Ticket #576: 1pmx.pdb

File 1pmx.pdb, 124.7 KB (added by tic20@…, 8 years ago)

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1HEADER HORMONE/GROWTH FACTOR 11-JUN-03 1PMX
2TITLE INSULIN-LIKE GROWTH FACTOR-I BOUND TO A PHAGE-DERIVED
3TITLE 2 PEPTIDE
4COMPND MOL_ID: 1;
5COMPND 2 MOLECULE: INSULIN-LIKE GROWTH FACTOR IB;
6COMPND 3 CHAIN: A;
7COMPND 4 SYNONYM: IGF-IB, SOMATOMEDIN C;
8COMPND 5 ENGINEERED: YES;
9COMPND 6 MOL_ID: 2;
10COMPND 7 MOLECULE: IGF-1 ANTAGONIST F1-1;
11COMPND 8 CHAIN: B;
12COMPND 9 ENGINEERED: YES
13SOURCE MOL_ID: 1;
14SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
15SOURCE 3 ORGANISM_COMMON: HUMAN;
16SOURCE 4 ORGANISM_TAXID: 9606;
17SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
18SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
19SOURCE 7 EXPRESSION_SYSTEM_STRAIN: 43E7;
20SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
21SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PBKIGF2B;
22SOURCE 10 MOL_ID: 2;
23SOURCE 11 SYNTHETIC: YES;
24SOURCE 12 OTHER_DETAILS: SEQUENCE DERIVED FROM PHAGE DISPLAY LIBRARY
25SOURCE 13 AND PREPARED BY CHEMICAL SYNTHESIS
26KEYWDS IGF-I, PEPTIDE BINDING, HIGH AFFINITY LIGAND,
27KEYWDS 2 HORMONE/GROWTH FACTOR COMPLEX
28EXPDTA SOLUTION NMR
29NUMMDL 20
30AUTHOR N.J.SKELTON
31REVDAT 2 24-FEB-09 1PMX 1 VERSN
32REVDAT 1 21-OCT-03 1PMX 0
33JRNL AUTH M.L.SCHAFFER,K.DESHAYES,G.NAKAMURA,S.SIDHU,
34JRNL AUTH 2 N.J.SKELTON
35JRNL TITL COMPLEX WITH A PHAGE DISPLAY-DERIVED PEPTIDE
36JRNL TITL 2 PROVIDES INSIGHT INTO THE FUNCTION OF INSULIN-LIKE
37JRNL TITL 3 GROWTH FACTOR I
38JRNL REF BIOCHEMISTRY V. 42 9324 2003
39JRNL REFN ISSN 0006-2960
40JRNL PMID 12899619
41JRNL DOI 10.1021/BI034386C
42REMARK 1
43REMARK 1 REFERENCE 1
44REMARK 1 AUTH K.DESHAYES,M.L.SCHAFFER,N.J.SKELTON,G.R.NAKAMURA,
45REMARK 1 AUTH 2 S.KADKHODAYAN,S.S.SIDHU
46REMARK 1 TITL RAPID IDENTIFICATION OF SMALL BINDING MOTIFS WITH
47REMARK 1 TITL 2 HIGH-THROUGHPUT PHAGE DISPLAY. DISCOVERY OF
48REMARK 1 TITL 3 PEPTIDIC ANTAGONISTS OF IGF-1 FUNCTION
49REMARK 1 REF CHEM.BIOL. V. 9 495 2002
50REMARK 1 REFN ISSN 1074-5521
51REMARK 1 DOI 10.1016/S1074-5521(02)00129-1
52REMARK 2
53REMARK 2 RESOLUTION. NOT APPLICABLE.
54REMARK 3
55REMARK 3 REFINEMENT.
56REMARK 3 PROGRAM : CNS 2000.1
57REMARK 3 AUTHORS : ACCELRYS
58REMARK 3
59REMARK 3 OTHER REFINEMENT REMARKS: THE COMPLEX WAS DETERMINED USING A
60REMARK 3 TOTAL OF 905 NOE DISTANCE RESTRAINTS (146 INTRA RESIDUE, 203
61REMARK 3 SEQUENTIAL, 232 MEDIUM RANGE, 237 LONG-RANGE AND 87
62REMARK 3 INTERMOLECULAR), 24 HYDROGEN BOND RESTRAINTS, 139 DIHEDRAL
63REMARK 3 ANGLE RESTRAINTS (72 PHI, 44 PSI AND 23 CHI-1). THE BEST 20
64REMARK 3 CONFORMERS (OF 100) HAD NO DISTANCE VIOLATIONS GREATER THAN
65REMARK 3 0.11A AND NO DIHEDRAL ANGLE VIOLATIONS GREATER THAN 1.5
66REMARK 3 DEGREES. RMSD FROM EXPERIMENTAL DISTANCE RESTRAINTS WAS
67REMARK 3 0.0049+/-0.0008. THE MEAN BACKBONE RMSD FROM THE MEAN
68REMARK 3 STRUCTURE WAS 0.35 +/- 0.06 A FOR N, CA AND C ATOMS OF
69REMARK 3 RESIDUES 3-26, 42-63 OF IGF-I AND RESIDUES 3-15 OF THE
70REMARK 3 PEPTIDE. 82% (17%) OF RESIDUES WERE IN THE MOST FAVOURED
71REMARK 3 (ALLOWED) REGION OF PHI/PSI SPACE; NO RESIDUES WERE
72REMARK 3 CONSISTENTLY IN THE DISALLOWED REGION.
73REMARK 4
74REMARK 4 1PMX COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
75REMARK 100
76REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-JUN-03.
77REMARK 100 THE RCSB ID CODE IS RCSB019435.
78REMARK 210
79REMARK 210 EXPERIMENTAL DETAILS
80REMARK 210 EXPERIMENT TYPE : NMR
81REMARK 210 TEMPERATURE (KELVIN) : 313
82REMARK 210 PH : 5.1
83REMARK 210 IONIC STRENGTH : 25 MM
84REMARK 210 PRESSURE : 1 ATM
85REMARK 210 SAMPLE CONTENTS : 1.4 MM IGF-I (15N), 2.0 MM
86REMARK 210 PEPTIDE, 25 MM SODIUM ACETATE;
87REMARK 210 1.4 MM IGF-I (13C,15N), 2.0 MM
88REMARK 210 PEPTIDE, 25 MM SODIUM ACETATE;
89REMARK 210 1.4 MM IGF-I (13C,15N), 2.0 MM
90REMARK 210 PEPTIDE, 25 MM SODIUM ACETATE
91REMARK 210
92REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, HNHA,
93REMARK 210 D-HNHB, 3D 15N-SEPARATED LOW
94REMARK 210 MIXING TIME TOCSY, 2D-15N-
95REMARK 210 FILTERED NOESY, 3D_13C-
96REMARK 210 SEPARATED_NOESY, 3D-13_
97REMARK 210 FILTERED, 13C-EDITED NOESY, 2D
98REMARK 210 -13C-FILTERED NOESY
99REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 800 MHZ
100REMARK 210 SPECTROMETER MODEL : DRX
101REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
102REMARK 210
103REMARK 210 STRUCTURE DETERMINATION.
104REMARK 210 SOFTWARE USED : XWINNMR 3.1, FELIX 98
105REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
106REMARK 210 SIMULATED ANNEALING
107REMARK 210
108REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
109REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
110REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST VIOLATION OF
111REMARK 210 EXPERIMENTAL RESTRAINTS
112REMARK 210
113REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
114REMARK 210
115REMARK 210 REMARK: THE RESONANCE ASSIGNMENTS WERE DETERMINED USING TRIPLE-
116REMARK 210 RESONANCE NMR SPECTROSCOPY.
117REMARK 215
118REMARK 215 NMR STUDY
119REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
120REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
121REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
122REMARK 215 THESE RECORDS ARE MEANINGLESS.
123REMARK 500
124REMARK 500 GEOMETRY AND STEREOCHEMISTRY
125REMARK 500 SUBTOPIC: TORSION ANGLES
126REMARK 500
127REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
128REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
129REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
130REMARK 500
131REMARK 500 STANDARD TABLE:
132REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
133REMARK 500
134REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
135REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
136REMARK 500
137REMARK 500 M RES CSSEQI PSI PHI
138REMARK 500 1 THR A 29 -47.15 -151.29
139REMARK 500 1 SER A 33 -48.76 -150.06
140REMARK 500 1 CYS A 52 -163.05 -105.49
141REMARK 500 1 LEU A 64 170.95 -58.34
142REMARK 500 1 PRO A 66 -169.18 -69.85
143REMARK 500 2 PRO A 2 -168.80 -72.90
144REMARK 500 2 THR A 29 -46.65 -172.58
145REMARK 500 2 SER A 34 -56.39 -157.80
146REMARK 500 2 THR A 41 127.77 -177.56
147REMARK 500 2 LEU A 64 -179.73 -58.16
148REMARK 500 2 ALA A 67 -68.00 -156.45
149REMARK 500 2 PHE B 104 36.37 -97.92
150REMARK 500 3 PHE A 25 -75.00 -59.23
151REMARK 500 3 SER A 34 -65.24 -94.41
152REMARK 500 3 ARG A 36 -68.92 -105.32
153REMARK 500 3 ARG A 37 34.73 -162.92
154REMARK 500 3 PRO A 39 -168.64 -73.33
155REMARK 500 3 PHE B 104 46.57 -94.63
156REMARK 500 4 THR A 29 32.22 -164.42
157REMARK 500 4 SER A 35 -65.54 -148.80
158REMARK 500 4 ALA A 38 -64.17 -168.94
159REMARK 500 4 PHE B 104 32.84 -96.52
160REMARK 500 5 PRO A 2 -168.71 -71.84
161REMARK 500 5 SER A 34 -63.37 -147.55
162REMARK 500 5 SER A 35 -74.83 -159.45
163REMARK 500 5 LEU A 64 176.33 -59.22
164REMARK 500 5 PRO A 66 83.21 -61.47
165REMARK 500 5 ALA A 67 -176.21 -175.58
166REMARK 500 6 ALA A 67 -51.89 -152.45
167REMARK 500 6 LYS A 68 -48.16 -139.25
168REMARK 500 6 SER A 69 32.73 -158.72
169REMARK 500 6 PHE B 104 37.89 -96.04
170REMARK 500 7 SER A 34 -65.45 -163.48
171REMARK 500 7 PRO A 39 -168.17 -65.74
172REMARK 500 7 ALA A 67 -70.99 -93.86
173REMARK 500 8 SER A 35 33.40 -153.50
174REMARK 500 8 PRO A 39 -168.83 -75.01
175REMARK 500 8 PHE B 104 32.86 -98.60
176REMARK 500 9 SER A 34 35.96 -99.21
177REMARK 500 9 ALA A 38 94.88 -174.75
178REMARK 500 9 PRO A 66 -167.80 -65.21
179REMARK 500 9 PHE B 104 32.82 -97.27
180REMARK 500 10 THR A 29 -58.08 -126.41
181REMARK 500 10 SER A 35 -64.06 -91.35
182REMARK 500 10 CYS A 52 -169.20 -111.77
183REMARK 500 11 PRO A 2 43.53 -90.25
184REMARK 500 11 THR A 29 -50.37 -179.20
185REMARK 500 11 TYR A 31 -52.64 -148.57
186REMARK 500 11 SER A 34 -70.67 -155.18
187REMARK 500 11 SER A 35 34.69 -170.17
188REMARK 500 11 ALA A 38 83.52 -162.75
189REMARK 500 11 PRO A 39 -168.46 -79.21
190REMARK 500 11 LEU A 64 178.82 -59.97
191REMARK 500 11 ALA A 67 118.93 -170.89
192REMARK 500 11 PHE B 104 35.80 -97.87
193REMARK 500 12 THR A 29 115.17 -160.04
194REMARK 500 12 ALA A 38 96.97 -164.58
195REMARK 500 12 LEU A 64 179.44 -55.94
196REMARK 500 12 PHE B 104 32.77 -98.34
197REMARK 500 13 LYS A 27 -177.23 -67.63
198REMARK 500 13 THR A 29 -75.48 -58.83
199REMARK 500 13 ARG A 36 -70.93 -88.21
200REMARK 500 13 CYS A 52 -160.47 -126.47
201REMARK 500 14 TYR A 31 -73.06 -82.06
202REMARK 500 14 SER A 33 -63.61 -149.30
203REMARK 500 14 PRO A 66 -167.99 -66.97
204REMARK 500 14 ALA A 67 -76.11 -81.52
205REMARK 500 14 SER A 69 33.54 -163.13
206REMARK 500 15 PHE A 25 -71.92 -57.32
207REMARK 500 15 SER A 33 -55.37 -149.95
208REMARK 500 15 ALA A 38 48.93 -159.28
209REMARK 500 15 PHE B 104 32.74 -98.64
210REMARK 500 16 PHE A 25 35.56 -97.37
211REMARK 500 16 ASN A 26 126.12 -176.36
212REMARK 500 16 ARG A 37 -168.84 -66.86
213REMARK 500 16 CYS A 52 -160.86 -123.78
214REMARK 500 16 ALA A 67 -53.41 -161.25
215REMARK 500 16 LYS A 68 -47.64 -147.41
216REMARK 500 16 PHE B 104 36.98 -96.00
217REMARK 500 17 THR A 29 -54.32 -153.40
218REMARK 500 17 SER A 33 -47.17 -149.27
219REMARK 500 17 ARG A 36 89.39 -54.30
220REMARK 500 17 LYS A 68 31.31 -99.09
221REMARK 500 17 SER A 69 32.95 -141.53
222REMARK 500 17 PHE B 104 33.19 -97.68
223REMARK 500 18 PRO A 2 -168.97 -75.61
224REMARK 500 18 ALA A 38 73.78 -115.88
225REMARK 500 18 THR A 41 125.10 -177.60
226REMARK 500 18 CYS A 52 -163.29 -123.32
227REMARK 500 18 LEU A 64 174.40 -59.98
228REMARK 500 18 LYS A 68 94.75 -178.04
229REMARK 500 19 SER A 33 -54.44 -150.03
230REMARK 500 19 CYS A 52 -164.47 -118.65
231REMARK 500 19 ALA A 67 32.12 -165.43
232REMARK 500 19 LYS A 68 -169.63 -101.93
233REMARK 500 20 PRO A 2 -169.08 -73.46
234REMARK 500 20 SER A 35 -64.41 -153.00
235REMARK 500 20 ARG A 36 -60.21 -90.56
236REMARK 500 20 ARG A 37 111.16 -161.65
237REMARK 500 20 THR A 41 107.48 -177.60
238REMARK 500 20 CYS A 52 -163.06 -117.00
239REMARK 500 20 LEU A 64 173.27 -58.31
240REMARK 500 20 PHE B 104 47.90 -92.62
241REMARK 500 20 TYR B 115 71.17 -69.13
242REMARK 500
243REMARK 500 REMARK: NULL
244REMARK 900
245REMARK 900 RELATED ENTRIES
246REMARK 900 RELATED ID: 1LB7 RELATED DB: PDB
247REMARK 900 STRUCTURE OF FREE PEPTIDE IGF-F1-1
248DBREF 1PMX A 1 70 UNP P05019 IGF1B_HUMAN 49 118
249DBREF 1PMX B 101 116 PDB 1PMX 1PMX 101 116
250SEQRES 1 A 70 GLY PRO GLU THR LEU CYS GLY ALA GLU LEU VAL ASP ALA
251SEQRES 2 A 70 LEU GLN PHE VAL CYS GLY ASP ARG GLY PHE TYR PHE ASN
252SEQRES 3 A 70 LYS PRO THR GLY TYR GLY SER SER SER ARG ARG ALA PRO
253SEQRES 4 A 70 GLN THR GLY ILE VAL ASP GLU CYS CYS PHE ARG SER CYS
254SEQRES 5 A 70 ASP LEU ARG ARG LEU GLU MET TYR CYS ALA PRO LEU LYS
255SEQRES 6 A 70 PRO ALA LYS SER ALA
256SEQRES 1 B 16 ARG ASN CYS PHE GLU SER VAL ALA ALA LEU ARG ARG CYS
257SEQRES 2 B 16 MET TYR GLY
258HELIX 1 1 GLY A 7 CYS A 18 1 12
259HELIX 2 2 GLY A 19 GLY A 22 5 4
260HELIX 3 3 ILE A 43 CYS A 48 1 6
261HELIX 4 4 ARG A 55 CYS A 61 1 7
262HELIX 5 5 SER B 106 TYR B 115 1 10
263SSBOND 1 CYS A 6 CYS A 48 1555 1555 2.03
264SSBOND 2 CYS A 18 CYS A 61 1555 1555 2.03
265SSBOND 3 CYS A 47 CYS A 52 1555 1555 2.03
266SSBOND 4 CYS B 103 CYS B 113 1555 1555 2.03
267CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
268ORIGX1 1.000000 0.000000 0.000000 0.00000
269ORIGX2 0.000000 1.000000 0.000000 0.00000
270ORIGX3 0.000000 0.000000 1.000000 0.00000
271SCALE1 1.000000 0.000000 0.000000 0.00000
272SCALE2 0.000000 1.000000 0.000000 0.00000
273SCALE3 0.000000 0.000000 1.000000 0.00000
274ATOM 1 N GLY A 1 4.642 -16.993 -7.871 1.00 0.00 N
275ATOM 2 CA GLY A 1 4.178 -16.440 -9.175 1.00 0.00 C
276ATOM 3 C GLY A 1 4.636 -15.003 -9.394 1.00 0.00 C
277ATOM 4 O GLY A 1 4.635 -14.212 -8.452 1.00 0.00 O
278ATOM 5 H1 GLY A 1 5.680 -16.947 -7.813 1.00 20.00 H
279ATOM 6 H2 GLY A 1 4.343 -17.985 -7.777 1.00 20.00 H
280ATOM 7 H3 GLY A 1 4.236 -16.444 -7.086 1.00 20.00 H
281ATOM 8 HA2 GLY A 1 4.567 -17.054 -9.973 1.00 20.00 H
282ATOM 9 HA3 GLY A 1 3.100 -16.470 -9.203 1.00 20.00 H
283ATOM 10 N PRO A 2 5.038 -14.620 -10.631 1.00 0.00 N
284ATOM 11 CA PRO A 2 5.490 -13.254 -10.912 1.00 0.00 C
285ATOM 12 C PRO A 2 4.341 -12.251 -10.911 1.00 0.00 C
286ATOM 13 O PRO A 2 3.175 -12.627 -11.029 1.00 0.00 O
287ATOM 14 CB PRO A 2 6.105 -13.362 -12.308 1.00 0.00 C
288ATOM 15 CG PRO A 2 5.386 -14.498 -12.948 1.00 0.00 C
289ATOM 16 CD PRO A 2 5.086 -15.473 -11.843 1.00 0.00 C
290ATOM 17 HA PRO A 2 6.245 -12.934 -10.209 1.00 20.00 H
291ATOM 18 HB2 PRO A 2 5.945 -12.439 -12.847 1.00 20.00 H
292ATOM 19 HB3 PRO A 2 7.162 -13.561 -12.227 1.00 20.00 H
293ATOM 20 HG2 PRO A 2 4.469 -14.146 -13.398 1.00 20.00 H
294ATOM 21 HG3 PRO A 2 6.018 -14.958 -13.692 1.00 20.00 H
295ATOM 22 HD2 PRO A 2 4.133 -15.954 -12.013 1.00 20.00 H
296ATOM 23 HD3 PRO A 2 5.872 -16.208 -11.765 1.00 20.00 H
297ATOM 24 N GLU A 3 4.680 -10.972 -10.775 1.00 38.88 N
298ATOM 25 CA GLU A 3 3.678 -9.913 -10.757 1.00 40.66 C
299ATOM 26 C GLU A 3 3.676 -9.142 -12.073 1.00 36.23 C
300ATOM 27 O GLU A 3 4.588 -8.362 -12.348 1.00 38.90 O
301ATOM 28 CB GLU A 3 3.940 -8.957 -9.593 1.00 46.92 C
302ATOM 29 CG GLU A 3 3.752 -9.596 -8.227 1.00 61.66 C
303ATOM 30 CD GLU A 3 5.006 -10.287 -7.729 1.00 70.74 C
304ATOM 31 OE1 GLU A 3 5.939 -9.579 -7.294 1.00 75.50 O
305ATOM 32 OE2 GLU A 3 5.055 -11.533 -7.777 1.00 74.11 O
306ATOM 33 H GLU A 3 5.628 -10.736 -10.684 1.00 20.00 H
307ATOM 34 HA GLU A 3 2.709 -10.373 -10.622 1.00 20.00 H
308ATOM 35 HB2 GLU A 3 4.955 -8.595 -9.661 1.00 20.00 H
309ATOM 36 HB3 GLU A 3 3.261 -8.122 -9.670 1.00 20.00 H
310ATOM 37 HG2 GLU A 3 3.477 -8.828 -7.521 1.00 20.00 H
311ATOM 38 HG3 GLU A 3 2.958 -10.325 -8.292 1.00 20.00 H
312ATOM 39 N THR A 4 2.646 -9.366 -12.884 1.00 31.38 N
313ATOM 40 CA THR A 4 2.524 -8.692 -14.172 1.00 24.88 C
314ATOM 41 C THR A 4 1.147 -8.051 -14.319 1.00 20.71 C
315ATOM 42 O THR A 4 0.258 -8.276 -13.500 1.00 19.97 O
316ATOM 43 CB THR A 4 2.769 -9.678 -15.317 1.00 23.86 C
317ATOM 44 OG1 THR A 4 1.643 -10.516 -15.505 1.00 30.08 O
318ATOM 45 CG2 THR A 4 3.973 -10.568 -15.097 1.00 25.92 C
319ATOM 46 H THR A 4 1.949 -9.998 -12.608 1.00 20.00 H
320ATOM 47 HA THR A 4 3.273 -7.915 -14.212 1.00 20.00 H
321ATOM 48 HB THR A 4 2.932 -9.121 -16.227 1.00 20.00 H
322ATOM 49 HG1 THR A 4 1.812 -11.124 -16.229 1.00 20.00 H
323ATOM 50 HG21 THR A 4 3.965 -11.370 -15.821 1.00 20.00 H
324ATOM 51 HG22 THR A 4 4.876 -9.988 -15.214 1.00 20.00 H
325ATOM 52 HG23 THR A 4 3.938 -10.982 -14.101 1.00 20.00 H
326ATOM 53 N LEU A 5 0.978 -7.248 -15.367 1.00 19.32 N
327ATOM 54 CA LEU A 5 -0.292 -6.573 -15.613 1.00 15.87 C
328ATOM 55 C LEU A 5 -0.745 -6.761 -17.058 1.00 19.16 C
329ATOM 56 O LEU A 5 -0.149 -6.211 -17.984 1.00 20.58 O
330ATOM 57 CB LEU A 5 -0.167 -5.081 -15.299 1.00 22.19 C
331ATOM 58 CG LEU A 5 -1.455 -4.407 -14.824 1.00 28.27 C
332ATOM 59 CD1 LEU A 5 -1.843 -4.914 -13.445 1.00 23.45 C
333ATOM 60 CD2 LEU A 5 -1.289 -2.895 -14.811 1.00 25.44 C
334ATOM 61 H LEU A 5 1.725 -7.104 -15.984 1.00 20.00 H
335ATOM 62 HA LEU A 5 -1.033 -7.008 -14.959 1.00 20.00 H
336ATOM 63 HB2 LEU A 5 0.583 -4.960 -14.530 1.00 20.00 H
337ATOM 64 HB3 LEU A 5 0.170 -4.574 -16.190 1.00 20.00 H
338ATOM 65 HG LEU A 5 -2.254 -4.653 -15.508 1.00 20.00 H
339ATOM 66 HD11 LEU A 5 -1.950 -5.989 -13.472 1.00 20.00 H
340ATOM 67 HD12 LEU A 5 -1.077 -4.647 -12.733 1.00 20.00 H
341ATOM 68 HD13 LEU A 5 -2.780 -4.467 -13.148 1.00 20.00 H
342ATOM 69 HD21 LEU A 5 -0.748 -2.585 -15.693 1.00 20.00 H
343ATOM 70 HD22 LEU A 5 -2.262 -2.427 -14.801 1.00 20.00 H
344ATOM 71 HD23 LEU A 5 -0.739 -2.602 -13.929 1.00 20.00 H
345ATOM 72 N CYS A 6 -1.806 -7.541 -17.244 1.00 19.74 N
346ATOM 73 CA CYS A 6 -2.344 -7.799 -18.577 1.00 21.84 C
347ATOM 74 C CYS A 6 -3.869 -7.804 -18.553 1.00 16.04 C
348ATOM 75 O CYS A 6 -4.484 -7.958 -17.499 1.00 18.05 O
349ATOM 76 CB CYS A 6 -1.828 -9.137 -19.110 1.00 22.37 C
350ATOM 77 SG CYS A 6 -0.024 -9.352 -18.970 1.00 32.91 S
351ATOM 78 H CYS A 6 -2.240 -7.949 -16.466 1.00 20.00 H
352ATOM 79 HA CYS A 6 -2.008 -7.007 -19.228 1.00 20.00 H
353ATOM 80 HB2 CYS A 6 -2.297 -9.940 -18.561 1.00 20.00 H
354ATOM 81 HB3 CYS A 6 -2.089 -9.223 -20.155 1.00 20.00 H
355ATOM 82 N GLY A 7 -4.473 -7.640 -19.725 1.00 19.09 N
356ATOM 83 CA GLY A 7 -5.922 -7.633 -19.820 1.00 17.15 C
357ATOM 84 C GLY A 7 -6.542 -6.397 -19.200 1.00 18.61 C
358ATOM 85 O GLY A 7 -5.993 -5.299 -19.301 1.00 15.50 O
359ATOM 86 H GLY A 7 -3.931 -7.525 -20.534 1.00 20.00 H
360ATOM 87 HA2 GLY A 7 -6.204 -7.679 -20.862 1.00 20.00 H
361ATOM 88 HA3 GLY A 7 -6.307 -8.507 -19.316 1.00 20.00 H
362ATOM 89 N ALA A 8 -7.693 -6.575 -18.559 1.00 13.90 N
363ATOM 90 CA ALA A 8 -8.396 -5.466 -17.921 1.00 15.72 C
364ATOM 91 C ALA A 8 -7.530 -4.804 -16.857 1.00 14.12 C
365ATOM 92 O ALA A 8 -7.641 -3.603 -16.614 1.00 14.45 O
366ATOM 93 CB ALA A 8 -9.702 -5.953 -17.312 1.00 21.73 C
367ATOM 94 H ALA A 8 -8.082 -7.473 -18.516 1.00 20.00 H
368ATOM 95 HA ALA A 8 -8.630 -4.739 -18.684 1.00 20.00 H
369ATOM 96 HB1 ALA A 8 -10.290 -6.449 -18.071 1.00 20.00 H
370ATOM 97 HB2 ALA A 8 -9.490 -6.644 -16.511 1.00 20.00 H
371ATOM 98 HB3 ALA A 8 -10.253 -5.109 -16.924 1.00 20.00 H
372ATOM 99 N GLU A 9 -6.671 -5.594 -16.221 1.00 15.00 N
373ATOM 100 CA GLU A 9 -5.789 -5.080 -15.180 1.00 21.86 C
374ATOM 101 C GLU A 9 -4.874 -3.991 -15.728 1.00 19.13 C
375ATOM 102 O GLU A 9 -4.630 -2.980 -15.069 1.00 15.61 O
376ATOM 103 CB GLU A 9 -4.955 -6.215 -14.586 1.00 23.00 C
377ATOM 104 CG GLU A 9 -5.711 -7.060 -13.574 1.00 33.94 C
378ATOM 105 CD GLU A 9 -4.895 -8.232 -13.066 1.00 53.09 C
379ATOM 106 OE1 GLU A 9 -3.807 -7.997 -12.500 1.00 50.65 O
380ATOM 107 OE2 GLU A 9 -5.346 -9.384 -13.233 1.00 63.42 O
381ATOM 108 H GLU A 9 -6.630 -6.543 -16.457 1.00 20.00 H
382ATOM 109 HA GLU A 9 -6.408 -4.656 -14.403 1.00 20.00 H
383ATOM 110 HB2 GLU A 9 -4.624 -6.861 -15.386 1.00 20.00 H
384ATOM 111 HB3 GLU A 9 -4.090 -5.793 -14.095 1.00 20.00 H
385ATOM 112 HG2 GLU A 9 -5.978 -6.436 -12.734 1.00 20.00 H
386ATOM 113 HG3 GLU A 9 -6.609 -7.438 -14.039 1.00 20.00 H
387ATOM 114 N LEU A 10 -4.372 -4.199 -16.943 1.00 16.50 N
388ATOM 115 CA LEU A 10 -3.489 -3.230 -17.580 1.00 19.32 C
389ATOM 116 C LEU A 10 -4.260 -1.978 -17.985 1.00 20.39 C
390ATOM 117 O LEU A 10 -3.820 -0.857 -17.731 1.00 13.49 O
391ATOM 118 CB LEU A 10 -2.817 -3.850 -18.808 1.00 16.05 C
392ATOM 119 CG LEU A 10 -1.803 -2.950 -19.515 1.00 18.02 C
393ATOM 120 CD1 LEU A 10 -0.752 -2.455 -18.532 1.00 17.22 C
394ATOM 121 CD2 LEU A 10 -1.147 -3.692 -20.670 1.00 17.33 C
395ATOM 122 H LEU A 10 -4.606 -5.022 -17.421 1.00 20.00 H
396ATOM 123 HA LEU A 10 -2.728 -2.955 -16.865 1.00 20.00 H
397ATOM 124 HB2 LEU A 10 -2.313 -4.754 -18.497 1.00 20.00 H
398ATOM 125 HB3 LEU A 10 -3.587 -4.114 -19.518 1.00 20.00 H
399ATOM 126 HG LEU A 10 -2.315 -2.088 -19.918 1.00 20.00 H
400ATOM 127 HD11 LEU A 10 -1.234 -1.915 -17.733 1.00 20.00 H
401ATOM 128 HD12 LEU A 10 -0.215 -3.298 -18.127 1.00 20.00 H
402ATOM 129 HD13 LEU A 10 -0.062 -1.801 -19.045 1.00 20.00 H
403ATOM 130 HD21 LEU A 10 -1.911 -4.099 -21.315 1.00 20.00 H
404ATOM 131 HD22 LEU A 10 -0.529 -3.007 -21.231 1.00 20.00 H
405ATOM 132 HD23 LEU A 10 -0.536 -4.494 -20.283 1.00 20.00 H
406ATOM 133 N VAL A 11 -5.414 -2.178 -18.614 1.00 16.73 N
407ATOM 134 CA VAL A 11 -6.248 -1.066 -19.050 1.00 13.49 C
408ATOM 135 C VAL A 11 -6.841 -0.323 -17.859 1.00 13.78 C
409ATOM 136 O VAL A 11 -7.032 0.893 -17.903 1.00 11.61 O
410ATOM 137 CB VAL A 11 -7.392 -1.544 -19.965 1.00 16.29 C
411ATOM 138 CG1 VAL A 11 -8.125 -0.356 -20.570 1.00 19.22 C
412ATOM 139 CG2 VAL A 11 -6.857 -2.461 -21.054 1.00 17.93 C
413ATOM 140 H VAL A 11 -5.712 -3.096 -18.786 1.00 20.00 H
414ATOM 141 HA VAL A 11 -5.626 -0.384 -19.614 1.00 20.00 H
415ATOM 142 HB VAL A 11 -8.094 -2.103 -19.365 1.00 20.00 H
416ATOM 143 HG11 VAL A 11 -8.491 0.282 -19.779 1.00 20.00 H
417ATOM 144 HG12 VAL A 11 -7.448 0.202 -21.200 1.00 20.00 H
418ATOM 145 HG13 VAL A 11 -8.957 -0.710 -21.161 1.00 20.00 H
419ATOM 146 HG21 VAL A 11 -6.051 -1.968 -21.577 1.00 20.00 H
420ATOM 147 HG22 VAL A 11 -6.492 -3.375 -20.609 1.00 20.00 H
421ATOM 148 HG23 VAL A 11 -7.649 -2.692 -21.752 1.00 20.00 H
422ATOM 149 N ASP A 12 -7.132 -1.063 -16.794 1.00 14.34 N
423ATOM 150 CA ASP A 12 -7.705 -0.475 -15.588 1.00 15.14 C
424ATOM 151 C ASP A 12 -6.728 0.503 -14.943 1.00 11.41 C
425ATOM 152 O ASP A 12 -7.118 1.582 -14.499 1.00 14.02 O
426ATOM 153 CB ASP A 12 -8.082 -1.571 -14.590 1.00 14.66 C
427ATOM 154 CG ASP A 12 -9.412 -2.222 -14.921 1.00 27.52 C
428ATOM 155 OD1 ASP A 12 -10.336 -1.501 -15.351 1.00 29.53 O
429ATOM 156 OD2 ASP A 12 -9.528 -3.455 -14.752 1.00 31.00 O
430ATOM 157 H ASP A 12 -6.958 -2.026 -16.819 1.00 20.00 H
431ATOM 158 HA ASP A 12 -8.596 0.062 -15.874 1.00 20.00 H
432ATOM 159 HB2 ASP A 12 -7.319 -2.335 -14.594 1.00 20.00 H
433ATOM 160 HB3 ASP A 12 -8.151 -1.141 -13.601 1.00 20.00 H
434ATOM 161 N ALA A 13 -5.457 0.117 -14.894 1.00 16.37 N
435ATOM 162 CA ALA A 13 -4.426 0.960 -14.302 1.00 18.28 C
436ATOM 163 C ALA A 13 -4.255 2.254 -15.092 1.00 17.95 C
437ATOM 164 O ALA A 13 -4.244 3.344 -14.521 1.00 15.70 O
438ATOM 165 CB ALA A 13 -3.107 0.208 -14.224 1.00 15.65 C
439ATOM 166 H ALA A 13 -5.207 -0.756 -15.262 1.00 20.00 H
440ATOM 167 HA ALA A 13 -4.734 1.206 -13.295 1.00 20.00 H
441ATOM 168 HB1 ALA A 13 -3.269 -0.759 -13.774 1.00 20.00 H
442ATOM 169 HB2 ALA A 13 -2.706 0.081 -15.219 1.00 20.00 H
443ATOM 170 HB3 ALA A 13 -2.407 0.771 -13.623 1.00 20.00 H
444ATOM 171 N LEU A 14 -4.123 2.125 -16.409 1.00 11.92 N
445ATOM 172 CA LEU A 14 -3.954 3.286 -17.276 1.00 15.01 C
446ATOM 173 C LEU A 14 -5.150 4.225 -17.167 1.00 15.56 C
447ATOM 174 O LEU A 14 -4.995 5.447 -17.148 1.00 18.96 O
448ATOM 175 CB LEU A 14 -3.765 2.841 -18.729 1.00 13.58 C
449ATOM 176 CG LEU A 14 -2.318 2.562 -19.135 1.00 15.59 C
450ATOM 177 CD1 LEU A 14 -2.248 2.098 -20.581 1.00 17.99 C
451ATOM 178 CD2 LEU A 14 -1.461 3.804 -18.928 1.00 22.05 C
452ATOM 179 H LEU A 14 -4.140 1.230 -16.807 1.00 20.00 H
453ATOM 180 HA LEU A 14 -3.068 3.814 -16.954 1.00 20.00 H
454ATOM 181 HB2 LEU A 14 -4.342 1.941 -18.885 1.00 20.00 H
455ATOM 182 HB3 LEU A 14 -4.155 3.615 -19.374 1.00 20.00 H
456ATOM 183 HG LEU A 14 -1.921 1.775 -18.513 1.00 20.00 H
457ATOM 184 HD11 LEU A 14 -3.087 1.453 -20.793 1.00 20.00 H
458ATOM 185 HD12 LEU A 14 -2.279 2.957 -21.236 1.00 20.00 H
459ATOM 186 HD13 LEU A 14 -1.327 1.557 -20.742 1.00 20.00 H
460ATOM 187 HD21 LEU A 14 -1.973 4.665 -19.333 1.00 20.00 H
461ATOM 188 HD22 LEU A 14 -1.288 3.950 -17.872 1.00 20.00 H
462ATOM 189 HD23 LEU A 14 -0.516 3.676 -19.433 1.00 20.00 H
463ATOM 190 N GLN A 15 -6.344 3.647 -17.086 1.00 12.18 N
464ATOM 191 CA GLN A 15 -7.566 4.434 -16.971 1.00 14.03 C
465ATOM 192 C GLN A 15 -7.706 5.010 -15.566 1.00 18.29 C
466ATOM 193 O GLN A 15 -8.257 6.095 -15.380 1.00 18.76 O
467ATOM 194 CB GLN A 15 -8.785 3.573 -17.307 1.00 17.47 C
468ATOM 195 CG GLN A 15 -8.978 3.343 -18.797 1.00 23.70 C
469ATOM 196 CD GLN A 15 -9.830 4.415 -19.446 1.00 32.76 C
470ATOM 197 OE1 GLN A 15 -10.682 5.025 -18.798 1.00 28.85 O
471ATOM 198 NE2 GLN A 15 -9.606 4.650 -20.733 1.00 29.69 N
472ATOM 199 H GLN A 15 -6.404 2.670 -17.102 1.00 20.00 H
473ATOM 200 HA GLN A 15 -7.505 5.248 -17.678 1.00 20.00 H
474ATOM 201 HB2 GLN A 15 -8.675 2.611 -16.828 1.00 20.00 H
475ATOM 202 HB3 GLN A 15 -9.671 4.057 -16.922 1.00 20.00 H
476ATOM 203 HG2 GLN A 15 -8.009 3.337 -19.275 1.00 20.00 H
477ATOM 204 HG3 GLN A 15 -9.455 2.385 -18.943 1.00 20.00 H
478ATOM 205 HE21 GLN A 15 -8.914 4.127 -21.186 1.00 20.00 H
479ATOM 206 HE22 GLN A 15 -10.144 5.339 -21.179 1.00 20.00 H
480ATOM 207 N PHE A 16 -7.200 4.278 -14.578 1.00 18.23 N
481ATOM 208 CA PHE A 16 -7.265 4.716 -13.189 1.00 17.04 C
482ATOM 209 C PHE A 16 -6.205 5.777 -12.904 1.00 15.52 C
483ATOM 210 O PHE A 16 -6.408 6.666 -12.079 1.00 20.37 O
484ATOM 211 CB PHE A 16 -7.077 3.522 -12.249 1.00 18.66 C
485ATOM 212 CG PHE A 16 -7.171 3.879 -10.793 1.00 18.49 C
486ATOM 213 CD1 PHE A 16 -8.273 4.561 -10.303 1.00 23.45 C
487ATOM 214 CD2 PHE A 16 -6.158 3.532 -9.915 1.00 21.34 C
488ATOM 215 CE1 PHE A 16 -8.363 4.891 -8.965 1.00 27.25 C
489ATOM 216 CE2 PHE A 16 -6.242 3.859 -8.575 1.00 21.50 C
490ATOM 217 CZ PHE A 16 -7.346 4.539 -8.099 1.00 24.95 C
491ATOM 218 H PHE A 16 -6.772 3.422 -14.789 1.00 20.00 H
492ATOM 219 HA PHE A 16 -8.242 5.145 -13.021 1.00 20.00 H
493ATOM 220 HB2 PHE A 16 -7.836 2.784 -12.461 1.00 20.00 H
494ATOM 221 HB3 PHE A 16 -6.102 3.087 -12.423 1.00 20.00 H
495ATOM 222 HD1 PHE A 16 -9.070 4.836 -10.980 1.00 20.00 H
496ATOM 223 HD2 PHE A 16 -5.293 3.001 -10.286 1.00 20.00 H
497ATOM 224 HE1 PHE A 16 -9.227 5.423 -8.596 1.00 20.00 H
498ATOM 225 HE2 PHE A 16 -5.444 3.584 -7.901 1.00 20.00 H
499ATOM 226 HZ PHE A 16 -7.414 4.796 -7.053 1.00 20.00 H
500ATOM 227 N VAL A 17 -5.074 5.671 -13.593 1.00 16.12 N
501ATOM 228 CA VAL A 17 -3.979 6.619 -13.416 1.00 17.94 C
502ATOM 229 C VAL A 17 -4.151 7.825 -14.336 1.00 21.98 C
503ATOM 230 O VAL A 17 -4.388 8.942 -13.873 1.00 24.05 O
504ATOM 231 CB VAL A 17 -2.611 5.956 -13.694 1.00 21.28 C
505ATOM 232 CG1 VAL A 17 -1.467 6.912 -13.375 1.00 25.51 C
506ATOM 233 CG2 VAL A 17 -2.467 4.665 -12.898 1.00 22.15 C
507ATOM 234 H VAL A 17 -4.971 4.938 -14.236 1.00 20.00 H
508ATOM 235 HA VAL A 17 -3.993 6.955 -12.389 1.00 20.00 H
509ATOM 236 HB VAL A 17 -2.561 5.711 -14.745 1.00 20.00 H
510ATOM 237 HG11 VAL A 17 -1.526 7.214 -12.340 1.00 20.00 H
511ATOM 238 HG12 VAL A 17 -0.524 6.415 -13.552 1.00 20.00 H
512ATOM 239 HG13 VAL A 17 -1.539 7.783 -14.009 1.00 20.00 H
513ATOM 240 HG21 VAL A 17 -3.441 4.321 -12.586 1.00 20.00 H
514ATOM 241 HG22 VAL A 17 -2.001 3.912 -13.516 1.00 20.00 H
515ATOM 242 HG23 VAL A 17 -1.854 4.845 -12.026 1.00 20.00 H
516ATOM 243 N CYS A 18 -4.025 7.592 -15.637 1.00 17.42 N
517ATOM 244 CA CYS A 18 -4.162 8.658 -16.623 1.00 20.54 C
518ATOM 245 C CYS A 18 -5.612 9.124 -16.724 1.00 26.67 C
519ATOM 246 O CYS A 18 -5.899 10.316 -16.631 1.00 24.96 O
520ATOM 247 CB CYS A 18 -3.668 8.180 -17.991 1.00 16.00 C
521ATOM 248 SG CYS A 18 -2.081 7.283 -17.940 1.00 29.49 S
522ATOM 249 H CYS A 18 -3.833 6.681 -15.943 1.00 20.00 H
523ATOM 250 HA CYS A 18 -3.551 9.488 -16.298 1.00 20.00 H
524ATOM 251 HB2 CYS A 18 -4.404 7.517 -18.418 1.00 20.00 H
525ATOM 252 HB3 CYS A 18 -3.541 9.033 -18.638 1.00 20.00 H
526ATOM 253 N GLY A 19 -6.522 8.175 -16.909 1.00 32.94 N
527ATOM 254 CA GLY A 19 -7.931 8.510 -17.014 1.00 31.76 C
528ATOM 255 C GLY A 19 -8.256 9.313 -18.259 1.00 37.69 C
529ATOM 256 O GLY A 19 -8.155 8.806 -19.376 1.00 40.61 O
530ATOM 257 H GLY A 19 -6.236 7.239 -16.971 1.00 20.00 H
531ATOM 258 HA2 GLY A 19 -8.505 7.596 -17.031 1.00 20.00 H
532ATOM 259 HA3 GLY A 19 -8.217 9.084 -16.145 1.00 20.00 H
533ATOM 260 N ASP A 20 -8.657 10.566 -18.064 1.00 39.20 N
534ATOM 261 CA ASP A 20 -9.010 11.441 -19.179 1.00 47.44 C
535ATOM 262 C ASP A 20 -7.785 12.093 -19.838 1.00 37.42 C
536ATOM 263 O ASP A 20 -7.939 12.957 -20.701 1.00 38.02 O
537ATOM 264 CB ASP A 20 -9.974 12.528 -18.703 1.00 60.22 C
538ATOM 265 CG ASP A 20 -10.795 13.112 -19.837 1.00 73.16 C
539ATOM 266 OD1 ASP A 20 -11.871 12.554 -20.136 1.00 79.05 O
540ATOM 267 OD2 ASP A 20 -10.362 14.125 -20.424 1.00 78.87 O
541ATOM 268 H ASP A 20 -8.723 10.909 -17.149 1.00 20.00 H
542ATOM 269 HA ASP A 20 -9.514 10.837 -19.919 1.00 20.00 H
543ATOM 270 HB2 ASP A 20 -10.650 12.108 -17.974 1.00 20.00 H
544ATOM 271 HB3 ASP A 20 -9.408 13.326 -18.245 1.00 20.00 H
545ATOM 272 N ARG A 21 -6.572 11.691 -19.448 1.00 26.27 N
546ATOM 273 CA ARG A 21 -5.366 12.264 -20.030 1.00 33.90 C
547ATOM 274 C ARG A 21 -5.116 11.702 -21.428 1.00 36.17 C
548ATOM 275 O ARG A 21 -4.558 12.381 -22.289 1.00 37.51 O
549ATOM 276 CB ARG A 21 -4.156 11.986 -19.136 1.00 36.79 C
550ATOM 277 CG ARG A 21 -4.338 12.458 -17.697 1.00 50.60 C
551ATOM 278 CD ARG A 21 -3.417 13.618 -17.346 1.00 46.09 C
552ATOM 279 NE ARG A 21 -2.339 13.206 -16.444 1.00 44.95 N
553ATOM 280 CZ ARG A 21 -1.520 14.052 -15.814 1.00 42.44 C
554ATOM 281 NH1 ARG A 21 -1.641 15.366 -15.975 1.00 49.97 N
555ATOM 282 NH2 ARG A 21 -0.574 13.577 -15.017 1.00 34.61 N
556ATOM 283 H ARG A 21 -6.483 11.000 -18.762 1.00 20.00 H
557ATOM 284 HA ARG A 21 -5.509 13.331 -20.106 1.00 20.00 H
558ATOM 285 HB2 ARG A 21 -3.976 10.922 -19.121 1.00 20.00 H
559ATOM 286 HB3 ARG A 21 -3.292 12.482 -19.555 1.00 20.00 H
560ATOM 287 HG2 ARG A 21 -5.361 12.774 -17.559 1.00 20.00 H
561ATOM 288 HG3 ARG A 21 -4.126 11.632 -17.032 1.00 20.00 H
562ATOM 289 HD2 ARG A 21 -2.983 14.007 -18.256 1.00 20.00 H
563ATOM 290 HD3 ARG A 21 -4.000 14.391 -16.866 1.00 20.00 H
564ATOM 291 HE ARG A 21 -2.218 12.244 -16.299 1.00 20.00 H
565ATOM 292 HH11 ARG A 21 -2.350 15.737 -16.573 1.00 20.00 H
566ATOM 293 HH12 ARG A 21 -1.018 15.986 -15.496 1.00 20.00 H
567ATOM 294 HH21 ARG A 21 -0.476 12.589 -14.888 1.00 20.00 H
568ATOM 295 HH22 ARG A 21 0.043 14.206 -14.542 1.00 20.00 H
569ATOM 296 N GLY A 22 -5.529 10.457 -21.642 1.00 35.48 N
570ATOM 297 CA GLY A 22 -5.334 9.824 -22.935 1.00 28.95 C
571ATOM 298 C GLY A 22 -4.015 9.085 -23.017 1.00 24.58 C
572ATOM 299 O GLY A 22 -3.064 9.565 -23.636 1.00 22.09 O
573ATOM 300 H GLY A 22 -5.963 9.962 -20.918 1.00 20.00 H
574ATOM 301 HA2 GLY A 22 -6.140 9.125 -23.105 1.00 20.00 H
575ATOM 302 HA3 GLY A 22 -5.359 10.583 -23.702 1.00 20.00 H
576ATOM 303 N PHE A 23 -3.955 7.918 -22.386 1.00 15.51 N
577ATOM 304 CA PHE A 23 -2.740 7.112 -22.379 1.00 15.18 C
578ATOM 305 C PHE A 23 -2.457 6.523 -23.757 1.00 20.77 C
579ATOM 306 O PHE A 23 -3.375 6.258 -24.534 1.00 24.08 O
580ATOM 307 CB PHE A 23 -2.853 5.987 -21.349 1.00 20.92 C
581ATOM 308 CG PHE A 23 -4.107 5.170 -21.481 1.00 20.47 C
582ATOM 309 CD1 PHE A 23 -4.174 4.117 -22.378 1.00 24.30 C
583ATOM 310 CD2 PHE A 23 -5.219 5.455 -20.705 1.00 20.21 C
584ATOM 311 CE1 PHE A 23 -5.325 3.363 -22.500 1.00 25.52 C
585ATOM 312 CE2 PHE A 23 -6.373 4.705 -20.820 1.00 20.52 C
586ATOM 313 CZ PHE A 23 -6.426 3.657 -21.719 1.00 22.56 C
587ATOM 314 H PHE A 23 -4.745 7.594 -21.905 1.00 20.00 H
588ATOM 315 HA PHE A 23 -1.919 7.755 -22.104 1.00 20.00 H
589ATOM 316 HB2 PHE A 23 -2.010 5.320 -21.462 1.00 20.00 H
590ATOM 317 HB3 PHE A 23 -2.837 6.415 -20.359 1.00 20.00 H
591ATOM 318 HD1 PHE A 23 -3.313 3.886 -22.989 1.00 20.00 H
592ATOM 319 HD2 PHE A 23 -5.178 6.274 -20.002 1.00 20.00 H
593ATOM 320 HE1 PHE A 23 -5.364 2.544 -23.202 1.00 20.00 H
594ATOM 321 HE2 PHE A 23 -7.231 4.936 -20.208 1.00 20.00 H
595ATOM 322 HZ PHE A 23 -7.328 3.069 -21.811 1.00 20.00 H
596ATOM 323 N TYR A 24 -1.178 6.318 -24.048 1.00 20.54 N
597ATOM 324 CA TYR A 24 -0.756 5.754 -25.329 1.00 25.88 C
598ATOM 325 C TYR A 24 0.107 4.515 -25.108 1.00 24.71 C
599ATOM 326 O TYR A 24 0.948 4.484 -24.210 1.00 31.49 O
600ATOM 327 CB TYR A 24 0.015 6.790 -26.161 1.00 33.47 C
601ATOM 328 CG TYR A 24 0.953 7.667 -25.356 1.00 31.26 C
602ATOM 329 CD1 TYR A 24 2.130 7.158 -24.823 1.00 41.08 C
603ATOM 330 CD2 TYR A 24 0.657 9.006 -25.132 1.00 43.74 C
604ATOM 331 CE1 TYR A 24 2.985 7.959 -24.090 1.00 39.08 C
605ATOM 332 CE2 TYR A 24 1.508 9.812 -24.400 1.00 47.84 C
606ATOM 333 CZ TYR A 24 2.670 9.284 -23.881 1.00 44.15 C
607ATOM 334 OH TYR A 24 3.519 10.084 -23.152 1.00 56.07 O
608ATOM 335 H TYR A 24 -0.495 6.548 -23.382 1.00 20.00 H
609ATOM 336 HA TYR A 24 -1.645 5.463 -25.868 1.00 20.00 H
610ATOM 337 HB2 TYR A 24 0.605 6.274 -26.902 1.00 20.00 H
611ATOM 338 HB3 TYR A 24 -0.694 7.434 -26.659 1.00 20.00 H
612ATOM 339 HD1 TYR A 24 2.378 6.118 -24.988 1.00 20.00 H
613ATOM 340 HD2 TYR A 24 -0.254 9.417 -25.541 1.00 20.00 H
614ATOM 341 HE1 TYR A 24 3.893 7.544 -23.683 1.00 20.00 H
615ATOM 342 HE2 TYR A 24 1.259 10.851 -24.237 1.00 20.00 H
616ATOM 343 HH TYR A 24 3.011 10.603 -22.525 1.00 20.00 H
617ATOM 344 N PHE A 25 -0.116 3.493 -25.925 1.00 21.41 N
618ATOM 345 CA PHE A 25 0.633 2.248 -25.814 1.00 18.28 C
619ATOM 346 C PHE A 25 2.025 2.383 -26.424 1.00 20.94 C
620ATOM 347 O PHE A 25 3.009 1.908 -25.858 1.00 21.90 O
621ATOM 348 CB PHE A 25 -0.126 1.111 -26.499 1.00 22.56 C
622ATOM 349 CG PHE A 25 -1.122 0.431 -25.602 1.00 22.04 C
623ATOM 350 CD1 PHE A 25 -2.310 1.058 -25.261 1.00 22.70 C
624ATOM 351 CD2 PHE A 25 -0.869 -0.834 -25.098 1.00 29.30 C
625ATOM 352 CE1 PHE A 25 -3.225 0.435 -24.436 1.00 25.64 C
626ATOM 353 CE2 PHE A 25 -1.781 -1.463 -24.273 1.00 28.31 C
627ATOM 354 CZ PHE A 25 -2.962 -0.827 -23.941 1.00 27.30 C
628ATOM 355 H PHE A 25 -0.805 3.576 -26.618 1.00 20.00 H
629ATOM 356 HA PHE A 25 0.735 2.018 -24.765 1.00 20.00 H
630ATOM 357 HB2 PHE A 25 -0.661 1.505 -27.349 1.00 20.00 H
631ATOM 358 HB3 PHE A 25 0.580 0.366 -26.835 1.00 20.00 H
632ATOM 359 HD1 PHE A 25 -2.518 2.044 -25.648 1.00 20.00 H
633ATOM 360 HD2 PHE A 25 0.054 -1.331 -25.357 1.00 20.00 H
634ATOM 361 HE1 PHE A 25 -4.149 0.935 -24.177 1.00 20.00 H
635ATOM 362 HE2 PHE A 25 -1.571 -2.449 -23.888 1.00 20.00 H
636ATOM 363 HZ PHE A 25 -3.676 -1.316 -23.296 1.00 20.00 H
637ATOM 364 N ASN A 26 2.101 3.026 -27.583 1.00 25.83 N
638ATOM 365 CA ASN A 26 3.376 3.213 -28.266 1.00 27.61 C
639ATOM 366 C ASN A 26 3.939 4.608 -28.014 1.00 23.53 C
640ATOM 367 O ASN A 26 3.311 5.614 -28.344 1.00 23.60 O
641ATOM 368 CB ASN A 26 3.212 2.981 -29.769 1.00 28.31 C
642ATOM 369 CG ASN A 26 4.537 2.715 -30.458 1.00 29.50 C
643ATOM 370 OD1 ASN A 26 5.039 3.551 -31.210 1.00 38.35 O
644ATOM 371 ND2 ASN A 26 5.109 1.544 -30.206 1.00 32.35 N
645ATOM 372 H ASN A 26 1.283 3.381 -27.990 1.00 20.00 H
646ATOM 373 HA ASN A 26 4.068 2.484 -27.874 1.00 20.00 H
647ATOM 374 HB2 ASN A 26 2.568 2.130 -29.929 1.00 20.00 H
648ATOM 375 HB3 ASN A 26 2.765 3.857 -30.216 1.00 20.00 H
649ATOM 376 HD21 ASN A 26 4.652 0.927 -29.596 1.00 20.00 H
650ATOM 377 HD22 ASN A 26 5.967 1.344 -30.637 1.00 20.00 H
651ATOM 378 N LYS A 27 5.134 4.658 -27.433 1.00 26.93 N
652ATOM 379 CA LYS A 27 5.796 5.924 -27.141 1.00 33.05 C
653ATOM 380 C LYS A 27 7.320 5.763 -27.177 1.00 31.68 C
654ATOM 381 O LYS A 27 7.832 4.683 -26.883 1.00 31.77 O
655ATOM 382 CB LYS A 27 5.357 6.474 -25.777 1.00 34.53 C
656ATOM 383 CG LYS A 27 5.290 5.434 -24.665 1.00 37.05 C
657ATOM 384 CD LYS A 27 6.548 5.439 -23.812 1.00 39.60 C
658ATOM 385 CE LYS A 27 6.478 6.486 -22.710 1.00 42.35 C
659ATOM 386 NZ LYS A 27 7.782 7.184 -22.521 1.00 39.82 N
660ATOM 387 H LYS A 27 5.586 3.820 -27.200 1.00 20.00 H
661ATOM 388 HA LYS A 27 5.508 6.627 -27.908 1.00 20.00 H
662ATOM 389 HB2 LYS A 27 6.055 7.240 -25.474 1.00 20.00 H
663ATOM 390 HB3 LYS A 27 4.379 6.917 -25.884 1.00 20.00 H
664ATOM 391 HG2 LYS A 27 4.442 5.652 -24.035 1.00 20.00 H
665ATOM 392 HG3 LYS A 27 5.168 4.454 -25.102 1.00 20.00 H
666ATOM 393 HD2 LYS A 27 6.665 4.467 -23.360 1.00 20.00 H
667ATOM 394 HD3 LYS A 27 7.397 5.650 -24.444 1.00 20.00 H
668ATOM 395 HE2 LYS A 27 5.728 7.217 -22.970 1.00 20.00 H
669ATOM 396 HE3 LYS A 27 6.202 6.002 -21.786 1.00 20.00 H
670ATOM 397 HZ1 LYS A 27 8.187 7.440 -23.445 1.00 20.00 H
671ATOM 398 HZ2 LYS A 27 7.647 8.050 -21.963 1.00 20.00 H
672ATOM 399 HZ3 LYS A 27 8.450 6.563 -22.022 1.00 20.00 H
673ATOM 400 N PRO A 28 8.078 6.826 -27.541 1.00 35.47 N
674ATOM 401 CA PRO A 28 9.544 6.750 -27.606 1.00 36.66 C
675ATOM 402 C PRO A 28 10.172 6.478 -26.244 1.00 36.18 C
676ATOM 403 O PRO A 28 9.546 6.684 -25.205 1.00 36.79 O
677ATOM 404 CB PRO A 28 9.962 8.134 -28.120 1.00 40.26 C
678ATOM 405 CG PRO A 28 8.814 9.027 -27.802 1.00 40.80 C
679ATOM 406 CD PRO A 28 7.587 8.172 -27.920 1.00 34.96 C
680ATOM 407 HA PRO A 28 9.866 5.993 -28.305 1.00 20.00 H
681ATOM 408 HB2 PRO A 28 10.862 8.450 -27.614 1.00 20.00 H
682ATOM 409 HB3 PRO A 28 10.139 8.085 -29.184 1.00 20.00 H
683ATOM 410 HG2 PRO A 28 8.912 9.407 -26.796 1.00 20.00 H
684ATOM 411 HG3 PRO A 28 8.773 9.840 -28.511 1.00 20.00 H
685ATOM 412 HD2 PRO A 28 6.824 8.510 -27.235 1.00 20.00 H
686ATOM 413 HD3 PRO A 28 7.218 8.174 -28.934 1.00 20.00 H
687ATOM 414 N THR A 29 11.417 6.009 -26.260 1.00 34.63 N
688ATOM 415 CA THR A 29 12.136 5.705 -25.030 1.00 41.92 C
689ATOM 416 C THR A 29 13.639 5.876 -25.226 1.00 35.36 C
690ATOM 417 O THR A 29 14.315 6.497 -24.405 1.00 34.58 O
691ATOM 418 CB THR A 29 11.830 4.276 -24.576 1.00 51.94 C
692ATOM 419 OG1 THR A 29 12.167 3.345 -25.589 1.00 52.79 O
693ATOM 420 CG2 THR A 29 10.374 4.060 -24.219 1.00 55.75 C
694ATOM 421 H THR A 29 11.861 5.865 -27.121 1.00 20.00 H
695ATOM 422 HA THR A 29 11.803 6.395 -24.270 1.00 20.00 H
696ATOM 423 HB THR A 29 12.422 4.053 -23.699 1.00 20.00 H
697ATOM 424 HG1 THR A 29 11.717 3.581 -26.404 1.00 20.00 H
698ATOM 425 HG21 THR A 29 10.231 3.039 -23.896 1.00 20.00 H
699ATOM 426 HG22 THR A 29 10.096 4.733 -23.422 1.00 20.00 H
700ATOM 427 HG23 THR A 29 9.759 4.254 -25.086 1.00 20.00 H
701ATOM 428 N GLY A 30 14.155 5.320 -26.317 1.00 33.36 N
702ATOM 429 CA GLY A 30 15.575 5.421 -26.604 1.00 33.97 C
703ATOM 430 C GLY A 30 15.867 6.333 -27.781 1.00 31.86 C
704ATOM 431 O GLY A 30 16.206 7.501 -27.598 1.00 34.94 O
705ATOM 432 H GLY A 30 13.566 4.837 -26.934 1.00 20.00 H
706ATOM 433 HA2 GLY A 30 16.083 5.803 -25.732 1.00 20.00 H
707ATOM 434 HA3 GLY A 30 15.956 4.435 -26.826 1.00 20.00 H
708ATOM 435 N TYR A 31 15.733 5.798 -28.989 1.00 23.05 N
709ATOM 436 CA TYR A 31 15.986 6.571 -30.200 1.00 25.72 C
710ATOM 437 C TYR A 31 15.310 5.927 -31.407 1.00 29.45 C
711ATOM 438 O TYR A 31 15.519 4.749 -31.692 1.00 30.08 O
712ATOM 439 CB TYR A 31 17.490 6.692 -30.449 1.00 21.15 C
713ATOM 440 CG TYR A 31 18.164 7.737 -29.589 1.00 24.03 C
714ATOM 441 CD1 TYR A 31 18.029 9.091 -29.874 1.00 17.01 C
715ATOM 442 CD2 TYR A 31 18.935 7.371 -28.494 1.00 29.13 C
716ATOM 443 CE1 TYR A 31 18.644 10.049 -29.089 1.00 26.09 C
717ATOM 444 CE2 TYR A 31 19.552 8.323 -27.705 1.00 25.81 C
718ATOM 445 CZ TYR A 31 19.404 9.660 -28.008 1.00 25.77 C
719ATOM 446 OH TYR A 31 20.018 10.612 -27.225 1.00 34.26 O
720ATOM 447 H TYR A 31 15.460 4.860 -29.070 1.00 20.00 H
721ATOM 448 HA TYR A 31 15.572 7.557 -30.056 1.00 20.00 H
722ATOM 449 HB2 TYR A 31 17.960 5.742 -30.245 1.00 20.00 H
723ATOM 450 HB3 TYR A 31 17.657 6.955 -31.484 1.00 20.00 H
724ATOM 451 HD1 TYR A 31 17.433 9.392 -30.722 1.00 20.00 H
725ATOM 452 HD2 TYR A 31 19.050 6.323 -28.259 1.00 20.00 H
726ATOM 453 HE1 TYR A 31 18.527 11.096 -29.327 1.00 20.00 H
727ATOM 454 HE2 TYR A 31 20.148 8.019 -26.857 1.00 20.00 H
728ATOM 455 HH TYR A 31 20.610 11.138 -27.767 1.00 20.00 H
729ATOM 456 N GLY A 32 14.497 6.711 -32.113 1.00 29.62 N
730ATOM 457 CA GLY A 32 13.800 6.202 -33.284 1.00 33.28 C
731ATOM 458 C GLY A 32 14.170 6.950 -34.549 1.00 36.13 C
732ATOM 459 O GLY A 32 13.297 7.399 -35.290 1.00 32.23 O
733ATOM 460 H GLY A 32 14.370 7.642 -31.837 1.00 20.00 H
734ATOM 461 HA2 GLY A 32 14.042 5.156 -33.413 1.00 20.00 H
735ATOM 462 HA3 GLY A 32 12.737 6.296 -33.122 1.00 20.00 H
736ATOM 463 N SER A 33 15.470 7.082 -34.797 1.00 41.08 N
737ATOM 464 CA SER A 33 15.954 7.780 -35.982 1.00 47.10 C
738ATOM 465 C SER A 33 17.292 7.209 -36.440 1.00 57.93 C
739ATOM 466 O SER A 33 17.479 6.907 -37.619 1.00 57.01 O
740ATOM 467 CB SER A 33 16.094 9.276 -35.698 1.00 46.73 C
741ATOM 468 OG SER A 33 16.454 9.987 -36.870 1.00 52.64 O
742ATOM 469 H SER A 33 16.117 6.701 -34.169 1.00 20.00 H
743ATOM 470 HA SER A 33 15.228 7.640 -36.769 1.00 20.00 H
744ATOM 471 HB2 SER A 33 15.155 9.661 -35.332 1.00 20.00 H
745ATOM 472 HB3 SER A 33 16.861 9.427 -34.952 1.00 20.00 H
746ATOM 473 HG SER A 33 15.661 10.212 -37.363 1.00 20.00 H
747ATOM 474 N SER A 34 18.220 7.063 -35.501 1.00 65.04 N
748ATOM 475 CA SER A 34 19.541 6.528 -35.809 1.00 70.41 C
749ATOM 476 C SER A 34 19.496 5.008 -35.936 1.00 0.00 C
750ATOM 477 O SER A 34 20.157 4.426 -36.796 1.00 0.00 O
751ATOM 478 CB SER A 34 20.542 6.930 -34.724 1.00 72.65 C
752ATOM 479 OG SER A 34 21.865 6.591 -35.101 1.00 72.85 O
753ATOM 480 H SER A 34 18.011 7.321 -34.580 1.00 20.00 H
754ATOM 481 HA SER A 34 19.857 6.946 -36.752 1.00 20.00 H
755ATOM 482 HB2 SER A 34 20.488 7.996 -34.566 1.00 20.00 H
756ATOM 483 HB3 SER A 34 20.299 6.417 -33.806 1.00 20.00 H
757ATOM 484 HG SER A 34 22.486 7.160 -34.637 1.00 20.00 H
758ATOM 485 N SER A 35 18.711 4.370 -35.073 1.00 0.00 N
759ATOM 486 CA SER A 35 18.579 2.919 -35.087 1.00 0.00 C
760ATOM 487 C SER A 35 17.476 2.483 -36.048 1.00 0.00 C
761ATOM 488 O SER A 35 16.330 2.916 -35.930 1.00 0.00 O
762ATOM 489 CB SER A 35 18.281 2.398 -33.681 1.00 0.00 C
763ATOM 490 OG SER A 35 19.279 2.808 -32.763 1.00 0.00 O
764ATOM 491 H SER A 35 18.208 4.890 -34.410 1.00 20.00 H
765ATOM 492 HA SER A 35 19.518 2.505 -35.424 1.00 20.00 H
766ATOM 493 HB2 SER A 35 17.328 2.783 -33.351 1.00 20.00 H
767ATOM 494 HB3 SER A 35 18.247 1.320 -33.698 1.00 20.00 H
768ATOM 495 HG SER A 35 19.060 2.484 -31.886 1.00 20.00 H
769ATOM 496 N ARG A 36 17.829 1.622 -36.996 1.00 0.00 N
770ATOM 497 CA ARG A 36 16.870 1.127 -37.975 1.00 0.00 C
771ATOM 498 C ARG A 36 16.149 -0.110 -37.451 1.00 0.00 C
772ATOM 499 O ARG A 36 14.922 -0.127 -37.342 1.00 0.00 O
773ATOM 500 CB ARG A 36 17.576 0.798 -39.292 1.00 0.00 C
774ATOM 501 CG ARG A 36 16.643 0.776 -40.492 1.00 0.00 C
775ATOM 502 CD ARG A 36 17.413 0.824 -41.803 1.00 0.00 C
776ATOM 503 NE ARG A 36 17.544 -0.500 -42.412 1.00 0.00 N
777ATOM 504 CZ ARG A 36 18.479 -1.394 -42.083 1.00 0.00 C
778ATOM 505 NH1 ARG A 36 19.386 -1.121 -41.151 1.00 0.00 N
779ATOM 506 NH2 ARG A 36 18.507 -2.570 -42.693 1.00 0.00 N
780ATOM 507 H ARG A 36 18.759 1.312 -37.039 1.00 20.00 H
781ATOM 508 HA ARG A 36 16.144 1.906 -38.152 1.00 20.00 H
782ATOM 509 HB2 ARG A 36 18.343 1.536 -39.471 1.00 20.00 H
783ATOM 510 HB3 ARG A 36 18.037 -0.175 -39.205 1.00 20.00 H
784ATOM 511 HG2 ARG A 36 16.058 -0.131 -40.464 1.00 20.00 H
785ATOM 512 HG3 ARG A 36 15.986 1.631 -40.439 1.00 20.00 H
786ATOM 513 HD2 ARG A 36 16.888 1.473 -42.489 1.00 20.00 H
787ATOM 514 HD3 ARG A 36 18.398 1.225 -41.616 1.00 20.00 H
788ATOM 515 HE ARG A 36 16.895 -0.739 -43.107 1.00 20.00 H
789ATOM 516 HH11 ARG A 36 19.377 -0.238 -40.684 1.00 20.00 H
790ATOM 517 HH12 ARG A 36 20.080 -1.802 -40.916 1.00 20.00 H
791ATOM 518 HH21 ARG A 36 17.830 -2.786 -43.396 1.00 20.00 H
792ATOM 519 HH22 ARG A 36 19.207 -3.243 -42.449 1.00 20.00 H
793ATOM 520 N ARG A 37 16.918 -1.143 -37.128 1.00 0.00 N
794ATOM 521 CA ARG A 37 16.354 -2.387 -36.616 1.00 0.00 C
795ATOM 522 C ARG A 37 15.844 -2.207 -35.189 1.00 0.00 C
796ATOM 523 O ARG A 37 16.629 -2.015 -34.259 1.00 0.00 O
797ATOM 524 CB ARG A 37 17.402 -3.501 -36.658 1.00 0.00 C
798ATOM 525 CG ARG A 37 16.807 -4.900 -36.553 1.00 0.00 C
799ATOM 526 CD ARG A 37 16.791 -5.612 -37.898 1.00 0.00 C
800ATOM 527 NE ARG A 37 16.117 -4.822 -38.930 1.00 0.00 N
801ATOM 528 CZ ARG A 37 15.616 -5.329 -40.058 1.00 0.00 C
802ATOM 529 NH1 ARG A 37 15.703 -6.631 -40.320 1.00 0.00 N
803ATOM 530 NH2 ARG A 37 15.023 -4.529 -40.932 1.00 0.00 N
804ATOM 531 H ARG A 37 17.889 -1.069 -37.238 1.00 20.00 H
805ATOM 532 HA ARG A 37 15.525 -2.660 -37.249 1.00 20.00 H
806ATOM 533 HB2 ARG A 37 17.952 -3.429 -37.585 1.00 20.00 H
807ATOM 534 HB3 ARG A 37 18.087 -3.363 -35.834 1.00 20.00 H
808ATOM 535 HG2 ARG A 37 17.399 -5.479 -35.860 1.00 20.00 H
809ATOM 536 HG3 ARG A 37 15.794 -4.822 -36.185 1.00 20.00 H
810ATOM 537 HD2 ARG A 37 17.810 -5.795 -38.208 1.00 20.00 H
811ATOM 538 HD3 ARG A 37 16.276 -6.555 -37.785 1.00 20.00 H
812ATOM 539 HE ARG A 37 16.033 -3.858 -38.773 1.00 20.00 H
813ATOM 540 HH11 ARG A 37 16.149 -7.245 -39.670 1.00 20.00 H
814ATOM 541 HH12 ARG A 37 15.323 -6.996 -41.170 1.00 20.00 H
815ATOM 542 HH21 ARG A 37 14.952 -3.549 -40.745 1.00 20.00 H
816ATOM 543 HH22 ARG A 37 14.646 -4.903 -41.780 1.00 20.00 H
817ATOM 544 N ALA A 38 14.529 -2.273 -35.022 1.00 0.00 N
818ATOM 545 CA ALA A 38 13.916 -2.119 -33.708 1.00 0.00 C
819ATOM 546 C ALA A 38 12.534 -2.781 -33.665 1.00 0.00 C
820ATOM 547 O ALA A 38 11.733 -2.597 -34.581 1.00 0.00 O
821ATOM 548 CB ALA A 38 13.808 -0.644 -33.349 1.00 0.00 C
822ATOM 549 H ALA A 38 13.955 -2.429 -35.802 1.00 20.00 H
823ATOM 550 HA ALA A 38 14.564 -2.594 -32.987 1.00 20.00 H
824ATOM 551 HB1 ALA A 38 13.249 -0.128 -34.115 1.00 20.00 H
825ATOM 552 HB2 ALA A 38 13.301 -0.541 -32.401 1.00 20.00 H
826ATOM 553 HB3 ALA A 38 14.798 -0.217 -33.277 1.00 20.00 H
827ATOM 554 N PRO A 39 12.220 -3.568 -32.605 1.00 0.00 N
828ATOM 555 CA PRO A 39 10.922 -4.236 -32.492 1.00 0.00 C
829ATOM 556 C PRO A 39 9.842 -3.318 -31.931 1.00 0.00 C
830ATOM 557 O PRO A 39 10.127 -2.211 -31.477 1.00 0.00 O
831ATOM 558 CB PRO A 39 11.214 -5.373 -31.518 1.00 0.00 C
832ATOM 559 CG PRO A 39 12.261 -4.825 -30.612 1.00 0.00 C
833ATOM 560 CD PRO A 39 13.088 -3.874 -31.442 1.00 0.00 C
834ATOM 561 HA PRO A 39 10.599 -4.639 -33.438 1.00 20.00 H
835ATOM 562 HB2 PRO A 39 10.313 -5.628 -30.978 1.00 20.00 H
836ATOM 563 HB3 PRO A 39 11.572 -6.235 -32.060 1.00 20.00 H
837ATOM 564 HG2 PRO A 39 11.797 -4.298 -29.792 1.00 20.00 H
838ATOM 565 HG3 PRO A 39 12.878 -5.629 -30.239 1.00 20.00 H
839ATOM 566 HD2 PRO A 39 13.306 -2.978 -30.880 1.00 20.00 H
840ATOM 567 HD3 PRO A 39 14.002 -4.352 -31.760 1.00 20.00 H
841ATOM 568 N GLN A 40 8.599 -3.790 -31.961 1.00 0.00 N
842ATOM 569 CA GLN A 40 7.474 -3.015 -31.451 1.00 0.00 C
843ATOM 570 C GLN A 40 7.161 -3.404 -30.010 1.00 0.00 C
844ATOM 571 O GLN A 40 6.843 -4.559 -29.725 1.00 0.00 O
845ATOM 572 CB GLN A 40 6.241 -3.227 -32.330 1.00 0.00 C
846ATOM 573 CG GLN A 40 5.032 -2.421 -31.885 1.00 0.00 C
847ATOM 574 CD GLN A 40 3.725 -3.151 -32.121 1.00 0.00 C
848ATOM 575 OE1 GLN A 40 3.447 -4.172 -31.491 1.00 0.00 O
849ATOM 576 NE2 GLN A 40 2.912 -2.630 -33.032 1.00 0.00 N
850ATOM 577 H GLN A 40 8.435 -4.682 -32.332 1.00 20.00 H
851ATOM 578 HA GLN A 40 7.751 -1.971 -31.477 1.00 20.00 H
852ATOM 579 HB2 GLN A 40 6.482 -2.945 -33.343 1.00 20.00 H
853ATOM 580 HB3 GLN A 40 5.975 -4.274 -32.309 1.00 20.00 H
854ATOM 581 HG2 GLN A 40 5.122 -2.211 -30.829 1.00 20.00 H
855ATOM 582 HG3 GLN A 40 5.012 -1.492 -32.435 1.00 20.00 H
856ATOM 583 HE21 GLN A 40 3.198 -1.815 -33.496 1.00 20.00 H
857ATOM 584 HE22 GLN A 40 2.060 -3.082 -33.206 1.00 20.00 H
858ATOM 585 N THR A 41 7.256 -2.436 -29.105 1.00 58.60 N
859ATOM 586 CA THR A 41 6.986 -2.685 -27.693 1.00 57.60 C
860ATOM 587 C THR A 41 6.735 -1.377 -26.945 1.00 51.54 C
861ATOM 588 O THR A 41 7.376 -0.362 -27.217 1.00 55.44 O
862ATOM 589 CB THR A 41 8.156 -3.440 -27.055 1.00 59.11 C
863ATOM 590 OG1 THR A 41 8.047 -3.437 -25.641 1.00 64.04 O
864ATOM 591 CG2 THR A 41 9.509 -2.864 -27.416 1.00 59.18 C
865ATOM 592 H THR A 41 7.517 -1.536 -29.391 1.00 20.00 H
866ATOM 593 HA THR A 41 6.098 -3.296 -27.629 1.00 20.00 H
867ATOM 594 HB THR A 41 8.132 -4.465 -27.393 1.00 20.00 H
868ATOM 595 HG1 THR A 41 8.211 -2.552 -25.307 1.00 20.00 H
869ATOM 596 HG21 THR A 41 9.707 -1.996 -26.806 1.00 20.00 H
870ATOM 597 HG22 THR A 41 10.274 -3.608 -27.243 1.00 20.00 H
871ATOM 598 HG23 THR A 41 9.513 -2.581 -28.459 1.00 20.00 H
872ATOM 599 N GLY A 42 5.801 -1.414 -26.000 1.00 35.08 N
873ATOM 600 CA GLY A 42 5.482 -0.229 -25.224 1.00 21.75 C
874ATOM 601 C GLY A 42 5.142 -0.557 -23.783 1.00 18.36 C
875ATOM 602 O GLY A 42 6.025 -0.609 -22.927 1.00 21.32 O
876ATOM 603 H GLY A 42 5.327 -2.253 -25.827 1.00 20.00 H
877ATOM 604 HA2 GLY A 42 6.330 0.438 -25.240 1.00 20.00 H
878ATOM 605 HA3 GLY A 42 4.637 0.268 -25.678 1.00 20.00 H
879ATOM 606 N ILE A 43 3.860 -0.782 -23.514 1.00 21.07 N
880ATOM 607 CA ILE A 43 3.405 -1.110 -22.168 1.00 22.17 C
881ATOM 608 C ILE A 43 3.114 -2.606 -22.042 1.00 25.61 C
882ATOM 609 O ILE A 43 3.273 -3.190 -20.970 1.00 18.04 O
883ATOM 610 CB ILE A 43 2.144 -0.295 -21.788 1.00 18.01 C
884ATOM 611 CG1 ILE A 43 1.726 -0.572 -20.338 1.00 20.02 C
885ATOM 612 CG2 ILE A 43 0.999 -0.603 -22.743 1.00 20.05 C
886ATOM 613 CD1 ILE A 43 2.527 0.201 -19.313 1.00 22.13 C
887ATOM 614 H ILE A 43 3.203 -0.728 -24.241 1.00 20.00 H
888ATOM 615 HA ILE A 43 4.195 -0.850 -21.480 1.00 20.00 H
889ATOM 616 HB ILE A 43 2.383 0.753 -21.888 1.00 20.00 H
890ATOM 617 HG12 ILE A 43 0.686 -0.304 -20.214 1.00 20.00 H
891ATOM 618 HG13 ILE A 43 1.844 -1.625 -20.129 1.00 20.00 H
892ATOM 619 HG21 ILE A 43 0.812 -1.667 -22.749 1.00 20.00 H
893ATOM 620 HG22 ILE A 43 0.109 -0.083 -22.419 1.00 20.00 H
894ATOM 621 HG23 ILE A 43 1.263 -0.277 -23.739 1.00 20.00 H
895ATOM 622 HD11 ILE A 43 3.547 0.302 -19.654 1.00 20.00 H
896ATOM 623 HD12 ILE A 43 2.092 1.181 -19.180 1.00 20.00 H
897ATOM 624 HD13 ILE A 43 2.513 -0.329 -18.372 1.00 20.00 H
898ATOM 625 N VAL A 44 2.689 -3.218 -23.144 1.00 19.35 N
899ATOM 626 CA VAL A 44 2.378 -4.642 -23.152 1.00 19.83 C
900ATOM 627 C VAL A 44 3.648 -5.481 -23.050 1.00 18.37 C
901ATOM 628 O VAL A 44 3.889 -6.138 -22.046 1.00 20.08 O
902ATOM 629 CB VAL A 44 1.603 -5.045 -24.421 1.00 22.51 C
903ATOM 630 CG1 VAL A 44 1.134 -6.489 -24.330 1.00 29.90 C
904ATOM 631 CG2 VAL A 44 0.425 -4.110 -24.643 1.00 22.31 C
905ATOM 632 H VAL A 44 2.581 -2.699 -23.968 1.00 20.00 H
906ATOM 633 HA VAL A 44 1.755 -4.850 -22.294 1.00 20.00 H
907ATOM 634 HB VAL A 44 2.268 -4.959 -25.267 1.00 20.00 H
908ATOM 635 HG11 VAL A 44 1.979 -7.128 -24.111 1.00 20.00 H
909ATOM 636 HG12 VAL A 44 0.403 -6.581 -23.540 1.00 20.00 H
910ATOM 637 HG13 VAL A 44 0.691 -6.786 -25.268 1.00 20.00 H
911ATOM 638 HG21 VAL A 44 -0.107 -3.975 -23.714 1.00 20.00 H
912ATOM 639 HG22 VAL A 44 0.787 -3.154 -24.992 1.00 20.00 H
913ATOM 640 HG23 VAL A 44 -0.238 -4.534 -25.381 1.00 20.00 H
914ATOM 641 N ASP A 45 4.461 -5.453 -24.095 1.00 19.78 N
915ATOM 642 CA ASP A 45 5.705 -6.215 -24.106 1.00 22.36 C
916ATOM 643 C ASP A 45 6.647 -5.800 -22.966 1.00 23.03 C
917ATOM 644 O ASP A 45 7.586 -6.527 -22.645 1.00 22.16 O
918ATOM 645 CB ASP A 45 6.414 -6.046 -25.450 1.00 29.90 C
919ATOM 646 CG ASP A 45 5.722 -6.802 -26.568 1.00 38.30 C
920ATOM 647 OD1 ASP A 45 4.732 -6.274 -27.117 1.00 34.84 O
921ATOM 648 OD2 ASP A 45 6.170 -7.921 -26.895 1.00 39.04 O
922ATOM 649 H ASP A 45 4.226 -4.910 -24.875 1.00 20.00 H
923ATOM 650 HA ASP A 45 5.451 -7.257 -23.977 1.00 20.00 H
924ATOM 651 HB2 ASP A 45 6.435 -4.998 -25.710 1.00 20.00 H
925ATOM 652 HB3 ASP A 45 7.426 -6.413 -25.365 1.00 20.00 H
926ATOM 653 N GLU A 46 6.416 -4.625 -22.371 1.00 21.13 N
927ATOM 654 CA GLU A 46 7.273 -4.137 -21.296 1.00 24.96 C
928ATOM 655 C GLU A 46 6.794 -4.570 -19.908 1.00 24.92 C
929ATOM 656 O GLU A 46 7.614 -4.862 -19.037 1.00 23.35 O
930ATOM 657 CB GLU A 46 7.364 -2.611 -21.352 1.00 32.84 C
931ATOM 658 CG GLU A 46 8.379 -2.026 -20.384 1.00 38.09 C
932ATOM 659 CD GLU A 46 9.783 -2.545 -20.629 1.00 41.51 C
933ATOM 660 OE1 GLU A 46 10.449 -2.040 -21.556 1.00 45.60 O
934ATOM 661 OE2 GLU A 46 10.215 -3.457 -19.893 1.00 41.76 O
935ATOM 662 H GLU A 46 5.671 -4.067 -22.668 1.00 20.00 H
936ATOM 663 HA GLU A 46 8.260 -4.544 -21.458 1.00 20.00 H
937ATOM 664 HB2 GLU A 46 7.640 -2.316 -22.353 1.00 20.00 H
938ATOM 665 HB3 GLU A 46 6.395 -2.197 -21.118 1.00 20.00 H
939ATOM 666 HG2 GLU A 46 8.385 -0.952 -20.494 1.00 20.00 H
940ATOM 667 HG3 GLU A 46 8.085 -2.283 -19.377 1.00 20.00 H
941ATOM 668 N CYS A 47 5.477 -4.583 -19.681 1.00 20.20 N
942ATOM 669 CA CYS A 47 4.941 -4.952 -18.363 1.00 19.56 C
943ATOM 670 C CYS A 47 4.158 -6.265 -18.383 1.00 28.23 C
944ATOM 671 O CYS A 47 4.078 -6.958 -17.368 1.00 21.99 O
945ATOM 672 CB CYS A 47 4.059 -3.832 -17.817 1.00 21.60 C
946ATOM 673 SG CYS A 47 4.283 -3.541 -16.033 1.00 26.79 S
947ATOM 674 H CYS A 47 4.860 -4.320 -20.398 1.00 20.00 H
948ATOM 675 HA CYS A 47 5.779 -5.071 -17.693 1.00 20.00 H
949ATOM 676 HB2 CYS A 47 4.294 -2.912 -18.332 1.00 20.00 H
950ATOM 677 HB3 CYS A 47 3.020 -4.079 -17.983 1.00 20.00 H
951ATOM 678 N CYS A 48 3.573 -6.607 -19.523 1.00 18.45 N
952ATOM 679 CA CYS A 48 2.802 -7.842 -19.631 1.00 17.21 C
953ATOM 680 C CYS A 48 3.729 -9.042 -19.788 1.00 19.88 C
954ATOM 681 O CYS A 48 3.549 -10.069 -19.133 1.00 23.54 O
955ATOM 682 CB CYS A 48 1.824 -7.773 -20.806 1.00 22.56 C
956ATOM 683 SG CYS A 48 0.641 -9.161 -20.880 1.00 25.89 S
957ATOM 684 H CYS A 48 3.658 -6.021 -20.305 1.00 20.00 H
958ATOM 685 HA CYS A 48 2.244 -7.957 -18.714 1.00 20.00 H
959ATOM 686 HB2 CYS A 48 1.253 -6.860 -20.736 1.00 20.00 H
960ATOM 687 HB3 CYS A 48 2.383 -7.771 -21.730 1.00 20.00 H
961ATOM 688 N PHE A 49 4.727 -8.904 -20.656 1.00 19.44 N
962ATOM 689 CA PHE A 49 5.688 -9.975 -20.890 1.00 26.47 C
963ATOM 690 C PHE A 49 6.738 -9.998 -19.784 1.00 27.42 C
964ATOM 691 O PHE A 49 7.195 -11.061 -19.365 1.00 31.83 O
965ATOM 692 CB PHE A 49 6.360 -9.795 -22.252 1.00 27.72 C
966ATOM 693 CG PHE A 49 5.623 -10.467 -23.378 1.00 32.07 C
967ATOM 694 CD1 PHE A 49 4.566 -9.831 -24.006 1.00 31.76 C
968ATOM 695 CD2 PHE A 49 5.990 -11.733 -23.805 1.00 29.85 C
969ATOM 696 CE1 PHE A 49 3.886 -10.445 -25.040 1.00 32.64 C
970ATOM 697 CE2 PHE A 49 5.312 -12.353 -24.839 1.00 29.98 C
971ATOM 698 CZ PHE A 49 4.260 -11.707 -25.458 1.00 24.87 C
972ATOM 699 H PHE A 49 4.823 -8.059 -21.144 1.00 20.00 H
973ATOM 700 HA PHE A 49 5.151 -10.911 -20.881 1.00 20.00 H
974ATOM 701 HB2 PHE A 49 6.422 -8.742 -22.480 1.00 20.00 H
975ATOM 702 HB3 PHE A 49 7.357 -10.210 -22.212 1.00 20.00 H
976ATOM 703 HD1 PHE A 49 4.271 -8.843 -23.681 1.00 20.00 H
977ATOM 704 HD2 PHE A 49 6.811 -12.239 -23.322 1.00 20.00 H
978ATOM 705 HE1 PHE A 49 3.063 -9.938 -25.524 1.00 20.00 H
979ATOM 706 HE2 PHE A 49 5.608 -13.339 -25.163 1.00 20.00 H
980ATOM 707 HZ PHE A 49 3.730 -12.190 -26.266 1.00 20.00 H
981ATOM 708 N ARG A 50 7.105 -8.812 -19.307 1.00 29.59 N
982ATOM 709 CA ARG A 50 8.089 -8.677 -18.239 1.00 26.05 C
983ATOM 710 C ARG A 50 7.495 -7.890 -17.077 1.00 25.89 C
984ATOM 711 O ARG A 50 6.556 -7.124 -17.262 1.00 19.42 O
985ATOM 712 CB ARG A 50 9.348 -7.974 -18.755 1.00 23.82 C
986ATOM 713 CG ARG A 50 9.833 -8.493 -20.101 1.00 26.06 C
987ATOM 714 CD ARG A 50 10.696 -7.464 -20.814 1.00 29.51 C
988ATOM 715 NE ARG A 50 12.050 -7.405 -20.261 1.00 39.53 N
989ATOM 716 CZ ARG A 50 13.034 -8.246 -20.587 1.00 41.06 C
990ATOM 717 NH1 ARG A 50 12.833 -9.224 -21.466 1.00 40.37 N
991ATOM 718 NH2 ARG A 50 14.230 -8.108 -20.031 1.00 40.98 N
992ATOM 719 H ARG A 50 6.695 -8.003 -19.679 1.00 20.00 H
993ATOM 720 HA ARG A 50 8.350 -9.667 -17.897 1.00 20.00 H
994ATOM 721 HB2 ARG A 50 9.140 -6.919 -18.856 1.00 20.00 H
995ATOM 722 HB3 ARG A 50 10.141 -8.108 -18.035 1.00 20.00 H
996ATOM 723 HG2 ARG A 50 10.416 -9.387 -19.941 1.00 20.00 H
997ATOM 724 HG3 ARG A 50 8.978 -8.722 -20.719 1.00 20.00 H
998ATOM 725 HD2 ARG A 50 10.756 -7.727 -21.860 1.00 20.00 H
999ATOM 726 HD3 ARG A 50 10.234 -6.494 -20.714 1.00 20.00 H
1000ATOM 727 HE ARG A 50 12.238 -6.698 -19.608 1.00 20.00 H
1001ATOM 728 HH11 ARG A 50 11.937 -9.340 -21.894 1.00 20.00 H
1002ATOM 729 HH12 ARG A 50 13.580 -9.846 -21.699 1.00 20.00 H
1003ATOM 730 HH21 ARG A 50 14.391 -7.377 -19.369 1.00 20.00 H
1004ATOM 731 HH22 ARG A 50 14.970 -8.736 -20.273 1.00 20.00 H
1005ATOM 732 N SER A 51 8.036 -8.080 -15.879 1.00 25.83 N
1006ATOM 733 CA SER A 51 7.535 -7.375 -14.703 1.00 28.49 C
1007ATOM 734 C SER A 51 8.127 -5.971 -14.611 1.00 22.34 C
1008ATOM 735 O SER A 51 9.322 -5.806 -14.372 1.00 28.05 O
1009ATOM 736 CB SER A 51 7.863 -8.163 -13.434 1.00 29.44 C
1010ATOM 737 OG SER A 51 9.186 -8.670 -13.476 1.00 42.62 O
1011ATOM 738 H SER A 51 8.784 -8.706 -15.784 1.00 20.00 H
1012ATOM 739 HA SER A 51 6.462 -7.295 -14.797 1.00 20.00 H
1013ATOM 740 HB2 SER A 51 7.765 -7.518 -12.575 1.00 20.00 H
1014ATOM 741 HB3 SER A 51 7.175 -8.992 -13.342 1.00 20.00 H
1015ATOM 742 HG SER A 51 9.348 -9.208 -12.697 1.00 20.00 H
1016ATOM 743 N CYS A 52 7.282 -4.955 -14.805 1.00 21.96 N
1017ATOM 744 CA CYS A 52 7.729 -3.563 -14.743 1.00 24.73 C
1018ATOM 745 C CYS A 52 7.264 -2.894 -13.442 1.00 25.51 C
1019ATOM 746 O CYS A 52 6.873 -3.569 -12.490 1.00 23.80 O
1020ATOM 747 CB CYS A 52 7.259 -2.790 -16.011 1.00 24.55 C
1021ATOM 748 SG CYS A 52 5.598 -1.998 -15.960 1.00 28.05 S
1022ATOM 749 H CYS A 52 6.339 -5.146 -14.993 1.00 20.00 H
1023ATOM 750 HA CYS A 52 8.811 -3.575 -14.739 1.00 20.00 H
1024ATOM 751 HB2 CYS A 52 7.971 -2.007 -16.214 1.00 20.00 H
1025ATOM 752 HB3 CYS A 52 7.262 -3.478 -16.846 1.00 20.00 H
1026ATOM 753 N ASP A 53 7.300 -1.565 -13.424 1.00 27.35 N
1027ATOM 754 CA ASP A 53 6.870 -0.800 -12.256 1.00 28.62 C
1028ATOM 755 C ASP A 53 5.618 0.007 -12.584 1.00 23.60 C
1029ATOM 756 O ASP A 53 5.429 0.446 -13.718 1.00 21.40 O
1030ATOM 757 CB ASP A 53 7.991 0.127 -11.773 1.00 34.84 C
1031ATOM 758 CG ASP A 53 8.653 0.887 -12.906 1.00 39.80 C
1032ATOM 759 OD1 ASP A 53 9.214 0.234 -13.811 1.00 46.35 O
1033ATOM 760 OD2 ASP A 53 8.610 2.136 -12.888 1.00 44.65 O
1034ATOM 761 H ASP A 53 7.612 -1.084 -14.220 1.00 20.00 H
1035ATOM 762 HA ASP A 53 6.633 -1.501 -11.469 1.00 20.00 H
1036ATOM 763 HB2 ASP A 53 7.580 0.844 -11.079 1.00 20.00 H
1037ATOM 764 HB3 ASP A 53 8.743 -0.462 -11.271 1.00 20.00 H
1038ATOM 765 N LEU A 54 4.760 0.190 -11.586 1.00 20.38 N
1039ATOM 766 CA LEU A 54 3.517 0.932 -11.768 1.00 14.25 C
1040ATOM 767 C LEU A 54 3.779 2.393 -12.132 1.00 23.79 C
1041ATOM 768 O LEU A 54 2.956 3.034 -12.786 1.00 23.74 O
1042ATOM 769 CB LEU A 54 2.666 0.854 -10.500 1.00 21.53 C
1043ATOM 770 CG LEU A 54 1.977 -0.492 -10.265 1.00 22.22 C
1044ATOM 771 CD1 LEU A 54 3.005 -1.591 -10.048 1.00 21.85 C
1045ATOM 772 CD2 LEU A 54 1.030 -0.407 -9.077 1.00 20.36 C
1046ATOM 773 H LEU A 54 4.965 -0.191 -10.706 1.00 20.00 H
1047ATOM 774 HA LEU A 54 2.973 0.470 -12.578 1.00 20.00 H
1048ATOM 775 HB2 LEU A 54 3.302 1.063 -9.651 1.00 20.00 H
1049ATOM 776 HB3 LEU A 54 1.905 1.618 -10.555 1.00 20.00 H
1050ATOM 777 HG LEU A 54 1.396 -0.748 -11.139 1.00 20.00 H
1051ATOM 778 HD11 LEU A 54 3.712 -1.279 -9.294 1.00 20.00 H
1052ATOM 779 HD12 LEU A 54 2.505 -2.492 -9.721 1.00 20.00 H
1053ATOM 780 HD13 LEU A 54 3.527 -1.786 -10.973 1.00 20.00 H
1054ATOM 781 HD21 LEU A 54 0.319 0.388 -9.240 1.00 20.00 H
1055ATOM 782 HD22 LEU A 54 0.504 -1.344 -8.972 1.00 20.00 H
1056ATOM 783 HD23 LEU A 54 1.595 -0.209 -8.180 1.00 20.00 H
1057ATOM 784 N ARG A 55 4.923 2.920 -11.704 1.00 23.24 N
1058ATOM 785 CA ARG A 55 5.278 4.307 -11.988 1.00 26.67 C
1059ATOM 786 C ARG A 55 5.316 4.580 -13.493 1.00 25.72 C
1060ATOM 787 O ARG A 55 5.104 5.710 -13.930 1.00 28.77 O
1061ATOM 788 CB ARG A 55 6.629 4.649 -11.357 1.00 33.74 C
1062ATOM 789 CG ARG A 55 6.584 4.726 -9.839 1.00 47.08 C
1063ATOM 790 CD ARG A 55 7.816 5.417 -9.277 1.00 59.43 C
1064ATOM 791 NE ARG A 55 7.702 5.649 -7.836 1.00 68.64 N
1065ATOM 792 CZ ARG A 55 8.401 6.567 -7.163 1.00 73.73 C
1066ATOM 793 NH1 ARG A 55 9.278 7.348 -7.788 1.00 74.93 N
1067ATOM 794 NH2 ARG A 55 8.222 6.703 -5.857 1.00 72.23 N
1068ATOM 795 H ARG A 55 5.541 2.366 -11.183 1.00 20.00 H
1069ATOM 796 HA ARG A 55 4.520 4.935 -11.545 1.00 20.00 H
1070ATOM 797 HB2 ARG A 55 7.347 3.892 -11.637 1.00 20.00 H
1071ATOM 798 HB3 ARG A 55 6.960 5.604 -11.735 1.00 20.00 H
1072ATOM 799 HG2 ARG A 55 5.707 5.282 -9.544 1.00 20.00 H
1073ATOM 800 HG3 ARG A 55 6.529 3.725 -9.439 1.00 20.00 H
1074ATOM 801 HD2 ARG A 55 8.679 4.796 -9.466 1.00 20.00 H
1075ATOM 802 HD3 ARG A 55 7.940 6.367 -9.776 1.00 20.00 H
1076ATOM 803 HE ARG A 55 7.069 5.091 -7.340 1.00 20.00 H
1077ATOM 804 HH11 ARG A 55 9.423 7.256 -8.771 1.00 20.00 H
1078ATOM 805 HH12 ARG A 55 9.794 8.032 -7.270 1.00 20.00 H
1079ATOM 806 HH21 ARG A 55 7.565 6.119 -5.379 1.00 20.00 H
1080ATOM 807 HH22 ARG A 55 8.742 7.390 -5.349 1.00 20.00 H
1081ATOM 808 N ARG A 56 5.585 3.541 -14.284 1.00 21.19 N
1082ATOM 809 CA ARG A 56 5.643 3.684 -15.737 1.00 27.70 C
1083ATOM 810 C ARG A 56 4.303 4.157 -16.296 1.00 25.14 C
1084ATOM 811 O ARG A 56 4.256 4.831 -17.325 1.00 25.99 O
1085ATOM 812 CB ARG A 56 6.033 2.357 -16.396 1.00 35.27 C
1086ATOM 813 CG ARG A 56 7.278 1.711 -15.808 1.00 42.72 C
1087ATOM 814 CD ARG A 56 8.497 2.612 -15.938 1.00 52.32 C
1088ATOM 815 NE ARG A 56 9.072 2.568 -17.284 1.00 59.61 N
1089ATOM 816 CZ ARG A 56 10.329 2.914 -17.577 1.00 61.66 C
1090ATOM 817 NH1 ARG A 56 11.162 3.329 -16.627 1.00 64.42 N
1091ATOM 818 NH2 ARG A 56 10.755 2.841 -18.832 1.00 62.77 N
1092ATOM 819 H ARG A 56 5.744 2.662 -13.884 1.00 20.00 H
1093ATOM 820 HA ARG A 56 6.396 4.425 -15.967 1.00 20.00 H
1094ATOM 821 HB2 ARG A 56 5.213 1.663 -16.290 1.00 20.00 H
1095ATOM 822 HB3 ARG A 56 6.209 2.531 -17.448 1.00 20.00 H
1096ATOM 823 HG2 ARG A 56 7.106 1.505 -14.767 1.00 20.00 H
1097ATOM 824 HG3 ARG A 56 7.471 0.786 -16.332 1.00 20.00 H
1098ATOM 825 HD2 ARG A 56 8.207 3.628 -15.714 1.00 20.00 H
1099ATOM 826 HD3 ARG A 56 9.245 2.288 -15.229 1.00 20.00 H
1100ATOM 827 HE ARG A 56 8.489 2.265 -18.011 1.00 20.00 H
1101ATOM 828 HH11 ARG A 56 10.853 3.387 -15.679 1.00 20.00 H
1102ATOM 829 HH12 ARG A 56 12.100 3.585 -16.864 1.00 20.00 H
1103ATOM 830 HH21 ARG A 56 10.136 2.528 -19.553 1.00 20.00 H
1104ATOM 831 HH22 ARG A 56 11.694 3.098 -19.056 1.00 20.00 H
1105ATOM 832 N LEU A 57 3.218 3.792 -15.619 1.00 21.87 N
1106ATOM 833 CA LEU A 57 1.876 4.171 -16.051 1.00 22.79 C
1107ATOM 834 C LEU A 57 1.732 5.687 -16.176 1.00 20.53 C
1108ATOM 835 O LEU A 57 0.965 6.179 -17.002 1.00 19.79 O
1109ATOM 836 CB LEU A 57 0.834 3.634 -15.066 1.00 22.01 C
1110ATOM 837 CG LEU A 57 0.850 2.116 -14.868 1.00 22.86 C
1111ATOM 838 CD1 LEU A 57 0.520 1.755 -13.428 1.00 27.83 C
1112ATOM 839 CD2 LEU A 57 -0.131 1.448 -15.819 1.00 32.64 C
1113ATOM 840 H LEU A 57 3.319 3.249 -14.809 1.00 20.00 H
1114ATOM 841 HA LEU A 57 1.704 3.725 -17.019 1.00 20.00 H
1115ATOM 842 HB2 LEU A 57 1.001 4.108 -14.110 1.00 20.00 H
1116ATOM 843 HB3 LEU A 57 -0.145 3.918 -15.422 1.00 20.00 H
1117ATOM 844 HG LEU A 57 1.838 1.738 -15.085 1.00 20.00 H
1118ATOM 845 HD11 LEU A 57 0.755 2.591 -12.785 1.00 20.00 H
1119ATOM 846 HD12 LEU A 57 -0.533 1.524 -13.348 1.00 20.00 H
1120ATOM 847 HD13 LEU A 57 1.101 0.896 -13.130 1.00 20.00 H
1121ATOM 848 HD21 LEU A 57 -1.115 1.869 -15.676 1.00 20.00 H
1122ATOM 849 HD22 LEU A 57 0.187 1.611 -16.838 1.00 20.00 H
1123ATOM 850 HD23 LEU A 57 -0.163 0.387 -15.616 1.00 20.00 H
1124ATOM 851 N GLU A 58 2.468 6.422 -15.348 1.00 18.07 N
1125ATOM 852 CA GLU A 58 2.414 7.879 -15.365 1.00 17.97 C
1126ATOM 853 C GLU A 58 3.038 8.445 -16.638 1.00 14.19 C
1127ATOM 854 O GLU A 58 2.593 9.470 -17.155 1.00 26.60 O
1128ATOM 855 CB GLU A 58 3.127 8.450 -14.138 1.00 24.34 C
1129ATOM 856 CG GLU A 58 2.307 8.363 -12.862 1.00 36.31 C
1130ATOM 857 CD GLU A 58 3.058 8.876 -11.650 1.00 41.86 C
1131ATOM 858 OE1 GLU A 58 3.091 10.108 -11.449 1.00 36.76 O
1132ATOM 859 OE2 GLU A 58 3.615 8.046 -10.902 1.00 39.29 O
1133ATOM 860 H GLU A 58 3.059 5.971 -14.708 1.00 20.00 H
1134ATOM 861 HA GLU A 58 1.374 8.169 -15.331 1.00 20.00 H
1135ATOM 862 HB2 GLU A 58 4.048 7.909 -13.986 1.00 20.00 H
1136ATOM 863 HB3 GLU A 58 3.358 9.490 -14.322 1.00 20.00 H
1137ATOM 864 HG2 GLU A 58 1.410 8.952 -12.985 1.00 20.00 H
1138ATOM 865 HG3 GLU A 58 2.039 7.332 -12.692 1.00 20.00 H
1139ATOM 866 N MET A 59 4.072 7.775 -17.139 1.00 15.83 N
1140ATOM 867 CA MET A 59 4.759 8.216 -18.350 1.00 21.59 C
1141ATOM 868 C MET A 59 3.801 8.292 -19.534 1.00 23.34 C
1142ATOM 869 O MET A 59 3.816 9.255 -20.298 1.00 25.38 O
1143ATOM 870 CB MET A 59 5.909 7.267 -18.686 1.00 23.71 C
1144ATOM 871 CG MET A 59 6.978 7.191 -17.610 1.00 27.46 C
1145ATOM 872 SD MET A 59 8.386 6.181 -18.106 1.00 38.20 S
1146ATOM 873 CE MET A 59 7.550 4.729 -18.737 1.00 38.66 C
1147ATOM 874 H MET A 59 4.383 6.966 -16.680 1.00 20.00 H
1148ATOM 875 HA MET A 59 5.161 9.201 -18.163 1.00 20.00 H
1149ATOM 876 HB2 MET A 59 5.509 6.275 -18.833 1.00 20.00 H
1150ATOM 877 HB3 MET A 59 6.374 7.594 -19.603 1.00 20.00 H
1151ATOM 878 HG2 MET A 59 7.327 8.191 -17.397 1.00 20.00 H
1152ATOM 879 HG3 MET A 59 6.542 6.766 -16.720 1.00 20.00 H
1153ATOM 880 HE1 MET A 59 6.895 4.332 -17.977 1.00 20.00 H
1154ATOM 881 HE2 MET A 59 6.968 4.999 -19.607 1.00 20.00 H
1155ATOM 882 HE3 MET A 59 8.280 3.983 -19.012 1.00 20.00 H
1156ATOM 883 N TYR A 60 2.978 7.261 -19.683 1.00 19.16 N
1157ATOM 884 CA TYR A 60 2.022 7.199 -20.780 1.00 18.17 C
1158ATOM 885 C TYR A 60 0.935 8.263 -20.639 1.00 22.93 C
1159ATOM 886 O TYR A 60 0.369 8.717 -21.633 1.00 22.51 O
1160ATOM 887 CB TYR A 60 1.394 5.807 -20.850 1.00 18.20 C
1161ATOM 888 CG TYR A 60 2.413 4.701 -21.007 1.00 20.05 C
1162ATOM 889 CD1 TYR A 60 3.037 4.475 -22.227 1.00 20.40 C
1163ATOM 890 CD2 TYR A 60 2.757 3.889 -19.934 1.00 23.58 C
1164ATOM 891 CE1 TYR A 60 3.973 3.469 -22.376 1.00 22.99 C
1165ATOM 892 CE2 TYR A 60 3.693 2.882 -20.073 1.00 24.88 C
1166ATOM 893 CZ TYR A 60 4.297 2.675 -21.296 1.00 25.27 C
1167ATOM 894 OH TYR A 60 5.232 1.674 -21.440 1.00 24.52 O
1168ATOM 895 H TYR A 60 3.022 6.518 -19.046 1.00 20.00 H
1169ATOM 896 HA TYR A 60 2.565 7.381 -21.696 1.00 20.00 H
1170ATOM 897 HB2 TYR A 60 0.839 5.623 -19.944 1.00 20.00 H
1171ATOM 898 HB3 TYR A 60 0.723 5.764 -21.696 1.00 20.00 H
1172ATOM 899 HD1 TYR A 60 2.781 5.098 -23.070 1.00 20.00 H
1173ATOM 900 HD2 TYR A 60 2.281 4.053 -18.978 1.00 20.00 H
1174ATOM 901 HE1 TYR A 60 4.445 3.308 -23.333 1.00 20.00 H
1175ATOM 902 HE2 TYR A 60 3.946 2.260 -19.228 1.00 20.00 H
1176ATOM 903 HH TYR A 60 4.967 0.909 -20.926 1.00 20.00 H
1177ATOM 904 N CYS A 61 0.647 8.662 -19.402 1.00 18.42 N
1178ATOM 905 CA CYS A 61 -0.373 9.675 -19.148 1.00 15.63 C
1179ATOM 906 C CYS A 61 -0.010 10.992 -19.830 1.00 19.70 C
1180ATOM 907 O CYS A 61 1.112 11.482 -19.699 1.00 25.04 O
1181ATOM 908 CB CYS A 61 -0.547 9.901 -17.645 1.00 22.45 C
1182ATOM 909 SG CYS A 61 -0.926 8.392 -16.691 1.00 24.27 S
1183ATOM 910 H CYS A 61 1.129 8.269 -18.645 1.00 20.00 H
1184ATOM 911 HA CYS A 61 -1.304 9.316 -19.560 1.00 20.00 H
1185ATOM 912 HB2 CYS A 61 0.364 10.319 -17.244 1.00 20.00 H
1186ATOM 913 HB3 CYS A 61 -1.355 10.600 -17.487 1.00 20.00 H
1187ATOM 914 N ALA A 62 -0.967 11.560 -20.557 1.00 24.74 N
1188ATOM 915 CA ALA A 62 -0.748 12.820 -21.260 1.00 31.14 C
1189ATOM 916 C ALA A 62 -0.553 13.978 -20.274 1.00 36.05 C
1190ATOM 917 O ALA A 62 -0.905 13.858 -19.100 1.00 33.02 O
1191ATOM 918 CB ALA A 62 -1.913 13.110 -22.194 1.00 24.85 C
1192ATOM 919 H ALA A 62 -1.841 11.121 -20.624 1.00 20.00 H
1193ATOM 920 HA ALA A 62 0.145 12.716 -21.859 1.00 20.00 H
1194ATOM 921 HB1 ALA A 62 -2.321 12.181 -22.562 1.00 20.00 H
1195ATOM 922 HB2 ALA A 62 -2.678 13.651 -21.657 1.00 20.00 H
1196ATOM 923 HB3 ALA A 62 -1.567 13.706 -23.027 1.00 20.00 H
1197ATOM 924 N PRO A 63 0.015 15.126 -20.725 1.00 44.06 N
1198ATOM 925 CA PRO A 63 0.239 16.280 -19.847 1.00 46.88 C
1199ATOM 926 C PRO A 63 -1.042 17.059 -19.559 1.00 48.13 C
1200ATOM 927 O PRO A 63 -1.151 17.730 -18.532 1.00 54.36 O
1201ATOM 928 CB PRO A 63 1.217 17.140 -20.645 1.00 47.68 C
1202ATOM 929 CG PRO A 63 0.899 16.842 -22.069 1.00 49.88 C
1203ATOM 930 CD PRO A 63 0.482 15.396 -22.107 1.00 47.05 C
1204ATOM 931 HA PRO A 63 0.695 15.983 -18.915 1.00 20.00 H
1205ATOM 932 HB2 PRO A 63 1.057 18.184 -20.413 1.00 20.00 H
1206ATOM 933 HB3 PRO A 63 2.231 16.863 -20.400 1.00 20.00 H
1207ATOM 934 HG2 PRO A 63 0.093 17.475 -22.405 1.00 20.00 H
1208ATOM 935 HG3 PRO A 63 1.777 16.995 -22.679 1.00 20.00 H
1209ATOM 936 HD2 PRO A 63 -0.319 15.256 -22.818 1.00 20.00 H
1210ATOM 937 HD3 PRO A 63 1.323 14.767 -22.357 1.00 20.00 H
1211ATOM 938 N LEU A 64 -2.009 16.971 -20.470 1.00 51.56 N
1212ATOM 939 CA LEU A 64 -3.280 17.672 -20.311 1.00 61.37 C
1213ATOM 940 C LEU A 64 -3.984 17.257 -19.021 1.00 67.33 C
1214ATOM 941 O LEU A 64 -3.563 16.317 -18.347 1.00 71.54 O
1215ATOM 942 CB LEU A 64 -4.189 17.396 -21.513 1.00 63.79 C
1216ATOM 943 CG LEU A 64 -4.692 15.953 -21.627 1.00 60.23 C
1217ATOM 944 CD1 LEU A 64 -6.054 15.810 -20.963 1.00 61.06 C
1218ATOM 945 CD2 LEU A 64 -4.763 15.518 -23.084 1.00 58.43 C
1219ATOM 946 H LEU A 64 -1.864 16.423 -21.269 1.00 20.00 H
1220ATOM 947 HA LEU A 64 -3.070 18.730 -20.268 1.00 20.00 H
1221ATOM 948 HB2 LEU A 64 -5.045 18.052 -21.445 1.00 20.00 H
1222ATOM 949 HB3 LEU A 64 -3.641 17.639 -22.411 1.00 20.00 H
1223ATOM 950 HG LEU A 64 -4.003 15.298 -21.115 1.00 20.00 H
1224ATOM 951 HD11 LEU A 64 -6.745 16.513 -21.404 1.00 20.00 H
1225ATOM 952 HD12 LEU A 64 -6.420 14.805 -21.108 1.00 20.00 H
1226ATOM 953 HD13 LEU A 64 -5.960 16.010 -19.905 1.00 20.00 H
1227ATOM 954 HD21 LEU A 64 -3.871 15.839 -23.600 1.00 20.00 H
1228ATOM 955 HD22 LEU A 64 -4.841 14.441 -23.134 1.00 20.00 H
1229ATOM 956 HD23 LEU A 64 -5.629 15.963 -23.551 1.00 20.00 H
1230ATOM 957 N LYS A 65 -5.056 17.968 -18.684 1.00 0.00 N
1231ATOM 958 CA LYS A 65 -5.819 17.676 -17.477 1.00 0.00 C
1232ATOM 959 C LYS A 65 -7.303 18.011 -17.673 1.00 0.00 C
1233ATOM 960 O LYS A 65 -7.629 19.026 -18.290 1.00 0.00 O
1234ATOM 961 CB LYS A 65 -5.258 18.466 -16.292 1.00 0.00 C
1235ATOM 962 CG LYS A 65 -5.855 18.063 -14.954 1.00 0.00 C
1236ATOM 963 CD LYS A 65 -5.335 18.939 -13.825 1.00 0.00 C
1237ATOM 964 CE LYS A 65 -6.076 20.264 -13.764 1.00 0.00 C
1238ATOM 965 NZ LYS A 65 -5.657 21.081 -12.589 1.00 0.00 N
1239ATOM 966 H LYS A 65 -5.340 18.707 -19.263 1.00 20.00 H
1240ATOM 967 HA LYS A 65 -5.725 16.620 -17.272 1.00 20.00 H
1241ATOM 968 HB2 LYS A 65 -4.189 18.311 -16.245 1.00 20.00 H
1242ATOM 969 HB3 LYS A 65 -5.455 19.515 -16.449 1.00 20.00 H
1243ATOM 970 HG2 LYS A 65 -6.929 18.162 -15.006 1.00 20.00 H
1244ATOM 971 HG3 LYS A 65 -5.596 17.034 -14.750 1.00 20.00 H
1245ATOM 972 HD2 LYS A 65 -5.468 18.419 -12.889 1.00 20.00 H
1246ATOM 973 HD3 LYS A 65 -4.284 19.131 -13.987 1.00 20.00 H
1247ATOM 974 HE2 LYS A 65 -5.873 20.820 -14.666 1.00 20.00 H
1248ATOM 975 HE3 LYS A 65 -7.136 20.068 -13.695 1.00 20.00 H
1249ATOM 976 HZ1 LYS A 65 -5.753 20.526 -11.715 1.00 20.00 H
1250ATOM 977 HZ2 LYS A 65 -4.665 21.374 -12.694 1.00 20.00 H
1251ATOM 978 HZ3 LYS A 65 -6.253 21.930 -12.514 1.00 20.00 H
1252ATOM 979 N PRO A 66 -8.233 17.171 -17.155 1.00 0.00 N
1253ATOM 980 CA PRO A 66 -9.672 17.422 -17.301 1.00 0.00 C
1254ATOM 981 C PRO A 66 -10.138 18.618 -16.477 1.00 0.00 C
1255ATOM 982 O PRO A 66 -9.325 19.375 -15.950 1.00 0.00 O
1256ATOM 983 CB PRO A 66 -10.317 16.134 -16.784 1.00 0.00 C
1257ATOM 984 CG PRO A 66 -9.319 15.565 -15.838 1.00 0.00 C
1258ATOM 985 CD PRO A 66 -7.971 15.924 -16.397 1.00 0.00 C
1259ATOM 986 HA PRO A 66 -9.943 17.573 -18.336 1.00 20.00 H
1260ATOM 987 HB2 PRO A 66 -11.247 16.369 -16.285 1.00 20.00 H
1261ATOM 988 HB3 PRO A 66 -10.504 15.465 -17.610 1.00 20.00 H
1262ATOM 989 HG2 PRO A 66 -9.449 16.003 -14.859 1.00 20.00 H
1263ATOM 990 HG3 PRO A 66 -9.430 14.492 -15.789 1.00 20.00 H
1264ATOM 991 HD2 PRO A 66 -7.266 16.101 -15.598 1.00 20.00 H
1265ATOM 992 HD3 PRO A 66 -7.614 15.144 -17.052 1.00 20.00 H
1266ATOM 993 N ALA A 67 -11.452 18.781 -16.373 1.00 0.00 N
1267ATOM 994 CA ALA A 67 -12.029 19.885 -15.613 1.00 0.00 C
1268ATOM 995 C ALA A 67 -12.238 19.498 -14.153 1.00 0.00 C
1269ATOM 996 O ALA A 67 -12.499 18.336 -13.840 1.00 0.00 O
1270ATOM 997 CB ALA A 67 -13.345 20.324 -16.238 1.00 0.00 C
1271ATOM 998 H ALA A 67 -12.050 18.144 -16.817 1.00 20.00 H
1272ATOM 999 HA ALA A 67 -11.340 20.716 -15.660 1.00 20.00 H
1273ATOM 1000 HB1 ALA A 67 -13.180 20.592 -17.272 1.00 20.00 H
1274ATOM 1001 HB2 ALA A 67 -14.056 19.514 -16.184 1.00 20.00 H
1275ATOM 1002 HB3 ALA A 67 -13.731 21.179 -15.702 1.00 20.00 H
1276ATOM 1003 N LYS A 68 -12.123 20.479 -13.264 1.00 0.00 N
1277ATOM 1004 CA LYS A 68 -12.300 20.241 -11.837 1.00 0.00 C
1278ATOM 1005 C LYS A 68 -12.484 21.557 -11.086 1.00 0.00 C
1279ATOM 1006 O LYS A 68 -12.009 22.605 -11.524 1.00 0.00 O
1280ATOM 1007 CB LYS A 68 -11.098 19.482 -11.272 1.00 0.00 C
1281ATOM 1008 CG LYS A 68 -11.362 18.850 -9.914 1.00 0.00 C
1282ATOM 1009 CD LYS A 68 -10.266 17.867 -9.534 1.00 0.00 C
1283ATOM 1010 CE LYS A 68 -10.424 16.545 -10.265 1.00 0.00 C
1284ATOM 1011 NZ LYS A 68 -9.307 15.608 -9.966 1.00 0.00 N
1285ATOM 1012 H LYS A 68 -11.914 21.384 -13.576 1.00 20.00 H
1286ATOM 1013 HA LYS A 68 -13.187 19.640 -11.709 1.00 20.00 H
1287ATOM 1014 HB2 LYS A 68 -10.824 18.698 -11.962 1.00 20.00 H
1288ATOM 1015 HB3 LYS A 68 -10.269 20.166 -11.170 1.00 20.00 H
1289ATOM 1016 HG2 LYS A 68 -11.408 19.629 -9.167 1.00 20.00 H
1290ATOM 1017 HG3 LYS A 68 -12.306 18.327 -9.950 1.00 20.00 H
1291ATOM 1018 HD2 LYS A 68 -9.308 18.297 -9.787 1.00 20.00 H
1292ATOM 1019 HD3 LYS A 68 -10.311 17.689 -8.469 1.00 20.00 H
1293ATOM 1020 HE2 LYS A 68 -11.355 16.090 -9.963 1.00 20.00 H
1294ATOM 1021 HE3 LYS A 68 -10.446 16.738 -11.328 1.00 20.00 H
1295ATOM 1022 HZ1 LYS A 68 -9.245 15.442 -8.941 1.00 20.00 H
1296ATOM 1023 HZ2 LYS A 68 -9.467 14.698 -10.444 1.00 20.00 H
1297ATOM 1024 HZ3 LYS A 68 -8.405 16.008 -10.297 1.00 20.00 H
1298ATOM 1025 N SER A 69 -13.177 21.494 -9.955 1.00 0.00 N
1299ATOM 1026 CA SER A 69 -13.424 22.681 -9.143 1.00 0.00 C
1300ATOM 1027 C SER A 69 -12.267 22.933 -8.181 1.00 0.00 C
1301ATOM 1028 O SER A 69 -11.821 22.027 -7.480 1.00 0.00 O
1302ATOM 1029 CB SER A 69 -14.728 22.527 -8.359 1.00 0.00 C
1303ATOM 1030 OG SER A 69 -15.078 23.734 -7.704 1.00 0.00 O
1304ATOM 1031 H SER A 69 -13.530 20.630 -9.657 1.00 20.00 H
1305ATOM 1032 HA SER A 69 -13.513 23.525 -9.810 1.00 20.00 H
1306ATOM 1033 HB2 SER A 69 -15.525 22.258 -9.037 1.00 20.00 H
1307ATOM 1034 HB3 SER A 69 -14.610 21.751 -7.617 1.00 20.00 H
1308ATOM 1035 HG SER A 69 -16.028 23.764 -7.571 1.00 20.00 H
1309ATOM 1036 N ALA A 70 -11.786 24.172 -8.156 1.00 0.00 N
1310ATOM 1037 CA ALA A 70 -10.681 24.544 -7.283 1.00 0.00 C
1311ATOM 1038 C ALA A 70 -10.705 26.037 -6.971 1.00 0.00 C
1312ATOM 1039 O ALA A 70 -10.824 26.837 -7.924 1.00 20.00 O
1313ATOM 1040 CB ALA A 70 -9.354 24.157 -7.917 1.00 0.00 C
1314ATOM 1041 OXT ALA A 70 -10.605 26.394 -5.779 1.00 20.00 O
1315ATOM 1042 H ALA A 70 -12.183 24.852 -8.741 1.00 20.00 H
1316ATOM 1043 HA ALA A 70 -10.786 23.994 -6.359 1.00 20.00 H
1317ATOM 1044 HB1 ALA A 70 -9.340 23.093 -8.100 1.00 20.00 H
1318ATOM 1045 HB2 ALA A 70 -9.232 24.687 -8.849 1.00 20.00 H
1319ATOM 1046 HB3 ALA A 70 -8.545 24.416 -7.247 1.00 20.00 H
1320TER 1047 ALA A 70
1321ATOM 1048 N ARG B 101 -1.258 2.856 2.787 1.00 0.00 N
1322ATOM 1049 CA ARG B 101 0.148 2.819 2.307 1.00 0.00 C
1323ATOM 1050 C ARG B 101 0.238 3.214 0.837 1.00 0.00 C
1324ATOM 1051 O ARG B 101 -0.762 3.571 0.216 1.00 0.00 O
1325ATOM 1052 CB ARG B 101 0.693 1.403 2.508 1.00 0.00 C
1326ATOM 1053 CG ARG B 101 -0.154 0.325 1.851 1.00 0.00 C
1327ATOM 1054 CD ARG B 101 0.699 -0.841 1.376 1.00 0.00 C
1328ATOM 1055 NE ARG B 101 1.563 -1.357 2.438 1.00 0.00 N
1329ATOM 1056 CZ ARG B 101 2.672 -2.071 2.226 1.00 0.00 C
1330ATOM 1057 NH1 ARG B 101 3.069 -2.363 0.991 1.00 0.00 N
1331ATOM 1058 NH2 ARG B 101 3.388 -2.494 3.258 1.00 0.00 N
1332ATOM 1059 H1 ARG B 101 -1.823 2.244 2.166 1.00 20.00 H
1333ATOM 1060 H2 ARG B 101 -1.584 3.843 2.736 1.00 20.00 H
1334ATOM 1061 H3 ARG B 101 -1.269 2.508 3.767 1.00 20.00 H
1335ATOM 1062 HA ARG B 101 0.730 3.511 2.895 1.00 20.00 H
1336ATOM 1063 HB2 ARG B 101 1.689 1.352 2.094 1.00 20.00 H
1337ATOM 1064 HB3 ARG B 101 0.743 1.197 3.568 1.00 20.00 H
1338ATOM 1065 HG2 ARG B 101 -0.875 -0.038 2.568 1.00 20.00 H
1339ATOM 1066 HG3 ARG B 101 -0.669 0.753 1.004 1.00 20.00 H
1340ATOM 1067 HD2 ARG B 101 0.046 -1.632 1.040 1.00 20.00 H
1341ATOM 1068 HD3 ARG B 101 1.314 -0.507 0.554 1.00 20.00 H
1342ATOM 1069 HE ARG B 101 1.304 -1.162 3.363 1.00 20.00 H
1343ATOM 1070 HH11 ARG B 101 2.538 -2.050 0.204 1.00 20.00 H
1344ATOM 1071 HH12 ARG B 101 3.901 -2.898 0.848 1.00 20.00 H
1345ATOM 1072 HH21 ARG B 101 3.098 -2.280 4.190 1.00 20.00 H
1346ATOM 1073 HH22 ARG B 101 4.219 -3.029 3.104 1.00 20.00 H
1347ATOM 1074 N ASN B 102 1.446 3.150 0.286 1.00 0.00 N
1348ATOM 1075 CA ASN B 102 1.670 3.500 -1.112 1.00 0.00 C
1349ATOM 1076 C ASN B 102 0.950 2.528 -2.041 1.00 0.00 C
1350ATOM 1077 O ASN B 102 1.016 1.312 -1.854 1.00 0.00 O
1351ATOM 1078 CB ASN B 102 3.168 3.508 -1.423 1.00 0.00 C
1352ATOM 1079 CG ASN B 102 3.846 4.785 -0.966 1.00 0.00 C
1353ATOM 1080 OD1 ASN B 102 3.913 5.766 -1.706 1.00 0.00 O
1354ATOM 1081 ND2 ASN B 102 4.355 4.778 0.262 1.00 0.00 N
1355ATOM 1082 H ASN B 102 2.206 2.858 0.833 1.00 20.00 H
1356ATOM 1083 HA ASN B 102 1.272 4.492 -1.271 1.00 20.00 H
1357ATOM 1084 HB2 ASN B 102 3.637 2.674 -0.924 1.00 20.00 H
1358ATOM 1085 HB3 ASN B 102 3.308 3.410 -2.490 1.00 20.00 H
1359ATOM 1086 HD21 ASN B 102 4.265 3.961 0.795 1.00 20.00 H
1360ATOM 1087 HD22 ASN B 102 4.800 5.590 0.582 1.00 20.00 H
1361ATOM 1088 N CYS B 103 0.263 3.070 -3.041 1.00 0.00 N
1362ATOM 1089 CA CYS B 103 -0.468 2.248 -3.999 1.00 0.00 C
1363ATOM 1090 C CYS B 103 0.459 1.735 -5.096 1.00 0.00 C
1364ATOM 1091 O CYS B 103 0.372 0.578 -5.505 1.00 0.00 O
1365ATOM 1092 CB CYS B 103 -1.614 3.049 -4.619 1.00 0.00 C
1366ATOM 1093 SG CYS B 103 -3.160 3.008 -3.652 1.00 0.00 S
1367ATOM 1094 H CYS B 103 0.249 4.045 -3.138 1.00 20.00 H
1368ATOM 1095 HA CYS B 103 -0.877 1.404 -3.466 1.00 20.00 H
1369ATOM 1096 HB2 CYS B 103 -1.315 4.081 -4.712 1.00 20.00 H
1370ATOM 1097 HB3 CYS B 103 -1.831 2.652 -5.600 1.00 20.00 H
1371ATOM 1098 N PHE B 104 1.348 2.605 -5.568 1.00 0.00 N
1372ATOM 1099 CA PHE B 104 2.290 2.238 -6.618 1.00 0.00 C
1373ATOM 1100 C PHE B 104 3.494 1.500 -6.035 1.00 0.00 C
1374ATOM 1101 O PHE B 104 4.600 2.040 -5.968 1.00 0.00 O
1375ATOM 1102 CB PHE B 104 2.747 3.486 -7.382 1.00 0.00 C
1376ATOM 1103 CG PHE B 104 1.663 4.125 -8.208 1.00 0.00 C
1377ATOM 1104 CD1 PHE B 104 0.799 3.349 -8.966 1.00 0.00 C
1378ATOM 1105 CD2 PHE B 104 1.512 5.501 -8.230 1.00 0.00 C
1379ATOM 1106 CE1 PHE B 104 -0.194 3.933 -9.728 1.00 0.00 C
1380ATOM 1107 CE2 PHE B 104 0.520 6.092 -8.990 1.00 0.00 C
1381ATOM 1108 CZ PHE B 104 -0.335 5.306 -9.740 1.00 0.00 C
1382ATOM 1109 H PHE B 104 1.369 3.514 -5.201 1.00 20.00 H
1383ATOM 1110 HA PHE B 104 1.781 1.579 -7.303 1.00 20.00 H
1384ATOM 1111 HB2 PHE B 104 3.100 4.222 -6.675 1.00 20.00 H
1385ATOM 1112 HB3 PHE B 104 3.557 3.216 -8.043 1.00 20.00 H
1386ATOM 1113 HD1 PHE B 104 0.905 2.275 -8.957 1.00 20.00 H
1387ATOM 1114 HD2 PHE B 104 2.179 6.117 -7.645 1.00 20.00 H
1388ATOM 1115 HE1 PHE B 104 -0.861 3.318 -10.312 1.00 20.00 H
1389ATOM 1116 HE2 PHE B 104 0.413 7.167 -8.997 1.00 20.00 H
1390ATOM 1117 HZ PHE B 104 -1.110 5.765 -10.335 1.00 20.00 H
1391ATOM 1118 N GLU B 105 3.268 0.259 -5.618 1.00 0.00 N
1392ATOM 1119 CA GLU B 105 4.327 -0.562 -5.040 1.00 0.00 C
1393ATOM 1120 C GLU B 105 4.441 -1.891 -5.780 1.00 0.00 C
1394ATOM 1121 O GLU B 105 5.540 -2.337 -6.114 1.00 0.00 O
1395ATOM 1122 CB GLU B 105 4.055 -0.815 -3.556 1.00 0.00 C
1396ATOM 1123 CG GLU B 105 5.309 -1.115 -2.751 1.00 0.00 C
1397ATOM 1124 CD GLU B 105 6.248 0.073 -2.671 1.00 0.00 C
1398ATOM 1125 OE1 GLU B 105 7.061 0.250 -3.602 1.00 0.00 O
1399ATOM 1126 OE2 GLU B 105 6.172 0.825 -1.676 1.00 0.00 O
1400ATOM 1127 H GLU B 105 2.366 -0.114 -5.698 1.00 20.00 H
1401ATOM 1128 HA GLU B 105 5.259 -0.026 -5.141 1.00 20.00 H
1402ATOM 1129 HB2 GLU B 105 3.583 0.061 -3.135 1.00 20.00 H
1403ATOM 1130 HB3 GLU B 105 3.383 -1.655 -3.463 1.00 20.00 H
1404ATOM 1131 HG2 GLU B 105 5.018 -1.392 -1.748 1.00 20.00 H
1405ATOM 1132 HG3 GLU B 105 5.830 -1.938 -3.215 1.00 20.00 H
1406ATOM 1133 N SER B 106 3.298 -2.518 -6.036 1.00 0.00 N
1407ATOM 1134 CA SER B 106 3.264 -3.795 -6.739 1.00 0.00 C
1408ATOM 1135 C SER B 106 2.032 -3.888 -7.634 1.00 0.00 C
1409ATOM 1136 O SER B 106 1.175 -3.004 -7.619 1.00 0.00 O
1410ATOM 1137 CB SER B 106 3.271 -4.953 -5.739 1.00 0.00 C
1411ATOM 1138 OG SER B 106 2.306 -4.754 -4.720 1.00 0.00 O
1412ATOM 1139 H SER B 106 2.455 -2.111 -5.746 1.00 20.00 H
1413ATOM 1140 HA SER B 106 4.149 -3.857 -7.355 1.00 20.00 H
1414ATOM 1141 HB2 SER B 106 3.044 -5.874 -6.257 1.00 20.00 H
1415ATOM 1142 HB3 SER B 106 4.247 -5.027 -5.284 1.00 20.00 H
1416ATOM 1143 HG SER B 106 2.750 -4.596 -3.885 1.00 20.00 H
1417ATOM 1144 N VAL B 107 1.948 -4.962 -8.411 1.00 0.00 N
1418ATOM 1145 CA VAL B 107 0.819 -5.167 -9.312 1.00 0.00 C
1419ATOM 1146 C VAL B 107 -0.465 -5.441 -8.531 1.00 0.00 C
1420ATOM 1147 O VAL B 107 -1.559 -5.099 -8.977 1.00 0.00 O
1421ATOM 1148 CB VAL B 107 1.088 -6.333 -10.287 1.00 0.00 C
1422ATOM 1149 CG1 VAL B 107 -0.029 -6.447 -11.317 1.00 0.00 C
1423ATOM 1150 CG2 VAL B 107 2.436 -6.151 -10.969 1.00 0.00 C
1424ATOM 1151 H VAL B 107 2.661 -5.634 -8.377 1.00 20.00 H
1425ATOM 1152 HA VAL B 107 0.689 -4.264 -9.890 1.00 20.00 H
1426ATOM 1153 HB VAL B 107 1.117 -7.252 -9.719 1.00 20.00 H
1427ATOM 1154 HG11 VAL B 107 -0.900 -5.918 -10.963 1.00 20.00 H
1428ATOM 1155 HG12 VAL B 107 0.298 -6.017 -12.253 1.00 20.00 H
1429ATOM 1156 HG13 VAL B 107 -0.275 -7.488 -11.465 1.00 20.00 H
1430ATOM 1157 HG21 VAL B 107 2.465 -5.188 -11.456 1.00 20.00 H
1431ATOM 1158 HG22 VAL B 107 3.224 -6.206 -10.233 1.00 20.00 H
1432ATOM 1159 HG23 VAL B 107 2.575 -6.930 -11.705 1.00 20.00 H
1433ATOM 1160 N ALA B 108 -0.322 -6.061 -7.363 1.00 0.00 N
1434ATOM 1161 CA ALA B 108 -1.470 -6.381 -6.522 1.00 0.00 C
1435ATOM 1162 C ALA B 108 -2.035 -5.130 -5.858 1.00 0.00 C
1436ATOM 1163 O ALA B 108 -3.251 -4.974 -5.738 1.00 0.00 O
1437ATOM 1164 CB ALA B 108 -1.080 -7.409 -5.471 1.00 0.00 C
1438ATOM 1165 H ALA B 108 0.576 -6.310 -7.061 1.00 20.00 H
1439ATOM 1166 HA ALA B 108 -2.232 -6.819 -7.152 1.00 20.00 H
1440ATOM 1167 HB1 ALA B 108 -0.711 -8.299 -5.956 1.00 20.00 H
1441ATOM 1168 HB2 ALA B 108 -0.309 -6.999 -4.835 1.00 20.00 H
1442ATOM 1169 HB3 ALA B 108 -1.945 -7.657 -4.872 1.00 20.00 H
1443ATOM 1170 N ALA B 109 -1.145 -4.244 -5.423 1.00 0.00 N
1444ATOM 1171 CA ALA B 109 -1.549 -3.006 -4.763 1.00 0.00 C
1445ATOM 1172 C ALA B 109 -2.482 -2.174 -5.639 1.00 0.00 C
1446ATOM 1173 O ALA B 109 -3.447 -1.586 -5.149 1.00 0.00 O
1447ATOM 1174 CB ALA B 109 -0.322 -2.191 -4.380 1.00 0.00 C
1448ATOM 1175 H ALA B 109 -0.190 -4.428 -5.545 1.00 20.00 H
1449ATOM 1176 HA ALA B 109 -2.069 -3.270 -3.853 1.00 20.00 H
1450ATOM 1177 HB1 ALA B 109 0.298 -2.043 -5.251 1.00 20.00 H
1451ATOM 1178 HB2 ALA B 109 -0.633 -1.232 -3.992 1.00 20.00 H
1452ATOM 1179 HB3 ALA B 109 0.239 -2.720 -3.623 1.00 20.00 H
1453ATOM 1180 N LEU B 110 -2.190 -2.123 -6.935 1.00 0.00 N
1454ATOM 1181 CA LEU B 110 -3.006 -1.357 -7.871 1.00 0.00 C
1455ATOM 1182 C LEU B 110 -4.449 -1.863 -7.881 1.00 0.00 C
1456ATOM 1183 O LEU B 110 -5.394 -1.075 -7.876 1.00 0.00 O
1457ATOM 1184 CB LEU B 110 -2.400 -1.420 -9.281 1.00 0.00 C
1458ATOM 1185 CG LEU B 110 -2.275 -0.068 -9.990 1.00 0.00 C
1459ATOM 1186 CD1 LEU B 110 -1.250 -0.141 -11.111 1.00 0.00 C
1460ATOM 1187 CD2 LEU B 110 -3.626 0.377 -10.531 1.00 0.00 C
1461ATOM 1188 H LEU B 110 -1.406 -2.609 -7.269 1.00 20.00 H
1462ATOM 1189 HA LEU B 110 -3.006 -0.329 -7.538 1.00 20.00 H
1463ATOM 1190 HB2 LEU B 110 -1.413 -1.851 -9.204 1.00 20.00 H
1464ATOM 1191 HB3 LEU B 110 -3.008 -2.067 -9.898 1.00 20.00 H
1465ATOM 1192 HG LEU B 110 -1.938 0.673 -9.279 1.00 20.00 H
1466ATOM 1193 HD11 LEU B 110 -0.579 -0.969 -10.934 1.00 20.00 H
1467ATOM 1194 HD12 LEU B 110 -1.758 -0.285 -12.054 1.00 20.00 H
1468ATOM 1195 HD13 LEU B 110 -0.685 0.778 -11.144 1.00 20.00 H
1469ATOM 1196 HD21 LEU B 110 -4.368 0.308 -9.750 1.00 20.00 H
1470ATOM 1197 HD22 LEU B 110 -3.557 1.399 -10.872 1.00 20.00 H
1471ATOM 1198 HD23 LEU B 110 -3.910 -0.259 -11.356 1.00 20.00 H
1472ATOM 1199 N ARG B 111 -4.606 -3.184 -7.896 1.00 0.00 N
1473ATOM 1200 CA ARG B 111 -5.931 -3.794 -7.907 1.00 0.00 C
1474ATOM 1201 C ARG B 111 -6.682 -3.488 -6.615 1.00 0.00 C
1475ATOM 1202 O ARG B 111 -7.824 -3.028 -6.643 1.00 0.00 O
1476ATOM 1203 CB ARG B 111 -5.815 -5.307 -8.096 1.00 0.00 C
1477ATOM 1204 CG ARG B 111 -5.596 -5.724 -9.541 1.00 0.00 C
1478ATOM 1205 CD ARG B 111 -5.879 -7.204 -9.743 1.00 0.00 C
1479ATOM 1206 NE ARG B 111 -4.768 -8.041 -9.290 1.00 0.00 N
1480ATOM 1207 CZ ARG B 111 -4.876 -9.342 -9.002 1.00 0.00 C
1481ATOM 1208 NH1 ARG B 111 -6.041 -9.972 -9.114 1.00 0.00 N
1482ATOM 1209 NH2 ARG B 111 -3.807 -10.015 -8.599 1.00 0.00 N
1483ATOM 1210 H ARG B 111 -3.814 -3.760 -7.900 1.00 20.00 H
1484ATOM 1211 HA ARG B 111 -6.481 -3.376 -8.738 1.00 20.00 H
1485ATOM 1212 HB2 ARG B 111 -4.985 -5.669 -7.508 1.00 20.00 H
1486ATOM 1213 HB3 ARG B 111 -6.725 -5.772 -7.745 1.00 20.00 H
1487ATOM 1214 HG2 ARG B 111 -6.255 -5.152 -10.176 1.00 20.00 H
1488ATOM 1215 HG3 ARG B 111 -4.568 -5.523 -9.811 1.00 20.00 H
1489ATOM 1216 HD2 ARG B 111 -6.766 -7.465 -9.186 1.00 20.00 H
1490ATOM 1217 HD3 ARG B 111 -6.049 -7.384 -10.794 1.00 20.00 H
1491ATOM 1218 HE ARG B 111 -3.893 -7.613 -9.195 1.00 20.00 H
1492ATOM 1219 HH11 ARG B 111 -6.854 -9.475 -9.416 1.00 20.00 H
1493ATOM 1220 HH12 ARG B 111 -6.104 -10.946 -8.895 1.00 20.00 H
1494ATOM 1221 HH21 ARG B 111 -2.925 -9.549 -8.512 1.00 20.00 H
1495ATOM 1222 HH22 ARG B 111 -3.882 -10.988 -8.382 1.00 20.00 H
1496ATOM 1223 N ARG B 112 -6.035 -3.748 -5.484 1.00 0.00 N
1497ATOM 1224 CA ARG B 112 -6.642 -3.500 -4.181 1.00 0.00 C
1498ATOM 1225 C ARG B 112 -7.005 -2.029 -4.015 1.00 0.00 C
1499ATOM 1226 O ARG B 112 -8.060 -1.696 -3.474 1.00 0.00 O
1500ATOM 1227 CB ARG B 112 -5.692 -3.932 -3.062 1.00 0.00 C
1501ATOM 1228 CG ARG B 112 -5.561 -5.440 -2.923 1.00 0.00 C
1502ATOM 1229 CD ARG B 112 -5.145 -5.834 -1.515 1.00 0.00 C
1503ATOM 1230 NE ARG B 112 -3.725 -5.579 -1.270 1.00 0.00 N
1504ATOM 1231 CZ ARG B 112 -3.163 -5.552 -0.058 1.00 0.00 C
1505ATOM 1232 NH1 ARG B 112 -3.889 -5.763 1.036 1.00 0.00 N
1506ATOM 1233 NH2 ARG B 112 -1.865 -5.310 0.059 1.00 0.00 N
1507ATOM 1234 H ARG B 112 -5.127 -4.113 -5.526 1.00 20.00 H
1508ATOM 1235 HA ARG B 112 -7.546 -4.091 -4.120 1.00 20.00 H
1509ATOM 1236 HB2 ARG B 112 -4.712 -3.524 -3.262 1.00 20.00 H
1510ATOM 1237 HB3 ARG B 112 -6.053 -3.536 -2.126 1.00 20.00 H
1511ATOM 1238 HG2 ARG B 112 -6.511 -5.897 -3.148 1.00 20.00 H
1512ATOM 1239 HG3 ARG B 112 -4.815 -5.793 -3.621 1.00 20.00 H
1513ATOM 1240 HD2 ARG B 112 -5.729 -5.266 -0.809 1.00 20.00 H
1514ATOM 1241 HD3 ARG B 112 -5.341 -6.888 -1.378 1.00 20.00 H
1515ATOM 1242 HE ARG B 112 -3.155 -5.418 -2.052 1.00 20.00 H
1516ATOM 1243 HH11 ARG B 112 -4.869 -5.945 0.962 1.00 20.00 H
1517ATOM 1244 HH12 ARG B 112 -3.454 -5.740 1.936 1.00 20.00 H
1518ATOM 1245 HH21 ARG B 112 -1.310 -5.151 -0.757 1.00 20.00 H
1519ATOM 1246 HH22 ARG B 112 -1.440 -5.288 0.964 1.00 20.00 H
1520ATOM 1247 N CYS B 113 -6.123 -1.150 -4.482 1.00 0.00 N
1521ATOM 1248 CA CYS B 113 -6.351 0.288 -4.384 1.00 0.00 C
1522ATOM 1249 C CYS B 113 -7.586 0.701 -5.180 1.00 0.00 C
1523ATOM 1250 O CYS B 113 -8.436 1.442 -4.684 1.00 0.00 O
1524ATOM 1251 CB CYS B 113 -5.126 1.055 -4.886 1.00 0.00 C
1525ATOM 1252 SG CYS B 113 -3.724 1.059 -3.723 1.00 0.00 S
1526ATOM 1253 H CYS B 113 -5.300 -1.476 -4.902 1.00 20.00 H
1527ATOM 1254 HA CYS B 113 -6.513 0.527 -3.344 1.00 20.00 H
1528ATOM 1255 HB2 CYS B 113 -4.786 0.609 -5.808 1.00 20.00 H
1529ATOM 1256 HB3 CYS B 113 -5.406 2.081 -5.069 1.00 20.00 H
1530ATOM 1257 N MET B 114 -7.678 0.218 -6.414 1.00 0.00 N
1531ATOM 1258 CA MET B 114 -8.808 0.539 -7.278 1.00 0.00 C
1532ATOM 1259 C MET B 114 -10.070 -0.190 -6.822 1.00 0.00 C
1533ATOM 1260 O MET B 114 -11.117 0.426 -6.628 1.00 0.00 O
1534ATOM 1261 CB MET B 114 -8.491 0.170 -8.729 1.00 0.00 C
1535ATOM 1262 CG MET B 114 -9.444 0.791 -9.736 1.00 0.00 C
1536ATOM 1263 SD MET B 114 -9.186 0.169 -11.408 1.00 0.00 S
1537ATOM 1264 CE MET B 114 -10.336 -1.204 -11.441 1.00 0.00 C
1538ATOM 1265 H MET B 114 -6.968 -0.368 -6.753 1.00 20.00 H
1539ATOM 1266 HA MET B 114 -8.981 1.604 -7.216 1.00 20.00 H
1540ATOM 1267 HB2 MET B 114 -7.490 0.502 -8.961 1.00 20.00 H
1541ATOM 1268 HB3 MET B 114 -8.538 -0.903 -8.833 1.00 20.00 H
1542ATOM 1269 HG2 MET B 114 -10.457 0.567 -9.437 1.00 20.00 H
1543ATOM 1270 HG3 MET B 114 -9.299 1.860 -9.738 1.00 20.00 H
1544ATOM 1271 HE1 MET B 114 -10.304 -1.723 -10.494 1.00 20.00 H
1545ATOM 1272 HE2 MET B 114 -11.335 -0.833 -11.615 1.00 20.00 H
1546ATOM 1273 HE3 MET B 114 -10.061 -1.885 -12.233 1.00 20.00 H
1547ATOM 1274 N TYR B 115 -9.960 -1.503 -6.656 1.00 0.00 N
1548ATOM 1275 CA TYR B 115 -11.091 -2.316 -6.225 1.00 0.00 C
1549ATOM 1276 C TYR B 115 -11.392 -2.089 -4.743 1.00 0.00 C
1550ATOM 1277 O TYR B 115 -11.149 -2.958 -3.904 1.00 0.00 O
1551ATOM 1278 CB TYR B 115 -10.810 -3.799 -6.490 1.00 0.00 C
1552ATOM 1279 CG TYR B 115 -10.993 -4.200 -7.937 1.00 0.00 C
1553ATOM 1280 CD1 TYR B 115 -12.260 -4.437 -8.457 1.00 0.00 C
1554ATOM 1281 CD2 TYR B 115 -9.899 -4.344 -8.781 1.00 0.00 C
1555ATOM 1282 CE1 TYR B 115 -12.431 -4.803 -9.778 1.00 0.00 C
1556ATOM 1283 CE2 TYR B 115 -10.063 -4.710 -10.105 1.00 0.00 C
1557ATOM 1284 CZ TYR B 115 -11.330 -4.939 -10.597 1.00 0.00 C
1558ATOM 1285 OH TYR B 115 -11.498 -5.304 -11.913 1.00 0.00 O
1559ATOM 1286 H TYR B 115 -9.099 -1.937 -6.828 1.00 20.00 H
1560ATOM 1287 HA TYR B 115 -11.951 -2.015 -6.802 1.00 20.00 H
1561ATOM 1288 HB2 TYR B 115 -9.792 -4.020 -6.211 1.00 20.00 H
1562ATOM 1289 HB3 TYR B 115 -11.480 -4.397 -5.891 1.00 20.00 H
1563ATOM 1290 HD1 TYR B 115 -13.120 -4.329 -7.812 1.00 20.00 H
1564ATOM 1291 HD2 TYR B 115 -8.908 -4.163 -8.393 1.00 20.00 H
1565ATOM 1292 HE1 TYR B 115 -13.424 -4.983 -10.163 1.00 20.00 H
1566ATOM 1293 HE2 TYR B 115 -9.201 -4.815 -10.747 1.00 20.00 H
1567ATOM 1294 HH TYR B 115 -11.979 -4.617 -12.378 1.00 20.00 H
1568ATOM 1295 N GLY B 116 -11.923 -0.912 -4.429 1.00 0.00 N
1569ATOM 1296 CA GLY B 116 -12.248 -0.587 -3.054 1.00 0.00 C
1570ATOM 1297 C GLY B 116 -13.433 0.354 -2.943 1.00 0.00 C
1571ATOM 1298 O GLY B 116 -14.355 0.247 -3.778 1.00 20.00 O
1572ATOM 1299 OXT GLY B 116 -13.436 1.198 -2.023 1.00 20.00 O
1573ATOM 1300 H GLY B 116 -12.094 -0.257 -5.139 1.00 20.00 H
1574ATOM 1301 HA2 GLY B 116 -12.478 -1.500 -2.525 1.00 20.00 H
1575ATOM 1302 HA3 GLY B 116 -11.390 -0.123 -2.592 1.00 20.00 H
1576TER 1303 GLY B 116
1577END