 CG LEU A 5 8.798 0.887 13.172 1.00 6.98 C
315
+ ATOM 45 CD1 LEU A 5 8.892 2.383 13.275 1.00 9.02 C
316
+ ATOM 46 CD2 LEU A 5 8.075 0.262 14.381 1.00 9.34 C
317
+ ATOM 47 N ILE A 6 11.183 1.198 10.721 1.00 6.95 N
318
+ ATOM 48 CA ILE A 6 12.563 0.815 10.982 1.00 7.85 C
319
+ ATOM 49 C ILE A 6 12.897 1.182 12.430 1.00 7.27 C
320
+ ATOM 50 O ILE A 6 12.737 2.345 12.822 1.00 8.55 O
321
+ ATOM 51 CB ILE A 6 13.523 1.508 10.010 1.00 9.06 C
322
+ ATOM 52 CG1 ILE A 6 13.219 1.165 8.544 1.00 9.03 C
323
+ ATOM 53 CG2 ILE A 6 14.958 1.148 10.358 1.00 10.92 C
324
+ ATOM 54 CD1 ILE A 6 13.936 2.115 7.608 1.00 17.01 C
325
+ ATOM 55 N LEU A 7 13.330 0.191 13.188 1.00 7.56 N
326
+ ATOM 56 CA LEU A 7 13.695 0.395 14.580 1.00 8.56 C
327
+ ATOM 57 C LEU A 7 15.221 0.404 14.709 1.00 7.46 C
328
+ ATOM 58 O LEU A 7 15.908 -0.521 14.242 1.00 9.05 O
329
+ ATOM 59 CB LEU A 7 13.130 -0.647 15.511 1.00 10.09 C
330
+ ATOM 60 CG LEU A 7 11.585 -0.776 15.463 1.00 9.17 C
331
+ ATOM 61 CD1 LEU A 7 11.257 -1.954 14.560 1.00 9.12 C
332
+ ATOM 62 CD2 LEU A 7 11.002 -0.906 16.858 1.00 10.89 C
333
+ ATOM 63 N ASN A 8 15.712 1.473 15.297 1.00 7.78 N
334
+ ATOM 64 CA ASN A 8 17.097 1.557 15.696 1.00 9.68 C
335
+ ATOM 65 C ASN A 8 17.152 1.767 17.197 1.00 8.47 C
336
+ ATOM 66 O ASN A 8 17.573 2.833 17.676 1.00 9.00 O
337
+ ATOM 67 CB ASN A 8 17.892 2.653 14.970 1.00 10.76 C
338
+ ATOM 68 CG ASN A 8 19.364 2.563 15.301 1.00 15.08 C
339
+ ATOM 69 OD1 ASN A 8 19.861 1.518 15.764 1.00 24.84 O
340
+ ATOM 70 ND2 ASN A 8 20.201 3.612 15.133 1.00 15.92 N
341
+ ATOM 71 N GLY A 9 16.706 0.778 17.953 1.00 9.39 N
342
+ ATOM 72 CA GLY A 9 16.747 0.840 19.387 1.00 8.91 C
343
+ ATOM 73 C GLY A 9 18.097 0.363 19.927 1.00 9.29 C
344
+ ATOM 74 O GLY A 9 18.946 -0.186 19.217 1.00 9.54 O
345
+ ATOM 75 N LYS A 10 18.324 0.593 21.196 1.00 9.06 N
346
+ ATOM 76 CA LYS A 10 19.521 0.131 21.867 1.00 9.26 C
347
+ ATOM 77 C LYS A 10 19.614 -1.394 21.847 1.00 8.93 C
348
+ ATOM 78 O LYS A 10 20.712 -1.947 21.684 1.00 10.49 O
349
+ ATOM 79 CB LYS A 10 19.575 0.623 23.301 1.00 13.97 C
350
+ ATOM 80 CG LYS A 10 19.943 2.098 23.431 1.00 20.47 C
351
+ ATOM 81 CD LYS A 10 19.441 2.623 24.773 1.00 39.22 C
352
+ ATOM 82 CE LYS A 10 20.530 2.573 25.834 1.00 38.01 C
353
+ ATOM 83 NZ LYS A 10 20.545 3.805 26.674 1.00 58.03 N
354
+ ATOM 84 N THR A 11 18.489 -2.045 22.032 1.00 8.92 N
355
+ ATOM 85 CA THR A 11 18.308 -3.468 22.155 1.00 8.63 C
356
+ ATOM 86 C THR A 11 17.686 -4.125 20.957 1.00 8.05 C
357
+ ATOM 87 O THR A 11 18.118 -5.208 20.488 1.00 9.25 O
358
+ ATOM 88 CB THR A 11 17.366 -3.651 23.434 1.00 14.76 C
359
+ ATOM 89 OG1 THR A 11 18.075 -3.095 24.518 1.00 25.92 O
360
+ ATOM 90 CG2 THR A 11 17.113 -5.126 23.617 1.00 34.00 C
361
+ ATOM 91 N LEU A 12 16.659 -3.478 20.413 1.00 8.24 N
362
+ ATOM 92 CA LEU A 12 15.851 -4.001 19.321 1.00 8.15 C
363
+ ATOM 93 C LEU A 12 16.135 -3.180 18.087 1.00 6.75 C
364
+ ATOM 94 O LEU A 12 15.892 -1.970 18.089 1.00 7.40 O
365
+ ATOM 95 CB LEU A 12 14.350 -3.898 19.626 1.00 8.97 C
366
+ ATOM 96 CG LEU A 12 13.389 -4.427 18.559 1.00 7.59 C
367
+ ATOM 97 CD1 LEU A 12 11.946 -4.253 19.086 1.00 9.74 C
368
+ ATOM 98 CD2 LEU A 12 13.172 -4.012 17.101 1.00 48.67 C
369
+ ATOM 99 N LYS A 13 16.530 -3.833 17.010 1.00 6.96 N
370
+ ATOM 100 CA LYS A 13 16.780 -3.203 15.737 1.00 7.31 C
371
+ ATOM 101 C LYS A 13 16.101 -4.009 14.664 1.00 8.82 C
372
+ ATOM 102 O LYS A 13 15.991 -5.240 14.731 1.00 10.00 O
373
+ ATOM 103 CB LYS A 13 18.292 -3.159 15.475 1.00 8.21 C
374
+ ATOM 104 CG LYS A 13 19.049 -2.301 16.478 1.00 7.44 C
375
+ ATOM 105 CD LYS A 13 20.546 -2.414 16.256 1.00 10.27 C
376
+ ATOM 106 CE LYS A 13 21.398 -1.585 17.195 1.00 10.75 C
377
+ ATOM 107 NZ LYS A 13 21.140 -1.892 18.626 1.00 9.57 N
378
+ ATOM 108 N GLY A 14 15.640 -3.348 13.603 1.00 9.15 N
379
+ ATOM 109 CA GLY A 14 15.159 -4.103 12.441 1.00 10.63 C
380
+ ATOM 110 C GLY A 14 13.986 -3.426 11.787 1.00 8.72 C
381
+ ATOM 111 O GLY A 14 13.813 -2.189 11.874 1.00 10.18 O
382
+ ATOM 112 N GLU A 15 13.135 -4.180 11.122 1.00 8.18 N
383
+ ATOM 113 CA GLU A 15 12.064 -3.641 10.305 1.00 9.89 C
384
+ ATOM 114 C GLU A 15 10.805 -4.451 10.497 1.00 10.81 C
385
+ ATOM 115 O GLU A 15 10.876 -5.725 10.610 1.00 12.82 O
386
+ ATOM 116 CB GLU A 15 12.481 -3.665 8.848 1.00 13.98 C
387
+ ATOM 117 CG GLU A 15 13.699 -2.889 8.417 1.00 28.55 C
388
+ ATOM 118 CD GLU A 15 13.904 -2.903 6.902 1.00 35.05 C
389
+ ATOM 119 OE1 GLU A 15 14.563 -1.966 6.404 1.00 30.75 O
390
+ ATOM 120 OE2 GLU A 15 13.427 -3.841 6.220 1.00 29.93 O
391
+ ATOM 121 N THR A 16 9.666 -3.802 10.552 1.00 10.35 N
392
+ ATOM 122 CA THR A 16 8.331 -4.418 10.623 1.00 9.63 C
393
+ ATOM 123 C THR A 16 7.423 -3.610 9.698 1.00 10.12 C
394
+ ATOM 124 O THR A 16 7.771 -2.527 9.173 1.00 10.33 O
395
+ ATOM 125 CB THR A 16 7.825 -4.521 12.058 1.00 13.09 C
396
+ ATOM 126 OG1 THR A 16 7.667 -3.257 12.733 1.00 18.62 O
397
+ ATOM 127 CG2 THR A 16 8.784 -5.334 12.936 1.00 67.58 C
398
+ ATOM 128 N THR A 17 6.216 -4.138 9.482 1.00 10.68 N
399
+ ATOM 129 CA THR A 17 5.246 -3.527 8.586 1.00 11.93 C
400
+ ATOM 130 C THR A 17 3.876 -3.523 9.259 1.00 9.39 C
401
+ ATOM 131 O THR A 17 3.603 -4.276 10.201 1.00 11.52 O
402
+ ATOM 132 CB THR A 17 5.119 -4.195 7.202 1.00 12.62 C
403
+ ATOM 133 OG1 THR A 17 4.557 -5.508 7.413 1.00 17.52 O
404
+ ATOM 134 CG2 THR A 17 6.442 -4.341 6.485 1.00 16.40 C
405
+ ATOM 135 N THR A 18 2.946 -2.723 8.808 1.00 9.65 N
406
+ ATOM 136 CA THR A 18 1.552 -2.803 9.206 1.00 11.54 C
407
+ ATOM 137 C THR A 18 0.715 -2.241 8.073 1.00 9.43 C
408
+ ATOM 138 O THR A 18 1.190 -1.539 7.150 1.00 11.33 O
409
+ ATOM 139 CB THR A 18 1.266 -2.040 10.508 1.00 10.24 C
410
+ ATOM 140 OG1 THR A 18 0.019 -2.474 11.098 1.00 12.48 O
411
+ ATOM 141 CG2 THR A 18 1.089 -0.545 10.295 1.00 11.95 C
412
+ ATOM 142 N GLU A 19 -0.576 -2.525 8.041 1.00 8.85 N
413
+ ATOM 143 CA GLU A 19 -1.527 -1.997 7.109 1.00 9.80 C
414
+ ATOM 144 C GLU A 19 -2.482 -1.042 7.844 1.00 11.03 C
415
+ ATOM 145 O GLU A 19 -3.030 -1.438 8.891 1.00 14.41 O
416
+ ATOM 146 CB GLU A 19 -2.414 -3.057 6.476 1.00 15.69 C
417
+ ATOM 147 CG GLU A 19 -3.532 -2.407 5.647 1.00 31.35 C
418
+ ATOM 148 CD GLU A 19 -4.171 -3.405 4.693 1.00 35.90 C
419
+ ATOM 149 OE1 GLU A 19 -3.712 -4.565 4.644 1.00 40.11 O
420
+ ATOM 150 OE2 GLU A 19 -5.139 -3.036 3.986 1.00 38.67 O
421
+ ATOM 151 N ALA A 20 -2.657 0.161 7.348 1.00 10.06 N
422
+ ATOM 152 CA ALA A 20 -3.488 1.137 7.993 1.00 11.42 C
423
+ ATOM 153 C ALA A 20 -4.084 2.065 6.964 1.00 11.11 C
424
+ ATOM 154 O ALA A 20 -3.600 2.219 5.853 1.00 11.23 O
425
+ ATOM 155 CB ALA A 20 -2.688 1.934 9.018 1.00 11.48 C
426
+ ATOM 156 N VAL A 21 -5.220 2.691 7.297 1.00 11.75 N
427
+ ATOM 157 CA VAL A 21 -5.926 3.570 6.370 1.00 13.05 C
428
+ ATOM 158 C VAL A 21 -5.135 4.831 6.044 1.00 13.74 C
429
+ ATOM 159 O VAL A 21 -5.266 5.364 4.955 1.00 14.15 O
430
+ ATOM 160 CB VAL A 21 -7.334 4.058 6.794 1.00 17.83 C
431
+ ATOM 161 CG1 VAL A 21 -8.332 2.994 6.383 1.00 47.75 C
432
+ ATOM 162 CG2 VAL A 21 -7.462 4.459 8.257 1.00 17.26 C
433
+ ATOM 163 N ASP A 22 -4.341 5.322 6.968 1.00 10.23 N
434
+ ATOM 164 CA ASP A 22 -3.569 6.526 6.726 1.00 9.19 C
435
+ ATOM 165 C ASP A 22 -2.368 6.548 7.630 1.00 9.25 C
436
+ ATOM 166 O ASP A 22 -2.205 5.684 8.497 1.00 9.67 O
437
+ ATOM 167 CB ASP A 22 -4.464 7.762 6.837 1.00 10.65 C
438
+ ATOM 168 CG ASP A 22 -4.918 8.136 8.213 1.00 10.33 C
439
+ ATOM 169 OD1 ASP A 22 -4.698 7.439 9.183 1.00 11.18 O
440
+ ATOM 170 OD2 ASP A 22 -5.537 9.255 8.336 1.00 14.51 O
441
+ ATOM 171 N ALA A 23 -1.519 7.560 7.489 1.00 9.49 N
442
+ ATOM 172 CA ALA A 23 -0.267 7.607 8.236 1.00 10.07 C
443
+ ATOM 173 C ALA A 23 -0.527 7.848 9.703 1.00 12.85 C
444
+ ATOM 174 O ALA A 23 0.199 7.261 10.535 1.00 9.53 O
445
+ ATOM 175 CB ALA A 23 0.658 8.677 7.641 1.00 11.08 C
446
+ ATOM 176 N ALA A 24 -1.474 8.702 10.099 1.00 10.47 N
447
+ ATOM 177 CA ALA A 24 -1.716 8.956 11.516 1.00 10.91 C
448
+ ATOM 178 C ALA A 24 -2.129 7.669 12.190 1.00 9.07 C
449
+ ATOM 179 O ALA A 24 -1.747 7.406 13.332 1.00 10.28 O
450
+ ATOM 180 CB ALA A 24 -2.778 10.052 11.645 1.00 17.22 C
451
+ ATOM 181 N THR A 25 -2.903 6.841 11.487 1.00 8.66 N
452
+ ATOM 182 CA THR A 25 -3.294 5.556 12.064 1.00 10.19 C
453
+ ATOM 183 C THR A 25 -2.095 4.638 12.215 1.00 8.55 C
454
+ ATOM 184 O THR A 25 -1.886 4.003 13.246 1.00 9.26 O
455
+ ATOM 185 CB THR A 25 -4.371 4.886 11.162 1.00 9.94 C
456
+ ATOM 186 OG1 THR A 25 -5.561 5.713 11.138 1.00 13.03 O
457
+ ATOM 187 CG2 THR A 25 -4.765 3.528 11.707 1.00 13.23 C
458
+ ATOM 188 N ALA A 26 -1.282 4.528 11.157 1.00 8.16 N
459
+ ATOM 189 CA ALA A 26 -0.108 3.673 11.205 1.00 7.89 C
460
+ ATOM 190 C ALA A 26 0.811 4.152 12.325 1.00 7.61 C
461
+ ATOM 191 O ALA A 26 1.429 3.312 13.000 1.00 8.46 O
462
+ ATOM 192 CB ALA A 26 0.638 3.716 9.907 1.00 9.22 C
463
+ ATOM 193 N GLU A 27 0.950 5.454 12.484 1.00 7.97 N
464
+ ATOM 194 CA GLU A 27 1.812 5.944 13.541 1.00 9.12 C
465
+ ATOM 195 C GLU A 27 1.408 5.453 14.914 1.00 8.40 C
466
+ ATOM 196 O GLU A 27 2.259 5.033 15.708 1.00 9.35 O
467
+ ATOM 197 CB GLU A 27 1.801 7.480 13.556 1.00 9.72 C
468
+ ATOM 198 CG GLU A 27 2.945 7.954 14.472 1.00 13.26 C
469
+ ATOM 199 CD GLU A 27 3.000 9.457 14.528 1.00 24.54 C
470
+ ATOM 200 OE1 GLU A 27 2.145 10.093 13.876 1.00 32.54 O
471
+ ATOM 201 OE2 GLU A 27 3.899 9.999 15.218 1.00 32.79 O
472
+ ATOM 202 N LYS A 28 0.103 5.467 15.215 1.00 8.00 N
473
+ ATOM 203 CA LYS A 28 -0.386 4.944 16.487 1.00 8.97 C
474
+ ATOM 204 C LYS A 28 -0.092 3.462 16.644 1.00 8.64 C
475
+ ATOM 205 O LYS A 28 0.323 3.008 17.724 1.00 9.25 O
476
+ ATOM 206 CB LYS A 28 -1.877 5.202 16.632 1.00 9.29 C
477
+ ATOM 207 CG LYS A 28 -2.091 6.672 16.965 1.00 14.47 C
478
+ ATOM 208 CD LYS A 28 -2.757 7.522 15.921 1.00 44.57 C
479
+ ATOM 209 CE LYS A 28 -2.280 8.948 15.842 1.00 52.92 C
480
+ ATOM 210 NZ LYS A 28 -0.992 9.242 15.152 1.00 19.14 N
481
+ ATOM 211 N VAL A 29 -0.279 2.681 15.581 1.00 8.04 N
482
+ ATOM 212 CA VAL A 29 -0.007 1.262 15.639 1.00 8.60 C
483
+ ATOM 213 C VAL A 29 1.466 1.038 15.922 1.00 6.49 C
484
+ ATOM 214 O VAL A 29 1.825 0.192 16.767 1.00 8.15 O
485
+ ATOM 215 CB VAL A 29 -0.463 0.583 14.342 1.00 8.67 C
486
+ ATOM 216 CG1 VAL A 29 -0.038 -0.899 14.267 1.00 12.34 C
487
+ ATOM 217 CG2 VAL A 29 -1.964 0.668 14.180 1.00 10.74 C
488
+ ATOM 218 N PHE A 30 2.343 1.723 15.202 1.00 7.05 N
489
+ ATOM 219 CA PHE A 30 3.778 1.566 15.399 1.00 6.33 C
490
+ ATOM 220 C PHE A 30 4.264 2.087 16.721 1.00 6.96 C
491
+ ATOM 221 O PHE A 30 5.197 1.483 17.291 1.00 7.17 O
492
+ ATOM 222 CB PHE A 30 4.546 2.221 14.231 1.00 6.85 C
493
+ ATOM 223 CG PHE A 30 4.524 1.404 12.941 1.00 6.50 C
494
+ ATOM 224 CD1 PHE A 30 4.532 0.028 12.886 1.00 6.88 C
495
+ ATOM 225 CD2 PHE A 30 4.531 2.099 11.744 1.00 7.16 C
496
+ ATOM 226 CE1 PHE A 30 4.590 -0.657 11.682 1.00 8.07 C
497
+ ATOM 227 CE2 PHE A 30 4.574 1.432 10.551 1.00 8.38 C
498
+ ATOM 228 CZ PHE A 30 4.614 0.058 10.509 1.00 8.27 C
499
+ ATOM 229 N LYS A 31 3.707 3.180 17.231 1.00 7.49 N
500
+ ATOM 230 CA LYS A 31 4.121 3.639 18.542 1.00 8.42 C
501
+ ATOM 231 C LYS A 31 3.728 2.609 19.597 1.00 6.70 C
502
+ ATOM 232 O LYS A 31 4.499 2.400 20.534 1.00 8.39 O
503
+ ATOM 233 CB LYS A 31 3.521 5.033 18.840 1.00 11.46 C
504
+ ATOM 234 CG LYS A 31 4.407 6.090 18.186 1.00 17.58 C
505
+ ATOM 235 CD LYS A 31 4.865 7.104 19.215 1.00 37.39 C
506
+ ATOM 236 CE LYS A 31 5.692 8.232 18.631 1.00 38.60 C
507
+ ATOM 237 NZ LYS A 31 5.366 8.534 17.214 1.00 28.20 N
508
+ ATOM 238 N GLN A 32 2.570 1.986 19.467 1.00 7.79 N
509
+ ATOM 239 CA GLN A 32 2.262 0.875 20.385 1.00 7.66 C
510
+ ATOM 240 C GLN A 32 3.213 -0.296 20.213 1.00 7.66 C
511
+ ATOM 241 O GLN A 32 3.637 -0.934 21.201 1.00 9.08 O
512
+ ATOM 242 CB GLN A 32 0.801 0.493 20.187 1.00 8.91 C
513
+ ATOM 243 CG GLN A 32 0.423 -0.716 21.039 1.00 10.57 C
514
+ ATOM 244 CD GLN A 32 -1.069 -0.951 20.901 1.00 11.97 C
515
+ ATOM 245 OE1 GLN A 32 -1.585 -1.141 19.807 1.00 12.79 O
516
+ ATOM 246 NE2 GLN A 32 -1.811 -0.876 22.002 1.00 14.29 N
517
+ ATOM 247 N TYR A 33 3.579 -0.659 18.994 1.00 7.71 N
518
+ ATOM 248 CA TYR A 33 4.522 -1.749 18.776 1.00 8.86 C
519
+ ATOM 249 C TYR A 33 5.825 -1.412 19.467 1.00 6.75 C
520
+ ATOM 250 O TYR A 33 6.408 -2.265 20.121 1.00 8.15 O
521
+ ATOM 251 CB TYR A 33 4.752 -1.968 17.289 1.00 8.84 C
522
+ ATOM 252 CG TYR A 33 5.752 -3.019 16.881 1.00 9.47 C
523
+ ATOM 253 CD1 TYR A 33 5.331 -4.336 16.623 1.00 9.26 C
524
+ ATOM 254 CD2 TYR A 33 7.104 -2.738 16.756 1.00 9.99 C
525
+ ATOM 255 CE1 TYR A 33 6.230 -5.295 16.260 1.00 12.16 C
526
+ ATOM 256 CE2 TYR A 33 8.010 -3.710 16.380 1.00 12.37 C
527
+ ATOM 257 CZ TYR A 33 7.568 -4.992 16.128 1.00 11.78 C
528
+ ATOM 258 OH TYR A 33 8.533 -5.905 15.747 1.00 12.70 O
529
+ ATOM 259 N ALA A 34 6.330 -0.189 19.299 1.00 7.38 N
530
+ ATOM 260 CA ALA A 34 7.609 0.183 19.913 1.00 7.48 C
531
+ ATOM 261 C ALA A 34 7.494 0.126 21.415 1.00 8.42 C
532
+ ATOM 262 O ALA A 34 8.361 -0.478 22.068 1.00 8.50 O
533
+ ATOM 263 CB ALA A 34 8.036 1.553 19.410 1.00 8.60 C
534
+ ATOM 264 N ASN A 35 6.433 0.681 21.962 1.00 8.35 N
535
+ ATOM 265 CA ASN A 35 6.266 0.646 23.404 1.00 8.74 C
536
+ ATOM 266 C ASN A 35 6.198 -0.756 23.951 1.00 8.56 C
537
+ ATOM 267 O ASN A 35 6.837 -1.131 24.980 1.00 8.52 O
538
+ ATOM 268 CB ASN A 35 4.960 1.409 23.762 1.00 12.00 C
539
+ ATOM 269 CG ASN A 35 5.325 2.727 24.417 1.00 38.16 C
540
+ ATOM 270 OD1 ASN A 35 4.923 3.034 25.537 1.00 73.79 O
541
+ ATOM 271 ND2 ASN A 35 6.130 3.463 23.670 1.00 26.37 N
542
+ ATOM 272 N ASP A 36 5.419 -1.641 23.313 1.00 8.18 N
543
+ ATOM 273 CA ASP A 36 5.253 -3.011 23.728 1.00 7.60 C
544
+ ATOM 274 C ASP A 36 6.546 -3.804 23.658 1.00 7.80 C
545
+ ATOM 275 O ASP A 36 6.643 -4.846 24.334 1.00 8.83 O
546
+ ATOM 276 CB ASP A 36 4.231 -3.783 22.875 1.00 9.62 C
547
+ ATOM 277 CG ASP A 36 2.808 -3.358 23.121 1.00 14.89 C
548
+ ATOM 278 OD1 ASP A 36 2.554 -2.658 24.113 1.00 13.52 O
549
+ ATOM 279 OD2 ASP A 36 1.897 -3.724 22.315 1.00 15.22 O
550
+ ATOM 280 N ASN A 37 7.472 -3.317 22.837 1.00 7.63 N
551
+ ATOM 281 CA ASN A 37 8.777 -3.969 22.716 1.00 7.31 C
552
+ ATOM 282 C ASN A 37 9.866 -3.222 23.461 1.00 8.15 C
553
+ ATOM 283 O ASN A 37 11.062 -3.493 23.300 1.00 9.11 O
554
+ ATOM 284 CB ASN A 37 9.113 -4.161 21.225 1.00 8.58 C
555
+ ATOM 285 CG ASN A 37 8.246 -5.304 20.708 1.00 11.41 C
556
+ ATOM 286 OD1 ASN A 37 8.338 -6.443 21.172 1.00 12.81 O
557
+ ATOM 287 ND2 ASN A 37 7.342 -5.010 19.782 1.00 10.53 N
558
+ ATOM 288 N GLY A 38 9.488 -2.255 24.302 1.00 7.47 N
559
+ ATOM 289 CA GLY A 38 10.469 -1.630 25.178 1.00 8.86 C
560
+ ATOM 290 C GLY A 38 11.242 -0.483 24.608 1.00 7.36 C
561
+ ATOM 291 O GLY A 38 12.199 -0.020 25.259 1.00 8.54 O
562
+ ATOM 292 N VAL A 39 10.873 0.029 23.434 1.00 7.91 N
563
+ ATOM 293 CA VAL A 39 11.590 1.081 22.718 1.00 7.37 C
564
+ ATOM 294 C VAL A 39 10.948 2.419 23.008 1.00 9.25 C
565
+ ATOM 295 O VAL A 39 9.717 2.501 22.943 1.00 11.88 O
566
+ ATOM 296 CB VAL A 39 11.609 0.803 21.198 1.00 7.45 C
567
+ ATOM 297 CG1 VAL A 39 12.285 1.921 20.452 1.00 10.14 C
568
+ ATOM 298 CG2 VAL A 39 12.309 -0.526 20.955 1.00 9.38 C
569
+ ATOM 299 N ASP A 40 11.708 3.429 23.315 1.00 10.00 N
570
+ ATOM 300 CA ASP A 40 11.255 4.785 23.501 1.00 11.82 C
571
+ ATOM 301 C ASP A 40 12.287 5.714 22.873 1.00 11.35 C
572
+ ATOM 302 O ASP A 40 13.405 5.829 23.361 1.00 12.32 O
573
+ ATOM 303 CB ASP A 40 11.102 5.117 24.982 1.00 13.95 C
574
+ ATOM 304 CG ASP A 40 10.630 6.557 25.173 1.00 20.83 C
575
+ ATOM 305 OD1 ASP A 40 9.581 6.904 24.606 1.00 30.73 O
576
+ ATOM 306 OD2 ASP A 40 11.307 7.303 25.902 1.00 46.16 O
577
+ ATOM 307 N GLY A 41 11.909 6.366 21.776 1.00 11.44 N
578
+ ATOM 308 CA GLY A 41 12.926 7.089 21.041 1.00 13.36 C
579
+ ATOM 309 C GLY A 41 12.326 8.214 20.229 1.00 10.01 C
580
+ ATOM 310 O GLY A 41 11.173 8.611 20.423 1.00 11.38 O
581
+ ATOM 311 N GLU A 42 13.109 8.706 19.291 1.00 8.86 N
582
+ ATOM 312 CA GLU A 42 12.767 9.773 18.393 1.00 9.71 C
583
+ ATOM 313 C GLU A 42 12.249 9.221 17.039 1.00 7.69 C
584
+ ATOM 314 O GLU A 42 12.806 8.241 16.541 1.00 8.06 O
585
+ ATOM 315 CB GLU A 42 13.933 10.715 18.115 1.00 12.04 C
586
+ ATOM 316 CG GLU A 42 14.210 11.542 19.379 1.00 18.62 C
587
+ ATOM 317 CD GLU A 42 15.450 12.400 19.185 1.00 34.09 C
588
+ ATOM 318 OE1 GLU A 42 16.427 11.849 18.642 1.00 36.02 O
589
+ ATOM 319 OE2 GLU A 42 15.430 13.587 19.565 1.00 52.07 O
590
+ ATOM 320 N TRP A 43 11.226 9.874 16.505 1.00 7.00 N
591
+ ATOM 321 CA TRP A 43 10.493 9.379 15.354 1.00 8.03 C
592
+ ATOM 322 C TRP A 43 10.659 10.239 14.111 1.00 7.24 C
593
+ ATOM 323 O TRP A 43 10.713 11.475 14.204 1.00 8.61 O
594
+ ATOM 324 CB TRP A 43 8.983 9.325 15.715 1.00 7.86 C
595
+ ATOM 325 CG TRP A 43 8.728 8.237 16.705 1.00 7.89 C
596
+ ATOM 326 CD1 TRP A 43 8.940 8.265 18.054 1.00 8.65 C
597
+ ATOM 327 CD2 TRP A 43 8.204 6.926 16.407 1.00 7.44 C
598
+ ATOM 328 NE1 TRP A 43 8.566 7.046 18.600 1.00 8.58 N
599
+ ATOM 329 CE2 TRP A 43 8.123 6.203 17.626 1.00 8.50 C
600
+ ATOM 330 CE3 TRP A 43 7.803 6.282 15.239 1.00 7.78 C
601
+ ATOM 331 CZ2 TRP A 43 7.655 4.877 17.686 1.00 8.69 C
602
+ ATOM 332 CZ3 TRP A 43 7.349 4.998 15.303 1.00 9.59 C
603
+ ATOM 333 CH2 TRP A 43 7.275 4.289 16.527 1.00 9.94 C
604
+ ATOM 334 N THR A 44 10.639 9.569 12.975 1.00 7.15 N
605
+ ATOM 335 CA THR A 44 10.423 10.234 11.691 1.00 6.64 C
606
+ ATOM 336 C THR A 44 9.355 9.479 10.905 1.00 6.94 C
607
+ ATOM 337 O THR A 44 9.087 8.284 11.170 1.00 7.68 O
608
+ ATOM 338 CB THR A 44 11.681 10.373 10.823 1.00 8.94 C
609
+ ATOM 339 OG1 THR A 44 12.028 9.072 10.313 1.00 10.34 O
610
+ ATOM 340 CG2 THR A 44 12.863 10.959 11.564 1.00 9.38 C
611
+ ATOM 341 N TYR A 45 8.750 10.166 9.967 1.00 7.69 N
612
+ ATOM 342 CA TYR A 45 7.876 9.609 8.959 1.00 7.33 C
613
+ ATOM 343 C TYR A 45 8.243 10.237 7.634 1.00 6.69 C
614
+ ATOM 344 O TYR A 45 8.268 11.466 7.502 1.00 7.78 O
615
+ ATOM 345 CB TYR A 45 6.390 9.884 9.287 1.00 7.43 C
616
+ ATOM 346 CG TYR A 45 5.514 9.409 8.142 1.00 8.03 C
617
+ ATOM 347 CD1 TYR A 45 5.537 8.050 7.862 1.00 8.37 C
618
+ ATOM 348 CD2 TYR A 45 4.757 10.263 7.359 1.00 9.69 C
619
+ ATOM 349 CE1 TYR A 45 4.773 7.563 6.825 1.00 10.00 C
620
+ ATOM 350 CE2 TYR A 45 3.984 9.745 6.302 1.00 8.53 C
621
+ ATOM 351 CZ TYR A 45 4.014 8.409 6.070 1.00 8.60 C
622
+ ATOM 352 OH TYR A 45 3.288 7.816 5.022 1.00 11.58 O
623
+ ATOM 353 N ASP A 46 8.439 9.417 6.610 1.00 6.73 N
624
+ ATOM 354 CA ASP A 46 8.679 9.842 5.252 1.00 7.23 C
625
+ ATOM 355 C ASP A 46 7.574 9.316 4.358 1.00 7.63 C
626
+ ATOM 356 O ASP A 46 7.495 8.131 4.035 1.00 7.59 O
627
+ ATOM 357 CB ASP A 46 9.998 9.284 4.737 1.00 9.29 C
628
+ ATOM 358 CG ASP A 46 10.370 9.873 3.391 1.00 10.93 C
629
+ ATOM 359 OD1 ASP A 46 9.578 10.567 2.749 1.00 10.73 O
630
+ ATOM 360 OD2 ASP A 46 11.529 9.610 2.996 1.00 16.51 O
631
+ ATOM 361 N ASP A 47 6.677 10.217 3.984 1.00 8.22 N
632
+ ATOM 362 CA ASP A 47 5.592 9.771 3.163 1.00 9.88 C
633
+ ATOM 363 C ASP A 47 6.036 9.227 1.813 1.00 10.91 C
634
+ ATOM 364 O ASP A 47 5.293 8.430 1.239 1.00 13.80 O
635
+ ATOM 365 CB ASP A 47 4.619 10.933 2.932 1.00 10.17 C
636
+ ATOM 366 CG ASP A 47 3.373 10.380 2.229 1.00 15.75 C
637
+ ATOM 367 OD1 ASP A 47 2.672 9.544 2.832 1.00 13.61 O
638
+ ATOM 368 OD2 ASP A 47 3.217 10.816 1.055 1.00 18.18 O
639
+ ATOM 369 N ALA A 48 7.167 9.626 1.314 1.00 10.01 N
640
+ ATOM 370 CA ALA A 48 7.594 9.219 -0.023 1.00 9.37 C
641
+ ATOM 371 C ALA A 48 7.987 7.761 -0.070 1.00 9.15 C
642
+ ATOM 372 O ALA A 48 8.092 7.182 -1.183 1.00 10.30 O
643
+ ATOM 373 CB ALA A 48 8.749 10.094 -0.496 1.00 13.14 C
644
+ ATOM 374 N THR A 49 8.221 7.136 1.081 1.00 8.71 N
645
+ ATOM 375 CA THR A 49 8.472 5.697 1.148 1.00 9.35 C
646
+ ATOM 376 C THR A 49 7.544 4.963 2.119 1.00 8.62 C
647
+ ATOM 377 O THR A 49 7.750 3.792 2.399 1.00 9.16 O
648
+ ATOM 378 CB THR A 49 9.923 5.424 1.559 1.00 9.85 C
649
+ ATOM 379 OG1 THR A 49 10.078 6.011 2.890 1.00 11.12 O
650
+ ATOM 380 CG2 THR A 49 10.915 6.103 0.657 1.00 10.37 C
651
+ ATOM 381 N LYS A 50 6.551 5.641 2.657 1.00 8.19 N
652
+ ATOM 382 CA LYS A 50 5.643 5.081 3.650 1.00 7.47 C
653
+ ATOM 383 C LYS A 50 6.404 4.477 4.821 1.00 7.86 C
654
+ ATOM 384 O LYS A 50 5.980 3.440 5.348 1.00 9.12 O
655
+ ATOM 385 CB LYS A 50 4.664 4.069 3.003 1.00 8.94 C
656
+ ATOM 386 CG LYS A 50 3.810 4.654 1.883 1.00 10.29 C
657
+ ATOM 387 CD LYS A 50 2.924 5.790 2.302 1.00 10.75 C
658
+ ATOM 388 CE LYS A 50 2.096 6.297 1.134 1.00 11.66 C
659
+ ATOM 389 NZ LYS A 50 1.257 7.474 1.448 1.00 14.20 N
660
+ ATOM 390 N THR A 51 7.477 5.147 5.251 1.00 7.12 N
661
+ ATOM 391 CA THR A 51 8.352 4.563 6.270 1.00 7.04 C
662
+ ATOM 392 C THR A 51 8.479 5.463 7.502 1.00 7.28 C
663
+ ATOM 393 O THR A 51 8.773 6.667 7.385 1.00 7.56 O
664
+ ATOM 394 CB THR A 51 9.751 4.324 5.723 1.00 9.92 C
665
+ ATOM 395 OG1 THR A 51 9.667 3.407 4.616 1.00 9.44 O
666
+ ATOM 396 CG2 THR A 51 10.725 3.663 6.712 1.00 9.53 C
667
+ ATOM 397 N PHE A 52 8.258 4.863 8.626 1.00 6.78 N
668
+ ATOM 398 CA PHE A 52 8.531 5.464 9.922 1.00 6.97 C
669
+ ATOM 399 C PHE A 52 9.869 4.946 10.425 1.00 6.26 C
670
+ ATOM 400 O PHE A 52 10.263 3.817 10.138 1.00 7.49 O
671
+ ATOM 401 CB PHE A 52 7.498 5.049 10.958 1.00 7.40 C
672
+ ATOM 402 CG PHE A 52 6.119 5.591 10.718 1.00 7.14 C
673
+ ATOM 403 CD1 PHE A 52 5.232 4.960 9.842 1.00 8.12 C
674
+ ATOM 404 CD2 PHE A 52 5.675 6.728 11.339 1.00 7.62 C
675
+ ATOM 405 CE1 PHE A 52 3.962 5.481 9.625 1.00 10.73 C
676
+ ATOM 406 CE2 PHE A 52 4.439 7.272 11.109 1.00 9.43 C
677
+ ATOM 407 CZ PHE A 52 3.577 6.643 10.238 1.00 8.62 C
678
+ ATOM 408 N THR A 53 10.547 5.747 11.227 1.00 6.22 N
679
+ ATOM 409 CA THR A 53 11.704 5.280 11.975 1.00 7.16 C
680
+ ATOM 410 C THR A 53 11.559 5.631 13.429 1.00 6.67 C
681
+ ATOM 411 O THR A 53 10.999 6.681 13.751 1.00 7.29 O
682
+ ATOM 412 CB THR A 53 13.040 5.853 11.467 1.00 7.31 C
683
+ ATOM 413 OG1 THR A 53 13.169 7.260 11.721 1.00 9.62 O
684
+ ATOM 414 CG2 THR A 53 13.205 5.643 9.979 1.00 9.54 C
685
+ ATOM 415 N VAL A 54 12.114 4.790 14.309 1.00 6.55 N
686
+ ATOM 416 CA VAL A 54 12.232 5.154 15.718 1.00 7.13 C
687
+ ATOM 417 C VAL A 54 13.667 4.868 16.133 1.00 7.53 C
688
+ ATOM 418 O VAL A 54 14.159 3.770 15.869 1.00 7.67 O
689
+ ATOM 419 CB VAL A 54 11.190 4.435 16.596 1.00 7.28 C
690
+ ATOM 420 CG1 VAL A 54 11.260 2.910 16.539 1.00 8.34 C
691
+ ATOM 421 CG2 VAL A 54 11.315 4.958 18.021 1.00 8.71 C
692
+ ATOM 422 N THR A 55 14.324 5.821 16.780 1.00 7.01 N
693
+ ATOM 423 CA THR A 55 15.742 5.741 17.089 1.00 8.12 C
694
+ ATOM 424 C THR A 55 15.978 6.125 18.531 1.00 7.46 C
695
+ ATOM 425 O THR A 55 15.535 7.169 19.009 1.00 10.46 O
696
+ ATOM 426 CB THR A 55 16.567 6.665 16.191 1.00 8.36 C
697
+ ATOM 427 OG1 THR A 55 16.318 6.292 14.833 1.00 8.52 O
698
+ ATOM 428 CG2 THR A 55 18.047 6.528 16.464 1.00 12.06 C
699
+ ATOM 429 N GLU A 56 16.706 5.271 19.249 1.00 9.24 N
700
+ ATOM 430 CA GLU A 56 17.118 5.567 20.602 1.00 10.67 C
701
+ ATOM 431 C GLU A 56 18.527 6.125 20.671 1.00 15.27 C
702
+ ATOM 432 O GLU A 56 19.272 6.187 19.701 1.00 18.99 O
703
+ ATOM 433 CB GLU A 56 17.022 4.303 21.483 1.00 10.21 C
704
+ ATOM 434 CG GLU A 56 15.578 3.831 21.608 1.00 10.51 C
705
+ ATOM 435 CD GLU A 56 15.342 2.661 22.534 1.00 11.81 C
706
+ ATOM 436 OE1 GLU A 56 16.062 1.654 22.378 1.00 14.45 O
707
+ ATOM 437 OE2 GLU A 56 14.451 2.695 23.427 1.00 11.78 O
708
+ ATOM 438 OXT GLU A 56 18.859 6.504 21.878 1.00 22.79 O
709
+ TER 439 GLU A 56
710
+ HETATM 440 O HOH A 57 14.181 7.996 14.125 1.00 8.48 O
711
+ HETATM 441 O HOH A 58 9.596 -7.969 22.413 1.00 7.81 O
712
+ HETATM 442 O HOH A 59 15.723 -1.128 22.112 1.00 9.79 O
713
+ HETATM 443 O HOH A 60 13.827 -2.820 23.243 1.00 9.76 O
714
+ HETATM 444 O HOH A 61 -7.578 9.696 9.905 1.00 11.39 O
715
+ HETATM 445 O HOH A 62 11.244 7.955 7.932 1.00 11.92 O
716
+ HETATM 446 O HOH A 63 9.456 -8.029 10.927 1.00 12.11 O
717
+ HETATM 447 O HOH A 64 20.552 -4.596 19.005 1.00 12.58 O
718
+ HETATM 448 O HOH A 65 8.006 -7.285 23.975 1.00 12.62 O
719
+ HETATM 449 O HOH A 66 -6.168 7.537 3.417 1.00 15.65 O
720
+ HETATM 450 O HOH A 67 -5.356 11.056 5.968 1.00 15.43 O
721
+ HETATM 451 O HOH A 68 11.755 10.991 6.308 1.00 44.12 O
722
+ HETATM 452 O HOH A 69 10.043 11.961 18.099 1.00 17.54 O
723
+ HETATM 453 O HOH A 70 0.063 7.692 3.948 1.00 16.07 O
724
+ HETATM 454 O HOH A 71 0.136 -1.787 17.694 1.00 16.81 O
725
+ HETATM 455 O HOH A 72 -6.663 1.284 9.468 1.00 20.14 O
726
+ HETATM 456 O HOH A 73 -0.277 8.639 -0.364 1.00 17.81 O
727
+ HETATM 457 O HOH A 74 5.130 -0.236 2.212 1.00 18.31 O
728
+ HETATM 458 O HOH A 75 17.484 10.500 16.370 1.00 18.66 O
729
+ HETATM 459 O HOH A 76 -2.793 10.697 8.261 1.00 22.97 O
730
+ HETATM 460 O HOH A 77 -0.009 4.516 20.020 1.00 17.03 O
731
+ HETATM 461 O HOH A 78 2.304 -4.171 19.666 1.00 20.81 O
732
+ HETATM 462 O HOH A 79 6.261 4.703 21.195 1.00 18.67 O
733
+ HETATM 463 O HOH A 80 12.455 6.881 3.633 1.00 16.88 O
734
+ HETATM 464 O HOH A 81 -8.364 7.569 10.864 1.00 22.84 O
735
+ HETATM 465 O HOH A 82 2.118 9.433 -1.017 1.00 19.03 O
736
+ HETATM 466 O HOH A 83 4.082 -4.201 13.078 1.00 18.27 O
737
+ HETATM 467 O HOH A 84 -7.071 9.027 4.917 1.00 58.06 O
738
+ HETATM 468 O HOH A 85 -2.410 11.351 2.989 1.00 28.70 O
739
+ HETATM 469 O HOH A 86 17.043 -1.065 25.428 1.00 18.67 O
740
+ HETATM 470 O HOH A 87 5.562 -7.578 5.356 1.00 24.23 O
741
+ HETATM 471 O HOH A 88 -8.240 9.905 6.732 1.00 22.81 O
742
+ HETATM 472 O HOH A 89 -5.164 8.557 13.904 1.00 23.16 O
743
+ HETATM 473 O HOH A 90 8.945 6.198 21.298 1.00 17.47 O
744
+ HETATM 474 O HOH A 91 8.971 -9.956 21.234 1.00 23.81 O
745
+ HETATM 475 O HOH A 92 2.183 11.930 -2.826 1.00 18.93 O
746
+ HETATM 476 O HOH A 93 8.919 13.076 15.926 1.00 24.71 O
747
+ HETATM 477 O HOH A 94 11.729 2.173 3.441 1.00 24.06 O
748
+ HETATM 478 O HOH A 95 5.564 -7.203 9.399 1.00 30.70 O
749
+ HETATM 479 O HOH A 96 22.203 -4.213 21.670 1.00 27.20 O
750
+ HETATM 480 O HOH A 97 -1.547 -5.038 9.399 1.00 18.08 O
751
+ HETATM 481 O HOH A 98 3.626 -1.455 26.499 1.00 24.73 O
752
+ HETATM 482 O HOH A 99 15.546 3.824 13.054 1.00 22.07 O
753
+ HETATM 483 O HOH A 100 2.015 13.325 10.661 1.00 27.99 O
754
+ HETATM 484 O HOH A 101 6.439 12.405 12.987 1.00 37.48 O
755
+ HETATM 485 O HOH A 102 5.288 11.494 -0.909 1.00 23.74 O
756
+ HETATM 486 O HOH A 103 -1.148 11.835 14.754 1.00 25.97 O
757
+ HETATM 487 O HOH A 104 21.093 8.439 19.296 1.00 37.56 O
758
+ HETATM 488 O HOH A 105 -2.910 1.541 18.868 1.00 37.54 O
759
+ HETATM 489 O HOH A 106 -2.116 -1.570 11.508 1.00 50.27 O
760
+ HETATM 490 O HOH A 107 5.067 -7.044 2.880 1.00 29.12 O
761
+ HETATM 491 O HOH A 108 -0.085 -6.707 14.512 1.00 63.31 O
762
+ HETATM 492 O HOH A 109 1.770 -5.047 6.772 1.00 28.02 O
763
+ HETATM 493 O HOH A 110 20.111 -0.715 12.859 1.00 30.83 O
764
+ HETATM 494 O HOH A 111 4.973 14.081 -0.072 1.00 56.20 O
765
+ HETATM 495 O HOH A 112 0.391 -3.053 25.793 1.00 30.86 O
766
+ HETATM 496 O HOH A 113 0.023 13.501 9.526 1.00 48.90 O
767
+ HETATM 497 O HOH A 114 20.156 3.384 19.236 1.00 28.41 O
768
+ HETATM 498 O HOH A 115 9.837 -6.187 18.583 1.00 65.88 O
769
+ HETATM 499 O HOH A 116 15.094 4.835 25.205 1.00 28.51 O
770
+ HETATM 500 O HOH A 117 12.854 9.035 24.127 1.00 43.36 O
771
+ HETATM 501 O HOH A 118 14.666 -0.654 4.219 1.00 36.91 O
772
+ HETATM 502 O HOH A 119 17.800 7.014 24.115 1.00 37.61 O
773
+ HETATM 503 O HOH A 120 -2.182 1.206 26.372 1.00 53.85 O
774
+ HETATM 504 O HOH A 121 5.965 12.130 16.076 1.00 60.61 O
775
+ HETATM 505 O HOH A 122 -3.353 -1.515 25.827 1.00 40.77 O
776
+ HETATM 506 O HOH A 123 20.976 3.221 30.610 1.00 34.14 O
777
+ HETATM 507 O HOH A 124 -1.790 9.278 5.144 1.00 18.07 O
778
+ HETATM 508 O HOH A 125 -1.291 11.364 16.999 1.00 51.32 O
779
+ HETATM 509 O HOH A 126 1.812 12.353 12.730 1.00 41.83 O
780
+ HETATM 510 O HOH A 127 13.275 7.420 -0.169 1.00 58.73 O
781
+ HETATM 511 O HOH A 128 -6.323 6.026 13.638 1.00 16.98 O
782
+ HETATM 512 O HOH A 129 2.173 -4.575 14.940 1.00 19.05 O
783
+ HETATM 513 O HOH A 130 13.091 6.813 6.367 1.00 18.47 O
784
+ HETATM 514 O HOH A 131 11.496 -9.129 21.086 1.00 32.02 O
785
+ HETATM 515 O HOH A 132 -2.901 5.763 4.135 1.00 38.80 O
786
+ HETATM 516 O HOH A 133 9.286 11.064 20.629 1.00 26.14 O
787
+ HETATM 517 O HOH A 134 11.685 9.498 26.998 1.00 40.11 O
788
+ HETATM 518 O HOH A 135 -7.012 10.235 12.609 1.00 16.52 O
789
+ HETATM 519 O HOH A 136 1.195 2.719 23.370 1.00 38.57 O
790
+ HETATM 520 O HOH A 137 -2.066 -7.263 6.972 1.00 40.08 O
791
+ HETATM 521 O HOH A 138 17.553 -0.957 11.490 1.00 40.82 O
792
+ HETATM 522 O HOH A 139 -2.282 -0.587 -0.197 1.00 15.91 O
793
+ HETATM 523 O HOH A 140 -9.804 8.161 6.658 1.00 23.86 O
794
+ HETATM 524 O HOH A 141 -0.693 13.434 12.472 1.00 32.98 O
795
+ HETATM 525 O HOH A 142 0.920 8.700 17.190 1.00 26.24 O
796
+ HETATM 526 O HOH A 143 -4.381 9.733 3.659 1.00 33.39 O
797
+ HETATM 527 O HOH A 144 -2.763 11.495 5.957 1.00 21.63 O
798
+ HETATM 528 O HOH A 145 23.919 9.291 20.163 1.00 57.00 O
799
+ HETATM 529 O HOH A 146 -0.946 9.656 2.487 1.00 38.85 O
800
+ HETATM 530 O HOH A 147 2.362 7.646 22.219 1.00 31.08 O
801
+ HETATM 531 O HOH A 148 -5.187 3.362 2.859 1.00 21.96 O
802
+ HETATM 532 O HOH A 149 0.389 7.095 19.878 1.00 42.06 O
803
+ HETATM 533 O HOH A 150 -1.290 -3.461 3.877 1.00 39.92 O
804
+ HETATM 534 O HOH A 151 1.035 11.002 4.102 1.00 61.93 O
805
+ HETATM 535 O HOH A 152 1.413 0.599 24.233 1.00 44.60 O
806
+ HETATM 536 O HOH A 153 1.561 13.840 -4.351 1.00 35.14 O
807
+ HETATM 537 O HOH A 154 23.355 -5.165 19.923 1.00 41.62 O
808
+ HETATM 538 O HOH A 155 2.290 10.953 10.973 1.00 44.43 O
809
+ HETATM 539 O HOH A 156 -5.237 -0.758 3.706 1.00 42.64 O
810
+ HETATM 540 O HOH A 157 6.945 5.750 25.463 1.00 36.24 O
811
+ HETATM 541 O HOH A 158 4.164 3.959 28.060 1.00 37.00 O
812
+ HETATM 542 O HOH A 159 11.682 12.417 21.533 1.00 34.61 O
813
+ HETATM 543 O HOH A 160 22.335 2.461 28.183 1.00 36.96 O
814
+ HETATM 544 O HOH A 161 25.061 -4.995 22.884 1.00 47.36 O
815
+ HETATM 545 O HOH A 162 -4.529 -5.943 3.007 1.00 37.09 O
816
+ HETATM 546 O HOH A 163 -9.341 8.523 9.015 1.00 41.39 O
817
+ HETATM 547 O HOH A 164 16.631 9.030 22.250 1.00 38.17 O
818
+ HETATM 548 O HOH A 165 19.535 -0.643 10.286 1.00 44.16 O
819
+ HETATM 549 O HOH A 166 7.448 -8.786 6.111 1.00 20.36 O
820
+ HETATM 550 O HOH A 167 22.651 3.404 20.168 1.00 48.19 O
821
+ HETATM 551 O HOH A 168 19.390 0.327 26.987 1.00 64.81 O
822
+ HETATM 552 O HOH A 169 0.434 6.020 24.246 1.00 40.64 O
823
+ HETATM 553 O HOH A 170 6.235 9.988 21.284 1.00 51.96 O
824
+ HETATM 554 O HOH A 171 -3.466 -1.587 2.497 1.00 30.99 O
825
+ HETATM 555 O HOH A 172 -0.524 -1.461 24.102 1.00 63.49 O
826
+ HETATM 556 O HOH A 173 11.338 -6.366 22.886 1.00 16.43 O
827
+ HETATM 557 O HOH A 174 14.826 5.097 0.136 1.00 52.05 O
828
+ HETATM 558 O HOH A 175 3.177 -9.110 1.903 1.00 46.41 O
829
+ MASTER 218 0 0 1 4 0 0 6 557 1 0 5
830
+ END
data/GB1/GB1.png ADDED

Git LFS Details

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  • Pointer size: 131 Bytes
  • Size of remote file: 425 kB
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data/GB1/fitness_landscape/GB1.csv ADDED
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+ >6X0A_2|Chains AA[auth a], BA[auth b], CA[auth c], DA[auth d], EA[auth e], FA[auth f], GA[auth g], HA[auth h], IA[auth i], JA[auth j], S[auth k], T[auth l], U[auth m], V[auth n], W[auth o], X[auth p], Y[auth q], Z[auth r]|Putative addiction module antidote protein, CopG/Arc/MetJ family chimera|Mesorhizobium opportunistum (strain LMG 24607 / HAMBI 3007 / WSM2075) (536019)
2
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+ >tr|F7YBW8|F7YBW8_MESOW Putative addiction module antidote protein, CopG/Arc/MetJ family OS=Mesorhizobium opportunistum (strain LMG 24607 / HAMBI 3007 / WSM2075) OX=536019 GN=Mesop_5599 PE=1 SV=1
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1
+ ATOM 1 N ASN A 3 -37.250 -65.728 -55.965 1.00 53.23 N
2
+ ATOM 2 CA ASN A 3 -36.237 -66.579 -56.580 1.00 48.71 C
3
+ ATOM 3 C ASN A 3 -34.804 -66.113 -56.310 1.00 38.44 C
4
+ ATOM 4 O ASN A 3 -34.316 -66.200 -55.184 1.00 37.30 O
5
+ ATOM 5 CB ASN A 3 -36.479 -66.673 -58.089 1.00 50.30 C
6
+ ATOM 6 CG ASN A 3 -37.044 -65.393 -58.670 1.00 53.71 C
7
+ ATOM 7 OD1 ASN A 3 -36.825 -64.307 -58.137 1.00 62.70 O
8
+ ATOM 8 ND2 ASN A 3 -37.778 -65.516 -59.770 1.00 69.05 N
9
+ ATOM 9 N VAL A 4 -34.125 -65.642 -57.350 1.00 38.20 N
10
+ ATOM 10 CA VAL A 4 -32.718 -65.261 -57.246 1.00 25.76 C
11
+ ATOM 11 C VAL A 4 -32.432 -63.943 -57.959 1.00 40.92 C
12
+ ATOM 12 O VAL A 4 -32.974 -63.681 -59.029 1.00 40.09 O
13
+ ATOM 13 CB VAL A 4 -31.790 -66.344 -57.846 1.00 40.38 C
14
+ ATOM 14 CG1 VAL A 4 -30.337 -66.073 -57.472 1.00 38.10 C
15
+ ATOM 15 CG2 VAL A 4 -32.221 -67.743 -57.412 1.00 32.51 C
16
+ ATOM 16 N GLU A 5 -31.569 -63.119 -57.375 1.00 30.69 N
17
+ ATOM 17 CA GLU A 5 -31.198 -61.856 -57.995 1.00 29.20 C
18
+ ATOM 18 C GLU A 5 -29.695 -61.744 -58.174 1.00 37.75 C
19
+ ATOM 19 O GLU A 5 -28.942 -61.784 -57.203 1.00 34.34 O
20
+ ATOM 20 CB GLU A 5 -31.715 -60.687 -57.164 1.00 35.05 C
21
+ ATOM 21 CG GLU A 5 -31.735 -59.381 -57.909 1.00 40.58 C
22
+ ATOM 22 CD GLU A 5 -32.997 -58.597 -57.634 1.00 49.38 C
23
+ ATOM 23 OE1 GLU A 5 -34.013 -59.219 -57.246 1.00 47.66 O
24
+ ATOM 24 OE2 GLU A 5 -32.968 -57.360 -57.796 1.00 51.91 O
25
+ ATOM 25 N LYS A 6 -29.255 -61.601 -59.420 1.00 28.62 N
26
+ ATOM 26 CA LYS A 6 -27.833 -61.491 -59.698 1.00 27.62 C
27
+ ATOM 27 C LYS A 6 -27.410 -60.035 -59.769 1.00 37.25 C
28
+ ATOM 28 O LYS A 6 -28.136 -59.189 -60.290 1.00 37.80 O
29
+ ATOM 29 CB LYS A 6 -27.470 -62.220 -60.996 1.00 36.35 C
30
+ ATOM 30 CG LYS A 6 -27.555 -63.746 -60.886 1.00 43.24 C
31
+ ATOM 31 CD LYS A 6 -26.494 -64.442 -61.736 1.00 46.19 C
32
+ ATOM 32 CE LYS A 6 -25.679 -65.442 -60.913 1.00 52.81 C
33
+ ATOM 33 NZ LYS A 6 -26.488 -66.609 -60.434 1.00 38.04 N
34
+ ATOM 34 N MET A 7 -26.237 -59.740 -59.225 1.00 26.62 N
35
+ ATOM 35 CA MET A 7 -25.696 -58.397 -59.319 1.00 31.82 C
36
+ ATOM 36 C MET A 7 -24.184 -58.430 -59.425 1.00 31.71 C
37
+ ATOM 37 O MET A 7 -23.535 -59.357 -58.950 1.00 32.14 O
38
+ ATOM 38 CB MET A 7 -26.133 -57.544 -58.124 1.00 34.50 C
39
+ ATOM 39 CG MET A 7 -25.680 -58.044 -56.774 1.00 36.16 C
40
+ ATOM 40 SD MET A 7 -26.166 -56.921 -55.441 1.00 45.54 S
41
+ ATOM 41 CE MET A 7 -27.928 -57.200 -55.369 1.00 21.79 C
42
+ ATOM 42 N SER A 8 -23.630 -57.423 -60.087 1.00 29.88 N
43
+ ATOM 43 CA SER A 8 -22.190 -57.287 -60.201 1.00 29.08 C
44
+ ATOM 44 C SER A 8 -21.695 -56.369 -59.103 1.00 35.09 C
45
+ ATOM 45 O SER A 8 -22.147 -55.230 -58.993 1.00 36.07 O
46
+ ATOM 46 CB SER A 8 -21.795 -56.736 -61.572 1.00 35.54 C
47
+ ATOM 47 OG SER A 8 -20.394 -56.534 -61.633 1.00 40.99 O
48
+ ATOM 48 N VAL A 9 -20.775 -56.868 -58.286 1.00 31.70 N
49
+ ATOM 49 CA VAL A 9 -20.261 -56.087 -57.169 1.00 30.29 C
50
+ ATOM 50 C VAL A 9 -18.742 -56.002 -57.181 1.00 29.94 C
51
+ ATOM 51 O VAL A 9 -18.055 -56.859 -57.734 1.00 41.11 O
52
+ ATOM 52 CB VAL A 9 -20.729 -56.668 -55.812 1.00 27.39 C
53
+ ATOM 53 CG1 VAL A 9 -22.236 -56.527 -55.672 1.00 28.85 C
54
+ ATOM 54 CG2 VAL A 9 -20.302 -58.120 -55.673 1.00 31.42 C
55
+ ATOM 55 N ALA A 10 -18.229 -54.942 -56.574 1.00 22.81 N
56
+ ATOM 56 CA ALA A 10 -16.799 -54.709 -56.478 1.00 24.01 C
57
+ ATOM 57 C ALA A 10 -16.334 -54.926 -55.041 1.00 27.25 C
58
+ ATOM 58 O ALA A 10 -16.762 -54.217 -54.136 1.00 19.58 O
59
+ ATOM 59 CB ALA A 10 -16.460 -53.302 -56.938 1.00 24.98 C
60
+ ATOM 60 N VAL A 11 -15.471 -55.912 -54.827 1.00 29.01 N
61
+ ATOM 61 CA VAL A 11 -14.873 -56.095 -53.508 1.00 22.39 C
62
+ ATOM 62 C VAL A 11 -13.377 -55.838 -53.590 1.00 22.43 C
63
+ ATOM 63 O VAL A 11 -12.835 -55.635 -54.672 1.00 24.96 O
64
+ ATOM 64 CB VAL A 11 -15.132 -57.501 -52.947 1.00 19.14 C
65
+ ATOM 65 CG1 VAL A 11 -16.626 -57.792 -52.913 1.00 25.08 C
66
+ ATOM 66 CG2 VAL A 11 -14.385 -58.558 -53.763 1.00 26.66 C
67
+ ATOM 67 N THR A 12 -12.704 -55.829 -52.446 1.00 19.77 N
68
+ ATOM 68 CA THR A 12 -11.269 -55.618 -52.443 1.00 20.43 C
69
+ ATOM 69 C THR A 12 -10.558 -56.909 -52.868 1.00 21.32 C
70
+ ATOM 70 O THR A 12 -11.122 -58.002 -52.771 1.00 18.99 O
71
+ ATOM 71 CB THR A 12 -10.762 -55.166 -51.060 1.00 25.19 C
72
+ ATOM 72 OG1 THR A 12 -10.737 -56.289 -50.177 1.00 19.34 O
73
+ ATOM 73 CG2 THR A 12 -11.661 -54.082 -50.475 1.00 25.03 C
74
+ ATOM 74 N PRO A 13 -9.322 -56.786 -53.366 1.00 22.57 N
75
+ ATOM 75 CA PRO A 13 -8.594 -57.996 -53.760 1.00 25.85 C
76
+ ATOM 76 C PRO A 13 -8.351 -58.919 -52.569 1.00 18.31 C
77
+ ATOM 77 O PRO A 13 -8.390 -60.141 -52.710 1.00 22.31 O
78
+ ATOM 78 CB PRO A 13 -7.277 -57.447 -54.316 1.00 24.40 C
79
+ ATOM 79 CG PRO A 13 -7.613 -56.049 -54.753 1.00 28.10 C
80
+ ATOM 80 CD PRO A 13 -8.594 -55.557 -53.732 1.00 26.73 C
81
+ ATOM 81 N GLN A 14 -8.129 -58.321 -51.406 1.00 20.39 N
82
+ ATOM 82 CA GLN A 14 -7.906 -59.066 -50.180 1.00 19.15 C
83
+ ATOM 83 C GLN A 14 -9.164 -59.852 -49.799 1.00 19.33 C
84
+ ATOM 84 O GLN A 14 -9.089 -61.026 -49.417 1.00 18.27 O
85
+ ATOM 85 CB GLN A 14 -7.492 -58.115 -49.049 1.00 26.34 C
86
+ ATOM 86 CG GLN A 14 -6.187 -57.339 -49.296 1.00 35.41 C
87
+ ATOM 87 CD GLN A 14 -6.339 -56.082 -50.160 1.00 34.48 C
88
+ ATOM 88 OE1 GLN A 14 -7.444 -55.666 -50.504 1.00 29.47 O
89
+ ATOM 89 NE2 GLN A 14 -5.210 -55.474 -50.509 1.00 42.93 N
90
+ ATOM 90 N GLN A 15 -10.325 -59.211 -49.912 1.00 17.00 N
91
+ ATOM 91 CA GLN A 15 -11.584 -59.903 -49.623 1.00 14.47 C
92
+ ATOM 92 C GLN A 15 -11.830 -61.032 -50.607 1.00 15.85 C
93
+ ATOM 93 O GLN A 15 -12.226 -62.131 -50.214 1.00 16.34 O
94
+ ATOM 94 CB GLN A 15 -12.759 -58.919 -49.644 1.00 13.62 C
95
+ ATOM 95 CG GLN A 15 -12.737 -57.974 -48.464 1.00 13.91 C
96
+ ATOM 96 CD GLN A 15 -13.718 -56.843 -48.599 1.00 19.06 C
97
+ ATOM 97 OE1 GLN A 15 -14.256 -56.596 -49.679 1.00 18.71 O
98
+ ATOM 98 NE2 GLN A 15 -13.957 -56.137 -47.497 1.00 18.71 N
99
+ ATOM 99 N ALA A 16 -11.584 -60.773 -51.888 1.00 15.17 N
100
+ ATOM 100 CA ALA A 16 -11.820 -61.787 -52.902 1.00 14.62 C
101
+ ATOM 101 C ALA A 16 -10.921 -62.992 -52.658 1.00 17.48 C
102
+ ATOM 102 O ALA A 16 -11.339 -64.132 -52.864 1.00 16.16 O
103
+ ATOM 103 CB ALA A 16 -11.583 -61.220 -54.299 1.00 17.23 C
104
+ ATOM 104 N ALA A 17 -9.699 -62.738 -52.194 1.00 17.54 N
105
+ ATOM 105 CA ALA A 17 -8.744 -63.822 -51.975 1.00 20.86 C
106
+ ATOM 106 C ALA A 17 -9.199 -64.725 -50.837 1.00 18.17 C
107
+ ATOM 107 O ALA A 17 -9.119 -65.950 -50.944 1.00 17.13 O
108
+ ATOM 108 CB ALA A 17 -7.347 -63.269 -51.694 1.00 19.16 C
109
+ ATOM 109 N VAL A 18 -9.682 -64.134 -49.746 1.00 17.82 N
110
+ ATOM 110 CA VAL A 18 -10.119 -64.956 -48.624 1.00 15.75 C
111
+ ATOM 111 C VAL A 18 -11.392 -65.710 -48.978 1.00 16.22 C
112
+ ATOM 112 O VAL A 18 -11.555 -66.861 -48.585 1.00 14.37 O
113
+ ATOM 113 CB VAL A 18 -10.350 -64.133 -47.349 1.00 13.90 C
114
+ ATOM 114 CG1 VAL A 18 -10.856 -65.030 -46.217 1.00 17.48 C
115
+ ATOM 115 CG2 VAL A 18 -9.063 -63.449 -46.936 1.00 17.94 C
116
+ ATOM 116 N MET A 19 -12.292 -65.070 -49.722 1.00 13.80 N
117
+ ATOM 117 CA MET A 19 -13.499 -65.773 -50.146 1.00 11.08 C
118
+ ATOM 118 C MET A 19 -13.139 -66.987 -51.007 1.00 13.99 C
119
+ ATOM 119 O MET A 19 -13.710 -68.058 -50.838 1.00 13.36 O
120
+ ATOM 120 CB MET A 19 -14.463 -64.823 -50.881 1.00 13.31 C
121
+ ATOM 121 CG MET A 19 -15.257 -63.972 -49.892 1.00 14.59 C
122
+ ATOM 122 SD MET A 19 -16.600 -63.055 -50.687 1.00 24.33 S
123
+ ATOM 123 CE MET A 19 -15.548 -61.896 -51.428 1.00 11.37 C
124
+ ATOM 124 N ARG A 20 -12.175 -66.826 -51.910 1.00 15.19 N
125
+ ATOM 125 CA ARG A 20 -11.732 -67.952 -52.734 1.00 18.05 C
126
+ ATOM 126 C ARG A 20 -11.090 -69.044 -51.885 1.00 16.72 C
127
+ ATOM 127 O ARG A 20 -11.331 -70.231 -52.114 1.00 18.25 O
128
+ ATOM 128 CB ARG A 20 -10.744 -67.486 -53.807 1.00 20.02 C
129
+ ATOM 129 CG ARG A 20 -11.401 -66.779 -54.984 1.00 28.79 C
130
+ ATOM 130 CD ARG A 20 -10.415 -66.619 -56.139 1.00 37.61 C
131
+ ATOM 131 NE ARG A 20 -9.216 -65.883 -55.745 1.00 43.18 N
132
+ ATOM 132 CZ ARG A 20 -9.075 -64.566 -55.878 1.00 38.78 C
133
+ ATOM 133 NH1 ARG A 20 -10.061 -63.843 -56.394 1.00 36.43 N
134
+ ATOM 134 NH2 ARG A 20 -7.955 -63.971 -55.493 1.00 36.49 N
135
+ ATOM 135 N GLU A 21 -10.280 -68.640 -50.909 1.00 15.33 N
136
+ ATOM 136 CA GLU A 21 -9.668 -69.602 -49.991 1.00 17.46 C
137
+ ATOM 137 C GLU A 21 -10.732 -70.424 -49.277 1.00 16.18 C
138
+ ATOM 138 O GLU A 21 -10.603 -71.640 -49.125 1.00 15.76 O
139
+ ATOM 139 CB GLU A 21 -8.793 -68.892 -48.956 1.00 22.08 C
140
+ ATOM 140 CG GLU A 21 -7.477 -68.372 -49.502 1.00 34.58 C
141
+ ATOM 141 CD GLU A 21 -6.800 -67.388 -48.563 1.00 40.70 C
142
+ ATOM 142 OE1 GLU A 21 -7.157 -67.358 -47.363 1.00 39.73 O
143
+ ATOM 143 OE2 GLU A 21 -5.910 -66.643 -49.028 1.00 45.96 O
144
+ ATOM 144 N ALA A 22 -11.787 -69.759 -48.822 1.00 13.67 N
145
+ ATOM 145 CA ALA A 22 -12.806 -70.450 -48.040 1.00 10.37 C
146
+ ATOM 146 C ALA A 22 -13.581 -71.429 -48.905 1.00 13.76 C
147
+ ATOM 147 O ALA A 22 -13.922 -72.526 -48.458 1.00 13.31 O
148
+ ATOM 148 CB ALA A 22 -13.763 -69.437 -47.381 1.00 10.69 C
149
+ ATOM 149 N VAL A 23 -13.860 -71.034 -50.142 1.00 13.46 N
150
+ ATOM 150 CA VAL A 23 -14.544 -71.929 -51.077 1.00 12.25 C
151
+ ATOM 151 C VAL A 23 -13.645 -73.128 -51.421 1.00 13.90 C
152
+ ATOM 152 O VAL A 23 -14.080 -74.280 -51.365 1.00 15.26 O
153
+ ATOM 153 CB VAL A 23 -14.966 -71.190 -52.368 1.00 14.72 C
154
+ ATOM 154 CG1 VAL A 23 -15.449 -72.185 -53.432 1.00 16.34 C
155
+ ATOM 155 CG2 VAL A 23 -16.070 -70.155 -52.058 1.00 14.19 C
156
+ ATOM 156 N GLU A 24 -12.386 -72.858 -51.750 1.00 16.93 N
157
+ ATOM 157 CA GLU A 24 -11.468 -73.941 -52.121 1.00 17.26 C
158
+ ATOM 158 C GLU A 24 -11.252 -74.925 -50.972 1.00 21.14 C
159
+ ATOM 159 O GLU A 24 -11.026 -76.116 -51.197 1.00 22.83 O
160
+ ATOM 160 CB GLU A 24 -10.124 -73.370 -52.590 1.00 18.74 C
161
+ ATOM 161 CG GLU A 24 -10.221 -72.619 -53.911 1.00 31.40 C
162
+ ATOM 162 CD GLU A 24 -8.907 -71.992 -54.341 1.00 64.63 C
163
+ ATOM 163 OE1 GLU A 24 -7.950 -71.992 -53.537 1.00 65.78 O
164
+ ATOM 164 OE2 GLU A 24 -8.836 -71.485 -55.483 1.00 62.11 O
165
+ ATOM 165 N ALA A 25 -11.347 -74.435 -49.740 1.00 14.09 N
166
+ ATOM 166 CA ALA A 25 -11.182 -75.283 -48.561 1.00 14.10 C
167
+ ATOM 167 C ALA A 25 -12.434 -76.082 -48.223 1.00 18.46 C
168
+ ATOM 168 O ALA A 25 -12.410 -76.938 -47.338 1.00 19.41 O
169
+ ATOM 169 CB ALA A 25 -10.770 -74.444 -47.369 1.00 16.36 C
170
+ ATOM 170 N GLY A 26 -13.533 -75.794 -48.916 1.00 15.98 N
171
+ ATOM 171 CA GLY A 26 -14.772 -76.514 -48.700 1.00 18.67 C
172
+ ATOM 172 C GLY A 26 -15.674 -75.945 -47.617 1.00 17.82 C
173
+ ATOM 173 O GLY A 26 -16.651 -76.580 -47.232 1.00 18.55 O
174
+ ATOM 174 N GLU A 27 -15.356 -74.751 -47.121 1.00 15.10 N
175
+ ATOM 175 CA GLU A 27 -16.235 -74.092 -46.161 1.00 14.47 C
176
+ ATOM 176 C GLU A 27 -17.547 -73.673 -46.817 1.00 13.14 C
177
+ ATOM 177 O GLU A 27 -18.590 -73.657 -46.164 1.00 16.54 O
178
+ ATOM 178 CB GLU A 27 -15.553 -72.866 -45.543 1.00 12.74 C
179
+ ATOM 179 CG GLU A 27 -14.341 -73.207 -44.691 1.00 17.22 C
180
+ ATOM 180 CD GLU A 27 -13.665 -71.970 -44.124 1.00 22.43 C
181
+ ATOM 181 OE1 GLU A 27 -14.240 -70.867 -44.227 1.00 15.41 O
182
+ ATOM 182 OE2 GLU A 27 -12.562 -72.107 -43.559 1.00 29.21 O
183
+ ATOM 183 N TYR A 28 -17.467 -73.314 -48.096 1.00 13.52 N
184
+ ATOM 184 CA TYR A 28 -18.614 -72.868 -48.880 1.00 13.84 C
185
+ ATOM 185 C TYR A 28 -18.527 -73.420 -50.288 1.00 13.17 C
186
+ ATOM 186 O TYR A 28 -17.434 -73.709 -50.767 1.00 16.22 O
187
+ ATOM 187 CB TYR A 28 -18.668 -71.344 -48.965 1.00 13.96 C
188
+ ATOM 188 CG TYR A 28 -18.899 -70.652 -47.645 1.00 13.63 C
189
+ ATOM 189 CD1 TYR A 28 -17.843 -70.400 -46.780 1.00 13.02 C
190
+ ATOM 190 CD2 TYR A 28 -20.171 -70.253 -47.263 1.00 12.86 C
191
+ ATOM 191 CE1 TYR A 28 -18.042 -69.765 -45.563 1.00 12.91 C
192
+ ATOM 192 CE2 TYR A 28 -20.381 -69.609 -46.044 1.00 9.87 C
193
+ ATOM 193 CZ TYR A 28 -19.312 -69.375 -45.200 1.00 11.28 C
194
+ ATOM 194 OH TYR A 28 -19.509 -68.732 -43.997 1.00 10.93 O
195
+ ATOM 195 N ALA A 29 -19.663 -73.499 -50.974 1.00 17.39 N
196
+ ATOM 196 CA ALA A 29 -19.691 -74.008 -52.348 1.00 18.12 C
197
+ ATOM 197 C ALA A 29 -19.325 -72.939 -53.382 1.00 18.01 C
198
+ ATOM 198 O ALA A 29 -18.666 -73.233 -54.389 1.00 18.24 O
199
+ ATOM 199 CB ALA A 29 -21.064 -74.593 -52.647 1.00 18.59 C
200
+ ATOM 200 N THR A 30 -19.763 -71.699 -53.149 1.00 15.75 N
201
+ ATOM 201 CA THR A 30 -19.436 -70.571 -54.025 1.00 16.55 C
202
+ ATOM 202 C THR A 30 -19.276 -69.287 -53.227 1.00 12.66 C
203
+ ATOM 203 O THR A 30 -19.728 -69.212 -52.077 1.00 14.66 O
204
+ ATOM 204 CB THR A 30 -20.527 -70.291 -55.091 1.00 19.66 C
205
+ ATOM 205 OG1 THR A 30 -21.706 -69.795 -54.440 1.00 17.13 O
206
+ ATOM 206 CG2 THR A 30 -20.873 -71.531 -55.910 1.00 20.14 C
207
+ ATOM 207 N ALA A 31 -18.672 -68.277 -53.846 1.00 14.67 N
208
+ ATOM 208 CA ALA A 31 -18.535 -66.979 -53.196 1.00 14.40 C
209
+ ATOM 209 C ALA A 31 -19.906 -66.364 -52.882 1.00 13.75 C
210
+ ATOM 210 O ALA A 31 -20.042 -65.678 -51.875 1.00 12.86 O
211
+ ATOM 211 CB ALA A 31 -17.699 -66.019 -54.051 1.00 17.02 C
212
+ ATOM 212 N SER A 32 -20.924 -66.619 -53.709 1.00 14.71 N
213
+ ATOM 213 CA SER A 32 -22.240 -66.019 -53.447 1.00 13.34 C
214
+ ATOM 214 C SER A 32 -22.845 -66.512 -52.146 1.00 11.39 C
215
+ ATOM 215 O SER A 32 -23.612 -65.789 -51.510 1.00 12.75 O
216
+ ATOM 216 CB SER A 32 -23.240 -66.294 -54.582 1.00 14.71 C
217
+ ATOM 217 OG SER A 32 -22.859 -65.638 -55.774 1.00 17.24 O
218
+ ATOM 218 N GLU A 33 -22.529 -67.746 -51.756 1.00 13.32 N
219
+ ATOM 219 CA GLU A 33 -23.007 -68.271 -50.479 1.00 9.47 C
220
+ ATOM 220 C GLU A 33 -22.462 -67.447 -49.322 1.00 11.00 C
221
+ ATOM 221 O GLU A 33 -23.183 -67.179 -48.350 1.00 11.71 O
222
+ ATOM 222 CB GLU A 33 -22.604 -69.735 -50.287 1.00 13.47 C
223
+ ATOM 223 CG GLU A 33 -23.284 -70.684 -51.264 1.00 15.00 C
224
+ ATOM 224 CD GLU A 33 -23.178 -72.125 -50.817 1.00 18.12 C
225
+ ATOM 225 OE1 GLU A 33 -22.150 -72.486 -50.214 1.00 16.29 O
226
+ ATOM 226 OE2 GLU A 33 -24.131 -72.889 -51.060 1.00 20.24 O
227
+ ATOM 227 N ILE A 34 -21.193 -67.061 -49.432 1.00 10.55 N
228
+ ATOM 228 CA ILE A 34 -20.571 -66.185 -48.445 1.00 9.00 C
229
+ ATOM 229 C ILE A 34 -21.260 -64.834 -48.449 1.00 9.48 C
230
+ ATOM 230 O ILE A 34 -21.567 -64.284 -47.392 1.00 10.23 O
231
+ ATOM 231 CB ILE A 34 -19.067 -66.001 -48.719 1.00 9.17 C
232
+ ATOM 232 CG1 ILE A 34 -18.350 -67.343 -48.551 1.00 11.61 C
233
+ ATOM 233 CG2 ILE A 34 -18.487 -64.925 -47.792 1.00 9.72 C
234
+ ATOM 234 CD1 ILE A 34 -16.932 -67.368 -49.111 1.00 11.59 C
235
+ ATOM 235 N VAL A 35 -21.471 -64.278 -49.640 1.00 9.61 N
236
+ ATOM 236 CA VAL A 35 -22.066 -62.953 -49.718 1.00 10.90 C
237
+ ATOM 237 C VAL A 35 -23.474 -62.965 -49.118 1.00 10.43 C
238
+ ATOM 238 O VAL A 35 -23.856 -62.032 -48.410 1.00 9.90 O
239
+ ATOM 239 CB VAL A 35 -22.086 -62.443 -51.177 1.00 10.61 C
240
+ ATOM 240 CG1 VAL A 35 -22.873 -61.132 -51.293 1.00 13.24 C
241
+ ATOM 241 CG2 VAL A 35 -20.652 -62.274 -51.683 1.00 12.50 C
242
+ ATOM 242 N ARG A 36 -24.246 -64.024 -49.368 1.00 10.95 N
243
+ ATOM 243 CA ARG A 36 -25.591 -64.104 -48.797 1.00 9.42 C
244
+ ATOM 244 C ARG A 36 -25.557 -64.184 -47.275 1.00 10.21 C
245
+ ATOM 245 O ARG A 36 -26.323 -63.500 -46.596 1.00 10.44 O
246
+ ATOM 246 CB ARG A 36 -26.359 -65.305 -49.375 1.00 10.48 C
247
+ ATOM 247 CG ARG A 36 -26.835 -65.046 -50.799 1.00 11.19 C
248
+ ATOM 248 CD ARG A 36 -27.815 -66.110 -51.264 1.00 13.06 C
249
+ ATOM 249 NE ARG A 36 -27.208 -67.440 -51.432 1.00 14.26 N
250
+ ATOM 250 CZ ARG A 36 -26.656 -67.890 -52.559 1.00 12.32 C
251
+ ATOM 251 NH1 ARG A 36 -26.585 -67.131 -53.638 1.00 15.61 N
252
+ ATOM 252 NH2 ARG A 36 -26.168 -69.128 -52.603 1.00 19.28 N
253
+ ATOM 253 N GLU A 37 -24.671 -65.010 -46.725 1.00 9.20 N
254
+ ATOM 254 CA GLU A 37 -24.525 -65.074 -45.270 1.00 8.72 C
255
+ ATOM 255 C GLU A 37 -24.121 -63.704 -44.707 1.00 9.56 C
256
+ ATOM 256 O GLU A 37 -24.690 -63.217 -43.714 1.00 8.82 O
257
+ ATOM 257 CB GLU A 37 -23.480 -66.129 -44.888 1.00 9.42 C
258
+ ATOM 258 CG GLU A 37 -23.231 -66.222 -43.371 1.00 8.94 C
259
+ ATOM 259 CD GLU A 37 -22.136 -67.214 -43.026 1.00 10.38 C
260
+ ATOM 260 OE1 GLU A 37 -22.005 -68.234 -43.738 1.00 12.93 O
261
+ ATOM 261 OE2 GLU A 37 -21.393 -66.964 -42.050 1.00 12.24 O
262
+ ATOM 262 N ALA A 38 -23.139 -63.090 -45.358 1.00 7.99 N
263
+ ATOM 263 CA ALA A 38 -22.610 -61.803 -44.911 1.00 7.86 C
264
+ ATOM 264 C ALA A 38 -23.660 -60.696 -44.978 1.00 9.11 C
265
+ ATOM 265 O ALA A 38 -23.760 -59.872 -44.050 1.00 8.51 O
266
+ ATOM 266 CB ALA A 38 -21.387 -61.433 -45.742 1.00 7.72 C
267
+ ATOM 267 N VAL A 39 -24.447 -60.668 -46.054 1.00 6.95 N
268
+ ATOM 268 CA VAL A 39 -25.475 -59.627 -46.171 1.00 7.91 C
269
+ ATOM 269 C VAL A 39 -26.604 -59.863 -45.153 1.00 9.69 C
270
+ ATOM 270 O VAL A 39 -27.129 -58.902 -44.585 1.00 9.17 O
271
+ ATOM 271 CB VAL A 39 -26.022 -59.535 -47.611 1.00 9.73 C
272
+ ATOM 272 CG1 VAL A 39 -27.258 -58.616 -47.680 1.00 11.92 C
273
+ ATOM 273 CG2 VAL A 39 -24.959 -58.970 -48.523 1.00 12.59 C
274
+ ATOM 274 N ARG A 40 -26.949 -61.123 -44.880 1.00 9.58 N
275
+ ATOM 275 CA ARG A 40 -27.950 -61.388 -43.848 1.00 9.54 C
276
+ ATOM 276 C ARG A 40 -27.465 -60.886 -42.486 1.00 10.21 C
277
+ ATOM 277 O ARG A 40 -28.233 -60.287 -41.722 1.00 10.44 O
278
+ ATOM 278 CB ARG A 40 -28.283 -62.884 -43.788 1.00 9.71 C
279
+ ATOM 279 CG ARG A 40 -29.214 -63.290 -42.652 1.00 13.71 C
280
+ ATOM 280 CD ARG A 40 -30.478 -62.481 -42.633 1.00 16.33 C
281
+ ATOM 281 NE ARG A 40 -31.383 -62.941 -41.575 1.00 21.05 N
282
+ ATOM 282 CZ ARG A 40 -31.229 -62.681 -40.280 1.00 24.50 C
283
+ ATOM 283 NH1 ARG A 40 -30.198 -61.957 -39.854 1.00 16.65 N
284
+ ATOM 284 NH2 ARG A 40 -32.111 -63.153 -39.404 1.00 21.46 N
285
+ ATOM 285 N ASP A 41 -26.185 -61.094 -42.183 1.00 8.17 N
286
+ ATOM 286 CA ASP A 41 -25.649 -60.586 -40.928 1.00 7.88 C
287
+ ATOM 287 C ASP A 41 -25.650 -59.060 -40.913 1.00 8.53 C
288
+ ATOM 288 O ASP A 41 -25.923 -58.445 -39.883 1.00 9.54 O
289
+ ATOM 289 CB ASP A 41 -24.231 -61.104 -40.687 1.00 7.81 C
290
+ ATOM 290 CG ASP A 41 -24.190 -62.595 -40.418 1.00 11.36 C
291
+ ATOM 291 OD1 ASP A 41 -25.250 -63.183 -40.096 1.00 13.16 O
292
+ ATOM 292 OD2 ASP A 41 -23.093 -63.182 -40.523 1.00 11.07 O
293
+ ATOM 293 N TRP A 42 -25.352 -58.455 -42.063 1.00 7.14 N
294
+ ATOM 294 CA TRP A 42 -25.402 -56.999 -42.176 1.00 9.52 C
295
+ ATOM 295 C TRP A 42 -26.832 -56.465 -41.959 1.00 8.47 C
296
+ ATOM 296 O TRP A 42 -27.012 -55.391 -41.382 1.00 8.98 O
297
+ ATOM 297 CB TRP A 42 -24.836 -56.555 -43.537 1.00 8.88 C
298
+ ATOM 298 CG TRP A 42 -25.097 -55.114 -43.886 1.00 7.85 C
299
+ ATOM 299 CD1 TRP A 42 -24.328 -54.030 -43.545 1.00 10.99 C
300
+ ATOM 300 CD2 TRP A 42 -26.202 -54.605 -44.645 1.00 7.59 C
301
+ ATOM 301 NE1 TRP A 42 -24.902 -52.877 -44.048 1.00 11.14 N
302
+ ATOM 302 CE2 TRP A 42 -26.042 -53.206 -44.735 1.00 12.22 C
303
+ ATOM 303 CE3 TRP A 42 -27.299 -55.200 -45.276 1.00 12.08 C
304
+ ATOM 304 CZ2 TRP A 42 -26.950 -52.389 -45.424 1.00 10.69 C
305
+ ATOM 305 CZ3 TRP A 42 -28.209 -54.385 -45.958 1.00 11.56 C
306
+ ATOM 306 CH2 TRP A 42 -28.020 -52.999 -46.030 1.00 11.70 C
307
+ ATOM 307 N LEU A 43 -27.851 -57.202 -42.403 1.00 9.09 N
308
+ ATOM 308 CA LEU A 43 -29.228 -56.758 -42.152 1.00 10.27 C
309
+ ATOM 309 C LEU A 43 -29.483 -56.596 -40.661 1.00 10.12 C
310
+ ATOM 310 O LEU A 43 -30.104 -55.622 -40.229 1.00 10.06 O
311
+ ATOM 311 CB LEU A 43 -30.243 -57.747 -42.735 1.00 10.67 C
312
+ ATOM 312 CG LEU A 43 -30.291 -57.872 -44.252 1.00 13.29 C
313
+ ATOM 313 CD1 LEU A 43 -31.148 -59.081 -44.621 1.00 15.52 C
314
+ ATOM 314 CD2 LEU A 43 -30.871 -56.617 -44.840 1.00 13.61 C
315
+ ATOM 315 N ALA A 44 -29.000 -57.551 -39.869 1.00 9.33 N
316
+ ATOM 316 CA ALA A 44 -29.161 -57.470 -38.417 1.00 9.94 C
317
+ ATOM 317 C ALA A 44 -28.310 -56.337 -37.830 1.00 10.69 C
318
+ ATOM 318 O ALA A 44 -28.768 -55.590 -36.964 1.00 11.29 O
319
+ ATOM 319 CB ALA A 44 -28.810 -58.805 -37.760 1.00 11.58 C
320
+ ATOM 320 N LYS A 45 -27.075 -56.204 -38.308 1.00 8.14 N
321
+ ATOM 321 CA LYS A 45 -26.217 -55.093 -37.881 1.00 7.72 C
322
+ ATOM 322 C LYS A 45 -26.890 -53.743 -38.129 1.00 9.73 C
323
+ ATOM 323 O LYS A 45 -26.864 -52.837 -37.275 1.00 10.51 O
324
+ ATOM 324 CB LYS A 45 -24.871 -55.163 -38.626 1.00 9.07 C
325
+ ATOM 325 CG LYS A 45 -23.860 -54.071 -38.248 1.00 10.82 C
326
+ ATOM 326 CD LYS A 45 -22.666 -54.121 -39.206 1.00 9.77 C
327
+ ATOM 327 CE LYS A 45 -21.574 -53.160 -38.777 1.00 9.97 C
328
+ ATOM 328 NZ LYS A 45 -20.522 -53.036 -39.845 1.00 11.16 N
329
+ ATOM 329 N ARG A 46 -27.500 -53.618 -39.304 1.00 8.02 N
330
+ ATOM 330 CA ARG A 46 -28.166 -52.382 -39.691 1.00 8.08 C
331
+ ATOM 331 C ARG A 46 -29.364 -52.104 -38.769 1.00 10.87 C
332
+ ATOM 332 O ARG A 46 -29.641 -50.950 -38.422 1.00 10.59 O
333
+ ATOM 333 CB ARG A 46 -28.598 -52.460 -41.160 1.00 9.45 C
334
+ ATOM 334 CG ARG A 46 -29.363 -51.228 -41.668 1.00 12.28 C
335
+ ATOM 335 CD ARG A 46 -29.567 -51.318 -43.182 1.00 12.54 C
336
+ ATOM 336 NE ARG A 46 -30.461 -50.282 -43.701 1.00 13.10 N
337
+ ATOM 337 CZ ARG A 46 -31.768 -50.440 -43.885 1.00 16.17 C
338
+ ATOM 338 NH1 ARG A 46 -32.358 -51.597 -43.590 1.00 14.50 N
339
+ ATOM 339 NH2 ARG A 46 -32.491 -49.434 -44.372 1.00 15.68 N
340
+ ATOM 340 N GLU A 47 -30.066 -53.155 -38.353 1.00 10.93 N
341
+ ATOM 341 CA AGLU A 47 -31.183 -52.962 -37.436 0.64 10.76 C
342
+ ATOM 342 CA BGLU A 47 -31.185 -52.962 -37.438 0.36 10.81 C
343
+ ATOM 343 C GLU A 47 -30.676 -52.498 -36.079 1.00 10.01 C
344
+ ATOM 344 O GLU A 47 -31.300 -51.651 -35.432 1.00 11.29 O
345
+ ATOM 345 CB AGLU A 47 -32.006 -54.244 -37.308 0.64 11.40 C
346
+ ATOM 346 CB BGLU A 47 -32.014 -54.242 -37.307 0.36 11.45 C
347
+ ATOM 347 CG AGLU A 47 -32.851 -54.528 -38.547 0.64 13.83 C
348
+ ATOM 348 CG BGLU A 47 -32.803 -54.578 -38.569 0.36 13.82 C
349
+ ATOM 349 CD AGLU A 47 -33.603 -53.295 -39.017 0.64 14.32 C
350
+ ATOM 350 CD BGLU A 47 -33.785 -55.716 -38.373 0.36 17.56 C
351
+ ATOM 351 OE1AGLU A 47 -34.383 -52.743 -38.204 0.64 14.12 O
352
+ ATOM 352 OE1BGLU A 47 -34.021 -56.111 -37.212 0.36 26.47 O
353
+ ATOM 353 OE2AGLU A 47 -33.408 -52.868 -40.183 0.64 14.68 O
354
+ ATOM 354 OE2BGLU A 47 -34.322 -56.217 -39.384 0.36 23.88 O
355
+ ATOM 355 N LEU A 48 -29.533 -53.029 -35.652 1.00 10.91 N
356
+ ATOM 356 CA LEU A 48 -28.941 -52.572 -34.391 1.00 9.88 C
357
+ ATOM 357 C LEU A 48 -28.443 -51.132 -34.512 1.00 10.68 C
358
+ ATOM 358 O LEU A 48 -28.516 -50.365 -33.559 1.00 10.85 O
359
+ ATOM 359 CB LEU A 48 -27.792 -53.484 -33.964 1.00 11.55 C
360
+ ATOM 360 CG LEU A 48 -28.223 -54.891 -33.556 1.00 13.46 C
361
+ ATOM 361 CD1 LEU A 48 -27.009 -55.826 -33.518 1.00 17.60 C
362
+ ATOM 362 CD2 LEU A 48 -28.933 -54.865 -32.222 1.00 14.09 C
363
+ ATOM 363 N ARG A 49 -27.929 -50.774 -35.687 1.00 9.34 N
364
+ ATOM 364 CA ARG A 49 -27.530 -49.396 -35.964 1.00 8.63 C
365
+ ATOM 365 C ARG A 49 -28.734 -48.456 -35.913 1.00 11.32 C
366
+ ATOM 366 O ARG A 49 -28.668 -47.369 -35.332 1.00 9.08 O
367
+ ATOM 367 CB ARG A 49 -26.847 -49.315 -37.334 1.00 9.86 C
368
+ ATOM 368 CG ARG A 49 -26.380 -47.913 -37.710 1.00 13.77 C
369
+ ATOM 369 CD ARG A 49 -25.789 -47.898 -39.126 1.00 17.34 C
370
+ ATOM 370 NE ARG A 49 -24.581 -48.715 -39.230 1.00 17.41 N
371
+ ATOM 371 CZ ARG A 49 -24.244 -49.440 -40.300 1.00 17.00 C
372
+ ATOM 372 NH1 ARG A 49 -25.037 -49.482 -41.371 1.00 18.48 N
373
+ ATOM 373 NH2 ARG A 49 -23.107 -50.134 -40.297 1.00 13.44 N
374
+ ATOM 374 N HIS A 50 -29.839 -48.878 -36.521 1.00 9.28 N
375
+ ATOM 375 CA HIS A 50 -31.061 -48.087 -36.459 1.00 9.85 C
376
+ ATOM 376 C HIS A 50 -31.570 -47.968 -35.026 1.00 9.77 C
377
+ ATOM 377 O HIS A 50 -32.096 -46.910 -34.648 1.00 9.58 O
378
+ ATOM 378 CB HIS A 50 -32.146 -48.701 -37.353 1.00 9.56 C
379
+ ATOM 379 CG HIS A 50 -31.948 -48.449 -38.812 1.00 14.34 C
380
+ ATOM 380 ND1 HIS A 50 -32.806 -48.949 -39.770 1.00 15.18 N
381
+ ATOM 381 CD2 HIS A 50 -30.999 -47.755 -39.487 1.00 14.09 C
382
+ ATOM 382 CE1 HIS A 50 -32.398 -48.571 -40.966 1.00 15.56 C
383
+ ATOM 383 NE2 HIS A 50 -31.303 -47.844 -40.824 1.00 15.12 N
384
+ ATOM 384 N ASP A 51 -31.407 -49.031 -34.225 1.00 9.28 N
385
+ ATOM 385 CA ASP A 51 -31.745 -48.962 -32.788 1.00 8.58 C
386
+ ATOM 386 C ASP A 51 -30.943 -47.840 -32.119 1.00 11.50 C
387
+ ATOM 387 O ASP A 51 -31.479 -47.036 -31.345 1.00 11.62 O
388
+ ATOM 388 CB ASP A 51 -31.434 -50.273 -32.060 1.00 11.14 C
389
+ ATOM 389 CG ASP A 51 -32.422 -51.392 -32.357 1.00 16.60 C
390
+ ATOM 390 OD1 ASP A 51 -33.538 -51.131 -32.859 1.00 17.11 O
391
+ ATOM 391 OD2 ASP A 51 -32.064 -52.551 -32.041 1.00 17.80 O
392
+ ATOM 392 N ASP A 52 -29.642 -47.818 -32.395 1.00 9.38 N
393
+ ATOM 393 CA ASP A 52 -28.767 -46.781 -31.837 1.00 8.29 C
394
+ ATOM 394 C ASP A 52 -29.204 -45.380 -32.262 1.00 12.65 C
395
+ ATOM 395 O ASP A 52 -29.225 -44.460 -31.452 1.00 11.38 O
396
+ ATOM 396 CB ASP A 52 -27.318 -46.975 -32.276 1.00 9.60 C
397
+ ATOM 397 CG ASP A 52 -26.611 -48.107 -31.546 1.00 11.53 C
398
+ ATOM 398 OD1 ASP A 52 -27.176 -48.684 -30.588 1.00 11.85 O
399
+ ATOM 399 OD2 ASP A 52 -25.458 -48.393 -31.960 1.00 10.47 O
400
+ ATOM 400 N ILE A 53 -29.517 -45.207 -33.545 1.00 8.70 N
401
+ ATOM 401 CA ILE A 53 -29.939 -43.899 -34.030 1.00 9.09 C
402
+ ATOM 402 C ILE A 53 -31.232 -43.448 -33.347 1.00 9.69 C
403
+ ATOM 403 O ILE A 53 -31.341 -42.291 -32.921 1.00 10.13 O
404
+ ATOM 404 CB ILE A 53 -30.131 -43.912 -35.544 1.00 9.55 C
405
+ ATOM 405 CG1 ILE A 53 -28.788 -44.168 -36.221 1.00 13.02 C
406
+ ATOM 406 CG2 ILE A 53 -30.701 -42.558 -36.020 1.00 14.06 C
407
+ ATOM 407 CD1 ILE A 53 -28.889 -44.355 -37.730 1.00 15.72 C
408
+ ATOM 408 N ARG A 54 -32.200 -44.359 -33.247 1.00 9.02 N
409
+ ATOM 409 CA ARG A 54 -33.457 -44.061 -32.549 1.00 10.30 C
410
+ ATOM 410 C ARG A 54 -33.234 -43.695 -31.095 1.00 10.12 C
411
+ ATOM 411 O ARG A 54 -33.910 -42.805 -30.571 1.00 11.60 O
412
+ ATOM 412 CB ARG A 54 -34.422 -45.252 -32.583 1.00 11.32 C
413
+ ATOM 413 CG ARG A 54 -35.008 -45.486 -33.908 1.00 13.57 C
414
+ ATOM 414 CD ARG A 54 -36.097 -46.565 -33.841 1.00 14.32 C
415
+ ATOM 415 NE ARG A 54 -36.219 -47.108 -35.173 1.00 19.93 N
416
+ ATOM 416 CZ ARG A 54 -35.745 -48.286 -35.549 1.00 14.62 C
417
+ ATOM 417 NH1 ARG A 54 -35.197 -49.114 -34.662 1.00 17.25 N
418
+ ATOM 418 NH2 ARG A 54 -35.877 -48.651 -36.806 1.00 18.24 N
419
+ ATOM 419 N ARG A 55 -32.320 -44.413 -30.444 1.00 10.08 N
420
+ ATOM 420 CA ARG A 55 -32.034 -44.152 -29.038 1.00 10.28 C
421
+ ATOM 421 C ARG A 55 -31.432 -42.762 -28.886 1.00 11.44 C
422
+ ATOM 422 O ARG A 55 -31.864 -41.974 -28.029 1.00 10.79 O
423
+ ATOM 423 CB ARG A 55 -31.099 -45.219 -28.466 1.00 11.22 C
424
+ ATOM 424 CG ARG A 55 -30.722 -45.030 -26.983 1.00 12.75 C
425
+ ATOM 425 CD ARG A 55 -31.939 -44.983 -26.070 1.00 15.73 C
426
+ ATOM 426 NE ARG A 55 -31.519 -44.961 -24.667 1.00 17.51 N
427
+ ATOM 427 CZ ARG A 55 -32.262 -44.507 -23.661 1.00 21.92 C
428
+ ATOM 428 NH1 ARG A 55 -33.477 -44.023 -23.890 1.00 22.08 N
429
+ ATOM 429 NH2 ARG A 55 -31.778 -44.534 -22.421 1.00 20.28 N
430
+ ATOM 430 N LEU A 56 -30.460 -42.448 -29.738 1.00 11.08 N
431
+ ATOM 431 CA LEU A 56 -29.826 -41.129 -29.680 1.00 10.02 C
432
+ ATOM 432 C LEU A 56 -30.821 -40.019 -30.000 1.00 11.37 C
433
+ ATOM 433 O LEU A 56 -30.780 -38.947 -29.402 1.00 9.55 O
434
+ ATOM 434 CB LEU A 56 -28.632 -41.059 -30.641 1.00 10.95 C
435
+ ATOM 435 CG LEU A 56 -27.452 -41.949 -30.228 1.00 10.52 C
436
+ ATOM 436 CD1 LEU A 56 -26.419 -42.013 -31.349 1.00 11.43 C
437
+ ATOM 437 CD2 LEU A 56 -26.817 -41.441 -28.925 1.00 13.72 C
438
+ ATOM 438 N ARG A 57 -31.723 -40.275 -30.942 1.00 9.57 N
439
+ ATOM 439 CA ARG A 57 -32.744 -39.289 -31.292 1.00 9.37 C
440
+ ATOM 440 C ARG A 57 -33.693 -39.045 -30.117 1.00 9.95 C
441
+ ATOM 441 O ARG A 57 -34.026 -37.900 -29.800 1.00 11.58 O
442
+ ATOM 442 CB ARG A 57 -33.522 -39.755 -32.532 1.00 11.75 C
443
+ ATOM 443 CG ARG A 57 -34.519 -38.731 -33.081 1.00 12.74 C
444
+ ATOM 444 CD ARG A 57 -35.280 -39.315 -34.288 1.00 11.21 C
445
+ ATOM 445 NE ARG A 57 -34.374 -39.605 -35.405 1.00 11.55 N
446
+ ATOM 446 CZ ARG A 57 -34.442 -40.696 -36.166 1.00 13.44 C
447
+ ATOM 447 NH1 ARG A 57 -35.369 -41.618 -35.951 1.00 14.01 N
448
+ ATOM 448 NH2 ARG A 57 -33.575 -40.861 -37.150 1.00 12.87 N
449
+ ATOM 449 N GLN A 58 -34.111 -40.130 -29.469 1.00 10.54 N
450
+ ATOM 450 CA GLN A 58 -34.963 -40.042 -28.288 1.00 11.04 C
451
+ ATOM 451 C GLN A 58 -34.296 -39.224 -27.189 1.00 12.46 C
452
+ ATOM 452 O GLN A 58 -34.914 -38.323 -26.608 1.00 13.27 O
453
+ ATOM 453 CB GLN A 58 -35.297 -41.446 -27.778 1.00 12.68 C
454
+ ATOM 454 CG GLN A 58 -36.037 -41.475 -26.458 1.00 18.78 C
455
+ ATOM 455 CD GLN A 58 -36.221 -42.887 -25.926 1.00 19.03 C
456
+ ATOM 456 OE1 GLN A 58 -35.376 -43.763 -26.133 1.00 22.96 O
457
+ ATOM 457 NE2 GLN A 58 -37.332 -43.112 -25.238 1.00 22.10 N
458
+ ATOM 458 N LEU A 59 -33.031 -39.539 -26.912 1.00 11.12 N
459
+ ATOM 459 CA LEU A 59 -32.284 -38.826 -25.876 1.00 9.92 C
460
+ ATOM 460 C LEU A 59 -32.112 -37.348 -26.241 1.00 11.06 C
461
+ ATOM 461 O LEU A 59 -32.292 -36.464 -25.392 1.00 10.98 O
462
+ ATOM 462 CB LEU A 59 -30.921 -39.501 -25.654 1.00 9.48 C
463
+ ATOM 463 CG LEU A 59 -31.023 -40.913 -25.071 1.00 10.60 C
464
+ ATOM 464 CD1 LEU A 59 -29.657 -41.580 -25.068 1.00 14.13 C
465
+ ATOM 465 CD2 LEU A 59 -31.606 -40.894 -23.650 1.00 14.42 C
466
+ ATOM 466 N TRP A 60 -31.784 -37.086 -27.507 1.00 8.88 N
467
+ ATOM 467 CA TRP A 60 -31.668 -35.727 -28.019 1.00 10.05 C
468
+ ATOM 468 C TRP A 60 -32.951 -34.935 -27.805 1.00 11.22 C
469
+ ATOM 469 O TRP A 60 -32.922 -33.837 -27.262 1.00 11.05 O
470
+ ATOM 470 CB TRP A 60 -31.327 -35.750 -29.513 1.00 11.38 C
471
+ ATOM 471 CG TRP A 60 -31.288 -34.397 -30.166 1.00 8.67 C
472
+ ATOM 472 CD1 TRP A 60 -32.351 -33.683 -30.675 1.00 10.61 C
473
+ ATOM 473 CD2 TRP A 60 -30.121 -33.599 -30.397 1.00 8.73 C
474
+ ATOM 474 NE1 TRP A 60 -31.904 -32.488 -31.202 1.00 11.35 N
475
+ ATOM 475 CE2 TRP A 60 -30.541 -32.416 -31.047 1.00 11.61 C
476
+ ATOM 476 CE3 TRP A 60 -28.756 -33.776 -30.126 1.00 9.77 C
477
+ ATOM 477 CZ2 TRP A 60 -29.642 -31.406 -31.421 1.00 13.24 C
478
+ ATOM 478 CZ3 TRP A 60 -27.866 -32.779 -30.491 1.00 10.59 C
479
+ ATOM 479 CH2 TRP A 60 -28.312 -31.607 -31.139 1.00 10.92 C
480
+ ATOM 480 N ASP A 61 -34.068 -35.496 -28.257 1.00 11.11 N
481
+ ATOM 481 CA ASP A 61 -35.347 -34.807 -28.147 1.00 12.18 C
482
+ ATOM 482 C ASP A 61 -35.669 -34.481 -26.694 1.00 12.38 C
483
+ ATOM 483 O ASP A 61 -36.144 -33.385 -26.402 1.00 13.72 O
484
+ ATOM 484 CB ASP A 61 -36.474 -35.646 -28.765 1.00 12.77 C
485
+ ATOM 485 CG ASP A 61 -36.404 -35.711 -30.292 1.00 13.87 C
486
+ ATOM 486 OD1 ASP A 61 -35.730 -34.871 -30.929 1.00 13.64 O
487
+ ATOM 487 OD2 ASP A 61 -37.059 -36.611 -30.864 1.00 14.75 O
488
+ ATOM 488 N GLU A 62 -35.387 -35.416 -25.787 1.00 13.13 N
489
+ ATOM 489 CA AGLU A 62 -35.584 -35.202 -24.352 0.44 13.87 C
490
+ ATOM 490 CA BGLU A 62 -35.615 -35.168 -24.369 0.56 13.85 C
491
+ ATOM 491 C GLU A 62 -34.786 -33.982 -23.885 1.00 16.02 C
492
+ ATOM 492 O GLU A 62 -35.304 -33.100 -23.183 1.00 14.75 O
493
+ ATOM 493 CB AGLU A 62 -35.162 -36.447 -23.548 0.44 12.41 C
494
+ ATOM 494 CB BGLU A 62 -35.290 -36.404 -23.531 0.56 12.38 C
495
+ ATOM 495 CG AGLU A 62 -36.065 -37.681 -23.694 0.44 12.98 C
496
+ ATOM 496 CG BGLU A 62 -35.414 -36.130 -22.040 0.56 12.77 C
497
+ ATOM 497 CD AGLU A 62 -35.518 -38.914 -22.969 0.44 17.17 C
498
+ ATOM 498 CD BGLU A 62 -35.185 -37.351 -21.177 0.56 17.46 C
499
+ ATOM 499 OE1AGLU A 62 -36.075 -40.023 -23.143 0.44 18.77 O
500
+ ATOM 500 OE1BGLU A 62 -35.445 -37.261 -19.959 0.56 18.06 O
501
+ ATOM 501 OE2AGLU A 62 -34.526 -38.781 -22.221 0.44 18.08 O
502
+ ATOM 502 OE2BGLU A 62 -34.745 -38.393 -21.700 0.56 15.71 O
503
+ ATOM 503 N GLY A 63 -33.510 -33.947 -24.275 1.00 11.74 N
504
+ ATOM 504 CA GLY A 63 -32.626 -32.847 -23.920 1.00 11.91 C
505
+ ATOM 505 C GLY A 63 -33.139 -31.516 -24.442 1.00 16.56 C
506
+ ATOM 506 O GLY A 63 -33.115 -30.512 -23.731 1.00 16.49 O
507
+ ATOM 507 N LYS A 64 -33.607 -31.504 -25.686 1.00 13.29 N
508
+ ATOM 508 CA LYS A 64 -34.050 -30.262 -26.315 1.00 12.49 C
509
+ ATOM 509 C LYS A 64 -35.369 -29.756 -25.737 1.00 18.32 C
510
+ ATOM 510 O LYS A 64 -35.720 -28.585 -25.921 1.00 22.36 O
511
+ ATOM 511 CB LYS A 64 -34.186 -30.448 -27.834 1.00 15.65 C
512
+ ATOM 512 CG LYS A 64 -32.869 -30.545 -28.589 1.00 16.39 C
513
+ ATOM 513 CD LYS A 64 -32.007 -29.307 -28.422 1.00 22.67 C
514
+ ATOM 514 CE LYS A 64 -32.653 -28.094 -29.070 1.00 31.74 C
515
+ ATOM 515 NZ LYS A 64 -31.825 -26.872 -28.903 1.00 29.85 N
516
+ ATOM 516 N ALA A 65 -36.094 -30.621 -25.037 1.00 15.06 N
517
+ ATOM 517 CA ALA A 65 -37.366 -30.214 -24.442 1.00 15.38 C
518
+ ATOM 518 C ALA A 65 -37.253 -29.935 -22.937 1.00 23.60 C
519
+ ATOM 519 O ALA A 65 -38.261 -29.681 -22.275 1.00 23.32 O
520
+ ATOM 520 CB ALA A 65 -38.426 -31.279 -24.700 1.00 20.87 C
521
+ ATOM 521 N SER A 66 -36.037 -29.961 -22.396 1.00 18.73 N
522
+ ATOM 522 CA SER A 66 -35.868 -29.935 -20.940 1.00 16.54 C
523
+ ATOM 523 C SER A 66 -35.704 -28.535 -20.345 1.00 20.61 C
524
+ ATOM 524 O SER A 66 -35.583 -28.388 -19.126 1.00 24.20 O
525
+ ATOM 525 CB SER A 66 -34.665 -30.787 -20.534 1.00 16.26 C
526
+ ATOM 526 OG SER A 66 -33.446 -30.257 -21.038 1.00 18.81 O
527
+ ATOM 527 N GLY A 67 -35.673 -27.515 -21.189 1.00 21.96 N
528
+ ATOM 528 CA GLY A 67 -35.559 -26.157 -20.685 1.00 24.97 C
529
+ ATOM 529 C GLY A 67 -34.323 -25.410 -21.136 1.00 25.18 C
530
+ ATOM 530 O GLY A 67 -33.541 -25.897 -21.950 1.00 21.65 O
531
+ ATOM 531 N ARG A 68 -34.142 -24.211 -20.592 1.00 23.29 N
532
+ ATOM 532 CA ARG A 68 -33.076 -23.321 -21.025 1.00 23.57 C
533
+ ATOM 533 C ARG A 68 -31.685 -23.866 -20.671 1.00 17.04 C
534
+ ATOM 534 O ARG A 68 -31.412 -24.191 -19.516 1.00 21.22 O
535
+ ATOM 535 CB ARG A 68 -33.301 -21.939 -20.402 1.00 25.98 C
536
+ ATOM 536 CG ARG A 68 -32.136 -20.981 -20.467 1.00 38.77 C
537
+ ATOM 537 CD ARG A 68 -32.468 -19.732 -19.662 1.00 49.42 C
538
+ ATOM 538 NE ARG A 68 -31.608 -18.602 -19.996 1.00 75.62 N
539
+ ATOM 539 CZ ARG A 68 -32.049 -17.462 -20.516 1.00 90.27 C
540
+ ATOM 540 NH1 ARG A 68 -33.343 -17.300 -20.758 1.00 86.84 N
541
+ ATOM 541 NH2 ARG A 68 -31.198 -16.482 -20.789 1.00 89.56 N
542
+ ATOM 542 N PRO A 69 -30.802 -23.995 -21.674 1.00 20.53 N
543
+ ATOM 543 CA PRO A 69 -29.448 -24.462 -21.370 1.00 19.75 C
544
+ ATOM 544 C PRO A 69 -28.644 -23.417 -20.614 1.00 24.37 C
545
+ ATOM 545 O PRO A 69 -28.858 -22.222 -20.807 1.00 24.73 O
546
+ ATOM 546 CB PRO A 69 -28.836 -24.724 -22.751 1.00 21.87 C
547
+ ATOM 547 CG PRO A 69 -29.622 -23.871 -23.679 1.00 28.08 C
548
+ ATOM 548 CD PRO A 69 -31.016 -23.806 -23.118 1.00 25.89 C
549
+ ATOM 549 N GLU A 70 -27.733 -23.875 -19.764 1.00 20.34 N
550
+ ATOM 550 CA GLU A 70 -26.935 -22.986 -18.923 1.00 25.63 C
551
+ ATOM 551 C GLU A 70 -25.484 -23.441 -18.881 1.00 23.38 C
552
+ ATOM 552 O GLU A 70 -25.188 -24.608 -19.130 1.00 19.98 O
553
+ ATOM 553 CB GLU A 70 -27.505 -22.945 -17.499 1.00 26.98 C
554
+ ATOM 554 CG GLU A 70 -28.913 -22.380 -17.381 1.00 30.27 C
555
+ ATOM 555 CD GLU A 70 -28.980 -20.882 -17.646 1.00 44.01 C
556
+ ATOM 556 OE1 GLU A 70 -27.915 -20.238 -17.748 1.00 38.01 O
557
+ ATOM 557 OE2 GLU A 70 -30.103 -20.342 -17.739 1.00 38.79 O
558
+ ATOM 558 N PRO A 71 -24.563 -22.525 -18.549 1.00 21.49 N
559
+ ATOM 559 CA PRO A 71 -23.174 -22.938 -18.353 1.00 20.79 C
560
+ ATOM 560 C PRO A 71 -23.050 -23.896 -17.178 1.00 19.42 C
561
+ ATOM 561 O PRO A 71 -23.914 -23.891 -16.294 1.00 23.88 O
562
+ ATOM 562 CB PRO A 71 -22.449 -21.620 -18.062 1.00 28.08 C
563
+ ATOM 563 CG PRO A 71 -23.313 -20.577 -18.661 1.00 28.24 C
564
+ ATOM 564 CD PRO A 71 -24.719 -21.063 -18.483 1.00 28.25 C
565
+ ATOM 565 N VAL A 72 -22.010 -24.720 -17.177 1.00 22.26 N
566
+ ATOM 566 CA VAL A 72 -21.781 -25.641 -16.064 1.00 23.43 C
567
+ ATOM 567 C VAL A 72 -20.441 -25.364 -15.393 1.00 24.22 C
568
+ ATOM 568 O VAL A 72 -19.399 -25.302 -16.044 1.00 26.19 O
569
+ ATOM 569 CB VAL A 72 -21.846 -27.131 -16.520 1.00 22.51 C
570
+ ATOM 570 CG1 VAL A 72 -21.079 -28.038 -15.551 1.00 26.51 C
571
+ ATOM 571 CG2 VAL A 72 -23.294 -27.583 -16.657 1.00 23.93 C
572
+ ATOM 572 N ASP A 73 -20.497 -25.170 -14.078 1.00 26.15 N
573
+ ATOM 573 CA ASP A 73 -19.321 -25.066 -13.227 1.00 27.25 C
574
+ ATOM 574 C ASP A 73 -19.042 -26.458 -12.679 1.00 23.23 C
575
+ ATOM 575 O ASP A 73 -19.822 -26.968 -11.880 1.00 29.38 O
576
+ ATOM 576 CB ASP A 73 -19.583 -24.055 -12.097 1.00 28.00 C
577
+ ATOM 577 CG ASP A 73 -18.400 -23.879 -11.144 1.00 40.82 C
578
+ ATOM 578 OD1 ASP A 73 -17.488 -24.731 -11.099 1.00 36.87 O
579
+ ATOM 579 OD2 ASP A 73 -18.400 -22.867 -10.410 1.00 47.53 O
580
+ ATOM 580 N PHE A 74 -17.946 -27.075 -13.107 1.00 26.27 N
581
+ ATOM 581 CA PHE A 74 -17.695 -28.468 -12.733 1.00 24.41 C
582
+ ATOM 582 C PHE A 74 -17.324 -28.626 -11.261 1.00 33.28 C
583
+ ATOM 583 O PHE A 74 -17.544 -29.689 -10.682 1.00 29.00 O
584
+ ATOM 584 CB PHE A 74 -16.617 -29.081 -13.626 1.00 24.87 C
585
+ ATOM 585 CG PHE A 74 -17.172 -29.726 -14.867 1.00 22.90 C
586
+ ATOM 586 CD1 PHE A 74 -17.471 -31.077 -14.887 1.00 23.51 C
587
+ ATOM 587 CD2 PHE A 74 -17.427 -28.969 -16.003 1.00 28.85 C
588
+ ATOM 588 CE1 PHE A 74 -18.001 -31.669 -16.024 1.00 22.97 C
589
+ ATOM 589 CE2 PHE A 74 -17.953 -29.556 -17.140 1.00 22.08 C
590
+ ATOM 590 CZ PHE A 74 -18.241 -30.903 -17.151 1.00 21.60 C
591
+ ATOM 591 N ASP A 75 -16.778 -27.575 -10.655 1.00 34.67 N
592
+ ATOM 592 CA ASP A 75 -16.520 -27.594 -9.216 1.00 33.10 C
593
+ ATOM 593 C ASP A 75 -17.834 -27.671 -8.459 1.00 28.32 C
594
+ ATOM 594 O ASP A 75 -17.999 -28.489 -7.549 1.00 30.37 O
595
+ ATOM 595 CB ASP A 75 -15.727 -26.356 -8.780 1.00 35.64 C
596
+ ATOM 596 CG ASP A 75 -14.260 -26.445 -9.150 1.00 43.12 C
597
+ ATOM 597 OD1 ASP A 75 -13.725 -27.573 -9.184 1.00 48.04 O
598
+ ATOM 598 OD2 ASP A 75 -13.643 -25.388 -9.407 1.00 58.94 O
599
+ ATOM 599 N ALA A 76 -18.773 -26.818 -8.849 1.00 31.76 N
600
+ ATOM 600 CA ALA A 76 -20.095 -26.788 -8.243 1.00 29.05 C
601
+ ATOM 601 C ALA A 76 -20.866 -28.061 -8.560 1.00 30.40 C
602
+ ATOM 602 O ALA A 76 -21.598 -28.581 -7.719 1.00 32.37 O
603
+ ATOM 603 CB ALA A 76 -20.869 -25.570 -8.722 1.00 35.61 C
604
+ ATOM 604 N LEU A 77 -20.702 -28.555 -9.783 1.00 27.39 N
605
+ ATOM 605 CA LEU A 77 -21.361 -29.786 -10.201 1.00 22.92 C
606
+ ATOM 606 C LEU A 77 -20.898 -30.988 -9.373 1.00 23.16 C
607
+ ATOM 607 O LEU A 77 -21.709 -31.828 -8.976 1.00 25.65 O
608
+ ATOM 608 CB LEU A 77 -21.101 -30.041 -11.689 1.00 22.60 C
609
+ ATOM 609 CG LEU A 77 -21.961 -31.124 -12.337 1.00 26.94 C
610
+ ATOM 610 CD1 LEU A 77 -23.431 -30.770 -12.238 1.00 26.17 C
611
+ ATOM 611 CD2 LEU A 77 -21.549 -31.313 -13.788 1.00 30.82 C
612
+ ATOM 612 N ARG A 78 -19.596 -31.067 -9.123 1.00 26.38 N
613
+ ATOM 613 CA ARG A 78 -19.036 -32.149 -8.322 1.00 27.28 C
614
+ ATOM 614 C ARG A 78 -19.622 -32.126 -6.915 1.00 29.69 C
615
+ ATOM 615 O ARG A 78 -20.009 -33.162 -6.377 1.00 28.43 O
616
+ ATOM 616 CB ARG A 78 -17.515 -32.047 -8.269 1.00 26.92 C
617
+ ATOM 617 CG ARG A 78 -16.855 -33.030 -7.315 1.00 34.21 C
618
+ ATOM 618 CD ARG A 78 -15.350 -32.821 -7.272 1.00 37.57 C
619
+ ATOM 619 NE ARG A 78 -14.683 -33.405 -8.433 1.00 53.42 N
620
+ ATOM 620 CZ ARG A 78 -14.352 -32.733 -9.532 1.00 48.87 C
621
+ ATOM 621 NH1 ARG A 78 -14.623 -31.436 -9.629 1.00 45.71 N
622
+ ATOM 622 NH2 ARG A 78 -13.745 -33.362 -10.534 1.00 33.33 N
623
+ ATOM 623 N LYS A 79 -19.704 -30.936 -6.328 1.00 32.39 N
624
+ ATOM 624 CA LYS A 79 -20.281 -30.792 -4.999 1.00 30.85 C
625
+ ATOM 625 C LYS A 79 -21.731 -31.262 -5.001 1.00 27.06 C
626
+ ATOM 626 O LYS A 79 -22.187 -31.925 -4.072 1.00 29.28 O
627
+ ATOM 627 CB LYS A 79 -20.184 -29.337 -4.519 1.00 31.99 C
628
+ ATOM 628 N GLU A 80 -22.452 -30.939 -6.066 1.00 27.47 N
629
+ ATOM 629 CA GLU A 80 -23.843 -31.336 -6.174 1.00 25.77 C
630
+ ATOM 630 C GLU A 80 -23.998 -32.851 -6.363 1.00 25.46 C
631
+ ATOM 631 O GLU A 80 -24.921 -33.459 -5.820 1.00 23.19 O
632
+ ATOM 632 CB GLU A 80 -24.510 -30.578 -7.324 1.00 30.60 C
633
+ ATOM 633 CG GLU A 80 -25.955 -30.937 -7.534 1.00 28.46 C
634
+ ATOM 634 CD GLU A 80 -26.639 -30.020 -8.534 1.00 32.60 C
635
+ ATOM 635 OE1 GLU A 80 -25.991 -29.066 -9.019 1.00 39.00 O
636
+ ATOM 636 OE2 GLU A 80 -27.826 -30.254 -8.827 1.00 39.85 O
637
+ ATOM 637 N ALA A 81 -23.098 -33.462 -7.130 1.00 24.71 N
638
+ ATOM 638 CA ALA A 81 -23.152 -34.908 -7.326 1.00 24.49 C
639
+ ATOM 639 C ALA A 81 -22.843 -35.654 -6.028 1.00 22.45 C
640
+ ATOM 640 O ALA A 81 -23.482 -36.657 -5.722 1.00 21.73 O
641
+ ATOM 641 CB ALA A 81 -22.191 -35.336 -8.428 1.00 20.60 C
642
+ ATOM 642 N ARG A 82 -21.867 -35.162 -5.267 1.00 26.52 N
643
+ ATOM 643 CA ARG A 82 -21.539 -35.773 -3.976 1.00 26.55 C
644
+ ATOM 644 C ARG A 82 -22.693 -35.612 -2.986 1.00 28.48 C
645
+ ATOM 645 O ARG A 82 -22.959 -36.506 -2.183 1.00 27.48 O
646
+ ATOM 646 CB ARG A 82 -20.241 -35.183 -3.407 1.00 25.20 C
647
+ ATOM 647 CG ARG A 82 -19.005 -35.480 -4.263 1.00 26.85 C
648
+ ATOM 648 CD ARG A 82 -17.698 -35.118 -3.559 1.00 30.77 C
649
+ ATOM 649 NE ARG A 82 -16.518 -35.488 -4.347 1.00 27.32 N
650
+ ATOM 650 CZ ARG A 82 -15.271 -35.460 -3.886 1.00 36.09 C
651
+ ATOM 651 NH1 ARG A 82 -15.036 -35.085 -2.634 1.00 39.39 N
652
+ ATOM 652 NH2 ARG A 82 -14.255 -35.800 -4.670 1.00 31.86 N
653
+ ATOM 653 N GLN A 83 -23.397 -34.486 -3.055 1.00 27.72 N
654
+ ATOM 654 CA GLN A 83 -24.622 -34.325 -2.280 1.00 27.87 C
655
+ ATOM 655 C GLN A 83 -25.657 -35.388 -2.647 1.00 28.62 C
656
+ ATOM 656 O GLN A 83 -26.326 -35.949 -1.778 1.00 28.16 O
657
+ ATOM 657 CB GLN A 83 -25.216 -32.929 -2.486 1.00 33.09 C
658
+ ATOM 658 CG GLN A 83 -24.462 -31.812 -1.787 1.00 35.60 C
659
+ ATOM 659 CD GLN A 83 -25.139 -30.463 -1.964 1.00 50.08 C
660
+ ATOM 660 OE1 GLN A 83 -25.207 -29.933 -3.073 1.00 42.68 O
661
+ ATOM 661 NE2 GLN A 83 -25.650 -29.905 -0.870 1.00 52.75 N
662
+ ATOM 662 N LYS A 84 -25.784 -35.666 -3.943 1.00 27.59 N
663
+ ATOM 663 CA LYS A 84 -26.750 -36.649 -4.423 1.00 30.48 C
664
+ ATOM 664 C LYS A 84 -26.418 -38.041 -3.888 1.00 21.39 C
665
+ ATOM 665 O LYS A 84 -27.307 -38.827 -3.564 1.00 26.47 O
666
+ ATOM 666 CB LYS A 84 -26.780 -36.653 -5.958 1.00 23.89 C
667
+ ATOM 667 CG LYS A 84 -27.968 -37.376 -6.570 1.00 37.25 C
668
+ ATOM 668 CD LYS A 84 -29.248 -36.569 -6.419 1.00 44.80 C
669
+ ATOM 669 CE LYS A 84 -30.396 -37.200 -7.197 1.00 54.55 C
670
+ ATOM 670 NZ LYS A 84 -30.145 -37.201 -8.669 1.00 52.14 N
671
+ ATOM 671 N LEU A 85 -25.128 -38.333 -3.792 1.00 23.12 N
672
+ ATOM 672 CA LEU A 85 -24.653 -39.603 -3.258 1.00 21.44 C
673
+ ATOM 673 C LEU A 85 -24.998 -39.815 -1.786 1.00 26.56 C
674
+ ATOM 674 O LEU A 85 -25.000 -40.944 -1.302 1.00 29.35 O
675
+ ATOM 675 CB LEU A 85 -23.141 -39.704 -3.431 1.00 23.91 C
676
+ ATOM 676 CG LEU A 85 -22.645 -40.264 -4.762 1.00 24.14 C
677
+ ATOM 677 CD1 LEU A 85 -21.150 -40.058 -4.883 1.00 24.98 C
678
+ ATOM 678 CD2 LEU A 85 -23.010 -41.739 -4.879 1.00 19.98 C
679
+ ATOM 679 N THR A 86 -25.263 -38.735 -1.063 1.00 26.29 N
680
+ ATOM 680 CA THR A 86 -25.522 -38.857 0.369 1.00 32.17 C
681
+ ATOM 681 C THR A 86 -26.929 -38.383 0.718 1.00 41.09 C
682
+ ATOM 682 O THR A 86 -27.123 -37.654 1.695 1.00 36.52 O
683
+ ATOM 683 CB THR A 86 -24.491 -38.070 1.194 1.00 26.48 C
684
+ ATOM 684 OG1 THR A 86 -24.416 -36.724 0.716 1.00 29.58 O
685
+ ATOM 685 CG2 THR A 86 -23.112 -38.709 1.071 1.00 23.84 C
686
+ ATOM 686 N GLU A 87 -27.891 -38.823 -0.093 1.00 42.53 N
687
+ ATOM 687 CA GLU A 87 -29.309 -38.479 0.031 1.00 47.43 C
688
+ ATOM 688 C GLU A 87 -29.532 -37.010 -0.295 1.00 52.03 C
689
+ ATOM 689 O GLU A 87 -29.742 -36.655 -1.457 1.00 50.45 O
690
+ ATOM 690 CB GLU A 87 -29.845 -38.809 1.428 1.00 46.55 C
691
+ ATOM 691 CG GLU A 87 -31.321 -38.485 1.635 1.00 41.31 C
692
+ ATOM 692 CD GLU A 87 -32.239 -39.575 1.119 1.00 54.64 C
693
+ ATOM 693 OE1 GLU A 87 -32.081 -40.740 1.543 1.00 60.68 O
694
+ ATOM 694 OE2 GLU A 87 -33.117 -39.270 0.286 1.00 49.68 O
695
+ HETATM 695 C1 GOL A 101 -36.243 -50.061 -39.689 1.00 22.42 C
696
+ HETATM 696 O1 GOL A 101 -35.047 -50.267 -38.948 1.00 22.92 O
697
+ HETATM 697 C2 GOL A 101 -36.178 -50.804 -41.016 1.00 26.24 C
698
+ HETATM 698 O2 GOL A 101 -34.906 -50.621 -41.598 1.00 28.44 O
699
+ HETATM 699 C3 GOL A 101 -37.234 -50.229 -41.954 1.00 27.37 C
700
+ HETATM 700 O3 GOL A 101 -37.107 -50.805 -43.239 1.00 38.64 O
701
+ HETATM 701 I IOD A 102 -37.928 -42.630 -33.855 0.57 16.77 I
702
+ HETATM 702 I IOD A 103 -34.206 -30.405 -32.666 0.46 20.64 I
703
+ HETATM 703 O HOH A 201 -30.965 -36.643 -3.408 1.00 49.67 O
704
+ HETATM 704 O HOH A 202 -5.349 -64.318 -48.588 1.00 45.38 O
705
+ HETATM 705 O HOH A 203 -32.484 -47.158 -45.289 1.00 34.31 O
706
+ HETATM 706 O HOH A 204 -6.656 -71.693 -51.446 1.00 41.81 O
707
+ HETATM 707 O HOH A 205 -35.068 -52.915 -33.690 1.00 24.98 O
708
+ HETATM 708 O HOH A 206 -35.260 -67.032 -53.008 1.00 30.74 O
709
+ HETATM 709 O HOH A 207 -29.421 -29.967 -10.780 1.00 37.48 O
710
+ HETATM 710 O HOH A 208 -33.277 -27.794 -23.652 1.00 27.73 O
711
+ HETATM 711 O HOH A 209 -33.653 -41.963 -0.101 1.00 50.44 O
712
+ HETATM 712 O HOH A 210 -37.804 -38.937 -29.975 1.00 23.91 O
713
+ HETATM 713 O HOH A 211 -34.127 -51.525 -35.915 1.00 19.79 O
714
+ HETATM 714 O HOH A 212 -27.414 -32.897 -5.259 1.00 44.93 O
715
+ HETATM 715 O HOH A 213 -11.218 -74.360 -43.381 1.00 20.28 O
716
+ HETATM 716 O HOH A 214 -16.471 -34.318 -0.557 1.00 35.83 O
717
+ HETATM 717 O HOH A 215 -31.736 -53.974 -41.914 1.00 15.52 O
718
+ HETATM 718 O HOH A 216 -7.928 -68.977 -45.389 1.00 30.98 O
719
+ HETATM 719 O HOH A 217 -34.273 -38.649 -17.999 1.00 35.99 O
720
+ HETATM 720 O HOH A 218 -16.146 -29.385 -5.841 1.00 41.61 O
721
+ HETATM 721 O HOH A 219 -32.225 -24.168 -16.964 1.00 31.79 O
722
+ HETATM 722 O HOH A 220 -32.886 -54.606 -33.565 1.00 28.12 O
723
+ HETATM 723 O HOH A 221 -28.974 -48.335 -28.611 1.00 16.35 O
724
+ HETATM 724 O HOH A 222 -36.312 -32.239 -30.807 1.00 16.30 O
725
+ HETATM 725 O HOH A 223 -16.154 -71.092 -42.323 1.00 24.39 O
726
+ HETATM 726 O HOH A 224 -7.572 -61.217 -55.070 1.00 29.36 O
727
+ HETATM 727 O HOH A 225 -21.590 -59.420 -42.462 0.50 8.08 O
728
+ HETATM 728 O HOH A 226 -25.516 -65.443 -38.588 1.00 14.27 O
729
+ HETATM 729 O HOH A 227 -37.493 -33.197 -21.551 1.00 24.53 O
730
+ HETATM 730 O HOH A 228 -6.932 -66.949 -52.244 1.00 41.16 O
731
+ HETATM 731 O HOH A 229 -17.104 -75.451 -54.785 1.00 33.00 O
732
+ HETATM 732 O HOH A 230 -37.390 -31.823 -28.287 1.00 20.07 O
733
+ HETATM 733 O HOH A 231 -22.951 -26.961 -5.960 1.00 37.38 O
734
+ HETATM 734 O HOH A 232 -5.737 -65.576 -45.825 1.00 49.67 O
735
+ HETATM 735 O HOH A 233 -33.585 -47.913 -29.802 1.00 19.79 O
736
+ HETATM 736 O HOH A 234 -30.327 -52.621 -29.895 1.00 19.55 O
737
+ HETATM 737 O HOH A 235 -9.598 -55.421 -47.814 1.00 22.66 O
738
+ HETATM 738 O HOH A 236 -35.938 -30.252 -17.107 1.00 44.27 O
739
+ HETATM 739 O HOH A 237 -20.827 -61.605 -40.817 1.00 10.43 O
740
+ HETATM 740 O HOH A 238 -36.429 -26.746 -23.936 1.00 27.04 O
741
+ HETATM 741 O HOH A 239 -33.070 -40.119 -20.235 1.00 20.67 O
742
+ HETATM 742 O HOH A 240 -38.541 -40.035 -24.479 1.00 29.00 O
743
+ HETATM 743 O HOH A 241 -35.124 -52.734 -43.853 1.00 31.45 O
744
+ HETATM 744 O HOH A 242 -36.735 -42.869 -30.868 1.00 24.40 O
745
+ HETATM 745 O HOH A 243 -35.286 -42.551 -22.111 1.00 29.98 O
746
+ HETATM 746 O HOH A 244 -38.230 -36.944 -19.447 1.00 45.93 O
747
+ HETATM 747 O HOH A 245 -16.270 -75.933 -52.137 1.00 27.33 O
748
+ HETATM 748 O HOH A 246 -35.236 -49.229 -31.566 1.00 22.16 O
749
+ HETATM 749 O HOH A 247 -38.309 -45.735 -24.637 1.00 48.09 O
750
+ HETATM 750 O HOH A 248 -20.629 -31.918 -1.663 1.00 33.10 O
751
+ HETATM 751 O HOH A 249 -37.786 -38.212 -26.457 1.00 22.15 O
752
+ HETATM 752 O HOH A 250 -24.311 -53.735 -57.824 1.00 39.48 O
753
+ HETATM 753 O HOH A 251 -7.931 -72.671 -49.447 1.00 25.40 O
754
+ HETATM 754 O HOH A 252 -25.991 -25.694 -15.428 1.00 34.15 O
755
+ HETATM 755 O HOH A 253 -17.294 -72.360 -56.771 1.00 38.16 O
756
+ HETATM 756 O HOH A 254 -25.096 -59.105 -37.197 1.00 30.41 O
757
+ HETATM 757 O HOH A 255 -28.217 -65.671 -46.843 1.00 31.86 O
758
+ HETATM 758 O HOH A 256 -12.420 -76.602 -44.450 1.00 35.00 O
759
+ HETATM 759 O HOH A 257 -17.043 -79.438 -47.654 1.00 50.24 O
760
+ HETATM 760 O HOH A 258 -32.812 -42.964 -20.188 1.00 40.98 O
761
+ HETATM 761 O HOH A 259 -29.547 -34.207 -3.041 1.00 52.48 O
762
+ HETATM 762 O HOH A 260 -36.232 -23.303 -18.738 1.00 37.31 O
763
+ HETATM 763 O HOH A 261 -35.907 -26.840 -28.279 1.00 32.48 O
764
+ HETATM 764 O HOH A 262 -25.493 -55.368 -61.102 1.00 48.18 O
765
+ HETATM 765 O HOH A 263 -24.749 -52.126 -35.321 1.00 19.02 O
766
+ HETATM 766 O HOH A 264 -17.110 -68.975 -56.286 1.00 29.42 O
767
+ HETATM 767 O HOH A 265 -19.249 -58.913 -63.037 1.00 42.90 O
768
+ HETATM 768 O HOH A 266 -18.612 -26.253 -18.780 1.00 34.88 O
769
+ HETATM 769 O HOH A 267 -19.326 -76.292 -48.685 1.00 27.64 O
770
+ HETATM 770 O HOH A 268 -32.691 -58.836 -39.363 1.00 36.29 O
771
+ HETATM 771 O HOH A 269 -13.915 -64.772 -54.548 1.00 42.47 O
772
+ HETATM 772 O HOH A 270 -34.923 -46.207 -28.066 1.00 34.23 O
773
+ HETATM 773 O HOH A 271 -26.685 -61.965 -37.561 1.00 30.17 O
774
+ HETATM 774 O HOH A 272 -5.573 -52.979 -52.412 1.00 45.86 O
775
+ HETATM 775 O HOH A 273 -31.189 -61.166 -61.933 1.00 45.38 O
776
+ HETATM 776 O HOH A 274 -39.260 -27.615 -20.002 1.00 49.32 O
777
+ HETATM 777 O HOH A 275 -12.419 -70.600 -55.214 1.00 37.95 O
778
+ HETATM 778 O HOH A 276 -34.002 -55.396 -42.576 1.00 27.79 O
779
+ HETATM 779 O HOH A 277 -25.101 -32.049 1.720 1.00 38.71 O
780
+ HETATM 780 O HOH A 278 -33.618 -61.765 -43.949 1.00 30.18 O
781
+ HETATM 781 O HOH A 279 -28.311 -46.023 -40.781 1.00 32.00 O
782
+ HETATM 782 O HOH A 280 -35.337 -23.901 -24.227 1.00 45.92 O
783
+ HETATM 783 O HOH A 281 -31.333 -38.903 -3.660 1.00 52.24 O
784
+ HETATM 784 O HOH A 282 -14.015 -77.717 -52.292 1.00 43.89 O
785
+ HETATM 785 O HOH A 283 -32.872 -24.486 -26.468 1.00 47.63 O
786
+ HETATM 786 O HOH A 284 -38.914 -35.822 -25.030 1.00 28.47 O
787
+ HETATM 787 O HOH A 285 -32.408 -48.407 -25.499 1.00 31.94 O
788
+ HETATM 788 O HOH A 286 -39.495 -26.715 -24.044 1.00 48.16 O
789
+ HETATM 789 O HOH A 287 -35.294 -62.465 -37.639 1.00 21.49 O
790
+ HETATM 790 O HOH A 288 -28.023 -42.413 0.821 1.00 46.54 O
791
+ HETATM 791 O HOH A 289 -18.434 -77.300 -50.974 1.00 35.72 O
792
+ HETATM 792 O HOH A 290 -13.019 -79.280 -50.512 1.00 46.33 O
793
+ HETATM 793 O HOH A 291 -21.590 -33.003 0.000 0.50 43.38 O
794
+ HETATM 794 O HOH A 292 -33.389 -59.652 -41.522 1.00 44.87 O
795
+ HETATM 795 O HOH A 293 -32.903 -36.789 -17.059 1.00 40.80 O
796
+ HETATM 796 O HOH A 294 -22.359 -58.277 -38.300 1.00 15.33 O
797
+ HETATM 797 O HOH A 295 -15.116 -76.819 -43.539 1.00 31.35 O
798
+ HETATM 798 O HOH A 296 -12.787 -77.239 -54.629 1.00 50.04 O
799
+ HETATM 799 O HOH A 297 -16.412 -31.356 -4.033 1.00 42.85 O
800
+ HETATM 800 O HOH A 298 -34.960 -55.308 -32.737 1.00 50.47 O
801
+ HETATM 801 O HOH A 299 -34.852 -25.453 -16.359 1.00 45.05 O
802
+ HETATM 802 O HOH A 300 -30.205 -34.316 -11.638 1.00 31.40 O
803
+ HETATM 803 O HOH A 301 -21.590 -30.208 0.000 0.50 34.14 O
804
+ HETATM 804 O HOH A 302 -5.777 -71.443 -48.129 1.00 30.83 O
805
+ HETATM 805 O HOH A 303 -39.206 -35.048 -22.400 1.00 33.92 O
806
+ HETATM 806 O HOH A 304 -21.210 -24.708 -5.524 1.00 48.81 O
807
+ HETATM 807 O HOH A 305 -29.992 -26.207 -15.756 1.00 37.15 O
808
+ HETATM 808 O HOH A 306 -38.352 -24.271 -18.929 1.00 57.17 O
809
+ HETATM 809 O HOH A 307 -14.412 -68.806 -55.537 1.00 35.16 O
810
+ HETATM 810 O HOH A 308 -33.890 -27.534 -14.734 1.00 46.50 O
811
+ HETATM 811 O HOH A 309 -26.703 -53.133 -57.848 1.00 47.43 O
812
+ TER 812 HOH A 309
813
+ END
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