
        DelPhi Parameters

        igrid       = 121
        scale       = 4
        perfil      = 0

        repsin  = 2.0
        repsout = 80.0
        conc    = 0.1
        ibctyp  = 4
        res2    = 0.01
        nlit    = 500

        acent  = [56.21, 111.41, 5.36]
        natoms = 16618
        in_crg = DataBaseT.crg
        in_siz = DataBaseT.siz
        in_pdb = P.pdb

        radprb  = 1.4
        energy  = ['s', 'c']
        site    = ['a', 'q', 'p']
        in_crg_len = 13
        in_siz_len = 13
        in_pdb_len = 5

        relfac = 0.2
        relpar = 0.2
        nonit  = 50
        fcrg   = False
        pbx    = True
        pby    = True
        pbz    = False

        precision  = single
        float_type = <class 'ctypes.c_float'>
        isurftype  = -1
        parallel   = False
        debug      = False

        
   
 loading variables time was (sec)    0.00000000    
   
 realsiz ==            4
 igrid     ->            0                  121
 scale     ->    10000.0000       1.0000000000000000     
 repsin    ->    2.00000000       2.0000000000000000     
 repsout   ->    80.0000000       80.000000000000000     
 radprb(1) ->    1.39999998       1.3999999999999999     
 conc(1)   ->    0.00000000      0.10000000000000001     
 ibctyp    ->            2                    4
 res2      ->    0.00000000       1.0000000000000000E-002
 nlit      ->            0                  500
 nnit      ->            0                   50
 py_relfac ->   0.997500002      0.20000000000000001     
 py_relpar ->    1.00000000      0.20000000000000001     
 py_pbx    ->  F T
 py_pby    ->  F T
 py_acent  > (   0.00000000       0.00000000       0.00000000     ) (   56.210000000000001        111.41000000000000        5.3600000000000003      )
 energy      -> sc
 sites -> aqp
 natom ->                 16618
 nmedia ->                     1
 nobject ->                     1
 Direct mapping of epsilon: (0/1)(n/y)           1
 time to read in and/or assign rad/chrg=   1.16037202    
 object number :              1 ,  is a molecule
 cmin  -6.57100010       32.2140007      -32.4620018    
 cmax   118.992004       190.621002       43.1920013    
 Debye Lengths contained in the finite diff. box  -3.95860910    
   
 grid size                  :         121
 percent of box to be filled:   132.018326    
 scale,in grids/A :   1.00000000    
 xmin,xmax     (A):  -6.57100010       118.992004    
 ymin,ymax     (A):   32.2140007       190.621002    
 zmin,zmax     (A):  -32.4620018       43.1920013    
 x,y,z range   (A):    125.563004       158.406998       75.6540070    
 system geometric center in (A):   56.2105026       111.417503       5.36499977    
  grid  box is centered in (A) :   56.2099991       111.410004       5.36000013    
 object centre offset (gu)  :   0.00000000       0.00000000       0.00000000    
 outer dielectric           :   80.0000000    
 dielectric in medium number           0  :   80.0000000    
 dielectric in medium number           1  :   1.99999988    
 first kind salt concentration (M)   :  0.100000001    
 valences salt 1 are                   1  and           1
 second kind salt concentration (M)  :   0.00000000    
 valences salt 2 are                   0  and           0
 ionic strength (M)         :  0.100000001    
 debye length (A)           :   9.70593166    
 absolute temperature (K)   :   297.334198    
 ion exclusion radius (A)   :   2.00000000    
 probe radius facing water(A:   1.39999998    
 probe radius, internal (A) :   1.39999998    
 boundary conditions        : coulombic   
 x,y,z periodic bc. and volt. drop flags: T T F F F F
 # of linear iterations     :         500
 convergence by rms  change :   0.00000000      kt
 convergence by max  change :   9.99999978E-03  kt
 convergence by norm change :   0.00000000      kt
 # of non-linear iterations :          50
 non-linear energy calculat.: T
 manual relaxation parameter : T
 ionic direct energy contribution: F
 concentration map output   : F
 spherical charge distbn.   : F
 INSIGHT format output      : F
 site potential output      : T
 modified atom file output  : F
 map file label             :
qdiffxas: qdiffxs4 with an improved surfacing routine       
  convergence graph turned off
  potential listings turned off
  
 !!! WARNING: part of system outside the box!
 number of charges coming from molecules        12409
  23  H    ARG     2 is charged! Radius moved from zero to  1.0
  33  H    THR     3 is charged! Radius moved from zero to  1.0
  49  H    LYS     4 is charged! Radius moved from zero to  1.0
  57  H    GLN     5 is charged! Radius moved from zero to  1.0
  58  HE22 GLN     5 is charged! Radius moved from zero to  1.0
  61  HE21 GLN     5 is charged! Radius moved from zero to  1.0
  69  H    THR     6 is charged! Radius moved from zero to  1.0
  78  H    ALA     7 is charged! Radius moved from zero to  1.0
  93  H    ARG     8 is charged! Radius moved from zero to  1.0
 108  H    LYS     9 is charged! Radius moved from zero to  1.0
 115  H    SER    10 is charged! Radius moved from zero to  1.0
 126  H    THR    11 is charged! Radius moved from zero to  1.0
 134  H    GLY    12 is charged! Radius moved from zero to  1.0
 139  H    GLY    13 is charged! Radius moved from zero to  1.0
 152  H    LYS    14 is charged! Radius moved from zero to  1.0
 158  H    ALA    15 is charged! Radius moved from zero to  1.0
 180  H    ARG    17 is charged! Radius moved from zero to  1.0
 195  H    LYS    18 is charged! Radius moved from zero to  1.0
 203  H    GLN    19 is charged! Radius moved from zero to  1.0
 204  HE22 GLN    19 is charged! Radius moved from zero to  1.0
 207  HE21 GLN    19 is charged! Radius moved from zero to  1.0
 216  H    LEU    20 is charged! Radius moved from zero to  1.0
 222  H    ALA    21 is charged! Radius moved from zero to  1.0
 230  H    THR    22 is charged! Radius moved from zero to  1.0
 246  H    LYS    23 is charged! Radius moved from zero to  1.0
 252  H    ALA    24 is charged! Radius moved from zero to  1.0
 258  H    ALA    25 is charged! Radius moved from zero to  1.0
 273  H    ARG    26 is charged! Radius moved from zero to  1.0
 288  H    LYS    27 is charged! Radius moved from zero to  1.0
 295  H    SER    28 is charged! Radius moved from zero to  1.0
 304  H    ALA    29 is charged! Radius moved from zero to  1.0
 317  H    ALA    31 is charged! Radius moved from zero to  1.0
 325  H    THR    32 is charged! Radius moved from zero to  1.0
 333  H    GLY    33 is charged! Radius moved from zero to  1.0
 338  H    GLY    34 is charged! Radius moved from zero to  1.0
 346  H    VAL    35 is charged! Radius moved from zero to  1.0
 359  H    LYS    36 is charged! Radius moved from zero to  1.0
 372  H    LYS    37 is charged! Radius moved from zero to  1.0
 386  H    HIS    39 is charged! Radius moved from zero to  1.0
 409  H    ARG    40 is charged! Radius moved from zero to  1.0
 426  H    TYR    41 is charged! Radius moved from zero to  1.0
 445  H    ARG    42 is charged! Radius moved from zero to  1.0
 459  H    GLY    44 is charged! Radius moved from zero to  1.0
 467  H    THR    45 is charged! Radius moved from zero to  1.0
 478  H    VAL    46 is charged! Radius moved from zero to  1.0
 484  H    ALA    47 is charged! Radius moved from zero to  1.0
 493  H    LEU    48 is charged! Radius moved from zero to  1.0
 508  H    ARG    49 is charged! Radius moved from zero to  1.0
 520  H    GLU    50 is charged! Radius moved from zero to  1.0
 533  H    ILE    51 is charged! Radius moved from zero to  1.0
 548  H    ARG    52 is charged! Radius moved from zero to  1.0
 565  H    ARG    53 is charged! Radius moved from zero to  1.0
 582  H    TYR    54 is charged! Radius moved from zero to  1.0
 594  H    GLN    55 is charged! Radius moved from zero to  1.0
 595  HE22 GLN    55 is charged! Radius moved from zero to  1.0
 598  HE21 GLN    55 is charged! Radius moved from zero to  1.0
 611  H    LYS    56 is charged! Radius moved from zero to  1.0
 618  H    SER    57 is charged! Radius moved from zero to  1.0
 629  H    THR    58 is charged! Radius moved from zero to  1.0
 642  H    GLU    59 is charged! Radius moved from zero to  1.0
 655  H    LEU    60 is charged! Radius moved from zero to  1.0
 664  H    LEU    61 is charged! Radius moved from zero to  1.0
 673  H    ILE    62 is charged! Radius moved from zero to  1.0
 688  H    ARG    63 is charged! Radius moved from zero to  1.0
 703  H    LYS    64 is charged! Radius moved from zero to  1.0
 712  H    LEU    65 is charged! Radius moved from zero to  1.0
 734  H    PHE    67 is charged! Radius moved from zero to  1.0
 744  H    GLN    68 is charged! Radius moved from zero to  1.0
 745  HE22 GLN    68 is charged! Radius moved from zero to  1.0
 748  HE21 GLN    68 is charged! Radius moved from zero to  1.0
 763  H    ARG    69 is charged! Radius moved from zero to  1.0
 774  H    LEU    70 is charged! Radius moved from zero to  1.0
 782  H    VAL    71 is charged! Radius moved from zero to  1.0
 797  H    ARG    72 is charged! Radius moved from zero to  1.0
 809  H    GLU    73 is charged! Radius moved from zero to  1.0
 822  H    ILE    74 is charged! Radius moved from zero to  1.0
 828  H    ALA    75 is charged! Radius moved from zero to  1.0
 838  H    GLN    76 is charged! Radius moved from zero to  1.0
 839  HE22 GLN    76 is charged! Radius moved from zero to  1.0
 840  HE21 GLN    76 is charged! Radius moved from zero to  1.0
 849  H    ASP    77 is charged! Radius moved from zero to  1.0
 868  H    PHE    78 is charged! Radius moved from zero to  1.0
 883  H    LYS    79 is charged! Radius moved from zero to  1.0
 891  H    THR    80 is charged! Radius moved from zero to  1.0
 903  H    ASP    81 is charged! Radius moved from zero to  1.0
 916  H    LEU    82 is charged! Radius moved from zero to  1.0
 931  H    ARG    83 is charged! Radius moved from zero to  1.0
 948  H    PHE    84 is charged! Radius moved from zero to  1.0
 958  H    GLN    85 is charged! Radius moved from zero to  1.0
 959  HE22 GLN    85 is charged! Radius moved from zero to  1.0
 962  HE21 GLN    85 is charged! Radius moved from zero to  1.0
 969  H    SER    86 is charged! Radius moved from zero to  1.0
 979  H    SER    87 is charged! Radius moved from zero to  1.0
 988  H    ALA    88 is charged! Radius moved from zero to  1.0
 996  H    VAL    89 is charged! Radius moved from zero to  1.0
1005  H    MET    90 is charged! Radius moved from zero to  1.0
1011  H    ALA    91 is charged! Radius moved from zero to  1.0
1020  H    LEU    92 is charged! Radius moved from zero to  1.0
1028  H    GLN    93 is charged! Radius moved from zero to  1.0
1029  HE22 GLN    93 is charged! Radius moved from zero to  1.0
1032  HE21 GLN    93 is charged! Radius moved from zero to  1.0
1042  H    GLU    94 is charged! Radius moved from zero to  1.0
1052  H    ALA    95 is charged! Radius moved from zero to  1.0
1059  H    SER    96 is charged! Radius moved from zero to  1.0
1072  H    GLU    97 is charged! Radius moved from zero to  1.0
1082  H    ALA    98 is charged! Radius moved from zero to  1.0
1097  H    TYR    99 is charged! Radius moved from zero to  1.0
1110  H    LEU   100 is charged! Radius moved from zero to  1.0
1118  H    VAL   101 is charged! Radius moved from zero to  1.0
1124  H    ALA   102 is charged! Radius moved from zero to  1.0
1133  H    LEU   103 is charged! Radius moved from zero to  1.0
1148  H    PHE   104 is charged! Radius moved from zero to  1.0
1160  H    GLU   105 is charged! Radius moved from zero to  1.0
1173  H    ASP   106 is charged! Radius moved from zero to  1.0
1185  H    THR   107 is charged! Radius moved from zero to  1.0
1195  H    ASN   108 is charged! Radius moved from zero to  1.0
1198  HD22 ASN   108 is charged! Radius moved from zero to  1.0
1199  HD21 ASN   108 is charged! Radius moved from zero to  1.0
1208  H    LEU   109 is charged! Radius moved from zero to  1.0
1215  H    CYS   110 is charged! Radius moved from zero to  1.0
1222  H    ALA   111 is charged! Radius moved from zero to  1.0
1231  H    ILE   112 is charged! Radius moved from zero to  1.0
1245  H    HIS   113 is charged! Radius moved from zero to  1.0
1252  H    ALA   114 is charged! Radius moved from zero to  1.0
1265  H    LYS   115 is charged! Radius moved from zero to  1.0
1280  H    ARG   116 is charged! Radius moved from zero to  1.0
1290  H    VAL   117 is charged! Radius moved from zero to  1.0
1298  H    THR   118 is charged! Radius moved from zero to  1.0
1310  H    ILE   119 is charged! Radius moved from zero to  1.0
1319  H    MET   120 is charged! Radius moved from zero to  1.0
1339  H    LYS   122 is charged! Radius moved from zero to  1.0
1348  H    ASP   123 is charged! Radius moved from zero to  1.0
1361  H    ILE   124 is charged! Radius moved from zero to  1.0
1369  H    GLN   125 is charged! Radius moved from zero to  1.0
1370  HE22 GLN   125 is charged! Radius moved from zero to  1.0
1373  HE21 GLN   125 is charged! Radius moved from zero to  1.0
1382  H    LEU   126 is charged! Radius moved from zero to  1.0
1388  H    ALA   127 is charged! Radius moved from zero to  1.0
1403  H    ARG   128 is charged! Radius moved from zero to  1.0
1420  H    ARG   129 is charged! Radius moved from zero to  1.0
1431  H    ILE   130 is charged! Radius moved from zero to  1.0
1446  H    ARG   131 is charged! Radius moved from zero to  1.0
1453  H    GLY   132 is charged! Radius moved from zero to  1.0
1463  H    GLU   133 is charged! Radius moved from zero to  1.0
1482  H    ARG   134 is charged! Radius moved from zero to  1.0
1491  H    ALA   135 is charged! Radius moved from zero to  1.0
1502  HG   SER   137 is charged! Radius moved from zero to  1.0
1507  H    GLY   138 is charged! Radius moved from zero to  1.0
1522  H    ARG   139 is charged! Radius moved from zero to  1.0
1529  H    GLY   140 is charged! Radius moved from zero to  1.0
1542  H    LYS   141 is charged! Radius moved from zero to  1.0
1547  H    GLY   142 is charged! Radius moved from zero to  1.0
1552  H    GLY   143 is charged! Radius moved from zero to  1.0
1565  H    LYS   144 is charged! Radius moved from zero to  1.0
1570  H    GLY   145 is charged! Radius moved from zero to  1.0
1579  H    LEU   146 is charged! Radius moved from zero to  1.0
1584  H    GLY   147 is charged! Radius moved from zero to  1.0
1597  H    LYS   148 is charged! Radius moved from zero to  1.0
1602  H    GLY   149 is charged! Radius moved from zero to  1.0
1607  H    GLY   150 is charged! Radius moved from zero to  1.0
1613  H    ALA   151 is charged! Radius moved from zero to  1.0
1626  H    LYS   152 is charged! Radius moved from zero to  1.0
1641  H    ARG   153 is charged! Radius moved from zero to  1.0
1650  H    HIS   154 is charged! Radius moved from zero to  1.0
1673  H    ARG   155 is charged! Radius moved from zero to  1.0
1688  H    LYS   156 is charged! Radius moved from zero to  1.0
1696  H    VAL   157 is charged! Radius moved from zero to  1.0
1705  H    LEU   158 is charged! Radius moved from zero to  1.0
1720  H    ARG   159 is charged! Radius moved from zero to  1.0
1731  H    ASP   160 is charged! Radius moved from zero to  1.0
1738  H    ASN   161 is charged! Radius moved from zero to  1.0
1741  HD22 ASN   161 is charged! Radius moved from zero to  1.0
1742  HD21 ASN   161 is charged! Radius moved from zero to  1.0
1751  H    ILE   162 is charged! Radius moved from zero to  1.0
1759  H    GLN   163 is charged! Radius moved from zero to  1.0
1760  HE22 GLN   163 is charged! Radius moved from zero to  1.0
1763  HE21 GLN   163 is charged! Radius moved from zero to  1.0
1768  H    GLY   164 is charged! Radius moved from zero to  1.0
1777  H    ILE   165 is charged! Radius moved from zero to  1.0
1785  H    THR   166 is charged! Radius moved from zero to  1.0
1786  HG1  THR   166 is charged! Radius moved from zero to  1.0
1799  H    LYS   167 is charged! Radius moved from zero to  1.0
1812  H    ALA   169 is charged! Radius moved from zero to  1.0
1821  H    ILE   170 is charged! Radius moved from zero to  1.0
1836  H    ARG   171 is charged! Radius moved from zero to  1.0
1853  H    ARG   172 is charged! Radius moved from zero to  1.0
1864  H    LEU   173 is charged! Radius moved from zero to  1.0
1870  H    ALA   174 is charged! Radius moved from zero to  1.0
1885  H    ARG   175 is charged! Radius moved from zero to  1.0
1902  H    ARG   176 is charged! Radius moved from zero to  1.0
1909  H    GLY   177 is charged! Radius moved from zero to  1.0
1914  H    GLY   178 is charged! Radius moved from zero to  1.0
1922  H    VAL   179 is charged! Radius moved from zero to  1.0
1935  H    LYS   180 is charged! Radius moved from zero to  1.0
1950  H    ARG   181 is charged! Radius moved from zero to  1.0
1961  H    ILE   182 is charged! Radius moved from zero to  1.0
1968  H    SER   183 is charged! Radius moved from zero to  1.0
1969  HG   SER   183 is charged! Radius moved from zero to  1.0
1974  H    GLY   184 is charged! Radius moved from zero to  1.0
1983  H    LEU   185 is charged! Radius moved from zero to  1.0
1992  H    ILE   186 is charged! Radius moved from zero to  1.0
2007  H    TYR   187 is charged! Radius moved from zero to  1.0
2020  H    GLU   188 is charged! Radius moved from zero to  1.0
2030  H    GLU   189 is charged! Radius moved from zero to  1.0
2038  H    THR   190 is charged! Radius moved from zero to  1.0
2039  HG1  THR   190 is charged! Radius moved from zero to  1.0
2054  H    ARG   191 is charged! Radius moved from zero to  1.0
2061  H    GLY   192 is charged! Radius moved from zero to  1.0
2069  H    VAL   193 is charged! Radius moved from zero to  1.0
2078  H    LEU   194 is charged! Radius moved from zero to  1.0
2091  H    LYS   195 is charged! Radius moved from zero to  1.0
2099  H    VAL   196 is charged! Radius moved from zero to  1.0
2114  H    PHE   197 is charged! Radius moved from zero to  1.0
2125  H    LEU   198 is charged! Radius moved from zero to  1.0
2135  H    GLU   199 is charged! Radius moved from zero to  1.0
2142  H    ASN   200 is charged! Radius moved from zero to  1.0
2145  HD22 ASN   200 is charged! Radius moved from zero to  1.0
2146  HD21 ASN   200 is charged! Radius moved from zero to  1.0
2154  H    VAL   201 is charged! Radius moved from zero to  1.0
2163  H    ILE   202 is charged! Radius moved from zero to  1.0
2178  H    ARG   203 is charged! Radius moved from zero to  1.0
2189  H    ASP   204 is charged! Radius moved from zero to  1.0
2195  H    ALA   205 is charged! Radius moved from zero to  1.0
2203  H    VAL   206 is charged! Radius moved from zero to  1.0
2211  H    THR   207 is charged! Radius moved from zero to  1.0
2212  HG1  THR   207 is charged! Radius moved from zero to  1.0
2227  H    TYR   208 is charged! Radius moved from zero to  1.0
2238  H    THR   209 is charged! Radius moved from zero to  1.0
2239  HG1  THR   209 is charged! Radius moved from zero to  1.0
2249  H    GLU   210 is charged! Radius moved from zero to  1.0
2256  H    HIS   211 is charged! Radius moved from zero to  1.0
2270  H    ALA   212 is charged! Radius moved from zero to  1.0
2283  H    LYS   213 is charged! Radius moved from zero to  1.0
2298  H    ARG   214 is charged! Radius moved from zero to  1.0
2313  H    LYS   215 is charged! Radius moved from zero to  1.0
2321  H    THR   216 is charged! Radius moved from zero to  1.0
2322  HG1  THR   216 is charged! Radius moved from zero to  1.0
2330  H    VAL   217 is charged! Radius moved from zero to  1.0
2338  H    THR   218 is charged! Radius moved from zero to  1.0
2339  HG1  THR   218 is charged! Radius moved from zero to  1.0
2345  H    ALA   219 is charged! Radius moved from zero to  1.0
2354  H    MET   220 is charged! Radius moved from zero to  1.0
2363  H    ASP   221 is charged! Radius moved from zero to  1.0
2371  H    VAL   222 is charged! Radius moved from zero to  1.0
2379  H    VAL   223 is charged! Radius moved from zero to  1.0
2394  H    TYR   224 is charged! Radius moved from zero to  1.0
2403  H    ALA   225 is charged! Radius moved from zero to  1.0
2412  H    LEU   226 is charged! Radius moved from zero to  1.0
2425  H    LYS   227 is charged! Radius moved from zero to  1.0
2440  H    ARG   228 is charged! Radius moved from zero to  1.0
2452  H    GLN   229 is charged! Radius moved from zero to  1.0
2453  HE22 GLN   229 is charged! Radius moved from zero to  1.0
2454  HE21 GLN   229 is charged! Radius moved from zero to  1.0
2459  H    GLY   230 is charged! Radius moved from zero to  1.0
2474  H    ARG   231 is charged! Radius moved from zero to  1.0
2484  H    THR   232 is charged! Radius moved from zero to  1.0
2485  HG1  THR   232 is charged! Radius moved from zero to  1.0
2494  H    LEU   233 is charged! Radius moved from zero to  1.0
2509  H    TYR   234 is charged! Radius moved from zero to  1.0
2517  H    GLY   235 is charged! Radius moved from zero to  1.0
2532  H    PHE   236 is charged! Radius moved from zero to  1.0
2539  H    GLY   237 is charged! Radius moved from zero to  1.0
2543  H    GLY   238 is charged! Radius moved from zero to  1.0
2550  HG   SER   273 is charged! Radius moved from zero to  1.0
2555  H    GLY   274 is charged! Radius moved from zero to  1.0
2570  H    ARG   275 is charged! Radius moved from zero to  1.0
2577  H    GLY   276 is charged! Radius moved from zero to  1.0
2590  H    LYS   277 is charged! Radius moved from zero to  1.0
2598  H    GLN   278 is charged! Radius moved from zero to  1.0
2599  HE22 GLN   278 is charged! Radius moved from zero to  1.0
2602  HE21 GLN   278 is charged! Radius moved from zero to  1.0
2607  H    GLY   279 is charged! Radius moved from zero to  1.0
2612  H    GLY   280 is charged! Radius moved from zero to  1.0
2625  H    LYS   281 is charged! Radius moved from zero to  1.0
2633  H    THR   282 is charged! Radius moved from zero to  1.0
2634  HG1  THR   282 is charged! Radius moved from zero to  1.0
2649  H    ARG   283 is charged! Radius moved from zero to  1.0
2657  H    ALA   284 is charged! Radius moved from zero to  1.0
2670  H    LYS   285 is charged! Radius moved from zero to  1.0
2676  H    ALA   286 is charged! Radius moved from zero to  1.0
2689  H    LYS   287 is charged! Radius moved from zero to  1.0
2697  H    THR   288 is charged! Radius moved from zero to  1.0
2698  HG1  THR   288 is charged! Radius moved from zero to  1.0
2713  H    ARG   289 is charged! Radius moved from zero to  1.0
2722  H    SER   290 is charged! Radius moved from zero to  1.0
2723  HG   SER   290 is charged! Radius moved from zero to  1.0
2730  H    SER   291 is charged! Radius moved from zero to  1.0
2731  HG   SER   291 is charged! Radius moved from zero to  1.0
2746  H    ARG   292 is charged! Radius moved from zero to  1.0
2754  H    ALA   293 is charged! Radius moved from zero to  1.0
2759  H    GLY   294 is charged! Radius moved from zero to  1.0
2768  H    LEU   295 is charged! Radius moved from zero to  1.0
2776  H    GLN   296 is charged! Radius moved from zero to  1.0
2777  HE22 GLN   296 is charged! Radius moved from zero to  1.0
2780  HE21 GLN   296 is charged! Radius moved from zero to  1.0
2795  H    PHE   297 is charged! Radius moved from zero to  1.0
2812  H    VAL   299 is charged! Radius moved from zero to  1.0
2817  H    GLY   300 is charged! Radius moved from zero to  1.0
2832  H    ARG   301 is charged! Radius moved from zero to  1.0
2842  H    VAL   302 is charged! Radius moved from zero to  1.0
2856  H    HIS   303 is charged! Radius moved from zero to  1.0
2872  H    ARG   304 is charged! Radius moved from zero to  1.0
2883  H    LEU   305 is charged! Radius moved from zero to  1.0
2892  H    LEU   306 is charged! Radius moved from zero to  1.0
2907  H    ARG   307 is charged! Radius moved from zero to  1.0
2922  H    LYS   308 is charged! Radius moved from zero to  1.0
2927  H    GLY   309 is charged! Radius moved from zero to  1.0
2934  H    ASN   310 is charged! Radius moved from zero to  1.0
2937  HD22 ASN   310 is charged! Radius moved from zero to  1.0
2938  HD21 ASN   310 is charged! Radius moved from zero to  1.0
2953  H    TYR   311 is charged! Radius moved from zero to  1.0
2962  H    ALA   312 is charged! Radius moved from zero to  1.0
2972  H    GLU   313 is charged! Radius moved from zero to  1.0
2987  H    ARG   314 is charged! Radius moved from zero to  1.0
2997  H    VAL   315 is charged! Radius moved from zero to  1.0
3002  H    GLY   316 is charged! Radius moved from zero to  1.0
3008  H    ALA   317 is charged! Radius moved from zero to  1.0
3013  H    GLY   318 is charged! Radius moved from zero to  1.0
3019  H    ALA   319 is charged! Radius moved from zero to  1.0
3034  H    VAL   321 is charged! Radius moved from zero to  1.0
3049  H    TYR   322 is charged! Radius moved from zero to  1.0
3061  H    LEU   323 is charged! Radius moved from zero to  1.0
3067  H    ALA   324 is charged! Radius moved from zero to  1.0
3073  H    ALA   325 is charged! Radius moved from zero to  1.0
3081  H    VAL   326 is charged! Radius moved from zero to  1.0
3090  H    LEU   327 is charged! Radius moved from zero to  1.0
3100  H    GLU   328 is charged! Radius moved from zero to  1.0
3115  H    TYR   329 is charged! Radius moved from zero to  1.0
3127  H    LEU   330 is charged! Radius moved from zero to  1.0
3135  H    THR   331 is charged! Radius moved from zero to  1.0
3136  HG1  THR   331 is charged! Radius moved from zero to  1.0
3142  H    ALA   332 is charged! Radius moved from zero to  1.0
3152  H    GLU   333 is charged! Radius moved from zero to  1.0
3161  H    ILE   334 is charged! Radius moved from zero to  1.0
3170  H    LEU   335 is charged! Radius moved from zero to  1.0
3180  H    GLU   336 is charged! Radius moved from zero to  1.0
3189  H    LEU   337 is charged! Radius moved from zero to  1.0
3195  H    ALA   338 is charged! Radius moved from zero to  1.0
3200  H    GLY   339 is charged! Radius moved from zero to  1.0
3207  H    ASN   340 is charged! Radius moved from zero to  1.0
3210  HD22 ASN   340 is charged! Radius moved from zero to  1.0
3211  HD21 ASN   340 is charged! Radius moved from zero to  1.0
3217  H    ALA   341 is charged! Radius moved from zero to  1.0
3223  H    ALA   342 is charged! Radius moved from zero to  1.0
3238  H    ARG   343 is charged! Radius moved from zero to  1.0
3249  H    ASP   344 is charged! Radius moved from zero to  1.0
3256  H    ASN   345 is charged! Radius moved from zero to  1.0
3259  HD22 ASN   345 is charged! Radius moved from zero to  1.0
3260  HD21 ASN   345 is charged! Radius moved from zero to  1.0
3273  H    LYS   346 is charged! Radius moved from zero to  1.0
3286  H    LYS   347 is charged! Radius moved from zero to  1.0
3294  H    THR   348 is charged! Radius moved from zero to  1.0
3295  HG1  THR   348 is charged! Radius moved from zero to  1.0
3310  H    ARG   349 is charged! Radius moved from zero to  1.0
3321  H    ILE   350 is charged! Radius moved from zero to  1.0
3330  H    ILE   351 is charged! Radius moved from zero to  1.0
3352  H    ARG   353 is charged! Radius moved from zero to  1.0
3361  H    HIS   354 is charged! Radius moved from zero to  1.0
3378  H    LEU   355 is charged! Radius moved from zero to  1.0
3386  H    GLN   356 is charged! Radius moved from zero to  1.0
3387  HE22 GLN   356 is charged! Radius moved from zero to  1.0
3390  HE21 GLN   356 is charged! Radius moved from zero to  1.0
3399  H    LEU   357 is charged! Radius moved from zero to  1.0
3405  H    ALA   358 is charged! Radius moved from zero to  1.0
3413  H    VAL   359 is charged! Radius moved from zero to  1.0
3428  H    ARG   360 is charged! Radius moved from zero to  1.0
3437  H    ASN   361 is charged! Radius moved from zero to  1.0
3440  HD22 ASN   361 is charged! Radius moved from zero to  1.0
3441  HD21 ASN   361 is charged! Radius moved from zero to  1.0
3450  H    ASP   362 is charged! Radius moved from zero to  1.0
3460  H    GLU   363 is charged! Radius moved from zero to  1.0
3470  H    GLU   364 is charged! Radius moved from zero to  1.0
3479  H    LEU   365 is charged! Radius moved from zero to  1.0
3486  H    ASN   366 is charged! Radius moved from zero to  1.0
3489  HD22 ASN   366 is charged! Radius moved from zero to  1.0
3490  HD21 ASN   366 is charged! Radius moved from zero to  1.0
3503  H    LYS   367 is charged! Radius moved from zero to  1.0
3512  H    LEU   368 is charged! Radius moved from zero to  1.0
3521  H    LEU   369 is charged! Radius moved from zero to  1.0
3526  H    GLY   370 is charged! Radius moved from zero to  1.0
3541  H    ARG   371 is charged! Radius moved from zero to  1.0
3551  H    VAL   372 is charged! Radius moved from zero to  1.0
3559  H    THR   373 is charged! Radius moved from zero to  1.0
3560  HG1  THR   373 is charged! Radius moved from zero to  1.0
3569  H    ILE   374 is charged! Radius moved from zero to  1.0
3575  H    ALA   375 is charged! Radius moved from zero to  1.0
3583  H    GLN   376 is charged! Radius moved from zero to  1.0
3584  HE22 GLN   376 is charged! Radius moved from zero to  1.0
3587  HE21 GLN   376 is charged! Radius moved from zero to  1.0
3592  H    GLY   377 is charged! Radius moved from zero to  1.0
3597  H    GLY   378 is charged! Radius moved from zero to  1.0
3605  H    VAL   379 is charged! Radius moved from zero to  1.0
3614  H    LEU   380 is charged! Radius moved from zero to  1.0
3628  H    ASN   382 is charged! Radius moved from zero to  1.0
3631  HD22 ASN   382 is charged! Radius moved from zero to  1.0
3632  HD21 ASN   382 is charged! Radius moved from zero to  1.0
3641  H    ILE   383 is charged! Radius moved from zero to  1.0
3649  H    GLN   384 is charged! Radius moved from zero to  1.0
3650  HE22 GLN   384 is charged! Radius moved from zero to  1.0
3653  HE21 GLN   384 is charged! Radius moved from zero to  1.0
3660  H    SER   385 is charged! Radius moved from zero to  1.0
3661  HG   SER   385 is charged! Radius moved from zero to  1.0
3669  H    VAL   386 is charged! Radius moved from zero to  1.0
3678  H    LEU   387 is charged! Radius moved from zero to  1.0
3687  H    LEU   388 is charged! Radius moved from zero to  1.0
3707  H    LYS   390 is charged! Radius moved from zero to  1.0
3720  H    LYS   391 is charged! Radius moved from zero to  1.0
3728  H    THR   392 is charged! Radius moved from zero to  1.0
3729  HG1  THR   392 is charged! Radius moved from zero to  1.0
3739  H    GLU   393 is charged! Radius moved from zero to  1.0
3746  H    SER   394 is charged! Radius moved from zero to  1.0
3747  HG   SER   394 is charged! Radius moved from zero to  1.0
3754  H    SER   395 is charged! Radius moved from zero to  1.0
3755  HG   SER   395 is charged! Radius moved from zero to  1.0
3768  H    LYS   396 is charged! Radius moved from zero to  1.0
3775  H    SER   397 is charged! Radius moved from zero to  1.0
3776  HG   SER   397 is charged! Radius moved from zero to  1.0
3789  H    LYS   398 is charged! Radius moved from zero to  1.0
3796  H    SER   399 is charged! Radius moved from zero to  1.0
3797  HG   SER   399 is charged! Radius moved from zero to  1.0
3809  H    LYS   400 is charged! Radius moved from zero to  1.0
3827  H    LYS   410 is charged! Radius moved from zero to  1.0
3834  H    SER   411 is charged! Radius moved from zero to  1.0
3835  HG   SER   411 is charged! Radius moved from zero to  1.0
3841  H    ALA   412 is charged! Radius moved from zero to  1.0
3854  H    ALA   414 is charged! Radius moved from zero to  1.0
3874  H    LYS   416 is charged! Radius moved from zero to  1.0
3887  H    LYS   417 is charged! Radius moved from zero to  1.0
3892  H    GLY   418 is charged! Radius moved from zero to  1.0
3899  H    SER   419 is charged! Radius moved from zero to  1.0
3900  HG   SER   419 is charged! Radius moved from zero to  1.0
3913  H    LYS   420 is charged! Radius moved from zero to  1.0
3926  H    LYS   421 is charged! Radius moved from zero to  1.0
3932  H    ALA   422 is charged! Radius moved from zero to  1.0
3940  H    VAL   423 is charged! Radius moved from zero to  1.0
3948  H    THR   424 is charged! Radius moved from zero to  1.0
3949  HG1  THR   424 is charged! Radius moved from zero to  1.0
3962  H    LYS   425 is charged! Radius moved from zero to  1.0
3970  H    THR   426 is charged! Radius moved from zero to  1.0
3971  HG1  THR   426 is charged! Radius moved from zero to  1.0
3981  H    GLN   427 is charged! Radius moved from zero to  1.0
3982  HE22 GLN   427 is charged! Radius moved from zero to  1.0
3983  HE21 GLN   427 is charged! Radius moved from zero to  1.0
3996  H    LYS   428 is charged! Radius moved from zero to  1.0
4009  H    LYS   429 is charged! Radius moved from zero to  1.0
4018  H    ASP   430 is charged! Radius moved from zero to  1.0
4023  H    GLY   431 is charged! Radius moved from zero to  1.0
4036  H    LYS   432 is charged! Radius moved from zero to  1.0
4049  H    LYS   433 is charged! Radius moved from zero to  1.0
4064  H    ARG   434 is charged! Radius moved from zero to  1.0
4081  H    ARG   435 is charged! Radius moved from zero to  1.0
4096  H    LYS   436 is charged! Radius moved from zero to  1.0
4104  H    THR   437 is charged! Radius moved from zero to  1.0
4105  HG1  THR   437 is charged! Radius moved from zero to  1.0
4120  H    ARG   438 is charged! Radius moved from zero to  1.0
4135  H    LYS   439 is charged! Radius moved from zero to  1.0
4145  H    GLU   440 is charged! Radius moved from zero to  1.0
4152  H    SER   441 is charged! Radius moved from zero to  1.0
4153  HG   SER   441 is charged! Radius moved from zero to  1.0
4168  H    TYR   442 is charged! Radius moved from zero to  1.0
4177  H    ALA   443 is charged! Radius moved from zero to  1.0
4186  H    ILE   444 is charged! Radius moved from zero to  1.0
4201  H    TYR   445 is charged! Radius moved from zero to  1.0
4212  H    VAL   446 is charged! Radius moved from zero to  1.0
4227  H    TYR   447 is charged! Radius moved from zero to  1.0
4243  H    LYS   448 is charged! Radius moved from zero to  1.0
4251  H    VAL   449 is charged! Radius moved from zero to  1.0
4260  H    LEU   450 is charged! Radius moved from zero to  1.0
4273  H    LYS   451 is charged! Radius moved from zero to  1.0
4283  H    GLN   452 is charged! Radius moved from zero to  1.0
4284  HE22 GLN   452 is charged! Radius moved from zero to  1.0
4285  HE21 GLN   452 is charged! Radius moved from zero to  1.0
4293  H    VAL   453 is charged! Radius moved from zero to  1.0
4300  H    HIS   454 is charged! Radius moved from zero to  1.0
4324  H    ASP   456 is charged! Radius moved from zero to  1.0
4332  H    THR   457 is charged! Radius moved from zero to  1.0
4333  HG1  THR   457 is charged! Radius moved from zero to  1.0
4338  H    GLY   458 is charged! Radius moved from zero to  1.0
4347  H    ILE   459 is charged! Radius moved from zero to  1.0
4354  H    SER   460 is charged! Radius moved from zero to  1.0
4355  HG   SER   460 is charged! Radius moved from zero to  1.0
4362  H    SER   461 is charged! Radius moved from zero to  1.0
4363  HG   SER   461 is charged! Radius moved from zero to  1.0
4376  H    LYS   462 is charged! Radius moved from zero to  1.0
4382  H    ALA   463 is charged! Radius moved from zero to  1.0
4391  H    MET   464 is charged! Radius moved from zero to  1.0
4398  H    SER   465 is charged! Radius moved from zero to  1.0
4399  HG   SER   465 is charged! Radius moved from zero to  1.0
4408  H    ILE   466 is charged! Radius moved from zero to  1.0
4417  H    MET   467 is charged! Radius moved from zero to  1.0
4424  H    ASN   468 is charged! Radius moved from zero to  1.0
4427  HD22 ASN   468 is charged! Radius moved from zero to  1.0
4428  HD21 ASN   468 is charged! Radius moved from zero to  1.0
4435  H    SER   469 is charged! Radius moved from zero to  1.0
4436  HG   SER   469 is charged! Radius moved from zero to  1.0
4451  H    PHE   470 is charged! Radius moved from zero to  1.0
4461  H    VAL   471 is charged! Radius moved from zero to  1.0
4468  H    ASN   472 is charged! Radius moved from zero to  1.0
4471  HD22 ASN   472 is charged! Radius moved from zero to  1.0
4472  HD21 ASN   472 is charged! Radius moved from zero to  1.0
4481  H    ASP   473 is charged! Radius moved from zero to  1.0
4489  H    VAL   474 is charged! Radius moved from zero to  1.0
4504  H    PHE   475 is charged! Radius moved from zero to  1.0
4516  H    GLU   476 is charged! Radius moved from zero to  1.0
4531  H    ARG   477 is charged! Radius moved from zero to  1.0
4542  H    ILE   478 is charged! Radius moved from zero to  1.0
4548  H    ALA   479 is charged! Radius moved from zero to  1.0
4553  H    GLY   480 is charged! Radius moved from zero to  1.0
4563  H    GLU   481 is charged! Radius moved from zero to  1.0
4569  H    ALA   482 is charged! Radius moved from zero to  1.0
4576  H    SER   483 is charged! Radius moved from zero to  1.0
4577  HG   SER   483 is charged! Radius moved from zero to  1.0
4592  H    ARG   484 is charged! Radius moved from zero to  1.0
4603  H    LEU   485 is charged! Radius moved from zero to  1.0
4609  H    ALA   486 is charged! Radius moved from zero to  1.0
4616  H    HIS   487 is charged! Radius moved from zero to  1.0
4639  H    TYR   488 is charged! Radius moved from zero to  1.0
4649  H    ASN   489 is charged! Radius moved from zero to  1.0
4652  HD22 ASN   489 is charged! Radius moved from zero to  1.0
4653  HD21 ASN   489 is charged! Radius moved from zero to  1.0
4666  H    LYS   490 is charged! Radius moved from zero to  1.0
4681  H    ARG   491 is charged! Radius moved from zero to  1.0
4690  H    SER   492 is charged! Radius moved from zero to  1.0
4691  HG   SER   492 is charged! Radius moved from zero to  1.0
4699  H    THR   493 is charged! Radius moved from zero to  1.0
4700  HG1  THR   493 is charged! Radius moved from zero to  1.0
4709  H    ILE   494 is charged! Radius moved from zero to  1.0
4717  H    THR   495 is charged! Radius moved from zero to  1.0
4718  HG1  THR   495 is charged! Radius moved from zero to  1.0
4725  H    SER   496 is charged! Radius moved from zero to  1.0
4726  HG   SER   496 is charged! Radius moved from zero to  1.0
4741  H    ARG   497 is charged! Radius moved from zero to  1.0
4753  H    GLU   498 is charged! Radius moved from zero to  1.0
4762  H    ILE   499 is charged! Radius moved from zero to  1.0
4770  H    GLN   500 is charged! Radius moved from zero to  1.0
4771  HE22 GLN   500 is charged! Radius moved from zero to  1.0
4774  HE21 GLN   500 is charged! Radius moved from zero to  1.0
4782  H    THR   501 is charged! Radius moved from zero to  1.0
4783  HG1  THR   501 is charged! Radius moved from zero to  1.0
4789  H    ALA   502 is charged! Radius moved from zero to  1.0
4797  H    VAL   503 is charged! Radius moved from zero to  1.0
4812  H    ARG   504 is charged! Radius moved from zero to  1.0
4823  H    LEU   505 is charged! Radius moved from zero to  1.0
4832  H    LEU   506 is charged! Radius moved from zero to  1.0
4841  H    LEU   507 is charged! Radius moved from zero to  1.0
4853  H    GLY   509 is charged! Radius moved from zero to  1.0
4863  H    GLU   510 is charged! Radius moved from zero to  1.0
4872  H    LEU   511 is charged! Radius moved from zero to  1.0
4878  H    ALA   512 is charged! Radius moved from zero to  1.0
4891  H    LYS   513 is charged! Radius moved from zero to  1.0
4898  H    HIS   514 is charged! Radius moved from zero to  1.0
4912  H    ALA   515 is charged! Radius moved from zero to  1.0
4920  H    VAL   516 is charged! Radius moved from zero to  1.0
4927  H    SER   517 is charged! Radius moved from zero to  1.0
4928  HG   SER   517 is charged! Radius moved from zero to  1.0
4938  H    GLU   518 is charged! Radius moved from zero to  1.0
4943  H    GLY   519 is charged! Radius moved from zero to  1.0
4951  H    THR   520 is charged! Radius moved from zero to  1.0
4952  HG1  THR   520 is charged! Radius moved from zero to  1.0
4965  H    LYS   521 is charged! Radius moved from zero to  1.0
4971  H    ALA   522 is charged! Radius moved from zero to  1.0
4979  H    VAL   523 is charged! Radius moved from zero to  1.0
4987  H    THR   524 is charged! Radius moved from zero to  1.0
4988  HG1  THR   524 is charged! Radius moved from zero to  1.0
5001  H    LYS   525 is charged! Radius moved from zero to  1.0
5016  H    TYR   526 is charged! Radius moved from zero to  1.0
5027  H    THR   527 is charged! Radius moved from zero to  1.0
5028  HG1  THR   527 is charged! Radius moved from zero to  1.0
5035  H    SER   528 is charged! Radius moved from zero to  1.0
5036  HG   SER   528 is charged! Radius moved from zero to  1.0
5042  H    ALA   529 is charged! Radius moved from zero to  1.0
5054  H    LYS   530 is charged! Radius moved from zero to  1.0
5074  H    ARG   546 is charged! Radius moved from zero to  1.0
5084  H    THR   547 is charged! Radius moved from zero to  1.0
5085  HG1  THR   547 is charged! Radius moved from zero to  1.0
5098  H    LYS   548 is charged! Radius moved from zero to  1.0
5106  H    GLN   549 is charged! Radius moved from zero to  1.0
5107  HE22 GLN   549 is charged! Radius moved from zero to  1.0
5110  HE21 GLN   549 is charged! Radius moved from zero to  1.0
5118  H    THR   550 is charged! Radius moved from zero to  1.0
5119  HG1  THR   550 is charged! Radius moved from zero to  1.0
5125  H    ALA   551 is charged! Radius moved from zero to  1.0
5140  H    ARG   552 is charged! Radius moved from zero to  1.0
5155  H    LYS   553 is charged! Radius moved from zero to  1.0
5162  H    SER   554 is charged! Radius moved from zero to  1.0
5163  HG   SER   554 is charged! Radius moved from zero to  1.0
5171  H    THR   555 is charged! Radius moved from zero to  1.0
5172  HG1  THR   555 is charged! Radius moved from zero to  1.0
5177  H    GLY   556 is charged! Radius moved from zero to  1.0
5182  H    GLY   557 is charged! Radius moved from zero to  1.0
5195  H    LYS   558 is charged! Radius moved from zero to  1.0
5201  H    ALA   559 is charged! Radius moved from zero to  1.0
5223  H    ARG   561 is charged! Radius moved from zero to  1.0
5238  H    LYS   562 is charged! Radius moved from zero to  1.0
5246  H    GLN   563 is charged! Radius moved from zero to  1.0
5247  HE22 GLN   563 is charged! Radius moved from zero to  1.0
5250  HE21 GLN   563 is charged! Radius moved from zero to  1.0
5259  H    LEU   564 is charged! Radius moved from zero to  1.0
5265  H    ALA   565 is charged! Radius moved from zero to  1.0
5273  H    THR   566 is charged! Radius moved from zero to  1.0
5274  HG1  THR   566 is charged! Radius moved from zero to  1.0
5287  H    LYS   567 is charged! Radius moved from zero to  1.0
5293  H    ALA   568 is charged! Radius moved from zero to  1.0
5299  H    ALA   569 is charged! Radius moved from zero to  1.0
5314  H    ARG   570 is charged! Radius moved from zero to  1.0
5329  H    LYS   571 is charged! Radius moved from zero to  1.0
5336  H    SER   572 is charged! Radius moved from zero to  1.0
5337  HG   SER   572 is charged! Radius moved from zero to  1.0
5343  H    ALA   573 is charged! Radius moved from zero to  1.0
5356  H    ALA   575 is charged! Radius moved from zero to  1.0
5364  H    THR   576 is charged! Radius moved from zero to  1.0
5365  HG1  THR   576 is charged! Radius moved from zero to  1.0
5370  H    GLY   577 is charged! Radius moved from zero to  1.0
5375  H    GLY   578 is charged! Radius moved from zero to  1.0
5383  H    VAL   579 is charged! Radius moved from zero to  1.0
5396  H    LYS   580 is charged! Radius moved from zero to  1.0
5409  H    LYS   581 is charged! Radius moved from zero to  1.0
5423  H    HIS   583 is charged! Radius moved from zero to  1.0
5446  H    ARG   584 is charged! Radius moved from zero to  1.0
5463  H    TYR   585 is charged! Radius moved from zero to  1.0
5481  H    ARG   586 is charged! Radius moved from zero to  1.0
5495  H    GLY   588 is charged! Radius moved from zero to  1.0
5503  H    THR   589 is charged! Radius moved from zero to  1.0
5504  HG1  THR   589 is charged! Radius moved from zero to  1.0
5512  H    VAL   590 is charged! Radius moved from zero to  1.0
5518  H    ALA   591 is charged! Radius moved from zero to  1.0
5527  H    LEU   592 is charged! Radius moved from zero to  1.0
5542  H    ARG   593 is charged! Radius moved from zero to  1.0
5554  H    GLU   594 is charged! Radius moved from zero to  1.0
5563  H    ILE   595 is charged! Radius moved from zero to  1.0
5578  H    ARG   596 is charged! Radius moved from zero to  1.0
5595  H    ARG   597 is charged! Radius moved from zero to  1.0
5612  H    TYR   598 is charged! Radius moved from zero to  1.0
5623  H    GLN   599 is charged! Radius moved from zero to  1.0
5624  HE22 GLN   599 is charged! Radius moved from zero to  1.0
5627  HE21 GLN   599 is charged! Radius moved from zero to  1.0
5640  H    LYS   600 is charged! Radius moved from zero to  1.0
5647  H    SER   601 is charged! Radius moved from zero to  1.0
5648  HG   SER   601 is charged! Radius moved from zero to  1.0
5656  H    THR   602 is charged! Radius moved from zero to  1.0
5657  HG1  THR   602 is charged! Radius moved from zero to  1.0
5667  H    GLU   603 is charged! Radius moved from zero to  1.0
5676  H    LEU   604 is charged! Radius moved from zero to  1.0
5685  H    LEU   605 is charged! Radius moved from zero to  1.0
5694  H    ILE   606 is charged! Radius moved from zero to  1.0
5709  H    ARG   607 is charged! Radius moved from zero to  1.0
5724  H    LYS   608 is charged! Radius moved from zero to  1.0
5733  H    LEU   609 is charged! Radius moved from zero to  1.0
5755  H    PHE   611 is charged! Radius moved from zero to  1.0
5767  H    GLN   612 is charged! Radius moved from zero to  1.0
5768  HE22 GLN   612 is charged! Radius moved from zero to  1.0
5769  HE21 GLN   612 is charged! Radius moved from zero to  1.0
5784  H    ARG   613 is charged! Radius moved from zero to  1.0
5795  H    LEU   614 is charged! Radius moved from zero to  1.0
5803  H    VAL   615 is charged! Radius moved from zero to  1.0
5818  H    ARG   616 is charged! Radius moved from zero to  1.0
5830  H    GLU   617 is charged! Radius moved from zero to  1.0
5839  H    ILE   618 is charged! Radius moved from zero to  1.0
5845  H    ALA   619 is charged! Radius moved from zero to  1.0
5853  H    GLN   620 is charged! Radius moved from zero to  1.0
5854  HE22 GLN   620 is charged! Radius moved from zero to  1.0
5857  HE21 GLN   620 is charged! Radius moved from zero to  1.0
5866  H    ASP   621 is charged! Radius moved from zero to  1.0
5881  H    PHE   622 is charged! Radius moved from zero to  1.0
5896  H    LYS   623 is charged! Radius moved from zero to  1.0
5904  H    THR   624 is charged! Radius moved from zero to  1.0
5905  HG1  THR   624 is charged! Radius moved from zero to  1.0
5914  H    ASP   625 is charged! Radius moved from zero to  1.0
5923  H    LEU   626 is charged! Radius moved from zero to  1.0
5938  H    ARG   627 is charged! Radius moved from zero to  1.0
5955  H    PHE   628 is charged! Radius moved from zero to  1.0
5965  H    GLN   629 is charged! Radius moved from zero to  1.0
5966  HE22 GLN   629 is charged! Radius moved from zero to  1.0
5969  HE21 GLN   629 is charged! Radius moved from zero to  1.0
5976  H    SER   630 is charged! Radius moved from zero to  1.0
5977  HG   SER   630 is charged! Radius moved from zero to  1.0
5984  H    SER   631 is charged! Radius moved from zero to  1.0
5985  HG   SER   631 is charged! Radius moved from zero to  1.0
5991  H    ALA   632 is charged! Radius moved from zero to  1.0
5999  H    VAL   633 is charged! Radius moved from zero to  1.0
6008  H    MET   634 is charged! Radius moved from zero to  1.0
6014  H    ALA   635 is charged! Radius moved from zero to  1.0
6023  H    LEU   636 is charged! Radius moved from zero to  1.0
6031  H    GLN   637 is charged! Radius moved from zero to  1.0
6032  HE22 GLN   637 is charged! Radius moved from zero to  1.0
6035  HE21 GLN   637 is charged! Radius moved from zero to  1.0
6045  H    GLU   638 is charged! Radius moved from zero to  1.0
6051  H    ALA   639 is charged! Radius moved from zero to  1.0
6058  H    SER   640 is charged! Radius moved from zero to  1.0
6059  HG   SER   640 is charged! Radius moved from zero to  1.0
6069  H    GLU   641 is charged! Radius moved from zero to  1.0
6075  H    ALA   642 is charged! Radius moved from zero to  1.0
6090  H    TYR   643 is charged! Radius moved from zero to  1.0
6102  H    LEU   644 is charged! Radius moved from zero to  1.0
6110  H    VAL   645 is charged! Radius moved from zero to  1.0
6116  H    ALA   646 is charged! Radius moved from zero to  1.0
6125  H    LEU   647 is charged! Radius moved from zero to  1.0
6140  H    PHE   648 is charged! Radius moved from zero to  1.0
6152  H    GLU   649 is charged! Radius moved from zero to  1.0
6161  H    ASP   650 is charged! Radius moved from zero to  1.0
6169  H    THR   651 is charged! Radius moved from zero to  1.0
6170  HG1  THR   651 is charged! Radius moved from zero to  1.0
6177  H    ASN   652 is charged! Radius moved from zero to  1.0
6180  HD22 ASN   652 is charged! Radius moved from zero to  1.0
6181  HD21 ASN   652 is charged! Radius moved from zero to  1.0
6190  H    LEU   653 is charged! Radius moved from zero to  1.0
6197  H    CYS   654 is charged! Radius moved from zero to  1.0
6204  H    ALA   655 is charged! Radius moved from zero to  1.0
6213  H    ILE   656 is charged! Radius moved from zero to  1.0
6227  H    HIS   657 is charged! Radius moved from zero to  1.0
6234  H    ALA   658 is charged! Radius moved from zero to  1.0
6247  H    LYS   659 is charged! Radius moved from zero to  1.0
6262  H    ARG   660 is charged! Radius moved from zero to  1.0
6272  H    VAL   661 is charged! Radius moved from zero to  1.0
6280  H    THR   662 is charged! Radius moved from zero to  1.0
6281  HG1  THR   662 is charged! Radius moved from zero to  1.0
6290  H    ILE   663 is charged! Radius moved from zero to  1.0
6299  H    MET   664 is charged! Radius moved from zero to  1.0
6319  H    LYS   666 is charged! Radius moved from zero to  1.0
6328  H    ASP   667 is charged! Radius moved from zero to  1.0
6337  H    ILE   668 is charged! Radius moved from zero to  1.0
6347  H    GLN   669 is charged! Radius moved from zero to  1.0
6348  HE22 GLN   669 is charged! Radius moved from zero to  1.0
6349  HE21 GLN   669 is charged! Radius moved from zero to  1.0
6358  H    LEU   670 is charged! Radius moved from zero to  1.0
6364  H    ALA   671 is charged! Radius moved from zero to  1.0
6379  H    ARG   672 is charged! Radius moved from zero to  1.0
6396  H    ARG   673 is charged! Radius moved from zero to  1.0
6407  H    ILE   674 is charged! Radius moved from zero to  1.0
6422  H    ARG   675 is charged! Radius moved from zero to  1.0
6429  H    GLY   676 is charged! Radius moved from zero to  1.0
6439  H    GLU   677 is charged! Radius moved from zero to  1.0
6454  H    ARG   678 is charged! Radius moved from zero to  1.0
6461  H    ALA   679 is charged! Radius moved from zero to  1.0
6468  HG   SER   681 is charged! Radius moved from zero to  1.0
6473  H    GLY   682 is charged! Radius moved from zero to  1.0
6488  H    ARG   683 is charged! Radius moved from zero to  1.0
6495  H    GLY   684 is charged! Radius moved from zero to  1.0
6508  H    LYS   685 is charged! Radius moved from zero to  1.0
6513  H    GLY   686 is charged! Radius moved from zero to  1.0
6518  H    GLY   687 is charged! Radius moved from zero to  1.0
6531  H    LYS   688 is charged! Radius moved from zero to  1.0
6536  H    GLY   689 is charged! Radius moved from zero to  1.0
6545  H    LEU   690 is charged! Radius moved from zero to  1.0
6550  H    GLY   691 is charged! Radius moved from zero to  1.0
6563  H    LYS   692 is charged! Radius moved from zero to  1.0
6568  H    GLY   693 is charged! Radius moved from zero to  1.0
6573  H    GLY   694 is charged! Radius moved from zero to  1.0
6579  H    ALA   695 is charged! Radius moved from zero to  1.0
6592  H    LYS   696 is charged! Radius moved from zero to  1.0
6607  H    ARG   697 is charged! Radius moved from zero to  1.0
6616  H    HIS   698 is charged! Radius moved from zero to  1.0
6639  H    ARG   699 is charged! Radius moved from zero to  1.0
6654  H    LYS   700 is charged! Radius moved from zero to  1.0
6662  H    VAL   701 is charged! Radius moved from zero to  1.0
6671  H    LEU   702 is charged! Radius moved from zero to  1.0
6686  H    ARG   703 is charged! Radius moved from zero to  1.0
6697  H    ASP   704 is charged! Radius moved from zero to  1.0
6704  H    ASN   705 is charged! Radius moved from zero to  1.0
6707  HD22 ASN   705 is charged! Radius moved from zero to  1.0
6708  HD21 ASN   705 is charged! Radius moved from zero to  1.0
6717  H    ILE   706 is charged! Radius moved from zero to  1.0
6725  H    GLN   707 is charged! Radius moved from zero to  1.0
6726  HE22 GLN   707 is charged! Radius moved from zero to  1.0
6729  HE21 GLN   707 is charged! Radius moved from zero to  1.0
6734  H    GLY   708 is charged! Radius moved from zero to  1.0
6743  H    ILE   709 is charged! Radius moved from zero to  1.0
6751  H    THR   710 is charged! Radius moved from zero to  1.0
6752  HG1  THR   710 is charged! Radius moved from zero to  1.0
6765  H    LYS   711 is charged! Radius moved from zero to  1.0
6778  H    ALA   713 is charged! Radius moved from zero to  1.0
6787  H    ILE   714 is charged! Radius moved from zero to  1.0
6802  H    ARG   715 is charged! Radius moved from zero to  1.0
6819  H    ARG   716 is charged! Radius moved from zero to  1.0
6830  H    LEU   717 is charged! Radius moved from zero to  1.0
6836  H    ALA   718 is charged! Radius moved from zero to  1.0
6851  H    ARG   719 is charged! Radius moved from zero to  1.0
6868  H    ARG   720 is charged! Radius moved from zero to  1.0
6875  H    GLY   721 is charged! Radius moved from zero to  1.0
6880  H    GLY   722 is charged! Radius moved from zero to  1.0
6888  H    VAL   723 is charged! Radius moved from zero to  1.0
6901  H    LYS   724 is charged! Radius moved from zero to  1.0
6916  H    ARG   725 is charged! Radius moved from zero to  1.0
6927  H    ILE   726 is charged! Radius moved from zero to  1.0
6934  H    SER   727 is charged! Radius moved from zero to  1.0
6935  HG   SER   727 is charged! Radius moved from zero to  1.0
6940  H    GLY   728 is charged! Radius moved from zero to  1.0
6949  H    LEU   729 is charged! Radius moved from zero to  1.0
6958  H    ILE   730 is charged! Radius moved from zero to  1.0
6973  H    TYR   731 is charged! Radius moved from zero to  1.0
6986  H    GLU   732 is charged! Radius moved from zero to  1.0
6996  H    GLU   733 is charged! Radius moved from zero to  1.0
7004  H    THR   734 is charged! Radius moved from zero to  1.0
7005  HG1  THR   734 is charged! Radius moved from zero to  1.0
7020  H    ARG   735 is charged! Radius moved from zero to  1.0
7027  H    GLY   736 is charged! Radius moved from zero to  1.0
7035  H    VAL   737 is charged! Radius moved from zero to  1.0
7044  H    LEU   738 is charged! Radius moved from zero to  1.0
7057  H    LYS   739 is charged! Radius moved from zero to  1.0
7065  H    VAL   740 is charged! Radius moved from zero to  1.0
7080  H    PHE   741 is charged! Radius moved from zero to  1.0
7091  H    LEU   742 is charged! Radius moved from zero to  1.0
7101  H    GLU   743 is charged! Radius moved from zero to  1.0
7108  H    ASN   744 is charged! Radius moved from zero to  1.0
7111  HD22 ASN   744 is charged! Radius moved from zero to  1.0
7112  HD21 ASN   744 is charged! Radius moved from zero to  1.0
7120  H    VAL   745 is charged! Radius moved from zero to  1.0
7129  H    ILE   746 is charged! Radius moved from zero to  1.0
7144  H    ARG   747 is charged! Radius moved from zero to  1.0
7155  H    ASP   748 is charged! Radius moved from zero to  1.0
7161  H    ALA   749 is charged! Radius moved from zero to  1.0
7169  H    VAL   750 is charged! Radius moved from zero to  1.0
7177  H    THR   751 is charged! Radius moved from zero to  1.0
7178  HG1  THR   751 is charged! Radius moved from zero to  1.0
7193  H    TYR   752 is charged! Radius moved from zero to  1.0
7204  H    THR   753 is charged! Radius moved from zero to  1.0
7205  HG1  THR   753 is charged! Radius moved from zero to  1.0
7215  H    GLU   754 is charged! Radius moved from zero to  1.0
7222  H    HIS   755 is charged! Radius moved from zero to  1.0
7236  H    ALA   756 is charged! Radius moved from zero to  1.0
7249  H    LYS   757 is charged! Radius moved from zero to  1.0
7264  H    ARG   758 is charged! Radius moved from zero to  1.0
7279  H    LYS   759 is charged! Radius moved from zero to  1.0
7287  H    THR   760 is charged! Radius moved from zero to  1.0
7288  HG1  THR   760 is charged! Radius moved from zero to  1.0
7296  H    VAL   761 is charged! Radius moved from zero to  1.0
7304  H    THR   762 is charged! Radius moved from zero to  1.0
7305  HG1  THR   762 is charged! Radius moved from zero to  1.0
7311  H    ALA   763 is charged! Radius moved from zero to  1.0
7320  H    MET   764 is charged! Radius moved from zero to  1.0
7329  H    ASP   765 is charged! Radius moved from zero to  1.0
7337  H    VAL   766 is charged! Radius moved from zero to  1.0
7345  H    VAL   767 is charged! Radius moved from zero to  1.0
7360  H    TYR   768 is charged! Radius moved from zero to  1.0
7369  H    ALA   769 is charged! Radius moved from zero to  1.0
7378  H    LEU   770 is charged! Radius moved from zero to  1.0
7391  H    LYS   771 is charged! Radius moved from zero to  1.0
7406  H    ARG   772 is charged! Radius moved from zero to  1.0
7416  H    GLN   773 is charged! Radius moved from zero to  1.0
7417  HE22 GLN   773 is charged! Radius moved from zero to  1.0
7420  HE21 GLN   773 is charged! Radius moved from zero to  1.0
7425  H    GLY   774 is charged! Radius moved from zero to  1.0
7440  H    ARG   775 is charged! Radius moved from zero to  1.0
7450  H    THR   776 is charged! Radius moved from zero to  1.0
7451  HG1  THR   776 is charged! Radius moved from zero to  1.0
7460  H    LEU   777 is charged! Radius moved from zero to  1.0
7475  H    TYR   778 is charged! Radius moved from zero to  1.0
7483  H    GLY   779 is charged! Radius moved from zero to  1.0
7498  H    PHE   780 is charged! Radius moved from zero to  1.0
7505  H    GLY   781 is charged! Radius moved from zero to  1.0
7509  H    GLY   782 is charged! Radius moved from zero to  1.0
7516  HG   SER   817 is charged! Radius moved from zero to  1.0
7521  H    GLY   818 is charged! Radius moved from zero to  1.0
7536  H    ARG   819 is charged! Radius moved from zero to  1.0
7543  H    GLY   820 is charged! Radius moved from zero to  1.0
7556  H    LYS   821 is charged! Radius moved from zero to  1.0
7564  H    GLN   822 is charged! Radius moved from zero to  1.0
7565  HE22 GLN   822 is charged! Radius moved from zero to  1.0
7568  HE21 GLN   822 is charged! Radius moved from zero to  1.0
7573  H    GLY   823 is charged! Radius moved from zero to  1.0
7578  H    GLY   824 is charged! Radius moved from zero to  1.0
7591  H    LYS   825 is charged! Radius moved from zero to  1.0
7599  H    THR   826 is charged! Radius moved from zero to  1.0
7600  HG1  THR   826 is charged! Radius moved from zero to  1.0
7615  H    ARG   827 is charged! Radius moved from zero to  1.0
7623  H    ALA   828 is charged! Radius moved from zero to  1.0
7636  H    LYS   829 is charged! Radius moved from zero to  1.0
7642  H    ALA   830 is charged! Radius moved from zero to  1.0
7655  H    LYS   831 is charged! Radius moved from zero to  1.0
7663  H    THR   832 is charged! Radius moved from zero to  1.0
7664  HG1  THR   832 is charged! Radius moved from zero to  1.0
7679  H    ARG   833 is charged! Radius moved from zero to  1.0
7688  H    SER   834 is charged! Radius moved from zero to  1.0
7689  HG   SER   834 is charged! Radius moved from zero to  1.0
7696  H    SER   835 is charged! Radius moved from zero to  1.0
7697  HG   SER   835 is charged! Radius moved from zero to  1.0
7712  H    ARG   836 is charged! Radius moved from zero to  1.0
7720  H    ALA   837 is charged! Radius moved from zero to  1.0
7725  H    GLY   838 is charged! Radius moved from zero to  1.0
7734  H    LEU   839 is charged! Radius moved from zero to  1.0
7742  H    GLN   840 is charged! Radius moved from zero to  1.0
7743  HE22 GLN   840 is charged! Radius moved from zero to  1.0
7746  HE21 GLN   840 is charged! Radius moved from zero to  1.0
7761  H    PHE   841 is charged! Radius moved from zero to  1.0
7778  H    VAL   843 is charged! Radius moved from zero to  1.0
7783  H    GLY   844 is charged! Radius moved from zero to  1.0
7798  H    ARG   845 is charged! Radius moved from zero to  1.0
7808  H    VAL   846 is charged! Radius moved from zero to  1.0
7822  H    HIS   847 is charged! Radius moved from zero to  1.0
7838  H    ARG   848 is charged! Radius moved from zero to  1.0
7849  H    LEU   849 is charged! Radius moved from zero to  1.0
7858  H    LEU   850 is charged! Radius moved from zero to  1.0
7873  H    ARG   851 is charged! Radius moved from zero to  1.0
7888  H    LYS   852 is charged! Radius moved from zero to  1.0
7893  H    GLY   853 is charged! Radius moved from zero to  1.0
7900  H    ASN   854 is charged! Radius moved from zero to  1.0
7903  HD22 ASN   854 is charged! Radius moved from zero to  1.0
7904  HD21 ASN   854 is charged! Radius moved from zero to  1.0
7919  H    TYR   855 is charged! Radius moved from zero to  1.0
7928  H    ALA   856 is charged! Radius moved from zero to  1.0
7938  H    GLU   857 is charged! Radius moved from zero to  1.0
7953  H    ARG   858 is charged! Radius moved from zero to  1.0
7963  H    VAL   859 is charged! Radius moved from zero to  1.0
7968  H    GLY   860 is charged! Radius moved from zero to  1.0
7974  H    ALA   861 is charged! Radius moved from zero to  1.0
7979  H    GLY   862 is charged! Radius moved from zero to  1.0
7985  H    ALA   863 is charged! Radius moved from zero to  1.0
8000  H    VAL   865 is charged! Radius moved from zero to  1.0
8015  H    TYR   866 is charged! Radius moved from zero to  1.0
8027  H    LEU   867 is charged! Radius moved from zero to  1.0
8033  H    ALA   868 is charged! Radius moved from zero to  1.0
8039  H    ALA   869 is charged! Radius moved from zero to  1.0
8047  H    VAL   870 is charged! Radius moved from zero to  1.0
8056  H    LEU   871 is charged! Radius moved from zero to  1.0
8066  H    GLU   872 is charged! Radius moved from zero to  1.0
8081  H    TYR   873 is charged! Radius moved from zero to  1.0
8093  H    LEU   874 is charged! Radius moved from zero to  1.0
8101  H    THR   875 is charged! Radius moved from zero to  1.0
8102  HG1  THR   875 is charged! Radius moved from zero to  1.0
8108  H    ALA   876 is charged! Radius moved from zero to  1.0
8118  H    GLU   877 is charged! Radius moved from zero to  1.0
8127  H    ILE   878 is charged! Radius moved from zero to  1.0
8136  H    LEU   879 is charged! Radius moved from zero to  1.0
8146  H    GLU   880 is charged! Radius moved from zero to  1.0
8155  H    LEU   881 is charged! Radius moved from zero to  1.0
8161  H    ALA   882 is charged! Radius moved from zero to  1.0
8166  H    GLY   883 is charged! Radius moved from zero to  1.0
8173  H    ASN   884 is charged! Radius moved from zero to  1.0
8176  HD22 ASN   884 is charged! Radius moved from zero to  1.0
8177  HD21 ASN   884 is charged! Radius moved from zero to  1.0
8183  H    ALA   885 is charged! Radius moved from zero to  1.0
8189  H    ALA   886 is charged! Radius moved from zero to  1.0
8204  H    ARG   887 is charged! Radius moved from zero to  1.0
8215  H    ASP   888 is charged! Radius moved from zero to  1.0
8222  H    ASN   889 is charged! Radius moved from zero to  1.0
8225  HD22 ASN   889 is charged! Radius moved from zero to  1.0
8226  HD21 ASN   889 is charged! Radius moved from zero to  1.0
8239  H    LYS   890 is charged! Radius moved from zero to  1.0
8252  H    LYS   891 is charged! Radius moved from zero to  1.0
8260  H    THR   892 is charged! Radius moved from zero to  1.0
8261  HG1  THR   892 is charged! Radius moved from zero to  1.0
8276  H    ARG   893 is charged! Radius moved from zero to  1.0
8287  H    ILE   894 is charged! Radius moved from zero to  1.0
8296  H    ILE   895 is charged! Radius moved from zero to  1.0
8318  H    ARG   897 is charged! Radius moved from zero to  1.0
8327  H    HIS   898 is charged! Radius moved from zero to  1.0
8344  H    LEU   899 is charged! Radius moved from zero to  1.0
8352  H    GLN   900 is charged! Radius moved from zero to  1.0
8353  HE22 GLN   900 is charged! Radius moved from zero to  1.0
8356  HE21 GLN   900 is charged! Radius moved from zero to  1.0
8365  H    LEU   901 is charged! Radius moved from zero to  1.0
8371  H    ALA   902 is charged! Radius moved from zero to  1.0
8379  H    VAL   903 is charged! Radius moved from zero to  1.0
8394  H    ARG   904 is charged! Radius moved from zero to  1.0
8403  H    ASN   905 is charged! Radius moved from zero to  1.0
8406  HD22 ASN   905 is charged! Radius moved from zero to  1.0
8407  HD21 ASN   905 is charged! Radius moved from zero to  1.0
8416  H    ASP   906 is charged! Radius moved from zero to  1.0
8426  H    GLU   907 is charged! Radius moved from zero to  1.0
8436  H    GLU   908 is charged! Radius moved from zero to  1.0
8445  H    LEU   909 is charged! Radius moved from zero to  1.0
8452  H    ASN   910 is charged! Radius moved from zero to  1.0
8455  HD22 ASN   910 is charged! Radius moved from zero to  1.0
8456  HD21 ASN   910 is charged! Radius moved from zero to  1.0
8469  H    LYS   911 is charged! Radius moved from zero to  1.0
8478  H    LEU   912 is charged! Radius moved from zero to  1.0
8487  H    LEU   913 is charged! Radius moved from zero to  1.0
8492  H    GLY   914 is charged! Radius moved from zero to  1.0
8507  H    ARG   915 is charged! Radius moved from zero to  1.0
8517  H    VAL   916 is charged! Radius moved from zero to  1.0
8525  H    THR   917 is charged! Radius moved from zero to  1.0
8526  HG1  THR   917 is charged! Radius moved from zero to  1.0
8535  H    ILE   918 is charged! Radius moved from zero to  1.0
8541  H    ALA   919 is charged! Radius moved from zero to  1.0
8549  H    GLN   920 is charged! Radius moved from zero to  1.0
8550  HE22 GLN   920 is charged! Radius moved from zero to  1.0
8553  HE21 GLN   920 is charged! Radius moved from zero to  1.0
8558  H    GLY   921 is charged! Radius moved from zero to  1.0
8563  H    GLY   922 is charged! Radius moved from zero to  1.0
8571  H    VAL   923 is charged! Radius moved from zero to  1.0
8580  H    LEU   924 is charged! Radius moved from zero to  1.0
8594  H    ASN   926 is charged! Radius moved from zero to  1.0
8597  HD22 ASN   926 is charged! Radius moved from zero to  1.0
8598  HD21 ASN   926 is charged! Radius moved from zero to  1.0
8607  H    ILE   927 is charged! Radius moved from zero to  1.0
8615  H    GLN   928 is charged! Radius moved from zero to  1.0
8616  HE22 GLN   928 is charged! Radius moved from zero to  1.0
8619  HE21 GLN   928 is charged! Radius moved from zero to  1.0
8626  H    SER   929 is charged! Radius moved from zero to  1.0
8627  HG   SER   929 is charged! Radius moved from zero to  1.0
8635  H    VAL   930 is charged! Radius moved from zero to  1.0
8644  H    LEU   931 is charged! Radius moved from zero to  1.0
8653  H    LEU   932 is charged! Radius moved from zero to  1.0
8673  H    LYS   934 is charged! Radius moved from zero to  1.0
8686  H    LYS   935 is charged! Radius moved from zero to  1.0
8694  H    THR   936 is charged! Radius moved from zero to  1.0
8695  HG1  THR   936 is charged! Radius moved from zero to  1.0
8705  H    GLU   937 is charged! Radius moved from zero to  1.0
8712  H    SER   938 is charged! Radius moved from zero to  1.0
8713  HG   SER   938 is charged! Radius moved from zero to  1.0
8720  H    SER   939 is charged! Radius moved from zero to  1.0
8721  HG   SER   939 is charged! Radius moved from zero to  1.0
8734  H    LYS   940 is charged! Radius moved from zero to  1.0
8741  H    SER   941 is charged! Radius moved from zero to  1.0
8742  HG   SER   941 is charged! Radius moved from zero to  1.0
8755  H    LYS   942 is charged! Radius moved from zero to  1.0
8762  H    SER   943 is charged! Radius moved from zero to  1.0
8763  HG   SER   943 is charged! Radius moved from zero to  1.0
8775  H    LYS   944 is charged! Radius moved from zero to  1.0
8793  H    LYS   954 is charged! Radius moved from zero to  1.0
8800  H    SER   955 is charged! Radius moved from zero to  1.0
8801  HG   SER   955 is charged! Radius moved from zero to  1.0
8807  H    ALA   956 is charged! Radius moved from zero to  1.0
8820  H    ALA   958 is charged! Radius moved from zero to  1.0
8840  H    LYS   960 is charged! Radius moved from zero to  1.0
8853  H    LYS   961 is charged! Radius moved from zero to  1.0
8858  H    GLY   962 is charged! Radius moved from zero to  1.0
8865  H    SER   963 is charged! Radius moved from zero to  1.0
8866  HG   SER   963 is charged! Radius moved from zero to  1.0
8879  H    LYS   964 is charged! Radius moved from zero to  1.0
8892  H    LYS   965 is charged! Radius moved from zero to  1.0
8898  H    ALA   966 is charged! Radius moved from zero to  1.0
8906  H    VAL   967 is charged! Radius moved from zero to  1.0
8914  H    THR   968 is charged! Radius moved from zero to  1.0
8915  HG1  THR   968 is charged! Radius moved from zero to  1.0
8928  H    LYS   969 is charged! Radius moved from zero to  1.0
8936  H    THR   970 is charged! Radius moved from zero to  1.0
8937  HG1  THR   970 is charged! Radius moved from zero to  1.0
8945  H    GLN   971 is charged! Radius moved from zero to  1.0
8946  HE22 GLN   971 is charged! Radius moved from zero to  1.0
8949  HE21 GLN   971 is charged! Radius moved from zero to  1.0
8962  H    LYS   972 is charged! Radius moved from zero to  1.0
8975  H    LYS   973 is charged! Radius moved from zero to  1.0
8984  H    ASP   974 is charged! Radius moved from zero to  1.0
8989  H    GLY   975 is charged! Radius moved from zero to  1.0
9002  H    LYS   976 is charged! Radius moved from zero to  1.0
9015  H    LYS   977 is charged! Radius moved from zero to  1.0
9030  H    ARG   978 is charged! Radius moved from zero to  1.0
9047  H    ARG   979 is charged! Radius moved from zero to  1.0
9062  H    LYS   980 is charged! Radius moved from zero to  1.0
9070  H    THR   981 is charged! Radius moved from zero to  1.0
9071  HG1  THR   981 is charged! Radius moved from zero to  1.0
9086  H    ARG   982 is charged! Radius moved from zero to  1.0
9101  H    LYS   983 is charged! Radius moved from zero to  1.0
9111  H    GLU   984 is charged! Radius moved from zero to  1.0
9118  H    SER   985 is charged! Radius moved from zero to  1.0
9119  HG   SER   985 is charged! Radius moved from zero to  1.0
9134  H    TYR   986 is charged! Radius moved from zero to  1.0
9143  H    ALA   987 is charged! Radius moved from zero to  1.0
9152  H    ILE   988 is charged! Radius moved from zero to  1.0
9167  H    TYR   989 is charged! Radius moved from zero to  1.0
9178  H    VAL   990 is charged! Radius moved from zero to  1.0
9193  H    TYR   991 is charged! Radius moved from zero to  1.0
9209  H    LYS   992 is charged! Radius moved from zero to  1.0
9217  H    VAL   993 is charged! Radius moved from zero to  1.0
9226  H    LEU   994 is charged! Radius moved from zero to  1.0
9239  H    LYS   995 is charged! Radius moved from zero to  1.0
9247  H    GLN   996 is charged! Radius moved from zero to  1.0
9248  HE22 GLN   996 is charged! Radius moved from zero to  1.0
9251  HE21 GLN   996 is charged! Radius moved from zero to  1.0
9259  H    VAL   997 is charged! Radius moved from zero to  1.0
9266  H    HIS   998 is charged! Radius moved from zero to  1.0
9290  H    ASP  1000 is charged! Radius moved from zero to  1.0
9298  H    THR  1001 is charged! Radius moved from zero to  1.0
9299  HG1  THR  1001 is charged! Radius moved from zero to  1.0
9304  H    GLY  1002 is charged! Radius moved from zero to  1.0
9313  H    ILE  1003 is charged! Radius moved from zero to  1.0
9320  H    SER  1004 is charged! Radius moved from zero to  1.0
9321  HG   SER  1004 is charged! Radius moved from zero to  1.0
9328  H    SER  1005 is charged! Radius moved from zero to  1.0
9329  HG   SER  1005 is charged! Radius moved from zero to  1.0
9342  H    LYS  1006 is charged! Radius moved from zero to  1.0
9348  H    ALA  1007 is charged! Radius moved from zero to  1.0
9357  H    MET  1008 is charged! Radius moved from zero to  1.0
9364  H    SER  1009 is charged! Radius moved from zero to  1.0
9365  HG   SER  1009 is charged! Radius moved from zero to  1.0
9374  H    ILE  1010 is charged! Radius moved from zero to  1.0
9383  H    MET  1011 is charged! Radius moved from zero to  1.0
9390  H    ASN  1012 is charged! Radius moved from zero to  1.0
9393  HD22 ASN  1012 is charged! Radius moved from zero to  1.0
9394  HD21 ASN  1012 is charged! Radius moved from zero to  1.0
9401  H    SER  1013 is charged! Radius moved from zero to  1.0
9402  HG   SER  1013 is charged! Radius moved from zero to  1.0
9417  H    PHE  1014 is charged! Radius moved from zero to  1.0
9427  H    VAL  1015 is charged! Radius moved from zero to  1.0
9434  H    ASN  1016 is charged! Radius moved from zero to  1.0
9437  HD22 ASN  1016 is charged! Radius moved from zero to  1.0
9438  HD21 ASN  1016 is charged! Radius moved from zero to  1.0
9447  H    ASP  1017 is charged! Radius moved from zero to  1.0
9455  H    VAL  1018 is charged! Radius moved from zero to  1.0
9470  H    PHE  1019 is charged! Radius moved from zero to  1.0
9482  H    GLU  1020 is charged! Radius moved from zero to  1.0
9497  H    ARG  1021 is charged! Radius moved from zero to  1.0
9508  H    ILE  1022 is charged! Radius moved from zero to  1.0
9514  H    ALA  1023 is charged! Radius moved from zero to  1.0
9519  H    GLY  1024 is charged! Radius moved from zero to  1.0
9529  H    GLU  1025 is charged! Radius moved from zero to  1.0
9535  H    ALA  1026 is charged! Radius moved from zero to  1.0
9542  H    SER  1027 is charged! Radius moved from zero to  1.0
9543  HG   SER  1027 is charged! Radius moved from zero to  1.0
9558  H    ARG  1028 is charged! Radius moved from zero to  1.0
9569  H    LEU  1029 is charged! Radius moved from zero to  1.0
9575  H    ALA  1030 is charged! Radius moved from zero to  1.0
9582  H    HIS  1031 is charged! Radius moved from zero to  1.0
9605  H    TYR  1032 is charged! Radius moved from zero to  1.0
9615  H    ASN  1033 is charged! Radius moved from zero to  1.0
9618  HD22 ASN  1033 is charged! Radius moved from zero to  1.0
9619  HD21 ASN  1033 is charged! Radius moved from zero to  1.0
9632  H    LYS  1034 is charged! Radius moved from zero to  1.0
9647  H    ARG  1035 is charged! Radius moved from zero to  1.0
9656  H    SER  1036 is charged! Radius moved from zero to  1.0
9657  HG   SER  1036 is charged! Radius moved from zero to  1.0
9665  H    THR  1037 is charged! Radius moved from zero to  1.0
9666  HG1  THR  1037 is charged! Radius moved from zero to  1.0
9675  H    ILE  1038 is charged! Radius moved from zero to  1.0
9683  H    THR  1039 is charged! Radius moved from zero to  1.0
9684  HG1  THR  1039 is charged! Radius moved from zero to  1.0
9691  H    SER  1040 is charged! Radius moved from zero to  1.0
9692  HG   SER  1040 is charged! Radius moved from zero to  1.0
9707  H    ARG  1041 is charged! Radius moved from zero to  1.0
9719  H    GLU  1042 is charged! Radius moved from zero to  1.0
9728  H    ILE  1043 is charged! Radius moved from zero to  1.0
9736  H    GLN  1044 is charged! Radius moved from zero to  1.0
9737  HE22 GLN  1044 is charged! Radius moved from zero to  1.0
9740  HE21 GLN  1044 is charged! Radius moved from zero to  1.0
9748  H    THR  1045 is charged! Radius moved from zero to  1.0
9749  HG1  THR  1045 is charged! Radius moved from zero to  1.0
9755  H    ALA  1046 is charged! Radius moved from zero to  1.0
9763  H    VAL  1047 is charged! Radius moved from zero to  1.0
9778  H    ARG  1048 is charged! Radius moved from zero to  1.0
9789  H    LEU  1049 is charged! Radius moved from zero to  1.0
9798  H    LEU  1050 is charged! Radius moved from zero to  1.0
9807  H    LEU  1051 is charged! Radius moved from zero to  1.0
9819  H    GLY  1053 is charged! Radius moved from zero to  1.0
9829  H    GLU  1054 is charged! Radius moved from zero to  1.0
9838  H    LEU  1055 is charged! Radius moved from zero to  1.0
9844  H    ALA  1056 is charged! Radius moved from zero to  1.0
9857  H    LYS  1057 is charged! Radius moved from zero to  1.0
9871  H    HIS  1058 is charged! Radius moved from zero to  1.0
9878  H    ALA  1059 is charged! Radius moved from zero to  1.0
9886  H    VAL  1060 is charged! Radius moved from zero to  1.0
9893  H    SER  1061 is charged! Radius moved from zero to  1.0
9894  HG   SER  1061 is charged! Radius moved from zero to  1.0
9904  H    GLU  1062 is charged! Radius moved from zero to  1.0
9909  H    GLY  1063 is charged! Radius moved from zero to  1.0
9917  H    THR  1064 is charged! Radius moved from zero to  1.0
9918  HG1  THR  1064 is charged! Radius moved from zero to  1.0
9931  H    LYS  1065 is charged! Radius moved from zero to  1.0
9937  H    ALA  1066 is charged! Radius moved from zero to  1.0
9945  H    VAL  1067 is charged! Radius moved from zero to  1.0
9953  H    THR  1068 is charged! Radius moved from zero to  1.0
9954  HG1  THR  1068 is charged! Radius moved from zero to  1.0
9967  H    LYS  1069 is charged! Radius moved from zero to  1.0
9982  H    TYR  1070 is charged! Radius moved from zero to  1.0
9993  H    THR  1071 is charged! Radius moved from zero to  1.0
9994  HG1  THR  1071 is charged! Radius moved from zero to  1.0
****  H    SER  1072 is charged! Radius moved from zero to  1.0
****  HG   SER  1072 is charged! Radius moved from zero to  1.0
****  H    ALA  1073 is charged! Radius moved from zero to  1.0
****  H    LYS  1074 is charged! Radius moved from zero to  1.0
 BE CAREFUL!! A WRONG ASSIGNMENT FOR THE RADIUS MIGHT LEAD TO INACCURATE REACTION FIELD ENERGY !!!
!!! WARNING : charge  N    SER   273 outside the box
!!! WARNING : charge  C    SER   273 outside the box
!!! WARNING : charge  O    SER   273 outside the box
!!! WARNING : charge  CB   SER   273 outside the box
!!! WARNING : charge  OG   SER   273 outside the box
!!! WARNING : charge  HG   SER   273 outside the box
!!! WARNING : charge  N    GLY   274 outside the box
!!! WARNING : charge  C    GLY   274 outside the box
!!! WARNING : charge  O    GLY   274 outside the box
!!! WARNING : charge  H    GLY   274 outside the box
!!! WARNING : charge  N    ARG   275 outside the box
!!! WARNING : charge  C    ARG   275 outside the box
!!! WARNING : charge  O    ARG   275 outside the box
!!! WARNING : charge  CD   ARG   275 outside the box
!!! WARNING : charge  NE   ARG   275 outside the box
!!! WARNING : charge  CZ   ARG   275 outside the box
!!! WARNING : charge  NH1  ARG   275 outside the box
!!! WARNING : charge  NH2  ARG   275 outside the box
!!! WARNING : charge  HE   ARG   275 outside the box
!!! WARNING : charge  HH22 ARG   275 outside the box
!!! WARNING : charge  HH21 ARG   275 outside the box
!!! WARNING : charge  H    ARG   275 outside the box
!!! WARNING : charge  HH12 ARG   275 outside the box
!!! WARNING : charge  HH11 ARG   275 outside the box
!!! WARNING : charge  N    GLY   276 outside the box
!!! WARNING : charge  C    GLY   276 outside the box
!!! WARNING : charge  O    GLY   276 outside the box
!!! WARNING : charge  H    GLY   276 outside the box
!!! WARNING : charge  N    LYS   277 outside the box
!!! WARNING : charge  C    LYS   277 outside the box
!!! WARNING : charge  O    LYS   277 outside the box
!!! WARNING : charge  CE   LYS   277 outside the box
!!! WARNING : charge  NZ   LYS   277 outside the box
!!! WARNING : charge  HZ1  LYS   277 outside the box
!!! WARNING : charge  HZ3  LYS   277 outside the box
!!! WARNING : charge  HZ2  LYS   277 outside the box
!!! WARNING : charge  H    LYS   277 outside the box
!!! WARNING : charge  N    GLN   278 outside the box
!!! WARNING : charge  C    GLN   278 outside the box
!!! WARNING : charge  O    GLN   278 outside the box
!!! WARNING : charge  CD   GLN   278 outside the box
!!! WARNING : charge  H    GLN   278 outside the box
!!! WARNING : charge  HE22 GLN   278 outside the box
!!! WARNING : charge  OE1  GLN   278 outside the box
!!! WARNING : charge  NE2  GLN   278 outside the box
!!! WARNING : charge  HE21 GLN   278 outside the box
!!! WARNING : charge  N    GLY   279 outside the box
!!! WARNING : charge  C    GLY   279 outside the box
!!! WARNING : charge  O    GLY   279 outside the box
!!! WARNING : charge  H    GLY   279 outside the box
!!! WARNING : charge  N    GLY   280 outside the box
!!! WARNING : charge  C    GLY   280 outside the box
!!! WARNING : charge  O    GLY   280 outside the box
!!! WARNING : charge  H    GLY   280 outside the box
!!! WARNING : charge  N    ALA   409 outside the box
!!! WARNING : charge  C    ALA   409 outside the box
!!! WARNING : charge  O    ALA   409 outside the box
!!! WARNING : charge  N    LYS   410 outside the box
!!! WARNING : charge  C    LYS   410 outside the box
!!! WARNING : charge  O    LYS   410 outside the box
!!! WARNING : charge  CE   LYS   410 outside the box
!!! WARNING : charge  NZ   LYS   410 outside the box
!!! WARNING : charge  HZ1  LYS   410 outside the box
!!! WARNING : charge  HZ3  LYS   410 outside the box
!!! WARNING : charge  HZ2  LYS   410 outside the box
!!! WARNING : charge  H    LYS   410 outside the box
!!! WARNING : charge  N    SER   411 outside the box
!!! WARNING : charge  C    SER   411 outside the box
!!! WARNING : charge  O    SER   411 outside the box
!!! WARNING : charge  H    SER   411 outside the box
!!! WARNING : charge  N    ALA   412 outside the box
!!! WARNING : charge  C    ALA   412 outside the box
!!! WARNING : charge  O    ALA   412 outside the box
!!! WARNING : charge  H    ALA   412 outside the box
!!! WARNING : charge  C    PRO   413 outside the box
!!! WARNING : charge  O    PRO   413 outside the box
!!! WARNING : charge  N    ALA   414 outside the box
!!! WARNING : charge  C    ALA   414 outside the box
!!! WARNING : charge  O    ALA   414 outside the box
!!! WARNING : charge  H    ALA   414 outside the box
!!! WARNING : charge  NZ   LYS   428 outside the box
!!! WARNING : charge  HZ3  LYS   428 outside the box
!!! WARNING : charge  HZ2  LYS   428 outside the box
!!! WARNING : charge  N    ALA   545 outside the box
!!! WARNING : charge  C    ALA   545 outside the box
!!! WARNING : charge  O    ALA   545 outside the box
!!! WARNING : charge  N    ARG   546 outside the box
!!! WARNING : charge  C    ARG   546 outside the box
!!! WARNING : charge  O    ARG   546 outside the box
!!! WARNING : charge  CD   ARG   546 outside the box
!!! WARNING : charge  NE   ARG   546 outside the box
!!! WARNING : charge  CZ   ARG   546 outside the box
!!! WARNING : charge  NH1  ARG   546 outside the box
!!! WARNING : charge  NH2  ARG   546 outside the box
!!! WARNING : charge  HE   ARG   546 outside the box
!!! WARNING : charge  HH22 ARG   546 outside the box
!!! WARNING : charge  HH21 ARG   546 outside the box
!!! WARNING : charge  H    ARG   546 outside the box
!!! WARNING : charge  HH12 ARG   546 outside the box
!!! WARNING : charge  HH11 ARG   546 outside the box
!!! WARNING : charge  N    THR   547 outside the box
!!! WARNING : charge  C    THR   547 outside the box
!!! WARNING : charge  O    THR   547 outside the box
!!! WARNING : charge  CB   THR   547 outside the box
!!! WARNING : charge  OG1  THR   547 outside the box
!!! WARNING : charge  H    THR   547 outside the box
!!! WARNING : charge  HG1  THR   547 outside the box
!!! WARNING : charge  N    LYS   548 outside the box
!!! WARNING : charge  C    LYS   548 outside the box
!!! WARNING : charge  O    LYS   548 outside the box
!!! WARNING : charge  CE   LYS   548 outside the box
!!! WARNING : charge  NZ   LYS   548 outside the box
!!! WARNING : charge  HZ1  LYS   548 outside the box
!!! WARNING : charge  HZ3  LYS   548 outside the box
!!! WARNING : charge  HZ2  LYS   548 outside the box
!!! WARNING : charge  H    LYS   548 outside the box
!!! WARNING : charge  N    GLN   549 outside the box
!!! WARNING : charge  C    GLN   549 outside the box
!!! WARNING : charge  O    GLN   549 outside the box
!!! WARNING : charge  CD   GLN   549 outside the box
!!! WARNING : charge  H    GLN   549 outside the box
!!! WARNING : charge  HE22 GLN   549 outside the box
!!! WARNING : charge  OE1  GLN   549 outside the box
!!! WARNING : charge  NE2  GLN   549 outside the box
!!! WARNING : charge  HE21 GLN   549 outside the box
!!! WARNING : charge  N    THR   550 outside the box
!!! WARNING : charge  C    THR   550 outside the box
!!! WARNING : charge  O    THR   550 outside the box
!!! WARNING : charge  CB   THR   550 outside the box
!!! WARNING : charge  OG1  THR   550 outside the box
!!! WARNING : charge  H    THR   550 outside the box
!!! WARNING : charge  HG1  THR   550 outside the box
!!! WARNING : charge  N    ALA   551 outside the box
!!! WARNING : charge  C    ALA   551 outside the box
!!! WARNING : charge  O    ALA   551 outside the box
!!! WARNING : charge  H    ALA   551 outside the box
!!! WARNING : charge  N    ARG   552 outside the box
!!! WARNING : charge  C    ARG   552 outside the box
!!! WARNING : charge  O    ARG   552 outside the box
!!! WARNING : charge  CD   ARG   552 outside the box
!!! WARNING : charge  NE   ARG   552 outside the box
!!! WARNING : charge  CZ   ARG   552 outside the box
!!! WARNING : charge  NH1  ARG   552 outside the box
!!! WARNING : charge  NH2  ARG   552 outside the box
!!! WARNING : charge  HE   ARG   552 outside the box
!!! WARNING : charge  HH22 ARG   552 outside the box
!!! WARNING : charge  HH21 ARG   552 outside the box
!!! WARNING : charge  H    ARG   552 outside the box
!!! WARNING : charge  HH12 ARG   552 outside the box
!!! WARNING : charge  HH11 ARG   552 outside the box
!!! WARNING : charge  N    LYS   553 outside the box
!!! WARNING : charge  C    LYS   553 outside the box
!!! WARNING : charge  O    LYS   553 outside the box
!!! WARNING : charge  CE   LYS   553 outside the box
!!! WARNING : charge  NZ   LYS   553 outside the box
!!! WARNING : charge  HZ1  LYS   553 outside the box
!!! WARNING : charge  HZ3  LYS   553 outside the box
!!! WARNING : charge  HZ2  LYS   553 outside the box
!!! WARNING : charge  H    LYS   553 outside the box
!!! WARNING : charge  N    SER   554 outside the box
!!! WARNING : charge  H    SER   554 outside the box
!!! WARNING : charge  O    LYS   558 outside the box
!!! WARNING : charge  H    LYS   558 outside the box
!!! WARNING : charge  N    SER   817 outside the box
!!! WARNING : charge  C    SER   817 outside the box
!!! WARNING : charge  O    SER   817 outside the box
!!! WARNING : charge  CB   SER   817 outside the box
!!! WARNING : charge  OG   SER   817 outside the box
!!! WARNING : charge  HG   SER   817 outside the box
!!! WARNING : charge  N    GLY   818 outside the box
!!! WARNING : charge  C    GLY   818 outside the box
!!! WARNING : charge  O    GLY   818 outside the box
!!! WARNING : charge  H    GLY   818 outside the box
!!! WARNING : charge  N    ARG   819 outside the box
!!! WARNING : charge  C    ARG   819 outside the box
!!! WARNING : charge  O    ARG   819 outside the box
!!! WARNING : charge  CD   ARG   819 outside the box
!!! WARNING : charge  NE   ARG   819 outside the box
!!! WARNING : charge  CZ   ARG   819 outside the box
!!! WARNING : charge  NH1  ARG   819 outside the box
!!! WARNING : charge  NH2  ARG   819 outside the box
!!! WARNING : charge  HE   ARG   819 outside the box
!!! WARNING : charge  HH22 ARG   819 outside the box
!!! WARNING : charge  HH21 ARG   819 outside the box
!!! WARNING : charge  H    ARG   819 outside the box
!!! WARNING : charge  HH12 ARG   819 outside the box
!!! WARNING : charge  HH11 ARG   819 outside the box
!!! WARNING : charge  N    GLY   820 outside the box
!!! WARNING : charge  C    GLY   820 outside the box
!!! WARNING : charge  O    GLY   820 outside the box
!!! WARNING : charge  H    GLY   820 outside the box
!!! WARNING : charge  N    LYS   821 outside the box
!!! WARNING : charge  C    LYS   821 outside the box
!!! WARNING : charge  O    LYS   821 outside the box
!!! WARNING : charge  CE   LYS   821 outside the box
!!! WARNING : charge  NZ   LYS   821 outside the box
!!! WARNING : charge  HZ1  LYS   821 outside the box
!!! WARNING : charge  HZ3  LYS   821 outside the box
!!! WARNING : charge  HZ2  LYS   821 outside the box
!!! WARNING : charge  H    LYS   821 outside the box
!!! WARNING : charge  N    GLN   822 outside the box
!!! WARNING : charge  C    GLN   822 outside the box
!!! WARNING : charge  O    GLN   822 outside the box
!!! WARNING : charge  CD   GLN   822 outside the box
!!! WARNING : charge  H    GLN   822 outside the box
!!! WARNING : charge  HE22 GLN   822 outside the box
!!! WARNING : charge  OE1  GLN   822 outside the box
!!! WARNING : charge  NE2  GLN   822 outside the box
!!! WARNING : charge  HE21 GLN   822 outside the box
!!! WARNING : charge  N    GLY   823 outside the box
!!! WARNING : charge  C    GLY   823 outside the box
!!! WARNING : charge  O    GLY   823 outside the box
!!! WARNING : charge  H    GLY   823 outside the box
!!! WARNING : charge  N    GLY   824 outside the box
!!! WARNING : charge  C    GLY   824 outside the box
!!! WARNING : charge  O    GLY   824 outside the box
!!! WARNING : charge  H    GLY   824 outside the box
!!! WARNING : charge  N    LYS   825 outside the box
!!! WARNING : charge  C    LYS   825 outside the box
!!! WARNING : charge  O    LYS   825 outside the box
!!! WARNING : charge  CE   LYS   825 outside the box
!!! WARNING : charge  NZ   LYS   825 outside the box
!!! WARNING : charge  HZ1  LYS   825 outside the box
!!! WARNING : charge  HZ3  LYS   825 outside the box
!!! WARNING : charge  HZ2  LYS   825 outside the box
!!! WARNING : charge  H    LYS   825 outside the box
!!! WARNING : charge  N    THR   826 outside the box
!!! WARNING : charge  C    THR   826 outside the box
!!! WARNING : charge  O    THR   826 outside the box
!!! WARNING : charge  CB   THR   826 outside the box
!!! WARNING : charge  OG1  THR   826 outside the box
!!! WARNING : charge  H    THR   826 outside the box
!!! WARNING : charge  HG1  THR   826 outside the box
!!! WARNING : charge  N    ARG   827 outside the box
!!! WARNING : charge  C    ARG   827 outside the box
!!! WARNING : charge  O    ARG   827 outside the box
!!! WARNING : charge  CD   ARG   827 outside the box
!!! WARNING : charge  NE   ARG   827 outside the box
!!! WARNING : charge  CZ   ARG   827 outside the box
!!! WARNING : charge  NH1  ARG   827 outside the box
!!! WARNING : charge  NH2  ARG   827 outside the box
!!! WARNING : charge  HE   ARG   827 outside the box
!!! WARNING : charge  HH22 ARG   827 outside the box
!!! WARNING : charge  HH21 ARG   827 outside the box
!!! WARNING : charge  H    ARG   827 outside the box
!!! WARNING : charge  HH12 ARG   827 outside the box
!!! WARNING : charge  HH11 ARG   827 outside the box
!!! WARNING : charge  N    ALA   828 outside the box
!!! WARNING : charge  C    ALA   828 outside the box
!!! WARNING : charge  O    ALA   828 outside the box
!!! WARNING : charge  H    ALA   828 outside the box
!!! WARNING : charge  N    LYS   829 outside the box
!!! WARNING : charge  H    LYS   829 outside the box
!!! WARNING : charge  H    ALA   830 outside the box
!!! WARNING : charge  N    ALA   953 outside the box
!!! WARNING : charge  C    ALA   953 outside the box
!!! WARNING : charge  O    ALA   953 outside the box
!!! WARNING : charge  N    LYS   954 outside the box
!!! WARNING : charge  C    LYS   954 outside the box
!!! WARNING : charge  O    LYS   954 outside the box
!!! WARNING : charge  CE   LYS   954 outside the box
!!! WARNING : charge  NZ   LYS   954 outside the box
!!! WARNING : charge  HZ1  LYS   954 outside the box
!!! WARNING : charge  HZ3  LYS   954 outside the box
!!! WARNING : charge  HZ2  LYS   954 outside the box
!!! WARNING : charge  H    LYS   954 outside the box
!!! WARNING : charge  N    SER   955 outside the box
!!! WARNING : charge  C    SER   955 outside the box
!!! WARNING : charge  O    SER   955 outside the box
!!! WARNING : charge  CB   SER   955 outside the box
!!! WARNING : charge  OG   SER   955 outside the box
!!! WARNING : charge  H    SER   955 outside the box
!!! WARNING : charge  HG   SER   955 outside the box
!!! WARNING : charge  N    ALA   956 outside the box
!!! WARNING : charge  C    ALA   956 outside the box
!!! WARNING : charge  O    ALA   956 outside the box
!!! WARNING : charge  H    ALA   956 outside the box
!!! WARNING : charge  C    PRO   957 outside the box
!!! WARNING : charge  O    PRO   957 outside the box
!!! WARNING : charge  N    ALA   958 outside the box
!!! WARNING : charge  H    ALA   958 outside the box
!!! WARNING : charge  CE   LYS   964 outside the box
!!! WARNING : charge  N    LYS   965 outside the box
!!! WARNING : charge  C    LYS   965 outside the box
!!! WARNING : charge  O    LYS   965 outside the box
!!! WARNING : charge  CE   LYS   965 outside the box
!!! WARNING : charge  NZ   LYS   965 outside the box
!!! WARNING : charge  HZ1  LYS   965 outside the box
!!! WARNING : charge  HZ3  LYS   965 outside the box
!!! WARNING : charge  HZ2  LYS   965 outside the box
!!! WARNING : charge  H    LYS   965 outside the box
!!! WARNING : charge  N    ALA   966 outside the box
!!! WARNING : charge  C    ALA   966 outside the box
!!! WARNING : charge  O    ALA   966 outside the box
!!! WARNING : charge  H    ALA   966 outside the box
!!! WARNING : charge  N    VAL   967 outside the box
!!! WARNING : charge  C    VAL   967 outside the box
!!! WARNING : charge  O    VAL   967 outside the box
!!! WARNING : charge  H    VAL   967 outside the box
!!! WARNING : charge  N    THR   968 outside the box
!!! WARNING : charge  C    THR   968 outside the box
!!! WARNING : charge  O    THR   968 outside the box
!!! WARNING : charge  CB   THR   968 outside the box
!!! WARNING : charge  OG1  THR   968 outside the box
!!! WARNING : charge  H    THR   968 outside the box
!!! WARNING : charge  HG1  THR   968 outside the box
!!! WARNING : charge  N    LYS   969 outside the box
!!! WARNING : charge  C    LYS   969 outside the box
!!! WARNING : charge  O    LYS   969 outside the box
!!! WARNING : charge  CE   LYS   969 outside the box
!!! WARNING : charge  NZ   LYS   969 outside the box
!!! WARNING : charge  HZ1  LYS   969 outside the box
!!! WARNING : charge  HZ3  LYS   969 outside the box
!!! WARNING : charge  HZ2  LYS   969 outside the box
!!! WARNING : charge  H    LYS   969 outside the box
!!! WARNING : charge  N    THR   970 outside the box
!!! WARNING : charge  C    THR   970 outside the box
!!! WARNING : charge  O    THR   970 outside the box
!!! WARNING : charge  CB   THR   970 outside the box
!!! WARNING : charge  OG1  THR   970 outside the box
!!! WARNING : charge  H    THR   970 outside the box
!!! WARNING : charge  HG1  THR   970 outside the box
!!! WARNING : charge  N    GLN   971 outside the box
!!! WARNING : charge  C    GLN   971 outside the box
!!! WARNING : charge  O    GLN   971 outside the box
!!! WARNING : charge  CD   GLN   971 outside the box
!!! WARNING : charge  H    GLN   971 outside the box
!!! WARNING : charge  HE22 GLN   971 outside the box
!!! WARNING : charge  OE1  GLN   971 outside the box
!!! WARNING : charge  NE2  GLN   971 outside the box
!!! WARNING : charge  HE21 GLN   971 outside the box
!!! WARNING : charge  N    LYS   972 outside the box
!!! WARNING : charge  CE   LYS   972 outside the box
!!! WARNING : charge  NZ   LYS   972 outside the box
!!! WARNING : charge  HZ1  LYS   972 outside the box
!!! WARNING : charge  HZ3  LYS   972 outside the box
!!! WARNING : charge  HZ2  LYS   972 outside the box
!!! WARNING : charge  H    LYS   972 outside the box
!!! WARNING : charge  CE   LYS   973 outside the box
!!! WARNING : charge  NZ   LYS   973 outside the box
!!! WARNING : charge  HZ1  LYS   973 outside the box
!!! WARNING : charge  HZ3  LYS   973 outside the box
!!! WARNING : charge  HZ2  LYS   973 outside the box
!!! WARNING : charge  CE   LYS  1074 outside the box
!!! WARNING : charge  NZ   LYS  1074 outside the box
!!! WARNING : charge  HZ1  LYS  1074 outside the box
!!! WARNING : charge  HZ3  LYS  1074 outside the box
!!! WARNING : charge  HZ2  LYS  1074 outside the box
!!! WARNING : charge  O1P  GUA  1165 outside the box
!!! WARNING : charge  C4'  GUA  1183 outside the box
!!! WARNING : charge  O4'  GUA  1183 outside the box
!!! WARNING : charge  O3'  GUA  1183 outside the box
!!! WARNING : charge  C1'  GUA  1183 outside the box
!!! WARNING : charge  N9   GUA  1183 outside the box
!!! WARNING : charge  N1   GUA  1183 outside the box
!!! WARNING : charge  C2   GUA  1183 outside the box
!!! WARNING : charge  N2   GUA  1183 outside the box
!!! WARNING : charge  N3   GUA  1183 outside the box
!!! WARNING : charge  C4   GUA  1183 outside the box
!!! WARNING : charge  H22  GUA  1183 outside the box
!!! WARNING : charge  H21  GUA  1183 outside the box
!!! WARNING : charge  P    THY  1184 outside the box
!!! WARNING : charge  O1P  THY  1184 outside the box
!!! WARNING : charge  O2P  THY  1184 outside the box
!!! WARNING : charge  O5'  THY  1184 outside the box
!!! WARNING : charge  C4'  THY  1184 outside the box
!!! WARNING : charge  O4'  THY  1184 outside the box
!!! WARNING : charge  O3'  THY  1184 outside the box
!!! WARNING : charge  C1'  THY  1184 outside the box
!!! WARNING : charge  N1   THY  1184 outside the box
!!! WARNING : charge  C2   THY  1184 outside the box
!!! WARNING : charge  N3   THY  1184 outside the box
!!! WARNING : charge  C4   THY  1184 outside the box
!!! WARNING : charge  C6   THY  1184 outside the box
!!! WARNING : charge  H6   THY  1184 outside the box
!!! WARNING : charge  P    ADE  1185 outside the box
!!! WARNING : charge  O1P  ADE  1185 outside the box
!!! WARNING : charge  O2P  ADE  1185 outside the box
!!! WARNING : charge  O5'  ADE  1185 outside the box
!!! WARNING : charge  C4'  ADE  1185 outside the box
!!! WARNING : charge  O4'  ADE  1185 outside the box
!!! WARNING : charge  O3'  ADE  1185 outside the box
!!! WARNING : charge  C1'  ADE  1185 outside the box
!!! WARNING : charge  N9   ADE  1185 outside the box
!!! WARNING : charge  C8   ADE  1185 outside the box
!!! WARNING : charge  N7   ADE  1185 outside the box
!!! WARNING : charge  C6   ADE  1185 outside the box
!!! WARNING : charge  C2   ADE  1185 outside the box
!!! WARNING : charge  N3   ADE  1185 outside the box
!!! WARNING : charge  C4   ADE  1185 outside the box
!!! WARNING : charge  P    THY  1186 outside the box
!!! WARNING : charge  O1P  THY  1186 outside the box
!!! WARNING : charge  O2P  THY  1186 outside the box
!!! WARNING : charge  O5'  THY  1186 outside the box
!!! WARNING : charge  C4'  THY  1186 outside the box
!!! WARNING : charge  O4'  THY  1186 outside the box
!!! WARNING : charge  O3'  THY  1186 outside the box
!!! WARNING : charge  C1'  THY  1186 outside the box
!!! WARNING : charge  N1   THY  1186 outside the box
!!! WARNING : charge  C2   THY  1186 outside the box
!!! WARNING : charge  N3   THY  1186 outside the box
!!! WARNING : charge  C4   THY  1186 outside the box
!!! WARNING : charge  O4   THY  1186 outside the box
!!! WARNING : charge  C6   THY  1186 outside the box
!!! WARNING : charge  H6   THY  1186 outside the box
!!! WARNING : charge  P    THY  1187 outside the box
!!! WARNING : charge  O1P  THY  1187 outside the box
!!! WARNING : charge  O2P  THY  1187 outside the box
!!! WARNING : charge  O5'  THY  1187 outside the box
!!! WARNING : charge  C4'  THY  1187 outside the box
!!! WARNING : charge  O4'  THY  1187 outside the box
!!! WARNING : charge  O3'  THY  1187 outside the box
!!! WARNING : charge  C1'  THY  1187 outside the box
!!! WARNING : charge  N1   THY  1187 outside the box
!!! WARNING : charge  C4   THY  1187 outside the box
!!! WARNING : charge  O4   THY  1187 outside the box
!!! WARNING : charge  C6   THY  1187 outside the box
!!! WARNING : charge  H6   THY  1187 outside the box
!!! WARNING : charge  P    THY  1188 outside the box
!!! WARNING : charge  O2P  THY  1188 outside the box
!!! WARNING : charge  O4   THY  1188 outside the box
!!! WARNING : charge  P    THY  1257 outside the box
!!! WARNING : charge  O1P  THY  1257 outside the box
!!! WARNING : charge  O2P  THY  1257 outside the box
!!! WARNING : charge  O5'  THY  1257 outside the box
!!! WARNING : charge  O3'  THY  1257 outside the box
!!! WARNING : charge  P    CYT  1258 outside the box
!!! WARNING : charge  O1P  CYT  1258 outside the box
!!! WARNING : charge  O2P  CYT  1258 outside the box
!!! WARNING : charge  O5'  CYT  1258 outside the box
!!! WARNING : charge  C4'  CYT  1258 outside the box
!!! WARNING : charge  O3'  CYT  1258 outside the box
!!! WARNING : charge  C1'  CYT  1258 outside the box
!!! WARNING : charge  C6   CYT  1258 outside the box
!!! WARNING : charge  H6   CYT  1258 outside the box
!!! WARNING : charge  H5   CYT  1258 outside the box
!!! WARNING : charge  P    CYT  1259 outside the box
!!! WARNING : charge  O1P  CYT  1259 outside the box
!!! WARNING : charge  O2P  CYT  1259 outside the box
!!! WARNING : charge  O5'  CYT  1259 outside the box
!!! WARNING : charge  C4'  CYT  1259 outside the box
!!! WARNING : charge  O3'  CYT  1259 outside the box
!!! WARNING : charge  C1'  CYT  1259 outside the box
!!! WARNING : charge  N1   CYT  1259 outside the box
!!! WARNING : charge  C4   CYT  1259 outside the box
!!! WARNING : charge  N4   CYT  1259 outside the box
!!! WARNING : charge  C5   CYT  1259 outside the box
!!! WARNING : charge  C6   CYT  1259 outside the box
!!! WARNING : charge  H6   CYT  1259 outside the box
!!! WARNING : charge  H5   CYT  1259 outside the box
!!! WARNING : charge  H42  CYT  1259 outside the box
!!! WARNING : charge  P    ADE  1260 outside the box
!!! WARNING : charge  O1P  ADE  1260 outside the box
!!! WARNING : charge  O2P  ADE  1260 outside the box
!!! WARNING : charge  N7   ADE  1260 outside the box
!!! WARNING : charge  C6   ADE  1260 outside the box
!!! WARNING : charge  N6   ADE  1260 outside the box
!!! WARNING : charge  H61  ADE  1260 outside the box
!!! WARNING : charge  H62  ADE  1260 outside the box
!!! WARNING : charge  C6   ADE  1261 outside the box
!!! WARNING : charge  N6   ADE  1261 outside the box
!!! WARNING : charge  H61  ADE  1261 outside the box
!!! WARNING : charge  H62  ADE  1261 outside the box
!!! WARNING : charge  C6   ADE  1262 outside the box
!!! WARNING : charge  N6   ADE  1262 outside the box
!!! WARNING : charge  N1   ADE  1262 outside the box
!!! WARNING : charge  H61  ADE  1262 outside the box
!!! WARNING : charge  H62  ADE  1262 outside the box
!!! WARNING : charge  N3   THY  1263 outside the box
!!! WARNING : charge  C4'  ADE  1264 outside the box
!!! WARNING : charge  O4'  ADE  1264 outside the box
!!! WARNING : charge  O3'  ADE  1264 outside the box
!!! WARNING : charge  C1'  ADE  1264 outside the box
!!! WARNING : charge  N9   ADE  1264 outside the box
!!! WARNING : charge  C6   ADE  1264 outside the box
!!! WARNING : charge  N6   ADE  1264 outside the box
!!! WARNING : charge  N1   ADE  1264 outside the box
!!! WARNING : charge  C2   ADE  1264 outside the box
!!! WARNING : charge  N3   ADE  1264 outside the box
!!! WARNING : charge  C4   ADE  1264 outside the box
!!! WARNING : charge  H61  ADE  1264 outside the box
!!! WARNING : charge  P    CYT  1265 outside the box
!!! WARNING : charge  O1P  CYT  1265 outside the box
!!! WARNING : charge  O2P  CYT  1265 outside the box
!!! WARNING : charge  O5'  CYT  1265 outside the box
!!! WARNING : charge  C4'  CYT  1265 outside the box
!!! WARNING : charge  O4'  CYT  1265 outside the box
!!! WARNING : charge  O3'  CYT  1265 outside the box
!!! WARNING : charge  C1'  CYT  1265 outside the box
!!! WARNING : charge  N1   CYT  1265 outside the box
!!! WARNING : charge  C2   CYT  1265 outside the box
!!! WARNING : charge  N3   CYT  1265 outside the box
!!! WARNING : charge  C4   CYT  1265 outside the box
!!! WARNING : charge  N4   CYT  1265 outside the box
!!! WARNING : charge  C5   CYT  1265 outside the box
!!! WARNING : charge  C6   CYT  1265 outside the box
!!! WARNING : charge  H6   CYT  1265 outside the box
!!! WARNING : charge  H5   CYT  1265 outside the box
!!! WARNING : charge  H41  CYT  1265 outside the box
!!! WARNING : charge  P    ADE  1266 outside the box
!!! WARNING : charge  O1P  ADE  1266 outside the box
!!! WARNING : charge  O2P  ADE  1266 outside the box
!!! WARNING : charge  O5'  ADE  1266 outside the box
!!! WARNING : charge  C4'  ADE  1266 outside the box
!!! WARNING : charge  O4'  ADE  1266 outside the box
!!! WARNING : charge  O3'  ADE  1266 outside the box
!!! WARNING : charge  C1'  ADE  1266 outside the box
!!! WARNING : charge  N9   ADE  1266 outside the box
!!! WARNING : charge  C8   ADE  1266 outside the box
!!! WARNING : charge  N7   ADE  1266 outside the box
!!! WARNING : charge  C6   ADE  1266 outside the box
!!! WARNING : charge  N6   ADE  1266 outside the box
!!! WARNING : charge  N1   ADE  1266 outside the box
!!! WARNING : charge  C2   ADE  1266 outside the box
!!! WARNING : charge  N3   ADE  1266 outside the box
!!! WARNING : charge  C4   ADE  1266 outside the box
!!! WARNING : charge  H61  ADE  1266 outside the box
!!! WARNING : charge  H62  ADE  1266 outside the box
!!! WARNING : charge  P    CYT  1267 outside the box
!!! WARNING : charge  O1P  CYT  1267 outside the box
!!! WARNING : charge  O2P  CYT  1267 outside the box
!!! WARNING : charge  O5'  CYT  1267 outside the box
!!! WARNING : charge  C4'  CYT  1267 outside the box
!!! WARNING : charge  O4'  CYT  1267 outside the box
!!! WARNING : charge  O3'  CYT  1267 outside the box
!!! WARNING : charge  C1'  CYT  1267 outside the box
!!! WARNING : charge  N1   CYT  1267 outside the box
!!! WARNING : charge  C2   CYT  1267 outside the box
!!! WARNING : charge  N3   CYT  1267 outside the box
!!! WARNING : charge  C4   CYT  1267 outside the box
!!! WARNING : charge  N4   CYT  1267 outside the box
!!! WARNING : charge  C5   CYT  1267 outside the box
!!! WARNING : charge  C6   CYT  1267 outside the box
!!! WARNING : charge  H6   CYT  1267 outside the box
!!! WARNING : charge  H5   CYT  1267 outside the box
!!! WARNING : charge  H42  CYT  1267 outside the box
!!! WARNING : charge  H41  CYT  1267 outside the box
!!! WARNING : charge  P    THY  1268 outside the box
!!! WARNING : charge  O1P  THY  1268 outside the box
!!! WARNING : charge  O2P  THY  1268 outside the box
!!! WARNING : charge  O5'  THY  1268 outside the box
!!! WARNING : charge  C4'  THY  1268 outside the box
!!! WARNING : charge  O4'  THY  1268 outside the box
!!! WARNING : charge  O3'  THY  1268 outside the box
!!! WARNING : charge  C1'  THY  1268 outside the box
!!! WARNING : charge  N1   THY  1268 outside the box
!!! WARNING : charge  C2   THY  1268 outside the box
!!! WARNING : charge  N3   THY  1268 outside the box
!!! WARNING : charge  C4   THY  1268 outside the box
!!! WARNING : charge  O4   THY  1268 outside the box
!!! WARNING : charge  C6   THY  1268 outside the box
!!! WARNING : charge  H6   THY  1268 outside the box
!!! WARNING : charge  P    THY  1269 outside the box
!!! WARNING : charge  O1P  THY  1269 outside the box
!!! WARNING : charge  O2P  THY  1269 outside the box
!!! WARNING : charge  O5'  THY  1269 outside the box
!!! WARNING : charge  C4'  THY  1269 outside the box
!!! WARNING : charge  O4'  THY  1269 outside the box
!!! WARNING : charge  O3'  THY  1269 outside the box
!!! WARNING : charge  C1'  THY  1269 outside the box
!!! WARNING : charge  N1   THY  1269 outside the box
!!! WARNING : charge  C2   THY  1269 outside the box
!!! WARNING : charge  N3   THY  1269 outside the box
!!! WARNING : charge  C4   THY  1269 outside the box
!!! WARNING : charge  O4   THY  1269 outside the box
!!! WARNING : charge  C6   THY  1269 outside the box
!!! WARNING : charge  H6   THY  1269 outside the box
!!! WARNING : charge  P    THY  1270 outside the box
!!! WARNING : charge  O1P  THY  1270 outside the box
!!! WARNING : charge  O2P  THY  1270 outside the box
!!! WARNING : charge  H61  ADE  1452 outside the box
!!! WARNING : charge  N1   GUA  1453 outside the box
!!! WARNING : charge  C2   GUA  1453 outside the box
!!! WARNING : charge  N2   GUA  1453 outside the box
!!! WARNING : charge  N3   GUA  1453 outside the box
!!! WARNING : charge  H22  GUA  1453 outside the box
!!! WARNING : charge  H21  GUA  1453 outside the box
!!! WARNING : charge  O5'  THY  1454 outside the box
!!! WARNING : charge  C4'  THY  1454 outside the box
!!! WARNING : charge  O4'  THY  1454 outside the box
!!! WARNING : charge  O3'  THY  1454 outside the box
!!! WARNING : charge  C1'  THY  1454 outside the box
!!! WARNING : charge  N1   THY  1454 outside the box
!!! WARNING : charge  C2   THY  1454 outside the box
!!! WARNING : charge  N3   THY  1454 outside the box
!!! WARNING : charge  C4   THY  1454 outside the box
!!! WARNING : charge  C6   THY  1454 outside the box
!!! WARNING : charge  H6   THY  1454 outside the box
!!! WARNING : charge  P    GUA  1455 outside the box
!!! WARNING : charge  O1P  GUA  1455 outside the box
!!! WARNING : charge  O2P  GUA  1455 outside the box
!!! WARNING : charge  O5'  GUA  1455 outside the box
!!! WARNING : charge  C4'  GUA  1455 outside the box
!!! WARNING : charge  O4'  GUA  1455 outside the box
!!! WARNING : charge  O3'  GUA  1455 outside the box
!!! WARNING : charge  C1'  GUA  1455 outside the box
!!! WARNING : charge  N9   GUA  1455 outside the box
!!! WARNING : charge  C8   GUA  1455 outside the box
!!! WARNING : charge  N7   GUA  1455 outside the box
!!! WARNING : charge  C6   GUA  1455 outside the box
!!! WARNING : charge  O6   GUA  1455 outside the box
!!! WARNING : charge  N1   GUA  1455 outside the box
!!! WARNING : charge  C2   GUA  1455 outside the box
!!! WARNING : charge  N2   GUA  1455 outside the box
!!! WARNING : charge  N3   GUA  1455 outside the box
!!! WARNING : charge  C4   GUA  1455 outside the box
!!! WARNING : charge  H22  GUA  1455 outside the box
!!! WARNING : charge  H21  GUA  1455 outside the box
!!! WARNING : charge  H8   GUA  1455 outside the box
!!! WARNING : charge  P    THY  1456 outside the box
!!! WARNING : charge  O1P  THY  1456 outside the box
!!! WARNING : charge  O2P  THY  1456 outside the box
!!! WARNING : charge  O5'  THY  1456 outside the box
!!! WARNING : charge  C4'  THY  1456 outside the box
!!! WARNING : charge  O4'  THY  1456 outside the box
!!! WARNING : charge  O3'  THY  1456 outside the box
!!! WARNING : charge  C1'  THY  1456 outside the box
!!! WARNING : charge  N1   THY  1456 outside the box
!!! WARNING : charge  C2   THY  1456 outside the box
!!! WARNING : charge  N3   THY  1456 outside the box
!!! WARNING : charge  C4   THY  1456 outside the box
!!! WARNING : charge  O4   THY  1456 outside the box
!!! WARNING : charge  C6   THY  1456 outside the box
!!! WARNING : charge  H6   THY  1456 outside the box
!!! WARNING : charge  P    ADE  1457 outside the box
!!! WARNING : charge  O1P  ADE  1457 outside the box
!!! WARNING : charge  O2P  ADE  1457 outside the box
!!! WARNING : charge  O5'  ADE  1457 outside the box
!!! WARNING : charge  C4'  ADE  1457 outside the box
!!! WARNING : charge  O4'  ADE  1457 outside the box
!!! WARNING : charge  O3'  ADE  1457 outside the box
!!! WARNING : charge  C1'  ADE  1457 outside the box
!!! WARNING : charge  N9   ADE  1457 outside the box
!!! WARNING : charge  C8   ADE  1457 outside the box
!!! WARNING : charge  N7   ADE  1457 outside the box
!!! WARNING : charge  C6   ADE  1457 outside the box
!!! WARNING : charge  N6   ADE  1457 outside the box
!!! WARNING : charge  N1   ADE  1457 outside the box
!!! WARNING : charge  C2   ADE  1457 outside the box
!!! WARNING : charge  N3   ADE  1457 outside the box
!!! WARNING : charge  C4   ADE  1457 outside the box
!!! WARNING : charge  H61  ADE  1457 outside the box
!!! WARNING : charge  H62  ADE  1457 outside the box
!!! WARNING : charge  P    THY  1458 outside the box
!!! WARNING : charge  O1P  THY  1458 outside the box
!!! WARNING : charge  O2P  THY  1458 outside the box
!!! WARNING : charge  O5'  THY  1458 outside the box
!!! WARNING : charge  C4'  THY  1458 outside the box
!!! WARNING : charge  O4'  THY  1458 outside the box
!!! WARNING : charge  O3'  THY  1458 outside the box
!!! WARNING : charge  C1'  THY  1458 outside the box
!!! WARNING : charge  N1   THY  1458 outside the box
!!! WARNING : charge  C2   THY  1458 outside the box
!!! WARNING : charge  N3   THY  1458 outside the box
!!! WARNING : charge  C4   THY  1458 outside the box
!!! WARNING : charge  O4   THY  1458 outside the box
!!! WARNING : charge  C6   THY  1458 outside the box
!!! WARNING : charge  H6   THY  1458 outside the box
!!! WARNING : charge  P    THY  1459 outside the box
!!! WARNING : charge  O1P  THY  1459 outside the box
!!! WARNING : charge  O2P  THY  1459 outside the box
!!! WARNING : charge  O5'  THY  1459 outside the box
!!! WARNING : charge  C4'  THY  1459 outside the box
!!! WARNING : charge  O4'  THY  1459 outside the box
!!! WARNING : charge  O3'  THY  1459 outside the box
!!! WARNING : charge  C1'  THY  1459 outside the box
!!! WARNING : charge  N1   THY  1459 outside the box
!!! WARNING : charge  C2   THY  1459 outside the box
!!! WARNING : charge  N3   THY  1459 outside the box
!!! WARNING : charge  C4   THY  1459 outside the box
!!! WARNING : charge  O4   THY  1459 outside the box
!!! WARNING : charge  C6   THY  1459 outside the box
!!! WARNING : charge  H6   THY  1459 outside the box
!!! WARNING : charge  O2P  THY  1460 outside the box
!!! WARNING : charge  C4   THY  1460 outside the box
!!! WARNING : charge  O4   THY  1460 outside the box
!!! WARNING : charge  H6   THY  1460 outside the box
!!! WARNING : charge  P    THY  1529 outside the box
!!! WARNING : charge  O1P  THY  1529 outside the box
!!! WARNING : charge  O2P  THY  1529 outside the box
!!! WARNING : charge  O5'  THY  1529 outside the box
!!! WARNING : charge  O3'  THY  1529 outside the box
!!! WARNING : charge  P    CYT  1530 outside the box
!!! WARNING : charge  O1P  CYT  1530 outside the box
!!! WARNING : charge  O2P  CYT  1530 outside the box
!!! WARNING : charge  O5'  CYT  1530 outside the box
!!! WARNING : charge  H6   CYT  1530 outside the box
!!! WARNING : charge  O2P  CYT  1531 outside the box
!!! WARNING : charge  H5   CYT  1531 outside the box
!!! WARNING : charge  O3'  ADE  1536 outside the box
!!! WARNING : charge  N1   ADE  1536 outside the box
!!! WARNING : charge  C2   ADE  1536 outside the box
!!! WARNING : charge  N3   ADE  1536 outside the box
!!! WARNING : charge  P    CYT  1537 outside the box
!!! WARNING : charge  O1P  CYT  1537 outside the box
!!! WARNING : charge  O2P  CYT  1537 outside the box
!!! WARNING : charge  O5'  CYT  1537 outside the box
!!! WARNING : charge  C4'  CYT  1537 outside the box
!!! WARNING : charge  O4'  CYT  1537 outside the box
!!! WARNING : charge  O3'  CYT  1537 outside the box
!!! WARNING : charge  C1'  CYT  1537 outside the box
!!! WARNING : charge  N1   CYT  1537 outside the box
!!! WARNING : charge  C2   CYT  1537 outside the box
!!! WARNING : charge  P    ADE  1538 outside the box
!!! WARNING : charge  O1P  ADE  1538 outside the box
!!! WARNING : charge  O2P  ADE  1538 outside the box
!!! WARNING : charge  O5'  ADE  1538 outside the box
!!! WARNING : charge  C4'  ADE  1538 outside the box
!!! WARNING : charge  O4'  ADE  1538 outside the box
!!! WARNING : charge  O3'  ADE  1538 outside the box
!!! WARNING : charge  C1'  ADE  1538 outside the box
!!! WARNING : charge  N9   ADE  1538 outside the box
!!! WARNING : charge  C8   ADE  1538 outside the box
!!! WARNING : charge  N7   ADE  1538 outside the box
!!! WARNING : charge  C2   ADE  1538 outside the box
!!! WARNING : charge  N3   ADE  1538 outside the box
!!! WARNING : charge  C4   ADE  1538 outside the box
!!! WARNING : charge  P    CYT  1539 outside the box
!!! WARNING : charge  O1P  CYT  1539 outside the box
!!! WARNING : charge  O2P  CYT  1539 outside the box
!!! WARNING : charge  O5'  CYT  1539 outside the box
!!! WARNING : charge  C4'  CYT  1539 outside the box
!!! WARNING : charge  O4'  CYT  1539 outside the box
!!! WARNING : charge  O3'  CYT  1539 outside the box
!!! WARNING : charge  C1'  CYT  1539 outside the box
!!! WARNING : charge  N1   CYT  1539 outside the box
!!! WARNING : charge  C6   CYT  1539 outside the box
!!! WARNING : charge  H6   CYT  1539 outside the box
!!! WARNING : charge  P    THY  1540 outside the box
!!! WARNING : charge  O1P  THY  1540 outside the box
!!! WARNING : charge  O2P  THY  1540 outside the box
!!! WARNING : charge  O5'  THY  1540 outside the box
!!! WARNING : charge  C4'  THY  1540 outside the box
!!! WARNING : charge  O4'  THY  1540 outside the box
!!! WARNING : charge  O3'  THY  1540 outside the box
!!! WARNING : charge  H6   THY  1540 outside the box
!!! WARNING : charge  O1P  THY  1541 outside the box
!!! WARNING : charge  O1P  THY  1551 outside the box
!!! WARNING : charge  NA+  NA+  1692 outside the box
!!! WARNING : charge  NA+  NA+  1692 outside the box
!!! WARNING : charge  NA+  NA+  1692 outside the box
 CHARGES OUTSIDE THE BOX AND NOT DOING FOCUSSING,THEREFORE STOP
