1 HEADER IRON-SULFUR PROTEIN 19-MAR-98 1A70
2 TITLE SPINACH FERREDOXIN
4 COMPND 2 MOLECULE: FERREDOXIN;
6 COMPND 4 ENGINEERED: YES;
9 SOURCE 2 ORGANISM_SCIENTIFIC: SPINACIA OLERACEA;
10 SOURCE 3 ORGANISM_COMMON: SPINACH;
11 SOURCE 4 ORGANISM_TAXID: 3562;
12 SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
13 SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
14 KEYWDS IRON-SULFUR PROTEIN, PHOTOSYNTHESIS, ELECTRON TRANSPORT
15 EXPDTA X-RAY DIFFRACTION
16 AUTHOR C.BINDA,A.CODA,A.MATTEVI,A.ALIVERTI,G.ZANETTI
17 REVDAT 3 24-FEB-09 1A70 1 VERSN
18 REVDAT 2 13-JAN-99 1A70 3 ATOM SOURCE COMPND REMARK
19 REVDAT 2 2 3 HETATM JRNL KEYWDS TER
21 REVDAT 1 25-NOV-98 1A70 0
22 JRNL AUTH C.BINDA,A.CODA,A.ALIVERTI,G.ZANETTI,A.MATTEVI
23 JRNL TITL STRUCTURE OF THE MUTANT E92K OF [2FE-2S]
24 JRNL TITL 2 FERREDOXIN I FROM SPINACIA OLERACEA AT 1.7 A
25 JRNL TITL 3 RESOLUTION.
26 JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 54 1353 1998
27 JRNL REFN ISSN 0907-4449
29 JRNL DOI 10.1107/S0907444998005137
32 REMARK 2 RESOLUTION. 1.70 ANGSTROMS.
35 REMARK 3 PROGRAM : TNT V. 5-D
36 REMARK 3 AUTHORS : TRONRUD,TEN EYCK,MATTHEWS
38 REMARK 3 DATA USED IN REFINEMENT.
39 REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70
40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 100.00
41 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
42 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.6
43 REMARK 3 NUMBER OF REFLECTIONS : 11755
45 REMARK 3 USING DATA ABOVE SIGMA CUTOFF.
46 REMARK 3 CROSS-VALIDATION METHOD : A POSTERIORI
47 REMARK 3 FREE R VALUE TEST SET SELECTION : EVERY 10TH REFLECTION
48 REMARK 3 R VALUE (WORKING + TEST SET) : 0.190
49 REMARK 3 R VALUE (WORKING SET) : 0.182
50 REMARK 3 FREE R VALUE : 0.200
51 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000
52 REMARK 3 FREE R VALUE TEST SET COUNT : 1090
54 REMARK 3 USING ALL DATA, NO SIGMA CUTOFF.
55 REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.2010
56 REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.1960
57 REMARK 3 FREE R VALUE (NO CUTOFF) : 0.259
58 REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 10.00
59 REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 1176
60 REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 11755
62 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
63 REMARK 3 PROTEIN ATOMS : 732
64 REMARK 3 NUCLEIC ACID ATOMS : 0
65 REMARK 3 HETEROGEN ATOMS : 4
66 REMARK 3 SOLVENT ATOMS : 81
68 REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : 5.100
70 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT
71 REMARK 3 BOND LENGTHS (A) : 0.019 ; 70.000; 620
72 REMARK 3 BOND ANGLES (DEGREES) : 2.994 ; 90.000; 855
73 REMARK 3 TORSION ANGLES (DEGREES) : 18.500; 0.000 ; 300
74 REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL
75 REMARK 3 TRIGONAL CARBON PLANES (A) : 0.021 ; 70.000; 13
76 REMARK 3 GENERAL PLANES (A) : 0.021 ; 240.000; 94
77 REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : 4.300 ; 2.100 ; 620
78 REMARK 3 NON-BONDED CONTACTS (A) : 0.039 ; 125.000; 9
80 REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL
82 REMARK 3 BULK SOLVENT MODELING.
83 REMARK 3 METHOD USED : BABINET SCALING
85 REMARK 3 BSOL : 150.00
87 REMARK 3 RESTRAINT LIBRARIES.
88 REMARK 3 STEREOCHEMISTRY : TNT PROTGEO
89 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : TNT BCORREL V1.0
91 REMARK 3 OTHER REFINEMENT REMARKS: NULL
93 REMARK 4 1A70 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
95 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
97 REMARK 200 EXPERIMENTAL DETAILS
98 REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
99 REMARK 200 DATE OF DATA COLLECTION : JUN-96
100 REMARK 200 TEMPERATURE (KELVIN) : 293
102 REMARK 200 NUMBER OF CRYSTALS USED : 1
104 REMARK 200 SYNCHROTRON (Y/N) : N
105 REMARK 200 RADIATION SOURCE : ROTATING ANODE
106 REMARK 200 BEAMLINE : NULL
107 REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R
108 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
109 REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418
110 REMARK 200 MONOCHROMATOR : GRAPHITE(002)
111 REMARK 200 OPTICS : MIRRORS
113 REMARK 200 DETECTOR TYPE : IMAGE PLATE
114 REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH
115 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM
116 REMARK 200 DATA SCALING SOFTWARE : AGROVATA
118 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11755
119 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700
120 REMARK 200 RESOLUTION RANGE LOW (A) : NULL
121 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000
124 REMARK 200 COMPLETENESS FOR RANGE (%) : 97.6
125 REMARK 200 DATA REDUNDANCY : 2.500
126 REMARK 200 R MERGE (I) : 0.07800
127 REMARK 200 R SYM (I) : 0.11200
128 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 10.0000
130 REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
131 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70
132 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.80
133 REMARK 200 COMPLETENESS FOR SHELL (%) : 68.0
134 REMARK 200 DATA REDUNDANCY IN SHELL : 2.50
135 REMARK 200 R MERGE FOR SHELL (I) : 0.20200
136 REMARK 200 R SYM FOR SHELL (I) : 0.30500
137 REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.000
139 REMARK 200 DIFFRACTION PROTOCOL: NULL
140 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
141 REMARK 200 SOFTWARE USED: AMORE
142 REMARK 200 STARTING MODEL: PDB ENTRY 1FRR
144 REMARK 200 REMARK: NULL
147 REMARK 280 SOLVENT CONTENT, VS (%): 50.00
148 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.50
150 REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN WAS CRYSTALLIZED FROM 2.6M
151 REMARK 280 AMMONIUM SULPHATE IN 50MM PHOSPHATE BUFFER, PH 7.5
153 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
154 REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21
156 REMARK 290 SYMOP SYMMETRY
157 REMARK 290 NNNMMM OPERATOR
158 REMARK 290 1555 X,Y,Z
159 REMARK 290 2555 -X+1/2,-Y,Z+1/2
160 REMARK 290 3555 -X,Y+1/2,-Z+1/2
161 REMARK 290 4555 X+1/2,-Y+1/2,-Z
163 REMARK 290 WHERE NNN -> OPERATOR NUMBER
164 REMARK 290 MMM -> TRANSLATION VECTOR
166 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
167 REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
168 REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
169 REMARK 290 RELATED MOLECULES.
170 REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
171 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
172 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
173 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 15.50000
174 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
175 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 41.76000
176 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000
177 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 19.59000
178 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 41.76000
179 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 15.50000
180 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 19.59000
181 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
183 REMARK 290 REMARK: NULL
185 REMARK 300 BIOMOLECULE: 1
186 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
187 REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
188 REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
189 REMARK 300 BURIED SURFACE AREA.
191 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
192 REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
193 REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
194 REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
195 REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
197 REMARK 350 BIOMOLECULE: 1
198 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
199 REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
200 REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
201 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
202 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
204 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
205 REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
207 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
208 REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
209 REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
210 REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
212 REMARK 500 STANDARD TABLE:
213 REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
215 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
216 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
218 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
219 REMARK 500 ASP A 20 CB - CG - OD2 ANGL. DEV. = -6.8 DEGREES
220 REMARK 500 ASP A 34 CB - CG - OD1 ANGL. DEV. = 6.1 DEGREES
221 REMARK 500 ASP A 34 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES
222 REMARK 500 ARG A 40 NE - CZ - NH2 ANGL. DEV. = -4.7 DEGREES
223 REMARK 500 ASP A 59 CB - CG - OD2 ANGL. DEV. = -5.6 DEGREES
224 REMARK 500 ASP A 65 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES
225 REMARK 500 ASP A 84 CB - CG - OD1 ANGL. DEV. = 12.2 DEGREES
226 REMARK 500 ASP A 84 CB - CG - OD2 ANGL. DEV. = -14.6 DEGREES
228 REMARK 500 REMARK: NULL
230 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
231 REMARK 500 SUBTOPIC: TORSION ANGLES
233 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
234 REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
235 REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
237 REMARK 500 STANDARD TABLE:
238 REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
240 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
241 REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
243 REMARK 500 M RES CSSEQI PSI PHI
244 REMARK 500 SER A 38 -77.42 -141.70
246 REMARK 500 REMARK: NULL
248 REMARK 500 GEOMETRY AND STEREOCHEMISTRY
249 REMARK 500 SUBTOPIC: CHIRAL CENTERS
251 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL
252 REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY
253 REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
254 REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE
256 REMARK 500 STANDARD TABLE:
257 REMARK 500 FORMAT: (11X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16)
259 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS
260 REMARK 500 ALA A 1 115.2 ALPHA-CARBON
262 REMARK 500 REMARK: NULL
266 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT
267 REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST
268 REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT
269 REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE
270 REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;
271 REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
272 REMARK 525 NUMBER; I=INSERTION CODE):
274 REMARK 525 M RES CSSEQI
275 REMARK 525 HOH A1653 DISTANCE = 5.18 ANGSTROMS
276 REMARK 525 HOH A1666 DISTANCE = 5.57 ANGSTROMS
277 REMARK 525 HOH A1680 DISTANCE = 8.72 ANGSTROMS
280 REMARK 800 SITE_IDENTIFIER: AC1
281 REMARK 800 EVIDENCE_CODE: SOFTWARE
282 REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE FES A 1602
283 DBREF 1A70 A 1 97 UNP P00221 FER1_SPIOL 51 147
284 SEQADV 1A70 LYS A 92 UNP P00221 GLU 142 ENGINEERED
285 SEQRES 1 A 97 ALA ALA TYR LYS VAL THR LEU VAL THR PRO THR GLY ASN
286 SEQRES 2 A 97 VAL GLU PHE GLN CYS PRO ASP ASP VAL TYR ILE LEU ASP
287 SEQRES 3 A 97 ALA ALA GLU GLU GLU GLY ILE ASP LEU PRO TYR SER CYS
288 SEQRES 4 A 97 ARG ALA GLY SER CYS SER SER CYS ALA GLY LYS LEU LYS
289 SEQRES 5 A 97 THR GLY SER LEU ASN GLN ASP ASP GLN SER PHE LEU ASP
290 SEQRES 6 A 97 ASP ASP GLN ILE ASP GLU GLY TRP VAL LEU THR CYS ALA
291 SEQRES 7 A 97 ALA TYR PRO VAL SER ASP VAL THR ILE GLU THR HIS LYS
292 SEQRES 8 A 97 LYS GLU GLU LEU THR ALA
294 HETNAM FES FE2/S2 (INORGANIC) CLUSTER
296 FORMUL 3 HOH *81(H2 O)
297 HELIX 1 1 ILE A 24 GLU A 30 1 7
298 HELIX 2 2 ASP A 66 GLU A 71 1 6
299 HELIX 3 3 THR A 76 ALA A 78 5 3
300 HELIX 4 4 LYS A 92 GLU A 94 5 3
301 SHEET 1 A 5 GLY A 12 PRO A 19 0
302 SHEET 2 A 5 ALA A 2 THR A 9 -1 N THR A 9 O GLY A 12
303 SHEET 3 A 5 VAL A 85 GLU A 88 1 N VAL A 85 O THR A 6
304 SHEET 4 A 5 ALA A 48 THR A 53 -1 N THR A 53 O THR A 86
305 SHEET 5 A 5 TRP A 73 LEU A 75 -1 N VAL A 74 O GLY A 49
306 LINK FE1 FES A1602 SG CYS A 39 1555 1555 2.32
307 LINK FE1 FES A1602 SG CYS A 44 1555 1555 2.28
308 LINK FE2 FES A1602 SG CYS A 47 1555 1555 2.36
309 LINK FE2 FES A1602 SG CYS A 77 1555 1555 2.27
310 SITE 1 AC1 8 SER A 38 CYS A 39 ARG A 40 GLY A 42
311 SITE 2 AC1 8 SER A 43 CYS A 44 CYS A 47 CYS A 77
312 CRYST1 31.000 39.180 83.520 90.00 90.00 90.00 P 21 21 21 4
313 ORIGX1 1.000000 0.000000 0.000000 0.00000
314 ORIGX2 0.000000 1.000000 0.000000 0.00000
315 ORIGX3 0.000000 0.000000 1.000000 0.00000
316 SCALE1 0.032258 0.000000 0.000000 0.00000
317 SCALE2 0.000000 0.025523 0.000000 0.00000
318 SCALE3 0.000000 0.000000 0.011973 0.00000
319 ATOM 1 N ALA A 1 1.578 -4.284 5.235 1.00 64.26 N
320 ATOM 2 CA ALA A 1 2.384 -5.448 5.549 1.00 56.75 C
321 ATOM 3 C ALA A 1 3.756 -4.955 5.925 1.00 52.65 C
322 ATOM 4 O ALA A 1 3.885 -4.610 7.073 1.00 48.15 O
323 ATOM 5 CB ALA A 1 1.801 -6.118 6.780 1.00 57.60 C
324 ATOM 6 N ALA A 2 4.702 -4.829 4.989 1.00 44.72 N
325 ATOM 7 CA ALA A 2 6.033 -4.319 5.297 1.00 39.74 C
326 ATOM 8 C ALA A 2 6.471 -3.432 4.151 1.00 38.97 C
327 ATOM 9 O ALA A 2 6.000 -3.558 3.005 1.00 35.65 O
328 ATOM 10 CB ALA A 2 6.977 -5.471 5.509 1.00 39.07 C
329 ATOM 11 N TYR A 3 7.381 -2.517 4.408 1.00 35.77 N
330 ATOM 12 CA TYR A 3 7.706 -1.626 3.320 1.00 34.41 C
331 ATOM 13 C TYR A 3 9.186 -1.384 3.280 1.00 33.59 C
332 ATOM 14 O TYR A 3 9.923 -1.779 4.188 1.00 31.95 O
333 ATOM 15 CB TYR A 3 6.953 -0.249 3.319 1.00 39.83 C
334 ATOM 16 CG TYR A 3 5.433 -0.309 3.472 1.00 45.38 C
335 ATOM 17 CD1 TYR A 3 4.627 -0.464 2.343 1.00 44.25 C
336 ATOM 18 CD2 TYR A 3 4.849 -0.181 4.741 1.00 42.82 C
337 ATOM 19 CE1 TYR A 3 3.235 -0.498 2.478 1.00 44.87 C
338 ATOM 20 CE2 TYR A 3 3.455 -0.215 4.877 1.00 31.11 C
339 ATOM 21 CZ TYR A 3 2.650 -0.374 3.744 1.00 36.82 C
340 ATOM 22 OH TYR A 3 1.297 -0.407 3.867 1.00 45.94 O
341 ATOM 23 N LYS A 4 9.588 -0.749 2.216 1.00 25.97 N
342 ATOM 24 CA LYS A 4 10.996 -0.492 1.999 1.00 26.02 C
343 ATOM 25 C LYS A 4 11.389 0.887 2.512 1.00 27.15 C
344 ATOM 26 O LYS A 4 10.856 1.920 2.077 1.00 29.78 O
345 ATOM 27 CB LYS A 4 11.330 -0.599 0.521 1.00 28.74 C
346 ATOM 28 CG LYS A 4 12.767 -0.182 0.231 1.00 41.18 C
347 ATOM 29 CD LYS A 4 13.579 -1.258 -0.483 1.00 65.99 C
348 ATOM 30 CE LYS A 4 13.898 -2.462 0.403 1.00 71.21 C
349 ATOM 31 NZ LYS A 4 15.116 -3.169 -0.011 1.00100.00 N
350 ATOM 32 N VAL A 5 12.331 0.863 3.439 1.00 25.81 N
351 ATOM 33 CA VAL A 5 12.856 2.091 4.022 1.00 21.97 C
352 ATOM 34 C VAL A 5 14.205 2.397 3.480 1.00 24.32 C
353 ATOM 35 O VAL A 5 15.049 1.515 3.638 1.00 28.20 O
354 ATOM 36 CB VAL A 5 12.952 2.019 5.546 1.00 26.13 C
355 ATOM 37 CG1 VAL A 5 13.589 3.279 6.154 1.00 24.03 C
356 ATOM 38 CG2 VAL A 5 11.587 1.886 6.220 1.00 28.00 C
357 ATOM 39 N THR A 6 14.446 3.585 2.881 1.00 23.42 N
358 ATOM 40 CA THR A 6 15.819 3.958 2.510 1.00 22.77 C
359 ATOM 41 C THR A 6 16.295 5.055 3.506 1.00 27.61 C
360 ATOM 42 O THR A 6 15.661 6.102 3.654 1.00 28.00 O
361 ATOM 43 CB THR A 6 15.821 4.529 1.094 1.00 26.23 C
362 ATOM 44 OG1 THR A 6 15.370 3.515 0.217 1.00 27.15 O
363 ATOM 45 CG2 THR A 6 17.230 4.964 0.813 1.00 27.17 C
364 ATOM 46 N LEU A 7 17.379 4.897 4.238 1.00 20.82 N
365 ATOM 47 CA LEU A 7 17.815 5.979 5.096 1.00 18.17 C
366 ATOM 48 C LEU A 7 19.102 6.537 4.478 1.00 26.80 C
367 ATOM 49 O LEU A 7 20.054 5.815 4.166 1.00 31.28 O
368 ATOM 50 CB LEU A 7 18.204 5.474 6.533 1.00 24.27 C
369 ATOM 51 CG LEU A 7 17.064 4.808 7.373 1.00 25.99 C
370 ATOM 52 CD1 LEU A 7 17.597 4.132 8.670 1.00 28.24 C
371 ATOM 53 CD2 LEU A 7 15.847 5.760 7.582 1.00 23.18 C
372 ATOM 54 N VAL A 8 19.178 7.825 4.390 1.00 24.64 N
373 ATOM 55 CA VAL A 8 20.351 8.582 3.937 1.00 24.53 C
374 ATOM 56 C VAL A 8 21.067 9.037 5.189 1.00 25.60 C
375 ATOM 57 O VAL A 8 20.609 10.034 5.788 1.00 24.85 O
376 ATOM 58 CB VAL A 8 19.949 9.817 3.074 1.00 26.13 C
377 ATOM 59 CG1 VAL A 8 21.154 10.667 2.669 1.00 26.51 C
378 ATOM 60 CG2 VAL A 8 19.153 9.301 1.862 1.00 23.87 C
379 ATOM 61 N THR A 9 22.132 8.282 5.580 1.00 23.15 N
380 ATOM 62 CA THR A 9 22.863 8.664 6.790 1.00 23.40 C
381 ATOM 63 C THR A 9 24.173 9.314 6.438 1.00 33.13 C
382 ATOM 64 O THR A 9 24.654 9.241 5.303 1.00 31.04 O
383 ATOM 65 CB THR A 9 23.218 7.469 7.641 1.00 29.07 C
384 ATOM 66 OG1 THR A 9 24.437 6.916 7.123 1.00 34.25 O
385 ATOM 67 CG2 THR A 9 22.097 6.424 7.576 1.00 23.85 C
386 ATOM 68 N PRO A 10 24.773 9.907 7.443 1.00 32.74 N
387 ATOM 69 CA PRO A 10 26.012 10.626 7.192 1.00 40.21 C
388 ATOM 70 C PRO A 10 27.145 9.843 6.552 1.00 39.02 C
389 ATOM 71 O PRO A 10 27.994 10.367 5.811 1.00 40.41 O
390 ATOM 72 CB PRO A 10 26.365 11.354 8.512 1.00 40.85 C
391 ATOM 73 CG PRO A 10 25.100 11.360 9.383 1.00 38.81 C
392 ATOM 74 CD PRO A 10 24.169 10.310 8.772 1.00 29.25 C
393 ATOM 75 N THR A 11 27.149 8.583 6.860 1.00 29.69 N
394 ATOM 76 CA THR A 11 28.191 7.741 6.370 1.00 31.68 C
395 ATOM 77 C THR A 11 27.680 6.836 5.253 1.00 40.26 C
396 ATOM 78 O THR A 11 28.315 5.815 4.937 1.00 32.78 O
397 ATOM 79 CB THR A 11 28.745 6.892 7.546 1.00 35.16 C
398 ATOM 80 OG1 THR A 11 27.737 6.011 8.077 1.00 41.86 O
399 ATOM 81 CG2 THR A 11 29.280 7.785 8.637 1.00 34.63 C
400 ATOM 82 N GLY A 12 26.479 7.095 4.715 1.00 29.29 N
401 ATOM 83 CA GLY A 12 26.019 6.151 3.680 1.00 27.67 C
402 ATOM 84 C GLY A 12 24.548 5.765 3.657 1.00 31.61 C
403 ATOM 85 O GLY A 12 23.861 5.746 4.657 1.00 27.16 O
404 ATOM 86 N ASN A 13 24.028 5.411 2.492 1.00 27.49 N
405 ATOM 87 CA ASN A 13 22.641 4.967 2.352 1.00 28.15 C
406 ATOM 88 C ASN A 13 22.472 3.508 2.820 1.00 34.35 C
407 ATOM 89 O ASN A 13 23.261 2.592 2.523 1.00 34.29 O
408 ATOM 90 CB ASN A 13 22.229 5.041 0.859 1.00 22.27 C
409 ATOM 91 CG ASN A 13 22.215 6.448 0.279 1.00 28.56 C
410 ATOM 92 OD1 ASN A 13 22.151 7.484 0.966 1.00 29.38 O
411 ATOM 93 ND2 ASN A 13 22.260 6.532 -1.054 1.00 29.02 N
412 ATOM 94 N VAL A 14 21.376 3.154 3.448 1.00 24.93 N
413 ATOM 95 CA VAL A 14 21.199 1.768 3.845 1.00 24.17 C
414 ATOM 96 C VAL A 14 19.689 1.494 3.624 1.00 35.26 C
415 ATOM 97 O VAL A 14 18.847 2.366 3.880 1.00 34.14 O
416 ATOM 98 CB VAL A 14 21.457 1.553 5.350 1.00 35.72 C
417 ATOM 99 CG1 VAL A 14 22.781 2.158 5.819 1.00 45.19 C
418 ATOM 100 CG2 VAL A 14 20.379 2.191 6.228 1.00 37.45 C
419 ATOM 101 N GLU A 15 19.318 0.319 3.133 1.00 25.56 N
420 ATOM 102 CA GLU A 15 17.873 -0.022 2.949 1.00 24.81 C
421 ATOM 103 C GLU A 15 17.513 -1.257 3.780 1.00 28.51 C
422 ATOM 104 O GLU A 15 18.367 -2.054 4.152 1.00 39.92 O
423 ATOM 105 CB GLU A 15 17.528 -0.396 1.499 1.00 26.55 C
424 ATOM 106 CG GLU A 15 18.058 0.554 0.428 1.00 76.87 C
425 ATOM 107 CD GLU A 15 17.768 0.033 -0.987 1.00100.00 C
426 ATOM 108 OE1 GLU A 15 17.197 -1.116 -1.149 1.00 68.35 O
427 ATOM 109 OE2 GLU A 15 18.097 0.737 -2.014 1.00100.00 O
428 ATOM 110 N PHE A 16 16.247 -1.431 4.065 1.00 26.52 N
429 ATOM 111 CA PHE A 16 15.777 -2.608 4.823 1.00 28.30 C
430 ATOM 112 C PHE A 16 14.244 -2.584 4.803 1.00 33.00 C
431 ATOM 113 O PHE A 16 13.635 -1.520 4.649 1.00 30.39 O
432 ATOM 114 CB PHE A 16 16.306 -2.569 6.266 1.00 32.53 C
433 ATOM 115 CG PHE A 16 15.886 -1.332 7.078 1.00 25.02 C
434 ATOM 116 CD1 PHE A 16 14.640 -1.297 7.723 1.00 32.70 C
435 ATOM 117 CD2 PHE A 16 16.753 -0.235 7.192 1.00 28.27 C
436 ATOM 118 CE1 PHE A 16 14.269 -0.176 8.481 1.00 33.73 C
437 ATOM 119 CE2 PHE A 16 16.383 0.883 7.952 1.00 30.83 C
438 ATOM 120 CZ PHE A 16 15.142 0.913 8.597 1.00 28.38 C
439 ATOM 121 N GLN A 17 13.645 -3.759 4.941 1.00 35.55 N
440 ATOM 122 CA GLN A 17 12.164 -3.892 4.941 1.00 33.09 C
441 ATOM 123 C GLN A 17 11.622 -3.664 6.368 1.00 36.52 C
442 ATOM 124 O GLN A 17 12.161 -4.187 7.348 1.00 34.16 O
443 ATOM 125 CB GLN A 17 11.745 -5.297 4.473 1.00 40.84 C
444 ATOM 126 CG GLN A 17 12.118 -5.610 3.015 1.00 75.19 C
445 ATOM 127 CD GLN A 17 11.176 -5.056 1.937 1.00100.00 C
446 ATOM 128 OE1 GLN A 17 10.033 -5.500 1.819 1.00 91.53 O
447 ATOM 129 NE2 GLN A 17 11.600 -4.099 1.131 1.00 56.40 N
448 ATOM 130 N CYS A 18 10.541 -2.882 6.483 1.00 32.45 N
449 ATOM 131 CA CYS A 18 9.949 -2.554 7.813 1.00 34.72 C
450 ATOM 132 C CYS A 18 8.464 -2.778 7.839 1.00 34.29 C
451 ATOM 133 O CYS A 18 7.700 -2.208 7.075 1.00 31.05 O
452 ATOM 134 CB CYS A 18 10.249 -1.090 8.161 1.00 29.02 C
453 ATOM 135 SG CYS A 18 9.658 -0.587 9.853 1.00 28.94 S
454 ATOM 136 N PRO A 19 8.085 -3.629 8.787 1.00 33.32 N
455 ATOM 137 CA PRO A 19 6.690 -3.963 9.026 1.00 32.10 C
456 ATOM 138 C PRO A 19 6.006 -2.702 9.499 1.00 40.78 C
457 ATOM 139 O PRO A 19 6.592 -1.893 10.222 1.00 36.47 O
458 ATOM 140 CB PRO A 19 6.661 -5.023 10.134 1.00 34.58 C
459 ATOM 141 CG PRO A 19 8.108 -5.439 10.360 1.00 38.47 C
460 ATOM 142 CD PRO A 19 9.005 -4.461 9.587 1.00 36.38 C
461 ATOM 143 N ASP A 20 4.761 -2.545 9.044 1.00 34.47 N
462 ATOM 144 CA ASP A 20 3.939 -1.390 9.316 1.00 33.10 C
463 ATOM 145 C ASP A 20 3.594 -1.249 10.782 1.00 37.33 C
464 ATOM 146 O ASP A 20 3.007 -0.234 11.167 1.00 33.51 O
465 ATOM 147 CB ASP A 20 2.776 -1.182 8.329 1.00 44.18 C
466 ATOM 148 CG ASP A 20 1.663 -2.172 8.473 1.00 58.88 C
467 ATOM 149 OD1 ASP A 20 1.737 -3.155 9.206 1.00 56.81 O
468 ATOM 150 OD2 ASP A 20 0.598 -1.806 7.784 1.00 79.64 O
469 ATOM 151 N ASP A 21 3.977 -2.293 11.543 1.00 35.64 N
470 ATOM 152 CA ASP A 21 3.728 -2.237 12.962 1.00 40.82 C
471 ATOM 153 C ASP A 21 4.983 -2.105 13.764 1.00 45.13 C
472 ATOM 154 O ASP A 21 4.965 -2.495 14.923 1.00 45.86 O
473 ATOM 155 CB ASP A 21 2.706 -3.233 13.568 1.00 39.20 C
474 ATOM 156 CG ASP A 21 3.075 -4.710 13.573 1.00 64.17 C
475 ATOM 157 OD1 ASP A 21 4.036 -5.157 12.965 1.00 61.46 O
476 ATOM 158 OD2 ASP A 21 2.230 -5.476 14.256 1.00 79.00 O
477 ATOM 159 N VAL A 22 6.067 -1.601 13.191 1.00 30.02 N
478 ATOM 160 CA VAL A 22 7.303 -1.467 13.989 1.00 23.17 C
479 ATOM 161 C VAL A 22 7.875 -0.083 13.703 1.00 37.42 C
480 ATOM 162 O VAL A 22 7.841 0.425 12.545 1.00 29.14 O
481 ATOM 163 CB VAL A 22 8.279 -2.554 13.524 1.00 35.95 C
482 ATOM 164 CG1 VAL A 22 9.671 -2.333 14.072 1.00 33.42 C
483 ATOM 165 CG2 VAL A 22 7.790 -3.977 13.845 1.00 40.60 C
484 ATOM 166 N TYR A 23 8.319 0.603 14.747 1.00 31.07 N
485 ATOM 167 CA TYR A 23 8.868 1.922 14.526 1.00 23.20 C
486 ATOM 168 C TYR A 23 10.146 1.813 13.697 1.00 20.53 C
487 ATOM 169 O TYR A 23 10.967 0.886 13.815 1.00 22.64 O
488 ATOM 170 CB TYR A 23 9.207 2.601 15.864 1.00 24.89 C
489 ATOM 171 CG TYR A 23 8.048 2.917 16.813 1.00 29.11 C
490 ATOM 172 CD1 TYR A 23 6.967 3.710 16.422 1.00 25.37 C
491 ATOM 173 CD2 TYR A 23 8.087 2.419 18.126 1.00 29.47 C
492 ATOM 174 CE1 TYR A 23 5.959 3.981 17.342 1.00 33.05 C
493 ATOM 175 CE2 TYR A 23 7.167 2.794 19.097 1.00 27.42 C
494 ATOM 176 CZ TYR A 23 6.100 3.579 18.677 1.00 29.98 C
495 ATOM 177 OH TYR A 23 5.135 3.895 19.566 1.00 32.49 O
496 ATOM 178 N ILE A 24 10.358 2.857 12.891 1.00 26.63 N
497 ATOM 179 CA ILE A 24 11.544 3.002 12.045 1.00 23.62 C
498 ATOM 180 C ILE A 24 12.848 2.723 12.839 1.00 27.47 C
499 ATOM 181 O ILE A 24 13.721 1.942 12.446 1.00 25.11 O
500 ATOM 182 CB ILE A 24 11.530 4.355 11.265 1.00 27.34 C
501 ATOM 183 CG1 ILE A 24 10.308 4.326 10.338 1.00 27.39 C
502 ATOM 184 CG2 ILE A 24 12.839 4.618 10.484 1.00 25.71 C
503 ATOM 185 CD1 ILE A 24 10.409 5.326 9.248 1.00 35.33 C
504 ATOM 186 N LEU A 25 13.016 3.398 13.982 1.00 21.68 N
505 ATOM 187 CA LEU A 25 14.226 3.232 14.751 1.00 23.19 C
506 ATOM 188 C LEU A 25 14.494 1.805 15.152 1.00 19.67 C
507 ATOM 189 O LEU A 25 15.622 1.287 15.036 1.00 21.97 O
508 ATOM 190 CB LEU A 25 14.214 4.251 15.971 1.00 25.03 C
509 ATOM 191 CG LEU A 25 15.399 4.134 16.985 1.00 33.85 C
510 ATOM 192 CD1 LEU A 25 16.767 4.626 16.432 1.00 28.22 C
511 ATOM 193 CD2 LEU A 25 15.003 4.794 18.321 1.00 23.35 C
512 ATOM 194 N ASP A 26 13.445 1.170 15.740 1.00 21.80 N
513 ATOM 195 CA ASP A 26 13.567 -0.238 16.197 1.00 24.22 C
514 ATOM 196 C ASP A 26 13.968 -1.184 15.076 1.00 28.12 C
515 ATOM 197 O ASP A 26 14.887 -2.035 15.191 1.00 26.29 O
516 ATOM 198 CB ASP A 26 12.229 -0.815 16.715 1.00 26.64 C
517 ATOM 199 CG ASP A 26 11.713 -0.170 18.009 1.00 37.98 C
518 ATOM 200 OD1 ASP A 26 12.168 0.845 18.458 1.00 46.55 O
519 ATOM 201 OD2 ASP A 26 10.581 -0.638 18.464 1.00 44.33 O
520 ATOM 202 N ALA A 27 13.266 -0.995 13.938 1.00 28.45 N
521 ATOM 203 CA ALA A 27 13.559 -1.804 12.709 1.00 30.31 C
522 ATOM 204 C ALA A 27 15.013 -1.637 12.266 1.00 24.55 C
523 ATOM 205 O ALA A 27 15.704 -2.620 11.990 1.00 26.78 O
524 ATOM 206 CB ALA A 27 12.584 -1.510 11.550 1.00 27.80 C
525 ATOM 207 N ALA A 28 15.467 -0.370 12.227 1.00 21.71 N
526 ATOM 208 CA ALA A 28 16.844 -0.113 11.872 1.00 22.96 C
527 ATOM 209 C ALA A 28 17.837 -0.801 12.830 1.00 31.14 C
528 ATOM 210 O ALA A 28 18.866 -1.394 12.440 1.00 29.37 O
529 ATOM 211 CB ALA A 28 17.190 1.365 11.769 1.00 30.64 C
530 ATOM 212 N GLU A 29 17.519 -0.733 14.138 1.00 32.57 N
531 ATOM 213 CA GLU A 29 18.383 -1.339 15.157 1.00 33.34 C
532 ATOM 214 C GLU A 29 18.598 -2.824 14.926 1.00 23.91 C
533 ATOM 215 O GLU A 29 19.748 -3.285 14.959 1.00 29.83 O
534 ATOM 216 CB GLU A 29 17.921 -0.963 16.602 1.00 25.60 C
535 ATOM 217 CG GLU A 29 18.305 0.502 16.913 1.00 24.44 C
536 ATOM 218 CD GLU A 29 17.457 1.018 18.046 1.00 25.19 C
537 ATOM 219 OE1 GLU A 29 16.460 0.426 18.438 1.00 24.78 O
538 ATOM 220 OE2 GLU A 29 17.923 2.098 18.586 1.00 23.81 O
539 ATOM 221 N GLU A 30 17.448 -3.455 14.709 1.00 27.47 N
540 ATOM 222 CA GLU A 30 17.286 -4.882 14.380 1.00 37.83 C
541 ATOM 223 C GLU A 30 18.140 -5.359 13.188 1.00 40.11 C
542 ATOM 224 O GLU A 30 18.573 -6.495 13.120 1.00 39.63 O
543 ATOM 225 CB GLU A 30 15.794 -5.252 14.170 1.00 40.07 C
544 ATOM 226 CG GLU A 30 14.957 -5.155 15.458 1.00 42.44 C
545 ATOM 227 CD GLU A 30 13.539 -5.612 15.275 1.00 56.36 C
546 ATOM 228 OE1 GLU A 30 13.164 -6.260 14.314 1.00 50.54 O
547 ATOM 229 OE2 GLU A 30 12.725 -5.114 16.174 1.00 36.99 O
548 ATOM 230 N GLU A 31 18.344 -4.473 12.222 1.00 38.32 N
549 ATOM 231 CA GLU A 31 19.177 -4.703 11.071 1.00 35.60 C
550 ATOM 232 C GLU A 31 20.646 -4.398 11.378 1.00 52.16 C
551 ATOM 233 O GLU A 31 21.518 -4.562 10.510 1.00 49.05 O
552 ATOM 234 CB GLU A 31 18.620 -3.894 9.866 1.00 32.36 C
553 ATOM 235 CG GLU A 31 17.343 -4.552 9.270 1.00 42.97 C
554 ATOM 236 CD GLU A 31 17.511 -6.010 8.860 1.00 67.41 C
555 ATOM 237 OE1 GLU A 31 18.482 -6.441 8.262 1.00 80.04 O
556 ATOM 238 OE2 GLU A 31 16.571 -6.805 9.318 1.00 80.93 O
557 ATOM 239 N GLY A 32 20.934 -3.911 12.608 1.00 36.45 N
558 ATOM 240 CA GLY A 32 22.297 -3.587 13.006 1.00 31.78 C
559 ATOM 241 C GLY A 32 22.778 -2.203 12.703 1.00 31.69 C
560 ATOM 242 O GLY A 32 23.972 -1.976 12.642 1.00 34.57 O
561 ATOM 243 N ILE A 33 21.850 -1.251 12.501 1.00 35.35 N
562 ATOM 244 CA ILE A 33 22.177 0.144 12.177 1.00 28.42 C
563 ATOM 245 C ILE A 33 22.256 1.009 13.444 1.00 33.98 C
564 ATOM 246 O ILE A 33 21.378 0.942 14.287 1.00 32.45 O
565 ATOM 247 CB ILE A 33 21.135 0.765 11.251 1.00 31.00 C
566 ATOM 248 CG1 ILE A 33 20.902 -0.025 9.950 1.00 47.25 C
567 ATOM 249 CG2 ILE A 33 21.426 2.216 10.846 1.00 27.16 C
568 ATOM 250 CD1 ILE A 33 19.920 0.766 9.061 1.00 51.98 C
569 ATOM 251 N ASP A 34 23.258 1.860 13.579 1.00 31.29 N
570 ATOM 252 CA ASP A 34 23.303 2.712 14.757 1.00 34.35 C
571 ATOM 253 C ASP A 34 22.744 4.100 14.464 1.00 43.06 C
572 ATOM 254 O ASP A 34 23.349 4.874 13.724 1.00 33.14 O
573 ATOM 255 CB ASP A 34 24.761 2.854 15.196 1.00 38.16 C
574 ATOM 256 CG ASP A 34 24.920 3.628 16.465 1.00 60.77 C
575 ATOM 257 OD1 ASP A 34 24.013 4.180 17.048 1.00 67.71 O
576 ATOM 258 OD2 ASP A 34 26.160 3.670 16.870 1.00100.00 O
577 ATOM 259 N LEU A 35 21.606 4.432 15.063 1.00 25.84 N
578 ATOM 260 CA LEU A 35 20.982 5.725 14.886 1.00 25.49 C
579 ATOM 261 C LEU A 35 20.972 6.503 16.230 1.00 30.02 C
580 ATOM 262 O LEU A 35 20.894 5.970 17.324 1.00 30.20 O
581 ATOM 263 CB LEU A 35 19.524 5.626 14.330 1.00 29.86 C
582 ATOM 264 CG LEU A 35 19.326 4.995 12.913 1.00 34.99 C
583 ATOM 265 CD1 LEU A 35 17.826 5.101 12.508 1.00 25.92 C
584 ATOM 266 CD2 LEU A 35 20.204 5.766 11.885 1.00 28.46 C
585 ATOM 267 N PRO A 36 20.991 7.774 16.189 1.00 24.98 N
586 ATOM 268 CA PRO A 36 20.915 8.450 17.496 1.00 27.92 C
587 ATOM 269 C PRO A 36 19.519 8.369 18.150 1.00 34.05 C
588 ATOM 270 O PRO A 36 18.406 8.438 17.518 1.00 24.43 O
589 ATOM 271 CB PRO A 36 21.187 9.939 17.172 1.00 25.14 C
590 ATOM 272 CG PRO A 36 21.223 10.101 15.644 1.00 33.38 C
591 ATOM 273 CD PRO A 36 21.123 8.723 15.027 1.00 27.27 C
592 ATOM 274 N TYR A 37 19.578 8.381 19.481 1.00 24.54 N
593 ATOM 275 CA TYR A 37 18.347 8.494 20.237 1.00 24.90 C
594 ATOM 276 C TYR A 37 18.650 8.899 21.687 1.00 44.09 C
595 ATOM 277 O TYR A 37 19.790 8.838 22.140 1.00 28.24 O
596 ATOM 278 CB TYR A 37 17.491 7.256 20.362 1.00 18.81 C
597 ATOM 279 CG TYR A 37 18.233 6.159 21.122 1.00 24.63 C
598 ATOM 280 CD1 TYR A 37 19.137 5.311 20.464 1.00 26.04 C
599 ATOM 281 CD2 TYR A 37 18.018 5.944 22.486 1.00 29.97 C
600 ATOM 282 CE1 TYR A 37 19.817 4.294 21.132 1.00 30.23 C
601 ATOM 283 CE2 TYR A 37 18.673 4.912 23.167 1.00 24.88 C
602 ATOM 284 CZ TYR A 37 19.581 4.091 22.501 1.00 30.95 C
603 ATOM 285 OH TYR A 37 20.213 3.062 23.175 1.00 38.22 O
604 ATOM 286 N SER A 38 17.595 9.277 22.418 1.00 29.18 N
605 ATOM 287 CA SER A 38 17.725 9.558 23.845 1.00 32.26 C
606 ATOM 288 C SER A 38 16.490 9.055 24.659 1.00 25.30 C
607 ATOM 289 O SER A 38 16.606 7.975 25.282 1.00 25.32 O
608 ATOM 290 CB SER A 38 18.302 10.927 24.200 1.00 22.00 C
609 ATOM 291 OG SER A 38 17.293 11.869 24.016 1.00 33.52 O
610 ATOM 292 N CYS A 39 15.380 9.816 24.591 1.00 23.71 N
611 ATOM 293 CA CYS A 39 14.183 9.490 25.362 1.00 26.55 C
612 ATOM 294 C CYS A 39 13.438 8.285 24.842 1.00 34.48 C
613 ATOM 295 O CYS A 39 12.786 7.587 25.618 1.00 26.18 O
614 ATOM 296 CB CYS A 39 13.199 10.697 25.491 1.00 29.83 C
615 ATOM 297 SG CYS A 39 12.242 11.025 23.939 1.00 29.79 S
616 ATOM 298 N ARG A 40 13.487 8.054 23.495 1.00 24.58 N
617 ATOM 299 CA ARG A 40 12.723 6.913 22.913 1.00 28.18 C
618 ATOM 300 C ARG A 40 11.205 7.064 23.170 1.00 30.09 C
619 ATOM 301 O ARG A 40 10.487 6.085 23.025 1.00 31.35 O
620 ATOM 302 CB ARG A 40 13.215 5.463 23.156 1.00 26.06 C
621 ATOM 303 CG ARG A 40 14.725 5.291 22.954 1.00 26.48 C
622 ATOM 304 CD ARG A 40 15.197 3.855 23.177 1.00 29.25 C
623 ATOM 305 NE ARG A 40 14.665 2.882 22.173 1.00 29.50 N
624 ATOM 306 CZ ARG A 40 15.384 2.358 21.164 1.00 24.32 C
625 ATOM 307 NH1 ARG A 40 16.675 2.663 20.962 1.00 22.08 N
626 ATOM 308 NH2 ARG A 40 14.730 1.522 20.369 1.00 24.44 N
627 ATOM 309 N ALA A 41 10.703 8.251 23.551 1.00 30.98 N
628 ATOM 310 CA ALA A 41 9.258 8.340 23.833 1.00 35.10 C
629 ATOM 311 C ALA A 41 8.586 9.429 23.005 1.00 32.60 C
630 ATOM 312 O ALA A 41 7.617 9.978 23.480 1.00 33.61 O
631 ATOM 313 CB ALA A 41 9.061 8.685 25.305 1.00 32.00 C
632 ATOM 314 N GLY A 42 9.184 9.924 21.887 1.00 37.71 N
633 ATOM 315 CA GLY A 42 8.569 11.038 21.100 1.00 32.94 C
634 ATOM 316 C GLY A 42 8.463 12.452 21.726 1.00 33.79 C
635 ATOM 317 O GLY A 42 7.614 13.321 21.347 1.00 27.19 O
636 ATOM 318 N SER A 43 9.383 12.734 22.670 1.00 29.21 N
637 ATOM 319 CA SER A 43 9.217 14.009 23.222 1.00 27.72 C
638 ATOM 320 C SER A 43 10.468 14.838 23.104 1.00 36.35 C
639 ATOM 321 O SER A 43 10.575 15.886 23.772 1.00 37.69 O
640 ATOM 322 CB SER A 43 8.702 13.848 24.657 1.00 41.18 C
641 ATOM 323 OG SER A 43 9.762 13.391 25.438 1.00 37.35 O
642 ATOM 324 N CYS A 44 11.424 14.383 22.281 1.00 24.01 N
643 ATOM 325 CA CYS A 44 12.645 15.163 22.186 1.00 26.72 C
644 ATOM 326 C CYS A 44 13.177 15.352 20.744 1.00 34.67 C
645 ATOM 327 O CYS A 44 12.489 14.868 19.850 1.00 30.25 O
646 ATOM 328 CB CYS A 44 13.745 14.604 23.122 1.00 22.69 C
647 ATOM 329 SG CYS A 44 14.770 13.299 22.485 1.00 24.81 S
648 ATOM 330 N SER A 45 14.308 16.078 20.499 1.00 24.73 N
649 ATOM 331 CA SER A 45 14.777 16.268 19.112 1.00 26.39 C
650 ATOM 332 C SER A 45 15.868 15.266 18.722 1.00 30.37 C
651 ATOM 333 O SER A 45 16.412 15.218 17.615 1.00 28.25 O
652 ATOM 334 CB SER A 45 15.275 17.674 18.949 1.00 27.38 C
653 ATOM 335 OG SER A 45 16.431 17.813 19.806 1.00 29.38 O
654 ATOM 336 N SER A 46 16.301 14.457 19.674 1.00 21.91 N
655 ATOM 337 CA SER A 46 17.426 13.616 19.381 1.00 21.12 C
656 ATOM 338 C SER A 46 17.353 12.724 18.144 1.00 25.42 C
657 ATOM 339 O SER A 46 18.410 12.471 17.586 1.00 26.31 O
658 ATOM 340 CB SER A 46 17.834 12.702 20.561 1.00 28.46 C
659 ATOM 341 OG SER A 46 18.253 13.537 21.616 1.00 36.10 O
660 ATOM 342 N CYS A 47 16.247 12.026 17.904 1.00 21.93 N
661 ATOM 343 CA CYS A 47 16.202 11.056 16.827 1.00 21.80 C
662 ATOM 344 C CYS A 47 15.649 11.698 15.536 1.00 21.02 C
663 ATOM 345 O CYS A 47 15.149 10.997 14.648 1.00 23.37 O
664 ATOM 346 CB CYS A 47 15.227 9.940 17.245 1.00 20.46 C
665 ATOM 347 SG CYS A 47 13.560 10.572 17.479 1.00 24.27 S
666 ATOM 348 N ALA A 48 15.664 12.998 15.481 1.00 23.57 N
667 ATOM 349 CA ALA A 48 15.062 13.721 14.300 1.00 27.12 C
668 ATOM 350 C ALA A 48 15.728 13.356 12.956 1.00 23.33 C
669 ATOM 351 O ALA A 48 16.985 13.288 12.810 1.00 22.29 O
670 ATOM 352 CB ALA A 48 15.001 15.246 14.459 1.00 23.21 C
671 ATOM 353 N GLY A 49 14.841 13.313 11.994 1.00 26.74 N
672 ATOM 354 CA GLY A 49 15.186 13.132 10.580 1.00 29.02 C
673 ATOM 355 C GLY A 49 14.265 14.081 9.719 1.00 28.23 C
674 ATOM 356 O GLY A 49 13.303 14.752 10.210 1.00 20.19 O
675 ATOM 357 N LYS A 50 14.518 14.061 8.367 1.00 22.94 N
676 ATOM 358 CA LYS A 50 13.710 14.863 7.373 1.00 21.93 C
677 ATOM 359 C LYS A 50 13.181 13.817 6.316 1.00 27.46 C
678 ATOM 360 O LYS A 50 13.986 13.010 5.743 1.00 22.40 O
679 ATOM 361 CB LYS A 50 14.564 15.966 6.685 1.00 22.08 C
680 ATOM 362 CG LYS A 50 14.605 17.254 7.500 1.00 70.03 C
681 ATOM 363 CD LYS A 50 13.535 18.294 7.153 1.00 70.65 C
682 ATOM 364 CE LYS A 50 14.198 19.537 6.556 1.00 95.81 C
683 ATOM 365 NZ LYS A 50 13.315 20.498 5.873 1.00100.00 N
684 ATOM 366 N LEU A 51 11.843 13.756 6.190 1.00 23.93 N
685 ATOM 367 CA LEU A 51 11.182 12.820 5.242 1.00 22.04 C
686 ATOM 368 C LEU A 51 11.343 13.464 3.811 1.00 26.89 C
687 ATOM 369 O LEU A 51 11.019 14.617 3.489 1.00 26.02 O
688 ATOM 370 CB LEU A 51 9.711 12.786 5.619 1.00 23.42 C
689 ATOM 371 CG LEU A 51 8.853 12.151 4.557 1.00 26.07 C
690 ATOM 372 CD1 LEU A 51 9.040 10.663 4.609 1.00 32.32 C
691 ATOM 373 CD2 LEU A 51 7.389 12.360 4.843 1.00 35.33 C
692 ATOM 374 N LYS A 52 11.980 12.719 2.963 1.00 24.44 N
693 ATOM 375 CA LYS A 52 12.215 13.149 1.602 1.00 23.16 C
694 ATOM 376 C LYS A 52 11.098 12.677 0.642 1.00 30.50 C
695 ATOM 377 O LYS A 52 10.510 13.473 -0.152 1.00 32.15 O
696 ATOM 378 CB LYS A 52 13.547 12.573 1.200 1.00 24.68 C
697 ATOM 379 CG LYS A 52 14.590 13.069 2.203 1.00 61.41 C
698 ATOM 380 CD LYS A 52 14.704 14.575 2.120 1.00 88.91 C
699 ATOM 381 CE LYS A 52 15.163 15.276 3.378 1.00 99.36 C
700 ATOM 382 NZ LYS A 52 15.668 16.630 3.069 1.00100.00 N
701 ATOM 383 N THR A 53 10.723 11.429 0.796 1.00 22.25 N
702 ATOM 384 CA THR A 53 9.693 10.822 -0.062 1.00 24.34 C
703 ATOM 385 C THR A 53 8.818 9.802 0.661 1.00 27.89 C
704 ATOM 386 O THR A 53 9.369 8.972 1.390 1.00 28.95 O
705 ATOM 387 CB THR A 53 10.434 9.920 -1.104 1.00 31.58 C
706 ATOM 388 OG1 THR A 53 11.485 10.615 -1.745 1.00 36.65 O
707 ATOM 389 CG2 THR A 53 9.392 9.465 -2.097 1.00 28.92 C
708 ATOM 390 N GLY A 54 7.520 9.785 0.437 1.00 23.82 N
709 ATOM 391 CA GLY A 54 6.697 8.779 1.103 1.00 22.96 C
710 ATOM 392 C GLY A 54 5.747 9.381 2.211 1.00 21.97 C
711 ATOM 393 O GLY A 54 5.664 10.588 2.423 1.00 25.52 O
712 ATOM 394 N SER A 55 5.072 8.494 2.960 1.00 25.22 N
713 ATOM 395 CA SER A 55 4.154 8.875 4.011 1.00 28.49 C
714 ATOM 396 C SER A 55 4.486 8.103 5.302 1.00 24.34 C
715 ATOM 397 O SER A 55 4.973 6.965 5.258 1.00 27.68 O
716 ATOM 398 CB SER A 55 2.761 8.352 3.609 1.00 29.79 C
717 ATOM 399 OG SER A 55 2.398 8.865 2.336 1.00 41.45 O
718 ATOM 400 N LEU A 56 4.183 8.723 6.426 1.00 26.66 N
719 ATOM 401 CA LEU A 56 4.424 8.134 7.760 1.00 25.62 C
720 ATOM 402 C LEU A 56 3.240 8.370 8.687 1.00 30.33 C
721 ATOM 403 O LEU A 56 2.434 9.273 8.469 1.00 29.36 O
722 ATOM 404 CB LEU A 56 5.559 8.867 8.490 1.00 26.75 C
723 ATOM 405 CG LEU A 56 6.906 8.861 7.782 1.00 34.83 C
724 ATOM 406 CD1 LEU A 56 7.858 9.937 8.326 1.00 29.42 C
725 ATOM 407 CD2 LEU A 56 7.639 7.531 7.941 1.00 28.43 C
726 ATOM 408 N ASN A 57 3.150 7.556 9.719 1.00 28.09 N
727 ATOM 409 CA ASN A 57 2.162 7.782 10.791 1.00 24.87 C
728 ATOM 410 C ASN A 57 2.970 8.183 12.032 1.00 23.91 C
729 ATOM 411 O ASN A 57 3.748 7.365 12.556 1.00 25.64 O
730 ATOM 412 CB ASN A 57 1.327 6.524 11.056 1.00 26.11 C
731 ATOM 413 CG ASN A 57 0.408 6.647 12.288 1.00 35.12 C
732 ATOM 414 OD1 ASN A 57 0.559 7.569 13.092 1.00 40.95 O
733 ATOM 415 ND2 ASN A 57 -0.544 5.753 12.492 1.00 41.01 N
734 ATOM 416 N GLN A 58 2.776 9.444 12.447 1.00 27.37 N
735 ATOM 417 CA GLN A 58 3.511 10.052 13.595 1.00 31.76 C
736 ATOM 418 C GLN A 58 2.582 10.362 14.800 1.00 34.04 C
737 ATOM 419 O GLN A 58 2.879 11.183 15.671 1.00 29.19 O
738 ATOM 420 CB GLN A 58 4.233 11.333 13.150 1.00 25.80 C
739 ATOM 421 CG GLN A 58 5.444 11.050 12.242 1.00 28.40 C
740 ATOM 422 CD GLN A 58 6.459 12.201 12.190 1.00 47.72 C
741 ATOM 423 OE1 GLN A 58 6.420 13.019 11.268 1.00 34.30 O
742 ATOM 424 NE2 GLN A 58 7.377 12.316 13.133 1.00 26.13 N
743 ATOM 425 N ASP A 59 1.433 9.693 14.869 1.00 36.72 N
744 ATOM 426 CA ASP A 59 0.490 9.937 15.971 1.00 38.66 C
745 ATOM 427 C ASP A 59 1.091 9.815 17.356 1.00 35.94 C
746 ATOM 428 O ASP A 59 0.654 10.514 18.266 1.00 39.04 O
747 ATOM 429 CB ASP A 59 -0.584 8.841 15.935 1.00 42.70 C
748 ATOM 430 CG ASP A 59 -1.530 8.991 14.788 1.00 46.32 C
749 ATOM 431 OD1 ASP A 59 -1.658 10.028 14.186 1.00 38.83 O
750 ATOM 432 OD2 ASP A 59 -2.364 7.994 14.691 1.00 59.49 O
751 ATOM 433 N ASP A 60 1.995 8.847 17.545 1.00 24.98 N
752 ATOM 434 CA ASP A 60 2.571 8.658 18.857 1.00 24.28 C
753 ATOM 435 C ASP A 60 3.580 9.740 19.204 1.00 40.65 C
754 ATOM 436 O ASP A 60 4.138 9.656 20.278 1.00 43.03 O
755 ATOM 437 CB ASP A 60 3.322 7.326 18.890 1.00 27.18 C
756 ATOM 438 CG ASP A 60 2.315 6.216 18.808 1.00 57.16 C
757 ATOM 439 OD1 ASP A 60 1.117 6.432 18.881 1.00 51.58 O
758 ATOM 440 OD2 ASP A 60 2.833 5.017 18.626 1.00 41.88 O
759 ATOM 441 N GLN A 61 3.968 10.668 18.334 1.00 27.55 N
760 ATOM 442 CA GLN A 61 4.973 11.625 18.768 1.00 30.08 C
761 ATOM 443 C GLN A 61 4.316 12.872 19.438 1.00 40.72 C
762 ATOM 444 O GLN A 61 3.179 13.216 19.124 1.00 34.19 O
763 ATOM 445 CB GLN A 61 5.776 12.028 17.544 1.00 33.63 C
764 ATOM 446 CG GLN A 61 5.117 13.131 16.681 1.00 25.93 C
765 ATOM 447 CD GLN A 61 5.331 14.519 17.217 1.00 28.73 C
766 ATOM 448 OE1 GLN A 61 6.402 14.827 17.721 1.00 30.35 O
767 ATOM 449 NE2 GLN A 61 4.427 15.450 16.881 1.00 35.06 N
768 ATOM 450 N SER A 62 4.967 13.636 20.333 1.00 27.75 N
769 ATOM 451 CA SER A 62 4.283 14.824 20.910 1.00 30.90 C
770 ATOM 452 C SER A 62 5.077 16.100 20.909 1.00 36.75 C
771 ATOM 453 O SER A 62 4.690 17.110 21.441 1.00 52.66 O
772 ATOM 454 CB SER A 62 3.864 14.633 22.379 1.00 35.95 C
773 ATOM 455 OG SER A 62 4.952 14.105 23.125 1.00 46.21 O
774 ATOM 456 N PHE A 63 6.252 16.067 20.384 1.00 29.60 N
775 ATOM 457 CA PHE A 63 7.102 17.228 20.417 1.00 27.99 C
776 ATOM 458 C PHE A 63 6.946 18.183 19.229 1.00 31.11 C
777 ATOM 459 O PHE A 63 7.002 19.359 19.419 1.00 27.26 O
778 ATOM 460 CB PHE A 63 8.530 16.630 20.559 1.00 25.49 C
779 ATOM 461 CG PHE A 63 9.618 17.648 20.427 1.00 30.88 C
780 ATOM 462 CD1 PHE A 63 9.947 18.463 21.509 1.00 26.86 C
781 ATOM 463 CD2 PHE A 63 10.321 17.816 19.230 1.00 29.02 C
782 ATOM 464 CE1 PHE A 63 11.013 19.366 21.435 1.00 29.07 C
783 ATOM 465 CE2 PHE A 63 11.373 18.727 19.142 1.00 29.76 C
784 ATOM 466 CZ PHE A 63 11.726 19.519 20.243 1.00 33.72 C
785 ATOM 467 N LEU A 64 6.865 17.724 17.971 1.00 25.68 N
786 ATOM 468 CA LEU A 64 6.831 18.662 16.842 1.00 24.82 C
787 ATOM 469 C LEU A 64 5.450 19.287 16.739 1.00 26.70 C
788 ATOM 470 O LEU A 64 4.460 18.591 16.986 1.00 31.40 O
789 ATOM 471 CB LEU A 64 7.034 17.871 15.491 1.00 22.47 C
790 ATOM 472 CG LEU A 64 8.369 17.086 15.396 1.00 29.46 C
791 ATOM 473 CD1 LEU A 64 8.417 16.185 14.142 1.00 30.53 C
792 ATOM 474 CD2 LEU A 64 9.647 17.977 15.456 1.00 24.48 C
793 ATOM 475 N ASP A 65 5.405 20.538 16.305 1.00 28.62 N
794 ATOM 476 CA ASP A 65 4.152 21.243 16.006 1.00 34.60 C
795 ATOM 477 C ASP A 65 3.666 20.894 14.548 1.00 41.36 C
796 ATOM 478 O ASP A 65 4.444 20.342 13.747 1.00 26.86 O
797 ATOM 479 CB ASP A 65 4.279 22.755 16.344 1.00 31.77 C
798 ATOM 480 CG ASP A 65 5.013 23.596 15.359 1.00 47.04 C
799 ATOM 481 OD1 ASP A 65 5.134 23.317 14.193 1.00 48.63 O
800 ATOM 482 OD2 ASP A 65 5.539 24.667 15.877 1.00 71.08 O
801 ATOM 483 N ASP A 66 2.394 21.176 14.206 1.00 31.65 N
802 ATOM 484 CA ASP A 66 1.862 20.859 12.888 1.00 33.85 C
803 ATOM 485 C ASP A 66 2.718 21.427 11.772 1.00 38.51 C
804 ATOM 486 O ASP A 66 2.894 20.807 10.719 1.00 38.50 O
805 ATOM 487 CB ASP A 66 0.336 21.139 12.705 1.00 35.51 C
806 ATOM 488 CG ASP A 66 -0.498 20.102 13.425 1.00 95.83 C
807 ATOM 489 OD1 ASP A 66 -0.319 18.893 13.287 1.00100.00 O
808 ATOM 490 OD2 ASP A 66 -1.318 20.615 14.323 1.00 84.76 O
809 ATOM 491 N ASP A 67 3.271 22.611 12.040 1.00 33.26 N
810 ATOM 492 CA ASP A 67 4.128 23.303 11.083 1.00 33.10 C
811 ATOM 493 C ASP A 67 5.410 22.560 10.803 1.00 45.29 C
812 ATOM 494 O ASP A 67 5.837 22.433 9.647 1.00 34.92 O
813 ATOM 495 CB ASP A 67 4.521 24.678 11.546 1.00 31.04 C
814 ATOM 496 CG ASP A 67 3.513 25.724 11.117 1.00 90.55 C
815 ATOM 497 OD1 ASP A 67 2.330 25.355 10.766 1.00 92.64 O
816 ATOM 498 OD2 ASP A 67 3.854 26.959 11.106 1.00100.00 O
817 ATOM 499 N GLN A 68 6.015 22.094 11.853 1.00 38.59 N
818 ATOM 500 CA GLN A 68 7.260 21.369 11.718 1.00 32.76 C
819 ATOM 501 C GLN A 68 7.016 20.090 10.901 1.00 26.08 C
820 ATOM 502 O GLN A 68 7.814 19.732 10.023 1.00 30.32 O
821 ATOM 503 CB GLN A 68 7.820 21.057 13.091 1.00 22.57 C
822 ATOM 504 CG GLN A 68 8.535 22.262 13.705 1.00 26.78 C
823 ATOM 505 CD GLN A 68 8.904 22.067 15.173 1.00 35.57 C
824 ATOM 506 OE1 GLN A 68 8.118 21.511 15.936 1.00 29.91 O
825 ATOM 507 NE2 GLN A 68 10.069 22.499 15.619 1.00 29.90 N
826 ATOM 508 N ILE A 69 5.903 19.435 11.205 1.00 25.11 N
827 ATOM 509 CA ILE A 69 5.499 18.196 10.509 1.00 27.87 C
828 ATOM 510 C ILE A 69 5.327 18.483 9.019 1.00 34.66 C
829 ATOM 511 O ILE A 69 5.811 17.729 8.162 1.00 29.47 O
830 ATOM 512 CB ILE A 69 4.171 17.674 11.063 1.00 32.70 C
831 ATOM 513 CG1 ILE A 69 4.302 17.089 12.470 1.00 40.33 C
832 ATOM 514 CG2 ILE A 69 3.565 16.559 10.207 1.00 29.13 C
833 ATOM 515 CD1 ILE A 69 5.045 15.752 12.495 1.00 32.83 C
834 ATOM 516 N ASP A 70 4.637 19.573 8.776 1.00 31.86 N
835 ATOM 517 CA ASP A 70 4.370 20.072 7.426 1.00 38.31 C
836 ATOM 518 C ASP A 70 5.714 20.306 6.684 1.00 40.55 C
837 ATOM 519 O ASP A 70 5.839 20.039 5.474 1.00 48.39 O
838 ATOM 520 CB ASP A 70 3.604 21.400 7.532 1.00 52.17 C
839 ATOM 521 CG ASP A 70 2.078 21.257 7.683 1.00 55.19 C
840 ATOM 522 OD1 ASP A 70 1.545 20.107 7.915 1.00 80.92 O
841 ATOM 523 OD2 ASP A 70 1.323 22.303 7.572 1.00 63.35 O
842 ATOM 524 N GLU A 71 6.703 20.810 7.446 1.00 34.13 N
843 ATOM 525 CA GLU A 71 8.074 21.120 6.933 1.00 34.15 C
844 ATOM 526 C GLU A 71 8.794 19.823 6.526 1.00 30.41 C
845 ATOM 527 O GLU A 71 9.763 19.846 5.748 1.00 35.23 O
846 ATOM 528 CB GLU A 71 8.924 21.851 8.000 1.00 41.29 C
847 ATOM 529 CG GLU A 71 8.882 23.387 7.868 1.00 64.85 C
848 ATOM 530 CD GLU A 71 10.268 24.068 7.864 1.00100.00 C
849 ATOM 531 OE1 GLU A 71 11.290 23.479 8.387 1.00 55.31 O
850 ATOM 532 OE2 GLU A 71 10.413 25.243 7.337 1.00100.00 O
851 ATOM 533 N GLY A 72 8.295 18.726 7.081 1.00 27.79 N
852 ATOM 534 CA GLY A 72 8.784 17.369 6.766 1.00 32.80 C
853 ATOM 535 C GLY A 72 9.646 16.761 7.895 1.00 32.09 C
854 ATOM 536 O GLY A 72 10.348 15.757 7.699 1.00 25.25 O
855 ATOM 537 N TRP A 73 9.595 17.356 9.076 1.00 22.23 N
856 ATOM 538 CA TRP A 73 10.383 16.849 10.220 1.00 21.49 C
857 ATOM 539 C TRP A 73 9.765 15.543 10.734 1.00 26.19 C
858 ATOM 540 O TRP A 73 8.548 15.414 10.743 1.00 26.06 O
859 ATOM 541 CB TRP A 73 10.454 17.886 11.341 1.00 23.52 C
860 ATOM 542 CG TRP A 73 11.396 19.048 11.007 1.00 26.22 C
861 ATOM 543 CD1 TRP A 73 11.039 20.269 10.605 1.00 28.20 C
862 ATOM 544 CD2 TRP A 73 12.823 19.008 11.067 1.00 24.95 C
863 ATOM 545 NE1 TRP A 73 12.238 21.017 10.401 1.00 28.21 N
864 ATOM 546 CE2 TRP A 73 13.272 20.262 10.674 1.00 34.89 C
865 ATOM 547 CE3 TRP A 73 13.768 18.030 11.414 1.00 24.84 C
866 ATOM 548 CZ2 TRP A 73 14.626 20.610 10.598 1.00 32.01 C
867 ATOM 549 CZ3 TRP A 73 15.133 18.390 11.338 1.00 28.18 C
868 ATOM 550 CH2 TRP A 73 15.540 19.620 10.948 1.00 32.61 C
869 ATOM 551 N VAL A 74 10.593 14.559 11.200 1.00 23.35 N
870 ATOM 552 CA VAL A 74 10.113 13.267 11.705 1.00 26.91 C
871 ATOM 553 C VAL A 74 10.908 12.880 12.956 1.00 21.84 C
872 ATOM 554 O VAL A 74 12.136 13.080 12.973 1.00 22.56 O
873 ATOM 555 CB VAL A 74 10.512 12.092 10.734 1.00 34.43 C
874 ATOM 556 CG1 VAL A 74 9.845 10.767 11.131 1.00 31.94 C
875 ATOM 557 CG2 VAL A 74 10.272 12.404 9.276 1.00 34.41 C
876 ATOM 558 N LEU A 75 10.212 12.238 13.882 1.00 23.50 N
877 ATOM 559 CA LEU A 75 10.892 11.635 15.066 1.00 25.89 C
878 ATOM 560 C LEU A 75 10.923 10.134 14.847 1.00 21.88 C
879 ATOM 561 O LEU A 75 9.878 9.418 14.894 1.00 24.28 O
880 ATOM 562 CB LEU A 75 10.252 12.047 16.425 1.00 24.52 C
881 ATOM 563 CG LEU A 75 10.262 13.564 16.716 1.00 29.19 C
882 ATOM 564 CD1 LEU A 75 9.589 13.895 18.095 1.00 27.15 C
883 ATOM 565 CD2 LEU A 75 11.679 14.128 16.642 1.00 24.99 C
884 ATOM 566 N THR A 76 12.124 9.633 14.510 1.00 20.95 N
885 ATOM 567 CA THR A 76 12.251 8.258 14.122 1.00 22.14 C
886 ATOM 568 C THR A 76 11.899 7.212 15.221 1.00 25.69 C
887 ATOM 569 O THR A 76 11.533 6.102 14.878 1.00 20.55 O
888 ATOM 570 CB THR A 76 13.595 7.943 13.417 1.00 29.14 C
889 ATOM 571 OG1 THR A 76 14.619 8.070 14.358 1.00 22.12 O
890 ATOM 572 CG2 THR A 76 13.851 8.815 12.151 1.00 21.65 C
891 ATOM 573 N CYS A 77 11.936 7.604 16.523 1.00 19.42 N
892 ATOM 574 CA CYS A 77 11.573 6.588 17.500 1.00 23.31 C
893 ATOM 575 C CYS A 77 10.080 6.382 17.585 1.00 23.91 C
894 ATOM 576 O CYS A 77 9.604 5.521 18.330 1.00 27.19 O
895 ATOM 577 CB CYS A 77 12.096 7.056 18.896 1.00 26.08 C
896 ATOM 578 SG CYS A 77 11.280 8.530 19.603 1.00 24.96 S
897 ATOM 579 N ALA A 78 9.316 7.248 16.935 1.00 20.23 N
898 ATOM 580 CA ALA A 78 7.844 7.176 17.084 1.00 26.31 C
899 ATOM 581 C ALA A 78 7.033 7.191 15.789 1.00 36.64 C
900 ATOM 582 O ALA A 78 5.853 7.565 15.774 1.00 30.28 O
901 ATOM 583 CB ALA A 78 7.355 8.353 17.931 1.00 24.52 C
902 ATOM 584 N ALA A 79 7.710 6.814 14.700 1.00 29.72 N
903 ATOM 585 CA ALA A 79 7.111 6.869 13.368 1.00 32.19 C
904 ATOM 586 C ALA A 79 6.958 5.506 12.733 1.00 25.32 C
905 ATOM 587 O ALA A 79 7.919 4.711 12.753 1.00 24.70 O
906 ATOM 588 CB ALA A 79 7.896 7.902 12.468 1.00 25.97 C
907 ATOM 589 N TYR A 80 5.749 5.231 12.211 1.00 25.90 N
908 ATOM 590 CA TYR A 80 5.484 4.014 11.425 1.00 24.76 C
909 ATOM 591 C TYR A 80 5.417 4.400 9.929 1.00 24.61 C
910 ATOM 592 O TYR A 80 4.854 5.446 9.553 1.00 25.82 O
911 ATOM 593 CB TYR A 80 4.219 3.175 11.706 1.00 26.45 C
912 ATOM 594 CG TYR A 80 4.106 2.676 13.134 1.00 31.84 C
913 ATOM 595 CD1 TYR A 80 4.830 1.580 13.624 1.00 34.25 C
914 ATOM 596 CD2 TYR A 80 3.242 3.365 13.990 1.00 34.72 C
915 ATOM 597 CE1 TYR A 80 4.714 1.193 14.964 1.00 30.56 C
916 ATOM 598 CE2 TYR A 80 3.065 2.963 15.314 1.00 30.24 C
917 ATOM 599 CZ TYR A 80 3.790 1.866 15.770 1.00 35.29 C
918 ATOM 600 OH TYR A 80 3.624 1.546 17.078 1.00 51.62 O
919 ATOM 601 N PRO A 81 6.018 3.558 9.080 1.00 27.26 N
920 ATOM 602 CA PRO A 81 5.949 3.836 7.625 1.00 29.66 C
921 ATOM 603 C PRO A 81 4.575 3.430 7.093 1.00 31.14 C
922 ATOM 604 O PRO A 81 4.053 2.403 7.575 1.00 29.26 O
923 ATOM 605 CB PRO A 81 6.936 2.848 6.980 1.00 28.79 C
924 ATOM 606 CG PRO A 81 7.194 1.736 8.003 1.00 31.75 C
925 ATOM 607 CD PRO A 81 6.736 2.280 9.352 1.00 26.94 C
926 ATOM 608 N VAL A 82 3.960 4.235 6.214 1.00 27.18 N
927 ATOM 609 CA VAL A 82 2.685 3.782 5.638 1.00 35.74 C
928 ATOM 610 C VAL A 82 2.831 3.398 4.139 1.00 42.39 C
929 ATOM 611 O VAL A 82 1.907 3.001 3.426 1.00 34.16 O
930 ATOM 612 CB VAL A 82 1.424 4.610 5.984 1.00 36.83 C
931 ATOM 613 CG1 VAL A 82 1.091 4.669 7.474 1.00 37.46 C
932 ATOM 614 CG2 VAL A 82 1.473 6.001 5.423 1.00 34.29 C
933 ATOM 615 N SER A 83 4.039 3.560 3.645 1.00 36.29 N
934 ATOM 616 CA SER A 83 4.438 3.307 2.273 1.00 34.79 C
935 ATOM 617 C SER A 83 5.941 3.232 2.282 1.00 35.38 C
936 ATOM 618 O SER A 83 6.586 3.383 3.330 1.00 27.25 O
937 ATOM 619 CB SER A 83 4.139 4.497 1.347 1.00 30.61 C
938 ATOM 620 OG SER A 83 5.019 5.647 1.485 1.00 28.06 O
939 ATOM 621 N ASP A 84 6.494 3.021 1.094 1.00 26.06 N
940 ATOM 622 CA ASP A 84 7.922 3.058 1.040 1.00 30.29 C
941 ATOM 623 C ASP A 84 8.379 4.468 1.376 1.00 30.65 C
942 ATOM 624 O ASP A 84 7.718 5.431 0.999 1.00 31.40 O
943 ATOM 625 CB ASP A 84 8.418 2.707 -0.338 1.00 29.55 C
944 ATOM 626 CG ASP A 84 8.195 1.254 -0.617 1.00 40.79 C
945 ATOM 627 OD1 ASP A 84 7.890 0.313 0.155 1.00 34.20 O
946 ATOM 628 OD2 ASP A 84 8.405 1.151 -1.879 1.00 47.36 O
947 ATOM 629 N VAL A 85 9.526 4.644 2.031 1.00 22.99 N
948 ATOM 630 CA VAL A 85 9.939 6.010 2.333 1.00 20.82 C
949 ATOM 631 C VAL A 85 11.478 6.190 2.308 1.00 24.03 C
950 ATOM 632 O VAL A 85 12.262 5.206 2.513 1.00 27.17 O
951 ATOM 633 CB VAL A 85 9.478 6.435 3.755 1.00 28.89 C
952 ATOM 634 CG1 VAL A 85 7.965 6.527 3.938 1.00 26.65 C
953 ATOM 635 CG2 VAL A 85 10.152 5.504 4.814 1.00 29.90 C
954 ATOM 636 N THR A 86 11.848 7.460 1.993 1.00 20.22 N
955 ATOM 637 CA THR A 86 13.198 7.883 2.071 1.00 21.23 C
956 ATOM 638 C THR A 86 13.330 8.952 3.174 1.00 25.70 C
957 ATOM 639 O THR A 86 12.605 9.949 3.191 1.00 22.59 O
958 ATOM 640 CB THR A 86 13.718 8.431 0.769 1.00 23.30 C
959 ATOM 641 OG1 THR A 86 13.519 7.475 -0.260 1.00 26.36 O
960 ATOM 642 CG2 THR A 86 15.210 8.768 0.824 1.00 22.87 C
961 ATOM 643 N ILE A 87 14.262 8.733 4.102 1.00 22.97 N
962 ATOM 644 CA ILE A 87 14.463 9.665 5.240 1.00 23.87 C
963 ATOM 645 C ILE A 87 15.949 10.014 5.452 1.00 19.36 C
964 ATOM 646 O ILE A 87 16.814 9.140 5.475 1.00 24.47 O
965 ATOM 647 CB ILE A 87 13.972 9.014 6.543 1.00 21.55 C
966 ATOM 648 CG1 ILE A 87 12.454 8.826 6.572 1.00 27.50 C
967 ATOM 649 CG2 ILE A 87 14.331 9.833 7.785 1.00 20.65 C
968 ATOM 650 CD1 ILE A 87 11.969 7.924 7.710 1.00 31.38 C
969 ATOM 651 N GLU A 88 16.242 11.311 5.598 1.00 21.01 N
970 ATOM 652 CA GLU A 88 17.622 11.757 5.934 1.00 22.22 C
971 ATOM 653 C GLU A 88 17.735 11.750 7.465 1.00 27.78 C
972 ATOM 654 O GLU A 88 16.941 12.400 8.152 1.00 24.12 O
973 ATOM 655 CB GLU A 88 17.905 13.188 5.441 1.00 28.56 C
974 ATOM 656 CG GLU A 88 17.653 13.397 3.950 1.00 41.70 C
975 ATOM 657 CD GLU A 88 18.260 14.697 3.405 1.00 48.78 C
976 ATOM 658 OE1 GLU A 88 18.764 15.569 4.210 1.00 55.59 O
977 ATOM 659 OE2 GLU A 88 18.265 14.913 2.133 1.00 95.14 O
978 ATOM 660 N THR A 89 18.708 11.014 7.991 1.00 21.38 N
979 ATOM 661 CA THR A 89 18.881 10.871 9.468 1.00 25.41 C
980 ATOM 662 C THR A 89 19.936 11.870 10.028 1.00 30.23 C
981 ATOM 663 O THR A 89 20.541 12.649 9.288 1.00 22.22 O
982 ATOM 664 CB THR A 89 19.313 9.435 9.803 1.00 24.95 C
983 ATOM 665 OG1 THR A 89 20.566 9.146 9.196 1.00 26.36 O
984 ATOM 666 CG2 THR A 89 18.316 8.369 9.323 1.00 23.11 C
985 ATOM 667 N HIS A 90 20.129 11.829 11.361 1.00 29.25 N
986 ATOM 668 CA HIS A 90 21.114 12.699 12.096 1.00 30.89 C
987 ATOM 669 C HIS A 90 20.896 14.194 11.746 1.00 19.65 C
988 ATOM 670 O HIS A 90 21.807 14.876 11.254 1.00 24.29 O
989 ATOM 671 CB HIS A 90 22.552 12.359 11.680 1.00 23.67 C
990 ATOM 672 CG HIS A 90 22.966 10.925 12.015 1.00 28.74 C
991 ATOM 673 ND1 HIS A 90 22.367 9.824 11.412 1.00 25.05 N
992 ATOM 674 CD2 HIS A 90 23.901 10.429 12.868 1.00 25.95 C
993 ATOM 675 CE1 HIS A 90 22.932 8.732 11.896 1.00 26.62 C
994 ATOM 676 NE2 HIS A 90 23.848 9.075 12.766 1.00 27.96 N
995 ATOM 677 N LYS A 91 19.692 14.702 12.017 1.00 21.85 N
996 ATOM 678 CA LYS A 91 19.328 16.104 11.671 1.00 24.48 C
997 ATOM 679 C LYS A 91 18.969 16.961 12.899 1.00 22.53 C
998 ATOM 680 O LYS A 91 18.507 18.105 12.767 1.00 24.20 O
999 ATOM 681 CB LYS A 91 18.092 16.125 10.769 1.00 24.74 C
1000 ATOM 682 CG LYS A 91 18.394 15.720 9.329 1.00 33.72 C
1001 ATOM 683 CD LYS A 91 19.267 16.737 8.594 1.00 33.40 C
1002 ATOM 684 CE LYS A 91 19.650 16.284 7.184 1.00 56.58 C
1003 ATOM 685 NZ LYS A 91 20.051 17.398 6.313 1.00 70.22 N
1004 ATOM 686 N LYS A 92 19.193 16.402 14.066 1.00 29.41 N
1005 ATOM 687 CA LYS A 92 18.862 17.064 15.343 1.00 29.57 C
1006 ATOM 688 C LYS A 92 19.404 18.499 15.416 1.00 31.36 C
1007 ATOM 689 O LYS A 92 18.727 19.418 15.897 1.00 30.72 O
1008 ATOM 690 CB LYS A 92 19.478 16.299 16.516 1.00 28.26 C
1009 ATOM 691 CG LYS A 92 19.717 17.184 17.743 1.00 42.15 C
1010 ATOM 692 CD LYS A 92 19.736 16.395 19.054 1.00 58.10 C
1011 ATOM 693 CE LYS A 92 21.130 16.311 19.680 1.00 74.57 C
1012 ATOM 694 NZ LYS A 92 21.096 16.204 21.146 1.00 73.77 N
1013 ATOM 695 N GLU A 93 20.609 18.655 14.934 1.00 25.37 N
1014 ATOM 696 CA GLU A 93 21.334 19.926 15.008 1.00 33.41 C
1015 ATOM 697 C GLU A 93 20.816 20.964 13.971 1.00 34.04 C
1016 ATOM 698 O GLU A 93 21.217 22.136 13.972 1.00 37.10 O
1017 ATOM 699 CB GLU A 93 22.827 19.630 14.806 1.00 36.08 C
1018 ATOM 700 CG GLU A 93 23.635 19.664 16.121 1.00100.00 C
1019 ATOM 701 CD GLU A 93 23.858 18.339 16.907 1.00100.00 C
1020 ATOM 702 OE1 GLU A 93 22.862 17.695 17.423 1.00100.00 O
1021 ATOM 703 OE2 GLU A 93 25.060 17.880 17.081 1.00100.00 O
1022 ATOM 704 N GLU A 94 19.911 20.554 13.095 1.00 33.03 N
1023 ATOM 705 CA GLU A 94 19.390 21.462 12.044 1.00 33.87 C
1024 ATOM 706 C GLU A 94 17.957 21.905 12.326 1.00 30.08 C
1025 ATOM 707 O GLU A 94 17.403 22.771 11.634 1.00 29.33 O
1026 ATOM 708 CB GLU A 94 19.373 20.759 10.693 1.00 36.71 C
1027 ATOM 709 CG GLU A 94 20.771 20.470 10.160 1.00 52.81 C
1028 ATOM 710 CD GLU A 94 20.788 20.210 8.656 1.00100.00 C
1029 ATOM 711 OE1 GLU A 94 19.722 20.405 7.957 1.00 57.89 O
1030 ATOM 712 OE2 GLU A 94 21.868 19.796 8.088 1.00 85.85 O
1031 ATOM 713 N LEU A 95 17.393 21.306 13.332 1.00 26.01 N
1032 ATOM 714 CA LEU A 95 16.011 21.563 13.709 1.00 26.71 C
1033 ATOM 715 C LEU A 95 15.801 23.027 14.206 1.00 33.16 C
1034 ATOM 716 O LEU A 95 16.584 23.603 15.002 1.00 28.74 O
1035 ATOM 717 CB LEU A 95 15.601 20.616 14.840 1.00 24.05 C
1036 ATOM 718 CG LEU A 95 14.137 20.768 15.253 1.00 37.37 C
1037 ATOM 719 CD1 LEU A 95 13.161 20.208 14.216 1.00 39.22 C
1038 ATOM 720 CD2 LEU A 95 13.808 20.048 16.563 1.00 48.43 C
1039 ATOM 721 N THR A 96 14.690 23.657 13.803 1.00 24.29 N
1040 ATOM 722 CA THR A 96 14.357 24.971 14.259 1.00 20.50 C
1041 ATOM 723 C THR A 96 12.842 25.027 14.364 1.00 29.60 C
1042 ATOM 724 O THR A 96 12.150 24.097 13.856 1.00 27.87 O
1043 ATOM 725 CB THR A 96 14.675 26.113 13.293 1.00 29.55 C
1044 ATOM 726 OG1 THR A 96 13.917 25.851 12.128 1.00 30.05 O
1045 ATOM 727 CG2 THR A 96 16.120 26.211 13.007 1.00 23.85 C
1046 ATOM 728 N ALA A 97 12.313 26.090 15.052 1.00 27.16 N
1047 ATOM 729 CA ALA A 97 10.851 26.183 15.191 1.00 37.74 C
1048 ATOM 730 C ALA A 97 10.166 26.814 14.004 1.00 64.29 C
1049 ATOM 731 O ALA A 97 9.815 27.983 14.121 1.00100.00 O
1050 ATOM 732 CB ALA A 97 10.299 26.681 16.508 1.00 35.84 C
1052 HETATM 734 FE1 FES A1602 13.398 11.548 21.999 1.00 26.97 FE
1053 HETATM 735 FE2 FES A1602 12.925 10.090 19.701 1.00 26.54 FE
1054 HETATM 736 S1 FES A1602 14.657 9.885 21.071 1.00 26.27 S
1055 HETATM 737 S2 FES A1602 11.681 11.837 20.546 1.00 27.47 S
1056 HETATM 738 O HOH A1603 20.314 3.189 17.662 1.00 28.40 O
1057 HETATM 739 O HOH A1604 19.136 13.499 14.797 1.00 27.63 O
1058 HETATM 740 O HOH A1605 15.839 17.655 22.569 1.00 31.32 O
1059 HETATM 741 O HOH A1606 13.340 -3.911 18.366 1.00 31.87 O
1060 HETATM 742 O HOH A1607 17.589 8.577 14.886 1.00 25.57 O
1061 HETATM 743 O HOH A1608 3.158 6.964 15.663 1.00 32.70 O
1062 HETATM 744 O HOH A1609 12.607 3.196 0.028 1.00 35.81 O
1063 HETATM 745 O HOH A1610 17.941 10.294 12.971 1.00 28.21 O
1064 HETATM 746 O HOH A1611 1.926 1.370 9.724 1.00 37.77 O
1065 HETATM 747 O HOH A1612 11.412 3.410 19.732 1.00 37.42 O
1066 HETATM 748 O HOH A1613 8.807 17.793 25.373 1.00 41.85 O
1067 HETATM 749 O HOH A1614 3.590 11.528 5.863 1.00 39.49 O
1068 HETATM 750 O HOH A1615 25.052 1.593 11.348 1.00 43.97 O
1069 HETATM 751 O HOH A1616 -6.196 7.375 14.972 1.00 75.86 O
1070 HETATM 752 O HOH A1617 8.534 -0.956 17.306 1.00 37.45 O
1071 HETATM 753 O HOH A1618 6.639 15.107 8.525 1.00 36.12 O
1072 HETATM 754 O HOH A1619 22.246 2.005 21.737 1.00 36.05 O
1073 HETATM 755 O HOH A1620 14.535 -4.507 10.197 1.00 55.68 O
1074 HETATM 756 O HOH A1621 4.876 2.526 -1.355 1.00 41.58 O
1075 HETATM 757 O HOH A1622 11.330 5.913 -0.990 1.00 42.42 O
1076 HETATM 758 O HOH A1623 8.224 5.865 20.826 1.00 41.41 O
1077 HETATM 759 O HOH A1624 22.831 5.923 19.420 1.00 45.06 O
1078 HETATM 760 O HOH A1625 14.917 23.836 10.267 1.00 40.43 O
1079 HETATM 761 O HOH A1626 11.139 24.357 10.914 1.00 63.90 O
1080 HETATM 762 O HOH A1627 11.625 17.756 3.797 1.00 64.36 O
1081 HETATM 763 O HOH A1628 0.872 11.720 21.228 1.00 66.38 O
1082 HETATM 764 O HOH A1629 -0.211 4.813 15.867 1.00 63.96 O
1083 HETATM 765 O HOH A1630 20.658 -7.095 8.049 1.00 67.10 O
1084 HETATM 766 O HOH A1631 24.043 4.181 -2.687 1.00 53.06 O
1085 HETATM 767 O HOH A1632 21.936 6.378 21.945 1.00 55.43 O
1086 HETATM 768 O HOH A1633 19.025 24.652 14.863 1.00 51.35 O
1087 HETATM 769 O HOH A1634 11.308 8.680 28.143 1.00 44.39 O
1088 HETATM 770 O HOH A1635 -0.428 0.927 5.386 1.00 85.08 O
1089 HETATM 771 O HOH A1636 21.798 10.879 23.320 1.00 52.42 O
1090 HETATM 772 O HOH A1637 3.239 6.955 -0.065 1.00 55.66 O
1091 HETATM 773 O HOH A1638 22.779 2.365 18.908 1.00 43.93 O
1092 HETATM 774 O HOH A1639 24.188 5.146 11.189 1.00 45.31 O
1093 HETATM 775 O HOH A1640 -1.683 -0.913 1.878 1.00 69.36 O
1094 HETATM 776 O HOH A1641 8.696 6.563 -1.677 1.00 58.88 O
1095 HETATM 777 O HOH A1642 7.367 26.197 14.480 1.00 49.47 O
1096 HETATM 778 O HOH A1643 6.591 -1.657 -1.410 1.00 85.37 O
1097 HETATM 779 O HOH A1644 7.606 18.977 3.435 1.00 63.19 O
1098 HETATM 780 O HOH A1645 -3.822 10.414 11.859 1.00 57.70 O
1099 HETATM 781 O HOH A1646 21.749 12.594 6.625 1.00 51.80 O
1100 HETATM 782 O HOH A1647 23.131 4.812 23.785 1.00 50.20 O
1101 HETATM 783 O HOH A1648 16.610 3.001 -2.612 1.00 56.90 O
1102 HETATM 784 O HOH A1649 22.528 16.502 13.897 1.00 55.79 O
1103 HETATM 785 O HOH A1650 26.500 7.848 10.348 1.00 68.43 O
1104 HETATM 786 O HOH A1651 3.851 12.983 3.178 1.00 49.71 O
1105 HETATM 787 O HOH A1652 19.786 18.726 20.646 1.00 45.90 O
1106 HETATM 788 O HOH A1653 18.145 27.680 9.755 1.00 64.26 O
1107 HETATM 789 O HOH A1654 17.574 -8.112 7.017 1.00 76.51 O
1108 HETATM 790 O HOH A1655 22.282 13.839 15.539 1.00 60.51 O
1109 HETATM 791 O HOH A1656 21.110 -7.809 14.066 1.00 66.51 O
1110 HETATM 792 O HOH A1657 25.732 22.369 16.313 1.00 59.47 O
1111 HETATM 793 O HOH A1658 13.415 9.318 -2.947 1.00 59.85 O
1112 HETATM 794 O HOH A1659 13.899 22.771 7.168 1.00 63.98 O
1113 HETATM 795 O HOH A1660 27.481 5.665 17.885 1.00 79.40 O
1114 HETATM 796 O HOH A1661 8.580 -4.372 17.408 1.00 60.41 O
1115 HETATM 797 O HOH A1662 24.876 4.074 8.926 1.00 71.07 O
1116 HETATM 798 O HOH A1663 10.525 -6.340 15.708 1.00 53.48 O
1117 HETATM 799 O HOH A1664 -1.284 5.529 19.201 1.00 68.40 O
1118 HETATM 800 O HOH A1665 15.014 11.978 -2.461 1.00 64.00 O
1119 HETATM 801 O HOH A1666 14.106 -9.236 2.519 1.00 67.28 O
1120 HETATM 802 O HOH A1667 14.062 29.978 13.852 1.00 84.39 O
1121 HETATM 803 O HOH A1668 6.500 2.082 -3.927 1.00 73.15 O
1122 HETATM 804 O HOH A1669 -3.999 12.915 12.023 1.00 70.07 O
1123 HETATM 805 O HOH A1670 22.522 10.655 20.491 1.00 62.92 O
1124 HETATM 806 O HOH A1671 5.802 -4.428 16.828 1.00 64.57 O
1125 HETATM 807 O HOH A1672 -0.285 -5.312 2.050 1.00 83.51 O
1126 HETATM 808 O HOH A1673 -0.266 3.144 11.216 1.00 68.25 O
1127 HETATM 809 O HOH A1674 25.407 13.378 14.852 1.00 80.99 O
1128 HETATM 810 O HOH A1675 15.568 7.564 -2.586 1.00 71.16 O
1129 HETATM 811 O HOH A1676 4.787 10.976 22.962 1.00 65.51 O
1130 HETATM 812 O HOH A1677 25.854 23.790 19.080 1.00 69.96 O
1131 HETATM 813 O HOH A1678 6.047 15.849 24.673 1.00 76.93 O
1132 HETATM 814 O HOH A1679 3.270 10.385 25.458 1.00 68.03 O
1133 HETATM 815 O HOH A1680 17.147 -11.645 -0.378 1.00 76.39 O
1134 HETATM 816 O HOH A1681 3.889 11.272 28.440 1.00 57.34 O
1135 HETATM 817 O HOH A1682 0.829 10.575 6.206 1.00 61.71 O
1136 HETATM 818 O HOH A1683 -2.192 14.658 14.063 1.00 83.95 O
1141 CONECT 734 297 329 736 737
1142 CONECT 735 347 578 736 737
1145 MASTER 253 0 1 4 5 0 2 6 817 1 8 8
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