PLUMED-NEST

Project ID: plumID:24.007
Source: plumed.dat
Originally used with PLUMED version: 2.9
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

Click on the labels of the actions for more information on what each action computes

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#plumed.dat for SWISH#
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#RESTART
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### RESTRAINT CMAP ###
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MOLINFOThis command is used to provide information on the molecules that are present in your system. More details STRUCTUREa file in pdb format containing a reference structure=./1jwp_cmap.pdb
The MOLINFO action with label  calculates somethingINCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included file FILEfile to be included=./1jwp_cmap.dat
# The command:
# INCLUDE FILE=./1jwp_cmap.dat
# ensures PLUMED loads the contents of the file called ./1jwp_cmap.dat
# The contents of this file are shown below (click the red comment to hide them).
The INCLUDE action with label ./1jwp_cmap.dat calculates somethingCONTACTMAPCalculate the distances between a number of pairs of atoms and transform each distance by a switching function. More details ...
ATOMS1the atoms involved in each of the contacts you wish to calculate=14,4032         REFERENCE1A reference value for a given contact, by default is 0=0.845     SWITCH1The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   HID26-CG   HID289-CG 
ATOMS2the atoms involved in each of the contacts you wish to calculate=28,518          REFERENCE2A reference value for a given contact, by default is 0=0.570     SWITCH2The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   PRO27-CG    GLU58-CD 
ATOMS3the atoms involved in each of the contacts you wish to calculate=57,3958         REFERENCE3A reference value for a given contact, by default is 0=0.806     SWITCH3The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   THR29-CB   SER285-CB 
ATOMS4the atoms involved in each of the contacts you wish to calculate=57,4032         REFERENCE4A reference value for a given contact, by default is 0=0.408     SWITCH4The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   THR29-CB   HID289-CG 
ATOMS5the atoms involved in each of the contacts you wish to calculate=74,518          REFERENCE5A reference value for a given contact, by default is 0=0.826     SWITCH5The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU30-CG    GLU58-CD 
ATOMS6the atoms involved in each of the contacts you wish to calculate=115,221         REFERENCE6A reference value for a given contact, by default is 0=0.589     SWITCH6The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LYS32-CE    GLN39-CD 
ATOMS7the atoms involved in each of the contacts you wish to calculate=115,3867        REFERENCE7A reference value for a given contact, by default is 0=0.832     SWITCH7The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LYS32-CE   GLN278-CD 
ATOMS8the atoms involved in each of the contacts you wish to calculate=115,3913        REFERENCE8A reference value for a given contact, by default is 0=0.437     SWITCH8The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LYS32-CE   GLU281-CD 
ATOMS9the atoms involved in each of the contacts you wish to calculate=115,3928        REFERENCE9A reference value for a given contact, by default is 0=0.760     SWITCH9The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LYS32-CE   ILE282-CG1
ATOMS10the atoms involved in each of the contacts you wish to calculate=128,292       REFERENCE10A reference value for a given contact, by default is 0=0.459    SWITCH10The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   VAL33-CB    VAL44-CB 
ATOMS11the atoms involved in each of the contacts you wish to calculate=128,318       REFERENCE11A reference value for a given contact, by default is 0=0.683    SWITCH11The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   VAL33-CB    TYR46-CG 
ATOMS12the atoms involved in each of the contacts you wish to calculate=128,541       REFERENCE12A reference value for a given contact, by default is 0=0.664    SWITCH12The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   VAL33-CB    PHE60-CG 
ATOMS13the atoms involved in each of the contacts you wish to calculate=128,3928      REFERENCE13A reference value for a given contact, by default is 0=0.688    SWITCH13The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   VAL33-CB   ILE282-CG1
ATOMS14the atoms involved in each of the contacts you wish to calculate=169,3867      REFERENCE14A reference value for a given contact, by default is 0=0.404    SWITCH14The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ASP35-CG   GLN278-CD 
ATOMS15the atoms involved in each of the contacts you wish to calculate=176,292       REFERENCE15A reference value for a given contact, by default is 0=0.410    SWITCH15The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ALA36-CA    VAL44-CB 
ATOMS16the atoms involved in each of the contacts you wish to calculate=176,3867      REFERENCE16A reference value for a given contact, by default is 0=0.859    SWITCH16The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ALA36-CA   GLN278-CD 
ATOMS17the atoms involved in each of the contacts you wish to calculate=176,3928      REFERENCE17A reference value for a given contact, by default is 0=0.412    SWITCH17The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ALA36-CA   ILE282-CG1
ATOMS18the atoms involved in each of the contacts you wish to calculate=194,256       REFERENCE18A reference value for a given contact, by default is 0=0.389    SWITCH18The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLU37-CD    ALA42-CA 
ATOMS19the atoms involved in each of the contacts you wish to calculate=194,292       REFERENCE19A reference value for a given contact, by default is 0=0.774    SWITCH19The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLU37-CD    VAL44-CB 
ATOMS20the atoms involved in each of the contacts you wish to calculate=194,541       REFERENCE20A reference value for a given contact, by default is 0=0.446    SWITCH20The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLU37-CD    PHE60-CG 
ATOMS21the atoms involved in each of the contacts you wish to calculate=194,569       REFERENCE21A reference value for a given contact, by default is 0=0.839    SWITCH21The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLU37-CD    ARG61-CZ 
ATOMS22the atoms involved in each of the contacts you wish to calculate=221,3867      REFERENCE22A reference value for a given contact, by default is 0=0.922    SWITCH22The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLN39-CD   GLN278-CD 
ATOMS23the atoms involved in each of the contacts you wish to calculate=235,3668      REFERENCE23A reference value for a given contact, by default is 0=0.388    SWITCH23The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU40-CG   THR265-CB 
ATOMS24the atoms involved in each of the contacts you wish to calculate=235,3703      REFERENCE24A reference value for a given contact, by default is 0=0.694    SWITCH24The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU40-CG   SER268-CB 
ATOMS25the atoms involved in each of the contacts you wish to calculate=235,3867      REFERENCE25A reference value for a given contact, by default is 0=0.645    SWITCH25The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU40-CG   GLN278-CD 
ATOMS26the atoms involved in each of the contacts you wish to calculate=249,3703      REFERENCE26A reference value for a given contact, by default is 0=0.421    SWITCH26The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLY41-CA   SER268-CB 
ATOMS27the atoms involved in each of the contacts you wish to calculate=256,3694      REFERENCE27A reference value for a given contact, by default is 0=0.593    SWITCH27The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ALA42-CA   GLY267-CA 
ATOMS28the atoms involved in each of the contacts you wish to calculate=256,3703      REFERENCE28A reference value for a given contact, by default is 0=0.670    SWITCH28The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ALA42-CA   SER268-CB 
ATOMS29the atoms involved in each of the contacts you wish to calculate=279,617       REFERENCE29A reference value for a given contact, by default is 0=0.592    SWITCH29The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ARG43-CZ    GLU64-CD 
ATOMS30the atoms involved in each of the contacts you wish to calculate=279,653       REFERENCE30A reference value for a given contact, by default is 0=0.697    SWITCH30The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ARG43-CZ    PHE66-CG 
ATOMS31the atoms involved in each of the contacts you wish to calculate=279,3682      REFERENCE31A reference value for a given contact, by default is 0=0.448    SWITCH31The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ARG43-CZ   THR266-CB 
ATOMS32the atoms involved in each of the contacts you wish to calculate=292,3668      REFERENCE32A reference value for a given contact, by default is 0=0.733    SWITCH32The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   VAL44-CB   THR265-CB 
ATOMS33the atoms involved in each of the contacts you wish to calculate=306,541       REFERENCE33A reference value for a given contact, by default is 0=0.469    SWITCH33The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLY45-CA    PHE60-CG 
ATOMS34the atoms involved in each of the contacts you wish to calculate=306,653       REFERENCE34A reference value for a given contact, by default is 0=0.562    SWITCH34The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLY45-CA    PHE66-CG 
ATOMS35the atoms involved in each of the contacts you wish to calculate=306,2450      REFERENCE35A reference value for a given contact, by default is 0=0.895    SWITCH35The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLY45-CA   PRO183-CG 
ATOMS36the atoms involved in each of the contacts you wish to calculate=318,3634      REFERENCE36A reference value for a given contact, by default is 0=0.674    SWITCH36The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   TYR46-CG   ILE263-CG1
ATOMS37the atoms involved in each of the contacts you wish to calculate=342,480       REFERENCE37A reference value for a given contact, by default is 0=0.668    SWITCH37The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ILE47-CG1   ILE56-CG1
ATOMS38the atoms involved in each of the contacts you wish to calculate=342,527       REFERENCE38A reference value for a given contact, by default is 0=0.871    SWITCH38The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ILE47-CG1   SER59-CB 
ATOMS39the atoms involved in each of the contacts you wish to calculate=342,2462      REFERENCE39A reference value for a given contact, by default is 0=0.629    SWITCH39The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ILE47-CG1  ALA184-CA 
ATOMS40the atoms involved in each of the contacts you wish to calculate=361,496       REFERENCE40A reference value for a given contact, by default is 0=0.723    SWITCH40The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLU48-CD    LEU57-CG 
ATOMS41the atoms involved in each of the contacts you wish to calculate=361,3564      REFERENCE41A reference value for a given contact, by default is 0=0.701    SWITCH41The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLU48-CD   ARG259-CZ 
ATOMS42the atoms involved in each of the contacts you wish to calculate=361,3972      REFERENCE42A reference value for a given contact, by default is 0=0.436    SWITCH42The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLU48-CD   LEU286-CG 
ATOMS43the atoms involved in each of the contacts you wish to calculate=373,443       REFERENCE43A reference value for a given contact, by default is 0=0.836    SWITCH43The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU49-CG    GLY54-CA 
ATOMS44the atoms involved in each of the contacts you wish to calculate=373,480       REFERENCE44A reference value for a given contact, by default is 0=0.513    SWITCH44The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU49-CG    ILE56-CG1
ATOMS45the atoms involved in each of the contacts you wish to calculate=373,2499      REFERENCE45A reference value for a given contact, by default is 0=0.434    SWITCH45The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU49-CG   ALA187-CA 
ATOMS46the atoms involved in each of the contacts you wish to calculate=373,3583      REFERENCE46A reference value for a given contact, by default is 0=0.418    SWITCH46The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU49-CG   ILE260-CG1
ATOMS47the atoms involved in each of the contacts you wish to calculate=392,496       REFERENCE47A reference value for a given contact, by default is 0=0.514    SWITCH47The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ASP50-CG    LEU57-CG 
ATOMS48the atoms involved in each of the contacts you wish to calculate=404,2642      REFERENCE48A reference value for a given contact, by default is 0=0.619    SWITCH48The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU51-CG   THR195-CB 
ATOMS49the atoms involved in each of the contacts you wish to calculate=404,3528      REFERENCE49A reference value for a given contact, by default is 0=0.480    SWITCH49The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU51-CG   PRO257-CG 
ATOMS50the atoms involved in each of the contacts you wish to calculate=404,3583      REFERENCE50A reference value for a given contact, by default is 0=0.636    SWITCH50The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU51-CG   ILE260-CG1
ATOMS51the atoms involved in each of the contacts you wish to calculate=443,2569      REFERENCE51A reference value for a given contact, by default is 0=0.893    SWITCH51The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLY54-CA   ARG191-CZ 
ATOMS52the atoms involved in each of the contacts you wish to calculate=496,3564      REFERENCE52A reference value for a given contact, by default is 0=0.524    SWITCH52The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU57-CG   ARG259-CZ 
ATOMS53the atoms involved in each of the contacts you wish to calculate=637,2063      REFERENCE53A reference value for a given contact, by default is 0=0.660    SWITCH53The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ARG65-CZ   VAL159-CB 
ATOMS54the atoms involved in each of the contacts you wish to calculate=637,2363      REFERENCE54A reference value for a given contact, by default is 0=0.771    SWITCH54The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ARG65-CZ   GLU177-CD 
ATOMS55the atoms involved in each of the contacts you wish to calculate=637,2408      REFERENCE55A reference value for a given contact, by default is 0=0.577    SWITCH55The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ARG65-CZ   THR180-CB 
ATOMS56the atoms involved in each of the contacts you wish to calculate=653,2450      REFERENCE56A reference value for a given contact, by default is 0=0.556    SWITCH56The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   PHE66-CG   PRO183-CG 
ATOMS57the atoms involved in each of the contacts you wish to calculate=653,3650      REFERENCE57A reference value for a given contact, by default is 0=0.814    SWITCH57The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   PHE66-CG   TYR264-CG 
ATOMS58the atoms involved in each of the contacts you wish to calculate=653,3682      REFERENCE58A reference value for a given contact, by default is 0=0.482    SWITCH58The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   PHE66-CG   THR266-CB 
ATOMS59the atoms involved in each of the contacts you wish to calculate=670,2286      REFERENCE59A reference value for a given contact, by default is 0=0.891    SWITCH59The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   PRO67-CG   ALA172-CA 
ATOMS60the atoms involved in each of the contacts you wish to calculate=670,2408      REFERENCE60A reference value for a given contact, by default is 0=0.429    SWITCH60The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   PRO67-CG   THR180-CB 
ATOMS61the atoms involved in each of the contacts you wish to calculate=670,3347      REFERENCE61A reference value for a given contact, by default is 0=0.741    SWITCH61The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   PRO67-CG   SER243-CB 
ATOMS62the atoms involved in each of the contacts you wish to calculate=670,3682      REFERENCE62A reference value for a given contact, by default is 0=0.764    SWITCH62The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   PRO67-CG   THR266-CB 
ATOMS63the atoms involved in each of the contacts you wish to calculate=690,804       REFERENCE63A reference value for a given contact, by default is 0=0.615    SWITCH63The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   MET68-SD    LEU75-CG 
ATOMS64the atoms involved in each of the contacts you wish to calculate=690,2079      REFERENCE64A reference value for a given contact, by default is 0=0.649    SWITCH64The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   MET68-SD   THR160-CB 
ATOMS65the atoms involved in each of the contacts you wish to calculate=690,2422      REFERENCE65A reference value for a given contact, by default is 0=0.840    SWITCH65The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   MET68-SD   THR181-CB 
ATOMS66the atoms involved in each of the contacts you wish to calculate=690,2490      REFERENCE66A reference value for a given contact, by default is 0=0.514    SWITCH66The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   MET68-SD   MET186-SD 
ATOMS67the atoms involved in each of the contacts you wish to calculate=707,3275      REFERENCE67A reference value for a given contact, by default is 0=0.752    SWITCH67The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   MET69-SD   GLY236-CA 
ATOMS68the atoms involved in each of the contacts you wish to calculate=707,3282      REFERENCE68A reference value for a given contact, by default is 0=0.912    SWITCH68The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   MET69-SD   ALA237-CA 
ATOMS69the atoms involved in each of the contacts you wish to calculate=707,3292      REFERENCE69A reference value for a given contact, by default is 0=0.820    SWITCH69The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   MET69-SD   GLY238-CA 
ATOMS70the atoms involved in each of the contacts you wish to calculate=707,3347      REFERENCE70A reference value for a given contact, by default is 0=0.939    SWITCH70The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   MET69-SD   SER243-CB 
ATOMS71the atoms involved in each of the contacts you wish to calculate=707,3380      REFERENCE71A reference value for a given contact, by default is 0=0.580    SWITCH71The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   MET69-SD   GLY245-CA 
ATOMS72the atoms involved in each of the contacts you wish to calculate=718,1643      REFERENCE72A reference value for a given contact, by default is 0=0.764    SWITCH72The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   SER70-CB   SER130-CB 
ATOMS73the atoms involved in each of the contacts you wish to calculate=718,3253      REFERENCE73A reference value for a given contact, by default is 0=0.874    SWITCH73The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   SER70-CB   LYS234-CE 
ATOMS74the atoms involved in each of the contacts you wish to calculate=718,3275      REFERENCE74A reference value for a given contact, by default is 0=0.844    SWITCH74The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   SER70-CB   GLY236-CA 
ATOMS75the atoms involved in each of the contacts you wish to calculate=729,2490      REFERENCE75A reference value for a given contact, by default is 0=0.544    SWITCH75The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   THR71-CB   MET186-SD 
ATOMS76the atoms involved in each of the contacts you wish to calculate=729,3275      REFERENCE76A reference value for a given contact, by default is 0=0.456    SWITCH76The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   THR71-CB   GLY236-CA 
ATOMS77the atoms involved in each of the contacts you wish to calculate=729,3414      REFERENCE77A reference value for a given contact, by default is 0=0.733    SWITCH77The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   THR71-CB   ILE247-CG1
ATOMS78the atoms involved in each of the contacts you wish to calculate=746,2120      REFERENCE78A reference value for a given contact, by default is 0=0.651    SWITCH78The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   PHE72-CG   LEU162-CG 
ATOMS79the atoms involved in each of the contacts you wish to calculate=746,2243      REFERENCE79A reference value for a given contact, by default is 0=0.413    SWITCH79The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   PHE72-CG   LEU169-CG 
ATOMS80the atoms involved in each of the contacts you wish to calculate=772,1581      REFERENCE80A reference value for a given contact, by default is 0=0.577    SWITCH80The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LYS73-CE   ALA126-CA 
ATOMS81the atoms involved in each of the contacts you wish to calculate=772,1643      REFERENCE81A reference value for a given contact, by default is 0=0.605    SWITCH81The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LYS73-CE   SER130-CB 
ATOMS82the atoms involved in each of the contacts you wish to calculate=772,1669      REFERENCE82A reference value for a given contact, by default is 0=0.639    SWITCH82The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LYS73-CE   ASN132-CG 
ATOMS83the atoms involved in each of the contacts you wish to calculate=772,1702      REFERENCE83A reference value for a given contact, by default is 0=0.580    SWITCH83The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LYS73-CE   ALA135-CA 
ATOMS84the atoms involved in each of the contacts you wish to calculate=772,2202      REFERENCE84A reference value for a given contact, by default is 0=0.814    SWITCH84The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LYS73-CE   GLU166-CD 
ATOMS85the atoms involved in each of the contacts you wish to calculate=772,3253      REFERENCE85A reference value for a given contact, by default is 0=0.588    SWITCH85The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LYS73-CE   LYS234-CE 
ATOMS86the atoms involved in each of the contacts you wish to calculate=785,1599      REFERENCE86A reference value for a given contact, by default is 0=0.581    SWITCH86The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   VAL74-CB   ILE127-CG1
ATOMS87the atoms involved in each of the contacts you wish to calculate=785,2831      REFERENCE87A reference value for a given contact, by default is 0=0.463    SWITCH87The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   VAL74-CB   LEU207-CG 
ATOMS88the atoms involved in each of the contacts you wish to calculate=785,2908      REFERENCE88A reference value for a given contact, by default is 0=0.771    SWITCH88The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   VAL74-CB   MET211-SD 
ATOMS89the atoms involved in each of the contacts you wish to calculate=785,3414      REFERENCE89A reference value for a given contact, by default is 0=0.577    SWITCH89The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   VAL74-CB   ILE247-CG1
ATOMS90the atoms involved in each of the contacts you wish to calculate=804,1963      REFERENCE90A reference value for a given contact, by default is 0=0.521    SWITCH90The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU75-CG   LEU152-CG 
ATOMS91the atoms involved in each of the contacts you wish to calculate=804,2490      REFERENCE91A reference value for a given contact, by default is 0=0.810    SWITCH91The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU75-CG   MET186-SD 
ATOMS92the atoms involved in each of the contacts you wish to calculate=804,2525      REFERENCE92A reference value for a given contact, by default is 0=0.449    SWITCH92The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU75-CG   THR189-CB 
ATOMS93the atoms involved in each of the contacts you wish to calculate=823,1702      REFERENCE93A reference value for a given contact, by default is 0=0.520    SWITCH93The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU76-CG   ALA135-CA 
ATOMS94the atoms involved in each of the contacts you wish to calculate=823,1750      REFERENCE94A reference value for a given contact, by default is 0=0.633    SWITCH94The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU76-CG   LEU138-CG 
ATOMS95the atoms involved in each of the contacts you wish to calculate=823,1769      REFERENCE95A reference value for a given contact, by default is 0=0.715    SWITCH95The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU76-CG   LEU139-CG 
ATOMS96the atoms involved in each of the contacts you wish to calculate=823,1819      REFERENCE96A reference value for a given contact, by default is 0=0.408    SWITCH96The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU76-CG   ILE142-CG1
ATOMS97the atoms involved in each of the contacts you wish to calculate=823,1900      REFERENCE97A reference value for a given contact, by default is 0=0.385    SWITCH97The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU76-CG   LEU148-CG 
ATOMS98the atoms involved in each of the contacts you wish to calculate=839,1552      REFERENCE98A reference value for a given contact, by default is 0=0.867    SWITCH98The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   CYS77-CB   CYS123-CB 
ATOMS99the atoms involved in each of the contacts you wish to calculate=839,1599      REFERENCE99A reference value for a given contact, by default is 0=0.716    SWITCH99The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   CYS77-CB   ILE127-CG1
ATOMS100the atoms involved in each of the contacts you wish to calculate=839,2831    REFERENCE100A reference value for a given contact, by default is 0=0.454   SWITCH100The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   CYS77-CB   LEU207-CG 
ATOMS101the atoms involved in each of the contacts you wish to calculate=847,2607    REFERENCE101A reference value for a given contact, by default is 0=0.610   SWITCH101The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLY78-CA   LEU193-CG 
ATOMS102the atoms involved in each of the contacts you wish to calculate=847,2700    REFERENCE102A reference value for a given contact, by default is 0=0.535   SWITCH102The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLY78-CA   LEU199-CG 
ATOMS103the atoms involved in each of the contacts you wish to calculate=847,2831    REFERENCE103A reference value for a given contact, by default is 0=0.602   SWITCH103The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLY78-CA   LEU207-CG 
ATOMS104the atoms involved in each of the contacts you wish to calculate=854,1943    REFERENCE104A reference value for a given contact, by default is 0=0.825   SWITCH104The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ALA79-CA   PHE151-CG 
ATOMS105the atoms involved in each of the contacts you wish to calculate=885,1033    REFERENCE105A reference value for a given contact, by default is 0=0.373   SWITCH105The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU81-CG    LEU91-CG 
ATOMS106the atoms involved in each of the contacts you wish to calculate=885,2700    REFERENCE106A reference value for a given contact, by default is 0=0.444   SWITCH106The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU81-CG   LEU199-CG 
ATOMS107the atoms involved in each of the contacts you wish to calculate=885,2759    REFERENCE107A reference value for a given contact, by default is 0=0.801   SWITCH107The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU81-CG   SER203-CB 
ATOMS108the atoms involved in each of the contacts you wish to calculate=885,2831    REFERENCE108A reference value for a given contact, by default is 0=0.390   SWITCH108The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU81-CG   LEU207-CG 
ATOMS109the atoms involved in each of the contacts you wish to calculate=901,1943    REFERENCE109A reference value for a given contact, by default is 0=0.480   SWITCH109The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   SER82-CB   PHE151-CG 
ATOMS110the atoms involved in each of the contacts you wish to calculate=901,2700    REFERENCE110A reference value for a given contact, by default is 0=0.526   SWITCH110The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   SER82-CB   LEU199-CG 
ATOMS111the atoms involved in each of the contacts you wish to calculate=923,987     REFERENCE111A reference value for a given contact, by default is 0=0.486   SWITCH111The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ARG83-CZ    GLN88-CD 
ATOMS112the atoms involved in each of the contacts you wish to calculate=923,1004    REFERENCE112A reference value for a given contact, by default is 0=0.711   SWITCH112The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ARG83-CZ    GLU89-CD 
ATOMS113the atoms involved in each of the contacts you wish to calculate=923,1799    REFERENCE113A reference value for a given contact, by default is 0=0.562   SWITCH113The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ARG83-CZ   THR141-CB 
ATOMS114the atoms involved in each of the contacts you wish to calculate=936,1033    REFERENCE114A reference value for a given contact, by default is 0=0.676   SWITCH114The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   VAL84-CB    LEU91-CG 
ATOMS115the atoms involved in each of the contacts you wish to calculate=955,2700    REFERENCE115A reference value for a given contact, by default is 0=0.470   SWITCH115The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ASP85-CG   LEU199-CG 
ATOMS116the atoms involved in each of the contacts you wish to calculate=955,2716    REFERENCE116A reference value for a given contact, by default is 0=0.880   SWITCH116The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ASP85-CG   THR200-CB 
ATOMS117the atoms involved in each of the contacts you wish to calculate=955,2759    REFERENCE117A reference value for a given contact, by default is 0=0.852   SWITCH117The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ASP85-CG   SER203-CB 
ATOMS118the atoms involved in each of the contacts you wish to calculate=1004,1478   REFERENCE118A reference value for a given contact, by default is 0=0.680   SWITCH118The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLU89-CD   VAL119-CB 
ATOMS119the atoms involved in each of the contacts you wish to calculate=1004,1799   REFERENCE119A reference value for a given contact, by default is 0=0.631   SWITCH119The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLU89-CD   THR141-CB 
ATOMS120the atoms involved in each of the contacts you wish to calculate=1033,1478   REFERENCE120A reference value for a given contact, by default is 0=0.511   SWITCH120The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU91-CG   VAL119-CB 
ATOMS121the atoms involved in each of the contacts you wish to calculate=1033,1505   REFERENCE121A reference value for a given contact, by default is 0=0.770   SWITCH121The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   LEU91-CG   ARG120-CZ 
ATOMS122the atoms involved in each of the contacts you wish to calculate=1047,1464   REFERENCE122A reference value for a given contact, by default is 0=0.830   SWITCH122The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLY92-CA   THR118-CB 
ATOMS123the atoms involved in each of the contacts you wish to calculate=1047,1478   REFERENCE123A reference value for a given contact, by default is 0=0.426   SWITCH123The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLY92-CA   VAL119-CB 
ATOMS124the atoms involved in each of the contacts you wish to calculate=1047,1505   REFERENCE124A reference value for a given contact, by default is 0=0.639   SWITCH124The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLY92-CA   ARG120-CZ 
ATOMS125the atoms involved in each of the contacts you wish to calculate=1067,1799   REFERENCE125A reference value for a given contact, by default is 0=0.595   SWITCH125The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ARG93-CZ   THR141-CB 
ATOMS126the atoms involved in each of the contacts you wish to calculate=1091,1438   REFERENCE126A reference value for a given contact, by default is 0=0.463   SWITCH126The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ARG94-CZ   GLY116-CA 
ATOMS127the atoms involved in each of the contacts you wish to calculate=1091,1464   REFERENCE127A reference value for a given contact, by default is 0=0.518   SWITCH127The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ARG94-CZ   THR118-CB 
ATOMS128the atoms involved in each of the contacts you wish to calculate=1091,1524   REFERENCE128A reference value for a given contact, by default is 0=0.394   SWITCH128The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ARG94-CZ   GLU121-CD 
ATOMS129the atoms involved in each of the contacts you wish to calculate=1110,1478   REFERENCE129A reference value for a given contact, by default is 0=0.396   SWITCH129The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ILE95-CG1  VAL119-CB 
ATOMS130the atoms involved in each of the contacts you wish to calculate=1110,1536   REFERENCE130A reference value for a given contact, by default is 0=0.441   SWITCH130The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   ILE95-CG1  LEU122-CG 
ATOMS131the atoms involved in each of the contacts you wish to calculate=1126,1438   REFERENCE131A reference value for a given contact, by default is 0=0.608   SWITCH131The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   HID96-CG   GLY116-CA 
ATOMS132the atoms involved in each of the contacts you wish to calculate=1143,1327   REFERENCE132A reference value for a given contact, by default is 0=0.414   SWITCH132The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   TYR97-CG   THR109-CB 
ATOMS133the atoms involved in each of the contacts you wish to calculate=1143,1398   REFERENCE133A reference value for a given contact, by default is 0=0.375   SWITCH133The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   TYR97-CG   LEU113-CG 
ATOMS134the atoms involved in each of the contacts you wish to calculate=1143,1438   REFERENCE134A reference value for a given contact, by default is 0=0.509   SWITCH134The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   TYR97-CG   GLY116-CA 
ATOMS135the atoms involved in each of the contacts you wish to calculate=1143,1731   REFERENCE135A reference value for a given contact, by default is 0=0.693   SWITCH135The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   TYR97-CG   LEU137-CG 
ATOMS136the atoms involved in each of the contacts you wish to calculate=1178,1398   REFERENCE136A reference value for a given contact, by default is 0=0.544   SWITCH136The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #   GLN99-CD   LEU113-CG 
ATOMS137the atoms involved in each of the contacts you wish to calculate=1206,1731   REFERENCE137A reference value for a given contact, by default is 0=0.441   SWITCH137The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ASP101-CG   LEU137-CG 
ATOMS138the atoms involved in each of the contacts you wish to calculate=1218,1327   REFERENCE138A reference value for a given contact, by default is 0=0.425   SWITCH138The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU102-CG   THR109-CB 
ATOMS139the atoms involved in each of the contacts you wish to calculate=1218,1398   REFERENCE139A reference value for a given contact, by default is 0=0.651   SWITCH139The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU102-CG   LEU113-CG 
ATOMS140the atoms involved in each of the contacts you wish to calculate=1218,1680   REFERENCE140A reference value for a given contact, by default is 0=0.566   SWITCH140The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU102-CG   THR133-CB 
ATOMS141the atoms involved in each of the contacts you wish to calculate=1234,1669   REFERENCE141A reference value for a given contact, by default is 0=0.386   SWITCH141The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  VAL103-CB   ASN132-CG 
ATOMS142the atoms involved in each of the contacts you wish to calculate=1234,1680   REFERENCE142A reference value for a given contact, by default is 0=0.485   SWITCH142The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  VAL103-CB   THR133-CB 
ATOMS143the atoms involved in each of the contacts you wish to calculate=1234,1717   REFERENCE143A reference value for a given contact, by default is 0=0.414   SWITCH143The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  VAL103-CB   ASN136-CG 
ATOMS144the atoms involved in each of the contacts you wish to calculate=1234,2211   REFERENCE144A reference value for a given contact, by default is 0=0.609   SWITCH144The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  VAL103-CB   PRO167-CG 
ATOMS145the atoms involved in each of the contacts you wish to calculate=1256,2211   REFERENCE145A reference value for a given contact, by default is 0=0.852   SWITCH145The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLU104-CD   PRO167-CG 
ATOMS146the atoms involved in each of the contacts you wish to calculate=1268,1643   REFERENCE146A reference value for a given contact, by default is 0=0.404   SWITCH146The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  TYR105-CG   SER130-CB 
ATOMS147the atoms involved in each of the contacts you wish to calculate=1268,1669   REFERENCE147A reference value for a given contact, by default is 0=0.570   SWITCH147The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  TYR105-CG   ASN132-CG 
ATOMS148the atoms involved in each of the contacts you wish to calculate=1286,1657   REFERENCE148A reference value for a given contact, by default is 0=0.871   SWITCH148The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  SER106-CB   ASP131-CG 
ATOMS149the atoms involved in each of the contacts you wish to calculate=1286,1680   REFERENCE149A reference value for a given contact, by default is 0=0.908   SWITCH149The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  SER106-CB   THR133-CB 
ATOMS150the atoms involved in each of the contacts you wish to calculate=1297,1632   REFERENCE150A reference value for a given contact, by default is 0=0.555   SWITCH150The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  PRO107-CG   MET129-SD 
ATOMS151the atoms involved in each of the contacts you wish to calculate=1297,1657   REFERENCE151A reference value for a given contact, by default is 0=0.711   SWITCH151The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  PRO107-CG   ASP131-CG 
ATOMS152the atoms involved in each of the contacts you wish to calculate=1311,1453   REFERENCE152A reference value for a given contact, by default is 0=0.601   SWITCH152The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  VAL108-CB   MET117-SD 
ATOMS153the atoms involved in each of the contacts you wish to calculate=1311,1571   REFERENCE153A reference value for a given contact, by default is 0=0.735   SWITCH153The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  VAL108-CB   ALA125-CA 
ATOMS154the atoms involved in each of the contacts you wish to calculate=1311,1657   REFERENCE154A reference value for a given contact, by default is 0=0.797   SWITCH154The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  VAL108-CB   ASP131-CG 
ATOMS155the atoms involved in each of the contacts you wish to calculate=1327,1453   REFERENCE155A reference value for a given contact, by default is 0=0.806   SWITCH155The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  THR109-CB   MET117-SD 
ATOMS156the atoms involved in each of the contacts you wish to calculate=1327,1657   REFERENCE156A reference value for a given contact, by default is 0=0.857   SWITCH156The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  THR109-CB   ASP131-CG 
ATOMS157the atoms involved in each of the contacts you wish to calculate=1327,1680   REFERENCE157A reference value for a given contact, by default is 0=0.876   SWITCH157The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  THR109-CB   THR133-CB 
ATOMS158the atoms involved in each of the contacts you wish to calculate=1327,1692   REFERENCE158A reference value for a given contact, by default is 0=0.616   SWITCH158The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  THR109-CB   ALA134-CA 
ATOMS159the atoms involved in each of the contacts you wish to calculate=1381,1453   REFERENCE159A reference value for a given contact, by default is 0=0.837   SWITCH159The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  HID112-CG   MET117-SD 
ATOMS160the atoms involved in each of the contacts you wish to calculate=1453,1536   REFERENCE160A reference value for a given contact, by default is 0=0.723   SWITCH160The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  MET117-SD   LEU122-CG 
ATOMS161the atoms involved in each of the contacts you wish to calculate=1536,1692   REFERENCE161A reference value for a given contact, by default is 0=0.637   SWITCH161The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU122-CG   ALA134-CA 
ATOMS162the atoms involved in each of the contacts you wish to calculate=1536,1731   REFERENCE162A reference value for a given contact, by default is 0=0.417   SWITCH162The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU122-CG   LEU137-CG 
ATOMS163the atoms involved in each of the contacts you wish to calculate=1536,1750   REFERENCE163A reference value for a given contact, by default is 0=0.670   SWITCH163The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU122-CG   LEU138-CG 
ATOMS164the atoms involved in each of the contacts you wish to calculate=1552,1750   REFERENCE164A reference value for a given contact, by default is 0=0.513   SWITCH164The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  CYS123-CB   LEU138-CG 
ATOMS165the atoms involved in each of the contacts you wish to calculate=1552,2886   REFERENCE165A reference value for a given contact, by default is 0=0.891   SWITCH165The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  CYS123-CB   TRP210-CE2
ATOMS166the atoms involved in each of the contacts you wish to calculate=1562,2886   REFERENCE166A reference value for a given contact, by default is 0=0.688   SWITCH166The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  SER124-CB   TRP210-CE2
ATOMS167the atoms involved in each of the contacts you wish to calculate=1571,1657   REFERENCE167A reference value for a given contact, by default is 0=0.528   SWITCH167The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA125-CA   ASP131-CG 
ATOMS168the atoms involved in each of the contacts you wish to calculate=1581,1657   REFERENCE168A reference value for a given contact, by default is 0=0.445   SWITCH168The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA126-CA   ASP131-CG 
ATOMS169the atoms involved in each of the contacts you wish to calculate=1581,1692   REFERENCE169A reference value for a given contact, by default is 0=0.511   SWITCH169The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA126-CA   ALA134-CA 
ATOMS170the atoms involved in each of the contacts you wish to calculate=1581,1702   REFERENCE170A reference value for a given contact, by default is 0=0.494   SWITCH170The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA126-CA   ALA135-CA 
ATOMS171the atoms involved in each of the contacts you wish to calculate=1581,3253   REFERENCE171A reference value for a given contact, by default is 0=0.418   SWITCH171The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA126-CA   LYS234-CE 
ATOMS172the atoms involved in each of the contacts you wish to calculate=1599,3253   REFERENCE172A reference value for a given contact, by default is 0=0.600   SWITCH172The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ILE127-CG1  LYS234-CE 
ATOMS173the atoms involved in each of the contacts you wish to calculate=1612,2932   REFERENCE173A reference value for a given contact, by default is 0=0.618   SWITCH173The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  THR128-CB   ALA213-CA 
ATOMS174the atoms involved in each of the contacts you wish to calculate=1612,2947   REFERENCE174A reference value for a given contact, by default is 0=0.420   SWITCH174The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  THR128-CB   ASP214-CG 
ATOMS175the atoms involved in each of the contacts you wish to calculate=1612,2965   REFERENCE175A reference value for a given contact, by default is 0=0.467   SWITCH175The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  THR128-CB   LYS215-CE 
ATOMS176the atoms involved in each of the contacts you wish to calculate=1643,2978   REFERENCE176A reference value for a given contact, by default is 0=0.591   SWITCH176The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  SER130-CB   VAL216-CB 
ATOMS177the atoms involved in each of the contacts you wish to calculate=1643,3253   REFERENCE177A reference value for a given contact, by default is 0=0.748   SWITCH177The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  SER130-CB   LYS234-CE 
ATOMS178the atoms involved in each of the contacts you wish to calculate=1669,2202   REFERENCE178A reference value for a given contact, by default is 0=0.934   SWITCH178The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ASN132-CG   GLU166-CD 
ATOMS179the atoms involved in each of the contacts you wish to calculate=1769,1837   REFERENCE179A reference value for a given contact, by default is 0=0.599   SWITCH179The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU139-CG   GLY144-CA 
ATOMS180the atoms involved in each of the contacts you wish to calculate=1769,1846   REFERENCE180A reference value for a given contact, by default is 0=0.598   SWITCH180The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU139-CG   PRO145-CG 
ATOMS181the atoms involved in each of the contacts you wish to calculate=1769,2120   REFERENCE181A reference value for a given contact, by default is 0=0.410   SWITCH181The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU139-CG   LEU162-CG 
ATOMS182the atoms involved in each of the contacts you wish to calculate=1769,2180   REFERENCE182A reference value for a given contact, by default is 0=0.410   SWITCH182The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU139-CG   TRP165-CE2
ATOMS183the atoms involved in each of the contacts you wish to calculate=1819,1900   REFERENCE183A reference value for a given contact, by default is 0=0.377   SWITCH183The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ILE142-CG1  LEU148-CG 
ATOMS184the atoms involved in each of the contacts you wish to calculate=1837,2180   REFERENCE184A reference value for a given contact, by default is 0=0.734   SWITCH184The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLY144-CA   TRP165-CE2
ATOMS185the atoms involved in each of the contacts you wish to calculate=1846,2120   REFERENCE185A reference value for a given contact, by default is 0=0.787   SWITCH185The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  PRO145-CG   LEU162-CG 
ATOMS186the atoms involved in each of the contacts you wish to calculate=1846,2180   REFERENCE186A reference value for a given contact, by default is 0=0.847   SWITCH186The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  PRO145-CG   TRP165-CE2
ATOMS187the atoms involved in each of the contacts you wish to calculate=1900,2120   REFERENCE187A reference value for a given contact, by default is 0=0.500   SWITCH187The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU148-CG   LEU162-CG 
ATOMS188the atoms involved in each of the contacts you wish to calculate=1963,2037   REFERENCE188A reference value for a given contact, by default is 0=0.578   SWITCH188The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU152-CG   ASP157-CG 
ATOMS189the atoms involved in each of the contacts you wish to calculate=1963,2079   REFERENCE189A reference value for a given contact, by default is 0=0.657   SWITCH189The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU152-CG   THR160-CB 
ATOMS190the atoms involved in each of the contacts you wish to calculate=1982,2049   REFERENCE190A reference value for a given contact, by default is 0=0.766   SWITCH190The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  HID153-CG   HID158-CG 
ATOMS191the atoms involved in each of the contacts you wish to calculate=2016,2525   REFERENCE191A reference value for a given contact, by default is 0=0.542   SWITCH191The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  MET155-SD   THR189-CB 
ATOMS192the atoms involved in each of the contacts you wish to calculate=2016,2607   REFERENCE192A reference value for a given contact, by default is 0=0.763   SWITCH192The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  MET155-SD   LEU193-CG 
ATOMS193the atoms involved in each of the contacts you wish to calculate=2016,2681   REFERENCE193A reference value for a given contact, by default is 0=0.791   SWITCH193The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  MET155-SD   LEU198-CG 
ATOMS194the atoms involved in each of the contacts you wish to calculate=2025,2591   REFERENCE194A reference value for a given contact, by default is 0=0.536   SWITCH194The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLY156-CA   LYS192-CE 
ATOMS195the atoms involved in each of the contacts you wish to calculate=2037,2472   REFERENCE195A reference value for a given contact, by default is 0=0.651   SWITCH195The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ASP157-CG   ALA185-CA 
ATOMS196the atoms involved in each of the contacts you wish to calculate=2037,2525   REFERENCE196A reference value for a given contact, by default is 0=0.758   SWITCH196The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ASP157-CG   THR189-CB 
ATOMS197the atoms involved in each of the contacts you wish to calculate=2063,2436   REFERENCE197A reference value for a given contact, by default is 0=0.511   SWITCH197The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  VAL159-CB   THR182-CB 
ATOMS198the atoms involved in each of the contacts you wish to calculate=2063,2472   REFERENCE198A reference value for a given contact, by default is 0=0.625   SWITCH198The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  VAL159-CB   ALA185-CA 
ATOMS199the atoms involved in each of the contacts you wish to calculate=2079,2422   REFERENCE199A reference value for a given contact, by default is 0=0.843   SWITCH199The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  THR160-CB   THR181-CB 
ATOMS200the atoms involved in each of the contacts you wish to calculate=2104,2363   REFERENCE200A reference value for a given contact, by default is 0=0.374   SWITCH200The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ARG161-CZ   GLU177-CD 
ATOMS201the atoms involved in each of the contacts you wish to calculate=2120,2243   REFERENCE201A reference value for a given contact, by default is 0=0.431   SWITCH201The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU162-CG   LEU169-CG 
ATOMS202the atoms involved in each of the contacts you wish to calculate=2120,2399   REFERENCE202A reference value for a given contact, by default is 0=0.707   SWITCH202The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU162-CG   ASP179-CG 
ATOMS203the atoms involved in each of the contacts you wish to calculate=2139,2399   REFERENCE203A reference value for a given contact, by default is 0=0.687   SWITCH203The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ASP163-CG   ASP179-CG 
ATOMS204the atoms involved in each of the contacts you wish to calculate=2159,2279   REFERENCE204A reference value for a given contact, by default is 0=0.816   SWITCH204The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ARG164-CZ   GLU171-CD 
ATOMS205the atoms involved in each of the contacts you wish to calculate=2159,2348   REFERENCE205A reference value for a given contact, by default is 0=0.479   SWITCH205The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ARG164-CZ   ASP176-CG 
ATOMS206the atoms involved in each of the contacts you wish to calculate=2159,2383   REFERENCE206A reference value for a given contact, by default is 0=0.904   SWITCH206The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ARG164-CZ   ARG178-CZ 
ATOMS207the atoms involved in each of the contacts you wish to calculate=2159,2399   REFERENCE207A reference value for a given contact, by default is 0=0.736   SWITCH207The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ARG164-CZ   ASP179-CG 
ATOMS208the atoms involved in each of the contacts you wish to calculate=2243,2399   REFERENCE208A reference value for a given contact, by default is 0=0.631   SWITCH208The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU169-CG   ASP179-CG 
ATOMS209the atoms involved in each of the contacts you wish to calculate=2262,3292   REFERENCE209A reference value for a given contact, by default is 0=0.726   SWITCH209The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ASN170-CG   GLY238-CA 
ATOMS210the atoms involved in each of the contacts you wish to calculate=2279,3307   REFERENCE210A reference value for a given contact, by default is 0=0.383   SWITCH210The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLU171-CD   GLU240-CD 
ATOMS211the atoms involved in each of the contacts you wish to calculate=2286,3347   REFERENCE211A reference value for a given contact, by default is 0=0.464   SWITCH211The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA172-CA   SER243-CB 
ATOMS212the atoms involved in each of the contacts you wish to calculate=2304,2383   REFERENCE212A reference value for a given contact, by default is 0=0.375   SWITCH212The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ILE173-CG1  ARG178-CZ 
ATOMS213the atoms involved in each of the contacts you wish to calculate=2304,3327   REFERENCE213A reference value for a given contact, by default is 0=0.538   SWITCH213The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ILE173-CG1  ARG241-CZ 
ATOMS214the atoms involved in each of the contacts you wish to calculate=2317,3327   REFERENCE214A reference value for a given contact, by default is 0=0.716   SWITCH214The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  PRO174-CG   ARG241-CZ 
ATOMS215the atoms involved in each of the contacts you wish to calculate=2422,2490   REFERENCE215A reference value for a given contact, by default is 0=0.528   SWITCH215The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  THR181-CB   MET186-SD 
ATOMS216the atoms involved in each of the contacts you wish to calculate=2450,3612   REFERENCE216A reference value for a given contact, by default is 0=0.488   SWITCH216The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  PRO183-CG   VAL262-CB 
ATOMS217the atoms involved in each of the contacts you wish to calculate=2450,3650   REFERENCE217A reference value for a given contact, by default is 0=0.552   SWITCH217The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  PRO183-CG   TYR264-CG 
ATOMS218the atoms involved in each of the contacts you wish to calculate=2490,3414   REFERENCE218A reference value for a given contact, by default is 0=0.603   SWITCH218The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  MET186-SD   ILE247-CG1
ATOMS219the atoms involved in each of the contacts you wish to calculate=2499,3583   REFERENCE219A reference value for a given contact, by default is 0=0.452   SWITCH219The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA187-CA   ILE260-CG1
ATOMS220the atoms involved in each of the contacts you wish to calculate=2499,3612   REFERENCE220A reference value for a given contact, by default is 0=0.632   SWITCH220The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA187-CA   VAL262-CB 
ATOMS221the atoms involved in each of the contacts you wish to calculate=2542,2908   REFERENCE221A reference value for a given contact, by default is 0=0.566   SWITCH221The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU190-CG   MET211-SD 
ATOMS222the atoms involved in each of the contacts you wish to calculate=2542,3414   REFERENCE222A reference value for a given contact, by default is 0=0.535   SWITCH222The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU190-CG   ILE247-CG1
ATOMS223the atoms involved in each of the contacts you wish to calculate=2542,3583   REFERENCE223A reference value for a given contact, by default is 0=0.745   SWITCH223The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU190-CG   ILE260-CG1
ATOMS224the atoms involved in each of the contacts you wish to calculate=2607,2681   REFERENCE224A reference value for a given contact, by default is 0=0.496   SWITCH224The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU193-CG   LEU198-CG 
ATOMS225the atoms involved in each of the contacts you wish to calculate=2607,2700   REFERENCE225A reference value for a given contact, by default is 0=0.422   SWITCH225The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU193-CG   LEU199-CG 
ATOMS226the atoms involved in each of the contacts you wish to calculate=2626,2831   REFERENCE226A reference value for a given contact, by default is 0=0.491   SWITCH226The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU194-CG   LEU207-CG 
ATOMS227the atoms involved in each of the contacts you wish to calculate=2626,2853   REFERENCE227A reference value for a given contact, by default is 0=0.800   SWITCH227The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU194-CG   ILE208-CG1
ATOMS228the atoms involved in each of the contacts you wish to calculate=2626,2908   REFERENCE228A reference value for a given contact, by default is 0=0.613   SWITCH228The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU194-CG   MET211-SD 
ATOMS229the atoms involved in each of the contacts you wish to calculate=2654,2781   REFERENCE229A reference value for a given contact, by default is 0=0.606   SWITCH229The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLY196-CA   ARG204-CZ 
ATOMS230the atoms involved in each of the contacts you wish to calculate=2908,3219   REFERENCE230A reference value for a given contact, by default is 0=0.496   SWITCH230The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  MET211-SD   ALA232-CA 
ATOMS231the atoms involved in each of the contacts you wish to calculate=2908,3414   REFERENCE231A reference value for a given contact, by default is 0=0.432   SWITCH231The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  MET211-SD   ILE247-CG1
ATOMS232the atoms involved in each of the contacts you wish to calculate=2925,3185   REFERENCE232A reference value for a given contact, by default is 0=0.635   SWITCH232The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLU212-CD   PHE230-CG 
ATOMS233the atoms involved in each of the contacts you wish to calculate=2925,3219   REFERENCE233A reference value for a given contact, by default is 0=0.437   SWITCH233The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLU212-CD   ALA232-CA 
ATOMS234the atoms involved in each of the contacts you wish to calculate=2932,3074   REFERENCE234A reference value for a given contact, by default is 0=0.413   SWITCH234The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA213-CA   ARG222-CZ 
ATOMS235the atoms involved in each of the contacts you wish to calculate=2947,3074   REFERENCE235A reference value for a given contact, by default is 0=0.567   SWITCH235The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ASP214-CG   ARG222-CZ 
ATOMS236the atoms involved in each of the contacts you wish to calculate=2947,3234   REFERENCE236A reference value for a given contact, by default is 0=0.806   SWITCH236The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ASP214-CG   ASH233-CG 
ATOMS237the atoms involved in each of the contacts you wish to calculate=2947,3253   REFERENCE237A reference value for a given contact, by default is 0=0.409   SWITCH237The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ASP214-CG   LYS234-CE 
ATOMS238the atoms involved in each of the contacts you wish to calculate=2947,3266   REFERENCE238A reference value for a given contact, by default is 0=0.402   SWITCH238The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ASP214-CG   SER235-CB 
ATOMS239the atoms involved in each of the contacts you wish to calculate=2992,3234   REFERENCE239A reference value for a given contact, by default is 0=0.466   SWITCH239The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA217-CA   ASH233-CG 
ATOMS240the atoms involved in each of the contacts you wish to calculate=2992,3266   REFERENCE240A reference value for a given contact, by default is 0=0.750   SWITCH240The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA217-CA   SER235-CB 
ATOMS241the atoms involved in each of the contacts you wish to calculate=3011,3826   REFERENCE241A reference value for a given contact, by default is 0=0.845   SWITCH241The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  PRO219-CG   ASN276-CG 
ATOMS242the atoms involved in each of the contacts you wish to calculate=3028,3266   REFERENCE242A reference value for a given contact, by default is 0=0.661   SWITCH242The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU220-CG   SER235-CB 
ATOMS243the atoms involved in each of the contacts you wish to calculate=3028,3369   REFERENCE243A reference value for a given contact, by default is 0=0.759   SWITCH243The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU220-CG   ARG244-CZ 
ATOMS244the atoms involved in each of the contacts you wish to calculate=3028,3395   REFERENCE244A reference value for a given contact, by default is 0=0.478   SWITCH244The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU220-CG   ILE246-CG1
ATOMS245the atoms involved in each of the contacts you wish to calculate=3028,3826   REFERENCE245A reference value for a given contact, by default is 0=0.676   SWITCH245The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU220-CG   ASN276-CG 
ATOMS246the atoms involved in each of the contacts you wish to calculate=3028,3884   REFERENCE246A reference value for a given contact, by default is 0=0.441   SWITCH246The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU220-CG   ILE279-CG1
ATOMS247the atoms involved in each of the contacts you wish to calculate=3047,3395   REFERENCE247A reference value for a given contact, by default is 0=0.720   SWITCH247The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU221-CG   ILE246-CG1
ATOMS248the atoms involved in each of the contacts you wish to calculate=3047,3596   REFERENCE248A reference value for a given contact, by default is 0=0.420   SWITCH248The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU221-CG   VAL261-CB 
ATOMS249the atoms involved in each of the contacts you wish to calculate=3047,3634   REFERENCE249A reference value for a given contact, by default is 0=0.394   SWITCH249The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU221-CG   ILE263-CG1
ATOMS250the atoms involved in each of the contacts you wish to calculate=3047,3939   REFERENCE250A reference value for a given contact, by default is 0=0.623   SWITCH250The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU221-CG   GLY283-CA 
ATOMS251the atoms involved in each of the contacts you wish to calculate=3074,3208   REFERENCE251A reference value for a given contact, by default is 0=0.636   SWITCH251The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ARG222-CZ   ILE231-CG1
ATOMS252the atoms involved in each of the contacts you wish to calculate=3074,3219   REFERENCE252A reference value for a given contact, by default is 0=0.488   SWITCH252The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ARG222-CZ   ALA232-CA 
ATOMS253the atoms involved in each of the contacts you wish to calculate=3074,3234   REFERENCE253A reference value for a given contact, by default is 0=0.871   SWITCH253The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ARG222-CZ   ASH233-CG 
ATOMS254the atoms involved in each of the contacts you wish to calculate=3087,3895   REFERENCE254A reference value for a given contact, by default is 0=0.388   SWITCH254The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  SER223-CB   ALA280-CA 
ATOMS255the atoms involved in each of the contacts you wish to calculate=3096,3939   REFERENCE255A reference value for a given contact, by default is 0=0.395   SWITCH255The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA224-CA   GLY283-CA 
ATOMS256the atoms involved in each of the contacts you wish to calculate=3096,3946   REFERENCE256A reference value for a given contact, by default is 0=0.639   SWITCH256The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA224-CA   ALA284-CA 
ATOMS257the atoms involved in each of the contacts you wish to calculate=3096,3994   REFERENCE257A reference value for a given contact, by default is 0=0.542   SWITCH257The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA224-CA   ILE287-CG1
ATOMS258the atoms involved in each of the contacts you wish to calculate=3111,3208   REFERENCE258A reference value for a given contact, by default is 0=0.491   SWITCH258The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU225-CG   ILE231-CG1
ATOMS259the atoms involved in each of the contacts you wish to calculate=3127,3994   REFERENCE259A reference value for a given contact, by default is 0=0.632   SWITCH259The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  PRO226-CG   ILE287-CG1
ATOMS260the atoms involved in each of the contacts you wish to calculate=3149,3497   REFERENCE260A reference value for a given contact, by default is 0=0.389   SWITCH260The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLY228-CA   GLY255-CA 
ATOMS261the atoms involved in each of the contacts you wish to calculate=3166,3464   REFERENCE261A reference value for a given contact, by default is 0=0.534   SWITCH261The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  TRP229-CE2  GLY251-CA 
ATOMS262the atoms involved in each of the contacts you wish to calculate=3166,3473   REFERENCE262A reference value for a given contact, by default is 0=0.762   SWITCH262The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  TRP229-CE2  PRO252-CG 
ATOMS263the atoms involved in each of the contacts you wish to calculate=3166,4054   REFERENCE263A reference value for a given contact, by default is 0=0.415   SWITCH263The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  TRP229-CE2  TRP290-CE2
ATOMS264the atoms involved in each of the contacts you wish to calculate=3185,3464   REFERENCE264A reference value for a given contact, by default is 0=0.389   SWITCH264The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  PHE230-CG   GLY251-CA 
ATOMS265the atoms involved in each of the contacts you wish to calculate=3185,3497   REFERENCE265A reference value for a given contact, by default is 0=0.696   SWITCH265The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  PHE230-CG   GLY255-CA 
ATOMS266the atoms involved in each of the contacts you wish to calculate=3185,3528   REFERENCE266A reference value for a given contact, by default is 0=0.688   SWITCH266The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  PHE230-CG   PRO257-CG 
ATOMS267the atoms involved in each of the contacts you wish to calculate=3208,3425   REFERENCE267A reference value for a given contact, by default is 0=0.560   SWITCH267The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ILE231-CG1  ALA248-CA 
ATOMS268the atoms involved in each of the contacts you wish to calculate=3208,3435   REFERENCE268A reference value for a given contact, by default is 0=0.431   SWITCH268The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ILE231-CG1  ALA249-CA 
ATOMS269the atoms involved in each of the contacts you wish to calculate=3208,3450   REFERENCE269A reference value for a given contact, by default is 0=0.597   SWITCH269The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ILE231-CG1  LEU250-CG 
ATOMS270the atoms involved in each of the contacts you wish to calculate=3219,3425   REFERENCE270A reference value for a given contact, by default is 0=0.459   SWITCH270The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA232-CA   ALA248-CA 
ATOMS271the atoms involved in each of the contacts you wish to calculate=3219,3435   REFERENCE271A reference value for a given contact, by default is 0=0.515   SWITCH271The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA232-CA   ALA249-CA 
ATOMS272the atoms involved in each of the contacts you wish to calculate=3234,3395   REFERENCE272A reference value for a given contact, by default is 0=0.687   SWITCH272The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ASH233-CG   ILE246-CG1
ATOMS273the atoms involved in each of the contacts you wish to calculate=3234,3425   REFERENCE273A reference value for a given contact, by default is 0=0.488   SWITCH273The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ASH233-CG   ALA248-CA 
ATOMS274the atoms involved in each of the contacts you wish to calculate=3266,3369   REFERENCE274A reference value for a given contact, by default is 0=0.673   SWITCH274The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  SER235-CB   ARG244-CZ 
ATOMS275the atoms involved in each of the contacts you wish to calculate=3266,3380   REFERENCE275A reference value for a given contact, by default is 0=0.386   SWITCH275The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  SER235-CB   GLY245-CA 
ATOMS276the atoms involved in each of the contacts you wish to calculate=3266,3395   REFERENCE276A reference value for a given contact, by default is 0=0.798   SWITCH276The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  SER235-CB   ILE246-CG1
ATOMS277the atoms involved in each of the contacts you wish to calculate=3275,3369   REFERENCE277A reference value for a given contact, by default is 0=0.530   SWITCH277The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLY236-CA   ARG244-CZ 
ATOMS278the atoms involved in each of the contacts you wish to calculate=3275,3380   REFERENCE278A reference value for a given contact, by default is 0=0.568   SWITCH278The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLY236-CA   GLY245-CA 
ATOMS279the atoms involved in each of the contacts you wish to calculate=3282,3347   REFERENCE279A reference value for a given contact, by default is 0=0.498   SWITCH279The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA237-CA   SER243-CB 
ATOMS280the atoms involved in each of the contacts you wish to calculate=3282,3369   REFERENCE280A reference value for a given contact, by default is 0=0.608   SWITCH280The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA237-CA   ARG244-CZ 
ATOMS281the atoms involved in each of the contacts you wish to calculate=3282,3761   REFERENCE281A reference value for a given contact, by default is 0=0.442   SWITCH281The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA237-CA   MET272-SD 
ATOMS282the atoms involved in each of the contacts you wish to calculate=3292,3347   REFERENCE282A reference value for a given contact, by default is 0=0.868   SWITCH282The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLY238-CA   SER243-CB 
ATOMS283the atoms involved in each of the contacts you wish to calculate=3338,3694   REFERENCE283A reference value for a given contact, by default is 0=0.593   SWITCH283The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLY242-CA   GLY267-CA 
ATOMS284the atoms involved in each of the contacts you wish to calculate=3338,3703   REFERENCE284A reference value for a given contact, by default is 0=0.679   SWITCH284The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLY242-CA   SER268-CB 
ATOMS285the atoms involved in each of the contacts you wish to calculate=3338,3810   REFERENCE285A reference value for a given contact, by default is 0=0.879   SWITCH285The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLY242-CA   ARG275-CZ 
ATOMS286the atoms involved in each of the contacts you wish to calculate=3347,3682   REFERENCE286A reference value for a given contact, by default is 0=0.811   SWITCH286The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  SER243-CB   THR266-CB 
ATOMS287the atoms involved in each of the contacts you wish to calculate=3369,3761   REFERENCE287A reference value for a given contact, by default is 0=0.848   SWITCH287The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ARG244-CZ   MET272-SD 
ATOMS288the atoms involved in each of the contacts you wish to calculate=3369,3826   REFERENCE288A reference value for a given contact, by default is 0=0.793   SWITCH288The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ARG244-CZ   ASN276-CG 
ATOMS289the atoms involved in each of the contacts you wish to calculate=3380,3650   REFERENCE289A reference value for a given contact, by default is 0=0.711   SWITCH289The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLY245-CA   TYR264-CG 
ATOMS290the atoms involved in each of the contacts you wish to calculate=3380,3884   REFERENCE290A reference value for a given contact, by default is 0=0.436   SWITCH290The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLY245-CA   ILE279-CG1
ATOMS291the atoms involved in each of the contacts you wish to calculate=3425,3583   REFERENCE291A reference value for a given contact, by default is 0=0.401   SWITCH291The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA248-CA   ILE260-CG1
ATOMS292the atoms involved in each of the contacts you wish to calculate=3425,3596   REFERENCE292A reference value for a given contact, by default is 0=0.531   SWITCH292The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA248-CA   VAL261-CB 
ATOMS293the atoms involved in each of the contacts you wish to calculate=3435,3528   REFERENCE293A reference value for a given contact, by default is 0=0.436   SWITCH293The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA249-CA   PRO257-CG 
ATOMS294the atoms involved in each of the contacts you wish to calculate=3435,3583   REFERENCE294A reference value for a given contact, by default is 0=0.819   SWITCH294The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA249-CA   ILE260-CG1
ATOMS295the atoms involved in each of the contacts you wish to calculate=3450,3596   REFERENCE295A reference value for a given contact, by default is 0=0.431   SWITCH295The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  LEU250-CG   VAL261-CB 
ATOMS296the atoms involved in each of the contacts you wish to calculate=3464,3542   REFERENCE296A reference value for a given contact, by default is 0=0.702   SWITCH296The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLY251-CA   SER258-CB 
ATOMS297the atoms involved in each of the contacts you wish to calculate=3464,4054   REFERENCE297A reference value for a given contact, by default is 0=0.683   SWITCH297The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  GLY251-CA   TRP290-CE2
ATOMS298the atoms involved in each of the contacts you wish to calculate=3473,3542   REFERENCE298A reference value for a given contact, by default is 0=0.441   SWITCH298The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  PRO252-CG   SER258-CB 
ATOMS299the atoms involved in each of the contacts you wish to calculate=3473,4054   REFERENCE299A reference value for a given contact, by default is 0=0.707   SWITCH299The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  PRO252-CG   TRP290-CE2
ATOMS300the atoms involved in each of the contacts you wish to calculate=3542,4054   REFERENCE300A reference value for a given contact, by default is 0=0.490   SWITCH300The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  SER258-CB   TRP290-CE2
ATOMS301the atoms involved in each of the contacts you wish to calculate=3564,4054   REFERENCE301A reference value for a given contact, by default is 0=0.913   SWITCH301The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ARG259-CZ   TRP290-CE2
ATOMS302the atoms involved in each of the contacts you wish to calculate=3596,3972   REFERENCE302A reference value for a given contact, by default is 0=0.446   SWITCH302The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  VAL261-CB   LEU286-CG 
ATOMS303the atoms involved in each of the contacts you wish to calculate=3634,3884   REFERENCE303A reference value for a given contact, by default is 0=0.465   SWITCH303The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ILE263-CG1  ILE279-CG1
ATOMS304the atoms involved in each of the contacts you wish to calculate=3634,3928   REFERENCE304A reference value for a given contact, by default is 0=0.426   SWITCH304The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ILE263-CG1  ILE282-CG1
ATOMS305the atoms involved in each of the contacts you wish to calculate=3729,3810   REFERENCE305A reference value for a given contact, by default is 0=0.454   SWITCH305The switching functions to use for each of the contacts in your map={RATIONAL R_0=0.55 D_0=0.00 NN=6 MM=12}  #  ALA270-CA   ARG275-CZ 
LABELa label for the action so that its output can be referenced in the input to other actions=cmapThe CONTACTMAP action with label cmap calculates the following quantities:
 Quantity   
 Type   
 Description  
cmap
scalar
the sum of all the switching function on all the distances
CMDIST calculate the distance with respect to the provided reference contact map
... CONTACTMAP
# --- End of included input --- WHOLEMOLECULESThis action is used to rebuild molecules that can become split by the periodic boundary conditions. More details STRIDE the frequency with which molecules are reassembled=1 ENTITY0the atoms that make up a molecule that you wish to align=1-4066
uwallThe UPPER_WALLS action with label uwall calculates the following quantities:
 Quantity   
 Type   
 Description  
uwall.bias
scalar
the instantaneous value of the bias potential
uwall.force2
scalar
the instantaneous value of the squared force due to this bias potential: UPPER_WALLSDefines a wall for the value of one or more collective variables, More details ARGthe arguments on which the bias is acting=cmap ATthe positions of the wall=30 KAPPAthe force constant for the wall=500.0 EXP the powers for the walls=2 EPS the values for s_i in the expression for a wall=1 # Upper Wall (restraint_4_swish)
#################################
######### DEFINE_OPES_EXPANDED ###
##################################
eneThe ENERGY action with label ene calculates the following quantities:
 Quantity   
 Type   
 Description  
ene
scalar
the internal energy: ENERGYCalculate the total potential energy of the simulation box. More details
ecvThe ECV_MULTITHERMAL action with label ecv calculates the following quantities:
 Quantity   
 Type   
 Description  
ecv.ene
scalar
the value of the argument named ene: ECV_MULTITHERMALExpand a simulation to sample multiple temperatures simultaneously. This action has hidden defaults. More details ARGthe label of the internal energy of the system=ene TEMP_MAXthe maximum of the temperature range=350
ecv: ECV_MULTITHERMALExpand a simulation to sample multiple temperatures simultaneously. This action uses the defaults shown here. More details ARGthe label of the internal energy of the system=ene TEMP_MAXthe maximum of the temperature range=350  TEMP temperature=-1
opesXThe OPES_EXPANDED action with label opesX calculates the following quantities:
 Quantity   
 Type   
 Description  
opesX.bias
scalar
the instantaneous value of the bias potential: OPES_EXPANDEDOn-the-fly probability enhanced sampling with expanded ensembles for the target distribution. This action has hidden defaults. More details ARGthe label of the ECVs that define the expansion=ecv.* FILE a file with the estimate of the relative Delta F for each component of the target and of the global c(t)=DeltaFs.data PACEhow often the bias is updated=5000
opesX: OPES_EXPANDEDOn-the-fly probability enhanced sampling with expanded ensembles for the target distribution. This action uses the defaults shown here. More details ARGthe label of the ECVs that define the expansion=ecv.* FILE a file with the estimate of the relative Delta F for each component of the target and of the global c(t)=DeltaFs.data PACEhow often the bias is updated=5000  OBSERVATION_STEPS number of unbiased initial PACE steps to collect statistics for initialization=100 PRINT_STRIDE stride for printing to DELTAFS file, in units of PACE=100

PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=* STRIDE the frequency with which the quantities of interest should be output=1000 FILEthe name of the file on which to output these quantities=COLVAR FMTthe format that should be used to output real numbers=%8.4f