[sharp-discuss] refmac5 running for hours now
Imre Toeroe
toro at embl.de
Wed May 16 15:50:15 BST 2007
A refmac job from arp/warp is running for hours now ..... Any idea?
Thanks,
Imre
The log:
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### CCP4 6.0: Refmac_5.2.0019 version 5.2.0019 : 06/09/05##
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User: toro Run date: 16/ 5/2007 Run time: 12:57:49
Please reference: Collaborative Computational Project, Number 4. 1994.
"The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, 760-763.
as well as any specific reference in the program write-up.
$TEXT:Reference1: $$ comment $$
"Refinement of Macromolecular Structures by the Maximum-Likelihood Method:"
G.N. Murshudov, A.A.Vagin and E.J.Dodson,(1997)
Acta Crystallogr. D53, 240-255
EU Validation contract: BIO2CT-92-0524
$$
$SUMMARY :Reference1: $$ Refmac: $$
:TEXT:Reference1: $$
Data line--- MAKE HYDR NO
Data line--- MAKE CHECK NONE
Data line--- MAKE NEWLIGAND NOEXIT
Data line--- LABI FP=FPsha SIGFP=SIGFPsha FREE=FreeR_flag HLA=HLA HLB=HLB HLC=HLC HLD=HLD
Data line--- LABO FC=FC PHIC=PHIC FWT=2FOFCWT PHWT=PH2FOFCWT DELFWT=FOFCWT PHDELWT=PHFOFCWT
Data line--- REFI RESOLUTION 20.220 1.500 TYPE RESTR
Data line--- REFI RESI MLKF PHASed SCBLurred 1.0 BBLUr 0.0
Data line--- REFI BREF ISOTROPIC METH CGMAT
Data line--- WEIG AUTO
Data line--- DAMP 1.0 1.0
Data line--- SCAL TYPE BULK LSSC ANIS
Data line--- SCAL MLSC
Data line--- SOLV NO
Data line--- NCYC 1
Comment line--- ##############################################################################
Comment line--- # This software is licenced to : European Molecular Biology Laboratory
Comment line--- ##############################################################################
Comment line--- ! rms = 0.206 / 0.897
Data line--- NCSR NCHA 2 CHAI A B NSPA 1 17 45 4
Comment line--- ! rms = 0.173 / 1.433
Data line--- NCSR NCHA 2 CHAI A B NSPA 1 49 61 2
Comment line--- ! rms = 0.228 / 1.011
Data line--- NCSR NCHA 2 CHAI A B NSPA 1 67 77 4
Comment line--- ! rms = 0.255 / 0.837
Data line--- NCSR NCHA 2 CHAI A B NSPA 1 81 141 4
Comment line--- ! rms = 0.202 / 0.949
Data line--- NCSR NCHA 2 CHAI A B NSPA 1 143 158 4
Data line--- MONI MANY
Data line--- BLIM 2 56.433
Data line--- BINS 20
Data line--- VDWR SIGMA DUMMY 50.0 INCREMENT DUMMY -1.0
Data line--- VDWR 0.0
Data line--- END
OPENED INPUT MTZ FILE
Logical Name: HKLIN Filename: /home/toro/xsoft/SHARP/users/toro/None.sharp/logfiles/HDSOD.1/eden_flat_48.4pc.mtz
Spacegroup information obtained from library file:
Logical Name: SYMINFO Filename: /home/toro/xsoft/SHARP/database/syminfo.lib
**** Input and Default parameters# ****
Input coordinate file. Logical name - XYZIN actual file name - ./files/snow_cycle40.pdb
Output coordinate file. Logical name - XYZOUT actual file name - ./files/refmac_cycle41.pdb
Input reflection file. Logical name - HKLIN actual file name - /home/toro/xsoft/SHARP/users/toro/None.sharp/logfiles/HDSOD.1/eden_flat_48.4pc.mtz
Output reflection file. Logical name - HKLOUT actual file name - ./files/refmac_cycle41.mtz
Cell from mtz : 71.442 64.026 74.006 90.000 118.040 90.000
Space group from mtz: number - 5; name - C 1 2 1
Refinement type : Restrained
**** Makecif parameters ****
Dictionary files for restraints : /home/toro/xsoft/ccp4-6.0.2/lib/data/monomers/mon*cif
Parameters for new entry and VDW: /home/toro/xsoft/ccp4-6.0.2/lib/data/monomers/ener_lib.cif
User supplied dictionary entries: ./files/heavy.lib
Program will rely on residue and atom names. No checking
If this option is used then monomers should be checked carefully before using
Hydrogens will not be written to the output file
Links between monomers will be checked. Only those links present in the coordinate file will be used
Standard sugar links will be analysed and used
For new ligands "ideal restraint" values will be taken from the energetic libary ener_lib.cif
Symmetry related links will be analysed and used
Cis peptides will be found and used automatically
Residual : Phase modified Maximum Likelihood for Fs
Phase Blurred by Scale*Exp(-B s**2) : 1.00 0.00
**** Least-square scaling parameters ****
Overall scale
Overall B value
Overall anisotropic B with tr(B) = 0.0
Bulk solvent based on Babinet"s principle
Method of minimisation : Sparse Matrix
Experimental sigmas used for weighting
Number of Bins and width: 20 0.0222
Refinement of individual isotropic Bfactors
Refinement resln : 20.2200 1.5000
Estimated number of reflections : 66048
Free R exclusion - flag equals: 0
Auto weighting. An attempt
Refinement cycles : 1
Scaling type :
Bulk solvent using using Babinet principle
using working set of reflns but not experimental sigmas
Estimation of SigmaA Using 2 Gaussians:
using free set of reflns with experimental sigmas
Input phases not used in SigmaA estimation
Scaling and SigmaA resln: 20.2200 1.5000
Damping factors: 1.0000 1.0000
**** Geometry restraints and weights ****
Sigma:
Bonding distances
Weight = 1.00
Bond angles
Weight = 1.00
Planar groups
WEIGHT= 1.00
Chiral centers
Weight= 1.00
NON-BONDED CONTACTS
Overall weight = 0.00
Sigma for simple VDW = 0.20
Sigma for VDW trhough torsion angle = 0.20
Sigma for HBOND = 0.20
Sigma for metal-ion = 0.20
Sigma for DUMMY and other atom = 50.00
Distance for donor-accepetor = vdw1+vdw2+(-0.30)
Distance for acceptor - H = vdw1+ ( 0.10)
VDW distance through torsion = vdw1+vdw2+(-0.30)
Distance for DUMMY-others = vdw1+vdw2+(-1.00)
TORSION ANGLES
Weight= 1.00
THERMAL FACTORS
Weight= 1.00
Main chain bond (1-2 neighbour) 1.50A**2
Main chain angle (1-3 neighbour) 2.00A**2
Side chain bond 3.00A**2
Side chain angle 4.50A**2
**** NCS restraints parameters ****
Number of different NCS restraints 5
NCS restraint : 1
Number of chains : 2
Chain names : A B
Spans 1
Span 1, From 17 to 45, weighting code 4
NCS restraint : 2
Number of chains : 2
Chain names : A B
Spans 1
Span 1, From 49 to 61, weighting code 2
NCS restraint : 3
Number of chains : 2
Chain names : A B
Spans 1
Span 1, From 67 to 77, weighting code 4
NCS restraint : 4
Number of chains : 2
Chain names : A B
Spans 1
Span 1, From 81 to 141, weighting code 4
NCS restraint : 5
Number of chains : 2
Chain names : A B
Spans 1
Span 1, From 143 to 158, weighting code 4
Weight= 1.00
Positional, tight class 0.05A
Positional, medium class 0.50A
Positional, weak class 5.00A
Thermal, tight class 0.50A**2
Thermal, medium class 2.00A**2
Thermal, weak class 10.00A**2
RESTRAINTS AGAINST EXCESSIVE SHIFTS
Positional parameters 0.00A
Thermal parameters 0.00A
Occupancy parameters 0.00
RADIUS OF CONFIDENCE
Positional parameters 0.30A
Thermal parameters 0.03A**2
Occupancy parameters 0.50
Monitoring style is "MANY". Complete information will be printed out in all cycles
Sigma cutoffs for printing out outliers
If deviation of restraint parameter > alpha*sigma then information will be printed out
Distance outliers 10.000
Angle outliers 10.000
Torsion outliers 10.000
Chiral volume outliers 10.000
Plane outliers 10.000
Non-bonding outliers 10.000
B value outliers 10.000
NCS outliers 20.000
---------------------------------------------------------------
Input file :./files/snow_cycle40.pdb
Size of lib_com.fh(bytes) : 62114724
------------------------------
--- LIBRARY OF MONOMERS ---
_lib_name mon_lib
_lib_version 4.11
_lib_update 15/04/05
------------------------------
------------------------------
--- LIBRARY OF MONOMERS ---
_lib_name mon_lib
_lib_version 3.1
_lib_update 16/07/00
------------------------------
NUMBER OF MONOMERS IN THE LIBRARY : 2433
with complete description : 450
NUMBER OF MODIFICATIONS : 46
NUMBER OF LINKS : 64
I am reading libraries. Please wait.
- energy parameters
- monomer"s description (links & mod )
FORMATTED OLD file opened on unit 45
Logical name: ATOMSF, Filename: /home/toro/xsoft/SHARP/database/atomsf
Number of atoms : 3041
Number of residues : 1238
Number of chains : 9
I am reading library. Please wait.
mon_lib.cif
WARNING : conn: gap. ch:AA res: 13 ASP --> 17 GLY
WARNING : conn: gap. ch:AA res: 60 LYS --> 67 VAL
WARNING : conn: gap. ch:AA res: 76 TRP --> 81 THR
WARNING : conn: gap. ch:AA res: 140 HIS --> 143 PRO
WARNING : conn: gap. ch:BB res: 44 HIS --> 49 PHE
WARNING : conn: gap. ch:BB res: 140 HIS --> 143 PRO
INFO: link is found (not be used) dist= 1.460 ideal_dist= 1.460
ch:AA res: 50 HIS at:CE1 .->ch:AA res: 52 HIS at:CE1 .
INFO: link is found (not be used) dist= 1.576 ideal_dist= 1.330
ch:AA res: 53 GLU at:OE1 .->ch:AA res: 76 TRP at:CE3 .
INFO: link is found (not be used) dist= 1.571 ideal_dist= 1.330
ch:AA res: 53 GLU at:OE2 .->ch:AA res: 76 TRP at:CZ3 .
WARNING : link:SS is found dist = 2.247 ideal_dist= 2.031
ch:AA res: 57 CYS at:SG .->BB res: 153 CYS at:SG .
WARNING : link:SS is found dist = 2.072 ideal_dist= 2.031
ch:AA res: 153 CYS at:SG .->BB res: 57 CYS at:SG .
INFO: link is found (not be used) dist= 1.636 ideal_dist= 2.070
ch:AA res: 75 HIS at:ND1 .->ch:XX res: 1 HET at:ZN .
INFO: link is found (not be used) dist= 2.038 ideal_dist= 2.070
ch:AA res: 84 HIS at:ND1 .->ch:XX res: 1 HET at:ZN .
INFO: link is found (not be used) dist= 1.881 ideal_dist= 2.070
ch:AA res: 93 HIS at:ND1 .->ch:XX res: 1 HET at:ZN .
INFO: link is found (not be used) dist= 1.941 ideal_dist= 1.990
ch:AA res: 96 ASP at:OD1 .->ch:XX res: 1 HET at:ZN .
INFO: link is found (not be used) dist= 1.998 ideal_dist= 2.115
ch:AA res: 50 HIS at:CG .->ch:Xc res: 4 HET at:ZN .
INFO: link is found (not be used) dist= 2.227 ideal_dist= 2.070
ch:AA res: 50 HIS at:ND1 .->ch:Xc res: 4 HET at:ZN .
INFO: link is found (not be used) dist= 1.648 ideal_dist= 2.115
ch:AA res: 50 HIS at:CE1 .->ch:Xc res: 4 HET at:ZN .
INFO: link is found (not be used) dist= 0.456 ideal_dist= 2.070
ch:AA res: 50 HIS at:NE2 .->ch:Xc res: 4 HET at:ZN .
INFO: link is found (not be used) dist= 0.983 ideal_dist= 2.115
ch:AA res: 50 HIS at:CD2 .->ch:Xc res: 4 HET at:ZN .
INFO: link is found (not be used) dist= 1.944 ideal_dist= 2.115
ch:AA res: 131 HIS at:CE1 .->ch:Xc res: 4 HET at:ZN .
INFO: link is found (not be used) dist= 1.667 ideal_dist= 1.260
ch:BB res: 50 HIS at:NE2 .->ch:BB res: 131 HIS at:CE1 .
INFO: link is found (not be used) dist= 1.188 ideal_dist= 1.330
ch:BB res: 53 GLU at:OE1 .->ch:BB res: 76 TRP at:CZ3 .
--------------------------------
--- title of input coord file ---
PDB_code:xxxx
PDB_name:----
PDB_date:XX-XXX-XX
--------------------------------
Number of chains : 9
Total number of monomers : 1238
Number of atoms : 3041
Number of missing atoms : 0
Number of rebuilt atoms : 0
Number of unknown atoms : 0
Number of deleted atoms : 0
Number of bonds restraints : 2142
Number of angles restraints : 2886
Number of torsions restraints : 1488
Number of chiralities : 301
Number of planar groups : 375
loop_
_atom_type_symbol
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
N 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826 -11.5290
C 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512 0.2156
O 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089 0.2508
S 6.9053 1.4679 5.2034 22.2151 1.4379 0.2536 1.5863 56.1720 0.8669
ZN 14.0743 3.2655 7.0318 0.2333 5.1625 10.3163 2.4100 58.7097 1.3041
Number of reflections in file 47182
Number of reflection read 47180
CGMAT cycle number = 1
**** Bond distance outliers ****
Bond distance deviations from the ideal >10.000Sigma will be monitored
A 8 PRO CD . - A 8 PRO N . mod.= 1.707 id.= 1.473 dev= -0.234 sig.= 0.014
A 37 PRO CD . - A 37 PRO N . mod.= 1.700 id.= 1.473 dev= -0.227 sig.= 0.014
A 55 PRO CD . - A 55 PRO N . mod.= 1.667 id.= 1.473 dev= -0.194 sig.= 0.014
A 59 PRO CD . - A 59 PRO N . mod.= 1.678 id.= 1.473 dev= -0.205 sig.= 0.014
A 87 PRO CD . - A 87 PRO N . mod.= 1.693 id.= 1.473 dev= -0.220 sig.= 0.014
A 98 PRO CD . - A 98 PRO N . mod.= 1.748 id.= 1.473 dev= -0.275 sig.= 0.014
A 111 PRO CD . - A 111 PRO N . mod.= 1.675 id.= 1.473 dev= -0.202 sig.= 0.014
A 115 PRO CD . - A 115 PRO N . mod.= 1.683 id.= 1.473 dev= -0.210 sig.= 0.014
A 143 PRO CD . - A 143 PRO N . mod.= 1.710 id.= 1.473 dev= -0.237 sig.= 0.014
A 149 PRO CD . - A 149 PRO N . mod.= 1.706 id.= 1.473 dev= -0.233 sig.= 0.014
B 37 PRO CD . - B 37 PRO N . mod.= 1.699 id.= 1.473 dev= -0.226 sig.= 0.014
B 55 PRO CD . - B 55 PRO N . mod.= 1.673 id.= 1.473 dev= -0.200 sig.= 0.014
B 59 PRO CD . - B 59 PRO N . mod.= 1.674 id.= 1.473 dev= -0.201 sig.= 0.014
B 78 PRO CD . - B 78 PRO N . mod.= 1.699 id.= 1.473 dev= -0.226 sig.= 0.014
B 87 PRO CD . - B 87 PRO N . mod.= 1.703 id.= 1.473 dev= -0.230 sig.= 0.014
B 98 PRO CD . - B 98 PRO N . mod.= 1.706 id.= 1.473 dev= -0.233 sig.= 0.014
B 111 PRO CD . - B 111 PRO N . mod.= 1.668 id.= 1.473 dev= -0.195 sig.= 0.014
B 115 PRO CD . - B 115 PRO N . mod.= 1.658 id.= 1.473 dev= -0.185 sig.= 0.014
B 143 PRO CD . - B 143 PRO N . mod.= 1.658 id.= 1.473 dev= -0.185 sig.= 0.014
B 149 PRO CD . - B 149 PRO N . mod.= 1.669 id.= 1.473 dev= -0.196 sig.= 0.014
A 57 CYS SG . - B 153 CYS SG . mod.= 2.247 id.= 2.031 dev= -0.216 sig.= 0.020
**** VDW outliers ****
VDW deviations from the ideal >10.000Sigma or dist < 1.000 will be monitored
A 3 GLU CB . - Y 596 DUM DUM . mod.= 0.744 id.= 1.520 dev= -0.78 sig.=50.00 sym.= 1 0 0 0
A 3 GLU OE1 . - Y 753 DUM DUM . mod.= 0.872 id.= 1.120 dev= -0.25 sig.=50.00 sym.= 1 0 0 0
A 3 GLU OE2 . - Y 654 DUM DUM . mod.= 0.896 id.= 1.120 dev= -0.22 sig.=50.00 sym.= 1 0 0 0
A 6 VAL CG1 . - Y2008 DUM DUM . mod.= 0.958 id.= 1.540 dev= -0.58 sig.=50.00 sym.= 1 0 0 0
A 25 GLU OE2 . - Y1766 DUM DUM . mod.= 0.799 id.= 1.120 dev= -0.32 sig.=50.00 sym.= 1 0 0 0
A 31 TYR O . - Y 402 DUM DUM . mod.= 0.704 id.= 1.120 dev= -0.42 sig.=50.00 sym.= 1 0 0 0
A 49 PHE CE2 . - Y 814 DUM DUM . mod.= 0.936 id.= 1.420 dev= -0.48 sig.=50.00 sym.= 1 0 0 0
A 50 HIS CE1 . - A 52 HIS CE1 . mod.= 1.460 id.= 3.480 dev= -2.02 sig.= 0.20 sym.= 1 0 0 0
A 50 HIS NE2 . - X 4 HET ZN . mod.= 0.456 id.= 2.060 dev= -1.60 sig.= 0.20 sym.= 1 0 0 0
A 50 HIS CD2 . - X 4 HET ZN . mod.= 0.983 id.= 3.130 dev= -2.15 sig.= 0.20 sym.= 1 0 0 0
A 52 HIS ND1 . - Y 818 DUM DUM . mod.= 0.765 id.= 1.200 dev= -0.43 sig.=50.00 sym.= 1 0 0 0
A 52 HIS CE1 . - Y 819 DUM DUM . mod.= 0.793 id.= 1.340 dev= -0.55 sig.=50.00 sym.= 1 0 0 0
A 52 HIS NE2 . - Y 819 DUM DUM . mod.= 0.741 id.= 1.200 dev= -0.46 sig.=50.00 sym.= 1 0 0 0
A 58 GLU CG . - Y 465 DUM DUM . mod.= 0.883 id.= 1.520 dev= -0.64 sig.=50.00 sym.= 1 0 0 0
A 58 GLU CD . - Y 465 DUM DUM . mod.= 0.778 id.= 1.350 dev= -0.57 sig.=50.00 sym.= 1 0 0 0
A 76 TRP CD1 . - Y1024 DUM DUM . mod.= 0.762 id.= 1.340 dev= -0.58 sig.=50.00 sym.= 1 0 0 0
A 76 TRP NE1 . - Y1025 DUM DUM . mod.= 0.781 id.= 1.200 dev= -0.42 sig.=50.00 sym.= 1 0 0 0
A 76 TRP CD2 . - Y1884 DUM DUM . mod.= 0.855 id.= 1.340 dev= -0.49 sig.=50.00 sym.= 1 0 0 0
A 82 GLN CD . - Y 218 DUM DUM . mod.= 0.832 id.= 1.350 dev= -0.52 sig.=50.00 sym.= 1 0 0 0
A 96 ASP OD2 . - Y2003 DUM DUM . mod.= 0.795 id.= 1.120 dev= -0.32 sig.=50.00 sym.= 1 0 0 0
A 100 LEU CD2 . - Y1059 DUM DUM . mod.= 0.886 id.= 1.540 dev= -0.65 sig.=50.00 sym.= 1 0 0 0
A 111 PRO CD . - Y1353 DUM DUM . mod.= 0.864 id.= 1.520 dev= -0.66 sig.=50.00 sym.= 1 0 0 0
A 117 LEU CD2 . - Y1993 DUM DUM . mod.= 0.959 id.= 1.540 dev= -0.58 sig.=50.00 sym.= 1 0 0 0
A 124 LYS O . - Y 326 DUM DUM . mod.= 0.922 id.= 1.120 dev= -0.20 sig.=50.00 sym.= 1 0 0 0
A 126 HIS NE2 . - Y1240 DUM DUM . mod.= 0.739 id.= 1.200 dev= -0.46 sig.=50.00 sym.= 1 0 0 0
A 136 ASN ND2 . - Y1208 DUM DUM . mod.= 0.963 id.= 1.200 dev= -0.24 sig.=50.00 sym.= 1 0 0 0
A 139 ASP CG . - Y 360 DUM DUM . mod.= 0.824 id.= 1.350 dev= -0.53 sig.=50.00 sym.= 1 0 0 0
A 139 ASP OD2 . - Y1948 DUM DUM . mod.= 0.847 id.= 1.120 dev= -0.27 sig.=50.00 sym.= 1 0 0 0
A 139 ASP OD2 . - Y 360 DUM DUM . mod.= 0.909 id.= 1.120 dev= -0.21 sig.=50.00 sym.= 1 0 0 0
A 145 GLY O . - Y 573 DUM DUM . mod.= 0.962 id.= 1.120 dev= -0.16 sig.=50.00 sym.= 1 0 0 0
A 153 CYS CB . - Y1904 DUM DUM . mod.= 0.981 id.= 1.520 dev= -0.54 sig.=50.00 sym.= 1 0 0 0
A 157 LYS CD . - Y1146 DUM DUM . mod.= 0.801 id.= 1.520 dev= -0.72 sig.=50.00 sym.= 1 0 0 0
A 157 LYS CE . - Y1146 DUM DUM . mod.= 0.748 id.= 1.520 dev= -0.77 sig.=50.00 sym.= 1 0 0 0
B 33 LEU CG . - Y1271 DUM DUM . mod.= 0.985 id.= 1.550 dev= -0.57 sig.=50.00 sym.= 1 0 0 0
B 50 HIS CG . - Y 4 DUM DUM . mod.= 0.975 id.= 1.340 dev= -0.37 sig.=50.00 sym.= 1 0 0 0
B 50 HIS CE1 . - X 3 HET ZN . mod.= 0.470 id.= 3.130 dev= -2.66 sig.= 0.20 sym.= 3 -1 0 0
B 50 HIS NE2 . - X 3 HET ZN . mod.= 0.905 id.= 2.060 dev= -1.15 sig.= 0.20 sym.= 3 -1 0 0
B 51 ILE CD1 . - Y1772 DUM DUM . mod.= 0.947 id.= 1.540 dev= -0.59 sig.=50.00 sym.= 1 0 0 0
B 52 HIS CE1 . - Y1971 DUM DUM . mod.= 0.837 id.= 1.340 dev= -0.50 sig.=50.00 sym.= 1 0 0 0
B 53 GLU OE1 . - B 76 TRP CZ3 . mod.= 1.188 id.= 3.340 dev= -2.15 sig.= 0.20 sym.= 1 0 0 0
B 60 LYS CE . - Y1280 DUM DUM . mod.= 0.919 id.= 1.520 dev= -0.60 sig.=50.00 sym.= 1 0 0 0
B 65 LYS CE . - Y 836 DUM DUM . mod.= 0.967 id.= 1.520 dev= -0.55 sig.=50.00 sym.= 1 0 0 0
B 65 LYS NZ . - Y1138 DUM DUM . mod.= 0.721 id.= 1.200 dev= -0.48 sig.=50.00 sym.= 1 0 0 0
B 65 LYS NZ . - Y1140 DUM DUM . mod.= 0.909 id.= 1.200 dev= -0.29 sig.=50.00 sym.= 1 0 0 0
B 84 HIS CE1 . - Y1954 DUM DUM . mod.= 0.749 id.= 1.340 dev= -0.59 sig.=50.00 sym.= 1 0 0 0
B 86 TYR CE1 . - Y1304 DUM DUM . mod.= 0.912 id.= 1.420 dev= -0.51 sig.=50.00 sym.= 1 0 0 0
B 97 LEU CD2 . - Y1914 DUM DUM . mod.= 0.990 id.= 1.540 dev= -0.55 sig.=50.00 sym.= 1 0 0 0
B 101 PHE CD1 . - Y1331 DUM DUM . mod.= 0.747 id.= 1.420 dev= -0.67 sig.=50.00 sym.= 1 0 0 0
B 105 ASP OD2 . - Y1272 DUM DUM . mod.= 0.940 id.= 1.120 dev= -0.18 sig.=50.00 sym.= 1 0 0 0
B 113 LEU CD1 . - Y1906 DUM DUM . mod.= 0.717 id.= 1.540 dev= -0.82 sig.=50.00 sym.= 1 0 0 0
B 118 LYS CE . - Y1930 DUM DUM . mod.= 0.765 id.= 1.520 dev= -0.76 sig.=50.00 sym.= 1 0 0 0
B 122 GLU OE1 . - Y 920 DUM DUM . mod.= 0.740 id.= 1.120 dev= -0.38 sig.=50.00 sym.= 1 0 0 0
B 129 MET CG . - Y 188 DUM DUM . mod.= 0.946 id.= 1.520 dev= -0.57 sig.=50.00 sym.= 1 0 0 0
B 139 ASP OD2 . - Y1796 DUM DUM . mod.= 0.966 id.= 1.120 dev= -0.15 sig.=50.00 sym.= 1 0 0 0
B 150 ARG CG . - Y1760 DUM DUM . mod.= 0.918 id.= 1.520 dev= -0.60 sig.=50.00 sym.= 1 0 0 0
B 150 ARG CZ . - Y1185 DUM DUM . mod.= 0.969 id.= 1.350 dev= -0.38 sig.=50.00 sym.= 1 0 0 0
X 3 HET ZN . - U 1 DUM DUM . mod.= 0.800 id.= 1.340 dev= -0.54 sig.= 0.20 sym.= 1 0 0 0
Y1149 DUM DUM . - Y1687 DUM DUM . mod.= 0.851 id.= 1.200 dev= -0.35 sig.=50.00 sym.= 1 0 0 0
Y1162 DUM DUM . - Y1196 DUM DUM . mod.= 0.927 id.= 1.200 dev= -0.27 sig.=50.00 sym.= 1 0 0 0
Y1164 DUM DUM . - Y1354 DUM DUM . mod.= 0.945 id.= 1.200 dev= -0.26 sig.=50.00 sym.= 1 0 0 0
Y1166 DUM DUM . - Y1752 DUM DUM . mod.= 0.814 id.= 1.200 dev= -0.39 sig.=50.00 sym.= 1 0 0 0
Y1174 DUM DUM . - Y1605 DUM DUM . mod.= 0.938 id.= 1.200 dev= -0.26 sig.=50.00 sym.= 1 0 0 0
Y1179 DUM DUM . - Y1237 DUM DUM . mod.= 0.770 id.= 1.200 dev= -0.43 sig.=50.00 sym.= 1 0 0 0
Y1249 DUM DUM . - Y1251 DUM DUM . mod.= 0.942 id.= 1.200 dev= -0.26 sig.=50.00 sym.= 1 0 0 0
Y1274 DUM DUM . - Y1279 DUM DUM . mod.= 0.955 id.= 1.200 dev= -0.24 sig.=50.00 sym.= 1 0 0 0
Y1296 DUM DUM . - Y1323 DUM DUM . mod.= 0.931 id.= 1.200 dev= -0.27 sig.=50.00 sym.= 1 0 0 0
Y1360 DUM DUM . - Y1368 DUM DUM . mod.= 0.993 id.= 1.200 dev= -0.21 sig.=50.00 sym.= 1 0 0 0
Y1376 DUM DUM . - Y1381 DUM DUM . mod.= 0.908 id.= 1.200 dev= -0.29 sig.=50.00 sym.= 1 0 0 0
Y1416 DUM DUM . - Y1422 DUM DUM . mod.= 0.885 id.= 1.200 dev= -0.31 sig.=50.00 sym.= 1 0 0 0
Y1427 DUM DUM . - Y1429 DUM DUM . mod.= 0.990 id.= 1.200 dev= -0.21 sig.=50.00 sym.= 1 0 0 0
Y1428 DUM DUM . - Y1768 DUM DUM . mod.= 0.958 id.= 1.200 dev= -0.24 sig.=50.00 sym.= 1 0 0 0
Y1841 DUM DUM . - Y1841 DUM DUM . mod.= 0.993 id.= 1.200 dev= -0.21 sig.=50.00 sym.= 2 0 0 0
**** B-value outliers ****
B-value differences > 10.00Sigma will be monitored
A 34 VAL CB - A 34 VAL CA ABS(DELTA)= 15.650 Sigma= 1.500
A 35 PHE CB - A 35 PHE CA ABS(DELTA)= 15.790 Sigma= 1.500
A 101 PHE C - A 101 PHE N ABS(DELTA)= 36.260 Sigma= 2.000
A 101 PHE C - A 101 PHE CA ABS(DELTA)= 36.570 Sigma= 1.500
A 101 PHE C - A 101 PHE CB ABS(DELTA)= 25.550 Sigma= 2.000
A 101 PHE O - A 101 PHE C ABS(DELTA)= 36.030 Sigma= 1.500
A 102 VAL N - A 101 PHE C ABS(DELTA)= 33.470 Sigma= 1.500
A 102 VAL CA - A 101 PHE C ABS(DELTA)= 34.840 Sigma= 2.000
A 102 VAL C - A 102 VAL N ABS(DELTA)= 33.470 Sigma= 2.000
A 102 VAL C - A 102 VAL CA ABS(DELTA)= 34.840 Sigma= 1.500
A 102 VAL C - A 102 VAL CB ABS(DELTA)= 25.550 Sigma= 2.000
A 103 MET N - A 102 VAL C ABS(DELTA)= 32.250 Sigma= 1.500
A 102 VAL O - A 102 VAL C ABS(DELTA)= 32.260 Sigma= 1.500
A 103 MET CA - A 102 VAL C ABS(DELTA)= 29.320 Sigma= 2.000
A 157 LYS O - A 157 LYS CA ABS(DELTA)= 26.070 Sigma= 2.000
A 157 LYS O - A 157 LYS C ABS(DELTA)= 24.810 Sigma= 1.500
B 49 PHE CB - B 49 PHE CA ABS(DELTA)= 15.250 Sigma= 1.500
B 63 ASP C - B 63 ASP CA ABS(DELTA)= 22.280 Sigma= 1.500
B 63 ASP C - B 63 ASP CB ABS(DELTA)= 25.550 Sigma= 2.000
B 63 ASP O - B 63 ASP C ABS(DELTA)= 20.660 Sigma= 1.500
B 64 GLY N - B 63 ASP C ABS(DELTA)= 18.780 Sigma= 1.500
B 65 LYS N - B 64 GLY C ABS(DELTA)= 15.240 Sigma= 1.500
B 64 GLY O - B 64 GLY C ABS(DELTA)= 15.650 Sigma= 1.500
B 77 ASP C - B 77 ASP N ABS(DELTA)= 25.400 Sigma= 2.000
B 77 ASP C - B 77 ASP CA ABS(DELTA)= 23.890 Sigma= 1.500
B 77 ASP C - B 77 ASP CB ABS(DELTA)= 25.550 Sigma= 2.000
B 78 PRO N - B 77 ASP C ABS(DELTA)= 20.730 Sigma= 1.500
B 78 PRO CD - B 77 ASP C ABS(DELTA)= 25.550 Sigma= 2.000
B 77 ASP O - B 77 ASP C ABS(DELTA)= 23.830 Sigma= 1.500
B 78 PRO C - B 78 PRO N ABS(DELTA)= 21.490 Sigma= 2.000
B 78 PRO C - B 78 PRO CA ABS(DELTA)= 19.780 Sigma= 1.500
B 78 PRO C - B 78 PRO CB ABS(DELTA)= 26.310 Sigma= 2.000
B 78 PRO O - B 78 PRO C ABS(DELTA)= 19.500 Sigma= 1.500
B 79 LYS CA - B 78 PRO C ABS(DELTA)= 21.370 Sigma= 2.000
B 79 LYS N - B 78 PRO C ABS(DELTA)= 22.480 Sigma= 1.500
B 157 LYS O - B 157 LYS CA ABS(DELTA)= 29.110 Sigma= 2.000
B 157 LYS O - B 157 LYS C ABS(DELTA)= 28.890 Sigma= 1.500
Transformation from chain A to chain A
1.000 0.000 0.000
R = 0.000 1.000 0.000
0.000 0.000 1.000
T = 0.000 0.000 0.000
DET(R) = 1.000
Phi = 0.00 Psi(or Omega) = 0.00 Chi(or Kapppa) = 0.00
----------------------------------------------------
Transformation from chain B to chain A
-0.2818 -0.7610E-01 0.9565
R = -0.8012E-01 -0.9915 -0.1025
0.9561 -0.1055 0.2733
T = -1.946 71.84 7.493
DET(R) = 1.000
Phi = -6.21 Psi(or Omega) = 37.07 Chi(or Kapppa) = 179.85
----------------------------------------------------
Transformation from chain A to chain A
1.000 0.000 0.000
R = 0.000 1.000 0.000
0.000 0.000 1.000
T = 0.000 0.000 0.000
DET(R) = 1.000
Phi = 0.00 Psi(or Omega) = 0.00 Chi(or Kapppa) = 0.00
----------------------------------------------------
Transformation from chain B to chain A
-0.2657 -0.5351E-01 0.9626
R = -0.9542E-01 -0.9921 -0.8148E-01
0.9593 -0.1135 0.2585
T = -3.225 71.60 8.289
DET(R) = 1.000
Phi = 174.21 Psi(or Omega) = 142.49 Chi(or Kapppa) = 178.49
----------------------------------------------------
Transformation from chain A to chain A
1.000 0.000 0.000
R = 0.000 1.000 0.000
0.000 0.000 1.000
T = 0.000 0.000 0.000
DET(R) = 1.000
Phi = 0.00 Psi(or Omega) = 0.00 Chi(or Kapppa) = 0.00
----------------------------------------------------
Transformation from chain B to chain A
-0.2831 -0.2933E-01 0.9586
R = -0.9794E-01 -0.9934 -0.5933E-01
0.9541 -0.1107 0.2784
T = -4.653 71.23 7.868
DET(R) = 1.000
Phi = 174.92 Psi(or Omega) = 143.07 Chi(or Kapppa) = 177.54
----------------------------------------------------
Transformation from chain A to chain A
1.000 0.000 0.000
R = 0.000 1.000 0.000
0.000 0.000 1.000
T = 0.000 0.000 0.000
DET(R) = 1.000
Phi = 0.00 Psi(or Omega) = 0.00 Chi(or Kapppa) = 0.00
----------------------------------------------------
Transformation from chain B to chain A
-0.2825 -0.8337E-01 0.9556
R = -0.7266E-01 -0.9915 -0.1080
0.9565 -0.9994E-01 0.2740
T = -1.693 71.87 7.363
DET(R) = 1.000
Phi = -6.21 Psi(or Omega) = 37.05 Chi(or Kapppa) = 179.62
----------------------------------------------------
Transformation from chain A to chain A
1.000 0.000 0.000
R = 0.000 1.000 0.000
0.000 0.000 1.000
T = 0.000 0.000 0.000
DET(R) = 1.000
Phi = 0.00 Psi(or Omega) = 0.00 Chi(or Kapppa) = 0.00
----------------------------------------------------
Transformation from chain B to chain A
-0.2841 -0.6092E-01 0.9569
R = -0.6585E-01 -0.9944 -0.8286E-01
0.9565 -0.8655E-01 0.2785
T = -2.537 71.34 6.732
DET(R) = 1.000
Phi = -5.06 Psi(or Omega) = 36.91 Chi(or Kapppa) = 179.82
----------------------------------------------------
Limits of asymmetric unit : 1.00 1.00 0.50
Grid spacing to be used : 152 136 156
Maximuum H,K,L : 47 42 49
Minimum acceptable grid spacing: 108 97 112
w_average NaN
GRID VALUES:
7.6086953E-02 Angstrom for D
4.925000 Angstrom^2 for B
Norm of X_ray positional gradient 216.
Norm of Geom. positional gradient 96.3
Norm of X_ray B-factor gradient 0.115E+04
Norm of Geom. B-factor gradient 372.
Product of X_ray and Geom posit. gradients 0.233E+07
Cosine of angle between them 0.012
Product of X_ray and Geom B-fact gradients 0.759E+08
Cosine of angle between them 0.058
Residuals: XRAY= 0.2779E+07 GEOM= 0.4309E+05 TOTAL= 0.2822E+07
special position ----------- 3.608170
special position ----------- 2.868364
special position ----------- 3.009800
special position ----------- 3.894907
special position ----------- 1.902466
special position ----------- 2.484747
special position ----------- 2.156469
special position ----------- 3.857907
special position ----------- 2.527856
special position ----------- 0.9934261
special position ----------- 1.512631
special position ----------- 2.611492
-------------------------------------------------------------------------------
Restraint type N restraints Rms Delta Av(Sigma)
Bond distances: refined atoms 2142 0.023 0.021
Bond angles : refined atoms 2886 1.882 1.946
Torsion angles, period 1. refined 274 6.988 5.000
Torsion angles, period 2. refined 83 34.366 24.337
Torsion angles, period 3. refined 335 15.758 15.000
Torsion angles, period 4. refined 4 29.789 15.000
Chiral centres: refined atoms 301 0.137 0.200
Planar groups: refined atoms 1612 0.017 0.020
VDW repulsions: refined atoms 1111 0.356 7.910
VDW; torsion: refined atoms 1359 0.321 0.200
HBOND: refined atoms 55 0.158 0.200
Metal-ion: refined atoms 6 0.717 0.200
VDW repulsions; symmetry: refined atoms 34 0.674 6.059
HBOND; symmetry: refined atoms 3 0.387 0.200
Metal-ion; symmetry: refined atoms 6 0.541 0.200
M. chain bond B values: refined atoms 1379 5.235 1.500
M. chain angle B values: refined atoms 2172 6.200 2.000
S. chain bond B values: refined atoms 763 0.000 3.000
S. chain angle B values: refined atoms 714 0.000 4.500
NCS: medium positional, group 1 chain A 212 0.319 0.500
NCS: medium thermal , group 1 chain A 212 0.868 2.000
NCS: tight positional , group 2 chain A 48 0.087 0.050
NCS: medium positional, group 2 chain A 53 0.778 0.500
NCS: tight thermal , group 2 chain A 48 1.123 0.500
NCS: medium thermal , group 2 chain A 53 0.000 2.000
NCS: medium positional, group 3 chain A 65 0.332 0.500
NCS: medium thermal , group 3 chain A 65 0.383 2.000
NCS: medium positional, group 4 chain A 456 0.304 0.500
NCS: medium thermal , group 4 chain A 456 1.676 2.000
NCS: medium positional, group 5 chain A 96 0.314 0.500
NCS: medium thermal , group 5 chain A 96 0.952 2.000
-------------------------------------------------------------------------------
-----------------------------------------------------------------------------
Overall : scale = 1.211, B = -0.771
Babinet"s bulk solvent: scale = 0.740, B = 192.611
Overall anisotropic scale factors
B11 = -0.30 B22 = 0.23 B33 = -0.19 B12 = 0.00 B13 = -0.27 B23 = 0.00
-----------------------------------------------------------------------------
-----------------------------------------------------------------------------
**** Things for loggraph, R factor and others ****
$TABLE: Cycle 1. Rfactor analysis, F distribution v resln :
$GRAPHS:Cycle 1. <Rfactor> v. resln :N:1,6,7,11,12:
:Cycle 1. <Fobs> and <Fc> v. resln :N:1,4,5,9,10:
:Cycle 1. % observed v. resln :N:1,3:
$$
M(4SSQ/LL) NR_used %_obs M(Fo_used) M(Fc_used) Rf_used WR_used
NR_free M(Fo_free) M(Fc_free) Rf_free WR_free $$
$$
0.013 585 96.96 541.1 469.2 0.36 0.41 22 618.7 475.3 0.41 0.46
0.036 956 98.82 586.2 570.9 0.25 0.30 48 479.6 470.7 0.39 0.42
0.058 1210 99.22 675.3 653.3 0.20 0.24 70 721.8 665.4 0.27 0.32
0.080 1409 98.74 559.6 540.0 0.21 0.24 77 574.2 563.0 0.23 0.27
0.102 1574 98.93 456.9 428.8 0.23 0.26 92 442.0 442.6 0.26 0.32
0.124 1762 99.73 349.7 330.5 0.25 0.27 106 371.5 367.8 0.27 0.29
0.146 1888 99.90 295.5 280.4 0.25 0.27 118 299.0 284.7 0.31 0.33
0.168 2076 99.91 267.8 248.4 0.26 0.27 112 281.0 257.4 0.31 0.31
0.190 2181 99.96 236.6 219.4 0.27 0.27 117 238.1 206.2 0.30 0.30
0.212 2302 99.84 221.4 200.9 0.26 0.26 123 232.0 212.4 0.25 0.26
0.234 2413 100.00 191.8 174.2 0.27 0.27 140 197.2 174.7 0.31 0.32
0.257 2545 99.85 171.5 155.6 0.27 0.26 122 166.4 145.9 0.29 0.29
0.279 2628 99.71 145.2 133.1 0.28 0.27 141 150.2 131.8 0.30 0.29
0.301 2737 99.69 121.0 113.5 0.30 0.28 135 125.3 123.1 0.34 0.32
0.323 2823 99.50 103.0 99.1 0.31 0.28 139 101.6 102.2 0.33 0.30
0.345 2943 99.62 88.8 87.5 0.33 0.29 172 90.9 87.7 0.36 0.32
0.367 2981 99.37 78.0 77.2 0.33 0.29 157 76.3 73.9 0.39 0.35
0.389 3089 99.21 70.7 69.0 0.32 0.29 156 65.1 64.7 0.41 0.36
0.411 3177 99.11 61.8 63.1 0.34 0.30 160 58.5 59.9 0.36 0.33
0.433 2985 90.57 57.0 58.3 0.34 0.31 145 55.9 58.8 0.36 0.33
$$
**** Fom and SigmaA vs resolution ****
$TABLE: Cycle 1. Fom(<cos(DelPhi)>-acentric, centric, overall v resln:
$GRAPHS:Cycle 1. M(Fom) v. resln :N:1,3,5,7,8:
$$
<4SSQ/LL> NREFa FOMa NREFc FOMc NREFall FOMall SigmaA_Fc1 $$
$$
0.0135 517 0.836 68 0.595 585 0.808 0.568
0.0356 891 0.873 65 0.672 956 0.860 0.767
0.0577 1132 0.909 78 0.763 1210 0.899 0.879
0.0798 1340 0.900 69 0.777 1409 0.894 0.936
0.1019 1509 0.879 65 0.735 1574 0.873 0.962
0.1240 1688 0.851 74 0.626 1762 0.841 0.969
0.1461 1810 0.837 78 0.597 1888 0.827 0.967
0.1682 2002 0.835 74 0.715 2076 0.831 0.959
0.1903 2108 0.820 73 0.715 2181 0.816 0.948
0.2124 2229 0.824 73 0.647 2302 0.818 0.935
0.2345 2333 0.815 80 0.621 2413 0.808 0.922
0.2566 2466 0.814 79 0.676 2545 0.810 0.908
0.2787 2556 0.794 72 0.635 2628 0.790 0.894
0.3008 2670 0.770 67 0.650 2737 0.767 0.880
0.3229 2753 0.757 70 0.583 2823 0.752 0.866
0.3450 2868 0.747 75 0.672 2943 0.745 0.852
0.3671 2921 0.745 60 0.587 2981 0.742 0.838
0.3892 3019 0.740 70 0.621 3089 0.737 0.825
0.4113 3102 0.749 75 0.670 3177 0.747 0.812
0.4334 2936 0.762 49 0.626 2985 0.760 0.800
$$
Resolution limits = 20.220 1.500
Number of used reflections = 44264
Percentage observed = 98.8507
Percentage of free reflections = 5.0455
Overall R factor = 0.2632
Free R factor = 0.3017
Overall weighted R factor = 0.2767
Free weighted R factor = 0.3162
Overall correlation coefficient = 0.9234
Free correlation coefficient = 0.8952
Cruickshanks DPI for coordinate error= 0.1241
DPI based on free R factor = 0.1212
Overall figure of merit = 0.7926
-----------------------------------------------------------------------------
Trying gamma equal 0.0000000E+00
Trying gamma equal 5.0000001E-02
Trying gamma equal 0.1000000
Trying gamma equal 0.1500000
Trying gamma equal 0.2000000
Trying gamma equal 0.2500000
Trying gamma equal 0.3000000
Trying gamma equal 0.3500000
Trying gamma equal 0.4000000
Trying gamma equal 0.4500000
Trying gamma equal 0.5000001
Trying gamma equal 0.5500001
Trying gamma equal 0.6000001
Trying gamma equal 0.6500001
Trying gamma equal 0.7000001
Trying gamma equal 0.7500001
Trying gamma equal 0.8000001
Trying gamma equal 0.8500001
Trying gamma equal 0.9000002
Trying gamma equal 0.9500002
Trying gamma equal 1.000000
Trying gamma equal 1.050000
Trying gamma equal 1.100000
Trying gamma equal 1.150000
Trying gamma equal 1.200000
Trying gamma equal 1.250000
Trying gamma equal 1.300000
Trying gamma equal 1.350000
Trying gamma equal 1.400000
Trying gamma equal 1.450000
Trying gamma equal 1.500000
Trying gamma equal 1.550000
Trying gamma equal 1.600000
Trying gamma equal 1.649999
Trying gamma equal 1.699999
Trying gamma equal 1.749999
Trying gamma equal 1.799999
Trying gamma equal 1.849999
Trying gamma equal 1.899999
Trying gamma equal 1.949999
Trying gamma equal 1.999999
Trying gamma equal 2.049999
Trying gamma equal 2.099999
Trying gamma equal 2.149999
Trying gamma equal 2.199999
Trying gamma equal 2.249999
Trying gamma equal 2.299999
Trying gamma equal 2.349999
Trying gamma equal 2.399999
Trying gamma equal 2.449999
Trying gamma equal 2.499999
Trying gamma equal 2.549999
Trying gamma equal 2.599999
Trying gamma equal 2.649999
Trying gamma equal 2.699999
Trying gamma equal 2.749999
Trying gamma equal 2.799999
Trying gamma equal 2.849998
Trying gamma equal 2.899998
Trying gamma equal 2.949998
Trying gamma equal 2.999998
Trying gamma equal 3.049998
Trying gamma equal 3.099998
Trying gamma equal 3.149998
Trying gamma equal 3.199998
Trying gamma equal 3.249998
Trying gamma equal 3.299998
Trying gamma equal 3.349998
Trying gamma equal 3.399998
Trying gamma equal 3.449998
Trying gamma equal 3.499998
Trying gamma equal 3.549998
Trying gamma equal 3.599998
Trying gamma equal 3.649998
Trying gamma equal 3.699998
Trying gamma equal 3.749998
Trying gamma equal 3.799998
Trying gamma equal 3.849998
Trying gamma equal 3.899997
Trying gamma equal 3.949997
Trying gamma equal 3.999997
Trying gamma equal 4.049997
Trying gamma equal 4.099998
Trying gamma equal 4.149998
Trying gamma equal 4.199998
Trying gamma equal 4.249998
Trying gamma equal 4.299998
Trying gamma equal 4.349998
Trying gamma equal 4.399999
Trying gamma equal 4.449999
Trying gamma equal 4.499999
Trying gamma equal 4.549999
Trying gamma equal 4.599999
Trying gamma equal 4.650000
Trying gamma equal 4.700000
Trying gamma equal 4.750000
Trying gamma equal 4.800000
Trying gamma equal 4.850000
Trying gamma equal 4.900001
Trying gamma equal 4.950001
Trying gamma equal 5.000001
Trying gamma equal 5.050001
Trying gamma equal 5.100001
Trying gamma equal 5.150002
Trying gamma equal 5.200002
Trying gamma equal 5.250002
Trying gamma equal 5.300002
Trying gamma equal 5.350002
Trying gamma equal 5.400002
Trying gamma equal 5.450003
Trying gamma equal 5.500003
Trying gamma equal 5.550003
Trying gamma equal 5.600003
Trying gamma equal 5.650003
Trying gamma equal 5.700004
Trying gamma equal 5.750004
Trying gamma equal 5.800004
Trying gamma equal 5.850004
Trying gamma equal 5.900004
Trying gamma equal 5.950005
Trying gamma equal 6.000005
Trying gamma equal 6.050005
Trying gamma equal 6.100005
Trying gamma equal 6.150005
Trying gamma equal 6.200006
Trying gamma equal 6.250006
Trying gamma equal 6.300006
Trying gamma equal 6.350006
Trying gamma equal 6.400006
Trying gamma equal 6.450006
Trying gamma equal 6.500007
Trying gamma equal 6.550007
Trying gamma equal 6.600007
Trying gamma equal 6.650007
Trying gamma equal 6.700007
Trying gamma equal 6.750008
Trying gamma equal 6.800008
Trying gamma equal 6.850008
Trying gamma equal 6.900008
Trying gamma equal 6.950008
Trying gamma equal 7.000009
Trying gamma equal 7.050009
Trying gamma equal 7.100009
Trying gamma equal 7.150009
Trying gamma equal 7.200009
Trying gamma equal 7.250010
Trying gamma equal 7.300010
Trying gamma equal 7.350010
Trying gamma equal 7.400010
Trying gamma equal 7.450010
Trying gamma equal 7.500010
Trying gamma equal 7.550011
Trying gamma equal 7.600011
Trying gamma equal 7.650011
Trying gamma equal 7.700011
Trying gamma equal 7.750011
Trying gamma equal 7.800012
Trying gamma equal 7.850012
Trying gamma equal 7.900012
Trying gamma equal 7.950012
Trying gamma equal 8.000012
Trying gamma equal 8.050013
Trying gamma equal 8.100013
Trying gamma equal 8.150013
Trying gamma equal 8.200013
Trying gamma equal 8.250013
Trying gamma equal 8.300014
Trying gamma equal 8.350014
Trying gamma equal 8.400014
Trying gamma equal 8.450014
Trying gamma equal 8.500014
Trying gamma equal 8.550014
Trying gamma equal 8.600015
Trying gamma equal 8.650015
Trying gamma equal 8.700015
Trying gamma equal 8.750015
Trying gamma equal 8.800015
Trying gamma equal 8.850016
Trying gamma equal 8.900016
Trying gamma equal 8.950016
Trying gamma equal 9.000016
Trying gamma equal 9.050016
Trying gamma equal 9.100017
Trying gamma equal 9.150017
Trying gamma equal 9.200017
Trying gamma equal 9.250017
Trying gamma equal 9.300017
Trying gamma equal 9.350018
Trying gamma equal 9.400018
Trying gamma equal 9.450018
Trying gamma equal 9.500018
Trying gamma equal 9.550018
Trying gamma equal 9.600019
Trying gamma equal 9.650019
Trying gamma equal 9.700019
Trying gamma equal 9.750019
Trying gamma equal 9.800019
Trying gamma equal 9.850019
Trying gamma equal 9.900020
Trying gamma equal 9.950020
Trying gamma equal 10.00002
Trying gamma equal 10.05002
Trying gamma equal 10.10002
Trying gamma equal 10.15002
Trying gamma equal 10.20002
Trying gamma equal 10.25002
Trying gamma equal 10.30002
Trying gamma equal 10.35002
Trying gamma equal 10.40002
Trying gamma equal 10.45002
Trying gamma equal 10.50002
Trying gamma equal 10.55002
Trying gamma equal 10.60002
Trying gamma equal 10.65002
Trying gamma equal 10.70002
Trying gamma equal 10.75002
Trying gamma equal 10.80002
Trying gamma equal 10.85002
Trying gamma equal 10.90002
Trying gamma equal 10.95002
Trying gamma equal 11.00002
Trying gamma equal 11.05002
Trying gamma equal 11.10002
Trying gamma equal 11.15002
Trying gamma equal 11.20002
Trying gamma equal 11.25002
Trying gamma equal 11.30002
Trying gamma equal 11.35003
Trying gamma equal 11.40003
Trying gamma equal 11.45003
Trying gamma equal 11.50003
Trying gamma equal 11.55003
Trying gamma equal 11.60003
Trying gamma equal 11.65003
Trying gamma equal 11.70003
Trying gamma equal 11.75003
Trying gamma equal 11.80003
Trying gamma equal 11.85003
Trying gamma equal 11.90003
Trying gamma equal 11.95003
Trying gamma equal 12.00003
Trying gamma equal 12.05003
Trying gamma equal 12.10003
Trying gamma equal 12.15003
Trying gamma equal 12.20003
Trying gamma equal 12.25003
Trying gamma equal 12.30003
Trying gamma equal 12.35003
Trying gamma equal 12.40003
Trying gamma equal 12.45003
Trying gamma equal 12.50003
Trying gamma equal 12.55003
Trying gamma equal 12.60003
Trying gamma equal 12.65003
Trying gamma equal 12.70003
Trying gamma equal 12.75003
Trying gamma equal 12.80003
Trying gamma equal 12.85003
Trying gamma equal 12.90003
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