*HEADER    STRUCTURAL PROTEIN                      30-APR-08   2K3B              
*TITLE     SEEING THE INVISIBLE: STRUCTURES OF EXCITED PROTEIN STATES            
*TITLE    2 BY RELAXATION DISPERSION NMR                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACTIN-BINDING PROTEIN;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SH3 DOMAIN;                                                
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
*SOURCE   4 GENE: ABP1;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET32B                                     
*KEYWDS    CPMG, ABP1P, ARK1P, INVISIBLE STATE, NMR, ACETYLATION,                
*KEYWDS   2 ACTIN-BINDING, CYTOPLASM, CYTOSKELETON, PHOSPHOPROTEIN, SH3          
*KEYWDS   3 DOMAIN, STRUCTURAL PROTEIN                                           
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    P.VALLURUPALLI, F.D.HANSEN, L.E.KAY                                   
*REVDAT   1   29-JUL-08 2K3B    0                                                


! Remove 29
assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid   5  and name  HN )
       (resid   5  and name   N ) -13.887000  1.802000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid   6  and name  HN )
       (resid   6  and name   N ) -10.078000  3.416000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid   8  and name  HN )
       (resid   8  and name   N ) 17.460000  1.500000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid   9  and name  HN )
       (resid   9  and name   N ) 15.541000  1.500000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  10  and name  HN )
       (resid  10  and name   N ) -8.328000  1.500000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  11  and name  HN )
       (resid  11  and name   N ) -5.471000  1.969000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  12  and name  HN )
       (resid  12  and name   N ) -10.011000  1.602000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  13  and name  HN )
       (resid  13  and name   N ) -6.704000  1.770000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  14  and name  HN )
       (resid  14  and name   N ) 0.765000  1.500000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  15  and name  HN )
       (resid  15  and name   N ) 4.276000  1.681000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  16  and name  HN )
       (resid  16  and name   N ) -4.415000  1.500000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  17  and name  HN )
       (resid  17  and name   N ) -1.909000  1.500000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  18  and name  HN )
       (resid  18  and name   N ) -13.046000  1.500000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  19  and name  HN )
       (resid  19  and name   N ) -2.291000  1.893000


!assign ( resid 6000 and name OO )
!       (resid 6000 and name Z   )
!       (resid 6000 and name X   )
!       (resid 6000 and name Y   )
!       (resid  29  and name  HN )
!       (resid  29  and name   N ) 6.704000  2.884000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  30  and name  HN )
       (resid  30  and name   N ) -1.616000  1.500000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  31  and name  HN )
       (resid  31  and name   N ) 1.525000  1.823000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  33  and name  HN )
       (resid  33  and name   N ) 1.005000  1.500000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  34  and name  HN )
       (resid  34  and name   N ) -5.764000  2.547000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  35  and name  HN )
       (resid  35  and name   N ) 11.962000  1.500000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  36  and name  HN )
       (resid  36  and name   N ) 2.810000  1.500000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  37  and name  HN )
       (resid  37  and name   N ) 6.144000  1.500000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  49  and name  HN )
       (resid  49  and name   N ) 5.298000  1.500000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  50  and name  HN )
       (resid  50  and name   N ) -3.077000  3.970000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  52  and name  HN )
       (resid  52  and name   N ) 4.138000  1.500000


assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  53  and name  HN )
       (resid  53  and name   N ) 4.466000  1.500000




! theta is derived from Damax cos(theta) keep Da negative theta between 90 and 270
assign (resid  500 and name  PA1) (resid  500 and name Z)
       (resid  500 and name  OO) (resid  500 and name  X) 15.0   180.0    90.0  2
! Trp N-Hs corrected 
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  36  and name NE1 )
       ( resid  36  and name HE1 ) -11.6   1.50

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  37  and name NE1 )
       ( resid  37  and name HE1 )  7.15    1.53
xplor.requireVersion("2.19")

# refine random loop structures
# pv 1-24-08
# Changed fixed atoms 2-14-07

xplor.parseArguments() # check for typos on the command-line

pvfile=open('refine_wlooprest_peg.current')
structnumst=pvfile.readline()
pvfile.close()
structnum=int(structnumst)

structname = "refinedloop_"+str(structnum)
outFilename ="refined_wlooprest_peg/" + structname + "_STRUCTURE.pdb"
outFilestart =   "refined_wlooprest_peg/start/" + structname + ".pdb"
inFilename  = "random_loop_pdbs/rand_loop_"+str(structnum)+".pdb"

numberOfStructures=96

# Stop is structnum is more than 10
if ( structnum > 10):
    import sys
    sys.exit(12)



# protocol module has many high-level helper functions.
import protocol
protocol.initRandomSeed(5324+(structnum*652)) #explicitly set random seed

# annealing settings
command = xplor.command
protocol.initParams("protein")

# Read PSF from file
protocol.initStruct("abpsh3.psf")

#read PDB
protocol.initCoords(inFilename)
#protocol.initCoords("abpsh3_xplor_psfgenerate.pdb")

# a PotList conatins a list of potential terms. This is used to specify which
# terms are active during refinement.
from potList import PotList
potList = PotList()

# parameters to ramp up during the simulated annealing protocol
from simulationTools import MultRamp, StaticRamp, InitialParams, LinRamp
rampedParams=[]
highTempParams=[]

# orientation Tensor - used with the dipolar coupling term
#  one for each medium
#   For each medium, specify a name, and initial values of Da, Rh.
from varTensorTools import create_VarTensor

media={}
#                       medium  Da  Rh (are allowed to vary)
for (medium,Da,Rh) in [ ('pf1',   -10.0, 0.35),
                        ('peg',   -7.37, 0.605)]:
    oTensor = create_VarTensor(medium)
    oTensor.setDa(Da)
    oTensor.setRh(Rh)
    oTensor.setDaMax(20)                  # Set DaMax
    oTensor.setFreedom('varyDa,varyRh')
    media[medium] = oTensor
    pass

# dipolar coupling restraints for protein.
from rdcPotTools import create_RDCPot, scale_toNH
rdcs = PotList('rdc') 
for (medium,expt,file,                 scale) in \
    [('pf1','NH' , 'pf1_NH_scalephage_edit_scaleNH.tbl'   ,1),
     ('pf1','TRP' , 'pf1_TRP_scalephage_scaleNH.tbl' ,1),
     ('pf1','CAHA','pf1_CAHA_scalephage_scaleNH.tbl' ,1),
     ('pf1','HNC', 'pf1_HNCO_scalephage_scaleNH.tbl' ,1),
     ('peg', 'NH', 'cpmgpeg.tbl', 1),
     ('peg', 'TRP','cpmgpeg_TRP.tbl', 1),
     ]:
    rdc = create_RDCPot("%s_%s"%(medium,expt),file,media[medium])

    rdc.setScale(scale)
    rdc.setShowAllRestraints(1)
    rdc.setThreshold(2.0)       # in Hz
    rdc.setPotType("square")
    rdcs.append(rdc)
    pass
potList.append(rdcs)
rampedParams.append( MultRamp(0.002,0.4, "rdcs.setScale( VALUE )") )

# Csa file
from csaPotTools import create_CSAPot
csas = PotList("csa")
for (medium,expt,file,                 scale) in \
    [('pf1','CO', 'pf1_COcsa_scalephage_18off.tbl' ,1),
     ]:
    csa = create_CSAPot("%s_%s"%(medium,expt),file,media[medium])
    csa.setScale(scale)
    csa.setShowAllRestraints(1)
    csa.setThreshold(10.0)       # in ppb
    csa.setPotType("square")
    csas.append(csa)
    pass
potList.append(csas)
# rampedParams.append( MultRamp(0.00000333333333333333, 0.00066666666666666666, "csas.setScale( VALUE )") )
rampedParams.append( MultRamp(0.00005, 0.01, "csas.setScale( VALUE )") )
    
# calc initial Tensor orientation
from varTensorTools import calcTensorOrientation
for medium in media.values():
    calcTensorOrientation(medium)
    pass

# Set up dihedral angles
from xplorPot import XplorPot
# protocol.initDihedrals("talos_xplor_extra_wval_nottight.tab",useDefaults=0)
protocol.initDihedrals(["loop1/loop1_restraints.tbl","loop2_no31/loop2_no31_restraints.tbl","loop3/loop3_restraints.tbl","Da_pos_dihed.tbl"],useDefaults=0)
potList.append( XplorPot('CDIH') )
highTempParams.append( StaticRamp("potList['CDIH'].setScale(5)") )
#rampedParams.append( StaticRamp("potList['CDIH'].setScale(400)") )
#rampedParams.append( LinRamp(10,400, "potList['CDIH'].setScale( VALUE )") )
rampedParams.append( MultRamp(5,400, "potList['CDIH'].setScale( VALUE )") )

# set custom values of threshold values for violation calculation
potList['CDIH'].setThreshold( 10 ) #5 degrees is the default value, though

#Rama torsion angle database
protocol.initRamaDatabase()
potList.append( XplorPot('RAMA') )
rampedParams.append( MultRamp(.002,1,"potList['RAMA'].setScale(VALUE)") )




potList.append( XplorPot("BOND") )
potList.append( XplorPot("ANGL") )
potList['ANGL'].setThreshold( 5 )
rampedParams.append( MultRamp(0.4,1,"potList['ANGL'].setScale(VALUE)") )
potList.append( XplorPot("IMPR") )
potList['IMPR'].setThreshold( 5 )
rampedParams.append( MultRamp(0.1,1,"potList['IMPR'].setScale(VALUE)") )

# Set up LJ
from xplorSimulation import getXplorSimulation
def initLJ(wmin=0.01,
           tolerance=0.5,
           nbxmod=3,
           cutnb=10,
           ctonnb=8,
           ctofnb=9,
           selStr="known",
           onlyCA=0,
           simulation=0):
    """standard initialization of the non-bonded repel potential. The XPLOR
    nonbonded potential term is described 

    note that cutnb should be greater than rmax + 2*tolerance, where rmax
    is the largest vdw radius.
 
    """

    noSelStr="resname ANI" #exclude these nonbonded interactions

    if onlyCA: selStr="name CA"

    xSim = getXplorSimulation(simulation)

    xSim.command("""     
          constraints
            interaction (%s and (not (%s))) (%s and (not (%s)))
            weights * 1 vdw 1 end 
            interaction  (not (%s) and (not (%s))) (not (%s))
            weights * 1 vdw 0 end 
          end""" % (selStr,noSelStr,selStr,noSelStr,selStr,noSelStr,noSelStr) )

        
    xSim.command("""
    parameters
    nbonds
    atom
    wmin  =   %f   ! warning off
    tolerance = %f
    nbxmod =  %d
    cutnb =   %f   ! nonbonded cutoff
    ctonnb = %f    ! switching on
    ctofnb = %f    ! switching off
    rdie
    vswitch
    switch  
    end
    end 
    """ % (wmin,tolerance,nbxmod,cutnb,ctonnb,ctofnb) )

potList.append( XplorPot('VDW') )
rampedParams.append( StaticRamp("initLJ()") )

# Give atoms uniform weights, except for the anisotropy axis
from atomAction import SetProperty
import varTensorTools
AtomSel("not resname ANI").apply( SetProperty("mass",100.) )
varTensorTools.massSetup(media.values(),300)
AtomSel("all            ").apply( SetProperty("fric",10.) )


# IVM setup
from ivm import IVM
dyn = IVM()
dyn.reset()
dyn.fix(AtomSel("resid 2:4 or resid 20:28 or resid 41:47 or resid 57:59"))

for m in media.values():
    m.setFreedom("varyDa, varyRh")      #vary tensor Rh, Da, vary orientation
protocol.torsionTopology(dyn,oTensors=media.values())


# object which performs simulated annealing
from simulationTools import AnnealIVM
init_t  = 5000.     # Need high temp and slow annealing to converge
cool = AnnealIVM(initTemp =init_t,
                 finalTemp=25,
                 tempStep =12.5,
                 ivm=dyn,rampedParams = rampedParams)


# minc used for final cartesian minimization
# minc = IVM()
# minc.fix(AtomSel("resid 2:4 or resid 20:28 or resid 41:47 or resid 57:59"))
# protocol.initMinimize(minc)

# for m in media.values():
#    m.setFreedom("varyDa, varyRh")    #allow all tensor parameters float here
#    pass
# protocol.cartesianTopology(minc,oTensors=media.values())




def accept(potList):
    """
    return True if current structure meets acceptance criteria
    """
#    if potList['CDIH'].violations()>0:
#        return False
    return True

from pdbTool import PDBTool

def calcOneStructure(loopInfo):
    # initialize parameters for high temp dynamics.
    InitialParams( rampedParams )
    #  command("restraints dihedral scale=25. end")
    
    # high temp dynamics
    protocol.initDynamics(dyn,
                          potList=potList, # potential terms to use
                          bathTemp=init_t,
                          initVelocities=1,
                          finalTime=100,    # stops at 100ps 
                          printInterval=1000)

    
    dyn.setETolerance( init_t/100 )  #used to det. stepsize. default: t/1000 
    dyn.run()
    
    # initialize integrator for simulated annealing
    protocol.initDynamics(dyn,
                          potList=potList,
                          finalTime=2.0 ,       # 2ps
                          printInterval=100)
    
    # perform simulated annealing
    cool.run()
    
    # final torsion angle minimization
    # protocol.initMinimize(dyn,printInterval=50)
    # dyn.run()

    
    # final all- atom minimization
    # protocol.initMinimize(minc, potList=potList, dEPred=10)
    # minc.run()
    
    
    # do analysis and write structure
    loopInfo.writeStructure(potList)
    pass


# Write starting structure
PDBTool(outFilestart).write()
    



from simulationTools import StructureLoop, FinalParams
StructureLoop(numStructures=numberOfStructures,
              pdbTemplate=outFilename,
              structLoopAction=calcOneStructure,
              genViolationStats=1).run()





!Residue 5 PHI
assign (resid   4 and name  C) (resid   5 and name  N)
       (resid   5 and name CA) (resid   5 and name  C) 1.0   -114.870000   30.000000  2
!Residue 5 PSI
assign (resid   5 and name  N) (resid   5 and name  CA)
       (resid   5 and name C) (resid   6 and name  N) 1.0   132.960000   30.000000  2

!Residue 6 PHI
assign (resid   5 and name  C) (resid   6 and name  N)
       (resid   6 and name CA) (resid   6 and name  C) 1.0   -67.560000   30.000000  2
!Residue 6 PSI
assign (resid   6 and name  N) (resid   6 and name  CA)
       (resid   6 and name C) (resid   7 and name  N) 1.0   127.500000   31.340000  2

!Residue 7 PHI
assign (resid   6 and name  C) (resid   7 and name  N)
       (resid   7 and name CA) (resid   7 and name  C) 1.0   -89.800000   37.740000  2
!Residue 7 PSI
assign (resid   7 and name  N) (resid   7 and name  CA)
       (resid   7 and name C) (resid   8 and name  N) 1.0   -34.250000   30.000000  2

!Residue 8 PHI
assign (resid   7 and name  C) (resid   8 and name  N)
       (resid   8 and name CA) (resid   8 and name  C) 1.0   -131.100000   30.000000  2
!Residue 8 PSI
assign (resid   8 and name  N) (resid   8 and name  CA)
       (resid   8 and name C) (resid   9 and name  N) 1.0   149.080000   30.000000  2

!Residue 9 PHI
assign (resid   8 and name  C) (resid   9 and name  N)
       (resid   9 and name CA) (resid   9 and name  C) 1.0   -71.420000   30.000000  2
!Residue 9 PSI
assign (resid   9 and name  N) (resid   9 and name  CA)
       (resid   9 and name C) (resid   10 and name  N) 1.0   119.070000   45.120000  2

!No Restraint for Residue 10

!Residue 11 PHI
assign (resid   10 and name  C) (resid   11 and name  N)
       (resid   11 and name CA) (resid   11 and name  C) 1.0   -110.010000   30.000000  2
!Residue 11 PSI
assign (resid   11 and name  N) (resid   11 and name  CA)
       (resid   11 and name C) (resid   12 and name  N) 1.0   128.300000   30.000000  2

!Residue 12 PHI
assign (resid   11 and name  C) (resid   12 and name  N)
       (resid   12 and name CA) (resid   12 and name  C) 1.0   -57.120000   30.000000  2
!Residue 12 PSI
assign (resid   12 and name  N) (resid   12 and name  CA)
       (resid   12 and name C) (resid   13 and name  N) 1.0   132.490000   30.000000  2

!Residue 13 PHI
assign (resid   12 and name  C) (resid   13 and name  N)
       (resid   13 and name CA) (resid   13 and name  C) 1.0   -107.230000   30.000000  2
!Residue 13 PSI
assign (resid   13 and name  N) (resid   13 and name  CA)
       (resid   13 and name C) (resid   14 and name  N) 1.0   -0.160000   30.000000  2

!Residue 14 PHI
assign (resid   13 and name  C) (resid   14 and name  N)
       (resid   14 and name CA) (resid   14 and name  C) 1.0   -129.760000   30.000000  2
!Residue 14 PSI
assign (resid   14 and name  N) (resid   14 and name  CA)
       (resid   14 and name C) (resid   15 and name  N) 1.0   171.450000   30.000000  2

!Residue 15 PHI
assign (resid   14 and name  C) (resid   15 and name  N)
       (resid   15 and name CA) (resid   15 and name  C) 1.0   -75.040000   30.000000  2
!Residue 15 PSI
assign (resid   15 and name  N) (resid   15 and name  CA)
       (resid   15 and name C) (resid   16 and name  N) 1.0   -25.200000   30.000000  2

!Residue 16 PHI
assign (resid   15 and name  C) (resid   16 and name  N)
       (resid   16 and name CA) (resid   16 and name  C) 1.0   -99.750000   30.000000  2
!Residue 16 PSI
assign (resid   16 and name  N) (resid   16 and name  CA)
       (resid   16 and name C) (resid   17 and name  N) 1.0   11.280000   30.000000  2

!Residue 17 PHI
assign (resid   16 and name  C) (resid   17 and name  N)
       (resid   17 and name CA) (resid   17 and name  C) 1.0   -103.050000   30.000000  2
!Residue 17 PSI
assign (resid   17 and name  N) (resid   17 and name  CA)
       (resid   17 and name C) (resid   18 and name  N) 1.0   144.120000   30.000000  2

!Residue 18 PHI
assign (resid   17 and name  C) (resid   18 and name  N)
       (resid   18 and name CA) (resid   18 and name  C) 1.0   -80.390000   30.000000  2
!Residue 18 PSI
assign (resid   18 and name  N) (resid   18 and name  CA)
       (resid   18 and name C) (resid   19 and name  N) 1.0   142.960000   30.000000  2

!Residue 19 PHI
assign (resid   18 and name  C) (resid   19 and name  N)
       (resid   19 and name CA) (resid   19 and name  C) 1.0   -106.430000   30.000000  2
!Residue 19 PSI
assign (resid   19 and name  N) (resid   19 and name  CA)
       (resid   19 and name C) (resid   20 and name  N) 1.0   127.540000   30.000000  2

!Residue 29 PHI
assign (resid   28 and name  C) (resid   29 and name  N)
       (resid   29 and name CA) (resid   29 and name  C) 1.0   -72.930000   30.000000  2
!Residue 29 PSI
assign (resid   29 and name  N) (resid   29 and name  CA)
       (resid   29 and name C) (resid   30 and name  N) 1.0   126.140000   30.000000  2

!Residue 30 PHI
assign (resid   29 and name  C) (resid   30 and name  N)
       (resid   30 and name CA) (resid   30 and name  C) 1.0   -115.540000   30.000000  2
!Residue 30 PSI
assign (resid   30 and name  N) (resid   30 and name  CA)
       (resid   30 and name C) (resid   31 and name  N) 1.0   135.150000   30.000000  2

!Residue 31 PHI
assign (resid   30 and name  C) (resid   31 and name  N)
       (resid   31 and name CA) (resid   31 and name  C) 1.0   -87.190000   30.000000  2
!Residue 31 PSI
assign (resid   31 and name  N) (resid   31 and name  CA)
       (resid   31 and name C) (resid   32 and name  N) 1.0   61.910000   30.000000  2

!Residue 32 PHI
assign (resid   31 and name  C) (resid   32 and name  N)
       (resid   32 and name CA) (resid   32 and name  C) 1.0   -63.320000   30.000000  2
!Residue 32 PSI
assign (resid   32 and name  N) (resid   32 and name  CA)
       (resid   32 and name C) (resid   33 and name  N) 1.0   -45.400000   30.000000  2

!Residue 33 PHI
assign (resid   32 and name  C) (resid   33 and name  N)
       (resid   33 and name CA) (resid   33 and name  C) 1.0   -116.670000   30.000000  2
!Residue 33 PSI
assign (resid   33 and name  N) (resid   33 and name  CA)
       (resid   33 and name C) (resid   34 and name  N) 1.0   155.870000   30.000000  2

!Residue 34 PHI
assign (resid   33 and name  C) (resid   34 and name  N)
       (resid   34 and name CA) (resid   34 and name  C) 1.0   -63.720000   30.000000  2
!Residue 34 PSI
assign (resid   34 and name  N) (resid   34 and name  CA)
       (resid   34 and name C) (resid   35 and name  N) 1.0   -35.200000   30.000000  2

!Residue 35 PHI
assign (resid   34 and name  C) (resid   35 and name  N)
       (resid   35 and name CA) (resid   35 and name  C) 1.0   -96.130000   30.000000  2
!Residue 35 PSI
assign (resid   35 and name  N) (resid   35 and name  CA)
       (resid   35 and name C) (resid   36 and name  N) 1.0   -38.180000   30.000000  2

!Residue 36 PHI
assign (resid   35 and name  C) (resid   36 and name  N)
       (resid   36 and name CA) (resid   36 and name  C) 1.0   -115.650000   30.000000  2
!Residue 36 PSI
assign (resid   36 and name  N) (resid   36 and name  CA)
       (resid   36 and name C) (resid   37 and name  N) 1.0   145.210000   30.000000  2

!Residue 37 PHI
assign (resid   36 and name  C) (resid   37 and name  N)
       (resid   37 and name CA) (resid   37 and name  C) 1.0   -119.220000   30.000000  2
!Residue 37 PSI
assign (resid   37 and name  N) (resid   37 and name  CA)
       (resid   37 and name C) (resid   38 and name  N) 1.0   147.900000   30.000000  2

!Residue 38 PHI
assign (resid   37 and name  C) (resid   38 and name  N)
       (resid   38 and name CA) (resid   38 and name  C) 1.0   -83.160000   30.000000  2
!Residue 38 PSI
assign (resid   38 and name  N) (resid   38 and name  CA)
       (resid   38 and name C) (resid   39 and name  N) 1.0   138.100000   30.000000  2

!Residue 39 PHI
assign (resid   38 and name  C) (resid   39 and name  N)
       (resid   39 and name CA) (resid   39 and name  C) 1.0   -155.670000   30.000000  2
!Residue 39 PSI
assign (resid   39 and name  N) (resid   39 and name  CA)
       (resid   39 and name C) (resid   40 and name  N) 1.0   168.090000   30.000000  2

!Residue 40 PHI
assign (resid   39 and name  C) (resid   40 and name  N)
       (resid   40 and name CA) (resid   40 and name  C) 1.0   -124.910000   30.000000  2
!Residue 40 PSI
assign (resid   40 and name  N) (resid   40 and name  CA)
       (resid   40 and name C) (resid   41 and name  N) 1.0   139.160000   30.000000  2

!Residue 48 PHI
assign (resid   47 and name  C) (resid   48 and name  N)
       (resid   48 and name CA) (resid   48 and name  C) 1.0   170.260000   30.000000  2
!Residue 48 PSI
assign (resid   48 and name  N) (resid   48 and name  CA)
       (resid   48 and name C) (resid   49 and name  N) 1.0   -159.760000   30.000000  2

!Residue 49 PHI
assign (resid   48 and name  C) (resid   49 and name  N)
       (resid   49 and name CA) (resid   49 and name  C) 1.0   -87.420000   30.000000  2
!Residue 49 PSI
assign (resid   49 and name  N) (resid   49 and name  CA)
       (resid   49 and name C) (resid   50 and name  N) 1.0   136.450000   30.000000  2

!Residue 50 PHI
assign (resid   49 and name  C) (resid   50 and name  N)
       (resid   50 and name CA) (resid   50 and name  C) 1.0   -134.880000   30.000000  2
!Residue 50 PSI
assign (resid   50 and name  N) (resid   50 and name  CA)
       (resid   50 and name C) (resid   51 and name  N) 1.0   124.360000   30.000000  2

!Residue 51 PHI
assign (resid   50 and name  C) (resid   51 and name  N)
       (resid   51 and name CA) (resid   51 and name  C) 1.0   -65.070000   30.000000  2
!Residue 51 PSI
assign (resid   51 and name  N) (resid   51 and name  CA)
       (resid   51 and name C) (resid   52 and name  N) 1.0   141.810000   30.000000  2

!Residue 52 PHI
assign (resid   51 and name  C) (resid   52 and name  N)
       (resid   52 and name CA) (resid   52 and name  C) 1.0   -69.360000   30.000000  2
!Residue 52 PSI
assign (resid   52 and name  N) (resid   52 and name  CA)
       (resid   52 and name C) (resid   53 and name  N) 1.0   -34.810000   30.000000  2

!Residue 53 PHI
assign (resid   52 and name  C) (resid   53 and name  N)
       (resid   53 and name CA) (resid   53 and name  C) 1.0   -67.240000   30.000000  2
!Residue 53 PSI
assign (resid   53 and name  N) (resid   53 and name  CA)
       (resid   53 and name C) (resid   54 and name  N) 1.0   -21.640000   30.000000  2

!Residue 54 PHI
assign (resid   53 and name  C) (resid   54 and name  N)
       (resid   54 and name CA) (resid   54 and name  C) 1.0   -78.700000   30.000000  2
!Residue 54 PSI
assign (resid   54 and name  N) (resid   54 and name  CA)
       (resid   54 and name C) (resid   55 and name  N) 1.0   -3.980000   49.800000  2

!Residue 55 PHI
assign (resid   54 and name  C) (resid   55 and name  N)
       (resid   55 and name CA) (resid   55 and name  C) 1.0   -136.000000   30.000000  2
!Residue 55 PSI
assign (resid   55 and name  N) (resid   55 and name  CA)
       (resid   55 and name C) (resid   56 and name  N) 1.0   155.070000   30.000000  2

!Residue 56 PHI
assign (resid   55 and name  C) (resid   56 and name  N)
       (resid   56 and name CA) (resid   56 and name  C) 1.0   -126.760000   30.000000  2
!Residue 56 PSI
assign (resid   56 and name  N) (resid   56 and name  CA)
       (resid   56 and name C) (resid   57 and name  N) 1.0   131.300000   30.000000  2

! Removed 13 CA-HA
! Added D33 CA-HA
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   5  and name CA   )
       ( resid   5  and name HA  ) 7.903682  3.459728

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   8  and name CA   )
       ( resid   8  and name HA  ) -8.198385  3.768964

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  10  and name CA   )
       ( resid  10  and name HA  ) -11.500669  3.229618

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  12  and name CA   )
       ( resid  12  and name HA  ) 12.732769  3.953860

!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid  13  and name CA   )
!       ( resid  13  and name HA  ) 2.445628  3.460536

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  14  and name CA   )
       ( resid  14  and name HA  ) 3.871504  4.357562

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  15  and name CA   )
       ( resid  15  and name HA  ) 3.911875  3.229618

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  17  and name CA   )
       ( resid  17  and name HA  ) 12.132060  3.353151

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  20  and name CA   )
       ( resid  20  and name HA  ) 9.034049  3.446810

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  30  and name CA   )
       ( resid  30  and name HA  ) 4.351910  3.229618

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  33  and name CA   )
       ( resid  33  and name HA  ) -0.08  3.307455

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  34  and name CA   )
       ( resid  34  and name HA  ) -9.035663  3.229618

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  36  and name CA   )
       ( resid  36  and name HA  ) -4.053170  3.229618

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  37  and name CA   )
       ( resid  37  and name HA  ) 4.183970  3.229618

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  50  and name CA   )
       ( resid  50  and name HA  ) 2.845293  3.229618

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  53  and name CA   )
       ( resid  53  and name HA  ) 12.327452  3.229618

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  54  and name CA   )
       ( resid  54  and name HA  ) -20.472548  3.531587

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   6  and name C   )
       ( resid   6  and name O   )
       ( resid   7  and name N   ) -48.529412  10.000000  10.000000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   7  and name C   )
       ( resid   7  and name O   )
       ( resid   8  and name N   ) -17.254902  10.000000  10.000000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   8  and name C   )
       ( resid   8  and name O   )
       ( resid   9  and name N   ) 19.052288  10.000000  10.000000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   9  and name C   )
       ( resid   9  and name O   )
       ( resid  10  and name N   ) -23.006536  10.000000  10.000000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  13  and name C   )
       ( resid  13  and name O   )
       ( resid  14  and name N   ) -69.738562  10.000000  10.000000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  15  and name C   )
       ( resid  15  and name O   )
       ( resid  16  and name N   ) 30.555556  10.000000  10.000000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  31  and name C   )
       ( resid  31  and name O   )
       ( resid  32  and name N   ) 60.392157  10.000000  10.000000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  32  and name C   )
       ( resid  32  and name O   )
       ( resid  33  and name N   ) -36.307190  20.130719  20.130719

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  34  and name C   )
       ( resid  34  and name O   )
       ( resid  35  and name N   ) 4.673203  10.000000  10.000000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  36  and name C   )
       ( resid  36  and name O   )
       ( resid  37  and name N   ) -48.888889  10.000000  10.000000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  37  and name C   )
       ( resid  37  and name O   )
       ( resid  38  and name N   ) -15.816993  10.000000  10.000000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  52  and name C   )
       ( resid  52  and name O   )
       ( resid  53  and name N   ) -90.228758  10.000000  10.000000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  53  and name C   )
       ( resid  53  and name O   )
       ( resid  54  and name N   ) 34.869281  10.000000  10.000000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  54  and name C   )
       ( resid  54  and name O   )
       ( resid  55  and name N   ) 6.470588  10.000000  10.000000

! added F20 D24 and S46
assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  20  and name C    )
       ( resid  21  and name HN  ) 1.93  2.95


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  24  and name C    )
       ( resid  25  and name HN  ) -6.02  3.52


assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  46  and name C    )
       ( resid  47  and name HN  ) 3.3  3.066




assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   6  and name C    )
       ( resid   7  and name HN  ) 7.042493  3.402445

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   7  and name C    )
       ( resid   8  and name HN  ) 2.658458  4.295470

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   8  and name C    )
       ( resid   9  and name HN  ) -9.154187  3.402445

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   9  and name C    )
       ( resid  10  and name HN  ) -9.852751  3.402445

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  12  and name C    )
       ( resid  13  and name HN  ) 12.819709  3.402445

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  13  and name C    )
       ( resid  14  and name HN  ) -9.058220  3.402445

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  15  and name C    )
       ( resid  16  and name HN  ) 14.871792  3.834512

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  22  and name C    )
       ( resid  23  and name HN  ) 12.559330  4.249573

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  31  and name C    )
       ( resid  32  and name HN  ) 7.599500  3.402445

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  34  and name C    )
       ( resid  35  and name HN  ) 10.293348  3.402445

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  36  and name C    )
       ( resid  37  and name HN  ) 4.083306  3.856278

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  37  and name C    )
       ( resid  38  and name HN  ) -16.867450  3.402445

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  47  and name C    )
       ( resid  48  and name HN  ) 10.844880  3.402445

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  48  and name C    )
       ( resid  49  and name HN  ) 0.938677  3.402445

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  52  and name C    )
       ( resid  53  and name HN  ) -7.669380  3.471231

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  53  and name C    )
       ( resid  54  and name HN  ) -6.802148  3.402445

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  54  and name C    )
       ( resid  55  and name HN  ) 6.280084  3.402445

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  55  and name C    )
       ( resid  56  and name HN  ) 5.123624  3.402445

! Removed RDCS for 3 23  29
! add 26 37
!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid   3  and name N   )
!       ( resid   3  and name HN  ) 13.900000  4.100000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   5  and name N   )
       ( resid   5  and name HN  ) 10.500000  1.500000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   8  and name N   )
       ( resid   8  and name HN  ) -10.800000  1.500000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid   9  and name N   )
       ( resid   9  and name HN  ) -17.000000  1.700000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  10  and name N   )
       ( resid  10  and name HN  ) -8.100000  1.500000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  11  and name N   )
       ( resid  11  and name HN  ) -7.900000  1.600000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  12  and name N   )
       ( resid  12  and name HN  ) -0.300000  2.100000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  13  and name N   )
       ( resid  13  and name HN  ) 9.700000  1.800000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  14  and name N   )
       ( resid  14  and name HN  ) 4.500000  1.500000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  15  and name N   )
       ( resid  15  and name HN  ) 12.100000  2.700000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  16  and name N   )
       ( resid  16  and name HN  ) -4.900000  1.500000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  17  and name N   )
       ( resid  17  and name HN  ) 7.000000  1.500000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  18  and name N   )
       ( resid  18  and name HN  ) 13.700000  1.500000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  19  and name N   )
       ( resid  19  and name HN  ) -10.300000  1.500000

!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid  23  and name N   )
!       ( resid  23  and name HN  ) 11.500000  4.600000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  26  and name N   )
       ( resid  26  and name HN  ) 5.700000  4.000000

!assign ( resid 600  and name OO  )
!       ( resid 600  and name Z   )
!       ( resid 600  and name X   )
!       ( resid 600  and name Y   )
!       ( resid  29  and name N   )
!       ( resid  29  and name HN  ) 5.700000  3.300000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  30  and name N   )
       ( resid  30  and name HN  ) 3.000000  1.500000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  31  and name N   )
       ( resid  31  and name HN  ) -8.200000  2.300000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  33  and name N   )
       ( resid  33  and name HN  ) 2.100000  1.700000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  34  and name N   )
       ( resid  34  and name HN  ) 6.700000  3.800000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  35  and name N   )
       ( resid  35  and name HN  ) 5.500000  1.500000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  36  and name N   )
       ( resid  36  and name HN  ) 4.300000  1.600000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  37  and name N   )
       ( resid  37  and name HN  ) -5.000000  2.700000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  49  and name N   )
       ( resid  49  and name HN  ) 8.900000  1.500000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  52  and name N   )
       ( resid  52  and name HN  ) 5.200000  1.500000

assign ( resid 600  and name OO  )
       ( resid 600  and name Z   )
       ( resid 600  and name X   )
       ( resid 600  and name Y   )
       ( resid  53  and name N   )
       ( resid  53  and name HN  ) 6.000000  1.500000

! Corrected for TRP 
assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  36  and name  HE1 )
       (resid  36  and name  NE1 ) -2.5  1.500000

assign ( resid 6000 and name OO )
       (resid 6000 and name Z   )
       (resid 6000 and name X   )
       (resid 6000 and name Y   )
       (resid  37  and name  HE1 )
       (resid  37  and name  NE1 ) -13.5  1.500000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ALA   1           H        ALA   1  -1.710  -5.098 -14.038
    2    HA   ALA   1           HA       ALA   1  -0.625  -4.754 -11.311
    3    HB1  ALA   1           HB1      ALA   1  -0.178  -3.247 -13.891
    4    HB2  ALA   1           HB2      ALA   1   0.969  -4.333 -13.106
    5    HB3  ALA   1           HB3      ALA   1   0.511  -2.818 -12.326
    6    HA   PRO   2           HA       PRO   2  -4.679  -2.394 -11.450
    7    HB2  PRO   2           HB2      PRO   2  -5.710  -3.416  -9.195
    8    HB3  PRO   2           HB3      PRO   2  -5.687  -4.406 -10.671
    9    HG2  PRO   2           HG2      PRO   2  -3.842  -4.452  -8.336
   10    HG3  PRO   2           HG3      PRO   2  -4.597  -5.802  -9.207
   11    HD2  PRO   2           HD2      PRO   2  -2.042  -4.920  -9.680
   12    HD3  PRO   2           HD3      PRO   2  -3.039  -5.772 -10.875
   13    H    TRP   3           H        TRP   3  -5.462  -0.946  -9.695
   14    HA   TRP   3           HA       TRP   3  -3.394  -0.132  -7.778
   15    HD1  TRP   3           HD1      TRP   3  -5.380   1.456 -11.435
   16    HE1  TRP   3           HE1      TRP   3  -7.733   2.440 -11.765
   17    HE3  TRP   3           HE3      TRP   3  -6.481   2.662  -6.605
   18    HZ2  TRP   3           HZ2      TRP   3  -9.789   3.528 -10.226
   19    HZ3  TRP   3           HZ3      TRP   3  -8.666   3.682  -6.130
   20    HH2  TRP   3           HH2      TRP   3 -10.282   4.106  -7.911
   21    HB2  TRP   3           HB2      TRP   3  -4.283   2.133  -7.839
   22    HB3  TRP   3           HB3      TRP   3  -3.641   1.635  -9.385
   23    H    ALA   4           H        ALA   4  -4.342   0.895  -5.843
   24    HA   ALA   4           HA       ALA   4  -6.957  -0.165  -5.071
   25    HB1  ALA   4           HB1      ALA   4  -5.116  -1.816  -4.529
   26    HB2  ALA   4           HB2      ALA   4  -6.069  -1.276  -3.147
   27    HB3  ALA   4           HB3      ALA   4  -4.462  -0.605  -3.426
   28    H    THR   5           H        THR   5  -7.629   0.620  -2.973
   29    HA   THR   5           HA       THR   5  -6.758   3.392  -2.456
   30    HB   THR   5           HB       THR   5  -9.007   3.429  -1.155
   31    HG1  THR   5           HG1      THR   5  -9.314   1.117  -2.795
   32   HG21  THR   5          HG21      THR   5  -8.653   3.311  -4.115
   33   HG22  THR   5          HG22      THR   5  -9.148   4.665  -3.099
   34   HG23  THR   5          HG23      THR   5 -10.292   3.374  -3.469
   35    H    ALA   6           H        ALA   6  -6.805   4.005  -0.120
   36    HA   ALA   6           HA       ALA   6  -5.538   1.877   1.445
   37    HB1  ALA   6           HB1      ALA   6  -5.647   4.869   1.627
   38    HB2  ALA   6           HB2      ALA   6  -4.239   3.812   1.517
   39    HB3  ALA   6           HB3      ALA   6  -5.158   3.904   3.020
   40    H    GLU   7           H        GLU   7  -6.874   0.670   2.573
   41    HA   GLU   7           HA       GLU   7  -9.479   1.507   3.437
   42    HB2  GLU   7           HB2      GLU   7  -7.747  -0.845   4.150
   43    HB3  GLU   7           HB3      GLU   7  -9.391  -0.635   4.715
   44    HG2  GLU   7           HG2      GLU   7 -10.214  -0.728   2.437
   45    HG3  GLU   7           HG3      GLU   7  -8.572  -0.819   1.820
   46    H    TYR   8           H        TYR   8  -6.353   1.027   5.075
   47    HA   TYR   8           HA       TYR   8  -7.297   2.658   7.347
   48    HD1  TYR   8           HD1      TYR   8  -7.440  -1.212   6.431
   49    HD2  TYR   8           HD2      TYR   8  -8.380   1.037   9.915
   50    HE1  TYR   8           HE1      TYR   8  -9.484  -2.538   6.700
   51    HE2  TYR   8           HE2      TYR   8 -10.451  -0.316  10.205
   52    HH   TYR   8           HH       TYR   8 -11.658  -2.289   7.696
   53    HB2  TYR   8           HB2      TYR   8  -5.731   0.063   7.572
   54    HB3  TYR   8           HB3      TYR   8  -6.140   1.129   8.903
   55    H    ASP   9           H        ASP   9  -5.469   3.638   8.471
   56    HA   ASP   9           HA       ASP   9  -3.376   4.546   6.734
   57    HB2  ASP   9           HB2      ASP   9  -4.185   5.893   8.684
   58    HB3  ASP   9           HB3      ASP   9  -3.556   4.668   9.762
   59    H    TYR  10           H        TYR  10  -1.324   3.681   6.527
   60    HA   TYR  10           HA       TYR  10  -0.498   1.581   8.412
   61    HD1  TYR  10           HD1      TYR  10   0.142  -0.943   8.239
   62    HD2  TYR  10           HD2      TYR  10   2.226   1.034   5.115
   63    HE1  TYR  10           HE1      TYR  10   2.157  -2.186   8.817
   64    HE2  TYR  10           HE2      TYR  10   4.252  -0.232   5.683
   65    HH   TYR  10           HH       TYR  10   5.009  -2.093   6.879
   66    HB2  TYR  10           HB2      TYR  10  -1.076   0.332   6.401
   67    HB3  TYR  10           HB3      TYR  10  -0.126   1.433   5.407
   68    H    ASP  11           H        ASP  11   1.336   2.038   9.297
   69    HA   ASP  11           HA       ASP  11   2.985   4.195   8.153
   70    HB2  ASP  11           HB2      ASP  11   2.733   3.066  10.937
   71    HB3  ASP  11           HB3      ASP  11   4.017   4.167  10.468
   72    H    ALA  12           H        ALA  12   4.820   3.541   7.123
   73    HA   ALA  12           HA       ALA  12   5.730   0.855   7.208
   74    HB1  ALA  12           HB1      ALA  12   6.299   2.253   5.337
   75    HB2  ALA  12           HB2      ALA  12   7.786   1.770   6.153
   76    HB3  ALA  12           HB3      ALA  12   7.134   3.392   6.391
   77    H    ALA  13           H        ALA  13   7.195  -0.136   8.412
   78    HA   ALA  13           HA       ALA  13   8.500   1.364  10.587
   79    HB1  ALA  13           HB1      ALA  13   8.496  -0.639  11.918
   80    HB2  ALA  13           HB2      ALA  13   7.879  -1.596  10.570
   81    HB3  ALA  13           HB3      ALA  13   6.852  -0.382  11.334
   82    H    GLU  14           H        GLU  14   9.124   0.272   7.620
   83    HA   GLU  14           HA       GLU  14  11.929  -0.332   8.260
   84    HB2  GLU  14           HB2      GLU  14  10.200  -1.961   6.383
   85    HB3  GLU  14           HB3      GLU  14  11.945  -2.050   6.435
   86    HG2  GLU  14           HG2      GLU  14  11.866  -2.934   8.665
   87    HG3  GLU  14           HG3      GLU  14  10.130  -2.705   8.733
   88    H    ASP  15           H        ASP  15  13.340   0.052   6.396
   89    HA   ASP  15           HA       ASP  15  12.724   2.407   5.026
   90    HB2  ASP  15           HB2      ASP  15  14.890   0.389   4.803
   91    HB3  ASP  15           HB3      ASP  15  14.715   1.592   3.536
   92    H    ASN  16           H        ASN  16  12.400  -0.950   3.986
   93    HA   ASN  16           HA       ASN  16  11.742  -0.108   1.292
   94    HB2  ASN  16           HB2      ASN  16  11.964  -2.834   2.540
   95    HB3  ASN  16           HB3      ASN  16  11.430  -2.582   0.887
   96   HD21  ASN  16          HD21      ASN  16  13.691  -4.097   1.570
   97   HD22  ASN  16          HD22      ASN  16  15.085  -3.305   1.013
   98    H    GLU  17           H        GLU  17   9.901   0.046   3.931
   99    HA   GLU  17           HA       GLU  17   7.459  -0.998   2.677
  100    HB2  GLU  17           HB2      GLU  17   8.062  -0.043   5.472
  101    HB3  GLU  17           HB3      GLU  17   6.462  -0.523   4.925
  102    HG2  GLU  17           HG2      GLU  17   7.258  -2.743   4.427
  103    HG3  GLU  17           HG3      GLU  17   8.901  -2.279   4.821
  104    H    LEU  18           H        LEU  18   5.710   0.232   2.208
  105    HA   LEU  18           HA       LEU  18   6.114   3.085   1.761
  106    HG   LEU  18           HG       LEU  18   5.680   1.096  -0.395
  107    HB2  LEU  18           HB2      LEU  18   3.805   1.216   1.282
  108    HB3  LEU  18           HB3      LEU  18   3.726   2.928   0.973
  109   HD11  LEU  18          HD11      LEU  18   2.985   2.044  -1.387
  110   HD12  LEU  18          HD12      LEU  18   3.380   0.388  -0.928
  111   HD13  LEU  18          HD13      LEU  18   4.169   1.129  -2.320
  112   HD21  LEU  18          HD21      LEU  18   5.567   3.016  -2.031
  113   HD22  LEU  18          HD22      LEU  18   6.365   3.330  -0.489
  114   HD23  LEU  18          HD23      LEU  18   4.719   3.904  -0.765
  115    H    THR  19           H        THR  19   4.940   4.642   2.702
  116    HA   THR  19           HA       THR  19   3.438   4.086   5.179
  117    HB   THR  19           HB       THR  19   5.089   6.552   4.489
  118    HG1  THR  19           HG1      THR  19   5.529   4.712   6.585
  119   HG21  THR  19          HG21      THR  19   4.661   7.233   6.815
  120   HG22  THR  19          HG22      THR  19   3.656   5.806   7.058
  121   HG23  THR  19          HG23      THR  19   3.141   7.064   5.937
  122    H    PHE  20           H        PHE  20   1.331   4.799   5.025
  123    HA   PHE  20           HA       PHE  20   0.657   6.979   3.280
  124    HD1  PHE  20           HD1      PHE  20  -2.281   4.058   3.537
  125    HD2  PHE  20           HD2      PHE  20   1.407   3.113   1.636
  126    HE1  PHE  20           HE1      PHE  20  -2.768   1.667   3.772
  127    HE2  PHE  20           HE2      PHE  20   0.924   0.721   1.899
  128    HZ   PHE  20           HZ       PHE  20  -1.159   0.000   2.971
  129    HB2  PHE  20           HB2      PHE  20  -0.985   5.688   1.960
  130    HB3  PHE  20           HB3      PHE  20   0.686   5.305   1.609
  131    H    VAL  21           H        VAL  21  -1.775   7.336   3.302
  132    HA   VAL  21           HA       VAL  21  -2.844   6.547   5.928
  133    HB   VAL  21           HB       VAL  21  -4.062   8.709   6.003
  134   HG11  VAL  21          HG11      VAL  21  -1.055   8.933   5.879
  135   HG12  VAL  21          HG12      VAL  21  -2.000   8.365   7.256
  136   HG13  VAL  21          HG13      VAL  21  -2.142  10.039   6.719
  137   HG21  VAL  21          HG21      VAL  21  -2.220   9.579   3.787
  138   HG22  VAL  21          HG22      VAL  21  -3.493  10.520   4.563
  139   HG23  VAL  21          HG23      VAL  21  -3.910   9.143   3.545
  140    H    GLU  22           H        GLU  22  -5.178   6.562   6.047
  141    HA   GLU  22           HA       GLU  22  -6.506   4.981   4.243
  142    HB2  GLU  22           HB2      GLU  22  -7.250   5.706   6.575
  143    HB3  GLU  22           HB3      GLU  22  -7.783   7.214   5.848
  144    HG2  GLU  22           HG2      GLU  22  -9.255   5.885   4.322
  145    HG3  GLU  22           HG3      GLU  22  -8.787   4.438   5.190
  146    H    ASN  23           H        ASN  23  -7.528   5.317   2.392
  147    HA   ASN  23           HA       ASN  23  -8.431   6.204   0.596
  148    HB2  ASN  23           HB2      ASN  23  -8.280   8.798   2.025
  149    HB3  ASN  23           HB3      ASN  23  -8.925   8.615   0.398
  150   HD21  ASN  23          HD21      ASN  23 -10.105   9.239   3.142
  151   HD22  ASN  23          HD22      ASN  23 -11.433   8.189   3.270
  152    H    ASP  24           H        ASP  24  -5.273   6.803   1.395
  153    HA   ASP  24           HA       ASP  24  -4.522   8.181  -1.028
  154    HB2  ASP  24           HB2      ASP  24  -3.026   6.348   0.844
  155    HB3  ASP  24           HB3      ASP  24  -2.305   6.985  -0.619
  156    H    LYS  25           H        LYS  25  -3.840   7.226  -2.956
  157    HA   LYS  25           HA       LYS  25  -4.780   4.499  -3.443
  158    HB2  LYS  25           HB2      LYS  25  -4.062   6.753  -5.296
  159    HB3  LYS  25           HB3      LYS  25  -4.412   5.122  -5.844
  160    HG2  LYS  25           HG2      LYS  25  -6.647   5.271  -4.833
  161    HG3  LYS  25           HG3      LYS  25  -6.290   6.918  -4.309
  162    HD2  LYS  25           HD2      LYS  25  -5.970   7.618  -6.635
  163    HD3  LYS  25           HD3      LYS  25  -6.242   5.972  -7.188
  164    HE2  LYS  25           HE2      LYS  25  -8.545   6.060  -6.356
  165    HE3  LYS  25           HE3      LYS  25  -8.275   7.689  -5.749
  166    HZ1  LYS  25           HZ1      LYS  25  -7.820   8.395  -8.059
  167    HZ2  LYS  25           HZ2      LYS  25  -9.395   7.790  -7.869
  168    HZ3  LYS  25           HZ3      LYS  25  -8.199   6.833  -8.604
  169    H    ILE  26           H        ILE  26  -3.485   2.903  -4.092
  170    HA   ILE  26           HA       ILE  26  -0.567   3.380  -4.292
  171    HB   ILE  26           HB       ILE  26  -2.049   0.924  -3.265
  172   HG12  ILE  26          HG12      ILE  26  -0.425   1.471  -1.298
  173   HG13  ILE  26          HG13      ILE  26  -0.441   3.080  -1.970
  174   HG21  ILE  26          HG21      ILE  26   0.859   1.493  -3.862
  175   HG22  ILE  26          HG22      ILE  26  -0.142   0.181  -4.484
  176   HG23  ILE  26          HG23      ILE  26   0.357   0.183  -2.793
  177   HD11  ILE  26          HD11      ILE  26  -1.984   2.802  -0.066
  178   HD12  ILE  26          HD12      ILE  26  -2.882   1.595  -0.986
  179   HD13  ILE  26          HD13      ILE  26  -2.826   3.267  -1.544
  180    H    ILE  27           H        ILE  27   0.121   2.933  -6.297
  181    HA   ILE  27           HA       ILE  27  -1.697   1.528  -8.115
  182    HB   ILE  27           HB       ILE  27  -0.984   2.958  -9.881
  183   HG12  ILE  27          HG12      ILE  27   0.957   4.270  -7.988
  184   HG13  ILE  27          HG13      ILE  27   1.408   3.069  -9.190
  185   HG21  ILE  27          HG21      ILE  27  -1.352   4.739  -7.477
  186   HG22  ILE  27          HG22      ILE  27  -2.657   3.829  -8.240
  187   HG23  ILE  27          HG23      ILE  27  -1.802   5.075  -9.150
  188   HD11  ILE  27          HD11      ILE  27   1.749   5.481  -9.895
  189   HD12  ILE  27          HD12      ILE  27  -0.006   5.653  -9.892
  190   HD13  ILE  27          HD13      ILE  27   0.767   4.517 -10.997
  191    H    ASN  28           H        ASN  28  -0.658   0.611 -10.067
  192    HA   ASN  28           HA       ASN  28   0.602  -1.073 -10.936
  193    HB2  ASN  28           HB2      ASN  28   2.833   0.585  -9.791
  194    HB3  ASN  28           HB3      ASN  28   3.017  -0.691 -10.984
  195   HD21  ASN  28          HD21      ASN  28   3.301   2.437 -10.907
  196   HD22  ASN  28          HD22      ASN  28   2.545   2.932 -12.345
  197    H    ILE  29           H        ILE  29  -0.524  -1.963  -8.743
  198    HA   ILE  29           HA       ILE  29   1.325  -2.935  -6.814
  199    HB   ILE  29           HB       ILE  29  -1.495  -3.733  -7.486
  200   HG12  ILE  29          HG12      ILE  29  -0.368  -2.159  -5.186
  201   HG13  ILE  29          HG13      ILE  29  -0.939  -1.426  -6.666
  202   HG21  ILE  29          HG21      ILE  29  -0.677  -5.655  -6.394
  203   HG22  ILE  29          HG22      ILE  29  -1.417  -4.706  -5.104
  204   HG23  ILE  29          HG23      ILE  29   0.335  -4.711  -5.301
  205   HD11  ILE  29          HD11      ILE  29  -2.555  -2.990  -4.680
  206   HD12  ILE  29          HD12      ILE  29  -3.168  -2.387  -6.220
  207   HD13  ILE  29          HD13      ILE  29  -2.620  -1.255  -4.982
  208    H    GLU  30           H        GLU  30   2.511  -4.632  -6.770
  209    HA   GLU  30           HA       GLU  30   2.339  -6.636  -8.912
  210    HB2  GLU  30           HB2      GLU  30   4.740  -5.543  -7.416
  211    HB3  GLU  30           HB3      GLU  30   4.807  -6.975  -8.447
  212    HG2  GLU  30           HG2      GLU  30   4.044  -5.696 -10.354
  213    HG3  GLU  30           HG3      GLU  30   3.783  -4.286  -9.361
  214    H    PHE  31           H        PHE  31   1.977  -8.649  -8.306
  215    HA   PHE  31           HA       PHE  31   1.252  -9.188  -5.603
  216    HD1  PHE  31           HD2      PHE  31  -1.315 -10.640  -5.617
  217    HD2  PHE  31           HD1      PHE  31   0.032  -9.285  -9.397
  218    HE1  PHE  31           HE2      PHE  31  -3.571  -9.724  -6.095
  219    HE2  PHE  31           HE1      PHE  31  -2.195  -8.392  -9.867
  220    HZ   PHE  31           HZ       PHE  31  -3.987  -8.591  -8.228
  221    HB2  PHE  31           HB2      PHE  31   1.341 -10.884  -8.097
  222    HB3  PHE  31           HB3      PHE  31   0.759 -11.479  -6.552
  223    H    VAL  32           H        VAL  32   3.573  -8.597  -4.962
  224    HA   VAL  32           HA       VAL  32   5.634 -10.449  -5.355
  225    HB   VAL  32           HB       VAL  32   5.253  -8.505  -3.087
  226   HG11  VAL  32          HG11      VAL  32   7.557 -10.295  -3.778
  227   HG12  VAL  32          HG12      VAL  32   6.753 -10.070  -2.225
  228   HG13  VAL  32          HG13      VAL  32   7.784  -8.797  -2.878
  229   HG21  VAL  32          HG21      VAL  32   6.808  -8.362  -5.664
  230   HG22  VAL  32          HG22      VAL  32   7.003  -7.221  -4.334
  231   HG23  VAL  32          HG23      VAL  32   5.452  -7.350  -5.165
  232    H    ASP  33           H        ASP  33   3.326 -10.268  -2.673
  233    HA   ASP  33           HA       ASP  33   3.850 -13.090  -2.080
  234    HB2  ASP  33           HB2      ASP  33   5.304 -11.846  -0.559
  235    HB3  ASP  33           HB3      ASP  33   3.969 -10.811  -0.085
  236    H    ASP  34           H        ASP  34   2.002 -13.953  -0.722
  237    HA   ASP  34           HA       ASP  34  -0.504 -13.180  -1.780
  238    HB2  ASP  34           HB2      ASP  34  -1.473 -14.694  -0.081
  239    HB3  ASP  34           HB3      ASP  34  -0.175 -15.448  -0.987
  240    H    ASP  35           H        ASP  35   1.139 -12.435   1.239
  241    HA   ASP  35           HA       ASP  35  -1.161 -11.014   2.289
  242    HB2  ASP  35           HB2      ASP  35   0.162 -12.568   3.682
  243    HB3  ASP  35           HB3      ASP  35   1.544 -11.490   3.533
  244    H    TRP  36           H        TRP  36   2.117 -10.231   1.300
  245    HA   TRP  36           HA       TRP  36   1.481  -7.360   1.600
  246    HD1  TRP  36           HD1      TRP  36   2.671  -9.915   4.042
  247    HE1  TRP  36           HE1      TRP  36   2.595  -8.925   6.423
  248    HE3  TRP  36           HE3      TRP  36   4.155  -5.152   3.009
  249    HZ2  TRP  36           HZ2      TRP  36   3.088  -6.458   7.695
  250    HZ3  TRP  36           HZ3      TRP  36   4.374  -3.559   4.864
  251    HH2  TRP  36           HH2      TRP  36   3.849  -4.196   7.158
  252    HB2  TRP  36           HB2      TRP  36   4.090  -8.866   1.791
  253    HB3  TRP  36           HB3      TRP  36   3.994  -7.120   1.667
  254    H    TRP  37           H        TRP  37   1.862  -6.075  -0.162
  255    HA   TRP  37           HA       TRP  37   2.873  -7.344  -2.605
  256    HD1  TRP  37           HD1      TRP  37   1.649  -9.036  -3.437
  257    HE1  TRP  37           HE1      TRP  37  -0.425 -10.561  -3.573
  258    HE3  TRP  37           HE3      TRP  37  -1.991  -5.590  -2.486
  259    HZ2  TRP  37           HZ2      TRP  37  -3.174 -10.355  -3.312
  260    HZ3  TRP  37           HZ3      TRP  37  -4.344  -6.356  -2.464
  261    HH2  TRP  37           HH2      TRP  37  -4.910  -8.696  -2.878
  262    HB2  TRP  37           HB2      TRP  37   0.503  -5.506  -2.339
  263    HB3  TRP  37           HB3      TRP  37   1.289  -5.870  -3.862
  264    H    LEU  38           H        LEU  38   3.804  -5.862  -4.067
  265    HA   LEU  38           HA       LEU  38   5.103  -3.579  -2.742
  266    HG   LEU  38           HG       LEU  38   6.735  -2.987  -5.612
  267    HB2  LEU  38           HB2      LEU  38   6.506  -5.276  -3.723
  268    HB3  LEU  38           HB3      LEU  38   5.663  -5.144  -5.225
  269   HD11  LEU  38          HD11      LEU  38   7.128  -2.047  -3.531
  270   HD12  LEU  38          HD12      LEU  38   8.740  -2.465  -4.112
  271   HD13  LEU  38          HD13      LEU  38   7.940  -3.489  -2.921
  272   HD21  LEU  38          HD21      LEU  38   9.080  -3.802  -5.831
  273   HD22  LEU  38          HD22      LEU  38   7.852  -4.843  -6.550
  274   HD23  LEU  38          HD23      LEU  38   8.577  -5.272  -5.000
  275    H    GLY  39           H        GLY  39   4.493  -1.529  -3.417
  276    HA2  GLY  39           HA2      GLY  39   3.357  -1.250  -6.089
  277    HA3  GLY  39           HA3      GLY  39   2.354  -0.734  -4.739
  278    H    GLU  40           H        GLU  40   2.450   1.282  -5.850
  279    HA   GLU  40           HA       GLU  40   4.663   2.972  -4.925
  280    HB2  GLU  40           HB2      GLU  40   5.058   2.393  -7.280
  281    HB3  GLU  40           HB3      GLU  40   3.452   2.955  -7.690
  282    HG2  GLU  40           HG2      GLU  40   4.090   5.221  -6.973
  283    HG3  GLU  40           HG3      GLU  40   5.702   4.638  -6.607
  284    H    LEU  41           H        LEU  41   3.958   4.941  -4.166
  285    HA   LEU  41           HA       LEU  41   1.119   5.233  -3.811
  286    HG   LEU  41           HG       LEU  41   3.585   5.343  -1.725
  287    HB2  LEU  41           HB2      LEU  41   3.318   7.161  -3.178
  288    HB3  LEU  41           HB3      LEU  41   1.639   7.374  -2.748
  289   HD11  LEU  41          HD11      LEU  41   3.354   6.406   0.374
  290   HD12  LEU  41          HD12      LEU  41   1.972   7.356  -0.173
  291   HD13  LEU  41          HD13      LEU  41   3.580   7.691  -0.812
  292   HD21  LEU  41          HD21      LEU  41   1.528   4.182  -1.991
  293   HD22  LEU  41          HD22      LEU  41   0.642   5.490  -1.206
  294   HD23  LEU  41          HD23      LEU  41   1.789   4.521  -0.281
  295    H    GLU  42           H        GLU  42  -0.316   6.401  -4.916
  296    HA   GLU  42           HA       GLU  42   0.267   7.592  -7.414
  297    HB2  GLU  42           HB2      GLU  42  -1.997   6.913  -6.789
  298    HB3  GLU  42           HB3      GLU  42  -2.000   8.051  -5.453
  299    HG2  GLU  42           HG2      GLU  42  -1.584   9.820  -7.296
  300    HG3  GLU  42           HG3      GLU  42  -2.147   8.577  -8.391
  301    H    LYS  43           H        LYS  43   0.103   8.913  -4.090
  302    HA   LYS  43           HA       LYS  43   0.060  11.548  -5.080
  303    HB2  LYS  43           HB2      LYS  43   0.091  12.317  -2.853
  304    HB3  LYS  43           HB3      LYS  43  -0.905  10.877  -2.937
  305    HG2  LYS  43           HG2      LYS  43   1.094   9.596  -2.115
  306    HG3  LYS  43           HG3      LYS  43   1.858  11.153  -1.809
  307    HD2  LYS  43           HD2      LYS  43  -0.091  11.782  -0.378
  308    HD3  LYS  43           HD3      LYS  43  -0.756  10.177  -0.621
  309    HE2  LYS  43           HE2      LYS  43   1.193   9.202   0.463
  310    HE3  LYS  43           HE3      LYS  43   1.878  10.812   0.685
  311    HZ1  LYS  43           HZ1      LYS  43   0.801  10.279   2.678
  312    HZ2  LYS  43           HZ2      LYS  43  -0.584   9.700   1.883
  313    HZ3  LYS  43           HZ3      LYS  43  -0.236  11.363   1.886
  314    H    ASP  44           H        ASP  44   2.843   9.587  -4.440
  315    HA   ASP  44           HA       ASP  44   4.458  11.938  -5.024
  316    HB2  ASP  44           HB2      ASP  44   5.935  11.648  -3.153
  317    HB3  ASP  44           HB3      ASP  44   4.291  11.928  -2.623
  318    H    GLY  45           H        GLY  45   4.019   8.757  -5.831
  319    HA2  GLY  45           HA2      GLY  45   5.315   7.532  -7.298
  320    HA3  GLY  45           HA3      GLY  45   6.522   8.797  -7.229
  321    H    SER  46           H        SER  46   5.971   7.840  -4.053
  322    HA   SER  46           HA       SER  46   8.485   6.445  -3.952
  323    HG   SER  46           HG       SER  46   5.630   7.491  -1.897
  324    HB2  SER  46           HB2      SER  46   8.009   6.087  -1.584
  325    HB3  SER  46           HB3      SER  46   7.781   7.761  -2.039
  326    H    LYS  47           H        LYS  47   8.822   4.232  -3.427
  327    HA   LYS  47           HA       LYS  47   6.546   2.457  -4.057
  328    HB2  LYS  47           HB2      LYS  47   9.399   2.203  -5.026
  329    HB3  LYS  47           HB3      LYS  47   8.131   1.016  -5.282
  330    HG2  LYS  47           HG2      LYS  47   6.850   2.819  -6.471
  331    HG3  LYS  47           HG3      LYS  47   8.300   3.803  -6.380
  332    HD2  LYS  47           HD2      LYS  47   9.513   1.993  -7.595
  333    HD3  LYS  47           HD3      LYS  47   7.967   1.173  -7.804
  334    HE2  LYS  47           HE2      LYS  47   7.159   3.424  -8.777
  335    HE3  LYS  47           HE3      LYS  47   8.861   3.813  -8.918
  336    HZ1  LYS  47           HZ1      LYS  47   9.022   2.593 -10.747
  337    HZ2  LYS  47           HZ2      LYS  47   7.327   2.472 -10.742
  338    HZ3  LYS  47           HZ3      LYS  47   8.271   1.252 -10.029
  339    H    GLY  48           H        GLY  48   6.626   0.407  -3.071
  340    HA2  GLY  48           HA2      GLY  48   8.654  -0.714  -1.631
  341    HA3  GLY  48           HA3      GLY  48   7.919   0.425  -0.514
  342    H    LEU  49           H        LEU  49   7.909  -1.993   0.293
  343    HA   LEU  49           HA       LEU  49   5.731  -3.638  -0.479
  344    HG   LEU  49           HG       LEU  49   8.618  -4.292  -0.067
  345    HB2  LEU  49           HB2      LEU  49   7.452  -3.519   1.984
  346    HB3  LEU  49           HB3      LEU  49   6.235  -4.742   1.718
  347   HD11  LEU  49          HD11      LEU  49   9.010  -5.018   2.357
  348   HD12  LEU  49          HD12      LEU  49   9.719  -5.999   1.073
  349   HD13  LEU  49          HD13      LEU  49   8.245  -6.533   1.883
  350   HD21  LEU  49          HD21      LEU  49   7.809  -6.857  -0.427
  351   HD22  LEU  49          HD22      LEU  49   7.268  -5.511  -1.432
  352   HD23  LEU  49          HD23      LEU  49   6.261  -6.078  -0.099
  353    H    PHE  50           H        PHE  50   3.723  -3.822   0.360
  354    HA   PHE  50           HA       PHE  50   3.025  -2.227   2.703
  355    HD1  PHE  50           HD1      PHE  50  -0.570  -2.936   0.800
  356    HD2  PHE  50           HD2      PHE  50   2.713  -1.552  -1.507
  357    HE1  PHE  50           HE1      PHE  50  -1.656  -3.726  -1.252
  358    HE2  PHE  50           HE2      PHE  50   1.628  -2.357  -3.529
  359    HZ   PHE  50           HZ       PHE  50  -0.550  -3.453  -3.425
  360    HB2  PHE  50           HB2      PHE  50   1.066  -1.274   1.689
  361    HB3  PHE  50           HB3      PHE  50   2.469  -0.823   0.739
  362    HA   PRO  51           HA       PRO  51   0.911  -5.980   3.420
  363    HB2  PRO  51           HB2      PRO  51  -0.717  -5.301   5.500
  364    HB3  PRO  51           HB3      PRO  51   1.041  -5.426   5.684
  365    HG2  PRO  51           HG2      PRO  51  -0.674  -3.029   5.466
  366    HG3  PRO  51           HG3      PRO  51   0.820  -3.281   6.388
  367    HD2  PRO  51           HD2      PRO  51   0.632  -1.962   3.947
  368    HD3  PRO  51           HD3      PRO  51   2.126  -2.629   4.657
  369    H    SER  52           H        SER  52  -0.746  -6.925   2.383
  370    HA   SER  52           HA       SER  52  -2.513  -5.463   0.826
  371    HG   SER  52           HG       SER  52  -0.871  -7.156   0.410
  372    HB2  SER  52           HB2      SER  52  -2.750  -8.335   1.682
  373    HB3  SER  52           HB3      SER  52  -3.569  -7.590   0.313
  374    H    ASN  53           H        ASN  53  -3.166  -6.930   4.017
  375    HA   ASN  53           HA       ASN  53  -5.931  -6.540   3.890
  376    HB2  ASN  53           HB2      ASN  53  -5.850  -6.654   6.418
  377    HB3  ASN  53           HB3      ASN  53  -5.153  -8.018   5.559
  378   HD21  ASN  53          HD21      ASN  53  -4.553  -6.991   8.379
  379   HD22  ASN  53          HD22      ASN  53  -2.915  -6.550   8.434
  380    H    TYR  54           H        TYR  54  -3.627  -4.062   3.918
  381    HA   TYR  54           HA       TYR  54  -5.435  -2.252   5.332
  382    HD1  TYR  54           HD2      TYR  54  -2.645  -3.859   6.234
  383    HD2  TYR  54           HD1      TYR  54  -3.581   0.195   7.066
  384    HE1  TYR  54           HE2      TYR  54  -2.120  -4.215   8.597
  385    HE2  TYR  54           HE1      TYR  54  -3.064  -0.168   9.437
  386    HH   TYR  54           HH       TYR  54  -3.063  -2.464  10.981
  387    HB2  TYR  54           HB2      TYR  54  -2.596  -1.933   4.446
  388    HB3  TYR  54           HB3      TYR  54  -3.579  -0.536   4.850
  389    H    VAL  55           H        VAL  55  -5.249  -3.315   2.218
  390    HA   VAL  55           HA       VAL  55  -6.431  -0.802   1.238
  391    HB   VAL  55           HB       VAL  55  -5.286  -1.046  -0.936
  392   HG11  VAL  55          HG11      VAL  55  -3.519  -0.791   1.486
  393   HG12  VAL  55          HG12      VAL  55  -4.242   0.494   0.518
  394   HG13  VAL  55          HG13      VAL  55  -2.943  -0.491  -0.154
  395   HG21  VAL  55          HG21      VAL  55  -3.737  -3.231   0.428
  396   HG22  VAL  55          HG22      VAL  55  -3.377  -2.552  -1.159
  397   HG23  VAL  55          HG23      VAL  55  -4.884  -3.429  -0.897
  398    H    SER  56           H        SER  56  -7.675  -1.027  -0.681
  399    HA   SER  56           HA       SER  56  -8.769  -3.703  -1.212
  400    HG   SER  56           HG       SER  56 -11.064  -3.661  -1.717
  401    HB2  SER  56           HB2      SER  56 -10.359  -2.562   0.220
  402    HB3  SER  56           HB3      SER  56 -10.275  -1.118  -0.782
  403    H    LEU  57           H        LEU  57  -8.739  -4.120  -3.420
  404    HA   LEU  57           HA       LEU  57  -7.511  -2.309  -5.168
  405    HG   LEU  57           HG       LEU  57  -7.604  -5.579  -4.723
  406    HB2  LEU  57           HB2      LEU  57  -9.326  -4.564  -5.961
  407    HB3  LEU  57           HB3      LEU  57  -8.203  -3.728  -7.007
  408   HD11  LEU  57          HD11      LEU  57  -6.848  -5.606  -7.649
  409   HD12  LEU  57          HD12      LEU  57  -8.148  -6.547  -6.918
  410   HD13  LEU  57          HD13      LEU  57  -6.472  -6.856  -6.464
  411   HD21  LEU  57          HD21      LEU  57  -5.190  -5.207  -5.454
  412   HD22  LEU  57          HD22      LEU  57  -5.931  -3.985  -4.420
  413   HD23  LEU  57          HD23      LEU  57  -5.769  -3.697  -6.153
  414    H    GLY  58           H        GLY  58  -8.181  -0.893  -6.675
  415    HA2  GLY  58           HA2      GLY  58  -9.560   0.530  -7.838
  416    HA3  GLY  58           HA3      GLY  58 -10.900  -0.531  -7.439
  417    H    ASN  59           H        ASN  59 -12.034   1.515  -7.345
  418    HA   ASN  59           HA       ASN  59 -11.475   3.334  -5.188
  419    HB2  ASN  59           HB2      ASN  59 -12.934   3.447  -7.636
  420    HB3  ASN  59           HB3      ASN  59 -14.034   3.862  -6.333
  421   HD21  ASN  59          HD21      ASN  59 -12.874   5.512  -8.488
  422   HD22  ASN  59          HD22      ASN  59 -12.086   6.809  -7.725
  Start of MODEL    2
    1    H    ALA   1           H        ALA   1  -1.418  -5.243 -14.066
    2    HA   ALA   1           HA       ALA   1  -0.607  -4.735 -11.312
    3    HB1  ALA   1           HB1      ALA   1   0.894  -4.368 -13.259
    4    HB2  ALA   1           HB2      ALA   1   0.590  -2.900 -12.328
    5    HB3  ALA   1           HB3      ALA   1  -0.242  -3.161 -13.863
    6    HA   PRO   2           HA       PRO   2  -4.680  -2.394 -11.451
    7    HB2  PRO   2           HB2      PRO   2  -5.710  -3.416  -9.196
    8    HB3  PRO   2           HB3      PRO   2  -5.687  -4.405 -10.671
    9    HG2  PRO   2           HG2      PRO   2  -3.842  -4.452  -8.336
   10    HG3  PRO   2           HG3      PRO   2  -4.597  -5.803  -9.207
   11    HD2  PRO   2           HD2      PRO   2  -2.041  -4.920  -9.681
   12    HD3  PRO   2           HD3      PRO   2  -3.039  -5.772 -10.875
   13    H    TRP   3           H        TRP   3  -5.462  -0.945  -9.695
   14    HA   TRP   3           HA       TRP   3  -3.394  -0.132  -7.777
   15    HD1  TRP   3           HD1      TRP   3  -5.380   1.456 -11.435
   16    HE1  TRP   3           HE1      TRP   3  -7.732   2.439 -11.765
   17    HE3  TRP   3           HE3      TRP   3  -6.482   2.661  -6.605
   18    HZ2  TRP   3           HZ2      TRP   3  -9.790   3.528 -10.225
   19    HZ3  TRP   3           HZ3      TRP   3  -8.666   3.682  -6.131
   20    HH2  TRP   3           HH2      TRP   3 -10.282   4.106  -7.911
   21    HB2  TRP   3           HB2      TRP   3  -4.283   2.133  -7.840
   22    HB3  TRP   3           HB3      TRP   3  -3.641   1.635  -9.386
   23    H    ALA   4           H        ALA   4  -4.342   0.895  -5.844
   24    HA   ALA   4           HA       ALA   4  -6.958  -0.165  -5.072
   25    HB1  ALA   4           HB1      ALA   4  -5.116  -1.816  -4.529
   26    HB2  ALA   4           HB2      ALA   4  -6.069  -1.276  -3.147
   27    HB3  ALA   4           HB3      ALA   4  -4.462  -0.605  -3.425
   28    H    THR   5           H        THR   5  -7.620   0.615  -2.962
   29    HA   THR   5           HA       THR   5  -6.639   3.341  -2.366
   30    HB   THR   5           HB       THR   5  -9.011   3.670  -1.434
   31    HG1  THR   5           HG1      THR   5  -9.145   1.129  -1.907
   32   HG21  THR   5          HG21      THR   5  -8.508   4.705  -3.531
   33   HG22  THR   5          HG22      THR   5 -10.047   3.868  -3.734
   34   HG23  THR   5          HG23      THR   5  -8.566   3.159  -4.376
   35    H    ALA   6           H        ALA   6  -5.987   3.682  -0.300
   36    HA   ALA   6           HA       ALA   6  -5.606   1.458   1.441
   37    HB1  ALA   6           HB1      ALA   6  -4.821   3.184   3.039
   38    HB2  ALA   6           HB2      ALA   6  -5.376   4.432   1.924
   39    HB3  ALA   6           HB3      ALA   6  -4.072   3.342   1.449
   40    H    GLU   7           H        GLU   7  -6.778   0.733   3.079
   41    HA   GLU   7           HA       GLU   7  -9.400   1.995   3.567
   42    HB2  GLU   7           HB2      GLU   7  -9.317  -0.383   2.940
   43    HB3  GLU   7           HB3      GLU   7  -8.332  -0.709   4.352
   44    HG2  GLU   7           HG2      GLU   7 -10.169  -0.036   5.805
   45    HG3  GLU   7           HG3      GLU   7 -11.151   0.362   4.402
   46    H    TYR   8           H        TYR   8  -6.380   1.142   5.133
   47    HA   TYR   8           HA       TYR   8  -7.230   2.548   7.585
   48    HD1  TYR   8           HD1      TYR   8  -8.581   1.147   9.404
   49    HD2  TYR   8           HD2      TYR   8  -7.091  -1.752   6.672
   50    HE1  TYR   8           HE1      TYR   8 -10.722  -0.039   9.540
   51    HE2  TYR   8           HE2      TYR   8  -9.270  -2.954   6.791
   52    HH   TYR   8           HH       TYR   8 -11.769  -2.197   7.447
   53    HB2  TYR   8           HB2      TYR   8  -5.641  -0.039   7.541
   54    HB3  TYR   8           HB3      TYR   8  -6.113   0.868   8.965
   55    H    ASP   9           H        ASP   9  -5.440   3.549   8.644
   56    HA   ASP   9           HA       ASP   9  -3.343   4.495   6.938
   57    HB2  ASP   9           HB2      ASP   9  -4.174   5.770   8.945
   58    HB3  ASP   9           HB3      ASP   9  -3.492   4.528   9.971
   59    H    TYR  10           H        TYR  10  -1.284   3.646   6.717
   60    HA   TYR  10           HA       TYR  10  -0.459   1.493   8.542
   61    HD1  TYR  10           HD2      TYR  10   0.231  -1.193   8.145
   62    HD2  TYR  10           HD1      TYR  10   2.291   1.260   5.362
   63    HE1  TYR  10           HE2      TYR  10   2.240  -2.588   8.382
   64    HE2  TYR  10           HE1      TYR  10   4.278  -0.134   5.581
   65    HH   TYR  10           HH       TYR  10   4.746  -2.502   6.189
   66    HB2  TYR  10           HB2      TYR  10  -0.994   0.310   6.484
   67    HB3  TYR  10           HB3      TYR  10  -0.054   1.461   5.538
   68    H    ASP  11           H        ASP  11   1.350   1.942   9.475
   69    HA   ASP  11           HA       ASP  11   2.993   4.160   8.449
   70    HB2  ASP  11           HB2      ASP  11   2.087   4.182  10.814
   71    HB3  ASP  11           HB3      ASP  11   3.137   2.818  11.144
   72    H    ALA  12           H        ALA  12   4.777   3.546   7.311
   73    HA   ALA  12           HA       ALA  12   5.741   0.874   7.308
   74    HB1  ALA  12           HB1      ALA  12   7.165   3.413   6.532
   75    HB2  ALA  12           HB2      ALA  12   6.164   2.427   5.467
   76    HB3  ALA  12           HB3      ALA  12   7.668   1.775   6.117
   77    H    ALA  13           H        ALA  13   7.311  -0.094   8.405
   78    HA   ALA  13           HA       ALA  13   8.653   1.397  10.562
   79    HB1  ALA  13           HB1      ALA  13   8.679  -0.583  11.908
   80    HB2  ALA  13           HB2      ALA  13   8.066  -1.566  10.579
   81    HB3  ALA  13           HB3      ALA  13   7.023  -0.367  11.342
   82    H    GLU  14           H        GLU  14   9.177   0.294   7.577
   83    HA   GLU  14           HA       GLU  14  11.995  -0.345   8.140
   84    HB2  GLU  14           HB2      GLU  14  10.209  -1.865   6.229
   85    HB3  GLU  14           HB3      GLU  14  11.950  -1.997   6.262
   86    HG2  GLU  14           HG2      GLU  14  11.865  -2.956   8.462
   87    HG3  GLU  14           HG3      GLU  14  10.133  -2.698   8.546
   88    H    ASP  15           H        ASP  15  13.380   0.088   6.269
   89    HA   ASP  15           HA       ASP  15  12.762   2.506   5.003
   90    HB2  ASP  15           HB2      ASP  15  14.925   0.494   4.687
   91    HB3  ASP  15           HB3      ASP  15  14.744   1.748   3.471
   92    H    ASN  16           H        ASN  16  12.429  -0.810   3.836
   93    HA   ASN  16           HA       ASN  16  11.756   0.140   1.181
   94    HB2  ASN  16           HB2      ASN  16  12.008  -2.635   2.309
   95    HB3  ASN  16           HB3      ASN  16  11.459  -2.316   0.675
   96   HD21  ASN  16          HD21      ASN  16  13.703  -3.856   1.158
   97   HD22  ASN  16          HD22      ASN  16  15.121  -3.017   0.751
   98    H    GLU  17           H        GLU  17   9.930   0.130   3.850
   99    HA   GLU  17           HA       GLU  17   7.494  -0.887   2.578
  100    HB2  GLU  17           HB2      GLU  17   8.134  -0.002   5.387
  101    HB3  GLU  17           HB3      GLU  17   6.513  -0.432   4.855
  102    HG2  GLU  17           HG2      GLU  17   7.266  -2.653   4.268
  103    HG3  GLU  17           HG3      GLU  17   8.916  -2.235   4.679
  104    H    LEU  18           H        LEU  18   5.772   0.330   2.057
  105    HA   LEU  18           HA       LEU  18   6.120   3.199   1.706
  106    HG   LEU  18           HG       LEU  18   5.663   1.115  -0.475
  107    HB2  LEU  18           HB2      LEU  18   3.821   1.329   1.180
  108    HB3  LEU  18           HB3      LEU  18   3.769   3.042   0.862
  109   HD11  LEU  18          HD11      LEU  18   4.235   1.248  -2.421
  110   HD12  LEU  18          HD12      LEU  18   3.143   2.358  -1.591
  111   HD13  LEU  18          HD13      LEU  18   3.273   0.683  -1.055
  112   HD21  LEU  18          HD21      LEU  18   5.694   3.110  -2.079
  113   HD22  LEU  18          HD22      LEU  18   6.589   3.232  -0.563
  114   HD23  LEU  18          HD23      LEU  18   5.017   4.015  -0.727
  115    H    THR  19           H        THR  19   4.989   4.715   2.717
  116    HA   THR  19           HA       THR  19   3.448   4.081   5.153
  117    HB   THR  19           HB       THR  19   5.179   6.501   4.506
  118    HG1  THR  19           HG1      THR  19   6.362   4.803   5.315
  119   HG21  THR  19          HG21      THR  19   3.416   7.468   5.725
  120   HG22  THR  19          HG22      THR  19   4.575   7.043   6.984
  121   HG23  THR  19          HG23      THR  19   3.169   6.017   6.698
  122    H    PHE  20           H        PHE  20   1.331   4.799   5.025
  123    HA   PHE  20           HA       PHE  20   0.657   6.979   3.280
  124    HD1  PHE  20           HD1      PHE  20  -2.282   4.059   3.536
  125    HD2  PHE  20           HD2      PHE  20   1.407   3.113   1.636
  126    HE1  PHE  20           HE1      PHE  20  -2.768   1.667   3.773
  127    HE2  PHE  20           HE2      PHE  20   0.924   0.721   1.899
  128    HZ   PHE  20           HZ       PHE  20  -1.159  -0.001   2.971
  129    HB2  PHE  20           HB2      PHE  20  -0.985   5.688   1.959
  130    HB3  PHE  20           HB3      PHE  20   0.686   5.306   1.609
  131    H    VAL  21           H        VAL  21  -1.775   7.336   3.302
  132    HA   VAL  21           HA       VAL  21  -2.844   6.547   5.928
  133    HB   VAL  21           HB       VAL  21  -4.062   8.709   6.003
  134   HG11  VAL  21          HG11      VAL  21  -1.056   8.933   5.879
  135   HG12  VAL  21          HG12      VAL  21  -2.000   8.365   7.255
  136   HG13  VAL  21          HG13      VAL  21  -2.142  10.039   6.720
  137   HG21  VAL  21          HG21      VAL  21  -2.220   9.579   3.787
  138   HG22  VAL  21          HG22      VAL  21  -3.493  10.520   4.563
  139   HG23  VAL  21          HG23      VAL  21  -3.910   9.143   3.544
  140    H    GLU  22           H        GLU  22  -5.178   6.561   6.047
  141    HA   GLU  22           HA       GLU  22  -6.506   4.981   4.243
  142    HB2  GLU  22           HB2      GLU  22  -7.250   5.706   6.575
  143    HB3  GLU  22           HB3      GLU  22  -7.784   7.214   5.849
  144    HG2  GLU  22           HG2      GLU  22  -9.255   5.885   4.322
  145    HG3  GLU  22           HG3      GLU  22  -8.788   4.438   5.190
  146    H    ASN  23           H        ASN  23  -7.527   5.317   2.393
  147    HA   ASN  23           HA       ASN  23  -8.430   6.204   0.595
  148    HB2  ASN  23           HB2      ASN  23  -8.280   8.798   2.026
  149    HB3  ASN  23           HB3      ASN  23  -8.925   8.615   0.398
  150   HD21  ASN  23          HD21      ASN  23 -10.105   9.239   3.142
  151   HD22  ASN  23          HD22      ASN  23 -11.433   8.190   3.270
  152    H    ASP  24           H        ASP  24  -5.273   6.803   1.395
  153    HA   ASP  24           HA       ASP  24  -4.521   8.181  -1.028
  154    HB2  ASP  24           HB2      ASP  24  -3.026   6.348   0.844
  155    HB3  ASP  24           HB3      ASP  24  -2.304   6.985  -0.619
  156    H    LYS  25           H        LYS  25  -3.840   7.226  -2.956
  157    HA   LYS  25           HA       LYS  25  -4.780   4.500  -3.443
  158    HB2  LYS  25           HB2      LYS  25  -4.062   6.753  -5.296
  159    HB3  LYS  25           HB3      LYS  25  -4.412   5.122  -5.844
  160    HG2  LYS  25           HG2      LYS  25  -6.647   5.271  -4.833
  161    HG3  LYS  25           HG3      LYS  25  -6.290   6.918  -4.309
  162    HD2  LYS  25           HD2      LYS  25  -5.970   7.618  -6.635
  163    HD3  LYS  25           HD3      LYS  25  -6.242   5.972  -7.188
  164    HE2  LYS  25           HE2      LYS  25  -8.545   6.060  -6.356
  165    HE3  LYS  25           HE3      LYS  25  -8.275   7.690  -5.750
  166    HZ1  LYS  25           HZ1      LYS  25  -7.820   8.395  -8.060
  167    HZ2  LYS  25           HZ2      LYS  25  -9.395   7.790  -7.868
  168    HZ3  LYS  25           HZ3      LYS  25  -8.199   6.833  -8.603
  169    H    ILE  26           H        ILE  26  -3.485   2.904  -4.092
  170    HA   ILE  26           HA       ILE  26  -0.567   3.380  -4.292
  171    HB   ILE  26           HB       ILE  26  -2.049   0.924  -3.265
  172   HG12  ILE  26          HG12      ILE  26  -0.425   1.471  -1.298
  173   HG13  ILE  26          HG13      ILE  26  -0.441   3.080  -1.970
  174   HG21  ILE  26          HG21      ILE  26   0.860   1.493  -3.861
  175   HG22  ILE  26          HG22      ILE  26  -0.142   0.181  -4.484
  176   HG23  ILE  26          HG23      ILE  26   0.357   0.183  -2.793
  177   HD11  ILE  26          HD11      ILE  26  -1.984   2.801  -0.066
  178   HD12  ILE  26          HD12      ILE  26  -2.882   1.595  -0.986
  179   HD13  ILE  26          HD13      ILE  26  -2.827   3.267  -1.544
  180    H    ILE  27           H        ILE  27   0.121   2.932  -6.297
  181    HA   ILE  27           HA       ILE  27  -1.698   1.528  -8.115
  182    HB   ILE  27           HB       ILE  27  -0.984   2.958  -9.881
  183   HG12  ILE  27          HG12      ILE  27   0.958   4.269  -7.987
  184   HG13  ILE  27          HG13      ILE  27   1.408   3.069  -9.190
  185   HG21  ILE  27          HG21      ILE  27  -1.352   4.739  -7.477
  186   HG22  ILE  27          HG22      ILE  27  -2.657   3.830  -8.240
  187   HG23  ILE  27          HG23      ILE  27  -1.803   5.075  -9.150
  188   HD11  ILE  27          HD11      ILE  27   1.750   5.481  -9.895
  189   HD12  ILE  27          HD12      ILE  27  -0.006   5.653  -9.892
  190   HD13  ILE  27          HD13      ILE  27   0.766   4.518 -10.998
  191    H    ASN  28           H        ASN  28  -0.658   0.611 -10.067
  192    HA   ASN  28           HA       ASN  28   0.602  -1.073 -10.936
  193    HB2  ASN  28           HB2      ASN  28   2.833   0.585  -9.791
  194    HB3  ASN  28           HB3      ASN  28   3.017  -0.692 -10.985
  195   HD21  ASN  28          HD21      ASN  28   3.300   2.437 -10.908
  196   HD22  ASN  28          HD22      ASN  28   2.545   2.932 -12.345
  197    H    ILE  29           H        ILE  29  -0.523  -1.968  -8.749
  198    HA   ILE  29           HA       ILE  29   1.287  -2.905  -6.780
  199    HB   ILE  29           HB       ILE  29  -1.473  -3.819  -7.552
  200   HG12  ILE  29          HG12      ILE  29  -0.502  -2.155  -5.245
  201   HG13  ILE  29          HG13      ILE  29  -1.060  -1.477  -6.758
  202   HG21  ILE  29          HG21      ILE  29   0.170  -4.558  -5.120
  203   HG22  ILE  29          HG22      ILE  29  -0.372  -5.655  -6.390
  204   HG23  ILE  29          HG23      ILE  29  -1.549  -4.894  -5.320
  205   HD11  ILE  29          HD11      ILE  29  -2.807  -1.353  -5.142
  206   HD12  ILE  29          HD12      ILE  29  -2.658  -3.072  -4.781
  207   HD13  ILE  29          HD13      ILE  29  -3.253  -2.549  -6.357
  208    H    GLU  30           H        GLU  30   2.577  -4.513  -6.741
  209    HA   GLU  30           HA       GLU  30   2.514  -6.553  -8.853
  210    HB2  GLU  30           HB2      GLU  30   4.864  -5.335  -7.370
  211    HB3  GLU  30           HB3      GLU  30   4.990  -6.747  -8.424
  212    HG2  GLU  30           HG2      GLU  30   4.091  -5.459 -10.292
  213    HG3  GLU  30           HG3      GLU  30   3.873  -4.068  -9.263
  214    H    PHE  31           H        PHE  31   1.912  -8.447  -8.153
  215    HA   PHE  31           HA       PHE  31   1.467  -8.971  -5.398
  216    HD1  PHE  31           HD2      PHE  31  -1.116 -10.148  -5.108
  217    HD2  PHE  31           HD1      PHE  31  -0.175  -9.122  -9.106
  218    HE1  PHE  31           HE2      PHE  31  -3.354  -9.108  -5.369
  219    HE2  PHE  31           HE1      PHE  31  -2.384  -8.106  -9.362
  220    HZ   PHE  31           HZ       PHE  31  -3.965  -8.080  -7.508
  221    HB2  PHE  31           HB2      PHE  31   1.216 -10.666  -7.881
  222    HB3  PHE  31           HB3      PHE  31   0.755 -11.225  -6.283
  223    H    VAL  32           H        VAL  32   3.815  -8.547  -4.892
  224    HA   VAL  32           HA       VAL  32   5.768 -10.449  -5.524
  225    HB   VAL  32           HB       VAL  32   5.617  -8.572  -3.177
  226   HG11  VAL  32          HG11      VAL  32   7.063 -10.242  -2.421
  227   HG12  VAL  32          HG12      VAL  32   8.133  -9.007  -3.085
  228   HG13  VAL  32          HG13      VAL  32   7.787 -10.466  -4.013
  229   HG21  VAL  32          HG21      VAL  32   7.131  -8.449  -5.783
  230   HG22  VAL  32          HG22      VAL  32   7.322  -7.311  -4.449
  231   HG23  VAL  32          HG23      VAL  32   5.777  -7.429  -5.294
  232    H    ASP  33           H        ASP  33   3.676 -10.311  -2.669
  233    HA   ASP  33           HA       ASP  33   4.186 -13.169  -2.218
  234    HB2  ASP  33           HB2      ASP  33   5.685 -11.984  -0.701
  235    HB3  ASP  33           HB3      ASP  33   4.374 -10.948  -0.164
  236    H    ASP  34           H        ASP  34   2.392 -14.046  -0.752
  237    HA   ASP  34           HA       ASP  34  -0.151 -13.290  -1.737
  238    HB2  ASP  34           HB2      ASP  34   0.785 -15.107   0.456
  239    HB3  ASP  34           HB3      ASP  34  -0.916 -14.685   0.354
  240    H    ASP  35           H        ASP  35   1.557 -12.577   1.262
  241    HA   ASP  35           HA       ASP  35  -0.715 -11.129   2.343
  242    HB2  ASP  35           HB2      ASP  35   0.560 -12.741   3.712
  243    HB3  ASP  35           HB3      ASP  35   1.974 -11.706   3.578
  244    H    TRP  36           H        TRP  36   2.488 -10.407   1.174
  245    HA   TRP  36           HA       TRP  36   2.055  -7.545   1.754
  246    HD1  TRP  36           HD1      TRP  36   3.675 -10.294   3.885
  247    HE1  TRP  36           HE1      TRP  36   3.927  -9.340   6.270
  248    HE3  TRP  36           HE3      TRP  36   4.727  -5.443   2.736
  249    HZ2  TRP  36           HZ2      TRP  36   4.487  -6.868   7.501
  250    HZ3  TRP  36           HZ3      TRP  36   5.155  -3.865   4.566
  251    HH2  TRP  36           HH2      TRP  36   5.035  -4.561   6.900
  252    HB2  TRP  36           HB2      TRP  36   4.547  -9.216   1.471
  253    HB3  TRP  36           HB3      TRP  36   4.580  -7.465   1.390
  254    H    TRP  37           H        TRP  37   1.975  -6.202   0.046
  255    HA   TRP  37           HA       TRP  37   2.562  -7.282  -2.619
  256    HD1  TRP  37           HD1      TRP  37   1.054  -8.897  -2.085
  257    HE1  TRP  37           HE1      TRP  37  -1.186 -10.166  -2.230
  258    HE3  TRP  37           HE3      TRP  37  -2.081  -4.967  -2.953
  259    HZ2  TRP  37           HZ2      TRP  37  -3.867  -9.604  -2.637
  260    HZ3  TRP  37           HZ3      TRP  37  -4.496  -5.441  -3.224
  261    HH2  TRP  37           HH2      TRP  37  -5.357  -7.723  -3.074
  262    HB2  TRP  37           HB2      TRP  37   0.489  -5.243  -1.830
  263    HB3  TRP  37           HB3      TRP  37   0.916  -5.650  -3.480
  264    H    LEU  38           H        LEU  38   3.457  -5.830  -4.081
  265    HA   LEU  38           HA       LEU  38   5.035  -3.666  -2.850
  266    HG   LEU  38           HG       LEU  38   6.709  -3.106  -5.548
  267    HB2  LEU  38           HB2      LEU  38   6.173  -5.560  -3.948
  268    HB3  LEU  38           HB3      LEU  38   5.356  -5.163  -5.418
  269   HD11  LEU  38          HD11      LEU  38   8.725  -2.940  -4.121
  270   HD12  LEU  38          HD12      LEU  38   8.072  -4.233  -3.116
  271   HD13  LEU  38          HD13      LEU  38   7.210  -2.702  -3.253
  272   HD21  LEU  38          HD21      LEU  38   7.429  -5.114  -6.716
  273   HD22  LEU  38          HD22      LEU  38   8.337  -5.616  -5.291
  274   HD23  LEU  38          HD23      LEU  38   8.799  -4.153  -6.162
  275    H    GLY  39           H        GLY  39   4.380  -1.611  -3.430
  276    HA2  GLY  39           HA2      GLY  39   3.216  -1.251  -6.081
  277    HA3  GLY  39           HA3      GLY  39   2.243  -0.745  -4.705
  278    H    GLU  40           H        GLU  40   2.400   1.272  -5.875
  279    HA   GLU  40           HA       GLU  40   4.634   2.916  -4.910
  280    HB2  GLU  40           HB2      GLU  40   3.458   3.505  -7.565
  281    HB3  GLU  40           HB3      GLU  40   5.082   3.786  -6.973
  282    HG2  GLU  40           HG2      GLU  40   5.652   1.478  -7.286
  283    HG3  GLU  40           HG3      GLU  40   3.992   1.071  -7.676
  284    H    LEU  41           H        LEU  41   3.957   4.941  -4.166
  285    HA   LEU  41           HA       LEU  41   1.118   5.233  -3.812
  286    HG   LEU  41           HG       LEU  41   3.585   5.343  -1.725
  287    HB2  LEU  41           HB2      LEU  41   3.318   7.162  -3.178
  288    HB3  LEU  41           HB3      LEU  41   1.639   7.374  -2.748
  289   HD11  LEU  41          HD11      LEU  41   3.355   6.406   0.374
  290   HD12  LEU  41          HD12      LEU  41   1.972   7.355  -0.173
  291   HD13  LEU  41          HD13      LEU  41   3.580   7.692  -0.813
  292   HD21  LEU  41          HD21      LEU  41   1.528   4.182  -1.991
  293   HD22  LEU  41          HD22      LEU  41   0.642   5.491  -1.206
  294   HD23  LEU  41          HD23      LEU  41   1.789   4.521  -0.282
  295    H    GLU  42           H        GLU  42  -0.316   6.401  -4.916
  296    HA   GLU  42           HA       GLU  42   0.267   7.592  -7.414
  297    HB2  GLU  42           HB2      GLU  42  -1.997   6.914  -6.789
  298    HB3  GLU  42           HB3      GLU  42  -2.000   8.051  -5.453
  299    HG2  GLU  42           HG2      GLU  42  -1.584   9.820  -7.296
  300    HG3  GLU  42           HG3      GLU  42  -2.148   8.578  -8.391
  301    H    LYS  43           H        LYS  43   0.103   8.913  -4.090
  302    HA   LYS  43           HA       LYS  43   0.061  11.547  -5.080
  303    HB2  LYS  43           HB2      LYS  43   0.091  12.317  -2.853
  304    HB3  LYS  43           HB3      LYS  43  -0.905  10.878  -2.938
  305    HG2  LYS  43           HG2      LYS  43   1.094   9.596  -2.114
  306    HG3  LYS  43           HG3      LYS  43   1.858  11.153  -1.809
  307    HD2  LYS  43           HD2      LYS  43  -0.091  11.782  -0.378
  308    HD3  LYS  43           HD3      LYS  43  -0.756  10.177  -0.621
  309    HE2  LYS  43           HE2      LYS  43   1.193   9.202   0.462
  310    HE3  LYS  43           HE3      LYS  43   1.878  10.812   0.685
  311    HZ1  LYS  43           HZ1      LYS  43   0.801  10.280   2.678
  312    HZ2  LYS  43           HZ2      LYS  43  -0.584   9.700   1.883
  313    HZ3  LYS  43           HZ3      LYS  43  -0.235  11.363   1.886
  314    H    ASP  44           H        ASP  44   2.843   9.587  -4.440
  315    HA   ASP  44           HA       ASP  44   4.457  11.939  -5.024
  316    HB2  ASP  44           HB2      ASP  44   5.935  11.649  -3.153
  317    HB3  ASP  44           HB3      ASP  44   4.291  11.928  -2.622
  318    H    GLY  45           H        GLY  45   4.019   8.757  -5.832
  319    HA2  GLY  45           HA2      GLY  45   5.314   7.532  -7.299
  320    HA3  GLY  45           HA3      GLY  45   6.522   8.797  -7.229
  321    H    SER  46           H        SER  46   5.971   7.841  -4.052
  322    HA   SER  46           HA       SER  46   8.484   6.445  -3.952
  323    HG   SER  46           HG       SER  46   5.630   7.490  -1.896
  324    HB2  SER  46           HB2      SER  46   8.009   6.087  -1.584
  325    HB3  SER  46           HB3      SER  46   7.781   7.761  -2.039
  326    H    LYS  47           H        LYS  47   8.822   4.232  -3.426
  327    HA   LYS  47           HA       LYS  47   6.546   2.457  -4.057
  328    HB2  LYS  47           HB2      LYS  47   9.399   2.203  -5.026
  329    HB3  LYS  47           HB3      LYS  47   8.131   1.016  -5.282
  330    HG2  LYS  47           HG2      LYS  47   6.849   2.819  -6.470
  331    HG3  LYS  47           HG3      LYS  47   8.300   3.803  -6.381
  332    HD2  LYS  47           HD2      LYS  47   9.513   1.992  -7.595
  333    HD3  LYS  47           HD3      LYS  47   7.968   1.173  -7.804
  334    HE2  LYS  47           HE2      LYS  47   7.159   3.424  -8.778
  335    HE3  LYS  47           HE3      LYS  47   8.862   3.813  -8.918
  336    HZ1  LYS  47           HZ1      LYS  47   9.022   2.593 -10.747
  337    HZ2  LYS  47           HZ2      LYS  47   7.327   2.472 -10.742
  338    HZ3  LYS  47           HZ3      LYS  47   8.270   1.251 -10.028
  339    H    GLY  48           H        GLY  48   6.625   0.407  -3.068
  340    HA2  GLY  48           HA2      GLY  48   8.665  -0.701  -1.627
  341    HA3  GLY  48           HA3      GLY  48   7.903   0.421  -0.509
  342    H    LEU  49           H        LEU  49   7.956  -2.060   0.213
  343    HA   LEU  49           HA       LEU  49   5.723  -3.647  -0.571
  344    HG   LEU  49           HG       LEU  49   8.558  -4.397  -0.453
  345    HB2  LEU  49           HB2      LEU  49   7.612  -3.726   1.766
  346    HB3  LEU  49           HB3      LEU  49   6.344  -4.901   1.521
  347   HD11  LEU  49          HD11      LEU  49   9.709  -6.243   0.492
  348   HD12  LEU  49          HD12      LEU  49   8.363  -6.610   1.571
  349   HD13  LEU  49          HD13      LEU  49   9.317  -5.146   1.816
  350   HD21  LEU  49          HD21      LEU  49   6.560  -6.644  -0.096
  351   HD22  LEU  49          HD22      LEU  49   7.873  -6.638  -1.274
  352   HD23  LEU  49          HD23      LEU  49   6.572  -5.454  -1.397
  353    H    PHE  50           H        PHE  50   3.778  -3.897   0.405
  354    HA   PHE  50           HA       PHE  50   3.246  -2.505   2.902
  355    HD1  PHE  50           HD2      PHE  50   2.852  -1.578  -1.183
  356    HD2  PHE  50           HD1      PHE  50  -0.554  -2.613   1.127
  357    HE1  PHE  50           HE2      PHE  50   1.630  -2.110  -3.218
  358    HE2  PHE  50           HE1      PHE  50  -1.775  -3.129  -0.936
  359    HZ   PHE  50           HZ       PHE  50  -0.678  -2.894  -3.117
  360    HB2  PHE  50           HB2      PHE  50   1.301  -1.353   2.104
  361    HB3  PHE  50           HB3      PHE  50   2.674  -0.869   1.128
  362    HA   PRO  51           HA       PRO  51   1.213  -6.332   3.504
  363    HB2  PRO  51           HB2      PRO  51  -0.559  -4.864   5.403
  364    HB3  PRO  51           HB3      PRO  51   0.471  -6.276   5.695
  365    HG2  PRO  51           HG2      PRO  51   1.117  -3.902   6.646
  366    HG3  PRO  51           HG3      PRO  51   2.354  -5.000   6.007
  367    HD2  PRO  51           HD2      PRO  51   1.096  -2.607   4.709
  368    HD3  PRO  51           HD3      PRO  51   2.796  -3.147   4.685
  369    H    SER  52           H        SER  52  -0.360  -7.223   2.298
  370    HA   SER  52           HA       SER  52  -2.017  -5.661   0.694
  371    HG   SER  52           HG       SER  52  -1.383  -8.886   2.008
  372    HB2  SER  52           HB2      SER  52  -3.003  -7.790  -0.016
  373    HB3  SER  52           HB3      SER  52  -1.244  -7.842   0.032
  374    H    ASN  53           H        ASN  53  -2.662  -6.754   3.920
  375    HA   ASN  53           HA       ASN  53  -5.507  -6.649   3.534
  376    HB2  ASN  53           HB2      ASN  53  -5.670  -7.045   5.974
  377    HB3  ASN  53           HB3      ASN  53  -4.679  -8.233   5.144
  378   HD21  ASN  53          HD21      ASN  53  -4.444  -7.830   7.993
  379   HD22  ASN  53          HD22      ASN  53  -2.936  -7.142   8.358
  380    H    TYR  54           H        TYR  54  -3.366  -4.123   3.663
  381    HA   TYR  54           HA       TYR  54  -5.169  -2.456   5.254
  382    HD1  TYR  54           HD2      TYR  54  -2.081  -3.856   6.052
  383    HD2  TYR  54           HD1      TYR  54  -3.653  -0.028   6.990
  384    HE1  TYR  54           HE2      TYR  54  -1.527  -4.199   8.409
  385    HE2  TYR  54           HE1      TYR  54  -3.107  -0.380   9.356
  386    HH   TYR  54           HH       TYR  54  -2.625  -2.116  10.892
  387    HB2  TYR  54           HB2      TYR  54  -2.370  -2.034   4.311
  388    HB3  TYR  54           HB3      TYR  54  -3.373  -0.654   4.726
  389    H    VAL  55           H        VAL  55  -5.046  -3.342   2.070
  390    HA   VAL  55           HA       VAL  55  -6.375  -0.835   1.280
  391    HB   VAL  55           HB       VAL  55  -5.267  -0.698  -0.815
  392   HG11  VAL  55          HG11      VAL  55  -2.873  -0.515  -0.244
  393   HG12  VAL  55          HG12      VAL  55  -3.187  -1.363   1.270
  394   HG13  VAL  55          HG13      VAL  55  -3.919   0.215   0.973
  395   HG21  VAL  55          HG21      VAL  55  -5.215  -2.987  -1.458
  396   HG22  VAL  55          HG22      VAL  55  -4.072  -3.378  -0.172
  397   HG23  VAL  55          HG23      VAL  55  -3.568  -2.363  -1.526
  398    H    SER  56           H        SER  56  -7.629  -1.030  -0.677
  399    HA   SER  56           HA       SER  56  -8.717  -3.709  -1.205
  400    HG   SER  56           HG       SER  56  -9.447  -0.443  -0.507
  401    HB2  SER  56           HB2      SER  56 -10.952  -2.644  -1.357
  402    HB3  SER  56           HB3      SER  56 -10.275  -2.560   0.264
  403    H    LEU  57           H        LEU  57  -8.739  -4.121  -3.420
  404    HA   LEU  57           HA       LEU  57  -7.511  -2.308  -5.168
  405    HG   LEU  57           HG       LEU  57  -7.605  -5.579  -4.722
  406    HB2  LEU  57           HB2      LEU  57  -9.326  -4.564  -5.961
  407    HB3  LEU  57           HB3      LEU  57  -8.203  -3.728  -7.007
  408   HD11  LEU  57          HD11      LEU  57  -6.847  -5.606  -7.649
  409   HD12  LEU  57          HD12      LEU  57  -8.148  -6.547  -6.918
  410   HD13  LEU  57          HD13      LEU  57  -6.472  -6.857  -6.465
  411   HD21  LEU  57          HD21      LEU  57  -5.191  -5.207  -5.454
  412   HD22  LEU  57          HD22      LEU  57  -5.930  -3.985  -4.420
  413   HD23  LEU  57          HD23      LEU  57  -5.769  -3.697  -6.152
  414    H    GLY  58           H        GLY  58  -8.181  -0.892  -6.675
  415    HA2  GLY  58           HA2      GLY  58  -9.559   0.530  -7.838
  416    HA3  GLY  58           HA3      GLY  58 -10.900  -0.531  -7.439
  417    H    ASN  59           H        ASN  59 -12.033   1.516  -7.345
  418    HA   ASN  59           HA       ASN  59 -11.474   3.334  -5.187
  419    HB2  ASN  59           HB2      ASN  59 -12.934   3.447  -7.636
  420    HB3  ASN  59           HB3      ASN  59 -14.034   3.862  -6.333
  421   HD21  ASN  59          HD21      ASN  59 -12.874   5.513  -8.487
  422   HD22  ASN  59          HD22      ASN  59 -12.087   6.809  -7.725
  Start of MODEL    3
    1    H    ALA   1           H        ALA   1  -2.095  -4.938 -13.899
    2    HA   ALA   1           HA       ALA   1  -1.090  -5.187 -11.579
    3    HB1  ALA   1           HB1      ALA   1   0.517  -2.903 -12.722
    4    HB2  ALA   1           HB2      ALA   1   1.144  -4.441 -12.132
    5    HB3  ALA   1           HB3      ALA   1   0.411  -3.299 -11.007
    6    HA   PRO   2           HA       PRO   2  -4.680  -2.394 -11.450
    7    HB2  PRO   2           HB2      PRO   2  -5.710  -3.416  -9.195
    8    HB3  PRO   2           HB3      PRO   2  -5.687  -4.405 -10.671
    9    HG2  PRO   2           HG2      PRO   2  -3.842  -4.451  -8.336
   10    HG3  PRO   2           HG3      PRO   2  -4.597  -5.802  -9.207
   11    HD2  PRO   2           HD2      PRO   2  -2.042  -4.920  -9.681
   12    HD3  PRO   2           HD3      PRO   2  -3.039  -5.772 -10.875
   13    H    TRP   3           H        TRP   3  -5.462  -0.946  -9.694
   14    HA   TRP   3           HA       TRP   3  -3.393  -0.132  -7.778
   15    HD1  TRP   3           HD1      TRP   3  -5.380   1.456 -11.435
   16    HE1  TRP   3           HE1      TRP   3  -7.733   2.439 -11.765
   17    HE3  TRP   3           HE3      TRP   3  -6.481   2.662  -6.605
   18    HZ2  TRP   3           HZ2      TRP   3  -9.790   3.528 -10.226
   19    HZ3  TRP   3           HZ3      TRP   3  -8.667   3.683  -6.130
   20    HH2  TRP   3           HH2      TRP   3 -10.282   4.106  -7.911
   21    HB2  TRP   3           HB2      TRP   3  -4.283   2.133  -7.839
   22    HB3  TRP   3           HB3      TRP   3  -3.641   1.635  -9.385
   23    H    ALA   4           H        ALA   4  -4.342   0.895  -5.843
   24    HA   ALA   4           HA       ALA   4  -6.957  -0.166  -5.071
   25    HB1  ALA   4           HB1      ALA   4  -5.115  -1.816  -4.529
   26    HB2  ALA   4           HB2      ALA   4  -6.069  -1.276  -3.147
   27    HB3  ALA   4           HB3      ALA   4  -4.461  -0.605  -3.426
   28    H    THR   5           H        THR   5  -7.622   0.615  -2.965
   29    HA   THR   5           HA       THR   5  -6.631   3.336  -2.358
   30    HB   THR   5           HB       THR   5  -8.981   3.739  -1.488
   31    HG1  THR   5           HG1      THR   5  -9.294   1.199  -2.723
   32   HG21  THR   5          HG21      THR   5  -8.572   3.022  -4.389
   33   HG22  THR   5          HG22      THR   5  -8.533   4.625  -3.654
   34   HG23  THR   5          HG23      THR   5 -10.060   3.754  -3.790
   35    H    ALA   6           H        ALA   6  -6.006   3.673  -0.280
   36    HA   ALA   6           HA       ALA   6  -5.645   1.442   1.455
   37    HB1  ALA   6           HB1      ALA   6  -4.095   3.298   1.502
   38    HB2  ALA   6           HB2      ALA   6  -4.888   3.178   3.073
   39    HB3  ALA   6           HB3      ALA   6  -5.391   4.416   1.921
   40    H    GLU   7           H        GLU   7  -6.786   0.764   3.153
   41    HA   GLU   7           HA       GLU   7  -9.430   2.002   3.587
   42    HB2  GLU   7           HB2      GLU   7  -8.303  -0.698   4.278
   43    HB3  GLU   7           HB3      GLU   7  -9.885  -0.142   4.787
   44    HG2  GLU   7           HG2      GLU   7 -10.603   0.020   2.478
   45    HG3  GLU   7           HG3      GLU   7  -8.994  -0.411   1.920
   46    H    TYR   8           H        TYR   8  -6.395   1.267   5.160
   47    HA   TYR   8           HA       TYR   8  -7.269   2.695   7.586
   48    HD1  TYR   8           HD2      TYR   8  -8.593   1.196   9.691
   49    HD2  TYR   8           HD1      TYR   8  -7.171  -1.441   6.674
   50    HE1  TYR   8           HE2      TYR   8 -10.647  -0.197   9.911
   51    HE2  TYR   8           HE1      TYR   8  -9.195  -2.807   6.870
   52    HH   TYR   8           HH       TYR   8 -11.096  -2.945   9.219
   53    HB2  TYR   8           HB2      TYR   8  -5.704   0.091   7.590
   54    HB3  TYR   8           HB3      TYR   8  -6.119   1.046   9.001
   55    H    ASP   9           H        ASP   9  -5.489   3.729   8.625
   56    HA   ASP   9           HA       ASP   9  -3.390   4.658   6.931
   57    HB2  ASP   9           HB2      ASP   9  -4.206   5.919   8.950
   58    HB3  ASP   9           HB3      ASP   9  -3.519   4.669   9.963
   59    H    TYR  10           H        TYR  10  -1.352   3.782   6.662
   60    HA   TYR  10           HA       TYR  10  -0.492   1.645   8.490
   61    HD1  TYR  10           HD1      TYR  10   0.066  -0.894   8.257
   62    HD2  TYR  10           HD2      TYR  10   2.178   1.110   5.170
   63    HE1  TYR  10           HE1      TYR  10   2.057  -2.192   8.798
   64    HE2  TYR  10           HE2      TYR  10   4.180  -0.211   5.702
   65    HH   TYR  10           HH       TYR  10   5.089  -1.723   7.090
   66    HB2  TYR  10           HB2      TYR  10  -1.133   0.447   6.456
   67    HB3  TYR  10           HB3      TYR  10  -0.165   1.545   5.477
   68    H    ASP  11           H        ASP  11   1.386   2.044   9.315
   69    HA   ASP  11           HA       ASP  11   3.021   4.210   8.157
   70    HB2  ASP  11           HB2      ASP  11   2.820   3.101  10.954
   71    HB3  ASP  11           HB3      ASP  11   4.068   4.227  10.449
   72    H    ALA  12           H        ALA  12   4.855   3.544   7.134
   73    HA   ALA  12           HA       ALA  12   5.747   0.859   7.191
   74    HB1  ALA  12           HB1      ALA  12   6.367   2.300   5.368
   75    HB2  ALA  12           HB2      ALA  12   7.831   1.771   6.197
   76    HB3  ALA  12           HB3      ALA  12   7.200   3.397   6.468
   77    H    ALA  13           H        ALA  13   7.170  -0.177   8.404
   78    HA   ALA  13           HA       ALA  13   8.395   1.234  10.680
   79    HB1  ALA  13           HB1      ALA  13   6.821  -0.594  11.303
   80    HB2  ALA  13           HB2      ALA  13   8.474  -0.898  11.839
   81    HB3  ALA  13           HB3      ALA  13   7.840  -1.730  10.418
   82    H    GLU  14           H        GLU  14   9.121   0.265   7.657
   83    HA   GLU  14           HA       GLU  14  11.951  -0.133   8.323
   84    HB2  GLU  14           HB2      GLU  14  10.361  -1.932   6.481
   85    HB3  GLU  14           HB3      GLU  14  12.108  -1.867   6.508
   86    HG2  GLU  14           HG2      GLU  14  12.131  -2.707   8.761
   87    HG3  GLU  14           HG3      GLU  14  10.381  -2.650   8.833
   88    H    ASP  15           H        ASP  15  13.322   0.232   6.377
   89    HA   ASP  15           HA       ASP  15  12.546   2.552   5.001
   90    HB2  ASP  15           HB2      ASP  15  14.838   0.675   4.787
   91    HB3  ASP  15           HB3      ASP  15  14.574   1.845   3.505
   92    H    ASN  16           H        ASN  16  12.389  -0.833   4.031
   93    HA   ASN  16           HA       ASN  16  11.716  -0.109   1.315
   94    HB2  ASN  16           HB2      ASN  16  11.984  -2.773   2.680
   95    HB3  ASN  16           HB3      ASN  16  11.429  -2.609   1.024
   96   HD21  ASN  16          HD21      ASN  16  13.704  -4.064   1.687
   97   HD22  ASN  16          HD22      ASN  16  15.068  -3.280   1.055
   98    H    GLU  17           H        GLU  17   9.848   0.100   3.943
   99    HA   GLU  17           HA       GLU  17   7.433  -0.995   2.680
  100    HB2  GLU  17           HB2      GLU  17   8.011  -0.033   5.477
  101    HB3  GLU  17           HB3      GLU  17   6.411  -0.506   4.922
  102    HG2  GLU  17           HG2      GLU  17   7.198  -2.730   4.434
  103    HG3  GLU  17           HG3      GLU  17   8.845  -2.274   4.825
  104    H    LEU  18           H        LEU  18   5.670   0.211   2.194
  105    HA   LEU  18           HA       LEU  18   6.046   3.060   1.714
  106    HG   LEU  18           HG       LEU  18   5.569   0.998  -0.407
  107    HB2  LEU  18           HB2      LEU  18   3.742   1.170   1.294
  108    HB3  LEU  18           HB3      LEU  18   3.648   2.877   0.955
  109   HD11  LEU  18          HD11      LEU  18   4.080   0.724  -2.169
  110   HD12  LEU  18          HD12      LEU  18   3.115   2.127  -1.707
  111   HD13  LEU  18          HD13      LEU  18   3.005   0.634  -0.774
  112   HD21  LEU  18          HD21      LEU  18   5.310   3.002  -2.062
  113   HD22  LEU  18          HD22      LEU  18   6.412   3.095  -0.687
  114   HD23  LEU  18          HD23      LEU  18   4.826   3.861  -0.601
  115    H    THR  19           H        THR  19   4.938   4.628   2.680
  116    HA   THR  19           HA       THR  19   3.451   4.105   5.176
  117    HB   THR  19           HB       THR  19   5.052   6.591   4.446
  118    HG1  THR  19           HG1      THR  19   6.155   4.489   5.017
  119   HG21  THR  19          HG21      THR  19   3.618   5.741   6.975
  120   HG22  THR  19          HG22      THR  19   3.301   7.175   5.999
  121   HG23  THR  19          HG23      THR  19   4.797   7.050   6.925
  122    H    PHE  20           H        PHE  20   1.332   4.799   5.026
  123    HA   PHE  20           HA       PHE  20   0.656   6.979   3.280
  124    HD1  PHE  20           HD1      PHE  20  -2.281   4.058   3.537
  125    HD2  PHE  20           HD2      PHE  20   1.406   3.113   1.636
  126    HE1  PHE  20           HE1      PHE  20  -2.768   1.667   3.772
  127    HE2  PHE  20           HE2      PHE  20   0.924   0.721   1.899
  128    HZ   PHE  20           HZ       PHE  20  -1.158  -0.001   2.971
  129    HB2  PHE  20           HB2      PHE  20  -0.985   5.689   1.959
  130    HB3  PHE  20           HB3      PHE  20   0.686   5.306   1.609
  131    H    VAL  21           H        VAL  21  -1.775   7.336   3.301
  132    HA   VAL  21           HA       VAL  21  -2.843   6.547   5.928
  133    HB   VAL  21           HB       VAL  21  -4.061   8.709   6.003
  134   HG11  VAL  21          HG11      VAL  21  -1.056   8.933   5.879
  135   HG12  VAL  21          HG12      VAL  21  -2.000   8.365   7.256
  136   HG13  VAL  21          HG13      VAL  21  -2.142  10.039   6.720
  137   HG21  VAL  21          HG21      VAL  21  -2.220   9.579   3.787
  138   HG22  VAL  21          HG22      VAL  21  -3.493  10.520   4.563
  139   HG23  VAL  21          HG23      VAL  21  -3.910   9.143   3.545
  140    H    GLU  22           H        GLU  22  -5.179   6.561   6.047
  141    HA   GLU  22           HA       GLU  22  -6.505   4.981   4.243
  142    HB2  GLU  22           HB2      GLU  22  -7.250   5.706   6.575
  143    HB3  GLU  22           HB3      GLU  22  -7.783   7.215   5.849
  144    HG2  GLU  22           HG2      GLU  22  -9.255   5.884   4.322
  145    HG3  GLU  22           HG3      GLU  22  -8.787   4.438   5.190
  146    H    ASN  23           H        ASN  23  -7.527   5.317   2.392
  147    HA   ASN  23           HA       ASN  23  -8.431   6.203   0.596
  148    HB2  ASN  23           HB2      ASN  23  -8.280   8.797   2.025
  149    HB3  ASN  23           HB3      ASN  23  -8.924   8.615   0.398
  150   HD21  ASN  23          HD21      ASN  23 -10.105   9.240   3.142
  151   HD22  ASN  23          HD22      ASN  23 -11.432   8.189   3.270
  152    H    ASP  24           H        ASP  24  -5.273   6.804   1.395
  153    HA   ASP  24           HA       ASP  24  -4.522   8.182  -1.028
  154    HB2  ASP  24           HB2      ASP  24  -3.026   6.348   0.844
  155    HB3  ASP  24           HB3      ASP  24  -2.305   6.985  -0.619
  156    H    LYS  25           H        LYS  25  -3.839   7.226  -2.956
  157    HA   LYS  25           HA       LYS  25  -4.780   4.500  -3.443
  158    HB2  LYS  25           HB2      LYS  25  -4.062   6.753  -5.295
  159    HB3  LYS  25           HB3      LYS  25  -4.412   5.122  -5.845
  160    HG2  LYS  25           HG2      LYS  25  -6.647   5.270  -4.833
  161    HG3  LYS  25           HG3      LYS  25  -6.291   6.918  -4.309
  162    HD2  LYS  25           HD2      LYS  25  -5.971   7.618  -6.634
  163    HD3  LYS  25           HD3      LYS  25  -6.242   5.972  -7.188
  164    HE2  LYS  25           HE2      LYS  25  -8.545   6.060  -6.356
  165    HE3  LYS  25           HE3      LYS  25  -8.275   7.689  -5.749
  166    HZ1  LYS  25           HZ1      LYS  25  -7.820   8.395  -8.059
  167    HZ2  LYS  25           HZ2      LYS  25  -9.396   7.791  -7.869
  168    HZ3  LYS  25           HZ3      LYS  25  -8.199   6.833  -8.604
  169    H    ILE  26           H        ILE  26  -3.484   2.904  -4.091
  170    HA   ILE  26           HA       ILE  26  -0.566   3.380  -4.292
  171    HB   ILE  26           HB       ILE  26  -2.049   0.924  -3.265
  172   HG12  ILE  26          HG12      ILE  26  -0.426   1.471  -1.298
  173   HG13  ILE  26          HG13      ILE  26  -0.441   3.080  -1.970
  174   HG21  ILE  26          HG21      ILE  26   0.859   1.493  -3.861
  175   HG22  ILE  26          HG22      ILE  26  -0.142   0.181  -4.484
  176   HG23  ILE  26          HG23      ILE  26   0.357   0.183  -2.793
  177   HD11  ILE  26          HD11      ILE  26  -1.984   2.802  -0.067
  178   HD12  ILE  26          HD12      ILE  26  -2.882   1.594  -0.986
  179   HD13  ILE  26          HD13      ILE  26  -2.826   3.267  -1.544
  180    H    ILE  27           H        ILE  27   0.121   2.933  -6.297
  181    HA   ILE  27           HA       ILE  27  -1.697   1.528  -8.115
  182    HB   ILE  27           HB       ILE  27  -0.985   2.958  -9.881
  183   HG12  ILE  27          HG12      ILE  27   0.957   4.269  -7.987
  184   HG13  ILE  27          HG13      ILE  27   1.408   3.069  -9.190
  185   HG21  ILE  27          HG21      ILE  27  -1.353   4.739  -7.478
  186   HG22  ILE  27          HG22      ILE  27  -2.657   3.829  -8.240
  187   HG23  ILE  27          HG23      ILE  27  -1.802   5.076  -9.150
  188   HD11  ILE  27          HD11      ILE  27   1.749   5.481  -9.895
  189   HD12  ILE  27          HD12      ILE  27  -0.006   5.653  -9.892
  190   HD13  ILE  27          HD13      ILE  27   0.766   4.518 -10.997
  191    H    ASN  28           H        ASN  28  -0.658   0.610 -10.067
  192    HA   ASN  28           HA       ASN  28   0.602  -1.073 -10.936
  193    HB2  ASN  28           HB2      ASN  28   2.833   0.585  -9.791
  194    HB3  ASN  28           HB3      ASN  28   3.018  -0.692 -10.985
  195   HD21  ASN  28          HD21      ASN  28   3.301   2.437 -10.907
  196   HD22  ASN  28          HD22      ASN  28   2.545   2.932 -12.345
  197    H    ILE  29           H        ILE  29  -0.524  -1.965  -8.745
  198    HA   ILE  29           HA       ILE  29   1.331  -2.936  -6.817
  199    HB   ILE  29           HB       ILE  29  -1.496  -3.725  -7.468
  200   HG12  ILE  29          HG12      ILE  29  -0.359  -2.140  -5.182
  201   HG13  ILE  29          HG13      ILE  29  -0.915  -1.412  -6.669
  202   HG21  ILE  29          HG21      ILE  29  -1.434  -4.703  -5.109
  203   HG22  ILE  29          HG22      ILE  29   0.324  -4.661  -5.250
  204   HG23  ILE  29          HG23      ILE  29  -0.626  -5.638  -6.369
  205   HD11  ILE  29          HD11      ILE  29  -2.518  -2.857  -4.597
  206   HD12  ILE  29          HD12      ILE  29  -3.149  -2.473  -6.199
  207   HD13  ILE  29          HD13      ILE  29  -2.650  -1.177  -5.110
  208    H    GLU  30           H        GLU  30   2.505  -4.642  -6.773
  209    HA   GLU  30           HA       GLU  30   2.292  -6.660  -8.898
  210    HB2  GLU  30           HB2      GLU  30   4.747  -5.546  -7.503
  211    HB3  GLU  30           HB3      GLU  30   4.773  -6.966  -8.552
  212    HG2  GLU  30           HG2      GLU  30   3.918  -5.664 -10.407
  213    HG3  GLU  30           HG3      GLU  30   3.707  -4.267  -9.385
  214    H    PHE  31           H        PHE  31   2.072  -8.698  -8.259
  215    HA   PHE  31           HA       PHE  31   1.385  -9.214  -5.545
  216    HD1  PHE  31           HD1      PHE  31  -1.186 -10.801  -5.579
  217    HD2  PHE  31           HD2      PHE  31   0.277  -9.415  -9.303
  218    HE1  PHE  31           HE1      PHE  31  -3.405  -9.941  -6.134
  219    HE2  PHE  31           HE2      PHE  31  -1.980  -8.551  -9.866
  220    HZ   PHE  31           HZ       PHE  31  -3.814  -8.836  -8.267
  221    HB2  PHE  31           HB2      PHE  31   1.573 -10.975  -7.989
  222    HB3  PHE  31           HB3      PHE  31   0.995 -11.541  -6.431
  223    H    VAL  32           H        VAL  32   3.685  -8.475  -4.949
  224    HA   VAL  32           HA       VAL  32   5.840 -10.212  -5.309
  225    HB   VAL  32           HB       VAL  32   6.205  -7.944  -4.582
  226   HG11  VAL  32          HG11      VAL  32   5.682  -7.169  -2.353
  227   HG12  VAL  32          HG12      VAL  32   4.999  -8.741  -1.935
  228   HG13  VAL  32          HG13      VAL  32   4.215  -7.735  -3.152
  229   HG21  VAL  32          HG21      VAL  32   7.163  -9.775  -2.391
  230   HG22  VAL  32          HG22      VAL  32   7.937  -8.307  -2.988
  231   HG23  VAL  32          HG23      VAL  32   7.857  -9.742  -4.010
  232    H    ASP  33           H        ASP  33   3.482 -10.170  -2.680
  233    HA   ASP  33           HA       ASP  33   4.233 -12.918  -1.999
  234    HB2  ASP  33           HB2      ASP  33   5.556 -11.534  -0.484
  235    HB3  ASP  33           HB3      ASP  33   4.140 -10.588  -0.063
  236    H    ASP  34           H        ASP  34   2.436 -13.927  -0.712
  237    HA   ASP  34           HA       ASP  34  -0.108 -13.357  -1.800
  238    HB2  ASP  34           HB2      ASP  34  -0.980 -14.942  -0.126
  239    HB3  ASP  34           HB3      ASP  34   0.408 -15.587  -0.982
  240    H    ASP  35           H        ASP  35   1.426 -12.462   1.233
  241    HA   ASP  35           HA       ASP  35  -1.006 -11.191   2.203
  242    HB2  ASP  35           HB2      ASP  35   0.284 -12.712   3.651
  243    HB3  ASP  35           HB3      ASP  35   1.646 -11.600   3.583
  244    H    TRP  36           H        TRP  36   2.224 -10.269   1.245
  245    HA   TRP  36           HA       TRP  36   1.583  -7.440   1.787
  246    HD1  TRP  36           HD1      TRP  36   3.288 -10.097   3.938
  247    HE1  TRP  36           HE1      TRP  36   3.442  -9.149   6.333
  248    HE3  TRP  36           HE3      TRP  36   4.145  -5.195   2.841
  249    HZ2  TRP  36           HZ2      TRP  36   3.859  -6.662   7.592
  250    HZ3  TRP  36           HZ3      TRP  36   4.456  -3.611   4.692
  251    HH2  TRP  36           HH2      TRP  36   4.314  -4.330   7.017
  252    HB2  TRP  36           HB2      TRP  36   4.178  -8.955   1.550
  253    HB3  TRP  36           HB3      TRP  36   4.107  -7.204   1.481
  254    H    TRP  37           H        TRP  37   1.516  -6.072   0.091
  255    HA   TRP  37           HA       TRP  37   2.077  -7.148  -2.581
  256    HD1  TRP  37           HD1      TRP  37   0.817  -8.471  -3.403
  257    HE1  TRP  37           HE1      TRP  37  -1.375  -9.711  -3.955
  258    HE3  TRP  37           HE3      TRP  37  -2.540  -4.850  -2.120
  259    HZ2  TRP  37           HZ2      TRP  37  -4.104  -9.248  -3.858
  260    HZ3  TRP  37           HZ3      TRP  37  -4.950  -5.345  -2.401
  261    HH2  TRP  37           HH2      TRP  37  -5.701  -7.505  -3.263
  262    HB2  TRP  37           HB2      TRP  37   0.017  -5.229  -1.587
  263    HB3  TRP  37           HB3      TRP  37   0.603  -5.096  -3.234
  264    H    LEU  38           H        LEU  38   3.038  -5.744  -4.054
  265    HA   LEU  38           HA       LEU  38   4.756  -3.674  -2.833
  266    HG   LEU  38           HG       LEU  38   6.534  -3.308  -5.501
  267    HB2  LEU  38           HB2      LEU  38   5.805  -5.670  -3.840
  268    HB3  LEU  38           HB3      LEU  38   5.054  -5.271  -5.344
  269   HD11  LEU  38          HD11      LEU  38   7.935  -4.450  -3.095
  270   HD12  LEU  38          HD12      LEU  38   6.918  -3.008  -3.089
  271   HD13  LEU  38          HD13      LEU  38   8.409  -3.033  -4.030
  272   HD21  LEU  38          HD21      LEU  38   7.185  -5.347  -6.607
  273   HD22  LEU  38          HD22      LEU  38   7.956  -5.928  -5.130
  274   HD23  LEU  38          HD23      LEU  38   8.600  -4.515  -5.968
  275    H    GLY  39           H        GLY  39   4.301  -1.600  -3.528
  276    HA2  GLY  39           HA2      GLY  39   3.298  -1.216  -6.219
  277    HA3  GLY  39           HA3      GLY  39   2.195  -0.731  -4.940
  278    H    GLU  40           H        GLU  40   2.462   1.301  -6.067
  279    HA   GLU  40           HA       GLU  40   4.633   2.915  -4.909
  280    HB2  GLU  40           HB2      GLU  40   5.060   2.414  -7.293
  281    HB3  GLU  40           HB3      GLU  40   3.502   3.102  -7.700
  282    HG2  GLU  40           HG2      GLU  40   4.282   5.267  -6.770
  283    HG3  GLU  40           HG3      GLU  40   5.860   4.547  -6.517
  284    H    LEU  41           H        LEU  41   3.958   4.941  -4.166
  285    HA   LEU  41           HA       LEU  41   1.118   5.233  -3.811
  286    HG   LEU  41           HG       LEU  41   3.586   5.344  -1.725
  287    HB2  LEU  41           HB2      LEU  41   3.318   7.162  -3.178
  288    HB3  LEU  41           HB3      LEU  41   1.639   7.374  -2.747
  289   HD11  LEU  41          HD11      LEU  41   3.354   6.406   0.374
  290   HD12  LEU  41          HD12      LEU  41   1.972   7.356  -0.173
  291   HD13  LEU  41          HD13      LEU  41   3.580   7.692  -0.813
  292   HD21  LEU  41          HD21      LEU  41   1.528   4.182  -1.991
  293   HD22  LEU  41          HD22      LEU  41   0.642   5.490  -1.206
  294   HD23  LEU  41          HD23      LEU  41   1.790   4.522  -0.281
  295    H    GLU  42           H        GLU  42  -0.316   6.401  -4.916
  296    HA   GLU  42           HA       GLU  42   0.267   7.592  -7.414
  297    HB2  GLU  42           HB2      GLU  42  -1.997   6.913  -6.789
  298    HB3  GLU  42           HB3      GLU  42  -2.000   8.051  -5.453
  299    HG2  GLU  42           HG2      GLU  42  -1.584   9.820  -7.296
  300    HG3  GLU  42           HG3      GLU  42  -2.148   8.577  -8.390
  301    H    LYS  43           H        LYS  43   0.103   8.913  -4.090
  302    HA   LYS  43           HA       LYS  43   0.060  11.548  -5.080
  303    HB2  LYS  43           HB2      LYS  43   0.091  12.317  -2.853
  304    HB3  LYS  43           HB3      LYS  43  -0.905  10.878  -2.937
  305    HG2  LYS  43           HG2      LYS  43   1.094   9.596  -2.115
  306    HG3  LYS  43           HG3      LYS  43   1.858  11.153  -1.809
  307    HD2  LYS  43           HD2      LYS  43  -0.091  11.782  -0.378
  308    HD3  LYS  43           HD3      LYS  43  -0.756  10.177  -0.621
  309    HE2  LYS  43           HE2      LYS  43   1.193   9.202   0.462
  310    HE3  LYS  43           HE3      LYS  43   1.878  10.813   0.685
  311    HZ1  LYS  43           HZ1      LYS  43   0.801  10.280   2.678
  312    HZ2  LYS  43           HZ2      LYS  43  -0.584   9.700   1.883
  313    HZ3  LYS  43           HZ3      LYS  43  -0.236  11.363   1.886
  314    H    ASP  44           H        ASP  44   2.843   9.587  -4.440
  315    HA   ASP  44           HA       ASP  44   4.458  11.938  -5.024
  316    HB2  ASP  44           HB2      ASP  44   5.935  11.649  -3.153
  317    HB3  ASP  44           HB3      ASP  44   4.291  11.928  -2.623
  318    H    GLY  45           H        GLY  45   4.019   8.758  -5.832
  319    HA2  GLY  45           HA2      GLY  45   5.314   7.532  -7.298
  320    HA3  GLY  45           HA3      GLY  45   6.522   8.796  -7.229
  321    H    SER  46           H        SER  46   5.971   7.840  -4.053
  322    HA   SER  46           HA       SER  46   8.484   6.445  -3.951
  323    HG   SER  46           HG       SER  46   5.630   7.490  -1.897
  324    HB2  SER  46           HB2      SER  46   8.010   6.087  -1.584
  325    HB3  SER  46           HB3      SER  46   7.782   7.761  -2.039
  326    H    LYS  47           H        LYS  47   8.822   4.232  -3.427
  327    HA   LYS  47           HA       LYS  47   6.545   2.457  -4.057
  328    HB2  LYS  47           HB2      LYS  47   9.399   2.203  -5.025
  329    HB3  LYS  47           HB3      LYS  47   8.131   1.017  -5.282
  330    HG2  LYS  47           HG2      LYS  47   6.849   2.819  -6.470
  331    HG3  LYS  47           HG3      LYS  47   8.299   3.803  -6.380
  332    HD2  LYS  47           HD2      LYS  47   9.513   1.993  -7.595
  333    HD3  LYS  47           HD3      LYS  47   7.967   1.173  -7.804
  334    HE2  LYS  47           HE2      LYS  47   7.159   3.424  -8.777
  335    HE3  LYS  47           HE3      LYS  47   8.861   3.813  -8.918
  336    HZ1  LYS  47           HZ1      LYS  47   9.022   2.593 -10.747
  337    HZ2  LYS  47           HZ2      LYS  47   7.328   2.472 -10.742
  338    HZ3  LYS  47           HZ3      LYS  47   8.270   1.252 -10.028
  339    H    GLY  48           H        GLY  48   6.621   0.411  -3.065
  340    HA2  GLY  48           HA2      GLY  48   8.664  -0.711  -1.644
  341    HA3  GLY  48           HA3      GLY  48   7.923   0.414  -0.516
  342    H    LEU  49           H        LEU  49   7.919  -1.990   0.296
  343    HA   LEU  49           HA       LEU  49   5.700  -3.607  -0.493
  344    HG   LEU  49           HG       LEU  49   8.548  -4.366  -0.307
  345    HB2  LEU  49           HB2      LEU  49   7.567  -3.634   1.862
  346    HB3  LEU  49           HB3      LEU  49   6.295  -4.810   1.639
  347   HD11  LEU  49          HD11      LEU  49   9.527  -5.105   1.711
  348   HD12  LEU  49          HD12      LEU  49   9.373  -6.529   0.682
  349   HD13  LEU  49          HD13      LEU  49   8.230  -6.263   1.997
  350   HD21  LEU  49          HD21      LEU  49   6.556  -6.623   0.020
  351   HD22  LEU  49          HD22      LEU  49   7.839  -6.542  -1.188
  352   HD23  LEU  49          HD23      LEU  49   6.505  -5.390  -1.239
  353    H    PHE  50           H        PHE  50   3.720  -3.744   0.385
  354    HA   PHE  50           HA       PHE  50   3.171  -2.286   2.858
  355    HD1  PHE  50           HD2      PHE  50   2.759  -1.548  -1.279
  356    HD2  PHE  50           HD1      PHE  50  -0.599  -2.637   1.076
  357    HE1  PHE  50           HE2      PHE  50   1.567  -2.220  -3.289
  358    HE2  PHE  50           HE1      PHE  50  -1.794  -3.293  -0.964
  359    HZ   PHE  50           HZ       PHE  50  -0.705  -3.102  -3.153
  360    HB2  PHE  50           HB2      PHE  50   1.198  -1.229   1.987
  361    HB3  PHE  50           HB3      PHE  50   2.565  -0.766   0.994
  362    HA   PRO  51           HA       PRO  51   1.008  -6.014   3.506
  363    HB2  PRO  51           HB2      PRO  51  -0.619  -5.366   5.601
  364    HB3  PRO  51           HB3      PRO  51   1.138  -5.521   5.781
  365    HG2  PRO  51           HG2      PRO  51  -0.542  -3.093   5.606
  366    HG3  PRO  51           HG3      PRO  51   0.934  -3.391   6.542
  367    HD2  PRO  51           HD2      PRO  51   0.817  -2.001   4.153
  368    HD3  PRO  51           HD3      PRO  51   2.279  -2.757   4.841
  369    H    SER  52           H        SER  52  -0.575  -6.867   2.307
  370    HA   SER  52           HA       SER  52  -2.364  -5.367   0.847
  371    HG   SER  52           HG       SER  52  -1.059  -6.792  -0.179
  372    HB2  SER  52           HB2      SER  52  -2.597  -8.271   1.583
  373    HB3  SER  52           HB3      SER  52  -3.420  -7.473   0.247
  374    H    ASN  53           H        ASN  53  -2.986  -6.874   4.014
  375    HA   ASN  53           HA       ASN  53  -5.761  -6.561   3.898
  376    HB2  ASN  53           HB2      ASN  53  -4.648  -7.997   5.557
  377    HB3  ASN  53           HB3      ASN  53  -4.025  -6.576   6.376
  378   HD21  ASN  53          HD21      ASN  53  -5.168  -6.815   8.402
  379   HD22  ASN  53          HD22      ASN  53  -6.856  -6.880   8.552
  380    H    TYR  54           H        TYR  54  -3.522  -4.021   3.929
  381    HA   TYR  54           HA       TYR  54  -5.373  -2.268   5.360
  382    HD1  TYR  54           HD2      TYR  54  -2.584  -3.774   6.352
  383    HD2  TYR  54           HD1      TYR  54  -3.626   0.277   7.048
  384    HE1  TYR  54           HE2      TYR  54  -2.116  -4.056   8.736
  385    HE2  TYR  54           HE1      TYR  54  -3.167  -0.010   9.440
  386    HH   TYR  54           HH       TYR  54  -1.584  -1.667  10.796
  387    HB2  TYR  54           HB2      TYR  54  -2.532  -1.909   4.514
  388    HB3  TYR  54           HB3      TYR  54  -3.534  -0.510   4.852
  389    H    VAL  55           H        VAL  55  -5.205  -3.306   2.251
  390    HA   VAL  55           HA       VAL  55  -6.416  -0.804   1.287
  391    HB   VAL  55           HB       VAL  55  -5.285  -1.000  -0.886
  392   HG11  VAL  55          HG11      VAL  55  -4.145   0.510   0.446
  393   HG12  VAL  55          HG12      VAL  55  -2.867  -0.605  -0.038
  394   HG13  VAL  55          HG13      VAL  55  -3.591  -0.734   1.566
  395   HG21  VAL  55          HG21      VAL  55  -4.931  -3.474  -0.691
  396   HG22  VAL  55          HG22      VAL  55  -3.544  -3.115   0.337
  397   HG23  VAL  55          HG23      VAL  55  -3.574  -2.556  -1.337
  398    H    SER  56           H        SER  56  -7.603  -1.063  -0.704
  399    HA   SER  56           HA       SER  56  -8.680  -3.743  -1.218
  400    HG   SER  56           HG       SER  56  -9.736  -0.465  -1.210
  401    HB2  SER  56           HB2      SER  56 -10.927  -2.535  -1.469
  402    HB3  SER  56           HB3      SER  56 -10.355  -2.829   0.170
  403    H    LEU  57           H        LEU  57  -8.739  -4.120  -3.420
  404    HA   LEU  57           HA       LEU  57  -7.512  -2.309  -5.168
  405    HG   LEU  57           HG       LEU  57  -7.604  -5.579  -4.723
  406    HB2  LEU  57           HB2      LEU  57  -9.325  -4.564  -5.960
  407    HB3  LEU  57           HB3      LEU  57  -8.203  -3.728  -7.007
  408   HD11  LEU  57          HD11      LEU  57  -6.847  -5.606  -7.649
  409   HD12  LEU  57          HD12      LEU  57  -8.148  -6.547  -6.918
  410   HD13  LEU  57          HD13      LEU  57  -6.471  -6.856  -6.465
  411   HD21  LEU  57          HD21      LEU  57  -5.190  -5.207  -5.454
  412   HD22  LEU  57          HD22      LEU  57  -5.930  -3.985  -4.420
  413   HD23  LEU  57          HD23      LEU  57  -5.770  -3.697  -6.152
  414    H    GLY  58           H        GLY  58  -8.181  -0.893  -6.675
  415    HA2  GLY  58           HA2      GLY  58  -9.560   0.530  -7.838
  416    HA3  GLY  58           HA3      GLY  58 -10.900  -0.531  -7.439
  417    H    ASN  59           H        ASN  59 -12.033   1.515  -7.345
  418    HA   ASN  59           HA       ASN  59 -11.475   3.334  -5.188
  419    HB2  ASN  59           HB2      ASN  59 -12.934   3.446  -7.637
  420    HB3  ASN  59           HB3      ASN  59 -14.034   3.862  -6.333
  421   HD21  ASN  59          HD21      ASN  59 -12.874   5.512  -8.487
  422   HD22  ASN  59          HD22      ASN  59 -12.086   6.809  -7.724
  Start of MODEL    4
    1    H    ALA   1           H        ALA   1  -2.297  -5.828 -12.869
    2    HA   ALA   1           HA       ALA   1  -0.717  -4.851 -11.329
    3    HB1  ALA   1           HB1      ALA   1  -0.036  -3.043 -13.649
    4    HB2  ALA   1           HB2      ALA   1   1.003  -4.322 -13.023
    5    HB3  ALA   1           HB3      ALA   1   0.606  -2.933 -12.011
    6    HA   PRO   2           HA       PRO   2  -4.680  -2.394 -11.450
    7    HB2  PRO   2           HB2      PRO   2  -5.710  -3.416  -9.195
    8    HB3  PRO   2           HB3      PRO   2  -5.687  -4.405 -10.671
    9    HG2  PRO   2           HG2      PRO   2  -3.842  -4.451  -8.337
   10    HG3  PRO   2           HG3      PRO   2  -4.598  -5.802  -9.207
   11    HD2  PRO   2           HD2      PRO   2  -2.042  -4.920  -9.680
   12    HD3  PRO   2           HD3      PRO   2  -3.040  -5.771 -10.875
   13    H    TRP   3           H        TRP   3  -5.462  -0.945  -9.695
   14    HA   TRP   3           HA       TRP   3  -3.394  -0.132  -7.777
   15    HD1  TRP   3           HD1      TRP   3  -5.381   1.456 -11.435
   16    HE1  TRP   3           HE1      TRP   3  -7.733   2.440 -11.765
   17    HE3  TRP   3           HE3      TRP   3  -6.481   2.661  -6.605
   18    HZ2  TRP   3           HZ2      TRP   3  -9.790   3.527 -10.226
   19    HZ3  TRP   3           HZ3      TRP   3  -8.666   3.682  -6.130
   20    HH2  TRP   3           HH2      TRP   3 -10.283   4.106  -7.910
   21    HB2  TRP   3           HB2      TRP   3  -4.284   2.134  -7.840
   22    HB3  TRP   3           HB3      TRP   3  -3.641   1.635  -9.385
   23    H    ALA   4           H        ALA   4  -4.342   0.895  -5.843
   24    HA   ALA   4           HA       ALA   4  -6.957  -0.165  -5.071
   25    HB1  ALA   4           HB1      ALA   4  -5.116  -1.816  -4.529
   26    HB2  ALA   4           HB2      ALA   4  -6.069  -1.275  -3.147
   27    HB3  ALA   4           HB3      ALA   4  -4.461  -0.605  -3.426
   28    H    THR   5           H        THR   5  -7.619   0.614  -2.961
   29    HA   THR   5           HA       THR   5  -6.607   3.323  -2.337
   30    HB   THR   5           HB       THR   5  -9.463   2.285  -2.090
   31    HG1  THR   5           HG1      THR   5  -8.301   3.009  -4.218
   32   HG21  THR   5          HG21      THR   5  -9.928   4.723  -1.695
   33   HG22  THR   5          HG22      THR   5  -8.189   4.972  -1.550
   34   HG23  THR   5          HG23      THR   5  -9.032   3.941  -0.395
   35    H    ALA   6           H        ALA   6  -5.927   3.564  -0.278
   36    HA   ALA   6           HA       ALA   6  -5.758   1.321   1.465
   37    HB1  ALA   6           HB1      ALA   6  -4.112   3.152   1.453
   38    HB2  ALA   6           HB2      ALA   6  -4.809   2.918   3.055
   39    HB3  ALA   6           HB3      ALA   6  -5.350   4.258   2.045
   40    H    GLU   7           H        GLU   7  -6.965   0.727   3.146
   41    HA   GLU   7           HA       GLU   7  -9.505   2.173   3.574
   42    HB2  GLU   7           HB2      GLU   7  -8.633  -0.617   4.287
   43    HB3  GLU   7           HB3      GLU   7 -10.193   0.073   4.695
   44    HG2  GLU   7           HG2      GLU   7  -9.132  -0.363   1.907
   45    HG3  GLU   7           HG3      GLU   7 -10.304  -1.382   2.731
   46    H    TYR   8           H        TYR   8  -6.509   1.318   5.099
   47    HA   TYR   8           HA       TYR   8  -7.348   2.656   7.589
   48    HD1  TYR   8           HD1      TYR   8  -7.611  -1.091   6.327
   49    HD2  TYR   8           HD2      TYR   8  -8.201   0.826  10.076
   50    HE1  TYR   8           HE1      TYR   8  -9.651  -2.411   6.648
   51    HE2  TYR   8           HE2      TYR   8 -10.265  -0.523  10.419
   52    HH   TYR   8           HH       TYR   8 -11.975  -1.677   8.731
   53    HB2  TYR   8           HB2      TYR   8  -5.789   0.053   7.414
   54    HB3  TYR   8           HB3      TYR   8  -6.048   0.975   8.885
   55    H    ASP   9           H        ASP   9  -5.538   3.646   8.656
   56    HA   ASP   9           HA       ASP   9  -3.510   4.683   6.910
   57    HB2  ASP   9           HB2      ASP   9  -4.384   5.842   9.016
   58    HB3  ASP   9           HB3      ASP   9  -3.487   4.661   9.940
   59    H    TYR  10           H        TYR  10  -1.464   3.851   6.594
   60    HA   TYR  10           HA       TYR  10  -0.438   1.843   8.460
   61    HD1  TYR  10           HD1      TYR  10   0.202  -0.702   8.407
   62    HD2  TYR  10           HD2      TYR  10   1.873   1.043   4.917
   63    HE1  TYR  10           HE1      TYR  10   2.289  -1.891   8.827
   64    HE2  TYR  10           HE2      TYR  10   3.968  -0.169   5.330
   65    HH   TYR  10           HH       TYR  10   5.078  -1.534   6.724
   66    HB2  TYR  10           HB2      TYR  10  -1.243   0.428   6.649
   67    HB3  TYR  10           HB3      TYR  10  -0.437   1.444   5.455
   68    H    ASP  11           H        ASP  11   1.570   2.215   8.971
   69    HA   ASP  11           HA       ASP  11   3.059   4.244   7.420
   70    HB2  ASP  11           HB2      ASP  11   3.100   3.579  10.361
   71    HB3  ASP  11           HB3      ASP  11   4.289   4.610   9.586
   72    H    ALA  12           H        ALA  12   5.092   3.679   6.693
   73    HA   ALA  12           HA       ALA  12   5.858   0.927   6.832
   74    HB1  ALA  12           HB1      ALA  12   6.672   1.948   4.933
   75    HB2  ALA  12           HB2      ALA  12   8.092   1.973   5.978
   76    HB3  ALA  12           HB3      ALA  12   7.109   3.425   5.792
   77    H    ALA  13           H        ALA  13   7.328  -0.064   8.053
   78    HA   ALA  13           HA       ALA  13   8.531   1.432  10.286
   79    HB1  ALA  13           HB1      ALA  13   6.984  -0.343  11.023
   80    HB2  ALA  13           HB2      ALA  13   8.647  -0.692  11.496
   81    HB3  ALA  13           HB3      ALA  13   7.928  -1.529  10.119
   82    H    GLU  14           H        GLU  14   9.211   0.097   7.316
   83    HA   GLU  14           HA       GLU  14  12.054  -0.248   8.030
   84    HB2  GLU  14           HB2      GLU  14  10.458  -1.954   6.105
   85    HB3  GLU  14           HB3      GLU  14  12.203  -1.970   6.217
   86    HG2  GLU  14           HG2      GLU  14  10.303  -2.737   8.410
   87    HG3  GLU  14           HG3      GLU  14  11.117  -3.857   7.335
   88    H    ASP  15           H        ASP  15  13.454   0.012   6.050
   89    HA   ASP  15           HA       ASP  15  12.838   2.422   4.746
   90    HB2  ASP  15           HB2      ASP  15  15.001   0.407   4.484
   91    HB3  ASP  15           HB3      ASP  15  14.816   1.620   3.228
   92    H    ASN  16           H        ASN  16  12.499  -0.921   3.670
   93    HA   ASN  16           HA       ASN  16  11.836  -0.052   0.988
   94    HB2  ASN  16           HB2      ASN  16  11.697  -2.401   0.410
   95    HB3  ASN  16           HB3      ASN  16  13.194  -2.046   1.255
   96   HD21  ASN  16          HD21      ASN  16  12.780  -4.576   1.252
   97   HD22  ASN  16          HD22      ASN  16  12.181  -5.148   2.733
   98    H    GLU  17           H        GLU  17   9.998   0.112   3.618
   99    HA   GLU  17           HA       GLU  17   7.552  -0.925   2.366
  100    HB2  GLU  17           HB2      GLU  17   8.178   0.002   5.164
  101    HB3  GLU  17           HB3      GLU  17   6.564  -0.433   4.623
  102    HG2  GLU  17           HG2      GLU  17   7.306  -2.668   4.099
  103    HG3  GLU  17           HG3      GLU  17   8.961  -2.247   4.489
  104    H    LEU  18           H        LEU  18   5.669   0.318   2.219
  105    HA   LEU  18           HA       LEU  18   6.126   3.186   1.725
  106    HG   LEU  18           HG       LEU  18   5.718   1.296  -0.558
  107    HB2  LEU  18           HB2      LEU  18   3.863   1.308   1.102
  108    HB3  LEU  18           HB3      LEU  18   3.736   3.034   0.901
  109   HD11  LEU  18          HD11      LEU  18   4.094   2.027  -2.504
  110   HD12  LEU  18          HD12      LEU  18   2.912   2.098  -1.198
  111   HD13  LEU  18          HD13      LEU  18   3.755   0.588  -1.544
  112   HD21  LEU  18          HD21      LEU  18   4.917   4.167  -0.617
  113   HD22  LEU  18          HD22      LEU  18   5.629   3.392  -2.032
  114   HD23  LEU  18          HD23      LEU  18   6.528   3.460  -0.515
  115    H    THR  19           H        THR  19   4.998   4.698   2.748
  116    HA   THR  19           HA       THR  19   3.414   4.041   5.148
  117    HB   THR  19           HB       THR  19   5.494   5.260   5.751
  118    HG1  THR  19           HG1      THR  19   3.083   5.908   6.344
  119   HG21  THR  19          HG21      THR  19   6.058   7.399   4.881
  120   HG22  THR  19          HG22      THR  19   4.497   7.573   4.081
  121   HG23  THR  19          HG23      THR  19   5.684   6.426   3.459
  122    H    PHE  20           H        PHE  20   1.332   4.799   5.026
  123    HA   PHE  20           HA       PHE  20   0.657   6.979   3.280
  124    HD1  PHE  20           HD1      PHE  20  -2.281   4.059   3.537
  125    HD2  PHE  20           HD2      PHE  20   1.407   3.113   1.636
  126    HE1  PHE  20           HE1      PHE  20  -2.768   1.668   3.772
  127    HE2  PHE  20           HE2      PHE  20   0.924   0.721   1.899
  128    HZ   PHE  20           HZ       PHE  20  -1.159  -0.001   2.971
  129    HB2  PHE  20           HB2      PHE  20  -0.985   5.688   1.960
  130    HB3  PHE  20           HB3      PHE  20   0.686   5.306   1.609
  131    H    VAL  21           H        VAL  21  -1.776   7.336   3.302
  132    HA   VAL  21           HA       VAL  21  -2.844   6.548   5.928
  133    HB   VAL  21           HB       VAL  21  -4.062   8.709   6.003
  134   HG11  VAL  21          HG11      VAL  21  -1.055   8.933   5.879
  135   HG12  VAL  21          HG12      VAL  21  -2.000   8.365   7.255
  136   HG13  VAL  21          HG13      VAL  21  -2.142  10.039   6.719
  137   HG21  VAL  21          HG21      VAL  21  -2.220   9.579   3.787
  138   HG22  VAL  21          HG22      VAL  21  -3.492  10.521   4.563
  139   HG23  VAL  21          HG23      VAL  21  -3.910   9.143   3.545
  140    H    GLU  22           H        GLU  22  -5.178   6.561   6.047
  141    HA   GLU  22           HA       GLU  22  -6.506   4.981   4.243
  142    HB2  GLU  22           HB2      GLU  22  -7.250   5.706   6.575
  143    HB3  GLU  22           HB3      GLU  22  -7.783   7.215   5.848
  144    HG2  GLU  22           HG2      GLU  22  -9.255   5.885   4.322
  145    HG3  GLU  22           HG3      GLU  22  -8.787   4.438   5.190
  146    H    ASN  23           H        ASN  23  -7.527   5.317   2.392
  147    HA   ASN  23           HA       ASN  23  -8.430   6.203   0.596
  148    HB2  ASN  23           HB2      ASN  23  -8.280   8.798   2.025
  149    HB3  ASN  23           HB3      ASN  23  -8.925   8.615   0.398
  150   HD21  ASN  23          HD21      ASN  23 -10.105   9.239   3.142
  151   HD22  ASN  23          HD22      ASN  23 -11.433   8.189   3.270
  152    H    ASP  24           H        ASP  24  -5.273   6.803   1.395
  153    HA   ASP  24           HA       ASP  24  -4.522   8.182  -1.028
  154    HB2  ASP  24           HB2      ASP  24  -3.026   6.348   0.844
  155    HB3  ASP  24           HB3      ASP  24  -2.305   6.985  -0.619
  156    H    LYS  25           H        LYS  25  -3.840   7.226  -2.956
  157    HA   LYS  25           HA       LYS  25  -4.780   4.499  -3.443
  158    HB2  LYS  25           HB2      LYS  25  -4.062   6.754  -5.296
  159    HB3  LYS  25           HB3      LYS  25  -4.412   5.122  -5.845
  160    HG2  LYS  25           HG2      LYS  25  -6.647   5.270  -4.833
  161    HG3  LYS  25           HG3      LYS  25  -6.290   6.917  -4.309
  162    HD2  LYS  25           HD2      LYS  25  -5.971   7.618  -6.635
  163    HD3  LYS  25           HD3      LYS  25  -6.242   5.972  -7.188
  164    HE2  LYS  25           HE2      LYS  25  -8.545   6.060  -6.356
  165    HE3  LYS  25           HE3      LYS  25  -8.275   7.690  -5.749
  166    HZ1  LYS  25           HZ1      LYS  25  -7.820   8.395  -8.059
  167    HZ2  LYS  25           HZ2      LYS  25  -9.395   7.790  -7.869
  168    HZ3  LYS  25           HZ3      LYS  25  -8.199   6.833  -8.604
  169    H    ILE  26           H        ILE  26  -3.485   2.904  -4.092
  170    HA   ILE  26           HA       ILE  26  -0.567   3.380  -4.293
  171    HB   ILE  26           HB       ILE  26  -2.049   0.924  -3.265
  172   HG12  ILE  26          HG12      ILE  26  -0.425   1.471  -1.297
  173   HG13  ILE  26          HG13      ILE  26  -0.440   3.079  -1.971
  174   HG21  ILE  26          HG21      ILE  26   0.859   1.493  -3.862
  175   HG22  ILE  26          HG22      ILE  26  -0.142   0.181  -4.484
  176   HG23  ILE  26          HG23      ILE  26   0.357   0.183  -2.793
  177   HD11  ILE  26          HD11      ILE  26  -1.984   2.801  -0.066
  178   HD12  ILE  26          HD12      ILE  26  -2.882   1.595  -0.986
  179   HD13  ILE  26          HD13      ILE  26  -2.826   3.267  -1.544
  180    H    ILE  27           H        ILE  27   0.121   2.933  -6.297
  181    HA   ILE  27           HA       ILE  27  -1.697   1.528  -8.115
  182    HB   ILE  27           HB       ILE  27  -0.985   2.958  -9.881
  183   HG12  ILE  27          HG12      ILE  27   0.957   4.269  -7.987
  184   HG13  ILE  27          HG13      ILE  27   1.408   3.069  -9.190
  185   HG21  ILE  27          HG21      ILE  27  -1.352   4.739  -7.477
  186   HG22  ILE  27          HG22      ILE  27  -2.657   3.829  -8.240
  187   HG23  ILE  27          HG23      ILE  27  -1.803   5.075  -9.149
  188   HD11  ILE  27          HD11      ILE  27   1.749   5.481  -9.895
  189   HD12  ILE  27          HD12      ILE  27  -0.006   5.653  -9.892
  190   HD13  ILE  27          HD13      ILE  27   0.767   4.517 -10.998
  191    H    ASN  28           H        ASN  28  -0.658   0.610 -10.067
  192    HA   ASN  28           HA       ASN  28   0.602  -1.073 -10.936
  193    HB2  ASN  28           HB2      ASN  28   2.833   0.584  -9.791
  194    HB3  ASN  28           HB3      ASN  28   3.017  -0.691 -10.985
  195   HD21  ASN  28          HD21      ASN  28   3.300   2.437 -10.907
  196   HD22  ASN  28          HD22      ASN  28   2.545   2.932 -12.344
  197    H    ILE  29           H        ILE  29  -0.525  -1.969  -8.749
  198    HA   ILE  29           HA       ILE  29   1.295  -2.904  -6.785
  199    HB   ILE  29           HB       ILE  29  -1.481  -3.790  -7.531
  200   HG12  ILE  29          HG12      ILE  29  -0.450  -2.128  -5.246
  201   HG13  ILE  29          HG13      ILE  29  -1.062  -1.461  -6.743
  202   HG21  ILE  29          HG21      ILE  29  -1.370  -4.661  -5.060
  203   HG22  ILE  29          HG22      ILE  29   0.365  -4.746  -5.369
  204   HG23  ILE  29          HG23      ILE  29  -0.755  -5.669  -6.372
  205   HD11  ILE  29          HD11      ILE  29  -3.226  -2.625  -6.238
  206   HD12  ILE  29          HD12      ILE  29  -2.785  -1.312  -5.146
  207   HD13  ILE  29          HD13      ILE  29  -2.562  -2.988  -4.645
  208    H    GLU  30           H        GLU  30   2.576  -4.520  -6.751
  209    HA   GLU  30           HA       GLU  30   2.474  -6.573  -8.848
  210    HB2  GLU  30           HB2      GLU  30   4.875  -5.452  -7.365
  211    HB3  GLU  30           HB3      GLU  30   4.932  -6.772  -8.535
  212    HG2  GLU  30           HG2      GLU  30   3.915  -3.985  -9.095
  213    HG3  GLU  30           HG3      GLU  30   5.503  -4.563  -9.524
  214    H    PHE  31           H        PHE  31   1.918  -8.481  -8.144
  215    HA   PHE  31           HA       PHE  31   1.426  -8.973  -5.391
  216    HD1  PHE  31           HD2      PHE  31  -0.020  -8.998  -9.013
  217    HD2  PHE  31           HD1      PHE  31  -1.258 -10.373  -5.205
  218    HE1  PHE  31           HE2      PHE  31  -2.239  -7.939  -9.350
  219    HE2  PHE  31           HE1      PHE  31  -3.438  -9.319  -5.536
  220    HZ   PHE  31           HZ       PHE  31  -3.941  -8.121  -7.598
  221    HB2  PHE  31           HB2      PHE  31   1.251 -10.702  -7.855
  222    HB3  PHE  31           HB3      PHE  31   0.771 -11.254  -6.260
  223    H    VAL  32           H        VAL  32   3.753  -8.506  -4.836
  224    HA   VAL  32           HA       VAL  32   5.753 -10.379  -5.408
  225    HB   VAL  32           HB       VAL  32   5.522  -8.479  -3.084
  226   HG11  VAL  32          HG11      VAL  32   7.691 -10.397  -3.825
  227   HG12  VAL  32          HG12      VAL  32   6.999 -10.043  -2.242
  228   HG13  VAL  32          HG13      VAL  32   8.076  -8.880  -3.015
  229   HG21  VAL  32          HG21      VAL  32   5.715  -7.280  -5.120
  230   HG22  VAL  32          HG22      VAL  32   6.973  -8.363  -5.718
  231   HG23  VAL  32          HG23      VAL  32   7.315  -7.271  -4.377
  232    H    ASP  33           H        ASP  33   3.622 -10.236  -2.576
  233    HA   ASP  33           HA       ASP  33   4.126 -13.088  -2.108
  234    HB2  ASP  33           HB2      ASP  33   5.651 -11.909  -0.608
  235    HB3  ASP  33           HB3      ASP  33   4.351 -10.866  -0.058
  236    H    ASP  34           H        ASP  34   2.333 -13.965  -0.668
  237    HA   ASP  34           HA       ASP  34  -0.212 -13.140  -1.605
  238    HB2  ASP  34           HB2      ASP  34  -1.126 -14.717   0.052
  239    HB3  ASP  34           HB3      ASP  34   0.154 -15.443  -0.903
  240    H    ASP  35           H        ASP  35   1.553 -12.555   1.384
  241    HA   ASP  35           HA       ASP  35  -0.677 -11.185   2.610
  242    HB2  ASP  35           HB2      ASP  35   2.110 -11.589   3.677
  243    HB3  ASP  35           HB3      ASP  35   0.675 -11.158   4.595
  244    H    TRP  36           H        TRP  36   2.477 -10.293   1.372
  245    HA   TRP  36           HA       TRP  36   1.870  -7.456   1.924
  246    HD1  TRP  36           HD1      TRP  36   3.414  -9.931   4.185
  247    HE1  TRP  36           HE1      TRP  36   3.685  -8.845   6.507
  248    HE3  TRP  36           HE3      TRP  36   4.712  -5.217   2.752
  249    HZ2  TRP  36           HZ2      TRP  36   4.350  -6.330   7.592
  250    HZ3  TRP  36           HZ3      TRP  36   5.196  -3.548   4.489
  251    HH2  TRP  36           HH2      TRP  36   5.017  -4.094   6.859
  252    HB2  TRP  36           HB2      TRP  36   4.444  -9.003   1.713
  253    HB3  TRP  36           HB3      TRP  36   4.405  -7.259   1.529
  254    H    TRP  37           H        TRP  37   1.773  -6.113   0.209
  255    HA   TRP  37           HA       TRP  37   2.369  -7.209  -2.448
  256    HD1  TRP  37           HD1      TRP  37   0.836  -8.784  -1.782
  257    HE1  TRP  37           HE1      TRP  37  -1.408 -10.045  -1.955
  258    HE3  TRP  37           HE3      TRP  37  -2.233  -4.879  -2.940
  259    HZ2  TRP  37           HZ2      TRP  37  -4.067  -9.484  -2.486
  260    HZ3  TRP  37           HZ3      TRP  37  -4.641  -5.347  -3.280
  261    HH2  TRP  37           HH2      TRP  37  -5.523  -7.614  -3.062
  262    HB2  TRP  37           HB2      TRP  37   0.320  -5.143  -1.663
  263    HB3  TRP  37           HB3      TRP  37   0.736  -5.564  -3.314
  264    H    LEU  38           H        LEU  38   3.323  -5.819  -3.905
  265    HA   LEU  38           HA       LEU  38   4.905  -3.643  -2.706
  266    HG   LEU  38           HG       LEU  38   6.635  -3.154  -5.370
  267    HB2  LEU  38           HB2      LEU  38   6.016  -5.584  -3.766
  268    HB3  LEU  38           HB3      LEU  38   5.233  -5.176  -5.250
  269   HD11  LEU  38          HD11      LEU  38   7.929  -4.293  -2.908
  270   HD12  LEU  38          HD12      LEU  38   7.108  -2.740  -3.073
  271   HD13  LEU  38          HD13      LEU  38   8.632  -3.027  -3.912
  272   HD21  LEU  38          HD21      LEU  38   8.541  -4.198  -6.174
  273   HD22  LEU  38          HD22      LEU  38   7.273  -5.414  -6.344
  274   HD23  LEU  38          HD23      LEU  38   8.424  -5.518  -5.010
  275    H    GLY  39           H        GLY  39   4.555  -1.565  -3.517
  276    HA2  GLY  39           HA2      GLY  39   3.380  -1.228  -6.123
  277    HA3  GLY  39           HA3      GLY  39   2.311  -0.758  -4.807
  278    H    GLU  40           H        GLU  40   2.492   1.266  -5.972
  279    HA   GLU  40           HA       GLU  40   4.662   2.949  -4.915
  280    HB2  GLU  40           HB2      GLU  40   5.077   2.401  -7.283
  281    HB3  GLU  40           HB3      GLU  40   3.485   3.006  -7.694
  282    HG2  GLU  40           HG2      GLU  40   4.168   5.239  -6.899
  283    HG3  GLU  40           HG3      GLU  40   5.767   4.611  -6.561
  284    H    LEU  41           H        LEU  41   3.958   4.941  -4.165
  285    HA   LEU  41           HA       LEU  41   1.119   5.233  -3.811
  286    HG   LEU  41           HG       LEU  41   3.585   5.344  -1.725
  287    HB2  LEU  41           HB2      LEU  41   3.318   7.161  -3.179
  288    HB3  LEU  41           HB3      LEU  41   1.639   7.374  -2.748
  289   HD11  LEU  41          HD11      LEU  41   3.354   6.406   0.374
  290   HD12  LEU  41          HD12      LEU  41   1.972   7.356  -0.173
  291   HD13  LEU  41          HD13      LEU  41   3.581   7.691  -0.813
  292   HD21  LEU  41          HD21      LEU  41   1.528   4.182  -1.991
  293   HD22  LEU  41          HD22      LEU  41   0.642   5.490  -1.206
  294   HD23  LEU  41          HD23      LEU  41   1.790   4.522  -0.282
  295    H    GLU  42           H        GLU  42  -0.316   6.401  -4.916
  296    HA   GLU  42           HA       GLU  42   0.267   7.592  -7.414
  297    HB2  GLU  42           HB2      GLU  42  -1.996   6.914  -6.789
  298    HB3  GLU  42           HB3      GLU  42  -2.000   8.051  -5.454
  299    HG2  GLU  42           HG2      GLU  42  -1.584   9.820  -7.296
  300    HG3  GLU  42           HG3      GLU  42  -2.147   8.577  -8.390
  301    H    LYS  43           H        LYS  43   0.103   8.912  -4.091
  302    HA   LYS  43           HA       LYS  43   0.060  11.547  -5.080
  303    HB2  LYS  43           HB2      LYS  43   0.091  12.317  -2.854
  304    HB3  LYS  43           HB3      LYS  43  -0.905  10.877  -2.937
  305    HG2  LYS  43           HG2      LYS  43   1.095   9.596  -2.115
  306    HG3  LYS  43           HG3      LYS  43   1.858  11.153  -1.809
  307    HD2  LYS  43           HD2      LYS  43  -0.091  11.782  -0.378
  308    HD3  LYS  43           HD3      LYS  43  -0.756  10.176  -0.622
  309    HE2  LYS  43           HE2      LYS  43   1.194   9.202   0.463
  310    HE3  LYS  43           HE3      LYS  43   1.878  10.812   0.685
  311    HZ1  LYS  43           HZ1      LYS  43   0.801  10.280   2.678
  312    HZ2  LYS  43           HZ2      LYS  43  -0.584   9.700   1.882
  313    HZ3  LYS  43           HZ3      LYS  43  -0.236  11.363   1.886
  314    H    ASP  44           H        ASP  44   2.843   9.587  -4.440
  315    HA   ASP  44           HA       ASP  44   4.458  11.938  -5.024
  316    HB2  ASP  44           HB2      ASP  44   5.935  11.648  -3.153
  317    HB3  ASP  44           HB3      ASP  44   4.291  11.928  -2.623
  318    H    GLY  45           H        GLY  45   4.020   8.757  -5.831
  319    HA2  GLY  45           HA2      GLY  45   5.314   7.531  -7.299
  320    HA3  GLY  45           HA3      GLY  45   6.522   8.796  -7.230
  321    H    SER  46           H        SER  46   5.971   7.840  -4.053
  322    HA   SER  46           HA       SER  46   8.485   6.445  -3.952
  323    HG   SER  46           HG       SER  46   5.630   7.490  -1.896
  324    HB2  SER  46           HB2      SER  46   8.009   6.087  -1.584
  325    HB3  SER  46           HB3      SER  46   7.782   7.761  -2.039
  326    H    LYS  47           H        LYS  47   8.822   4.233  -3.427
  327    HA   LYS  47           HA       LYS  47   6.545   2.457  -4.057
  328    HB2  LYS  47           HB2      LYS  47   9.399   2.203  -5.025
  329    HB3  LYS  47           HB3      LYS  47   8.131   1.016  -5.282
  330    HG2  LYS  47           HG2      LYS  47   6.850   2.819  -6.471
  331    HG3  LYS  47           HG3      LYS  47   8.299   3.803  -6.380
  332    HD2  LYS  47           HD2      LYS  47   9.512   1.992  -7.596
  333    HD3  LYS  47           HD3      LYS  47   7.967   1.173  -7.805
  334    HE2  LYS  47           HE2      LYS  47   7.159   3.424  -8.778
  335    HE3  LYS  47           HE3      LYS  47   8.861   3.813  -8.918
  336    HZ1  LYS  47           HZ1      LYS  47   9.021   2.593 -10.747
  337    HZ2  LYS  47           HZ2      LYS  47   7.327   2.472 -10.742
  338    HZ3  LYS  47           HZ3      LYS  47   8.271   1.251 -10.028
  339    H    GLY  48           H        GLY  48   6.620   0.411  -3.066
  340    HA2  GLY  48           HA2      GLY  48   8.651  -0.731  -1.655
  341    HA3  GLY  48           HA3      GLY  48   7.949   0.414  -0.524
  342    H    LEU  49           H        LEU  49   7.934  -2.026   0.256
  343    HA   LEU  49           HA       LEU  49   5.684  -3.604  -0.481
  344    HG   LEU  49           HG       LEU  49   8.513  -4.389  -0.298
  345    HB2  LEU  49           HB2      LEU  49   7.552  -3.617   1.874
  346    HB3  LEU  49           HB3      LEU  49   6.268  -4.784   1.667
  347   HD11  LEU  49          HD11      LEU  49   9.390  -5.064   1.858
  348   HD12  LEU  49          HD12      LEU  49   9.472  -6.403   0.714
  349   HD13  LEU  49          HD13      LEU  49   8.211  -6.372   1.946
  350   HD21  LEU  49          HD21      LEU  49   7.787  -6.686  -0.999
  351   HD22  LEU  49          HD22      LEU  49   6.579  -5.435  -1.289
  352   HD23  LEU  49          HD23      LEU  49   6.406  -6.525   0.086
  353    H    PHE  50           H        PHE  50   3.768  -3.906   0.600
  354    HA   PHE  50           HA       PHE  50   3.227  -2.396   3.007
  355    HD1  PHE  50           HD2      PHE  50   2.852  -1.584  -1.103
  356    HD2  PHE  50           HD1      PHE  50  -0.578  -2.474   1.233
  357    HE1  PHE  50           HE2      PHE  50   1.621  -2.151  -3.122
  358    HE2  PHE  50           HE1      PHE  50  -1.809  -3.026  -0.814
  359    HZ   PHE  50           HZ       PHE  50  -0.704  -2.882  -3.000
  360    HB2  PHE  50           HB2      PHE  50   1.304  -1.231   2.176
  361    HB3  PHE  50           HB3      PHE  50   2.682  -0.797   1.188
  362    HA   PRO  51           HA       PRO  51   1.128  -6.171   3.690
  363    HB2  PRO  51           HB2      PRO  51  -0.642  -4.655   5.545
  364    HB3  PRO  51           HB3      PRO  51   0.398  -6.049   5.880
  365    HG2  PRO  51           HG2      PRO  51   1.015  -3.628   6.751
  366    HG3  PRO  51           HG3      PRO  51   2.262  -4.751   6.178
  367    HD2  PRO  51           HD2      PRO  51   1.035  -2.410   4.786
  368    HD3  PRO  51           HD3      PRO  51   2.730  -2.964   4.805
  369    H    SER  52           H        SER  52  -0.446  -7.073   2.497
  370    HA   SER  52           HA       SER  52  -2.081  -5.518   0.854
  371    HG   SER  52           HG       SER  52  -1.534  -8.757   2.219
  372    HB2  SER  52           HB2      SER  52  -3.042  -7.632   0.127
  373    HB3  SER  52           HB3      SER  52  -1.288  -7.726   0.253
  374    H    ASN  53           H        ASN  53  -2.755  -6.586   4.086
  375    HA   ASN  53           HA       ASN  53  -5.594  -6.497   3.684
  376    HB2  ASN  53           HB2      ASN  53  -5.813  -6.929   6.064
  377    HB3  ASN  53           HB3      ASN  53  -4.633  -8.018   5.354
  378   HD21  ASN  53          HD21      ASN  53  -4.866  -7.191   8.249
  379   HD22  ASN  53          HD22      ASN  53  -3.349  -6.557   8.673
  380    H    TYR  54           H        TYR  54  -3.462  -3.951   3.783
  381    HA   TYR  54           HA       TYR  54  -5.296  -2.259   5.310
  382    HD1  TYR  54           HD2      TYR  54  -2.277  -3.682   6.139
  383    HD2  TYR  54           HD1      TYR  54  -3.702   0.212   7.038
  384    HE1  TYR  54           HE2      TYR  54  -1.717  -4.014   8.498
  385    HE2  TYR  54           HE1      TYR  54  -3.151  -0.128   9.404
  386    HH   TYR  54           HH       TYR  54  -2.859  -2.192  10.943
  387    HB2  TYR  54           HB2      TYR  54  -2.490  -1.825   4.380
  388    HB3  TYR  54           HB3      TYR  54  -3.512  -0.458   4.791
  389    H    VAL  55           H        VAL  55  -5.183  -3.230   2.171
  390    HA   VAL  55           HA       VAL  55  -6.485  -0.742   1.295
  391    HB   VAL  55           HB       VAL  55  -5.330  -0.625  -0.771
  392   HG11  VAL  55          HG11      VAL  55  -3.280  -1.286   1.339
  393   HG12  VAL  55          HG12      VAL  55  -4.011   0.292   1.044
  394   HG13  VAL  55          HG13      VAL  55  -2.953  -0.432  -0.168
  395   HG21  VAL  55          HG21      VAL  55  -4.256  -3.337  -0.089
  396   HG22  VAL  55          HG22      VAL  55  -3.567  -2.327  -1.362
  397   HG23  VAL  55          HG23      VAL  55  -5.246  -2.862  -1.470
  398    H    SER  56           H        SER  56  -7.679  -0.991  -0.704
  399    HA   SER  56           HA       SER  56  -8.736  -3.687  -1.199
  400    HG   SER  56           HG       SER  56 -10.153  -0.402  -0.121
  401    HB2  SER  56           HB2      SER  56 -10.984  -2.728  -1.337
  402    HB3  SER  56           HB3      SER  56 -10.299  -2.471   0.264
  403    H    LEU  57           H        LEU  57  -8.739  -4.120  -3.420
  404    HA   LEU  57           HA       LEU  57  -7.511  -2.308  -5.168
  405    HG   LEU  57           HG       LEU  57  -7.605  -5.580  -4.722
  406    HB2  LEU  57           HB2      LEU  57  -9.326  -4.565  -5.960
  407    HB3  LEU  57           HB3      LEU  57  -8.203  -3.727  -7.007
  408   HD11  LEU  57          HD11      LEU  57  -6.848  -5.606  -7.649
  409   HD12  LEU  57          HD12      LEU  57  -8.149  -6.547  -6.918
  410   HD13  LEU  57          HD13      LEU  57  -6.472  -6.856  -6.464
  411   HD21  LEU  57          HD21      LEU  57  -5.191  -5.207  -5.454
  412   HD22  LEU  57          HD22      LEU  57  -5.931  -3.985  -4.420
  413   HD23  LEU  57          HD23      LEU  57  -5.769  -3.697  -6.153
  414    H    GLY  58           H        GLY  58  -8.182  -0.892  -6.675
  415    HA2  GLY  58           HA2      GLY  58  -9.560   0.530  -7.837
  416    HA3  GLY  58           HA3      GLY  58 -10.900  -0.531  -7.439
  417    H    ASN  59           H        ASN  59 -12.034   1.516  -7.345
  418    HA   ASN  59           HA       ASN  59 -11.474   3.334  -5.188
  419    HB2  ASN  59           HB2      ASN  59 -12.934   3.446  -7.637
  420    HB3  ASN  59           HB3      ASN  59 -14.034   3.862  -6.333
  421   HD21  ASN  59          HD21      ASN  59 -12.875   5.513  -8.488
  422   HD22  ASN  59          HD22      ASN  59 -12.086   6.809  -7.725
  Start of MODEL    5
    1    H    ALA   1           H        ALA   1  -1.993  -5.345 -13.763
    2    HA   ALA   1           HA       ALA   1  -1.089  -5.187 -11.578
    3    HB1  ALA   1           HB1      ALA   1   0.469  -3.427 -10.976
    4    HB2  ALA   1           HB2      ALA   1   0.457  -2.815 -12.631
    5    HB3  ALA   1           HB3      ALA   1   1.147  -4.400 -12.281
    6    HA   PRO   2           HA       PRO   2  -4.680  -2.395 -11.450
    7    HB2  PRO   2           HB2      PRO   2  -5.710  -3.416  -9.195
    8    HB3  PRO   2           HB3      PRO   2  -5.687  -4.405 -10.672
    9    HG2  PRO   2           HG2      PRO   2  -3.842  -4.452  -8.337
   10    HG3  PRO   2           HG3      PRO   2  -4.598  -5.802  -9.207
   11    HD2  PRO   2           HD2      PRO   2  -2.042  -4.920  -9.681
   12    HD3  PRO   2           HD3      PRO   2  -3.039  -5.772 -10.875
   13    H    TRP   3           H        TRP   3  -5.461  -0.945  -9.694
   14    HA   TRP   3           HA       TRP   3  -3.394  -0.131  -7.778
   15    HD1  TRP   3           HD1      TRP   3  -5.381   1.455 -11.436
   16    HE1  TRP   3           HE1      TRP   3  -7.732   2.439 -11.766
   17    HE3  TRP   3           HE3      TRP   3  -6.481   2.662  -6.604
   18    HZ2  TRP   3           HZ2      TRP   3  -9.790   3.527 -10.226
   19    HZ3  TRP   3           HZ3      TRP   3  -8.666   3.682  -6.131
   20    HH2  TRP   3           HH2      TRP   3 -10.283   4.105  -7.910
   21    HB2  TRP   3           HB2      TRP   3  -4.283   2.133  -7.840
   22    HB3  TRP   3           HB3      TRP   3  -3.641   1.635  -9.386
   23    H    ALA   4           H        ALA   4  -4.342   0.894  -5.844
   24    HA   ALA   4           HA       ALA   4  -6.957  -0.165  -5.071
   25    HB1  ALA   4           HB1      ALA   4  -5.116  -1.816  -4.529
   26    HB2  ALA   4           HB2      ALA   4  -6.069  -1.276  -3.147
   27    HB3  ALA   4           HB3      ALA   4  -4.462  -0.605  -3.425
   28    H    THR   5           H        THR   5  -7.622   0.615  -2.964
   29    HA   THR   5           HA       THR   5  -6.635   3.338  -2.364
   30    HB   THR   5           HB       THR   5  -9.027   3.623  -1.404
   31    HG1  THR   5           HG1      THR   5 -10.495   2.182  -2.624
   32   HG21  THR   5          HG21      THR   5  -8.190   3.551  -4.241
   33   HG22  THR   5          HG22      THR   5  -8.898   4.869  -3.308
   34   HG23  THR   5          HG23      THR   5  -9.929   3.591  -3.949
   35    H    ALA   6           H        ALA   6  -6.042   3.703  -0.272
   36    HA   ALA   6           HA       ALA   6  -5.669   1.462   1.462
   37    HB1  ALA   6           HB1      ALA   6  -5.387   4.429   1.946
   38    HB2  ALA   6           HB2      ALA   6  -4.103   3.322   1.460
   39    HB3  ALA   6           HB3      ALA   6  -4.847   3.170   3.053
   40    H    GLU   7           H        GLU   7  -6.796   0.823   3.190
   41    HA   GLU   7           HA       GLU   7  -9.399   2.142   3.668
   42    HB2  GLU   7           HB2      GLU   7  -8.415  -0.618   4.345
   43    HB3  GLU   7           HB3      GLU   7 -10.002   0.008   4.743
   44    HG2  GLU   7           HG2      GLU   7  -8.898  -0.395   1.969
   45    HG3  GLU   7           HG3      GLU   7 -10.064  -1.431   2.777
   46    H    TYR   8           H        TYR   8  -6.370   1.251   5.158
   47    HA   TYR   8           HA       TYR   8  -7.165   2.603   7.655
   48    HD1  TYR   8           HD1      TYR   8  -8.298   1.050   9.754
   49    HD2  TYR   8           HD2      TYR   8  -7.294  -1.490   6.495
   50    HE1  TYR   8           HE1      TYR   8 -10.458  -0.078  10.009
   51    HE2  TYR   8           HE2      TYR   8  -9.494  -2.634   6.736
   52    HH   TYR   8           HH       TYR   8 -11.225  -2.663   9.318
   53    HB2  TYR   8           HB2      TYR   8  -5.621  -0.009   7.513
   54    HB3  TYR   8           HB3      TYR   8  -5.992   0.890   8.972
   55    H    ASP   9           H        ASP   9  -5.372   3.617   8.665
   56    HA   ASP   9           HA       ASP   9  -3.269   4.503   6.919
   57    HB2  ASP   9           HB2      ASP   9  -3.625   4.739   9.923
   58    HB3  ASP   9           HB3      ASP   9  -2.282   5.437   9.047
   59    H    TYR  10           H        TYR  10  -1.158   3.720   6.845
   60    HA   TYR  10           HA       TYR  10  -0.403   1.606   8.747
   61    HD1  TYR  10           HD2      TYR  10   0.163  -1.039   8.500
   62    HD2  TYR  10           HD1      TYR  10   2.555   1.166   5.776
   63    HE1  TYR  10           HE2      TYR  10   2.071  -2.518   8.957
   64    HE2  TYR  10           HE1      TYR  10   4.443  -0.310   6.213
   65    HH   TYR  10           HH       TYR  10   5.173  -2.010   7.269
   66    HB2  TYR  10           HB2      TYR  10  -0.841   0.428   6.630
   67    HB3  TYR  10           HB3      TYR  10   0.241   1.533   5.783
   68    H    ASP  11           H        ASP  11   1.339   2.109   9.774
   69    HA   ASP  11           HA       ASP  11   2.995   4.340   8.812
   70    HB2  ASP  11           HB2      ASP  11   1.984   4.326  11.140
   71    HB3  ASP  11           HB3      ASP  11   3.064   2.994  11.507
   72    H    ALA  12           H        ALA  12   4.794   3.713   7.692
   73    HA   ALA  12           HA       ALA  12   5.825   1.078   7.753
   74    HB1  ALA  12           HB1      ALA  12   6.322   2.588   5.921
   75    HB2  ALA  12           HB2      ALA  12   7.818   2.056   6.689
   76    HB3  ALA  12           HB3      ALA  12   7.183   3.668   7.018
   77    H    ALA  13           H        ALA  13   7.334   0.129   8.937
   78    HA   ALA  13           HA       ALA  13   8.509   1.613  11.194
   79    HB1  ALA  13           HB1      ALA  13   8.706  -0.476  12.374
   80    HB2  ALA  13           HB2      ALA  13   8.186  -1.385  10.955
   81    HB3  ALA  13           HB3      ALA  13   7.046  -0.337  11.799
   82    H    GLU  14           H        GLU  14   9.196   0.435   8.160
   83    HA   GLU  14           HA       GLU  14  12.070   0.249   8.793
   84    HB2  GLU  14           HB2      GLU  14  10.547  -1.516   6.863
   85    HB3  GLU  14           HB3      GLU  14  12.290  -1.428   6.954
   86    HG2  GLU  14           HG2      GLU  14  12.251  -2.355   9.170
   87    HG3  GLU  14           HG3      GLU  14  10.499  -2.319   9.188
   88    H    ASP  15           H        ASP  15  13.423   0.761   6.887
   89    HA   ASP  15           HA       ASP  15  12.531   3.078   5.572
   90    HB2  ASP  15           HB2      ASP  15  14.938   1.355   5.347
   91    HB3  ASP  15           HB3      ASP  15  14.628   2.553   4.101
   92    H    ASN  16           H        ASN  16  12.579  -0.278   4.517
   93    HA   ASN  16           HA       ASN  16  11.922   0.494   1.803
   94    HB2  ASN  16           HB2      ASN  16  12.369  -2.196   3.067
   95    HB3  ASN  16           HB3      ASN  16  11.855  -1.999   1.401
   96   HD21  ASN  16          HD21      ASN  16  14.238  -3.286   2.172
   97   HD22  ASN  16          HD22      ASN  16  15.552  -2.374   1.606
   98    H    GLU  17           H        GLU  17   9.993   0.519   4.365
   99    HA   GLU  17           HA       GLU  17   7.712  -0.823   3.109
  100    HB2  GLU  17           HB2      GLU  17   8.136   0.372   5.843
  101    HB3  GLU  17           HB3      GLU  17   6.597  -0.277   5.294
  102    HG2  GLU  17           HG2      GLU  17   7.600  -2.450   4.959
  103    HG3  GLU  17           HG3      GLU  17   9.179  -1.819   5.379
  104    H    LEU  18           H        LEU  18   5.864   0.179   2.500
  105    HA   LEU  18           HA       LEU  18   5.983   3.000   1.806
  106    HG   LEU  18           HG       LEU  18   3.251   3.554   0.809
  107    HB2  LEU  18           HB2      LEU  18   4.807   0.998   0.579
  108    HB3  LEU  18           HB3      LEU  18   3.522   1.311   1.715
  109   HD11  LEU  18          HD11      LEU  18   5.026   4.497  -0.196
  110   HD12  LEU  18          HD12      LEU  18   4.585   3.543  -1.612
  111   HD13  LEU  18          HD13      LEU  18   5.795   2.938  -0.481
  112   HD21  LEU  18          HD21      LEU  18   1.830   2.182  -0.276
  113   HD22  LEU  18          HD22      LEU  18   3.115   1.103  -0.818
  114   HD23  LEU  18          HD23      LEU  18   2.838   2.635  -1.647
  115    H    THR  19           H        THR  19   4.968   4.565   2.788
  116    HA   THR  19           HA       THR  19   3.399   4.115   5.247
  117    HB   THR  19           HB       THR  19   5.140   6.499   4.492
  118    HG1  THR  19           HG1      THR  19   5.393   4.533   6.525
  119   HG21  THR  19          HG21      THR  19   3.620   5.951   7.063
  120   HG22  THR  19          HG22      THR  19   3.144   7.134   5.846
  121   HG23  THR  19          HG23      THR  19   4.650   7.345   6.737
  122    H    PHE  20           H        PHE  20   1.331   4.800   5.026
  123    HA   PHE  20           HA       PHE  20   0.657   6.979   3.279
  124    HD1  PHE  20           HD1      PHE  20  -2.281   4.058   3.537
  125    HD2  PHE  20           HD2      PHE  20   1.406   3.113   1.636
  126    HE1  PHE  20           HE1      PHE  20  -2.768   1.667   3.772
  127    HE2  PHE  20           HE2      PHE  20   0.924   0.721   1.899
  128    HZ   PHE  20           HZ       PHE  20  -1.158  -0.001   2.971
  129    HB2  PHE  20           HB2      PHE  20  -0.985   5.688   1.960
  130    HB3  PHE  20           HB3      PHE  20   0.686   5.305   1.609
  131    H    VAL  21           H        VAL  21  -1.775   7.336   3.302
  132    HA   VAL  21           HA       VAL  21  -2.843   6.547   5.928
  133    HB   VAL  21           HB       VAL  21  -4.061   8.709   6.003
  134   HG11  VAL  21          HG11      VAL  21  -1.056   8.933   5.879
  135   HG12  VAL  21          HG12      VAL  21  -2.000   8.365   7.256
  136   HG13  VAL  21          HG13      VAL  21  -2.142  10.039   6.719
  137   HG21  VAL  21          HG21      VAL  21  -2.220   9.579   3.787
  138   HG22  VAL  21          HG22      VAL  21  -3.493  10.520   4.563
  139   HG23  VAL  21          HG23      VAL  21  -3.909   9.143   3.544
  140    H    GLU  22           H        GLU  22  -5.178   6.562   6.047
  141    HA   GLU  22           HA       GLU  22  -6.506   4.981   4.242
  142    HB2  GLU  22           HB2      GLU  22  -7.250   5.707   6.575
  143    HB3  GLU  22           HB3      GLU  22  -7.784   7.214   5.849
  144    HG2  GLU  22           HG2      GLU  22  -9.255   5.885   4.322
  145    HG3  GLU  22           HG3      GLU  22  -8.788   4.438   5.190
  146    H    ASN  23           H        ASN  23  -7.527   5.317   2.393
  147    HA   ASN  23           HA       ASN  23  -8.431   6.204   0.595
  148    HB2  ASN  23           HB2      ASN  23  -8.280   8.798   2.025
  149    HB3  ASN  23           HB3      ASN  23  -8.925   8.614   0.398
  150   HD21  ASN  23          HD21      ASN  23 -10.105   9.240   3.142
  151   HD22  ASN  23          HD22      ASN  23 -11.433   8.189   3.270
  152    H    ASP  24           H        ASP  24  -5.273   6.803   1.396
  153    HA   ASP  24           HA       ASP  24  -4.522   8.182  -1.028
  154    HB2  ASP  24           HB2      ASP  24  -3.025   6.348   0.844
  155    HB3  ASP  24           HB3      ASP  24  -2.305   6.985  -0.619
  156    H    LYS  25           H        LYS  25  -3.840   7.226  -2.956
  157    HA   LYS  25           HA       LYS  25  -4.779   4.500  -3.443
  158    HB2  LYS  25           HB2      LYS  25  -4.062   6.753  -5.296
  159    HB3  LYS  25           HB3      LYS  25  -4.412   5.121  -5.844
  160    HG2  LYS  25           HG2      LYS  25  -6.647   5.270  -4.832
  161    HG3  LYS  25           HG3      LYS  25  -6.290   6.917  -4.309
  162    HD2  LYS  25           HD2      LYS  25  -5.970   7.618  -6.635
  163    HD3  LYS  25           HD3      LYS  25  -6.242   5.972  -7.188
  164    HE2  LYS  25           HE2      LYS  25  -8.545   6.060  -6.356
  165    HE3  LYS  25           HE3      LYS  25  -8.276   7.689  -5.749
  166    HZ1  LYS  25           HZ1      LYS  25  -7.819   8.395  -8.059
  167    HZ2  LYS  25           HZ2      LYS  25  -9.395   7.790  -7.868
  168    HZ3  LYS  25           HZ3      LYS  25  -8.199   6.833  -8.604
  169    H    ILE  26           H        ILE  26  -3.485   2.903  -4.092
  170    HA   ILE  26           HA       ILE  26  -0.567   3.380  -4.293
  171    HB   ILE  26           HB       ILE  26  -2.049   0.923  -3.266
  172   HG12  ILE  26          HG12      ILE  26  -0.425   1.471  -1.298
  173   HG13  ILE  26          HG13      ILE  26  -0.441   3.080  -1.970
  174   HG21  ILE  26          HG21      ILE  26   0.859   1.493  -3.861
  175   HG22  ILE  26          HG22      ILE  26  -0.142   0.181  -4.484
  176   HG23  ILE  26          HG23      ILE  26   0.356   0.183  -2.793
  177   HD11  ILE  26          HD11      ILE  26  -1.984   2.801  -0.066
  178   HD12  ILE  26          HD12      ILE  26  -2.882   1.595  -0.986
  179   HD13  ILE  26          HD13      ILE  26  -2.826   3.267  -1.544
  180    H    ILE  27           H        ILE  27   0.120   2.933  -6.297
  181    HA   ILE  27           HA       ILE  27  -1.697   1.529  -8.115
  182    HB   ILE  27           HB       ILE  27  -0.984   2.958  -9.881
  183   HG12  ILE  27          HG12      ILE  27   0.957   4.270  -7.988
  184   HG13  ILE  27          HG13      ILE  27   1.408   3.069  -9.190
  185   HG21  ILE  27          HG21      ILE  27  -1.352   4.739  -7.477
  186   HG22  ILE  27          HG22      ILE  27  -2.657   3.830  -8.240
  187   HG23  ILE  27          HG23      ILE  27  -1.802   5.076  -9.149
  188   HD11  ILE  27          HD11      ILE  27   1.749   5.481  -9.895
  189   HD12  ILE  27          HD12      ILE  27  -0.006   5.653  -9.892
  190   HD13  ILE  27          HD13      ILE  27   0.767   4.517 -10.997
  191    H    ASN  28           H        ASN  28  -0.658   0.611 -10.066
  192    HA   ASN  28           HA       ASN  28   0.602  -1.073 -10.937
  193    HB2  ASN  28           HB2      ASN  28   2.833   0.585  -9.791
  194    HB3  ASN  28           HB3      ASN  28   3.017  -0.691 -10.984
  195   HD21  ASN  28          HD21      ASN  28   3.300   2.438 -10.908
  196   HD22  ASN  28          HD22      ASN  28   2.545   2.932 -12.345
  197    H    ILE  29           H        ILE  29  -0.524  -1.972  -8.754
  198    HA   ILE  29           HA       ILE  29   1.309  -2.904  -6.792
  199    HB   ILE  29           HB       ILE  29  -1.482  -3.775  -7.494
  200   HG12  ILE  29          HG12      ILE  29  -0.426  -2.083  -5.243
  201   HG13  ILE  29          HG13      ILE  29  -1.027  -1.431  -6.750
  202   HG21  ILE  29          HG21      ILE  29  -0.424  -5.617  -6.328
  203   HG22  ILE  29          HG22      ILE  29  -1.519  -4.793  -5.219
  204   HG23  ILE  29          HG23      ILE  29   0.220  -4.522  -5.105
  205   HD11  ILE  29          HD11      ILE  29  -2.676  -1.296  -4.977
  206   HD12  ILE  29          HD12      ILE  29  -2.609  -3.047  -4.773
  207   HD13  ILE  29          HD13      ILE  29  -3.223  -2.355  -6.274
  208    H    GLU  30           H        GLU  30   2.533  -4.570  -6.726
  209    HA   GLU  30           HA       GLU  30   2.353  -6.658  -8.787
  210    HB2  GLU  30           HB2      GLU  30   4.795  -5.381  -7.514
  211    HB3  GLU  30           HB3      GLU  30   4.858  -6.868  -8.467
  212    HG2  GLU  30           HG2      GLU  30   3.907  -5.732 -10.383
  213    HG3  GLU  30           HG3      GLU  30   3.670  -4.275  -9.454
  214    H    PHE  31           H        PHE  31   1.811  -8.529  -7.986
  215    HA   PHE  31           HA       PHE  31   1.506  -8.924  -5.185
  216    HD1  PHE  31           HD1      PHE  31  -1.158  -9.855  -4.769
  217    HD2  PHE  31           HD2      PHE  31  -0.214  -9.312  -8.862
  218    HE1  PHE  31           HE1      PHE  31  -3.287  -8.705  -5.110
  219    HE2  PHE  31           HE2      PHE  31  -2.381  -8.152  -9.206
  220    HZ   PHE  31           HZ       PHE  31  -3.910  -7.868  -7.313
  221    HB2  PHE  31           HB2      PHE  31   1.113 -10.764  -7.549
  222    HB3  PHE  31           HB3      PHE  31   0.665 -11.168  -5.900
  223    H    VAL  32           H        VAL  32   3.811  -8.580  -4.686
  224    HA   VAL  32           HA       VAL  32   5.781 -10.408  -5.433
  225    HB   VAL  32           HB       VAL  32   5.646  -8.740  -2.927
  226   HG11  VAL  32          HG11      VAL  32   8.199  -9.048  -3.064
  227   HG12  VAL  32          HG12      VAL  32   7.825 -10.454  -4.062
  228   HG13  VAL  32          HG13      VAL  32   7.224 -10.361  -2.407
  229   HG21  VAL  32          HG21      VAL  32   5.634  -7.344  -4.866
  230   HG22  VAL  32          HG22      VAL  32   6.940  -8.271  -5.609
  231   HG23  VAL  32          HG23      VAL  32   7.255  -7.296  -4.173
  232    H    ASP  33           H        ASP  33   3.742 -10.480  -2.532
  233    HA   ASP  33           HA       ASP  33   4.360 -13.346  -2.243
  234    HB2  ASP  33           HB2      ASP  33   4.294 -11.268  -0.034
  235    HB3  ASP  33           HB3      ASP  33   4.453 -13.000   0.213
  236    H    ASP  34           H        ASP  34   2.603 -14.184  -0.498
  237    HA   ASP  34           HA       ASP  34   0.037 -13.709  -1.656
  238    HB2  ASP  34           HB2      ASP  34  -0.817 -15.186   0.112
  239    HB3  ASP  34           HB3      ASP  34   0.568 -15.891  -0.700
  240    H    ASP  35           H        ASP  35   1.690 -12.566   1.212
  241    HA   ASP  35           HA       ASP  35  -0.710 -11.127   2.087
  242    HB2  ASP  35           HB2      ASP  35   0.439 -11.012   4.278
  243    HB3  ASP  35           HB3      ASP  35   0.165 -12.656   3.715
  244    H    TRP  36           H        TRP  36   2.561 -10.582   1.100
  245    HA   TRP  36           HA       TRP  36   2.300  -7.705   1.703
  246    HD1  TRP  36           HD1      TRP  36   4.241 -10.305   4.063
  247    HE1  TRP  36           HE1      TRP  36   4.434  -9.003   6.283
  248    HE3  TRP  36           HE3      TRP  36   4.519  -5.561   2.224
  249    HZ2  TRP  36           HZ2      TRP  36   4.664  -6.328   7.142
  250    HZ3  TRP  36           HZ3      TRP  36   4.772  -3.698   3.804
  251    HH2  TRP  36           HH2      TRP  36   4.842  -4.072   6.212
  252    HB2  TRP  36           HB2      TRP  36   4.614  -9.598   1.527
  253    HB3  TRP  36           HB3      TRP  36   4.866  -7.895   1.179
  254    H    TRP  37           H        TRP  37   2.121  -6.387   0.007
  255    HA   TRP  37           HA       TRP  37   2.759  -7.406  -2.672
  256    HD1  TRP  37           HD1      TRP  37   1.210  -9.032  -1.859
  257    HE1  TRP  37           HE1      TRP  37  -1.037 -10.294  -1.808
  258    HE3  TRP  37           HE3      TRP  37  -1.938  -5.185  -3.010
  259    HZ2  TRP  37           HZ2      TRP  37  -3.728  -9.759  -2.184
  260    HZ3  TRP  37           HZ3      TRP  37  -4.361  -5.668  -3.158
  261    HH2  TRP  37           HH2      TRP  37  -5.224  -7.919  -2.758
  262    HB2  TRP  37           HB2      TRP  37   0.664  -5.363  -1.952
  263    HB3  TRP  37           HB3      TRP  37   1.046  -5.941  -3.564
  264    H    LEU  38           H        LEU  38   3.475  -5.796  -4.141
  265    HA   LEU  38           HA       LEU  38   5.055  -3.666  -2.853
  266    HG   LEU  38           HG       LEU  38   6.555  -2.915  -5.630
  267    HB2  LEU  38           HB2      LEU  38   6.227  -5.437  -4.083
  268    HB3  LEU  38           HB3      LEU  38   5.313  -5.041  -5.494
  269   HD11  LEU  38          HD11      LEU  38   7.127  -2.668  -3.276
  270   HD12  LEU  38          HD12      LEU  38   8.556  -2.577  -4.306
  271   HD13  LEU  38          HD13      LEU  38   8.220  -4.048  -3.394
  272   HD21  LEU  38          HD21      LEU  38   7.282  -5.117  -6.713
  273   HD22  LEU  38          HD22      LEU  38   8.553  -5.127  -5.489
  274   HD23  LEU  38          HD23      LEU  38   8.440  -3.790  -6.636
  275    H    GLY  39           H        GLY  39   4.428  -1.578  -3.368
  276    HA2  GLY  39           HA2      GLY  39   3.139  -1.107  -5.928
  277    HA3  GLY  39           HA3      GLY  39   2.161  -0.749  -4.510
  278    H    GLU  40           H        GLU  40   2.589   1.214  -6.149
  279    HA   GLU  40           HA       GLU  40   4.647   2.939  -4.930
  280    HB2  GLU  40           HB2      GLU  40   5.067   2.400  -7.285
  281    HB3  GLU  40           HB3      GLU  40   3.458   2.955  -7.705
  282    HG2  GLU  40           HG2      GLU  40   4.082   5.219  -6.952
  283    HG3  GLU  40           HG3      GLU  40   5.697   4.639  -6.598
  284    H    LEU  41           H        LEU  41   3.957   4.941  -4.165
  285    HA   LEU  41           HA       LEU  41   1.118   5.233  -3.811
  286    HG   LEU  41           HG       LEU  41   3.585   5.343  -1.725
  287    HB2  LEU  41           HB2      LEU  41   3.318   7.162  -3.178
  288    HB3  LEU  41           HB3      LEU  41   1.639   7.374  -2.748
  289   HD11  LEU  41          HD11      LEU  41   3.354   6.407   0.374
  290   HD12  LEU  41          HD12      LEU  41   1.972   7.355  -0.173
  291   HD13  LEU  41          HD13      LEU  41   3.581   7.691  -0.813
  292   HD21  LEU  41          HD21      LEU  41   1.527   4.182  -1.991
  293   HD22  LEU  41          HD22      LEU  41   0.642   5.490  -1.206
  294   HD23  LEU  41          HD23      LEU  41   1.789   4.521  -0.282
  295    H    GLU  42           H        GLU  42  -0.316   6.401  -4.916
  296    HA   GLU  42           HA       GLU  42   0.266   7.593  -7.413
  297    HB2  GLU  42           HB2      GLU  42  -1.997   6.914  -6.789
  298    HB3  GLU  42           HB3      GLU  42  -2.000   8.051  -5.453
  299    HG2  GLU  42           HG2      GLU  42  -1.584   9.820  -7.296
  300    HG3  GLU  42           HG3      GLU  42  -2.148   8.577  -8.391
  301    H    LYS  43           H        LYS  43   0.103   8.913  -4.090
  302    HA   LYS  43           HA       LYS  43   0.061  11.548  -5.080
  303    HB2  LYS  43           HB2      LYS  43   0.091  12.316  -2.853
  304    HB3  LYS  43           HB3      LYS  43  -0.905  10.878  -2.937
  305    HG2  LYS  43           HG2      LYS  43   1.095   9.596  -2.115
  306    HG3  LYS  43           HG3      LYS  43   1.858  11.153  -1.809
  307    HD2  LYS  43           HD2      LYS  43  -0.091  11.783  -0.378
  308    HD3  LYS  43           HD3      LYS  43  -0.756  10.176  -0.622
  309    HE2  LYS  43           HE2      LYS  43   1.193   9.202   0.462
  310    HE3  LYS  43           HE3      LYS  43   1.878  10.812   0.685
  311    HZ1  LYS  43           HZ1      LYS  43   0.801  10.279   2.678
  312    HZ2  LYS  43           HZ2      LYS  43  -0.584   9.701   1.882
  313    HZ3  LYS  43           HZ3      LYS  43  -0.236  11.363   1.886
  314    H    ASP  44           H        ASP  44   2.843   9.587  -4.440
  315    HA   ASP  44           HA       ASP  44   4.457  11.938  -5.025
  316    HB2  ASP  44           HB2      ASP  44   5.935  11.648  -3.153
  317    HB3  ASP  44           HB3      ASP  44   4.291  11.928  -2.623
  318    H    GLY  45           H        GLY  45   4.020   8.757  -5.831
  319    HA2  GLY  45           HA2      GLY  45   5.315   7.532  -7.298
  320    HA3  GLY  45           HA3      GLY  45   6.522   8.796  -7.230
  321    H    SER  46           H        SER  46   5.971   7.840  -4.053
  322    HA   SER  46           HA       SER  46   8.485   6.445  -3.951
  323    HG   SER  46           HG       SER  46   5.631   7.490  -1.897
  324    HB2  SER  46           HB2      SER  46   8.010   6.087  -1.583
  325    HB3  SER  46           HB3      SER  46   7.782   7.761  -2.039
  326    H    LYS  47           H        LYS  47   8.822   4.232  -3.427
  327    HA   LYS  47           HA       LYS  47   6.545   2.457  -4.057
  328    HB2  LYS  47           HB2      LYS  47   9.399   2.203  -5.026
  329    HB3  LYS  47           HB3      LYS  47   8.132   1.016  -5.282
  330    HG2  LYS  47           HG2      LYS  47   6.849   2.819  -6.471
  331    HG3  LYS  47           HG3      LYS  47   8.300   3.803  -6.380
  332    HD2  LYS  47           HD2      LYS  47   9.513   1.992  -7.595
  333    HD3  LYS  47           HD3      LYS  47   7.967   1.173  -7.804
  334    HE2  LYS  47           HE2      LYS  47   7.159   3.424  -8.777
  335    HE3  LYS  47           HE3      LYS  47   8.861   3.813  -8.918
  336    HZ1  LYS  47           HZ1      LYS  47   9.022   2.593 -10.747
  337    HZ2  LYS  47           HZ2      LYS  47   7.327   2.472 -10.743
  338    HZ3  LYS  47           HZ3      LYS  47   8.270   1.252 -10.028
  339    H    GLY  48           H        GLY  48   6.620   0.411  -3.065
  340    HA2  GLY  48           HA2      GLY  48   8.657  -0.722  -1.649
  341    HA3  GLY  48           HA3      GLY  48   7.935   0.415  -0.520
  342    H    LEU  49           H        LEU  49   7.957  -2.064   0.209
  343    HA   LEU  49           HA       LEU  49   5.715  -3.641  -0.534
  344    HG   LEU  49           HG       LEU  49   8.577  -4.368  -0.324
  345    HB2  LEU  49           HB2      LEU  49   7.556  -3.662   1.844
  346    HB3  LEU  49           HB3      LEU  49   6.302  -4.849   1.589
  347   HD11  LEU  49          HD11      LEU  49   9.634  -6.287   0.668
  348   HD12  LEU  49          HD12      LEU  49   8.281  -6.503   1.779
  349   HD13  LEU  49          HD13      LEU  49   9.323  -5.086   1.920
  350   HD21  LEU  49          HD21      LEU  49   6.621  -5.428  -1.327
  351   HD22  LEU  49          HD22      LEU  49   6.561  -6.609  -0.018
  352   HD23  LEU  49          HD23      LEU  49   7.914  -6.613  -1.149
  353    H    PHE  50           H        PHE  50   3.770  -3.897   0.463
  354    HA   PHE  50           HA       PHE  50   3.211  -2.385   2.884
  355    HD1  PHE  50           HD2      PHE  50   2.797  -1.667  -1.250
  356    HD2  PHE  50           HD1      PHE  50  -0.574  -2.680   1.121
  357    HE1  PHE  50           HE2      PHE  50   1.586  -2.334  -3.252
  358    HE2  PHE  50           HE1      PHE  50  -1.786  -3.331  -0.911
  359    HZ   PHE  50           HZ       PHE  50  -0.699  -3.176  -3.104
  360    HB2  PHE  50           HB2      PHE  50   1.249  -1.309   2.021
  361    HB3  PHE  50           HB3      PHE  50   2.614  -0.857   1.021
  362    HA   PRO  51           HA       PRO  51   1.201  -6.181   3.683
  363    HB2  PRO  51           HB2      PRO  51  -0.638  -4.675   5.473
  364    HB3  PRO  51           HB3      PRO  51   0.467  -6.002   5.865
  365    HG2  PRO  51           HG2      PRO  51   0.965  -3.528   6.649
  366    HG3  PRO  51           HG3      PRO  51   2.267  -4.604   6.112
  367    HD2  PRO  51           HD2      PRO  51   0.918  -2.388   4.620
  368    HD3  PRO  51           HD3      PRO  51   2.644  -2.835   4.682
  369    H    SER  52           H        SER  52  -0.330  -7.178   2.514
  370    HA   SER  52           HA       SER  52  -2.009  -5.740   0.810
  371    HG   SER  52           HG       SER  52  -1.339  -8.904   2.282
  372    HB2  SER  52           HB2      SER  52  -2.891  -7.917   0.154
  373    HB3  SER  52           HB3      SER  52  -1.135  -7.933   0.281
  374    H    ASN  53           H        ASN  53  -2.637  -6.605   4.084
  375    HA   ASN  53           HA       ASN  53  -5.496  -6.611   3.626
  376    HB2  ASN  53           HB2      ASN  53  -3.857  -7.035   6.123
  377    HB3  ASN  53           HB3      ASN  53  -5.608  -6.913   6.158
  378   HD21  ASN  53          HD21      ASN  53  -4.197  -9.319   6.997
  379   HD22  ASN  53          HD22      ASN  53  -4.616 -10.583   5.945
  380    H    TYR  54           H        TYR  54  -3.503  -4.054   3.628
  381    HA   TYR  54           HA       TYR  54  -5.277  -2.435   5.315
  382    HD1  TYR  54           HD1      TYR  54  -2.341  -3.885   6.170
  383    HD2  TYR  54           HD2      TYR  54  -3.615   0.078   6.996
  384    HE1  TYR  54           HE1      TYR  54  -1.863  -4.231   8.551
  385    HE2  TYR  54           HE2      TYR  54  -3.148  -0.275   9.371
  386    HH   TYR  54           HH       TYR  54  -3.037  -2.798  10.855
  387    HB2  TYR  54           HB2      TYR  54  -2.481  -1.975   4.379
  388    HB3  TYR  54           HB3      TYR  54  -3.499  -0.604   4.790
  389    H    VAL  55           H        VAL  55  -5.154  -3.285   2.123
  390    HA   VAL  55           HA       VAL  55  -6.533  -0.798   1.367
  391    HB   VAL  55           HB       VAL  55  -5.467  -0.783  -0.842
  392   HG11  VAL  55          HG11      VAL  55  -2.960  -0.542   0.165
  393   HG12  VAL  55          HG12      VAL  55  -3.929  -0.408   1.632
  394   HG13  VAL  55          HG13      VAL  55  -4.209   0.696   0.286
  395   HG21  VAL  55          HG21      VAL  55  -3.713  -2.984   0.211
  396   HG22  VAL  55          HG22      VAL  55  -3.577  -2.190  -1.359
  397   HG23  VAL  55          HG23      VAL  55  -4.992  -3.177  -0.987
  398    H    SER  56           H        SER  56  -7.708  -1.012  -0.674
  399    HA   SER  56           HA       SER  56  -8.754  -3.704  -1.203
  400    HG   SER  56           HG       SER  56  -9.788  -0.361  -0.666
  401    HB2  SER  56           HB2      SER  56 -10.995  -2.830  -1.265
  402    HB3  SER  56           HB3      SER  56 -10.286  -2.385   0.280
  403    H    LEU  57           H        LEU  57  -8.739  -4.121  -3.420
  404    HA   LEU  57           HA       LEU  57  -7.511  -2.308  -5.168
  405    HG   LEU  57           HG       LEU  57  -7.604  -5.579  -4.723
  406    HB2  LEU  57           HB2      LEU  57  -9.326  -4.564  -5.960
  407    HB3  LEU  57           HB3      LEU  57  -8.203  -3.728  -7.007
  408   HD11  LEU  57          HD11      LEU  57  -6.847  -5.606  -7.649
  409   HD12  LEU  57          HD12      LEU  57  -8.148  -6.547  -6.918
  410   HD13  LEU  57          HD13      LEU  57  -6.472  -6.856  -6.465
  411   HD21  LEU  57          HD21      LEU  57  -5.190  -5.207  -5.454
  412   HD22  LEU  57          HD22      LEU  57  -5.931  -3.985  -4.420
  413   HD23  LEU  57          HD23      LEU  57  -5.770  -3.697  -6.152
  414    H    GLY  58           H        GLY  58  -8.181  -0.893  -6.675
  415    HA2  GLY  58           HA2      GLY  58  -9.559   0.530  -7.838
  416    HA3  GLY  58           HA3      GLY  58 -10.900  -0.531  -7.439
  417    H    ASN  59           H        ASN  59 -12.034   1.516  -7.345
  418    HA   ASN  59           HA       ASN  59 -11.474   3.334  -5.187
  419    HB2  ASN  59           HB2      ASN  59 -12.934   3.447  -7.637
  420    HB3  ASN  59           HB3      ASN  59 -14.033   3.861  -6.333
  421   HD21  ASN  59          HD21      ASN  59 -12.874   5.512  -8.488
  422   HD22  ASN  59          HD22      ASN  59 -12.086   6.808  -7.724
  Start of MODEL    6
    1    H    ALA   1           H        ALA   1  -1.141  -3.985 -14.285
    2    HA   ALA   1           HA       ALA   1  -1.104  -5.197 -11.593
    3    HB1  ALA   1           HB1      ALA   1   0.396  -3.318 -10.977
    4    HB2  ALA   1           HB2      ALA   1   0.532  -2.906 -12.686
    5    HB3  ALA   1           HB3      ALA   1   1.141  -4.454 -12.102
    6    HA   PRO   2           HA       PRO   2  -4.679  -2.394 -11.450
    7    HB2  PRO   2           HB2      PRO   2  -5.710  -3.416  -9.195
    8    HB3  PRO   2           HB3      PRO   2  -5.687  -4.406 -10.672
    9    HG2  PRO   2           HG2      PRO   2  -3.842  -4.452  -8.336
   10    HG3  PRO   2           HG3      PRO   2  -4.597  -5.803  -9.207
   11    HD2  PRO   2           HD2      PRO   2  -2.042  -4.920  -9.680
   12    HD3  PRO   2           HD3      PRO   2  -3.039  -5.772 -10.875
   13    H    TRP   3           H        TRP   3  -5.462  -0.945  -9.694
   14    HA   TRP   3           HA       TRP   3  -3.394  -0.131  -7.777
   15    HD1  TRP   3           HD1      TRP   3  -5.381   1.456 -11.435
   16    HE1  TRP   3           HE1      TRP   3  -7.733   2.440 -11.765
   17    HE3  TRP   3           HE3      TRP   3  -6.481   2.662  -6.604
   18    HZ2  TRP   3           HZ2      TRP   3  -9.790   3.528 -10.226
   19    HZ3  TRP   3           HZ3      TRP   3  -8.666   3.682  -6.131
   20    HH2  TRP   3           HH2      TRP   3 -10.282   4.106  -7.910
   21    HB2  TRP   3           HB2      TRP   3  -4.283   2.133  -7.840
   22    HB3  TRP   3           HB3      TRP   3  -3.641   1.634  -9.385
   23    H    ALA   4           H        ALA   4  -4.342   0.894  -5.843
   24    HA   ALA   4           HA       ALA   4  -6.957  -0.165  -5.071
   25    HB1  ALA   4           HB1      ALA   4  -5.116  -1.816  -4.529
   26    HB2  ALA   4           HB2      ALA   4  -6.069  -1.275  -3.147
   27    HB3  ALA   4           HB3      ALA   4  -4.461  -0.606  -3.426
   28    H    THR   5           H        THR   5  -7.619   0.614  -2.961
   29    HA   THR   5           HA       THR   5  -6.630   3.335  -2.358
   30    HB   THR   5           HB       THR   5  -9.457   2.251  -2.018
   31    HG1  THR   5           HG1      THR   5  -8.122   3.690  -4.012
   32   HG21  THR   5          HG21      THR   5  -9.993   4.632  -1.599
   33   HG22  THR   5          HG22      THR   5  -8.271   5.008  -1.655
   34   HG23  THR   5          HG23      THR   5  -8.907   3.974  -0.378
   35    H    ALA   6           H        ALA   6  -5.891   3.594  -0.322
   36    HA   ALA   6           HA       ALA   6  -5.623   1.371   1.422
   37    HB1  ALA   6           HB1      ALA   6  -5.218   4.334   1.817
   38    HB2  ALA   6           HB2      ALA   6  -3.984   3.115   1.493
   39    HB3  ALA   6           HB3      ALA   6  -4.829   3.127   3.042
   40    H    GLU   7           H        GLU   7  -6.790   0.719   3.106
   41    HA   GLU   7           HA       GLU   7  -9.368   2.067   3.587
   42    HB2  GLU   7           HB2      GLU   7  -8.333  -0.669   4.274
   43    HB3  GLU   7           HB3      GLU   7  -9.887  -0.054   4.800
   44    HG2  GLU   7           HG2      GLU   7 -10.623   0.130   2.497
   45    HG3  GLU   7           HG3      GLU   7  -9.040  -0.375   1.926
   46    H    TYR   8           H        TYR   8  -6.329   1.269   5.103
   47    HA   TYR   8           HA       TYR   8  -7.127   2.718   7.542
   48    HD1  TYR   8           HD1      TYR   8  -8.295   1.216   9.696
   49    HD2  TYR   8           HD2      TYR   8  -7.243  -1.406   6.517
   50    HE1  TYR   8           HE1      TYR   8 -10.454   0.086   9.954
   51    HE2  TYR   8           HE2      TYR   8  -9.442  -2.551   6.761
   52    HH   TYR   8           HH       TYR   8 -11.612  -1.695   9.446
   53    HB2  TYR   8           HB2      TYR   8  -5.583   0.103   7.533
   54    HB3  TYR   8           HB3      TYR   8  -5.991   1.061   8.944
   55    H    ASP   9           H        ASP   9  -5.309   3.729   8.539
   56    HA   ASP   9           HA       ASP   9  -3.223   4.591   6.773
   57    HB2  ASP   9           HB2      ASP   9  -3.514   4.785   9.785
   58    HB3  ASP   9           HB3      ASP   9  -2.174   5.473   8.896
   59    H    TYR  10           H        TYR  10  -1.147   3.752   6.602
   60    HA   TYR  10           HA       TYR  10  -0.335   1.645   8.482
   61    HD1  TYR  10           HD1      TYR  10   0.363  -0.786   8.397
   62    HD2  TYR  10           HD2      TYR  10   2.346   1.003   5.099
   63    HE1  TYR  10           HE1      TYR  10   2.388  -2.017   8.966
   64    HE2  TYR  10           HE2      TYR  10   4.383  -0.250   5.661
   65    HH   TYR  10           HH       TYR  10   5.168  -2.053   6.922
   66    HB2  TYR  10           HB2      TYR  10  -0.908   0.387   6.476
   67    HB3  TYR  10           HB3      TYR  10   0.040   1.490   5.478
   68    H    ASP  11           H        ASP  11   1.480   2.120   9.383
   69    HA   ASP  11           HA       ASP  11   3.130   4.279   8.243
   70    HB2  ASP  11           HB2      ASP  11   2.190   4.416  10.608
   71    HB3  ASP  11           HB3      ASP  11   3.292   3.111  11.013
   72    H    ALA  12           H        ALA  12   4.987   3.649   7.238
   73    HA   ALA  12           HA       ALA  12   5.915   0.977   7.285
   74    HB1  ALA  12           HB1      ALA  12   7.338   3.539   6.594
   75    HB2  ALA  12           HB2      ALA  12   6.534   2.436   5.478
   76    HB3  ALA  12           HB3      ALA  12   7.997   1.928   6.322
   77    H    ALA  13           H        ALA  13   7.344  -0.047   8.505
   78    HA   ALA  13           HA       ALA  13   8.509   1.364  10.813
   79    HB1  ALA  13           HB1      ALA  13   7.080  -0.399  11.595
   80    HB2  ALA  13           HB2      ALA  13   8.746  -0.944  11.801
   81    HB3  ALA  13           HB3      ALA  13   7.778  -1.548  10.453
   82    H    GLU  14           H        GLU  14   9.256   0.239   7.786
   83    HA   GLU  14           HA       GLU  14  12.099  -0.046   8.497
   84    HB2  GLU  14           HB2      GLU  14  10.565  -1.831   6.596
   85    HB3  GLU  14           HB3      GLU  14  12.309  -1.757   6.670
   86    HG2  GLU  14           HG2      GLU  14  12.276  -2.620   8.918
   87    HG3  GLU  14           HG3      GLU  14  10.523  -2.589   8.932
   88    H    ASP  15           H        ASP  15  13.496   0.344   6.566
   89    HA   ASP  15           HA       ASP  15  12.745   2.682   5.217
   90    HB2  ASP  15           HB2      ASP  15  15.016   0.785   4.977
   91    HB3  ASP  15           HB3      ASP  15  14.767   1.977   3.713
   92    H    ASN  16           H        ASN  16  12.549  -0.687   4.198
   93    HA   ASN  16           HA       ASN  16  11.878   0.100   1.493
   94    HB2  ASN  16           HB2      ASN  16  11.767  -2.289   0.999
   95    HB3  ASN  16           HB3      ASN  16  13.276  -1.843   1.774
   96   HD21  ASN  16          HD21      ASN  16  13.009  -4.367   1.914
   97   HD22  ASN  16          HD22      ASN  16  12.402  -4.925   3.397
   98    H    GLU  17           H        GLU  17  10.020   0.195   4.148
   99    HA   GLU  17           HA       GLU  17   7.609  -0.885   2.876
  100    HB2  GLU  17           HB2      GLU  17   8.119   0.145   5.667
  101    HB3  GLU  17           HB3      GLU  17   6.578  -0.478   5.094
  102    HG2  GLU  17           HG2      GLU  17   9.159  -2.022   5.120
  103    HG3  GLU  17           HG3      GLU  17   7.929  -2.122   6.363
  104    H    LEU  18           H        LEU  18   5.883   0.308   2.308
  105    HA   LEU  18           HA       LEU  18   6.219   3.165   1.872
  106    HG   LEU  18           HG       LEU  18   5.758   1.014  -0.248
  107    HB2  LEU  18           HB2      LEU  18   3.930   1.265   1.408
  108    HB3  LEU  18           HB3      LEU  18   3.862   2.968   1.043
  109   HD11  LEU  18          HD11      LEU  18   3.394   0.553  -0.840
  110   HD12  LEU  18          HD12      LEU  18   4.329   1.153  -2.210
  111   HD13  LEU  18          HD13      LEU  18   3.221   2.230  -1.359
  112   HD21  LEU  18          HD21      LEU  18   5.096   3.904  -0.619
  113   HD22  LEU  18          HD22      LEU  18   5.860   2.945  -1.887
  114   HD23  LEU  18          HD23      LEU  18   6.666   3.159  -0.333
  115    H    THR  19           H        THR  19   4.948   4.701   2.753
  116    HA   THR  19           HA       THR  19   3.441   4.137   5.225
  117    HB   THR  19           HB       THR  19   5.098   6.605   4.553
  118    HG1  THR  19           HG1      THR  19   6.435   4.994   5.242
  119   HG21  THR  19          HG21      THR  19   3.284   5.936   6.871
  120   HG22  THR  19          HG22      THR  19   3.316   7.404   5.896
  121   HG23  THR  19          HG23      THR  19   4.612   7.082   7.048
  122    H    PHE  20           H        PHE  20   1.332   4.799   5.026
  123    HA   PHE  20           HA       PHE  20   0.657   6.979   3.279
  124    HD1  PHE  20           HD1      PHE  20  -2.281   4.059   3.537
  125    HD2  PHE  20           HD2      PHE  20   1.407   3.114   1.636
  126    HE1  PHE  20           HE1      PHE  20  -2.768   1.667   3.773
  127    HE2  PHE  20           HE2      PHE  20   0.924   0.720   1.899
  128    HZ   PHE  20           HZ       PHE  20  -1.159  -0.001   2.971
  129    HB2  PHE  20           HB2      PHE  20  -0.985   5.689   1.960
  130    HB3  PHE  20           HB3      PHE  20   0.686   5.305   1.608
  131    H    VAL  21           H        VAL  21  -1.775   7.336   3.302
  132    HA   VAL  21           HA       VAL  21  -2.843   6.547   5.928
  133    HB   VAL  21           HB       VAL  21  -4.062   8.709   6.003
  134   HG11  VAL  21          HG11      VAL  21  -1.056   8.934   5.879
  135   HG12  VAL  21          HG12      VAL  21  -2.000   8.365   7.256
  136   HG13  VAL  21          HG13      VAL  21  -2.142  10.039   6.720
  137   HG21  VAL  21          HG21      VAL  21  -2.220   9.579   3.787
  138   HG22  VAL  21          HG22      VAL  21  -3.492  10.520   4.563
  139   HG23  VAL  21          HG23      VAL  21  -3.909   9.143   3.545
  140    H    GLU  22           H        GLU  22  -5.179   6.561   6.047
  141    HA   GLU  22           HA       GLU  22  -6.506   4.981   4.243
  142    HB2  GLU  22           HB2      GLU  22  -7.250   5.707   6.575
  143    HB3  GLU  22           HB3      GLU  22  -7.783   7.215   5.848
  144    HG2  GLU  22           HG2      GLU  22  -9.255   5.885   4.321
  145    HG3  GLU  22           HG3      GLU  22  -8.787   4.438   5.190
  146    H    ASN  23           H        ASN  23  -7.527   5.317   2.392
  147    HA   ASN  23           HA       ASN  23  -8.431   6.204   0.596
  148    HB2  ASN  23           HB2      ASN  23  -8.280   8.798   2.025
  149    HB3  ASN  23           HB3      ASN  23  -8.924   8.615   0.399
  150   HD21  ASN  23          HD21      ASN  23 -10.105   9.239   3.141
  151   HD22  ASN  23          HD22      ASN  23 -11.433   8.189   3.270
  152    H    ASP  24           H        ASP  24  -5.273   6.803   1.395
  153    HA   ASP  24           HA       ASP  24  -4.521   8.182  -1.028
  154    HB2  ASP  24           HB2      ASP  24  -3.026   6.348   0.844
  155    HB3  ASP  24           HB3      ASP  24  -2.305   6.985  -0.619
  156    H    LYS  25           H        LYS  25  -3.840   7.226  -2.956
  157    HA   LYS  25           HA       LYS  25  -4.780   4.499  -3.443
  158    HB2  LYS  25           HB2      LYS  25  -4.062   6.753  -5.296
  159    HB3  LYS  25           HB3      LYS  25  -4.412   5.122  -5.844
  160    HG2  LYS  25           HG2      LYS  25  -6.647   5.271  -4.833
  161    HG3  LYS  25           HG3      LYS  25  -6.291   6.918  -4.309
  162    HD2  LYS  25           HD2      LYS  25  -5.971   7.617  -6.634
  163    HD3  LYS  25           HD3      LYS  25  -6.243   5.972  -7.189
  164    HE2  LYS  25           HE2      LYS  25  -8.545   6.060  -6.356
  165    HE3  LYS  25           HE3      LYS  25  -8.276   7.689  -5.750
  166    HZ1  LYS  25           HZ1      LYS  25  -7.820   8.395  -8.059
  167    HZ2  LYS  25           HZ2      LYS  25  -9.395   7.790  -7.869
  168    HZ3  LYS  25           HZ3      LYS  25  -8.199   6.833  -8.604
  169    H    ILE  26           H        ILE  26  -3.485   2.904  -4.092
  170    HA   ILE  26           HA       ILE  26  -0.567   3.380  -4.293
  171    HB   ILE  26           HB       ILE  26  -2.049   0.924  -3.265
  172   HG12  ILE  26          HG12      ILE  26  -0.426   1.471  -1.298
  173   HG13  ILE  26          HG13      ILE  26  -0.440   3.080  -1.970
  174   HG21  ILE  26          HG21      ILE  26   0.860   1.493  -3.862
  175   HG22  ILE  26          HG22      ILE  26  -0.142   0.182  -4.485
  176   HG23  ILE  26          HG23      ILE  26   0.356   0.183  -2.793
  177   HD11  ILE  26          HD11      ILE  26  -1.984   2.802  -0.066
  178   HD12  ILE  26          HD12      ILE  26  -2.883   1.595  -0.987
  179   HD13  ILE  26          HD13      ILE  26  -2.826   3.267  -1.543
  180    H    ILE  27           H        ILE  27   0.121   2.933  -6.297
  181    HA   ILE  27           HA       ILE  27  -1.698   1.528  -8.115
  182    HB   ILE  27           HB       ILE  27  -0.985   2.957  -9.881
  183   HG12  ILE  27          HG12      ILE  27   0.957   4.270  -7.987
  184   HG13  ILE  27          HG13      ILE  27   1.408   3.069  -9.190
  185   HG21  ILE  27          HG21      ILE  27  -1.352   4.739  -7.477
  186   HG22  ILE  27          HG22      ILE  27  -2.657   3.829  -8.240
  187   HG23  ILE  27          HG23      ILE  27  -1.802   5.076  -9.150
  188   HD11  ILE  27          HD11      ILE  27   1.749   5.481  -9.895
  189   HD12  ILE  27          HD12      ILE  27  -0.006   5.653  -9.892
  190   HD13  ILE  27          HD13      ILE  27   0.767   4.517 -10.997
  191    H    ASN  28           H        ASN  28  -0.658   0.611 -10.067
  192    HA   ASN  28           HA       ASN  28   0.602  -1.073 -10.937
  193    HB2  ASN  28           HB2      ASN  28   2.833   0.585  -9.790
  194    HB3  ASN  28           HB3      ASN  28   3.017  -0.691 -10.984
  195   HD21  ASN  28          HD21      ASN  28   3.300   2.437 -10.908
  196   HD22  ASN  28          HD22      ASN  28   2.545   2.932 -12.344
  197    H    ILE  29           H        ILE  29  -0.525  -1.967  -8.749
  198    HA   ILE  29           HA       ILE  29   1.301  -2.912  -6.793
  199    HB   ILE  29           HB       ILE  29  -1.484  -3.778  -7.522
  200   HG12  ILE  29          HG12      ILE  29  -0.418  -2.130  -5.242
  201   HG13  ILE  29          HG13      ILE  29  -1.049  -1.456  -6.725
  202   HG21  ILE  29          HG21      ILE  29  -1.514  -4.822  -5.240
  203   HG22  ILE  29          HG22      ILE  29   0.235  -4.607  -5.176
  204   HG23  ILE  29          HG23      ILE  29  -0.479  -5.656  -6.399
  205   HD11  ILE  29          HD11      ILE  29  -2.588  -3.126  -4.762
  206   HD12  ILE  29          HD12      ILE  29  -3.229  -2.398  -6.236
  207   HD13  ILE  29          HD13      ILE  29  -2.664  -1.372  -4.916
  208    H    GLU  30           H        GLU  30   2.540  -4.567  -6.734
  209    HA   GLU  30           HA       GLU  30   2.435  -6.595  -8.858
  210    HB2  GLU  30           HB2      GLU  30   4.815  -5.417  -7.389
  211    HB3  GLU  30           HB3      GLU  30   4.911  -6.832  -8.441
  212    HG2  GLU  30           HG2      GLU  30   4.027  -5.530 -10.306
  213    HG3  GLU  30           HG3      GLU  30   3.837  -4.136  -9.277
  214    H    PHE  31           H        PHE  31   2.010  -8.564  -8.201
  215    HA   PHE  31           HA       PHE  31   1.427  -9.084  -5.465
  216    HD1  PHE  31           HD2      PHE  31  -0.936 -10.106  -5.144
  217    HD2  PHE  31           HD1      PHE  31   1.589 -13.131  -6.693
  218    HE1  PHE  31           HE2      PHE  31  -1.888 -11.730  -3.527
  219    HE2  PHE  31           HE1      PHE  31   0.656 -14.726  -5.092
  220    HZ   PHE  31           HZ       PHE  31  -1.082 -14.045  -3.527
  221    HB2  PHE  31           HB2      PHE  31   0.155  -9.947  -7.450
  222    HB3  PHE  31           HB3      PHE  31   1.501 -11.029  -7.773
  223    H    VAL  32           H        VAL  32   3.747  -8.526  -4.885
  224    HA   VAL  32           HA       VAL  32   5.793 -10.374  -5.398
  225    HB   VAL  32           HB       VAL  32   5.510  -8.403  -3.140
  226   HG11  VAL  32          HG11      VAL  32   6.994  -9.978  -2.271
  227   HG12  VAL  32          HG12      VAL  32   8.038  -8.740  -2.968
  228   HG13  VAL  32          HG13      VAL  32   7.767 -10.252  -3.832
  229   HG21  VAL  32          HG21      VAL  32   7.239  -7.165  -4.439
  230   HG22  VAL  32          HG22      VAL  32   5.690  -7.319  -5.268
  231   HG23  VAL  32          HG23      VAL  32   7.046  -8.347  -5.733
  232    H    ASP  33           H        ASP  33   3.617 -10.198  -2.608
  233    HA   ASP  33           HA       ASP  33   4.241 -13.007  -2.008
  234    HB2  ASP  33           HB2      ASP  33   5.626 -11.633  -0.514
  235    HB3  ASP  33           HB3      ASP  33   4.215 -10.706  -0.031
  236    H    ASP  34           H        ASP  34   2.435 -13.950  -0.658
  237    HA   ASP  34           HA       ASP  34  -0.108 -13.304  -1.717
  238    HB2  ASP  34           HB2      ASP  34   0.711 -14.983   0.656
  239    HB3  ASP  34           HB3      ASP  34  -0.960 -14.788   0.164
  240    H    ASP  35           H        ASP  35   1.485 -12.494   1.316
  241    HA   ASP  35           HA       ASP  35  -0.884 -11.136   2.315
  242    HB2  ASP  35           HB2      ASP  35   1.747 -11.884   3.566
  243    HB3  ASP  35           HB3      ASP  35   0.526 -10.932   4.400
  244    H    TRP  36           H        TRP  36   2.338 -10.313   1.271
  245    HA   TRP  36           HA       TRP  36   1.744  -7.457   1.746
  246    HD1  TRP  36           HD1      TRP  36   2.859 -10.230   3.844
  247    HE1  TRP  36           HE1      TRP  36   2.964  -9.575   6.338
  248    HE3  TRP  36           HE3      TRP  36   4.719  -5.509   3.389
  249    HZ2  TRP  36           HZ2      TRP  36   3.723  -7.358   7.903
  250    HZ3  TRP  36           HZ3      TRP  36   5.151  -4.210   5.428
  251    HH2  TRP  36           HH2      TRP  36   4.661  -5.115   7.638
  252    HB2  TRP  36           HB2      TRP  36   4.383  -8.932   1.699
  253    HB3  TRP  36           HB3      TRP  36   4.220  -7.189   1.799
  254    H    TRP  37           H        TRP  37   1.779  -6.197  -0.019
  255    HA   TRP  37           HA       TRP  37   2.746  -7.336  -2.548
  256    HD1  TRP  37           HD1      TRP  37   1.076  -8.955  -1.860
  257    HE1  TRP  37           HE1      TRP  37  -1.217 -10.128  -1.746
  258    HE3  TRP  37           HE3      TRP  37  -1.931  -5.056  -3.198
  259    HZ2  TRP  37           HZ2      TRP  37  -3.888  -9.512  -2.144
  260    HZ3  TRP  37           HZ3      TRP  37  -4.372  -5.453  -3.318
  261    HH2  TRP  37           HH2      TRP  37  -5.316  -7.649  -2.806
  262    HB2  TRP  37           HB2      TRP  37   0.608  -5.241  -2.250
  263    HB3  TRP  37           HB3      TRP  37   1.115  -6.044  -3.722
  264    H    LEU  38           H        LEU  38   3.619  -5.803  -4.008
  265    HA   LEU  38           HA       LEU  38   5.013  -3.577  -2.665
  266    HG   LEU  38           HG       LEU  38   7.785  -4.301  -5.308
  267    HB2  LEU  38           HB2      LEU  38   6.245  -5.491  -3.736
  268    HB3  LEU  38           HB3      LEU  38   5.615  -4.945  -5.250
  269   HD11  LEU  38          HD11      LEU  38   6.399  -1.887  -4.164
  270   HD12  LEU  38          HD12      LEU  38   6.377  -2.410  -5.848
  271   HD13  LEU  38          HD13      LEU  38   7.885  -1.872  -5.113
  272   HD21  LEU  38          HD21      LEU  38   7.612  -3.413  -2.445
  273   HD22  LEU  38          HD22      LEU  38   9.011  -3.177  -3.496
  274   HD23  LEU  38          HD23      LEU  38   8.483  -4.808  -3.080
  275    H    GLY  39           H        GLY  39   4.429  -1.532  -3.365
  276    HA2  GLY  39           HA2      GLY  39   3.360  -1.263  -6.064
  277    HA3  GLY  39           HA3      GLY  39   2.324  -0.736  -4.747
  278    H    GLU  40           H        GLU  40   2.464   1.271  -5.877
  279    HA   GLU  40           HA       GLU  40   4.662   2.954  -4.900
  280    HB2  GLU  40           HB2      GLU  40   5.086   2.384  -7.250
  281    HB3  GLU  40           HB3      GLU  40   3.485   2.949  -7.679
  282    HG2  GLU  40           HG2      GLU  40   4.116   5.212  -6.943
  283    HG3  GLU  40           HG3      GLU  40   5.724   4.627  -6.566
  284    H    LEU  41           H        LEU  41   3.957   4.941  -4.166
  285    HA   LEU  41           HA       LEU  41   1.118   5.232  -3.812
  286    HG   LEU  41           HG       LEU  41   3.585   5.343  -1.725
  287    HB2  LEU  41           HB2      LEU  41   3.318   7.161  -3.178
  288    HB3  LEU  41           HB3      LEU  41   1.640   7.374  -2.748
  289   HD11  LEU  41          HD11      LEU  41   3.354   6.406   0.374
  290   HD12  LEU  41          HD12      LEU  41   1.972   7.355  -0.173
  291   HD13  LEU  41          HD13      LEU  41   3.581   7.692  -0.812
  292   HD21  LEU  41          HD21      LEU  41   1.528   4.182  -1.990
  293   HD22  LEU  41          HD22      LEU  41   0.642   5.491  -1.206
  294   HD23  LEU  41          HD23      LEU  41   1.789   4.522  -0.281
  295    H    GLU  42           H        GLU  42  -0.316   6.401  -4.917
  296    HA   GLU  42           HA       GLU  42   0.267   7.592  -7.414
  297    HB2  GLU  42           HB2      GLU  42  -1.996   6.913  -6.789
  298    HB3  GLU  42           HB3      GLU  42  -2.000   8.051  -5.453
  299    HG2  GLU  42           HG2      GLU  42  -1.584   9.820  -7.296
  300    HG3  GLU  42           HG3      GLU  42  -2.147   8.577  -8.391
  301    H    LYS  43           H        LYS  43   0.102   8.913  -4.090
  302    HA   LYS  43           HA       LYS  43   0.061  11.547  -5.080
  303    HB2  LYS  43           HB2      LYS  43   0.091  12.316  -2.853
  304    HB3  LYS  43           HB3      LYS  43  -0.905  10.878  -2.937
  305    HG2  LYS  43           HG2      LYS  43   1.094   9.596  -2.114
  306    HG3  LYS  43           HG3      LYS  43   1.858  11.153  -1.809
  307    HD2  LYS  43           HD2      LYS  43  -0.090  11.783  -0.379
  308    HD3  LYS  43           HD3      LYS  43  -0.756  10.177  -0.621
  309    HE2  LYS  43           HE2      LYS  43   1.193   9.202   0.462
  310    HE3  LYS  43           HE3      LYS  43   1.878  10.812   0.684
  311    HZ1  LYS  43           HZ1      LYS  43   0.801  10.280   2.678
  312    HZ2  LYS  43           HZ2      LYS  43  -0.584   9.700   1.882
  313    HZ3  LYS  43           HZ3      LYS  43  -0.236  11.363   1.886
  314    H    ASP  44           H        ASP  44   2.844   9.587  -4.441
  315    HA   ASP  44           HA       ASP  44   4.458  11.938  -5.024
  316    HB2  ASP  44           HB2      ASP  44   5.935  11.649  -3.153
  317    HB3  ASP  44           HB3      ASP  44   4.291  11.929  -2.623
  318    H    GLY  45           H        GLY  45   4.019   8.757  -5.831
  319    HA2  GLY  45           HA2      GLY  45   5.314   7.531  -7.298
  320    HA3  GLY  45           HA3      GLY  45   6.522   8.797  -7.229
  321    H    SER  46           H        SER  46   5.971   7.841  -4.053
  322    HA   SER  46           HA       SER  46   8.484   6.445  -3.952
  323    HG   SER  46           HG       SER  46   5.630   7.491  -1.896
  324    HB2  SER  46           HB2      SER  46   8.009   6.087  -1.584
  325    HB3  SER  46           HB3      SER  46   7.781   7.761  -2.039
  326    H    LYS  47           H        LYS  47   8.822   4.233  -3.427
  327    HA   LYS  47           HA       LYS  47   6.546   2.457  -4.057
  328    HB2  LYS  47           HB2      LYS  47   9.398   2.203  -5.026
  329    HB3  LYS  47           HB3      LYS  47   8.131   1.017  -5.283
  330    HG2  LYS  47           HG2      LYS  47   6.850   2.819  -6.470
  331    HG3  LYS  47           HG3      LYS  47   8.300   3.803  -6.381
  332    HD2  LYS  47           HD2      LYS  47   9.513   1.993  -7.596
  333    HD3  LYS  47           HD3      LYS  47   7.967   1.173  -7.805
  334    HE2  LYS  47           HE2      LYS  47   7.159   3.424  -8.778
  335    HE3  LYS  47           HE3      LYS  47   8.862   3.813  -8.918
  336    HZ1  LYS  47           HZ1      LYS  47   9.022   2.593 -10.747
  337    HZ2  LYS  47           HZ2      LYS  47   7.327   2.472 -10.742
  338    HZ3  LYS  47           HZ3      LYS  47   8.270   1.252 -10.029
  339    H    GLY  48           H        GLY  48   6.622   0.410  -3.066
  340    HA2  GLY  48           HA2      GLY  48   8.650  -0.726  -1.647
  341    HA3  GLY  48           HA3      GLY  48   7.940   0.420  -0.520
  342    H    LEU  49           H        LEU  49   7.910  -1.988   0.300
  343    HA   LEU  49           HA       LEU  49   5.705  -3.613  -0.446
  344    HG   LEU  49           HG       LEU  49   8.531  -4.328  -0.135
  345    HB2  LEU  49           HB2      LEU  49   7.468  -3.510   1.987
  346    HB3  LEU  49           HB3      LEU  49   6.221  -4.711   1.755
  347   HD11  LEU  49          HD11      LEU  49   9.486  -4.886   1.952
  348   HD12  LEU  49          HD12      LEU  49   9.404  -6.384   1.027
  349   HD13  LEU  49          HD13      LEU  49   8.221  -6.064   2.295
  350   HD21  LEU  49          HD21      LEU  49   6.403  -6.430   0.255
  351   HD22  LEU  49          HD22      LEU  49   7.891  -6.756  -0.637
  352   HD23  LEU  49          HD23      LEU  49   6.777  -5.512  -1.202
  353    H    PHE  50           H        PHE  50   3.781  -3.958   0.637
  354    HA   PHE  50           HA       PHE  50   3.113  -2.331   2.931
  355    HD1  PHE  50           HD1      PHE  50  -0.568  -2.716   0.982
  356    HD2  PHE  50           HD2      PHE  50   2.876  -1.580  -1.221
  357    HE1  PHE  50           HE1      PHE  50  -1.666  -3.377  -1.110
  358    HE2  PHE  50           HE2      PHE  50   1.778  -2.256  -3.282
  359    HZ   PHE  50           HZ       PHE  50  -0.486  -3.163  -3.249
  360    HB2  PHE  50           HB2      PHE  50   1.175  -1.276   1.968
  361    HB3  PHE  50           HB3      PHE  50   2.592  -0.824   1.042
  362    HA   PRO  51           HA       PRO  51   1.109  -6.162   3.664
  363    HB2  PRO  51           HB2      PRO  51  -0.596  -4.663   5.592
  364    HB3  PRO  51           HB3      PRO  51   0.474  -6.045   5.882
  365    HG2  PRO  51           HG2      PRO  51   1.101  -3.629   6.740
  366    HG3  PRO  51           HG3      PRO  51   2.337  -4.726   6.098
  367    HD2  PRO  51           HD2      PRO  51   1.005  -2.406   4.765
  368    HD3  PRO  51           HD3      PRO  51   2.717  -2.914   4.721
  369    H    SER  52           H        SER  52  -0.458  -7.032   2.453
  370    HA   SER  52           HA       SER  52  -2.183  -5.456   0.930
  371    HG   SER  52           HG       SER  52  -2.014  -8.477   2.487
  372    HB2  SER  52           HB2      SER  52  -3.065  -7.525   0.087
  373    HB3  SER  52           HB3      SER  52  -1.322  -7.665   0.287
  374    H    ASN  53           H        ASN  53  -2.720  -6.644   4.141
  375    HA   ASN  53           HA       ASN  53  -5.566  -6.672   3.858
  376    HB2  ASN  53           HB2      ASN  53  -5.663  -7.074   6.256
  377    HB3  ASN  53           HB3      ASN  53  -4.471  -8.119   5.504
  378   HD21  ASN  53          HD21      ASN  53  -3.803  -8.174   8.001
  379   HD22  ASN  53          HD22      ASN  53  -2.746  -6.976   8.570
  380    H    TYR  54           H        TYR  54  -3.547  -4.016   3.885
  381    HA   TYR  54           HA       TYR  54  -5.506  -2.413   5.368
  382    HD1  TYR  54           HD1      TYR  54  -4.992  -1.749   7.484
  383    HD2  TYR  54           HD2      TYR  54  -1.133  -2.515   5.899
  384    HE1  TYR  54           HE1      TYR  54  -4.239  -2.504   9.694
  385    HE2  TYR  54           HE2      TYR  54  -0.380  -3.258   8.104
  386    HH   TYR  54           HH       TYR  54  -1.613  -2.554  10.790
  387    HB2  TYR  54           HB2      TYR  54  -2.724  -1.666   4.500
  388    HB3  TYR  54           HB3      TYR  54  -3.855  -0.562   5.259
  389    H    VAL  55           H        VAL  55  -5.305  -3.373   2.287
  390    HA   VAL  55           HA       VAL  55  -6.468  -0.850   1.318
  391    HB   VAL  55           HB       VAL  55  -5.311  -1.052  -0.841
  392   HG11  VAL  55          HG11      VAL  55  -3.738  -0.721   1.660
  393   HG12  VAL  55          HG12      VAL  55  -4.118   0.448   0.396
  394   HG13  VAL  55          HG13      VAL  55  -2.869  -0.768   0.127
  395   HG21  VAL  55          HG21      VAL  55  -3.608  -2.621  -1.275
  396   HG22  VAL  55          HG22      VAL  55  -4.984  -3.531  -0.647
  397   HG23  VAL  55          HG23      VAL  55  -3.605  -3.182   0.398
  398    H    SER  56           H        SER  56  -7.638  -1.082  -0.682
  399    HA   SER  56           HA       SER  56  -8.742  -3.746  -1.223
  400    HG   SER  56           HG       SER  56 -11.503  -2.140  -2.196
  401    HB2  SER  56           HB2      SER  56 -10.335  -2.631   0.238
  402    HB3  SER  56           HB3      SER  56 -10.288  -1.188  -0.767
  403    H    LEU  57           H        LEU  57  -8.739  -4.121  -3.420
  404    HA   LEU  57           HA       LEU  57  -7.511  -2.309  -5.168
  405    HG   LEU  57           HG       LEU  57  -7.604  -5.579  -4.723
  406    HB2  LEU  57           HB2      LEU  57  -9.326  -4.565  -5.960
  407    HB3  LEU  57           HB3      LEU  57  -8.202  -3.728  -7.007
  408   HD11  LEU  57          HD11      LEU  57  -6.847  -5.606  -7.649
  409   HD12  LEU  57          HD12      LEU  57  -8.148  -6.546  -6.918
  410   HD13  LEU  57          HD13      LEU  57  -6.471  -6.856  -6.465
  411   HD21  LEU  57          HD21      LEU  57  -5.190  -5.207  -5.453
  412   HD22  LEU  57          HD22      LEU  57  -5.931  -3.985  -4.420
  413   HD23  LEU  57          HD23      LEU  57  -5.769  -3.697  -6.152
  414    H    GLY  58           H        GLY  58  -8.181  -0.893  -6.675
  415    HA2  GLY  58           HA2      GLY  58  -9.560   0.529  -7.838
  416    HA3  GLY  58           HA3      GLY  58 -10.900  -0.531  -7.439
  417    H    ASN  59           H        ASN  59 -12.034   1.515  -7.345
  418    HA   ASN  59           HA       ASN  59 -11.474   3.334  -5.188
  419    HB2  ASN  59           HB2      ASN  59 -12.934   3.446  -7.637
  420    HB3  ASN  59           HB3      ASN  59 -14.033   3.862  -6.333
  421   HD21  ASN  59          HD21      ASN  59 -12.874   5.512  -8.487
  422   HD22  ASN  59          HD22      ASN  59 -12.087   6.809  -7.725
  Start of MODEL    7
    1    H    ALA   1           H        ALA   1  -1.162  -4.014 -14.290
    2    HA   ALA   1           HA       ALA   1  -1.093  -5.189 -11.581
    3    HB1  ALA   1           HB1      ALA   1   1.147  -4.418 -12.234
    4    HB2  ALA   1           HB2      ALA   1   0.449  -3.393 -10.981
    5    HB3  ALA   1           HB3      ALA   1   0.476  -2.842 -12.656
    6    HA   PRO   2           HA       PRO   2  -4.679  -2.394 -11.450
    7    HB2  PRO   2           HB2      PRO   2  -5.710  -3.416  -9.195
    8    HB3  PRO   2           HB3      PRO   2  -5.687  -4.406 -10.671
    9    HG2  PRO   2           HG2      PRO   2  -3.842  -4.452  -8.336
   10    HG3  PRO   2           HG3      PRO   2  -4.597  -5.802  -9.207
   11    HD2  PRO   2           HD2      PRO   2  -2.042  -4.920  -9.681
   12    HD3  PRO   2           HD3      PRO   2  -3.040  -5.772 -10.875
   13    H    TRP   3           H        TRP   3  -5.462  -0.946  -9.695
   14    HA   TRP   3           HA       TRP   3  -3.394  -0.132  -7.778
   15    HD1  TRP   3           HD1      TRP   3  -5.380   1.456 -11.435
   16    HE1  TRP   3           HE1      TRP   3  -7.733   2.440 -11.765
   17    HE3  TRP   3           HE3      TRP   3  -6.482   2.662  -6.604
   18    HZ2  TRP   3           HZ2      TRP   3  -9.790   3.528 -10.226
   19    HZ3  TRP   3           HZ3      TRP   3  -8.666   3.683  -6.131
   20    HH2  TRP   3           HH2      TRP   3 -10.282   4.105  -7.910
   21    HB2  TRP   3           HB2      TRP   3  -4.283   2.133  -7.839
   22    HB3  TRP   3           HB3      TRP   3  -3.641   1.635  -9.385
   23    H    ALA   4           H        ALA   4  -4.342   0.894  -5.843
   24    HA   ALA   4           HA       ALA   4  -6.957  -0.165  -5.071
   25    HB1  ALA   4           HB1      ALA   4  -5.116  -1.816  -4.530
   26    HB2  ALA   4           HB2      ALA   4  -6.069  -1.276  -3.147
   27    HB3  ALA   4           HB3      ALA   4  -4.462  -0.605  -3.426
   28    H    THR   5           H        THR   5  -7.617   0.613  -2.959
   29    HA   THR   5           HA       THR   5  -6.613   3.325  -2.341
   30    HB   THR   5           HB       THR   5  -9.466   2.288  -2.088
   31    HG1  THR   5           HG1      THR   5  -8.610   2.786  -4.253
   32   HG21  THR   5          HG21      THR   5  -9.983   4.659  -1.635
   33   HG22  THR   5          HG22      THR   5  -8.258   5.025  -1.660
   34   HG23  THR   5          HG23      THR   5  -8.919   3.978  -0.405
   35    H    ALA   6           H        ALA   6  -5.877   3.533  -0.303
   36    HA   ALA   6           HA       ALA   6  -5.793   1.302   1.467
   37    HB1  ALA   6           HB1      ALA   6  -5.154   4.227   1.839
   38    HB2  ALA   6           HB2      ALA   6  -4.017   2.914   1.528
   39    HB3  ALA   6           HB3      ALA   6  -4.869   2.999   3.071
   40    H    GLU   7           H        GLU   7  -7.035   0.772   3.138
   41    HA   GLU   7           HA       GLU   7  -9.482   2.368   3.579
   42    HB2  GLU   7           HB2      GLU   7  -8.796  -0.475   4.285
   43    HB3  GLU   7           HB3      GLU   7 -10.316   0.313   4.658
   44    HG2  GLU   7           HG2      GLU   7  -9.220  -0.234   1.904
   45    HG3  GLU   7           HG3      GLU   7 -10.516  -1.114   2.700
   46    H    TYR   8           H        TYR   8  -6.532   1.361   5.075
   47    HA   TYR   8           HA       TYR   8  -7.309   2.677   7.599
   48    HD1  TYR   8           HD1      TYR   8  -8.513   1.139   9.563
   49    HD2  TYR   8           HD2      TYR   8  -7.338  -1.478   6.425
   50    HE1  TYR   8           HE1      TYR   8 -10.664  -0.019   9.763
   51    HE2  TYR   8           HE2      TYR   8  -9.528  -2.651   6.610
   52    HH   TYR   8           HH       TYR   8 -11.254  -2.970   8.553
   53    HB2  TYR   8           HB2      TYR   8  -5.750   0.079   7.411
   54    HB3  TYR   8           HB3      TYR   8  -6.146   0.946   8.884
   55    H    ASP   9           H        ASP   9  -5.506   3.669   8.620
   56    HA   ASP   9           HA       ASP   9  -3.428   4.616   6.887
   57    HB2  ASP   9           HB2      ASP   9  -4.227   5.913   8.880
   58    HB3  ASP   9           HB3      ASP   9  -3.574   4.666   9.919
   59    H    TYR  10           H        TYR  10  -1.380   3.752   6.642
   60    HA   TYR  10           HA       TYR  10  -0.527   1.626   8.484
   61    HD1  TYR  10           HD1      TYR  10   0.066  -0.988   8.179
   62    HD2  TYR  10           HD2      TYR  10   2.181   1.203   5.223
   63    HE1  TYR  10           HE1      TYR  10   2.082  -2.248   8.710
   64    HE2  TYR  10           HE2      TYR  10   4.210  -0.079   5.743
   65    HH   TYR  10           HH       TYR  10   4.978  -1.978   6.838
   66    HB2  TYR  10           HB2      TYR  10  -1.140   0.399   6.469
   67    HB3  TYR  10           HB3      TYR  10  -0.207   1.512   5.470
   68    H    ASP  11           H        ASP  11   1.305   2.094   9.356
   69    HA   ASP  11           HA       ASP  11   2.944   4.251   8.196
   70    HB2  ASP  11           HB2      ASP  11   2.766   3.115  10.984
   71    HB3  ASP  11           HB3      ASP  11   3.979   4.280  10.485
   72    H    ALA  12           H        ALA  12   4.784   3.610   7.169
   73    HA   ALA  12           HA       ALA  12   5.695   0.922   7.242
   74    HB1  ALA  12           HB1      ALA  12   7.678   1.764   6.102
   75    HB2  ALA  12           HB2      ALA  12   7.199   3.419   6.477
   76    HB3  ALA  12           HB3      ALA  12   6.212   2.440   5.392
   77    H    ALA  13           H        ALA  13   7.155  -0.070   8.447
   78    HA   ALA  13           HA       ALA  13   8.416   1.409  10.660
   79    HB1  ALA  13           HB1      ALA  13   7.071  -0.264  11.645
   80    HB2  ALA  13           HB2      ALA  13   8.698  -0.946  11.644
   81    HB3  ALA  13           HB3      ALA  13   7.524  -1.461  10.431
   82    H    GLU  14           H        GLU  14   9.043   0.182   7.651
   83    HA   GLU  14           HA       GLU  14  11.896  -0.196   8.292
   84    HB2  GLU  14           HB2      GLU  14  10.229  -1.894   6.423
   85    HB3  GLU  14           HB3      GLU  14  11.977  -1.881   6.418
   86    HG2  GLU  14           HG2      GLU  14  12.006  -2.767   8.662
   87    HG3  GLU  14           HG3      GLU  14  10.257  -2.688   8.740
   88    H    ASP  15           H        ASP  15  13.286   0.237   6.405
   89    HA   ASP  15           HA       ASP  15  12.560   2.592   5.071
   90    HB2  ASP  15           HB2      ASP  15  14.823   0.681   4.821
   91    HB3  ASP  15           HB3      ASP  15  14.595   1.906   3.583
   92    H    ASN  16           H        ASN  16  12.411  -0.765   3.986
   93    HA   ASN  16           HA       ASN  16  11.727   0.062   1.302
   94    HB2  ASN  16           HB2      ASN  16  11.613  -2.331   0.779
   95    HB3  ASN  16           HB3      ASN  16  13.132  -1.873   1.528
   96   HD21  ASN  16          HD21      ASN  16  12.962  -4.377   1.689
   97   HD22  ASN  16          HD22      ASN  16  12.364  -4.962   3.167
   98    H    GLU  17           H        GLU  17   9.861   0.184   3.916
   99    HA   GLU  17           HA       GLU  17   7.462  -0.943   2.654
  100    HB2  GLU  17           HB2      GLU  17   8.027   0.026   5.452
  101    HB3  GLU  17           HB3      GLU  17   6.438  -0.487   4.899
  102    HG2  GLU  17           HG2      GLU  17   7.282  -2.689   4.403
  103    HG3  GLU  17           HG3      GLU  17   8.915  -2.192   4.799
  104    H    LEU  18           H        LEU  18   5.700   0.230   2.136
  105    HA   LEU  18           HA       LEU  18   5.995   3.080   1.662
  106    HG   LEU  18           HG       LEU  18   5.437   0.878  -0.384
  107    HB2  LEU  18           HB2      LEU  18   3.682   1.179   1.349
  108    HB3  LEU  18           HB3      LEU  18   3.608   2.872   0.943
  109   HD11  LEU  18          HD11      LEU  18   3.889   0.517  -2.027
  110   HD12  LEU  18          HD12      LEU  18   3.133   2.096  -1.811
  111   HD13  LEU  18          HD13      LEU  18   2.780   0.786  -0.682
  112   HD21  LEU  18          HD21      LEU  18   4.713   3.743  -0.862
  113   HD22  LEU  18          HD22      LEU  18   5.504   2.733  -2.072
  114   HD23  LEU  18          HD23      LEU  18   6.303   3.058  -0.533
  115    H    THR  19           H        THR  19   4.917   4.639   2.661
  116    HA   THR  19           HA       THR  19   3.459   4.115   5.173
  117    HB   THR  19           HB       THR  19   5.142   6.538   4.411
  118    HG1  THR  19           HG1      THR  19   5.948   4.308   5.311
  119   HG21  THR  19          HG21      THR  19   3.911   5.975   7.112
  120   HG22  THR  19          HG22      THR  19   3.069   6.933   5.895
  121   HG23  THR  19          HG23      THR  19   4.622   7.479   6.528
  122    H    PHE  20           H        PHE  20   1.332   4.799   5.026
  123    HA   PHE  20           HA       PHE  20   0.656   6.979   3.280
  124    HD1  PHE  20           HD1      PHE  20  -2.282   4.058   3.536
  125    HD2  PHE  20           HD2      PHE  20   1.407   3.114   1.637
  126    HE1  PHE  20           HE1      PHE  20  -2.768   1.667   3.772
  127    HE2  PHE  20           HE2      PHE  20   0.924   0.720   1.899
  128    HZ   PHE  20           HZ       PHE  20  -1.159  -0.001   2.971
  129    HB2  PHE  20           HB2      PHE  20  -0.985   5.688   1.960
  130    HB3  PHE  20           HB3      PHE  20   0.686   5.305   1.609
  131    H    VAL  21           H        VAL  21  -1.775   7.336   3.301
  132    HA   VAL  21           HA       VAL  21  -2.843   6.547   5.928
  133    HB   VAL  21           HB       VAL  21  -4.062   8.709   6.003
  134   HG11  VAL  21          HG11      VAL  21  -1.055   8.933   5.879
  135   HG12  VAL  21          HG12      VAL  21  -2.000   8.365   7.256
  136   HG13  VAL  21          HG13      VAL  21  -2.142  10.039   6.720
  137   HG21  VAL  21          HG21      VAL  21  -2.219   9.579   3.788
  138   HG22  VAL  21          HG22      VAL  21  -3.493  10.520   4.563
  139   HG23  VAL  21          HG23      VAL  21  -3.910   9.143   3.545
  140    H    GLU  22           H        GLU  22  -5.178   6.562   6.047
  141    HA   GLU  22           HA       GLU  22  -6.506   4.981   4.243
  142    HB2  GLU  22           HB2      GLU  22  -7.250   5.706   6.575
  143    HB3  GLU  22           HB3      GLU  22  -7.783   7.214   5.848
  144    HG2  GLU  22           HG2      GLU  22  -9.255   5.885   4.322
  145    HG3  GLU  22           HG3      GLU  22  -8.787   4.438   5.191
  146    H    ASN  23           H        ASN  23  -7.528   5.317   2.393
  147    HA   ASN  23           HA       ASN  23  -8.431   6.203   0.595
  148    HB2  ASN  23           HB2      ASN  23  -8.280   8.797   2.026
  149    HB3  ASN  23           HB3      ASN  23  -8.925   8.615   0.398
  150   HD21  ASN  23          HD21      ASN  23 -10.105   9.239   3.142
  151   HD22  ASN  23          HD22      ASN  23 -11.433   8.189   3.270
  152    H    ASP  24           H        ASP  24  -5.273   6.803   1.395
  153    HA   ASP  24           HA       ASP  24  -4.522   8.182  -1.028
  154    HB2  ASP  24           HB2      ASP  24  -3.025   6.348   0.844
  155    HB3  ASP  24           HB3      ASP  24  -2.305   6.985  -0.618
  156    H    LYS  25           H        LYS  25  -3.840   7.226  -2.956
  157    HA   LYS  25           HA       LYS  25  -4.779   4.499  -3.443
  158    HB2  LYS  25           HB2      LYS  25  -4.062   6.753  -5.296
  159    HB3  LYS  25           HB3      LYS  25  -4.412   5.122  -5.844
  160    HG2  LYS  25           HG2      LYS  25  -6.647   5.271  -4.832
  161    HG3  LYS  25           HG3      LYS  25  -6.290   6.917  -4.309
  162    HD2  LYS  25           HD2      LYS  25  -5.970   7.618  -6.634
  163    HD3  LYS  25           HD3      LYS  25  -6.242   5.972  -7.188
  164    HE2  LYS  25           HE2      LYS  25  -8.545   6.060  -6.356
  165    HE3  LYS  25           HE3      LYS  25  -8.275   7.690  -5.749
  166    HZ1  LYS  25           HZ1      LYS  25  -7.820   8.395  -8.059
  167    HZ2  LYS  25           HZ2      LYS  25  -9.396   7.790  -7.869
  168    HZ3  LYS  25           HZ3      LYS  25  -8.199   6.833  -8.604
  169    H    ILE  26           H        ILE  26  -3.485   2.904  -4.092
  170    HA   ILE  26           HA       ILE  26  -0.567   3.380  -4.293
  171    HB   ILE  26           HB       ILE  26  -2.049   0.924  -3.265
  172   HG12  ILE  26          HG12      ILE  26  -0.425   1.471  -1.298
  173   HG13  ILE  26          HG13      ILE  26  -0.441   3.079  -1.970
  174   HG21  ILE  26          HG21      ILE  26   0.859   1.493  -3.861
  175   HG22  ILE  26          HG22      ILE  26  -0.143   0.181  -4.484
  176   HG23  ILE  26          HG23      ILE  26   0.356   0.183  -2.793
  177   HD11  ILE  26          HD11      ILE  26  -1.985   2.801  -0.067
  178   HD12  ILE  26          HD12      ILE  26  -2.882   1.595  -0.986
  179   HD13  ILE  26          HD13      ILE  26  -2.826   3.267  -1.544
  180    H    ILE  27           H        ILE  27   0.121   2.933  -6.297
  181    HA   ILE  27           HA       ILE  27  -1.697   1.528  -8.115
  182    HB   ILE  27           HB       ILE  27  -0.984   2.957  -9.881
  183   HG12  ILE  27          HG12      ILE  27   0.958   4.269  -7.988
  184   HG13  ILE  27          HG13      ILE  27   1.408   3.069  -9.190
  185   HG21  ILE  27          HG21      ILE  27  -1.352   4.739  -7.477
  186   HG22  ILE  27          HG22      ILE  27  -2.657   3.829  -8.240
  187   HG23  ILE  27          HG23      ILE  27  -1.803   5.075  -9.150
  188   HD11  ILE  27          HD11      ILE  27   1.750   5.481  -9.895
  189   HD12  ILE  27          HD12      ILE  27  -0.006   5.653  -9.892
  190   HD13  ILE  27          HD13      ILE  27   0.767   4.517 -10.997
  191    H    ASN  28           H        ASN  28  -0.658   0.611 -10.067
  192    HA   ASN  28           HA       ASN  28   0.602  -1.073 -10.936
  193    HB2  ASN  28           HB2      ASN  28   2.833   0.585  -9.791
  194    HB3  ASN  28           HB3      ASN  28   3.018  -0.692 -10.984
  195   HD21  ASN  28          HD21      ASN  28   3.300   2.437 -10.907
  196   HD22  ASN  28          HD22      ASN  28   2.545   2.932 -12.345
  197    H    ILE  29           H        ILE  29  -0.525  -1.970  -8.751
  198    HA   ILE  29           HA       ILE  29   1.283  -2.898  -6.777
  199    HB   ILE  29           HB       ILE  29  -1.469  -3.830  -7.552
  200   HG12  ILE  29          HG12      ILE  29  -0.522  -2.135  -5.255
  201   HG13  ILE  29          HG13      ILE  29  -1.070  -1.475  -6.778
  202   HG21  ILE  29          HG21      ILE  29  -0.345  -5.642  -6.363
  203   HG22  ILE  29          HG22      ILE  29  -1.552  -4.892  -5.320
  204   HG23  ILE  29          HG23      ILE  29   0.158  -4.525  -5.094
  205   HD11  ILE  29          HD11      ILE  29  -2.682  -3.070  -4.810
  206   HD12  ILE  29          HD12      ILE  29  -3.262  -2.539  -6.389
  207   HD13  ILE  29          HD13      ILE  29  -2.824  -1.349  -5.162
  208    H    GLU  30           H        GLU  30   2.585  -4.495  -6.735
  209    HA   GLU  30           HA       GLU  30   2.517  -6.555  -8.830
  210    HB2  GLU  30           HB2      GLU  30   4.865  -5.275  -7.398
  211    HB3  GLU  30           HB3      GLU  30   5.006  -6.731  -8.387
  212    HG2  GLU  30           HG2      GLU  30   4.103  -5.539 -10.311
  213    HG3  GLU  30           HG3      GLU  30   3.847  -4.110  -9.346
  214    H    PHE  31           H        PHE  31   1.883  -8.422  -8.090
  215    HA   PHE  31           HA       PHE  31   1.492  -8.919  -5.327
  216    HD1  PHE  31           HD2      PHE  31  -1.195 -10.170  -5.092
  217    HD2  PHE  31           HD1      PHE  31  -0.072  -8.991  -9.001
  218    HE1  PHE  31           HE2      PHE  31  -3.412  -9.104  -5.409
  219    HE2  PHE  31           HE1      PHE  31  -2.262  -7.951  -9.313
  220    HZ   PHE  31           HZ       PHE  31  -3.922  -7.987  -7.531
  221    HB2  PHE  31           HB2      PHE  31   1.216 -10.669  -7.771
  222    HB3  PHE  31           HB3      PHE  31   0.732 -11.165  -6.158
  223    H    VAL  32           H        VAL  32   3.840  -8.501  -4.847
  224    HA   VAL  32           HA       VAL  32   5.792 -10.388  -5.515
  225    HB   VAL  32           HB       VAL  32   6.374  -8.183  -4.658
  226   HG11  VAL  32          HG11      VAL  32   5.547  -9.160  -1.933
  227   HG12  VAL  32          HG12      VAL  32   4.563  -8.102  -2.943
  228   HG13  VAL  32          HG13      VAL  32   6.140  -7.558  -2.371
  229   HG21  VAL  32          HG21      VAL  32   8.321  -8.814  -3.603
  230   HG22  VAL  32          HG22      VAL  32   7.840 -10.322  -4.383
  231   HG23  VAL  32          HG23      VAL  32   7.530 -10.080  -2.663
  232    H    ASP  33           H        ASP  33   3.587 -10.375  -2.773
  233    HA   ASP  33           HA       ASP  33   4.215 -13.194  -2.287
  234    HB2  ASP  33           HB2      ASP  33   5.570 -11.529  -0.790
  235    HB3  ASP  33           HB3      ASP  33   4.035 -11.259   0.015
  236    H    ASP  34           H        ASP  34   2.443 -14.075  -0.748
  237    HA   ASP  34           HA       ASP  34  -0.117 -13.407  -1.782
  238    HB2  ASP  34           HB2      ASP  34  -1.000 -14.952  -0.091
  239    HB3  ASP  34           HB3      ASP  34   0.345 -15.660  -0.964
  240    H    ASP  35           H        ASP  35   1.568 -12.611   1.205
  241    HA   ASP  35           HA       ASP  35  -0.747 -11.218   2.268
  242    HB2  ASP  35           HB2      ASP  35   0.674 -11.028   4.311
  243    HB3  ASP  35           HB3      ASP  35   0.371 -12.677   3.779
  244    H    TRP  36           H        TRP  36   2.532 -10.428   1.290
  245    HA   TRP  36           HA       TRP  36   1.957  -7.567   1.724
  246    HD1  TRP  36           HD1      TRP  36   3.769 -10.098   4.120
  247    HE1  TRP  36           HE1      TRP  36   3.798  -8.922   6.418
  248    HE3  TRP  36           HE3      TRP  36   4.237  -5.264   2.576
  249    HZ2  TRP  36           HZ2      TRP  36   3.984  -6.302   7.440
  250    HZ3  TRP  36           HZ3      TRP  36   4.382  -3.494   4.271
  251    HH2  TRP  36           HH2      TRP  36   4.255  -4.002   6.653
  252    HB2  TRP  36           HB2      TRP  36   4.489  -9.191   1.656
  253    HB3  TRP  36           HB3      TRP  36   4.516  -7.454   1.420
  254    H    TRP  37           H        TRP  37   1.901  -6.276  -0.021
  255    HA   TRP  37           HA       TRP  37   2.684  -7.386  -2.623
  256    HD1  TRP  37           HD1      TRP  37   1.202  -9.066  -2.088
  257    HE1  TRP  37           HE1      TRP  37  -0.992 -10.417  -2.179
  258    HE3  TRP  37           HE3      TRP  37  -2.065  -5.289  -3.137
  259    HZ2  TRP  37           HZ2      TRP  37  -3.690  -9.969  -2.614
  260    HZ3  TRP  37           HZ3      TRP  37  -4.461  -5.859  -3.390
  261    HH2  TRP  37           HH2      TRP  37  -5.242  -8.163  -3.138
  262    HB2  TRP  37           HB2      TRP  37   0.488  -5.407  -2.044
  263    HB3  TRP  37           HB3      TRP  37   0.997  -5.927  -3.638
  264    H    LEU  38           H        LEU  38   3.511  -5.873  -4.097
  265    HA   LEU  38           HA       LEU  38   5.013  -3.687  -2.821
  266    HG   LEU  38           HG       LEU  38   6.366  -3.060  -5.849
  267    HB2  LEU  38           HB2      LEU  38   6.275  -5.374  -3.977
  268    HB3  LEU  38           HB3      LEU  38   5.291  -5.194  -5.386
  269   HD11  LEU  38          HD11      LEU  38   7.962  -3.641  -3.368
  270   HD12  LEU  38          HD12      LEU  38   6.906  -2.263  -3.678
  271   HD13  LEU  38          HD13      LEU  38   8.413  -2.441  -4.576
  272   HD21  LEU  38          HD21      LEU  38   8.417  -3.871  -6.629
  273   HD22  LEU  38          HD22      LEU  38   7.319  -5.251  -6.642
  274   HD23  LEU  38          HD23      LEU  38   8.514  -5.084  -5.356
  275    H    GLY  39           H        GLY  39   4.535  -1.579  -3.461
  276    HA2  GLY  39           HA2      GLY  39   3.220  -1.135  -5.992
  277    HA3  GLY  39           HA3      GLY  39   2.231  -0.749  -4.591
  278    H    GLU  40           H        GLU  40   2.575   1.237  -6.110
  279    HA   GLU  40           HA       GLU  40   4.656   2.951  -4.914
  280    HB2  GLU  40           HB2      GLU  40   5.080   2.416  -7.276
  281    HB3  GLU  40           HB3      GLU  40   3.485   3.005  -7.695
  282    HG2  GLU  40           HG2      GLU  40   4.134   5.247  -6.917
  283    HG3  GLU  40           HG3      GLU  40   5.735   4.641  -6.543
  284    H    LEU  41           H        LEU  41   3.957   4.941  -4.165
  285    HA   LEU  41           HA       LEU  41   1.119   5.232  -3.812
  286    HG   LEU  41           HG       LEU  41   3.585   5.343  -1.725
  287    HB2  LEU  41           HB2      LEU  41   3.318   7.162  -3.179
  288    HB3  LEU  41           HB3      LEU  41   1.639   7.374  -2.748
  289   HD11  LEU  41          HD11      LEU  41   3.354   6.407   0.374
  290   HD12  LEU  41          HD12      LEU  41   1.972   7.356  -0.173
  291   HD13  LEU  41          HD13      LEU  41   3.580   7.691  -0.813
  292   HD21  LEU  41          HD21      LEU  41   1.528   4.182  -1.991
  293   HD22  LEU  41          HD22      LEU  41   0.642   5.490  -1.206
  294   HD23  LEU  41          HD23      LEU  41   1.789   4.521  -0.282
  295    H    GLU  42           H        GLU  42  -0.316   6.401  -4.916
  296    HA   GLU  42           HA       GLU  42   0.267   7.592  -7.414
  297    HB2  GLU  42           HB2      GLU  42  -1.996   6.914  -6.789
  298    HB3  GLU  42           HB3      GLU  42  -2.000   8.050  -5.454
  299    HG2  GLU  42           HG2      GLU  42  -1.584   9.820  -7.296
  300    HG3  GLU  42           HG3      GLU  42  -2.148   8.577  -8.391
  301    H    LYS  43           H        LYS  43   0.103   8.913  -4.090
  302    HA   LYS  43           HA       LYS  43   0.060  11.548  -5.080
  303    HB2  LYS  43           HB2      LYS  43   0.092  12.317  -2.853
  304    HB3  LYS  43           HB3      LYS  43  -0.904  10.877  -2.937
  305    HG2  LYS  43           HG2      LYS  43   1.094   9.595  -2.115
  306    HG3  LYS  43           HG3      LYS  43   1.858  11.153  -1.809
  307    HD2  LYS  43           HD2      LYS  43  -0.090  11.782  -0.378
  308    HD3  LYS  43           HD3      LYS  43  -0.756  10.176  -0.621
  309    HE2  LYS  43           HE2      LYS  43   1.193   9.202   0.463
  310    HE3  LYS  43           HE3      LYS  43   1.878  10.812   0.685
  311    HZ1  LYS  43           HZ1      LYS  43   0.801  10.279   2.679
  312    HZ2  LYS  43           HZ2      LYS  43  -0.584   9.700   1.883
  313    HZ3  LYS  43           HZ3      LYS  43  -0.236  11.362   1.886
  314    H    ASP  44           H        ASP  44   2.843   9.587  -4.440
  315    HA   ASP  44           HA       ASP  44   4.458  11.938  -5.025
  316    HB2  ASP  44           HB2      ASP  44   5.935  11.649  -3.153
  317    HB3  ASP  44           HB3      ASP  44   4.291  11.929  -2.623
  318    H    GLY  45           H        GLY  45   4.019   8.758  -5.831
  319    HA2  GLY  45           HA2      GLY  45   5.314   7.532  -7.298
  320    HA3  GLY  45           HA3      GLY  45   6.522   8.797  -7.229
  321    H    SER  46           H        SER  46   5.971   7.840  -4.053
  322    HA   SER  46           HA       SER  46   8.484   6.445  -3.952
  323    HG   SER  46           HG       SER  46   5.630   7.491  -1.897
  324    HB2  SER  46           HB2      SER  46   8.009   6.086  -1.584
  325    HB3  SER  46           HB3      SER  46   7.781   7.761  -2.039
  326    H    LYS  47           H        LYS  47   8.822   4.232  -3.427
  327    HA   LYS  47           HA       LYS  47   6.545   2.457  -4.058
  328    HB2  LYS  47           HB2      LYS  47   9.399   2.203  -5.026
  329    HB3  LYS  47           HB3      LYS  47   8.132   1.017  -5.282
  330    HG2  LYS  47           HG2      LYS  47   6.850   2.819  -6.471
  331    HG3  LYS  47           HG3      LYS  47   8.299   3.803  -6.381
  332    HD2  LYS  47           HD2      LYS  47   9.513   1.993  -7.596
  333    HD3  LYS  47           HD3      LYS  47   7.967   1.173  -7.805
  334    HE2  LYS  47           HE2      LYS  47   7.159   3.424  -8.778
  335    HE3  LYS  47           HE3      LYS  47   8.861   3.813  -8.918
  336    HZ1  LYS  47           HZ1      LYS  47   9.021   2.593 -10.747
  337    HZ2  LYS  47           HZ2      LYS  47   7.327   2.472 -10.742
  338    HZ3  LYS  47           HZ3      LYS  47   8.270   1.252 -10.029
  339    H    GLY  48           H        GLY  48   6.623   0.410  -3.067
  340    HA2  GLY  48           HA2      GLY  48   8.661  -0.712  -1.640
  341    HA3  GLY  48           HA3      GLY  48   7.921   0.416  -0.516
  342    H    LEU  49           H        LEU  49   7.934  -2.021   0.261
  343    HA   LEU  49           HA       LEU  49   5.728  -3.641  -0.505
  344    HG   LEU  49           HG       LEU  49   8.612  -4.304  -0.195
  345    HB2  LEU  49           HB2      LEU  49   7.500  -3.597   1.927
  346    HB3  LEU  49           HB3      LEU  49   6.279  -4.812   1.637
  347   HD11  LEU  49          HD11      LEU  49   9.692  -6.156   0.855
  348   HD12  LEU  49          HD12      LEU  49   8.292  -6.452   1.884
  349   HD13  LEU  49          HD13      LEU  49   9.257  -4.993   2.105
  350   HD21  LEU  49          HD21      LEU  49   8.002  -6.679  -0.886
  351   HD22  LEU  49          HD22      LEU  49   6.864  -5.419  -1.362
  352   HD23  LEU  49          HD23      LEU  49   6.506  -6.456   0.019
  353    H    PHE  50           H        PHE  50   3.743  -3.829   0.379
  354    HA   PHE  50           HA       PHE  50   3.118  -2.297   2.783
  355    HD1  PHE  50           HD1      PHE  50   2.746  -1.677  -1.443
  356    HD2  PHE  50           HD2      PHE  50  -0.542  -2.777   1.005
  357    HE1  PHE  50           HE1      PHE  50   1.575  -2.590  -3.394
  358    HE2  PHE  50           HE2      PHE  50  -1.697  -3.662  -0.946
  359    HZ   PHE  50           HZ       PHE  50  -0.661  -3.571  -3.153
  360    HB2  PHE  50           HB2      PHE  50   1.150  -1.287   1.847
  361    HB3  PHE  50           HB3      PHE  50   2.532  -0.830   0.873
  362    HA   PRO  51           HA       PRO  51   0.997  -6.042   3.482
  363    HB2  PRO  51           HB2      PRO  51  -0.675  -5.367   5.531
  364    HB3  PRO  51           HB3      PRO  51   1.080  -5.492   5.748
  365    HG2  PRO  51           HG2      PRO  51  -0.630  -3.092   5.475
  366    HG3  PRO  51           HG3      PRO  51   0.822  -3.349   6.461
  367    HD2  PRO  51           HD2      PRO  51   0.776  -2.016   4.045
  368    HD3  PRO  51           HD3      PRO  51   2.222  -2.766   4.777
  369    H    SER  52           H        SER  52  -0.629  -6.995   2.406
  370    HA   SER  52           HA       SER  52  -2.374  -5.556   0.814
  371    HG   SER  52           HG       SER  52  -1.327  -7.238  -0.498
  372    HB2  SER  52           HB2      SER  52  -2.646  -8.416   1.694
  373    HB3  SER  52           HB3      SER  52  -3.409  -7.682   0.290
  374    H    ASN  53           H        ASN  53  -3.039  -6.894   4.046
  375    HA   ASN  53           HA       ASN  53  -5.825  -6.546   3.827
  376    HB2  ASN  53           HB2      ASN  53  -4.772  -8.033   5.501
  377    HB3  ASN  53           HB3      ASN  53  -4.189  -6.625   6.373
  378   HD21  ASN  53          HD21      ASN  53  -5.455  -7.230   8.322
  379   HD22  ASN  53          HD22      ASN  53  -7.150  -7.160   8.377
  380    H    TYR  54           H        TYR  54  -3.532  -4.075   3.906
  381    HA   TYR  54           HA       TYR  54  -5.324  -2.279   5.355
  382    HD1  TYR  54           HD2      TYR  54  -2.491  -3.789   6.353
  383    HD2  TYR  54           HD1      TYR  54  -3.608   0.257   6.966
  384    HE1  TYR  54           HE2      TYR  54  -2.026  -4.016   8.746
  385    HE2  TYR  54           HE1      TYR  54  -3.151   0.026   9.365
  386    HH   TYR  54           HH       TYR  54  -1.602  -2.830  10.629
  387    HB2  TYR  54           HB2      TYR  54  -2.488  -2.008   4.479
  388    HB3  TYR  54           HB3      TYR  54  -3.444  -0.569   4.777
  389    H    VAL  55           H        VAL  55  -5.196  -3.314   2.229
  390    HA   VAL  55           HA       VAL  55  -6.411  -0.801   1.297
  391    HB   VAL  55           HB       VAL  55  -5.298  -0.973  -0.883
  392   HG11  VAL  55          HG11      VAL  55  -4.177   0.494   0.569
  393   HG12  VAL  55          HG12      VAL  55  -2.911  -0.521  -0.126
  394   HG13  VAL  55          HG13      VAL  55  -3.490  -0.828   1.512
  395   HG21  VAL  55          HG21      VAL  55  -4.956  -3.398  -0.873
  396   HG22  VAL  55          HG22      VAL  55  -3.686  -3.198   0.335
  397   HG23  VAL  55          HG23      VAL  55  -3.487  -2.511  -1.278
  398    H    SER  56           H        SER  56  -7.593  -1.049  -0.711
  399    HA   SER  56           HA       SER  56  -8.706  -3.719  -1.205
  400    HG   SER  56           HG       SER  56  -9.436  -0.466  -0.531
  401    HB2  SER  56           HB2      SER  56 -10.947  -2.657  -1.369
  402    HB3  SER  56           HB3      SER  56 -10.282  -2.596   0.260
  403    H    LEU  57           H        LEU  57  -8.739  -4.120  -3.420
  404    HA   LEU  57           HA       LEU  57  -7.512  -2.309  -5.168
  405    HG   LEU  57           HG       LEU  57  -7.604  -5.580  -4.723
  406    HB2  LEU  57           HB2      LEU  57  -9.326  -4.565  -5.960
  407    HB3  LEU  57           HB3      LEU  57  -8.203  -3.728  -7.008
  408   HD11  LEU  57          HD11      LEU  57  -6.847  -5.606  -7.649
  409   HD12  LEU  57          HD12      LEU  57  -8.148  -6.547  -6.918
  410   HD13  LEU  57          HD13      LEU  57  -6.472  -6.856  -6.465
  411   HD21  LEU  57          HD21      LEU  57  -5.190  -5.208  -5.453
  412   HD22  LEU  57          HD22      LEU  57  -5.931  -3.985  -4.421
  413   HD23  LEU  57          HD23      LEU  57  -5.770  -3.697  -6.153
  414    H    GLY  58           H        GLY  58  -8.181  -0.893  -6.675
  415    HA2  GLY  58           HA2      GLY  58  -9.559   0.529  -7.838
  416    HA3  GLY  58           HA3      GLY  58 -10.900  -0.531  -7.439
  417    H    ASN  59           H        ASN  59 -12.034   1.516  -7.345
  418    HA   ASN  59           HA       ASN  59 -11.475   3.334  -5.187
  419    HB2  ASN  59           HB2      ASN  59 -12.935   3.446  -7.636
  420    HB3  ASN  59           HB3      ASN  59 -14.034   3.862  -6.332
  421   HD21  ASN  59          HD21      ASN  59 -12.874   5.512  -8.488
  422   HD22  ASN  59          HD22      ASN  59 -12.086   6.809  -7.724
  Start of MODEL    8
    1    H    ALA   1           H        ALA   1  -2.361  -5.807 -12.785
    2    HA   ALA   1           HA       ALA   1  -0.671  -4.804 -11.321
    3    HB1  ALA   1           HB1      ALA   1   1.011  -4.317 -12.999
    4    HB2  ALA   1           HB2      ALA   1   0.515  -2.823 -12.205
    5    HB3  ALA   1           HB3      ALA   1  -0.088  -3.208 -13.817
    6    HA   PRO   2           HA       PRO   2  -4.679  -2.394 -11.450
    7    HB2  PRO   2           HB2      PRO   2  -5.710  -3.416  -9.195
    8    HB3  PRO   2           HB3      PRO   2  -5.687  -4.406 -10.671
    9    HG2  PRO   2           HG2      PRO   2  -3.843  -4.451  -8.336
   10    HG3  PRO   2           HG3      PRO   2  -4.598  -5.802  -9.207
   11    HD2  PRO   2           HD2      PRO   2  -2.042  -4.920  -9.680
   12    HD3  PRO   2           HD3      PRO   2  -3.040  -5.772 -10.875
   13    H    TRP   3           H        TRP   3  -5.462  -0.945  -9.694
   14    HA   TRP   3           HA       TRP   3  -3.394  -0.132  -7.778
   15    HD1  TRP   3           HD1      TRP   3  -5.380   1.456 -11.435
   16    HE1  TRP   3           HE1      TRP   3  -7.733   2.440 -11.765
   17    HE3  TRP   3           HE3      TRP   3  -6.482   2.662  -6.604
   18    HZ2  TRP   3           HZ2      TRP   3  -9.789   3.527 -10.226
   19    HZ3  TRP   3           HZ3      TRP   3  -8.666   3.683  -6.131
   20    HH2  TRP   3           HH2      TRP   3 -10.282   4.106  -7.910
   21    HB2  TRP   3           HB2      TRP   3  -4.284   2.133  -7.839
   22    HB3  TRP   3           HB3      TRP   3  -3.642   1.635  -9.386
   23    H    ALA   4           H        ALA   4  -4.341   0.895  -5.844
   24    HA   ALA   4           HA       ALA   4  -6.958  -0.165  -5.072
   25    HB1  ALA   4           HB1      ALA   4  -5.116  -1.815  -4.529
   26    HB2  ALA   4           HB2      ALA   4  -6.069  -1.275  -3.147
   27    HB3  ALA   4           HB3      ALA   4  -4.461  -0.605  -3.426
   28    H    THR   5           H        THR   5  -7.624   0.617  -2.967
   29    HA   THR   5           HA       THR   5  -6.633   3.337  -2.360
   30    HB   THR   5           HB       THR   5  -8.995   3.687  -1.436
   31    HG1  THR   5           HG1      THR   5  -9.387   1.296  -2.940
   32   HG21  THR   5          HG21      THR   5  -8.517   3.151  -4.361
   33   HG22  THR   5          HG22      THR   5  -8.573   4.707  -3.532
   34   HG23  THR   5          HG23      THR   5 -10.053   3.777  -3.764
   35    H    ALA   6           H        ALA   6  -5.885   3.613  -0.328
   36    HA   ALA   6           HA       ALA   6  -5.566   1.390   1.414
   37    HB1  ALA   6           HB1      ALA   6  -3.964   3.194   1.432
   38    HB2  ALA   6           HB2      ALA   6  -4.740   3.119   3.013
   39    HB3  ALA   6           HB3      ALA   6  -5.220   4.358   1.853
   40    H    GLU   7           H        GLU   7  -6.737   0.699   3.071
   41    HA   GLU   7           HA       GLU   7  -9.322   2.023   3.578
   42    HB2  GLU   7           HB2      GLU   7  -8.267  -0.702   4.294
   43    HB3  GLU   7           HB3      GLU   7  -9.850  -0.100   4.744
   44    HG2  GLU   7           HG2      GLU   7  -8.857  -0.485   1.923
   45    HG3  GLU   7           HG3      GLU   7  -9.919  -1.583   2.790
   46    H    TYR   8           H        TYR   8  -6.274   1.234   5.090
   47    HA   TYR   8           HA       TYR   8  -7.085   2.659   7.541
   48    HD1  TYR   8           HD2      TYR   8  -8.352   1.116   9.707
   49    HD2  TYR   8           HD1      TYR   8  -7.063  -1.436   6.560
   50    HE1  TYR   8           HE2      TYR   8 -10.411  -0.263   9.955
   51    HE2  TYR   8           HE1      TYR   8  -9.094  -2.790   6.786
   52    HH   TYR   8           HH       TYR   8 -10.818  -3.147   8.995
   53    HB2  TYR   8           HB2      TYR   8  -5.540   0.043   7.501
   54    HB3  TYR   8           HB3      TYR   8  -5.922   0.993   8.924
   55    H    ASP   9           H        ASP   9  -5.246   3.620   8.586
   56    HA   ASP   9           HA       ASP   9  -3.183   4.540   6.816
   57    HB2  ASP   9           HB2      ASP   9  -3.423   4.667   9.837
   58    HB3  ASP   9           HB3      ASP   9  -2.131   5.415   8.926
   59    H    TYR  10           H        TYR  10  -1.118   3.692   6.594
   60    HA   TYR  10           HA       TYR  10  -0.287   1.551   8.430
   61    HD1  TYR  10           HD1      TYR  10   0.226  -1.000   8.184
   62    HD2  TYR  10           HD2      TYR  10   2.483   1.024   5.215
   63    HE1  TYR  10           HE1      TYR  10   2.181  -2.324   8.791
   64    HE2  TYR  10           HE2      TYR  10   4.449  -0.323   5.810
   65    HH   TYR  10           HH       TYR  10   5.243  -1.558   7.929
   66    HB2  TYR  10           HB2      TYR  10  -0.887   0.379   6.362
   67    HB3  TYR  10           HB3      TYR  10   0.130   1.475   5.427
   68    H    ASP  11           H        ASP  11   1.497   2.062   9.368
   69    HA   ASP  11           HA       ASP  11   3.169   4.212   8.250
   70    HB2  ASP  11           HB2      ASP  11   2.427   4.618  10.505
   71    HB3  ASP  11           HB3      ASP  11   2.953   3.024  11.014
   72    H    ALA  12           H        ALA  12   4.962   3.531   7.160
   73    HA   ALA  12           HA       ALA  12   5.890   0.861   7.227
   74    HB1  ALA  12           HB1      ALA  12   7.944   1.792   6.188
   75    HB2  ALA  12           HB2      ALA  12   7.301   3.411   6.462
   76    HB3  ALA  12           HB3      ALA  12   6.459   2.296   5.383
   77    H    ALA  13           H        ALA  13   7.365  -0.147   8.408
   78    HA   ALA  13           HA       ALA  13   8.586   1.288  10.672
   79    HB1  ALA  13           HB1      ALA  13   8.705  -0.816  11.843
   80    HB2  ALA  13           HB2      ALA  13   8.146  -1.695  10.419
   81    HB3  ALA  13           HB3      ALA  13   7.052  -0.605  11.269
   82    H    GLU  14           H        GLU  14   9.247   0.110   7.636
   83    HA   GLU  14           HA       GLU  14  12.110  -0.173   8.276
   84    HB2  GLU  14           HB2      GLU  14  10.552  -1.923   6.359
   85    HB3  GLU  14           HB3      GLU  14  12.294  -1.898   6.490
   86    HG2  GLU  14           HG2      GLU  14  10.385  -2.724   8.653
   87    HG3  GLU  14           HG3      GLU  14  11.254  -3.814   7.591
   88    H    ASP  15           H        ASP  15  13.461   0.200   6.306
   89    HA   ASP  15           HA       ASP  15  12.680   2.550   4.982
   90    HB2  ASP  15           HB2      ASP  15  14.706   2.264   3.643
   91    HB3  ASP  15           HB3      ASP  15  15.001   2.076   5.364
   92    H    ASN  16           H        ASN  16  12.413  -0.811   4.010
   93    HA   ASN  16           HA       ASN  16  11.755  -0.051   1.291
   94    HB2  ASN  16           HB2      ASN  16  11.982  -2.744   2.610
   95    HB3  ASN  16           HB3      ASN  16  11.468  -2.528   0.945
   96   HD21  ASN  16          HD21      ASN  16  13.688  -4.049   1.555
   97   HD22  ASN  16          HD22      ASN  16  15.124  -3.241   1.157
   98    H    GLU  17           H        GLU  17   9.914   0.143   3.937
   99    HA   GLU  17           HA       GLU  17   7.479  -0.923   2.686
  100    HB2  GLU  17           HB2      GLU  17   8.104  -0.008   5.489
  101    HB3  GLU  17           HB3      GLU  17   6.487  -0.438   4.949
  102    HG2  GLU  17           HG2      GLU  17   7.222  -2.672   4.408
  103    HG3  GLU  17           HG3      GLU  17   8.879  -2.256   4.798
  104    H    LEU  18           H        LEU  18   5.777   0.302   2.130
  105    HA   LEU  18           HA       LEU  18   6.137   3.161   1.745
  106    HG   LEU  18           HG       LEU  18   5.666   1.065  -0.380
  107    HB2  LEU  18           HB2      LEU  18   3.812   1.306   1.283
  108    HB3  LEU  18           HB3      LEU  18   3.780   3.011   0.928
  109   HD11  LEU  18          HD11      LEU  18   3.529   0.358  -1.113
  110   HD12  LEU  18          HD12      LEU  18   4.112   1.441  -2.376
  111   HD13  LEU  18          HD13      LEU  18   2.925   2.011  -1.202
  112   HD21  LEU  18          HD21      LEU  18   4.947   3.936  -0.696
  113   HD22  LEU  18          HD22      LEU  18   5.572   3.013  -2.064
  114   HD23  LEU  18          HD23      LEU  18   6.539   3.185  -0.596
  115    H    THR  19           H        THR  19   4.955   4.703   2.697
  116    HA   THR  19           HA       THR  19   3.464   4.120   5.176
  117    HB   THR  19           HB       THR  19   5.200   6.519   4.468
  118    HG1  THR  19           HG1      THR  19   5.916   4.353   5.492
  119   HG21  THR  19          HG21      THR  19   3.331   7.435   5.656
  120   HG22  THR  19          HG22      THR  19   4.618   7.242   6.847
  121   HG23  THR  19          HG23      THR  19   3.296   6.076   6.779
  122    H    PHE  20           H        PHE  20   1.332   4.799   5.025
  123    HA   PHE  20           HA       PHE  20   0.657   6.979   3.279
  124    HD1  PHE  20           HD1      PHE  20  -2.281   4.059   3.537
  125    HD2  PHE  20           HD2      PHE  20   1.407   3.113   1.636
  126    HE1  PHE  20           HE1      PHE  20  -2.768   1.667   3.772
  127    HE2  PHE  20           HE2      PHE  20   0.924   0.721   1.899
  128    HZ   PHE  20           HZ       PHE  20  -1.159   0.000   2.971
  129    HB2  PHE  20           HB2      PHE  20  -0.985   5.689   1.960
  130    HB3  PHE  20           HB3      PHE  20   0.686   5.305   1.609
  131    H    VAL  21           H        VAL  21  -1.775   7.336   3.302
  132    HA   VAL  21           HA       VAL  21  -2.843   6.547   5.928
  133    HB   VAL  21           HB       VAL  21  -4.061   8.709   6.003
  134   HG11  VAL  21          HG11      VAL  21  -1.055   8.933   5.879
  135   HG12  VAL  21          HG12      VAL  21  -2.001   8.365   7.256
  136   HG13  VAL  21          HG13      VAL  21  -2.141  10.039   6.719
  137   HG21  VAL  21          HG21      VAL  21  -2.220   9.579   3.787
  138   HG22  VAL  21          HG22      VAL  21  -3.493  10.520   4.563
  139   HG23  VAL  21          HG23      VAL  21  -3.910   9.143   3.544
  140    H    GLU  22           H        GLU  22  -5.178   6.561   6.047
  141    HA   GLU  22           HA       GLU  22  -6.505   4.981   4.243
  142    HB2  GLU  22           HB2      GLU  22  -7.250   5.706   6.575
  143    HB3  GLU  22           HB3      GLU  22  -7.783   7.215   5.849
  144    HG2  GLU  22           HG2      GLU  22  -9.255   5.885   4.322
  145    HG3  GLU  22           HG3      GLU  22  -8.788   4.438   5.190
  146    H    ASN  23           H        ASN  23  -7.528   5.317   2.393
  147    HA   ASN  23           HA       ASN  23  -8.431   6.203   0.596
  148    HB2  ASN  23           HB2      ASN  23  -8.281   8.797   2.025
  149    HB3  ASN  23           HB3      ASN  23  -8.925   8.614   0.399
  150   HD21  ASN  23          HD21      ASN  23 -10.105   9.240   3.142
  151   HD22  ASN  23          HD22      ASN  23 -11.433   8.190   3.270
  152    H    ASP  24           H        ASP  24  -5.273   6.803   1.395
  153    HA   ASP  24           HA       ASP  24  -4.521   8.182  -1.028
  154    HB2  ASP  24           HB2      ASP  24  -3.025   6.348   0.844
  155    HB3  ASP  24           HB3      ASP  24  -2.304   6.985  -0.618
  156    H    LYS  25           H        LYS  25  -3.840   7.226  -2.956
  157    HA   LYS  25           HA       LYS  25  -4.779   4.500  -3.443
  158    HB2  LYS  25           HB2      LYS  25  -4.062   6.753  -5.295
  159    HB3  LYS  25           HB3      LYS  25  -4.412   5.122  -5.844
  160    HG2  LYS  25           HG2      LYS  25  -6.647   5.271  -4.832
  161    HG3  LYS  25           HG3      LYS  25  -6.291   6.917  -4.309
  162    HD2  LYS  25           HD2      LYS  25  -5.971   7.617  -6.634
  163    HD3  LYS  25           HD3      LYS  25  -6.242   5.973  -7.188
  164    HE2  LYS  25           HE2      LYS  25  -8.544   6.060  -6.356
  165    HE3  LYS  25           HE3      LYS  25  -8.275   7.689  -5.749
  166    HZ1  LYS  25           HZ1      LYS  25  -7.820   8.395  -8.059
  167    HZ2  LYS  25           HZ2      LYS  25  -9.395   7.791  -7.869
  168    HZ3  LYS  25           HZ3      LYS  25  -8.199   6.833  -8.604
  169    H    ILE  26           H        ILE  26  -3.485   2.903  -4.091
  170    HA   ILE  26           HA       ILE  26  -0.566   3.380  -4.293
  171    HB   ILE  26           HB       ILE  26  -2.049   0.924  -3.265
  172   HG12  ILE  26          HG12      ILE  26  -0.425   1.472  -1.298
  173   HG13  ILE  26          HG13      ILE  26  -0.441   3.080  -1.971
  174   HG21  ILE  26          HG21      ILE  26   0.859   1.494  -3.861
  175   HG22  ILE  26          HG22      ILE  26  -0.142   0.181  -4.484
  176   HG23  ILE  26          HG23      ILE  26   0.357   0.183  -2.793
  177   HD11  ILE  26          HD11      ILE  26  -1.985   2.802  -0.066
  178   HD12  ILE  26          HD12      ILE  26  -2.882   1.595  -0.986
  179   HD13  ILE  26          HD13      ILE  26  -2.827   3.267  -1.544
  180    H    ILE  27           H        ILE  27   0.121   2.933  -6.297
  181    HA   ILE  27           HA       ILE  27  -1.698   1.529  -8.116
  182    HB   ILE  27           HB       ILE  27  -0.985   2.958  -9.881
  183   HG12  ILE  27          HG12      ILE  27   0.957   4.269  -7.988
  184   HG13  ILE  27          HG13      ILE  27   1.407   3.069  -9.190
  185   HG21  ILE  27          HG21      ILE  27  -1.352   4.739  -7.477
  186   HG22  ILE  27          HG22      ILE  27  -2.657   3.829  -8.240
  187   HG23  ILE  27          HG23      ILE  27  -1.802   5.076  -9.150
  188   HD11  ILE  27          HD11      ILE  27   1.749   5.481  -9.896
  189   HD12  ILE  27          HD12      ILE  27  -0.006   5.653  -9.892
  190   HD13  ILE  27          HD13      ILE  27   0.766   4.518 -10.997
  191    H    ASN  28           H        ASN  28  -0.659   0.611 -10.066
  192    HA   ASN  28           HA       ASN  28   0.602  -1.073 -10.936
  193    HB2  ASN  28           HB2      ASN  28   2.833   0.585  -9.791
  194    HB3  ASN  28           HB3      ASN  28   3.017  -0.691 -10.985
  195   HD21  ASN  28          HD21      ASN  28   3.300   2.438 -10.908
  196   HD22  ASN  28          HD22      ASN  28   2.545   2.932 -12.345
  197    H    ILE  29           H        ILE  29  -0.524  -1.965  -8.748
  198    HA   ILE  29           HA       ILE  29   1.342  -2.937  -6.824
  199    HB   ILE  29           HB       ILE  29  -1.495  -3.722  -7.441
  200   HG12  ILE  29          HG12      ILE  29  -0.322  -2.070  -5.218
  201   HG13  ILE  29          HG13      ILE  29  -0.942  -1.394  -6.707
  202   HG21  ILE  29          HG21      ILE  29  -0.597  -5.610  -6.309
  203   HG22  ILE  29          HG22      ILE  29  -1.428  -4.662  -5.075
  204   HG23  ILE  29          HG23      ILE  29   0.330  -4.599  -5.201
  205   HD11  ILE  29          HD11      ILE  29  -2.481  -1.292  -4.753
  206   HD12  ILE  29          HD12      ILE  29  -2.584  -3.052  -4.823
  207   HD13  ILE  29          HD13      ILE  29  -3.148  -2.079  -6.182
  208    H    GLU  30           H        GLU  30   2.521  -4.636  -6.807
  209    HA   GLU  30           HA       GLU  30   2.290  -6.643  -8.941
  210    HB2  GLU  30           HB2      GLU  30   4.738  -5.592  -7.485
  211    HB3  GLU  30           HB3      GLU  30   4.757  -6.986  -8.569
  212    HG2  GLU  30           HG2      GLU  30   3.919  -5.616 -10.395
  213    HG3  GLU  30           HG3      GLU  30   3.769  -4.238  -9.339
  214    H    PHE  31           H        PHE  31   1.919  -8.650  -8.323
  215    HA   PHE  31           HA       PHE  31   1.278  -9.187  -5.598
  216    HD1  PHE  31           HD2      PHE  31   0.099  -9.193  -9.323
  217    HD2  PHE  31           HD1      PHE  31  -1.427 -10.620  -5.639
  218    HE1  PHE  31           HE2      PHE  31  -2.101  -8.161  -9.832
  219    HE2  PHE  31           HE1      PHE  31  -3.587  -9.594  -6.140
  220    HZ   PHE  31           HZ       PHE  31  -3.938  -8.384  -8.226
  221    HB2  PHE  31           HB2      PHE  31   1.286 -10.911  -8.078
  222    HB3  PHE  31           HB3      PHE  31   0.697 -11.452  -6.515
  223    H    VAL  32           H        VAL  32   3.608  -8.629  -5.011
  224    HA   VAL  32           HA       VAL  32   5.661 -10.459  -5.509
  225    HB   VAL  32           HB       VAL  32   5.343  -8.586  -3.171
  226   HG11  VAL  32          HG11      VAL  32   7.875  -8.854  -3.051
  227   HG12  VAL  32          HG12      VAL  32   7.647 -10.313  -4.015
  228   HG13  VAL  32          HG13      VAL  32   6.889 -10.177  -2.429
  229   HG21  VAL  32          HG21      VAL  32   6.998  -7.221  -4.424
  230   HG22  VAL  32          HG22      VAL  32   5.447  -7.390  -5.247
  231   HG23  VAL  32          HG23      VAL  32   6.836  -8.338  -5.780
  232    H    ASP  33           H        ASP  33   3.451 -10.355  -2.740
  233    HA   ASP  33           HA       ASP  33   4.007 -13.188  -2.230
  234    HB2  ASP  33           HB2      ASP  33   5.517 -12.010  -0.734
  235    HB3  ASP  33           HB3      ASP  33   4.229 -10.935  -0.217
  236    H    ASP  34           H        ASP  34   2.219 -14.086  -0.811
  237    HA   ASP  34           HA       ASP  34  -0.330 -13.320  -1.756
  238    HB2  ASP  34           HB2      ASP  34   0.627 -15.152   0.415
  239    HB3  ASP  34           HB3      ASP  34  -1.074 -14.735   0.330
  240    H    ASP  35           H        ASP  35   1.403 -12.615   1.228
  241    HA   ASP  35           HA       ASP  35  -0.863 -11.230   2.377
  242    HB2  ASP  35           HB2      ASP  35   1.897 -11.619   3.521
  243    HB3  ASP  35           HB3      ASP  35   0.441 -11.157   4.394
  244    H    TRP  36           H        TRP  36   2.361 -10.372   1.273
  245    HA   TRP  36           HA       TRP  36   1.703  -7.520   1.671
  246    HD1  TRP  36           HD1      TRP  36   3.296 -10.184   3.969
  247    HE1  TRP  36           HE1      TRP  36   3.263  -9.255   6.376
  248    HE3  TRP  36           HE3      TRP  36   4.124  -5.257   2.971
  249    HZ2  TRP  36           HZ2      TRP  36   3.543  -6.771   7.679
  250    HZ3  TRP  36           HZ3      TRP  36   4.276  -3.683   4.850
  251    HH2  TRP  36           HH2      TRP  36   3.988  -4.424   7.156
  252    HB2  TRP  36           HB2      TRP  36   4.336  -8.998   1.659
  253    HB3  TRP  36           HB3      TRP  36   4.213  -7.250   1.596
  254    H    TRP  37           H        TRP  37   1.895  -6.200  -0.081
  255    HA   TRP  37           HA       TRP  37   2.760  -7.391  -2.619
  256    HD1  TRP  37           HD1      TRP  37   1.618  -9.009  -3.380
  257    HE1  TRP  37           HE1      TRP  37  -0.416 -10.555  -3.715
  258    HE3  TRP  37           HE3      TRP  37  -2.128  -5.664  -2.493
  259    HZ2  TRP  37           HZ2      TRP  37  -3.181 -10.400  -3.613
  260    HZ3  TRP  37           HZ3      TRP  37  -4.465  -6.463  -2.650
  261    HH2  TRP  37           HH2      TRP  37  -4.966  -8.788  -3.207
  262    HB2  TRP  37           HB2      TRP  37   0.402  -5.613  -2.069
  263    HB3  TRP  37           HB3      TRP  37   1.116  -5.751  -3.664
  264    H    LEU  38           H        LEU  38   3.647  -5.902  -4.082
  265    HA   LEU  38           HA       LEU  38   5.057  -3.669  -2.785
  266    HG   LEU  38           HG       LEU  38   6.553  -3.054  -5.726
  267    HB2  LEU  38           HB2      LEU  38   6.374  -5.374  -3.868
  268    HB3  LEU  38           HB3      LEU  38   5.459  -5.195  -5.322
  269   HD11  LEU  38          HD11      LEU  38   7.823  -3.607  -3.082
  270   HD12  LEU  38          HD12      LEU  38   7.090  -2.123  -3.691
  271   HD13  LEU  38          HD13      LEU  38   8.664  -2.643  -4.296
  272   HD21  LEU  38          HD21      LEU  38   8.665  -5.096  -5.149
  273   HD22  LEU  38          HD22      LEU  38   8.639  -3.866  -6.412
  274   HD23  LEU  38          HD23      LEU  38   7.534  -5.238  -6.493
  275    H    GLY  39           H        GLY  39   4.535  -1.583  -3.446
  276    HA2  GLY  39           HA2      GLY  39   3.255  -1.228  -6.029
  277    HA3  GLY  39           HA3      GLY  39   2.302  -0.748  -4.631
  278    H    GLU  40           H        GLU  40   2.447   1.261  -5.883
  279    HA   GLU  40           HA       GLU  40   4.649   2.943  -4.904
  280    HB2  GLU  40           HB2      GLU  40   5.053   2.354  -7.256
  281    HB3  GLU  40           HB3      GLU  40   3.451   2.935  -7.675
  282    HG2  GLU  40           HG2      GLU  40   4.118   5.193  -6.941
  283    HG3  GLU  40           HG3      GLU  40   5.726   4.589  -6.597
  284    H    LEU  41           H        LEU  41   3.958   4.941  -4.166
  285    HA   LEU  41           HA       LEU  41   1.119   5.233  -3.811
  286    HG   LEU  41           HG       LEU  41   3.586   5.343  -1.725
  287    HB2  LEU  41           HB2      LEU  41   3.318   7.161  -3.178
  288    HB3  LEU  41           HB3      LEU  41   1.640   7.374  -2.748
  289   HD11  LEU  41          HD11      LEU  41   3.355   6.406   0.374
  290   HD12  LEU  41          HD12      LEU  41   1.972   7.355  -0.172
  291   HD13  LEU  41          HD13      LEU  41   3.580   7.692  -0.812
  292   HD21  LEU  41          HD21      LEU  41   1.528   4.182  -1.991
  293   HD22  LEU  41          HD22      LEU  41   0.642   5.490  -1.206
  294   HD23  LEU  41          HD23      LEU  41   1.789   4.522  -0.282
  295    H    GLU  42           H        GLU  42  -0.315   6.401  -4.916
  296    HA   GLU  42           HA       GLU  42   0.266   7.593  -7.413
  297    HB2  GLU  42           HB2      GLU  42  -1.997   6.914  -6.788
  298    HB3  GLU  42           HB3      GLU  42  -2.000   8.050  -5.453
  299    HG2  GLU  42           HG2      GLU  42  -1.584   9.820  -7.296
  300    HG3  GLU  42           HG3      GLU  42  -2.147   8.577  -8.390
  301    H    LYS  43           H        LYS  43   0.102   8.913  -4.091
  302    HA   LYS  43           HA       LYS  43   0.060  11.548  -5.080
  303    HB2  LYS  43           HB2      LYS  43   0.091  12.317  -2.853
  304    HB3  LYS  43           HB3      LYS  43  -0.905  10.878  -2.938
  305    HG2  LYS  43           HG2      LYS  43   1.095   9.596  -2.114
  306    HG3  LYS  43           HG3      LYS  43   1.858  11.153  -1.809
  307    HD2  LYS  43           HD2      LYS  43  -0.090  11.782  -0.378
  308    HD3  LYS  43           HD3      LYS  43  -0.756  10.176  -0.621
  309    HE2  LYS  43           HE2      LYS  43   1.193   9.202   0.463
  310    HE3  LYS  43           HE3      LYS  43   1.879  10.812   0.685
  311    HZ1  LYS  43           HZ1      LYS  43   0.801  10.279   2.678
  312    HZ2  LYS  43           HZ2      LYS  43  -0.584   9.700   1.882
  313    HZ3  LYS  43           HZ3      LYS  43  -0.235  11.363   1.886
  314    H    ASP  44           H        ASP  44   2.843   9.586  -4.440
  315    HA   ASP  44           HA       ASP  44   4.458  11.938  -5.024
  316    HB2  ASP  44           HB2      ASP  44   5.935  11.648  -3.154
  317    HB3  ASP  44           HB3      ASP  44   4.291  11.928  -2.623
  318    H    GLY  45           H        GLY  45   4.020   8.757  -5.831
  319    HA2  GLY  45           HA2      GLY  45   5.315   7.532  -7.298
  320    HA3  GLY  45           HA3      GLY  45   6.522   8.797  -7.229
  321    H    SER  46           H        SER  46   5.971   7.840  -4.053
  322    HA   SER  46           HA       SER  46   8.485   6.445  -3.952
  323    HG   SER  46           HG       SER  46   5.630   7.491  -1.897
  324    HB2  SER  46           HB2      SER  46   8.010   6.087  -1.584
  325    HB3  SER  46           HB3      SER  46   7.782   7.761  -2.039
  326    H    LYS  47           H        LYS  47   8.822   4.233  -3.427
  327    HA   LYS  47           HA       LYS  47   6.545   2.457  -4.057
  328    HB2  LYS  47           HB2      LYS  47   9.398   2.203  -5.026
  329    HB3  LYS  47           HB3      LYS  47   8.131   1.016  -5.282
  330    HG2  LYS  47           HG2      LYS  47   6.849   2.819  -6.471
  331    HG3  LYS  47           HG3      LYS  47   8.299   3.803  -6.380
  332    HD2  LYS  47           HD2      LYS  47   9.512   1.993  -7.596
  333    HD3  LYS  47           HD3      LYS  47   7.967   1.173  -7.804
  334    HE2  LYS  47           HE2      LYS  47   7.159   3.424  -8.778
  335    HE3  LYS  47           HE3      LYS  47   8.861   3.813  -8.918
  336    HZ1  LYS  47           HZ1      LYS  47   9.022   2.593 -10.747
  337    HZ2  LYS  47           HZ2      LYS  47   7.327   2.472 -10.743
  338    HZ3  LYS  47           HZ3      LYS  47   8.270   1.252 -10.028
  339    H    GLY  48           H        GLY  48   6.625   0.407  -3.071
  340    HA2  GLY  48           HA2      GLY  48   8.656  -0.708  -1.628
  341    HA3  GLY  48           HA3      GLY  48   7.914   0.427  -0.512
  342    H    LEU  49           H        LEU  49   7.918  -2.005   0.280
  343    HA   LEU  49           HA       LEU  49   5.733  -3.642  -0.498
  344    HG   LEU  49           HG       LEU  49   8.602  -4.312  -0.155
  345    HB2  LEU  49           HB2      LEU  49   7.483  -3.560   1.945
  346    HB3  LEU  49           HB3      LEU  49   6.259  -4.776   1.679
  347   HD11  LEU  49          HD11      LEU  49   9.645  -6.182   0.927
  348   HD12  LEU  49          HD12      LEU  49   8.246  -6.405   1.977
  349   HD13  LEU  49          HD13      LEU  49   9.253  -4.967   2.142
  350   HD21  LEU  49          HD21      LEU  49   6.519  -6.488   0.097
  351   HD22  LEU  49          HD22      LEU  49   7.988  -6.657  -0.862
  352   HD23  LEU  49          HD23      LEU  49   6.798  -5.425  -1.281
  353    H    PHE  50           H        PHE  50   3.734  -3.835   0.360
  354    HA   PHE  50           HA       PHE  50   3.064  -2.260   2.724
  355    HD1  PHE  50           HD1      PHE  50  -0.582  -2.937   0.974
  356    HD2  PHE  50           HD2      PHE  50   2.612  -1.647  -1.504
  357    HE1  PHE  50           HE1      PHE  50  -1.770  -3.750  -1.012
  358    HE2  PHE  50           HE2      PHE  50   1.427  -2.475  -3.461
  359    HZ   PHE  50           HZ       PHE  50  -0.758  -3.535  -3.236
  360    HB2  PHE  50           HB2      PHE  50   1.116  -1.279   1.755
  361    HB3  PHE  50           HB3      PHE  50   2.482  -0.873   0.736
  362    HA   PRO  51           HA       PRO  51   0.994  -6.028   3.486
  363    HB2  PRO  51           HB2      PRO  51  -0.676  -5.332   5.533
  364    HB3  PRO  51           HB3      PRO  51   1.078  -5.456   5.745
  365    HG2  PRO  51           HG2      PRO  51  -0.629  -3.058   5.460
  366    HG3  PRO  51           HG3      PRO  51   0.838  -3.305   6.429
  367    HD2  PRO  51           HD2      PRO  51   0.739  -1.999   3.999
  368    HD3  PRO  51           HD3      PRO  51   2.201  -2.719   4.726
  369    H    SER  52           H        SER  52  -0.565  -6.958   2.312
  370    HA   SER  52           HA       SER  52  -2.351  -5.542   0.765
  371    HG   SER  52           HG       SER  52  -1.382  -7.424  -0.702
  372    HB2  SER  52           HB2      SER  52  -2.598  -8.417   1.609
  373    HB3  SER  52           HB3      SER  52  -3.337  -7.670   0.196
  374    H    ASN  53           H        ASN  53  -2.998  -6.940   3.977
  375    HA   ASN  53           HA       ASN  53  -5.787  -6.605   3.770
  376    HB2  ASN  53           HB2      ASN  53  -4.007  -6.889   6.192
  377    HB3  ASN  53           HB3      ASN  53  -5.756  -6.775   6.304
  378   HD21  ASN  53          HD21      ASN  53  -4.312  -9.119   7.227
  379   HD22  ASN  53          HD22      ASN  53  -4.616 -10.445   6.211
  380    H    TYR  54           H        TYR  54  -3.520  -4.119   3.855
  381    HA   TYR  54           HA       TYR  54  -5.312  -2.357   5.346
  382    HD1  TYR  54           HD2      TYR  54  -2.690  -3.939   6.309
  383    HD2  TYR  54           HD1      TYR  54  -3.344   0.202   6.969
  384    HE1  TYR  54           HE2      TYR  54  -2.186  -4.230   8.685
  385    HE2  TYR  54           HE1      TYR  54  -2.851  -0.096   9.355
  386    HH   TYR  54           HH       TYR  54  -2.964  -2.139  11.009
  387    HB2  TYR  54           HB2      TYR  54  -2.485  -2.044   4.445
  388    HB3  TYR  54           HB3      TYR  54  -3.453  -0.624   4.797
  389    H    VAL  55           H        VAL  55  -5.199  -3.345   2.204
  390    HA   VAL  55           HA       VAL  55  -6.434  -0.826   1.316
  391    HB   VAL  55           HB       VAL  55  -5.330  -0.979  -0.882
  392   HG11  VAL  55          HG11      VAL  55  -2.866  -0.662   0.068
  393   HG12  VAL  55          HG12      VAL  55  -3.744  -0.599   1.595
  394   HG13  VAL  55          HG13      VAL  55  -4.131   0.542   0.308
  395   HG21  VAL  55          HG21      VAL  55  -3.576  -2.492  -1.353
  396   HG22  VAL  55          HG22      VAL  55  -4.931  -3.441  -0.740
  397   HG23  VAL  55          HG23      VAL  55  -3.556  -3.084   0.307
  398    H    SER  56           H        SER  56  -7.623  -1.050  -0.688
  399    HA   SER  56           HA       SER  56  -8.728  -3.720  -1.206
  400    HG   SER  56           HG       SER  56 -10.917  -3.634  -1.859
  401    HB2  SER  56           HB2      SER  56 -10.311  -2.585   0.250
  402    HB3  SER  56           HB3      SER  56 -10.255  -1.148  -0.763
  403    H    LEU  57           H        LEU  57  -8.739  -4.120  -3.420
  404    HA   LEU  57           HA       LEU  57  -7.512  -2.309  -5.168
  405    HG   LEU  57           HG       LEU  57  -7.605  -5.580  -4.722
  406    HB2  LEU  57           HB2      LEU  57  -9.325  -4.564  -5.961
  407    HB3  LEU  57           HB3      LEU  57  -8.203  -3.727  -7.008
  408   HD11  LEU  57          HD11      LEU  57  -6.848  -5.607  -7.649
  409   HD12  LEU  57          HD12      LEU  57  -8.148  -6.547  -6.918
  410   HD13  LEU  57          HD13      LEU  57  -6.472  -6.856  -6.465
  411   HD21  LEU  57          HD21      LEU  57  -5.190  -5.207  -5.454
  412   HD22  LEU  57          HD22      LEU  57  -5.931  -3.985  -4.420
  413   HD23  LEU  57          HD23      LEU  57  -5.769  -3.697  -6.153
  414    H    GLY  58           H        GLY  58  -8.181  -0.893  -6.675
  415    HA2  GLY  58           HA2      GLY  58  -9.560   0.530  -7.838
  416    HA3  GLY  58           HA3      GLY  58 -10.900  -0.531  -7.439
  417    H    ASN  59           H        ASN  59 -12.034   1.516  -7.345
  418    HA   ASN  59           HA       ASN  59 -11.475   3.334  -5.188
  419    HB2  ASN  59           HB2      ASN  59 -12.934   3.447  -7.637
  420    HB3  ASN  59           HB3      ASN  59 -14.034   3.862  -6.333
  421   HD21  ASN  59          HD21      ASN  59 -12.874   5.513  -8.488
  422   HD22  ASN  59          HD22      ASN  59 -12.086   6.809  -7.725
  Start of MODEL    9
    1    H    ALA   1           H        ALA   1  -1.158  -4.075 -14.298
    2    HA   ALA   1           HA       ALA   1  -1.067  -5.170 -11.554
    3    HB1  ALA   1           HB1      ALA   1   1.148  -4.417 -12.218
    4    HB2  ALA   1           HB2      ALA   1   0.446  -3.284 -11.064
    5    HB3  ALA   1           HB3      ALA   1   0.480  -2.885 -12.781
    6    HA   PRO   2           HA       PRO   2  -4.680  -2.394 -11.451
    7    HB2  PRO   2           HB2      PRO   2  -5.710  -3.416  -9.195
    8    HB3  PRO   2           HB3      PRO   2  -5.687  -4.406 -10.671
    9    HG2  PRO   2           HG2      PRO   2  -3.842  -4.452  -8.336
   10    HG3  PRO   2           HG3      PRO   2  -4.597  -5.802  -9.207
   11    HD2  PRO   2           HD2      PRO   2  -2.042  -4.921  -9.680
   12    HD3  PRO   2           HD3      PRO   2  -3.039  -5.772 -10.875
   13    H    TRP   3           H        TRP   3  -5.462  -0.946  -9.694
   14    HA   TRP   3           HA       TRP   3  -3.394  -0.132  -7.777
   15    HD1  TRP   3           HD1      TRP   3  -5.381   1.456 -11.435
   16    HE1  TRP   3           HE1      TRP   3  -7.733   2.440 -11.765
   17    HE3  TRP   3           HE3      TRP   3  -6.481   2.662  -6.604
   18    HZ2  TRP   3           HZ2      TRP   3  -9.790   3.528 -10.226
   19    HZ3  TRP   3           HZ3      TRP   3  -8.666   3.683  -6.131
   20    HH2  TRP   3           HH2      TRP   3 -10.282   4.105  -7.911
   21    HB2  TRP   3           HB2      TRP   3  -4.283   2.133  -7.839
   22    HB3  TRP   3           HB3      TRP   3  -3.642   1.635  -9.385
   23    H    ALA   4           H        ALA   4  -4.341   0.895  -5.843
   24    HA   ALA   4           HA       ALA   4  -6.958  -0.166  -5.071
   25    HB1  ALA   4           HB1      ALA   4  -5.115  -1.816  -4.529
   26    HB2  ALA   4           HB2      ALA   4  -6.069  -1.276  -3.147
   27    HB3  ALA   4           HB3      ALA   4  -4.462  -0.605  -3.425
   28    H    THR   5           H        THR   5  -7.623   0.617  -2.966
   29    HA   THR   5           HA       THR   5  -6.578   3.303  -2.303
   30    HB   THR   5           HB       THR   5  -9.462   2.328  -2.165
   31    HG1  THR   5           HG1      THR   5  -9.015   2.850  -4.255
   32   HG21  THR   5          HG21      THR   5  -9.009   3.916  -0.390
   33   HG22  THR   5          HG22      THR   5  -9.915   4.731  -1.664
   34   HG23  THR   5          HG23      THR   5  -8.176   4.985  -1.516
   35    H    ALA   6           H        ALA   6  -5.940   3.504  -0.227
   36    HA   ALA   6           HA       ALA   6  -5.947   1.214   1.495
   37    HB1  ALA   6           HB1      ALA   6  -4.918   2.802   3.121
   38    HB2  ALA   6           HB2      ALA   6  -5.175   4.098   1.954
   39    HB3  ALA   6           HB3      ALA   6  -4.093   2.761   1.563
   40    H    GLU   7           H        GLU   7  -7.139   0.802   3.263
   41    HA   GLU   7           HA       GLU   7  -9.553   2.462   3.653
   42    HB2  GLU   7           HB2      GLU   7  -8.885  -0.385   4.339
   43    HB3  GLU   7           HB3      GLU   7 -10.319   0.428   4.935
   44    HG2  GLU   7           HG2      GLU   7 -11.100   0.749   2.651
   45    HG3  GLU   7           HG3      GLU   7  -9.637   0.001   2.029
   46    H    TYR   8           H        TYR   8  -6.584   1.548   5.131
   47    HA   TYR   8           HA       TYR   8  -7.307   2.973   7.606
   48    HD1  TYR   8           HD2      TYR   8  -8.185   2.032   9.943
   49    HD2  TYR   8           HD1      TYR   8  -4.224   0.645   9.258
   50    HE1  TYR   8           HE2      TYR   8  -7.563   2.586  12.290
   51    HE2  TYR   8           HE1      TYR   8  -3.609   1.172  11.571
   52    HH   TYR   8           HH       TYR   8  -4.446   2.797  13.352
   53    HB2  TYR   8           HB2      TYR   8  -7.472   0.443   7.942
   54    HB3  TYR   8           HB3      TYR   8  -5.755   0.366   7.589
   55    H    ASP   9           H        ASP   9  -5.421   3.886   8.608
   56    HA   ASP   9           HA       ASP   9  -3.359   4.722   6.787
   57    HB2  ASP   9           HB2      ASP   9  -3.587   4.934   9.806
   58    HB3  ASP   9           HB3      ASP   9  -2.257   5.596   8.883
   59    H    TYR  10           H        TYR  10  -1.285   3.860   6.618
   60    HA   TYR  10           HA       TYR  10  -0.517   1.718   8.475
   61    HD1  TYR  10           HD1      TYR  10  -0.049  -0.873   8.245
   62    HD2  TYR  10           HD2      TYR  10   2.250   1.114   5.282
   63    HE1  TYR  10           HE1      TYR  10   1.884  -2.221   8.863
   64    HE2  TYR  10           HE2      TYR  10   4.194  -0.259   5.891
   65    HH   TYR  10           HH       TYR  10   5.036  -1.660   7.498
   66    HB2  TYR  10           HB2      TYR  10  -1.135   0.518   6.431
   67    HB3  TYR  10           HB3      TYR  10  -0.108   1.580   5.473
   68    H    ASP  11           H        ASP  11   1.333   2.113   9.357
   69    HA   ASP  11           HA       ASP  11   3.036   4.238   8.225
   70    HB2  ASP  11           HB2      ASP  11   2.115   4.417  10.588
   71    HB3  ASP  11           HB3      ASP  11   3.148   3.061  10.998
   72    H    ALA  12           H        ALA  12   4.822   3.509   7.160
   73    HA   ALA  12           HA       ALA  12   5.679   0.823   7.218
   74    HB1  ALA  12           HB1      ALA  12   7.789   1.709   6.249
   75    HB2  ALA  12           HB2      ALA  12   7.183   3.342   6.533
   76    HB3  ALA  12           HB3      ALA  12   6.340   2.270   5.414
   77    H    ALA  13           H        ALA  13   7.025  -0.262   8.462
   78    HA   ALA  13           HA       ALA  13   8.215   1.079  10.793
   79    HB1  ALA  13           HB1      ALA  13   8.378  -1.176  11.783
   80    HB2  ALA  13           HB2      ALA  13   7.626  -1.857  10.342
   81    HB3  ALA  13           HB3      ALA  13   6.712  -0.763  11.380
   82    H    GLU  14           H        GLU  14   8.988   0.014   7.735
   83    HA   GLU  14           HA       GLU  14  11.831  -0.222   8.457
   84    HB2  GLU  14           HB2      GLU  14  10.376  -2.034   6.519
   85    HB3  GLU  14           HB3      GLU  14  12.112  -1.954   6.690
   86    HG2  GLU  14           HG2      GLU  14  10.178  -2.820   8.813
   87    HG3  GLU  14           HG3      GLU  14  11.107  -3.892   7.783
   88    H    ASP  15           H        ASP  15  13.223   0.163   6.512
   89    HA   ASP  15           HA       ASP  15  12.429   2.490   5.163
   90    HB2  ASP  15           HB2      ASP  15  14.744   0.644   4.935
   91    HB3  ASP  15           HB3      ASP  15  14.475   1.832   3.671
   92    H    ASN  16           H        ASN  16  12.309  -0.882   4.155
   93    HA   ASN  16           HA       ASN  16  11.682  -0.145   1.434
   94    HB2  ASN  16           HB2      ASN  16  11.940  -2.804   2.802
   95    HB3  ASN  16           HB3      ASN  16  11.363  -2.657   1.153
   96   HD21  ASN  16          HD21      ASN  16  13.664  -4.093   1.842
   97   HD22  ASN  16          HD22      ASN  16  15.054  -3.282   1.298
   98    H    GLU  17           H        GLU  17   9.763   0.101   4.006
   99    HA   GLU  17           HA       GLU  17   7.366  -0.973   2.688
  100    HB2  GLU  17           HB2      GLU  17   7.892  -0.058   5.511
  101    HB3  GLU  17           HB3      GLU  17   6.302  -0.515   4.914
  102    HG2  GLU  17           HG2      GLU  17   7.090  -2.735   4.404
  103    HG3  GLU  17           HG3      GLU  17   8.726  -2.295   4.848
  104    H    LEU  18           H        LEU  18   5.643   0.256   2.150
  105    HA   LEU  18           HA       LEU  18   6.040   3.108   1.736
  106    HG   LEU  18           HG       LEU  18   5.541   0.981  -0.382
  107    HB2  LEU  18           HB2      LEU  18   3.700   1.273   1.270
  108    HB3  LEU  18           HB3      LEU  18   3.687   2.977   0.902
  109   HD11  LEU  18          HD11      LEU  18   4.000   1.512  -2.399
  110   HD12  LEU  18          HD12      LEU  18   2.820   1.978  -1.173
  111   HD13  LEU  18          HD13      LEU  18   3.452   0.332  -1.209
  112   HD21  LEU  18          HD21      LEU  18   6.537   2.997  -0.681
  113   HD22  LEU  18          HD22      LEU  18   5.014   3.885  -0.589
  114   HD23  LEU  18          HD23      LEU  18   5.436   3.001  -2.056
  115    H    THR  19           H        THR  19   5.004   4.668   2.757
  116    HA   THR  19           HA       THR  19   3.447   4.126   5.204
  117    HB   THR  19           HB       THR  19   5.132   6.558   4.476
  118    HG1  THR  19           HG1      THR  19   5.465   4.364   6.213
  119   HG21  THR  19          HG21      THR  19   3.221   7.237   5.844
  120   HG22  THR  19          HG22      THR  19   4.683   7.260   6.828
  121   HG23  THR  19          HG23      THR  19   3.538   5.927   6.981
  122    H    PHE  20           H        PHE  20   1.332   4.800   5.025
  123    HA   PHE  20           HA       PHE  20   0.657   6.979   3.279
  124    HD1  PHE  20           HD1      PHE  20  -2.281   4.059   3.537
  125    HD2  PHE  20           HD2      PHE  20   1.407   3.113   1.636
  126    HE1  PHE  20           HE1      PHE  20  -2.768   1.667   3.773
  127    HE2  PHE  20           HE2      PHE  20   0.924   0.721   1.899
  128    HZ   PHE  20           HZ       PHE  20  -1.158   0.000   2.971
  129    HB2  PHE  20           HB2      PHE  20  -0.985   5.688   1.959
  130    HB3  PHE  20           HB3      PHE  20   0.686   5.305   1.608
  131    H    VAL  21           H        VAL  21  -1.775   7.336   3.302
  132    HA   VAL  21           HA       VAL  21  -2.844   6.547   5.928
  133    HB   VAL  21           HB       VAL  21  -4.062   8.709   6.004
  134   HG11  VAL  21          HG11      VAL  21  -1.055   8.933   5.879
  135   HG12  VAL  21          HG12      VAL  21  -2.001   8.365   7.256
  136   HG13  VAL  21          HG13      VAL  21  -2.142  10.039   6.719
  137   HG21  VAL  21          HG21      VAL  21  -2.220   9.579   3.787
  138   HG22  VAL  21          HG22      VAL  21  -3.492  10.520   4.563
  139   HG23  VAL  21          HG23      VAL  21  -3.909   9.143   3.545
  140    H    GLU  22           H        GLU  22  -5.178   6.562   6.047
  141    HA   GLU  22           HA       GLU  22  -6.506   4.981   4.243
  142    HB2  GLU  22           HB2      GLU  22  -7.250   5.707   6.576
  143    HB3  GLU  22           HB3      GLU  22  -7.784   7.214   5.849
  144    HG2  GLU  22           HG2      GLU  22  -9.255   5.884   4.321
  145    HG3  GLU  22           HG3      GLU  22  -8.787   4.437   5.190
  146    H    ASN  23           H        ASN  23  -7.528   5.317   2.392
  147    HA   ASN  23           HA       ASN  23  -8.431   6.203   0.596
  148    HB2  ASN  23           HB2      ASN  23  -8.280   8.798   2.026
  149    HB3  ASN  23           HB3      ASN  23  -8.925   8.614   0.399
  150   HD21  ASN  23          HD21      ASN  23 -10.105   9.239   3.142
  151   HD22  ASN  23          HD22      ASN  23 -11.433   8.189   3.270
  152    H    ASP  24           H        ASP  24  -5.273   6.803   1.395
  153    HA   ASP  24           HA       ASP  24  -4.522   8.181  -1.028
  154    HB2  ASP  24           HB2      ASP  24  -3.026   6.348   0.844
  155    HB3  ASP  24           HB3      ASP  24  -2.305   6.985  -0.619
  156    H    LYS  25           H        LYS  25  -3.840   7.226  -2.955
  157    HA   LYS  25           HA       LYS  25  -4.779   4.499  -3.443
  158    HB2  LYS  25           HB2      LYS  25  -4.062   6.753  -5.296
  159    HB3  LYS  25           HB3      LYS  25  -4.412   5.122  -5.845
  160    HG2  LYS  25           HG2      LYS  25  -6.647   5.270  -4.833
  161    HG3  LYS  25           HG3      LYS  25  -6.290   6.918  -4.309
  162    HD2  LYS  25           HD2      LYS  25  -5.970   7.618  -6.634
  163    HD3  LYS  25           HD3      LYS  25  -6.242   5.972  -7.188
  164    HE2  LYS  25           HE2      LYS  25  -8.545   6.060  -6.356
  165    HE3  LYS  25           HE3      LYS  25  -8.275   7.689  -5.749
  166    HZ1  LYS  25           HZ1      LYS  25  -7.820   8.395  -8.059
  167    HZ2  LYS  25           HZ2      LYS  25  -9.395   7.790  -7.869
  168    HZ3  LYS  25           HZ3      LYS  25  -8.199   6.834  -8.604
  169    H    ILE  26           H        ILE  26  -3.485   2.903  -4.092
  170    HA   ILE  26           HA       ILE  26  -0.567   3.380  -4.292
  171    HB   ILE  26           HB       ILE  26  -2.049   0.924  -3.266
  172   HG12  ILE  26          HG12      ILE  26  -0.425   1.471  -1.298
  173   HG13  ILE  26          HG13      ILE  26  -0.440   3.080  -1.970
  174   HG21  ILE  26          HG21      ILE  26   0.859   1.493  -3.861
  175   HG22  ILE  26          HG22      ILE  26  -0.142   0.181  -4.484
  176   HG23  ILE  26          HG23      ILE  26   0.357   0.183  -2.794
  177   HD11  ILE  26          HD11      ILE  26  -1.984   2.802  -0.066
  178   HD12  ILE  26          HD12      ILE  26  -2.882   1.595  -0.986
  179   HD13  ILE  26          HD13      ILE  26  -2.827   3.267  -1.544
  180    H    ILE  27           H        ILE  27   0.121   2.932  -6.297
  181    HA   ILE  27           HA       ILE  27  -1.697   1.528  -8.116
  182    HB   ILE  27           HB       ILE  27  -0.984   2.958  -9.881
  183   HG12  ILE  27          HG12      ILE  27   0.957   4.270  -7.988
  184   HG13  ILE  27          HG13      ILE  27   1.408   3.069  -9.190
  185   HG21  ILE  27          HG21      ILE  27  -1.352   4.739  -7.477
  186   HG22  ILE  27          HG22      ILE  27  -2.656   3.829  -8.239
  187   HG23  ILE  27          HG23      ILE  27  -1.802   5.075  -9.150
  188   HD11  ILE  27          HD11      ILE  27   1.749   5.481  -9.895
  189   HD12  ILE  27          HD12      ILE  27  -0.006   5.653  -9.892
  190   HD13  ILE  27          HD13      ILE  27   0.767   4.517 -10.997
  191    H    ASN  28           H        ASN  28  -0.658   0.611 -10.067
  192    HA   ASN  28           HA       ASN  28   0.602  -1.073 -10.936
  193    HB2  ASN  28           HB2      ASN  28   2.833   0.585  -9.790
  194    HB3  ASN  28           HB3      ASN  28   3.017  -0.691 -10.984
  195   HD21  ASN  28          HD21      ASN  28   3.301   2.437 -10.907
  196   HD22  ASN  28          HD22      ASN  28   2.545   2.932 -12.345
  197    H    ILE  29           H        ILE  29  -0.524  -1.971  -8.752
  198    HA   ILE  29           HA       ILE  29   1.332  -2.920  -6.812
  199    HB   ILE  29           HB       ILE  29  -1.499  -3.700  -7.454
  200   HG12  ILE  29          HG12      ILE  29  -0.336  -2.126  -5.173
  201   HG13  ILE  29          HG13      ILE  29  -0.911  -1.394  -6.654
  202   HG21  ILE  29          HG21      ILE  29  -1.441  -4.687  -5.101
  203   HG22  ILE  29          HG22      ILE  29   0.316  -4.653  -5.240
  204   HG23  ILE  29          HG23      ILE  29  -0.637  -5.623  -6.362
  205   HD11  ILE  29          HD11      ILE  29  -2.579  -1.195  -4.956
  206   HD12  ILE  29          HD12      ILE  29  -2.530  -2.930  -4.649
  207   HD13  ILE  29          HD13      ILE  29  -3.147  -2.324  -6.185
  208    H    GLU  30           H        GLU  30   2.506  -4.628  -6.752
  209    HA   GLU  30           HA       GLU  30   2.320  -6.642  -8.883
  210    HB2  GLU  30           HB2      GLU  30   4.381  -5.273  -9.009
  211    HB3  GLU  30           HB3      GLU  30   4.776  -5.724  -7.348
  212    HG2  GLU  30           HG2      GLU  30   4.813  -8.085  -7.985
  213    HG3  GLU  30           HG3      GLU  30   4.365  -7.673  -9.620
  214    H    PHE  31           H        PHE  31   1.989  -8.661  -8.265
  215    HA   PHE  31           HA       PHE  31   1.278  -9.185  -5.551
  216    HD1  PHE  31           HD2      PHE  31   0.269  -9.246  -9.336
  217    HD2  PHE  31           HD1      PHE  31  -1.438 -10.616  -5.710
  218    HE1  PHE  31           HE2      PHE  31  -1.903  -8.228  -9.971
  219    HE2  PHE  31           HE1      PHE  31  -3.573  -9.603  -6.335
  220    HZ   PHE  31           HZ       PHE  31  -3.818  -8.428  -8.457
  221    HB2  PHE  31           HB2      PHE  31   1.390 -10.948  -8.001
  222    HB3  PHE  31           HB3      PHE  31   0.730 -11.449  -6.456
  223    H    VAL  32           H        VAL  32   3.594  -8.583  -4.924
  224    HA   VAL  32           HA       VAL  32   5.684 -10.380  -5.349
  225    HB   VAL  32           HB       VAL  32   5.248  -8.480  -3.055
  226   HG11  VAL  32          HG11      VAL  32   6.740  -9.989  -2.132
  227   HG12  VAL  32          HG12      VAL  32   7.801  -8.766  -2.830
  228   HG13  VAL  32          HG13      VAL  32   7.544 -10.296  -3.671
  229   HG21  VAL  32          HG21      VAL  32   5.508  -7.253  -5.048
  230   HG22  VAL  32          HG22      VAL  32   6.790  -8.316  -5.630
  231   HG23  VAL  32          HG23      VAL  32   7.091  -7.232  -4.272
  232    H    ASP  33           H        ASP  33   3.389 -10.321  -2.649
  233    HA   ASP  33           HA       ASP  33   3.976 -13.147  -2.132
  234    HB2  ASP  33           HB2      ASP  33   5.329 -11.482  -0.643
  235    HB3  ASP  33           HB3      ASP  33   3.786 -11.170   0.134
  236    H    ASP  34           H        ASP  34   2.168 -14.054  -0.717
  237    HA   ASP  34           HA       ASP  34  -0.366 -13.348  -1.755
  238    HB2  ASP  34           HB2      ASP  34  -1.292 -14.887  -0.083
  239    HB3  ASP  34           HB3      ASP  34   0.073 -15.604  -0.921
  240    H    ASP  35           H        ASP  35   1.297 -12.515   1.227
  241    HA   ASP  35           HA       ASP  35  -1.029 -11.078   2.232
  242    HB2  ASP  35           HB2      ASP  35   0.325 -10.947   4.328
  243    HB3  ASP  35           HB3      ASP  35  -0.040 -12.578   3.784
  244    H    TRP  36           H        TRP  36   2.274 -10.414   1.290
  245    HA   TRP  36           HA       TRP  36   1.831  -7.538   1.776
  246    HD1  TRP  36           HD1      TRP  36   3.616 -10.180   4.156
  247    HE1  TRP  36           HE1      TRP  36   3.642  -9.024   6.464
  248    HE3  TRP  36           HE3      TRP  36   4.064  -5.331   2.654
  249    HZ2  TRP  36           HZ2      TRP  36   3.818  -6.413   7.509
  250    HZ3  TRP  36           HZ3      TRP  36   4.203  -3.575   4.365
  251    HH2  TRP  36           HH2      TRP  36   4.081  -4.105   6.742
  252    HB2  TRP  36           HB2      TRP  36   4.287  -9.273   1.702
  253    HB3  TRP  36           HB3      TRP  36   4.396  -7.536   1.484
  254    H    TRP  37           H        TRP  37   1.861  -6.214   0.050
  255    HA   TRP  37           HA       TRP  37   2.582  -7.333  -2.567
  256    HD1  TRP  37           HD1      TRP  37   1.423  -8.832  -3.298
  257    HE1  TRP  37           HE1      TRP  37  -0.657 -10.248  -3.862
  258    HE3  TRP  37           HE3      TRP  37  -2.211  -5.347  -2.475
  259    HZ2  TRP  37           HZ2      TRP  37  -3.410  -9.953  -3.940
  260    HZ3  TRP  37           HZ3      TRP  37  -4.567  -6.013  -2.841
  261    HH2  TRP  37           HH2      TRP  37  -5.139  -8.274  -3.566
  262    HB2  TRP  37           HB2      TRP  37   0.331  -5.524  -1.777
  263    HB3  TRP  37           HB3      TRP  37   0.992  -5.471  -3.399
  264    H    LEU  38           H        LEU  38   3.352  -5.739  -4.063
  265    HA   LEU  38           HA       LEU  38   4.927  -3.615  -2.753
  266    HG   LEU  38           HG       LEU  38   6.668  -3.009  -5.384
  267    HB2  LEU  38           HB2      LEU  38   6.136  -5.479  -3.810
  268    HB3  LEU  38           HB3      LEU  38   5.356  -5.110  -5.306
  269   HD11  LEU  38          HD11      LEU  38   8.263  -4.165  -3.114
  270   HD12  LEU  38          HD12      LEU  38   7.062  -2.888  -2.923
  271   HD13  LEU  38          HD13      LEU  38   8.490  -2.614  -3.921
  272   HD21  LEU  38          HD21      LEU  38   8.497  -5.360  -5.099
  273   HD22  LEU  38          HD22      LEU  38   8.640  -3.973  -6.181
  274   HD23  LEU  38          HD23      LEU  38   7.382  -5.179  -6.452
  275    H    GLY  39           H        GLY  39   4.334  -1.552  -3.387
  276    HA2  GLY  39           HA2      GLY  39   3.247  -1.202  -6.065
  277    HA3  GLY  39           HA3      GLY  39   2.212  -0.712  -4.731
  278    H    GLU  40           H        GLU  40   2.461   1.281  -6.019
  279    HA   GLU  40           HA       GLU  40   4.641   2.947  -4.947
  280    HB2  GLU  40           HB2      GLU  40   5.048   2.423  -7.303
  281    HB3  GLU  40           HB3      GLU  40   3.437   2.974  -7.713
  282    HG2  GLU  40           HG2      GLU  40   4.049   5.237  -6.969
  283    HG3  GLU  40           HG3      GLU  40   5.666   4.667  -6.604
  284    H    LEU  41           H        LEU  41   3.958   4.941  -4.165
  285    HA   LEU  41           HA       LEU  41   1.118   5.233  -3.811
  286    HG   LEU  41           HG       LEU  41   3.585   5.343  -1.725
  287    HB2  LEU  41           HB2      LEU  41   3.318   7.162  -3.178
  288    HB3  LEU  41           HB3      LEU  41   1.639   7.373  -2.748
  289   HD11  LEU  41          HD11      LEU  41   3.354   6.407   0.374
  290   HD12  LEU  41          HD12      LEU  41   1.972   7.355  -0.172
  291   HD13  LEU  41          HD13      LEU  41   3.580   7.691  -0.813
  292   HD21  LEU  41          HD21      LEU  41   1.528   4.182  -1.991
  293   HD22  LEU  41          HD22      LEU  41   0.642   5.491  -1.206
  294   HD23  LEU  41          HD23      LEU  41   1.790   4.522  -0.282
  295    H    GLU  42           H        GLU  42  -0.316   6.401  -4.916
  296    HA   GLU  42           HA       GLU  42   0.266   7.592  -7.414
  297    HB2  GLU  42           HB2      GLU  42  -1.997   6.913  -6.789
  298    HB3  GLU  42           HB3      GLU  42  -2.000   8.051  -5.454
  299    HG2  GLU  42           HG2      GLU  42  -1.584   9.820  -7.296
  300    HG3  GLU  42           HG3      GLU  42  -2.147   8.578  -8.391
  301    H    LYS  43           H        LYS  43   0.103   8.913  -4.091
  302    HA   LYS  43           HA       LYS  43   0.061  11.548  -5.080
  303    HB2  LYS  43           HB2      LYS  43   0.091  12.317  -2.853
  304    HB3  LYS  43           HB3      LYS  43  -0.905  10.878  -2.937
  305    HG2  LYS  43           HG2      LYS  43   1.095   9.596  -2.115
  306    HG3  LYS  43           HG3      LYS  43   1.858  11.154  -1.809
  307    HD2  LYS  43           HD2      LYS  43  -0.091  11.782  -0.378
  308    HD3  LYS  43           HD3      LYS  43  -0.756  10.177  -0.621
  309    HE2  LYS  43           HE2      LYS  43   1.193   9.203   0.462
  310    HE3  LYS  43           HE3      LYS  43   1.878  10.813   0.684
  311    HZ1  LYS  43           HZ1      LYS  43   0.800  10.279   2.678
  312    HZ2  LYS  43           HZ2      LYS  43  -0.584   9.700   1.883
  313    HZ3  LYS  43           HZ3      LYS  43  -0.235  11.363   1.885
  314    H    ASP  44           H        ASP  44   2.843   9.587  -4.440
  315    HA   ASP  44           HA       ASP  44   4.458  11.938  -5.024
  316    HB2  ASP  44           HB2      ASP  44   5.935  11.648  -3.153
  317    HB3  ASP  44           HB3      ASP  44   4.291  11.928  -2.623
  318    H    GLY  45           H        GLY  45   4.019   8.758  -5.831
  319    HA2  GLY  45           HA2      GLY  45   5.315   7.532  -7.299
  320    HA3  GLY  45           HA3      GLY  45   6.522   8.797  -7.229
  321    H    SER  46           H        SER  46   5.971   7.840  -4.053
  322    HA   SER  46           HA       SER  46   8.485   6.445  -3.951
  323    HG   SER  46           HG       SER  46   5.630   7.490  -1.897
  324    HB2  SER  46           HB2      SER  46   8.010   6.087  -1.584
  325    HB3  SER  46           HB3      SER  46   7.782   7.761  -2.039
  326    H    LYS  47           H        LYS  47   8.822   4.233  -3.426
  327    HA   LYS  47           HA       LYS  47   6.545   2.457  -4.057
  328    HB2  LYS  47           HB2      LYS  47   9.399   2.203  -5.026
  329    HB3  LYS  47           HB3      LYS  47   8.131   1.016  -5.282
  330    HG2  LYS  47           HG2      LYS  47   6.849   2.819  -6.471
  331    HG3  LYS  47           HG3      LYS  47   8.300   3.803  -6.380
  332    HD2  LYS  47           HD2      LYS  47   9.513   1.993  -7.596
  333    HD3  LYS  47           HD3      LYS  47   7.967   1.173  -7.804
  334    HE2  LYS  47           HE2      LYS  47   7.159   3.424  -8.778
  335    HE3  LYS  47           HE3      LYS  47   8.861   3.813  -8.918
  336    HZ1  LYS  47           HZ1      LYS  47   9.021   2.593 -10.747
  337    HZ2  LYS  47           HZ2      LYS  47   7.328   2.472 -10.742
  338    HZ3  LYS  47           HZ3      LYS  47   8.271   1.252 -10.029
  339    H    GLY  48           H        GLY  48   6.621   0.410  -3.065
  340    HA2  GLY  48           HA2      GLY  48   8.656  -0.720  -1.646
  341    HA3  GLY  48           HA3      GLY  48   7.934   0.416  -0.519
  342    H    LEU  49           H        LEU  49   7.927  -2.011   0.272
  343    HA   LEU  49           HA       LEU  49   5.730  -3.639  -0.480
  344    HG   LEU  49           HG       LEU  49   8.670  -4.266  -0.032
  345    HB2  LEU  49           HB2      LEU  49   7.453  -3.540   1.984
  346    HB3  LEU  49           HB3      LEU  49   6.248  -4.770   1.688
  347   HD11  LEU  49          HD11      LEU  49   9.407  -6.435   0.986
  348   HD12  LEU  49          HD12      LEU  49   8.092  -6.251   2.147
  349   HD13  LEU  49          HD13      LEU  49   9.389  -5.057   2.086
  350   HD21  LEU  49          HD21      LEU  49   6.488  -6.354  -0.048
  351   HD22  LEU  49          HD22      LEU  49   8.034  -6.586  -0.866
  352   HD23  LEU  49          HD23      LEU  49   6.966  -5.273  -1.357
  353    H    PHE  50           H        PHE  50   3.715  -3.764   0.332
  354    HA   PHE  50           HA       PHE  50   3.052  -2.187   2.700
  355    HD1  PHE  50           HD2      PHE  50  -0.560  -2.754   0.966
  356    HD2  PHE  50           HD1      PHE  50   2.655  -1.666  -1.583
  357    HE1  PHE  50           HE2      PHE  50  -1.740  -3.710  -0.935
  358    HE2  PHE  50           HE1      PHE  50   1.458  -2.649  -3.485
  359    HZ   PHE  50           HZ       PHE  50  -0.755  -3.660  -3.166
  360    HB2  PHE  50           HB2      PHE  50   1.128  -1.175   1.712
  361    HB3  PHE  50           HB3      PHE  50   2.512  -0.791   0.707
  362    HA   PRO  51           HA       PRO  51   0.964  -5.940   3.468
  363    HB2  PRO  51           HB2      PRO  51  -0.711  -5.218   5.503
  364    HB3  PRO  51           HB3      PRO  51   1.039  -5.370   5.725
  365    HG2  PRO  51           HG2      PRO  51  -0.627  -2.942   5.402
  366    HG3  PRO  51           HG3      PRO  51   0.803  -3.213   6.416
  367    HD2  PRO  51           HD2      PRO  51   0.832  -1.901   4.005
  368    HD3  PRO  51           HD3      PRO  51   2.241  -2.714   4.740
  369    H    SER  52           H        SER  52  -0.589  -6.850   2.268
  370    HA   SER  52           HA       SER  52  -2.379  -5.398   0.746
  371    HG   SER  52           HG       SER  52  -1.111  -6.902  -0.413
  372    HB2  SER  52           HB2      SER  52  -2.610  -8.296   1.509
  373    HB3  SER  52           HB3      SER  52  -3.340  -7.514   0.109
  374    H    ASN  53           H        ASN  53  -3.031  -6.929   3.902
  375    HA   ASN  53           HA       ASN  53  -5.813  -6.622   3.714
  376    HB2  ASN  53           HB2      ASN  53  -5.917  -7.075   6.086
  377    HB3  ASN  53           HB3      ASN  53  -4.733  -8.135   5.336
  378   HD21  ASN  53          HD21      ASN  53  -2.339  -7.479   5.624
  379   HD22  ASN  53          HD22      ASN  53  -1.876  -6.683   7.050
  380    H    TYR  54           H        TYR  54  -3.581  -4.098   3.869
  381    HA   TYR  54           HA       TYR  54  -5.437  -2.388   5.346
  382    HD1  TYR  54           HD2      TYR  54  -2.533  -4.036   5.915
  383    HD2  TYR  54           HD1      TYR  54  -3.492  -0.146   7.309
  384    HE1  TYR  54           HE2      TYR  54  -1.831  -4.666   8.171
  385    HE2  TYR  54           HE1      TYR  54  -2.798  -0.782   9.575
  386    HH   TYR  54           HH       TYR  54  -0.901  -3.228  10.255
  387    HB2  TYR  54           HB2      TYR  54  -2.638  -1.866   4.388
  388    HB3  TYR  54           HB3      TYR  54  -3.675  -0.606   5.033
  389    H    VAL  55           H        VAL  55  -5.233  -3.332   2.194
  390    HA   VAL  55           HA       VAL  55  -6.497  -0.823   1.314
  391    HB   VAL  55           HB       VAL  55  -5.376  -0.995  -0.893
  392   HG11  VAL  55          HG11      VAL  55  -2.958  -0.517   0.061
  393   HG12  VAL  55          HG12      VAL  55  -3.824  -0.508   1.598
  394   HG13  VAL  55          HG13      VAL  55  -4.290   0.610   0.317
  395   HG21  VAL  55          HG21      VAL  55  -3.402  -2.402  -1.146
  396   HG22  VAL  55          HG22      VAL  55  -4.857  -3.359  -0.867
  397   HG23  VAL  55          HG23      VAL  55  -3.703  -3.105   0.443
  398    H    SER  56           H        SER  56  -7.690  -1.035  -0.673
  399    HA   SER  56           HA       SER  56  -8.776  -3.713  -1.212
  400    HG   SER  56           HG       SER  56 -11.181  -3.561  -1.795
  401    HB2  SER  56           HB2      SER  56 -10.429  -2.680   0.167
  402    HB3  SER  56           HB3      SER  56 -10.256  -1.140  -0.665
  403    H    LEU  57           H        LEU  57  -8.739  -4.121  -3.420
  404    HA   LEU  57           HA       LEU  57  -7.511  -2.309  -5.168
  405    HG   LEU  57           HG       LEU  57  -7.604  -5.579  -4.723
  406    HB2  LEU  57           HB2      LEU  57  -9.326  -4.564  -5.960
  407    HB3  LEU  57           HB3      LEU  57  -8.203  -3.728  -7.007
  408   HD11  LEU  57          HD11      LEU  57  -6.847  -5.606  -7.649
  409   HD12  LEU  57          HD12      LEU  57  -8.148  -6.547  -6.918
  410   HD13  LEU  57          HD13      LEU  57  -6.471  -6.856  -6.465
  411   HD21  LEU  57          HD21      LEU  57  -5.190  -5.207  -5.454
  412   HD22  LEU  57          HD22      LEU  57  -5.931  -3.985  -4.421
  413   HD23  LEU  57          HD23      LEU  57  -5.769  -3.697  -6.153
  414    H    GLY  58           H        GLY  58  -8.181  -0.893  -6.675
  415    HA2  GLY  58           HA2      GLY  58  -9.560   0.530  -7.838
  416    HA3  GLY  58           HA3      GLY  58 -10.900  -0.531  -7.439
  417    H    ASN  59           H        ASN  59 -12.034   1.515  -7.345
  418    HA   ASN  59           HA       ASN  59 -11.474   3.333  -5.187
  419    HB2  ASN  59           HB2      ASN  59 -12.934   3.446  -7.637
  420    HB3  ASN  59           HB3      ASN  59 -14.034   3.862  -6.332
  421   HD21  ASN  59          HD21      ASN  59 -12.874   5.512  -8.488
  422   HD22  ASN  59          HD22      ASN  59 -12.087   6.808  -7.725
  Start of MODEL   10
    1    H    ALA   1           H        ALA   1  -1.156  -4.024 -14.292
    2    HA   ALA   1           HA       ALA   1  -1.086  -5.186 -11.576
    3    HB1  ALA   1           HB1      ALA   1   0.452  -3.383 -10.988
    4    HB2  ALA   1           HB2      ALA   1   0.472  -2.840 -12.666
    5    HB3  ALA   1           HB3      ALA   1   1.148  -4.413 -12.240
    6    HA   PRO   2           HA       PRO   2  -4.679  -2.395 -11.450
    7    HB2  PRO   2           HB2      PRO   2  -5.710  -3.416  -9.195
    8    HB3  PRO   2           HB3      PRO   2  -5.687  -4.406 -10.671
    9    HG2  PRO   2           HG2      PRO   2  -3.842  -4.452  -8.337
   10    HG3  PRO   2           HG3      PRO   2  -4.597  -5.802  -9.207
   11    HD2  PRO   2           HD2      PRO   2  -2.042  -4.920  -9.681
   12    HD3  PRO   2           HD3      PRO   2  -3.040  -5.771 -10.875
   13    H    TRP   3           H        TRP   3  -5.462  -0.946  -9.695
   14    HA   TRP   3           HA       TRP   3  -3.394  -0.132  -7.778
   15    HD1  TRP   3           HD1      TRP   3  -5.381   1.456 -11.435
   16    HE1  TRP   3           HE1      TRP   3  -7.733   2.439 -11.765
   17    HE3  TRP   3           HE3      TRP   3  -6.481   2.662  -6.605
   18    HZ2  TRP   3           HZ2      TRP   3  -9.790   3.528 -10.226
   19    HZ3  TRP   3           HZ3      TRP   3  -8.666   3.683  -6.131
   20    HH2  TRP   3           HH2      TRP   3 -10.282   4.105  -7.911
   21    HB2  TRP   3           HB2      TRP   3  -4.283   2.133  -7.839
   22    HB3  TRP   3           HB3      TRP   3  -3.642   1.635  -9.386
   23    H    ALA   4           H        ALA   4  -4.341   0.895  -5.843
   24    HA   ALA   4           HA       ALA   4  -6.957  -0.165  -5.071
   25    HB1  ALA   4           HB1      ALA   4  -5.116  -1.815  -4.530
   26    HB2  ALA   4           HB2      ALA   4  -6.069  -1.276  -3.147
   27    HB3  ALA   4           HB3      ALA   4  -4.462  -0.605  -3.426
   28    H    THR   5           H        THR   5  -7.623   0.617  -2.965
   29    HA   THR   5           HA       THR   5  -6.626   3.332  -2.353
   30    HB   THR   5           HB       THR   5  -8.991   3.704  -1.454
   31    HG1  THR   5           HG1      THR   5  -9.432   1.340  -2.985
   32   HG21  THR   5          HG21      THR   5  -8.371   4.615  -3.631
   33   HG22  THR   5          HG22      THR   5 -10.016   3.985  -3.690
   34   HG23  THR   5          HG23      THR   5  -8.690   3.057  -4.393
   35    H    ALA   6           H        ALA   6  -5.947   3.632  -0.293
   36    HA   ALA   6           HA       ALA   6  -5.613   1.408   1.443
   37    HB1  ALA   6           HB1      ALA   6  -4.905   3.184   3.080
   38    HB2  ALA   6           HB2      ALA   6  -5.320   4.383   1.854
   39    HB3  ALA   6           HB3      ALA   6  -4.040   3.209   1.543
   40    H    GLU   7           H        GLU   7  -6.756   0.729   3.140
   41    HA   GLU   7           HA       GLU   7  -9.393   1.981   3.587
   42    HB2  GLU   7           HB2      GLU   7  -8.310  -0.725   4.329
   43    HB3  GLU   7           HB3      GLU   7  -9.921  -0.152   4.709
   44    HG2  GLU   7           HG2      GLU   7  -8.796  -0.549   1.940
   45    HG3  GLU   7           HG3      GLU   7  -9.904  -1.634   2.766
   46    H    TYR   8           H        TYR   8  -6.354   1.234   5.138
   47    HA   TYR   8           HA       TYR   8  -7.224   2.636   7.581
   48    HD1  TYR   8           HD1      TYR   8  -7.379  -1.151   6.348
   49    HD2  TYR   8           HD2      TYR   8  -8.223   0.799  10.032
   50    HE1  TYR   8           HE1      TYR   8  -9.408  -2.509   6.571
   51    HE2  TYR   8           HE2      TYR   8 -10.277  -0.588  10.273
   52    HH   TYR   8           HH       TYR   8 -11.831  -1.818   8.772
   53    HB2  TYR   8           HB2      TYR   8  -5.644   0.042   7.535
   54    HB3  TYR   8           HB3      TYR   8  -6.014   0.988   8.964
   55    H    ASP   9           H        ASP   9  -5.394   3.593   8.677
   56    HA   ASP   9           HA       ASP   9  -3.340   4.576   6.920
   57    HB2  ASP   9           HB2      ASP   9  -4.156   5.895   8.888
   58    HB3  ASP   9           HB3      ASP   9  -3.505   4.669   9.950
   59    H    TYR  10           H        TYR  10  -1.276   3.745   6.694
   60    HA   TYR  10           HA       TYR  10  -0.389   1.667   8.571
   61    HD1  TYR  10           HD2      TYR  10   0.383  -0.839   8.475
   62    HD2  TYR  10           HD1      TYR  10   2.156   1.075   5.128
   63    HE1  TYR  10           HE2      TYR  10   2.388  -2.235   8.722
   64    HE2  TYR  10           HE1      TYR  10   4.139  -0.322   5.360
   65    HH   TYR  10           HH       TYR  10   5.196  -1.732   6.613
   66    HB2  TYR  10           HB2      TYR  10  -0.994   0.380   6.594
   67    HB3  TYR  10           HB3      TYR  10  -0.089   1.483   5.560
   68    H    ASP  11           H        ASP  11   1.399   2.245   9.457
   69    HA   ASP  11           HA       ASP  11   3.025   4.365   8.216
   70    HB2  ASP  11           HB2      ASP  11   2.830   3.317  11.035
   71    HB3  ASP  11           HB3      ASP  11   4.076   4.435  10.514
   72    H    ALA  12           H        ALA  12   4.878   3.726   7.213
   73    HA   ALA  12           HA       ALA  12   5.813   1.059   7.301
   74    HB1  ALA  12           HB1      ALA  12   6.374   2.611   5.489
   75    HB2  ALA  12           HB2      ALA  12   7.821   1.918   6.222
   76    HB3  ALA  12           HB3      ALA  12   7.336   3.568   6.615
   77    H    ALA  13           H        ALA  13   7.232   0.051   8.538
   78    HA   ALA  13           HA       ALA  13   8.456   1.513  10.783
   79    HB1  ALA  13           HB1      ALA  13   6.823  -0.314  11.389
   80    HB2  ALA  13           HB2      ALA  13   8.444  -0.517  12.054
   81    HB3  ALA  13           HB3      ALA  13   7.941  -1.462  10.654
   82    H    GLU  14           H        GLU  14   9.127   0.257   7.800
   83    HA   GLU  14           HA       GLU  14  11.963  -0.129   8.493
   84    HB2  GLU  14           HB2      GLU  14  10.335  -1.921   6.679
   85    HB3  GLU  14           HB3      GLU  14  12.081  -1.919   6.737
   86    HG2  GLU  14           HG2      GLU  14  12.017  -2.678   9.031
   87    HG3  GLU  14           HG3      GLU  14  10.267  -2.595   9.031
   88    H    ASP  15           H        ASP  15  13.350   0.113   6.528
   89    HA   ASP  15           HA       ASP  15  12.689   2.436   5.108
   90    HB2  ASP  15           HB2      ASP  15  14.872   0.433   4.913
   91    HB3  ASP  15           HB3      ASP  15  14.659   1.587   3.606
   92    H    ASN  16           H        ASN  16  12.380  -0.957   4.187
   93    HA   ASN  16           HA       ASN  16  11.699  -0.238   1.471
   94    HB2  ASN  16           HB2      ASN  16  11.563  -2.592   1.009
   95    HB3  ASN  16           HB3      ASN  16  13.025  -2.248   1.914
   96   HD21  ASN  16          HD21      ASN  16  11.928  -4.815   1.698
   97   HD22  ASN  16          HD22      ASN  16  11.271  -5.304   3.187
   98    H    GLU  17           H        GLU  17   9.875  -0.042   4.172
   99    HA   GLU  17           HA       GLU  17   7.409  -1.041   2.949
  100    HB2  GLU  17           HB2      GLU  17   8.036   0.002   5.709
  101    HB3  GLU  17           HB3      GLU  17   6.433  -0.498   5.184
  102    HG2  GLU  17           HG2      GLU  17   8.876  -2.252   5.158
  103    HG3  GLU  17           HG3      GLU  17   7.678  -2.237   6.437
  104    H    LEU  18           H        LEU  18   5.711   0.196   2.385
  105    HA   LEU  18           HA       LEU  18   6.137   3.033   1.886
  106    HG   LEU  18           HG       LEU  18   5.606   0.874  -0.185
  107    HB2  LEU  18           HB2      LEU  18   3.783   1.202   1.478
  108    HB3  LEU  18           HB3      LEU  18   3.768   2.898   1.080
  109   HD11  LEU  18          HD11      LEU  18   3.026   2.053  -1.237
  110   HD12  LEU  18          HD12      LEU  18   3.273   0.372  -0.761
  111   HD13  LEU  18          HD13      LEU  18   4.138   1.033  -2.148
  112   HD21  LEU  18          HD21      LEU  18   5.767   2.722  -1.867
  113   HD22  LEU  18          HD22      LEU  18   6.494   3.055  -0.292
  114   HD23  LEU  18          HD23      LEU  18   4.924   3.744  -0.705
  115    H    THR  19           H        THR  19   4.920   4.624   2.747
  116    HA   THR  19           HA       THR  19   3.432   4.152   5.249
  117    HB   THR  19           HB       THR  19   5.100   6.588   4.498
  118    HG1  THR  19           HG1      THR  19   6.231   4.634   5.168
  119   HG21  THR  19          HG21      THR  19   3.062   7.011   5.961
  120   HG22  THR  19          HG22      THR  19   4.608   7.446   6.689
  121   HG23  THR  19          HG23      THR  19   3.801   5.948   7.160
  122    H    PHE  20           H        PHE  20   1.332   4.799   5.026
  123    HA   PHE  20           HA       PHE  20   0.657   6.979   3.279
  124    HD1  PHE  20           HD1      PHE  20  -2.281   4.058   3.537
  125    HD2  PHE  20           HD2      PHE  20   1.407   3.114   1.636
  126    HE1  PHE  20           HE1      PHE  20  -2.768   1.667   3.772
  127    HE2  PHE  20           HE2      PHE  20   0.924   0.720   1.899
  128    HZ   PHE  20           HZ       PHE  20  -1.159   0.000   2.971
  129    HB2  PHE  20           HB2      PHE  20  -0.985   5.689   1.960
  130    HB3  PHE  20           HB3      PHE  20   0.685   5.306   1.609
  131    H    VAL  21           H        VAL  21  -1.775   7.335   3.302
  132    HA   VAL  21           HA       VAL  21  -2.843   6.547   5.928
  133    HB   VAL  21           HB       VAL  21  -4.062   8.709   6.003
  134   HG11  VAL  21          HG11      VAL  21  -1.056   8.933   5.879
  135   HG12  VAL  21          HG12      VAL  21  -2.000   8.365   7.256
  136   HG13  VAL  21          HG13      VAL  21  -2.142  10.039   6.719
  137   HG21  VAL  21          HG21      VAL  21  -2.219   9.579   3.787
  138   HG22  VAL  21          HG22      VAL  21  -3.493  10.520   4.563
  139   HG23  VAL  21          HG23      VAL  21  -3.909   9.143   3.545
  140    H    GLU  22           H        GLU  22  -5.179   6.561   6.047
  141    HA   GLU  22           HA       GLU  22  -6.506   4.981   4.243
  142    HB2  GLU  22           HB2      GLU  22  -7.250   5.706   6.575
  143    HB3  GLU  22           HB3      GLU  22  -7.784   7.214   5.848
  144    HG2  GLU  22           HG2      GLU  22  -9.255   5.885   4.322
  145    HG3  GLU  22           HG3      GLU  22  -8.788   4.438   5.190
  146    H    ASN  23           H        ASN  23  -7.527   5.318   2.392
  147    HA   ASN  23           HA       ASN  23  -8.431   6.204   0.596
  148    HB2  ASN  23           HB2      ASN  23  -8.281   8.798   2.025
  149    HB3  ASN  23           HB3      ASN  23  -8.925   8.615   0.399
  150   HD21  ASN  23          HD21      ASN  23 -10.106   9.239   3.142
  151   HD22  ASN  23          HD22      ASN  23 -11.433   8.189   3.270
  152    H    ASP  24           H        ASP  24  -5.273   6.803   1.395
  153    HA   ASP  24           HA       ASP  24  -4.522   8.181  -1.028
  154    HB2  ASP  24           HB2      ASP  24  -3.026   6.348   0.844
  155    HB3  ASP  24           HB3      ASP  24  -2.305   6.985  -0.619
  156    H    LYS  25           H        LYS  25  -3.839   7.226  -2.956
  157    HA   LYS  25           HA       LYS  25  -4.780   4.500  -3.443
  158    HB2  LYS  25           HB2      LYS  25  -4.062   6.753  -5.296
  159    HB3  LYS  25           HB3      LYS  25  -4.412   5.122  -5.844
  160    HG2  LYS  25           HG2      LYS  25  -6.647   5.270  -4.832
  161    HG3  LYS  25           HG3      LYS  25  -6.291   6.918  -4.309
  162    HD2  LYS  25           HD2      LYS  25  -5.971   7.617  -6.635
  163    HD3  LYS  25           HD3      LYS  25  -6.242   5.972  -7.188
  164    HE2  LYS  25           HE2      LYS  25  -8.545   6.060  -6.356
  165    HE3  LYS  25           HE3      LYS  25  -8.275   7.689  -5.750
  166    HZ1  LYS  25           HZ1      LYS  25  -7.819   8.395  -8.059
  167    HZ2  LYS  25           HZ2      LYS  25  -9.395   7.790  -7.868
  168    HZ3  LYS  25           HZ3      LYS  25  -8.199   6.833  -8.604
  169    H    ILE  26           H        ILE  26  -3.485   2.903  -4.092
  170    HA   ILE  26           HA       ILE  26  -0.567   3.380  -4.292
  171    HB   ILE  26           HB       ILE  26  -2.048   0.923  -3.266
  172   HG12  ILE  26          HG12      ILE  26  -0.425   1.471  -1.298
  173   HG13  ILE  26          HG13      ILE  26  -0.440   3.080  -1.970
  174   HG21  ILE  26          HG21      ILE  26   0.859   1.494  -3.862
  175   HG22  ILE  26          HG22      ILE  26  -0.142   0.181  -4.484
  176   HG23  ILE  26          HG23      ILE  26   0.357   0.183  -2.793
  177   HD11  ILE  26          HD11      ILE  26  -1.984   2.802  -0.067
  178   HD12  ILE  26          HD12      ILE  26  -2.882   1.594  -0.986
  179   HD13  ILE  26          HD13      ILE  26  -2.826   3.267  -1.543
  180    H    ILE  27           H        ILE  27   0.121   2.932  -6.297
  181    HA   ILE  27           HA       ILE  27  -1.697   1.528  -8.115
  182    HB   ILE  27           HB       ILE  27  -0.985   2.957  -9.881
  183   HG12  ILE  27          HG12      ILE  27   0.957   4.270  -7.988
  184   HG13  ILE  27          HG13      ILE  27   1.408   3.069  -9.190
  185   HG21  ILE  27          HG21      ILE  27  -1.353   4.739  -7.478
  186   HG22  ILE  27          HG22      ILE  27  -2.657   3.829  -8.240
  187   HG23  ILE  27          HG23      ILE  27  -1.802   5.075  -9.149
  188   HD11  ILE  27          HD11      ILE  27   1.749   5.481  -9.895
  189   HD12  ILE  27          HD12      ILE  27  -0.006   5.653  -9.892
  190   HD13  ILE  27          HD13      ILE  27   0.767   4.517 -10.998
  191    H    ASN  28           H        ASN  28  -0.658   0.611 -10.067
  192    HA   ASN  28           HA       ASN  28   0.602  -1.074 -10.936
  193    HB2  ASN  28           HB2      ASN  28   2.833   0.585  -9.791
  194    HB3  ASN  28           HB3      ASN  28   3.018  -0.692 -10.984
  195   HD21  ASN  28          HD21      ASN  28   3.300   2.438 -10.908
  196   HD22  ASN  28          HD22      ASN  28   2.545   2.932 -12.345
  197    H    ILE  29           H        ILE  29  -0.524  -1.965  -8.746
  198    HA   ILE  29           HA       ILE  29   1.349  -2.947  -6.831
  199    HB   ILE  29           HB       ILE  29  -1.506  -3.672  -7.432
  200   HG12  ILE  29          HG12      ILE  29  -0.277  -2.147  -5.153
  201   HG13  ILE  29          HG13      ILE  29  -0.858  -1.386  -6.618
  202   HG21  ILE  29          HG21      ILE  29  -0.653  -5.622  -6.378
  203   HG22  ILE  29          HG22      ILE  29  -1.430  -4.692  -5.097
  204   HG23  ILE  29          HG23      ILE  29   0.326  -4.679  -5.255
  205   HD11  ILE  29          HD11      ILE  29  -2.530  -2.995  -4.711
  206   HD12  ILE  29          HD12      ILE  29  -3.103  -2.135  -6.141
  207   HD13  ILE  29          HD13      ILE  29  -2.446  -1.234  -4.772
  208    H    GLU  30           H        GLU  30   2.492  -4.675  -6.799
  209    HA   GLU  30           HA       GLU  30   2.243  -6.669  -8.944
  210    HB2  GLU  30           HB2      GLU  30   4.703  -5.656  -7.480
  211    HB3  GLU  30           HB3      GLU  30   4.705  -7.042  -8.574
  212    HG2  GLU  30           HG2      GLU  30   3.920  -5.662 -10.400
  213    HG3  GLU  30           HG3      GLU  30   3.726  -4.292  -9.340
  214    H    PHE  31           H        PHE  31   1.911  -8.696  -8.338
  215    HA   PHE  31           HA       PHE  31   1.209  -9.233  -5.629
  216    HD1  PHE  31           HD2      PHE  31  -1.376 -10.677  -5.659
  217    HD2  PHE  31           HD1      PHE  31   0.007  -9.345  -9.432
  218    HE1  PHE  31           HE2      PHE  31  -3.627  -9.762  -6.163
  219    HE2  PHE  31           HE1      PHE  31  -2.214  -8.453  -9.929
  220    HZ   PHE  31           HZ       PHE  31  -4.021  -8.642  -8.306
  221    HB2  PHE  31           HB2      PHE  31   1.299 -10.946  -8.113
  222    HB3  PHE  31           HB3      PHE  31   0.705 -11.519  -6.563
  223    H    VAL  32           H        VAL  32   3.534  -8.627  -5.015
  224    HA   VAL  32           HA       VAL  32   5.613 -10.438  -5.442
  225    HB   VAL  32           HB       VAL  32   5.230  -8.559  -3.118
  226   HG11  VAL  32          HG11      VAL  32   7.791  -8.775  -3.026
  227   HG12  VAL  32          HG12      VAL  32   7.549 -10.275  -3.924
  228   HG13  VAL  32          HG13      VAL  32   6.811 -10.069  -2.336
  229   HG21  VAL  32          HG21      VAL  32   7.068  -7.320  -4.471
  230   HG22  VAL  32          HG22      VAL  32   5.382  -7.189  -4.969
  231   HG23  VAL  32          HG23      VAL  32   6.472  -8.282  -5.822
  232    H    ASP  33           H        ASP  33   3.338 -10.336  -2.725
  233    HA   ASP  33           HA       ASP  33   3.920 -13.157  -2.176
  234    HB2  ASP  33           HB2      ASP  33   5.384 -11.915  -0.666
  235    HB3  ASP  33           HB3      ASP  33   4.048 -10.893  -0.163
  236    H    ASP  34           H        ASP  34   2.116 -14.053  -0.765
  237    HA   ASP  34           HA       ASP  34  -0.423 -13.328  -1.780
  238    HB2  ASP  34           HB2      ASP  34   0.499 -15.125   0.439
  239    HB3  ASP  34           HB3      ASP  34  -1.205 -14.734   0.291
  240    H    ASP  35           H        ASP  35   1.229 -12.596   1.248
  241    HA   ASP  35           HA       ASP  35  -1.077 -11.197   2.306
  242    HB2  ASP  35           HB2      ASP  35   1.618 -11.646   3.575
  243    HB3  ASP  35           HB3      ASP  35   0.138 -11.150   4.382
  244    H    TRP  36           H        TRP  36   2.232 -10.389   1.424
  245    HA   TRP  36           HA       TRP  36   1.599  -7.529   1.783
  246    HD1  TRP  36           HD1      TRP  36   3.193 -10.218   4.161
  247    HE1  TRP  36           HE1      TRP  36   3.035  -9.256   6.551
  248    HE3  TRP  36           HE3      TRP  36   3.829  -5.274   3.111
  249    HZ2  TRP  36           HZ2      TRP  36   3.152  -6.744   7.821
  250    HZ3  TRP  36           HZ3      TRP  36   3.840  -3.667   4.969
  251    HH2  TRP  36           HH2      TRP  36   3.507  -4.386   7.275
  252    HB2  TRP  36           HB2      TRP  36   4.198  -9.061   1.863
  253    HB3  TRP  36           HB3      TRP  36   4.121  -7.312   1.781
  254    H    TRP  37           H        TRP  37   1.800  -6.226   0.035
  255    HA   TRP  37           HA       TRP  37   2.743  -7.407  -2.481
  256    HD1  TRP  37           HD1      TRP  37   1.599  -8.969  -3.402
  257    HE1  TRP  37           HE1      TRP  37  -0.452 -10.487  -3.770
  258    HE3  TRP  37           HE3      TRP  37  -2.113  -5.637  -2.331
  259    HZ2  TRP  37           HZ2      TRP  37  -3.212 -10.319  -3.625
  260    HZ3  TRP  37           HZ3      TRP  37  -4.457  -6.415  -2.490
  261    HH2  TRP  37           HH2      TRP  37  -4.982  -8.713  -3.134
  262    HB2  TRP  37           HB2      TRP  37   0.400  -5.596  -1.981
  263    HB3  TRP  37           HB3      TRP  37   1.156  -5.728  -3.556
  264    H    LEU  38           H        LEU  38   3.522  -5.796  -3.982
  265    HA   LEU  38           HA       LEU  38   4.960  -3.610  -2.617
  266    HG   LEU  38           HG       LEU  38   6.692  -2.906  -5.241
  267    HB2  LEU  38           HB2      LEU  38   6.271  -5.395  -3.664
  268    HB3  LEU  38           HB3      LEU  38   5.488  -5.077  -5.170
  269   HD11  LEU  38          HD11      LEU  38   7.099  -3.114  -2.641
  270   HD12  LEU  38          HD12      LEU  38   8.193  -2.216  -3.695
  271   HD13  LEU  38          HD13      LEU  38   8.603  -3.856  -3.189
  272   HD21  LEU  38          HD21      LEU  38   8.847  -3.817  -5.849
  273   HD22  LEU  38          HD22      LEU  38   7.540  -4.845  -6.439
  274   HD23  LEU  38          HD23      LEU  38   8.462  -5.321  -5.013
  275    H    GLY  39           H        GLY  39   4.437  -1.539  -3.315
  276    HA2  GLY  39           HA2      GLY  39   3.298  -1.219  -5.970
  277    HA3  GLY  39           HA3      GLY  39   2.267  -0.735  -4.631
  278    H    GLU  40           H        GLU  40   2.492   1.249  -5.948
  279    HA   GLU  40           HA       GLU  40   4.651   2.953  -4.896
  280    HB2  GLU  40           HB2      GLU  40   5.076   2.380  -7.242
  281    HB3  GLU  40           HB3      GLU  40   3.470   2.928  -7.674
  282    HG2  GLU  40           HG2      GLU  40   4.090   5.200  -6.943
  283    HG3  GLU  40           HG3      GLU  40   5.707   4.625  -6.587
  284    H    LEU  41           H        LEU  41   3.957   4.941  -4.166
  285    HA   LEU  41           HA       LEU  41   1.119   5.232  -3.811
  286    HG   LEU  41           HG       LEU  41   3.585   5.344  -1.726
  287    HB2  LEU  41           HB2      LEU  41   3.318   7.162  -3.179
  288    HB3  LEU  41           HB3      LEU  41   1.639   7.374  -2.747
  289   HD11  LEU  41          HD11      LEU  41   3.354   6.406   0.374
  290   HD12  LEU  41          HD12      LEU  41   1.972   7.356  -0.172
  291   HD13  LEU  41          HD13      LEU  41   3.580   7.692  -0.812
  292   HD21  LEU  41          HD21      LEU  41   1.527   4.182  -1.991
  293   HD22  LEU  41          HD22      LEU  41   0.642   5.490  -1.206
  294   HD23  LEU  41          HD23      LEU  41   1.789   4.521  -0.281
  295    H    GLU  42           H        GLU  42  -0.316   6.401  -4.916
  296    HA   GLU  42           HA       GLU  42   0.266   7.592  -7.414
  297    HB2  GLU  42           HB2      GLU  42  -1.996   6.913  -6.789
  298    HB3  GLU  42           HB3      GLU  42  -2.000   8.050  -5.454
  299    HG2  GLU  42           HG2      GLU  42  -1.584   9.819  -7.296
  300    HG3  GLU  42           HG3      GLU  42  -2.147   8.577  -8.391
  301    H    LYS  43           H        LYS  43   0.102   8.913  -4.091
  302    HA   LYS  43           HA       LYS  43   0.060  11.548  -5.080
  303    HB2  LYS  43           HB2      LYS  43   0.091  12.317  -2.853
  304    HB3  LYS  43           HB3      LYS  43  -0.904  10.877  -2.937
  305    HG2  LYS  43           HG2      LYS  43   1.094   9.595  -2.115
  306    HG3  LYS  43           HG3      LYS  43   1.858  11.153  -1.809
  307    HD2  LYS  43           HD2      LYS  43  -0.090  11.782  -0.378
  308    HD3  LYS  43           HD3      LYS  43  -0.756  10.176  -0.621
  309    HE2  LYS  43           HE2      LYS  43   1.193   9.202   0.463
  310    HE3  LYS  43           HE3      LYS  43   1.878  10.812   0.685
  311    HZ1  LYS  43           HZ1      LYS  43   0.801  10.279   2.678
  312    HZ2  LYS  43           HZ2      LYS  43  -0.584   9.700   1.883
  313    HZ3  LYS  43           HZ3      LYS  43  -0.236  11.363   1.886
  314    H    ASP  44           H        ASP  44   2.844   9.587  -4.440
  315    HA   ASP  44           HA       ASP  44   4.458  11.939  -5.025
  316    HB2  ASP  44           HB2      ASP  44   5.935  11.649  -3.153
  317    HB3  ASP  44           HB3      ASP  44   4.291  11.928  -2.622
  318    H    GLY  45           H        GLY  45   4.020   8.757  -5.832
  319    HA2  GLY  45           HA2      GLY  45   5.315   7.532  -7.298
  320    HA3  GLY  45           HA3      GLY  45   6.522   8.797  -7.229
  321    H    SER  46           H        SER  46   5.971   7.840  -4.053
  322    HA   SER  46           HA       SER  46   8.484   6.444  -3.952
  323    HG   SER  46           HG       SER  46   5.630   7.491  -1.896
  324    HB2  SER  46           HB2      SER  46   8.010   6.087  -1.584
  325    HB3  SER  46           HB3      SER  46   7.781   7.760  -2.039
  326    H    LYS  47           H        LYS  47   8.823   4.232  -3.427
  327    HA   LYS  47           HA       LYS  47   6.546   2.457  -4.057
  328    HB2  LYS  47           HB2      LYS  47   9.399   2.203  -5.026
  329    HB3  LYS  47           HB3      LYS  47   8.132   1.016  -5.282
  330    HG2  LYS  47           HG2      LYS  47   6.849   2.819  -6.470
  331    HG3  LYS  47           HG3      LYS  47   8.299   3.803  -6.380
  332    HD2  LYS  47           HD2      LYS  47   9.512   1.993  -7.595
  333    HD3  LYS  47           HD3      LYS  47   7.968   1.173  -7.805
  334    HE2  LYS  47           HE2      LYS  47   7.159   3.424  -8.778
  335    HE3  LYS  47           HE3      LYS  47   8.861   3.813  -8.918
  336    HZ1  LYS  47           HZ1      LYS  47   9.022   2.593 -10.747
  337    HZ2  LYS  47           HZ2      LYS  47   7.327   2.472 -10.743
  338    HZ3  LYS  47           HZ3      LYS  47   8.270   1.251 -10.028
  339    H    GLY  48           H        GLY  48   6.622   0.410  -3.066
  340    HA2  GLY  48           HA2      GLY  48   8.656  -0.718  -1.642
  341    HA3  GLY  48           HA3      GLY  48   7.928   0.419  -0.517
  342    H    LEU  49           H        LEU  49   7.870  -1.921   0.371
  343    HA   LEU  49           HA       LEU  49   5.731  -3.617  -0.415
  344    HG   LEU  49           HG       LEU  49   7.197  -5.546  -0.093
  345    HB2  LEU  49           HB2      LEU  49   7.519  -3.400   1.976
  346    HB3  LEU  49           HB3      LEU  49   6.178  -4.519   1.960
  347   HD11  LEU  49          HD11      LEU  49   9.398  -3.657   0.688
  348   HD12  LEU  49          HD12      LEU  49   8.558  -3.764  -0.859
  349   HD13  LEU  49          HD13      LEU  49   9.644  -5.059  -0.353
  350   HD21  LEU  49          HD21      LEU  49   8.993  -6.701   1.207
  351   HD22  LEU  49          HD22      LEU  49   7.457  -6.607   2.068
  352   HD23  LEU  49          HD23      LEU  49   8.772  -5.512   2.490
  353    H    PHE  50           H        PHE  50   3.750  -3.926   0.545
  354    HA   PHE  50           HA       PHE  50   2.973  -2.226   2.764
  355    HD1  PHE  50           HD2      PHE  50   2.713  -1.880  -1.463
  356    HD2  PHE  50           HD1      PHE  50  -0.688  -2.821   0.899
  357    HE1  PHE  50           HE2      PHE  50   1.590  -2.771  -3.429
  358    HE2  PHE  50           HE1      PHE  50  -1.809  -3.699  -1.099
  359    HZ   PHE  50           HZ       PHE  50  -0.664  -3.692  -3.267
  360    HB2  PHE  50           HB2      PHE  50   1.054  -1.280   1.710
  361    HB3  PHE  50           HB3      PHE  50   2.446  -0.898   0.718
  362    HA   PRO  51           HA       PRO  51   0.869  -5.972   3.533
  363    HB2  PRO  51           HB2      PRO  51  -0.819  -5.254   5.550
  364    HB3  PRO  51           HB3      PRO  51   0.936  -5.351   5.781
  365    HG2  PRO  51           HG2      PRO  51  -0.804  -2.986   5.460
  366    HG3  PRO  51           HG3      PRO  51   0.680  -3.189   6.411
  367    HD2  PRO  51           HD2      PRO  51   0.511  -1.946   3.922
  368    HD3  PRO  51           HD3      PRO  51   1.999  -2.555   4.694
  369    H    SER  52           H        SER  52  -0.635  -6.886   2.279
  370    HA   SER  52           HA       SER  52  -2.428  -5.490   0.736
  371    HG   SER  52           HG       SER  52  -0.810  -8.412   0.573
  372    HB2  SER  52           HB2      SER  52  -2.630  -8.374   1.563
  373    HB3  SER  52           HB3      SER  52  -3.396  -7.633   0.160
  374    H    ASN  53           H        ASN  53  -3.127  -6.982   3.903
  375    HA   ASN  53           HA       ASN  53  -5.902  -6.610   3.682
  376    HB2  ASN  53           HB2      ASN  53  -6.073  -7.159   5.992
  377    HB3  ASN  53           HB3      ASN  53  -4.776  -8.136   5.323
  378   HD21  ASN  53          HD21      ASN  53  -2.699  -7.997   6.328
  379   HD22  ASN  53          HD22      ASN  53  -2.301  -6.916   7.574
  380    H    TYR  54           H        TYR  54  -3.621  -4.143   3.833
  381    HA   TYR  54           HA       TYR  54  -5.395  -2.395   5.359
  382    HD1  TYR  54           HD1      TYR  54  -2.673  -3.945   6.356
  383    HD2  TYR  54           HD2      TYR  54  -3.548   0.170   6.908
  384    HE1  TYR  54           HE1      TYR  54  -2.262  -4.186   8.764
  385    HE2  TYR  54           HE2      TYR  54  -3.148  -0.074   9.309
  386    HH   TYR  54           HH       TYR  54  -1.659  -2.747  10.676
  387    HB2  TYR  54           HB2      TYR  54  -2.576  -2.106   4.447
  388    HB3  TYR  54           HB3      TYR  54  -3.523  -0.664   4.762
  389    H    VAL  55           H        VAL  55  -5.238  -3.316   2.168
  390    HA   VAL  55           HA       VAL  55  -6.568  -0.819   1.357
  391    HB   VAL  55           HB       VAL  55  -5.392  -0.611  -0.683
  392   HG11  VAL  55          HG11      VAL  55  -3.281  -1.395   1.327
  393   HG12  VAL  55          HG12      VAL  55  -4.103   0.165   1.273
  394   HG13  VAL  55          HG13      VAL  55  -3.069  -0.334  -0.066
  395   HG21  VAL  55          HG21      VAL  55  -5.322  -2.860  -1.422
  396   HG22  VAL  55          HG22      VAL  55  -4.245  -3.323  -0.105
  397   HG23  VAL  55          HG23      VAL  55  -3.664  -2.263  -1.389
  398    H    SER  56           H        SER  56  -7.757  -1.018  -0.641
  399    HA   SER  56           HA       SER  56  -8.793  -3.712  -1.209
  400    HG   SER  56           HG       SER  56  -9.616  -3.012   0.827
  401    HB2  SER  56           HB2      SER  56 -10.382  -1.160  -0.881
  402    HB3  SER  56           HB3      SER  56 -11.033  -2.705  -1.415
  403    H    LEU  57           H        LEU  57  -8.739  -4.121  -3.420
  404    HA   LEU  57           HA       LEU  57  -7.511  -2.309  -5.168
  405    HG   LEU  57           HG       LEU  57  -7.605  -5.579  -4.722
  406    HB2  LEU  57           HB2      LEU  57  -9.325  -4.564  -5.960
  407    HB3  LEU  57           HB3      LEU  57  -8.202  -3.728  -7.007
  408   HD11  LEU  57          HD11      LEU  57  -6.847  -5.607  -7.650
  409   HD12  LEU  57          HD12      LEU  57  -8.148  -6.547  -6.919
  410   HD13  LEU  57          HD13      LEU  57  -6.472  -6.856  -6.465
  411   HD21  LEU  57          HD21      LEU  57  -5.190  -5.207  -5.454
  412   HD22  LEU  57          HD22      LEU  57  -5.930  -3.985  -4.420
  413   HD23  LEU  57          HD23      LEU  57  -5.769  -3.697  -6.153
  414    H    GLY  58           H        GLY  58  -8.181  -0.893  -6.675
  415    HA2  GLY  58           HA2      GLY  58  -9.560   0.530  -7.838
  416    HA3  GLY  58           HA3      GLY  58 -10.900  -0.531  -7.439
  417    H    ASN  59           H        ASN  59 -12.034   1.515  -7.345
  418    HA   ASN  59           HA       ASN  59 -11.475   3.333  -5.188
  419    HB2  ASN  59           HB2      ASN  59 -12.934   3.446  -7.637
  420    HB3  ASN  59           HB3      ASN  59 -14.034   3.862  -6.333
  421   HD21  ASN  59          HD21      ASN  59 -12.874   5.512  -8.488
  422   HD22  ASN  59          HD22      ASN  59 -12.086   6.808  -7.725