 realsiz ==            4
 atom radii read from file
 DataBaseT.siz
  
 ! Hydrogen atoms have 0.001 radii because                   
 ! DelPhi complains if H has charge and no                   
 ! radii. It does not change final results                   
 # of radius parameter records:        1186
  
 atomic charges read from file
 DataBaseT.crg
  
 !aminoacids from 54a7                                       
 # of charge parameter records:        1179
 assigning charges and radii...
  
 opening formatted file:frame00100.pdb
 Delphi Format Number =            0
 You are not reading from an objectfile!
 Assuming having only molecules, and one medium
 You are not reading from an objectfile! assuming       having only molecules, and one dielectric medium
 number of atoms read in =         2298
 in setrc, iatrad= F
!!! WARNING: no radius record for   H1  ILE     1
 atminfo=  H1  ILE     1
 rad3[           2 ]=   0.00000000    
!!! WARNING: no radius record for   H2  ILE     1
 atminfo=  H2  ILE     1
 rad3[           3 ]=   0.00000000    
!!! WARNING: no radius record for   H3  ILE     1
 atminfo=  H3  ILE     1
 rad3[           4 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GLN     2
 atminfo= 1HE2 GLN     2
 rad3[          20 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GLN     2
 atminfo= 2HE2 GLN     2
 rad3[          21 ]=   0.00000000    
!!! WARNING: no radius record for  1HH1 ARG     3
 atminfo= 1HH1 ARG     3
 rad3[          34 ]=   0.00000000    
!!! WARNING: no radius record for  2HH1 ARG     3
 atminfo= 2HH1 ARG     3
 rad3[          35 ]=   0.00000000    
!!! WARNING: no radius record for  1HH2 ARG     3
 atminfo= 1HH2 ARG     3
 rad3[          37 ]=   0.00000000    
!!! WARNING: no radius record for  2HH2 ARG     3
 atminfo= 2HH2 ARG     3
 rad3[          38 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GLN     8
 atminfo= 1HE2 GLN     8
 rad3[          87 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GLN     8
 atminfo= 2HE2 GLN     8
 rad3[          88 ]=   0.00000000    
!!! WARNING: no radius record for  1HH1 ARG    12
 atminfo= 1HH1 ARG    12
 rad3[         135 ]=   0.00000000    
!!! WARNING: no radius record for  2HH1 ARG    12
 atminfo= 2HH1 ARG    12
 rad3[         136 ]=   0.00000000    
!!! WARNING: no radius record for  1HH2 ARG    12
 atminfo= 1HH2 ARG    12
 rad3[         138 ]=   0.00000000    
!!! WARNING: no radius record for  2HH2 ARG    12
 atminfo= 2HH2 ARG    12
 rad3[         139 ]=   0.00000000    
!!! WARNING: no radius record for  1HE1 GL4    16
 atminfo= 1HE1 GL4    16
 rad3[         177 ]=   0.00000000    
!!! WARNING: no radius record for  2HE1 GL4    16
 atminfo= 2HE1 GL4    16
 rad3[         178 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GL4    16
 atminfo= 1HE2 GL4    16
 rad3[         180 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GL4    16
 atminfo= 2HE2 GL4    16
 rad3[         181 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 ASN    17
 atminfo= 1HD2 ASN    17
 rad3[         191 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 ASN    17
 atminfo= 2HD2 ASN    17
 rad3[         192 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 ASN    21
 atminfo= 1HD2 ASN    21
 rad3[         228 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 ASN    21
 atminfo= 2HD2 ASN    21
 rad3[         229 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 ASN    24
 atminfo= 1HD2 ASN    24
 rad3[         265 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 ASN    24
 atminfo= 2HD2 ASN    24
 rad3[         266 ]=   0.00000000    
!!! WARNING: no radius record for  1HD1 AS4    34
 atminfo= 1HD1 AS4    34
 rad3[         368 ]=   0.00000000    
!!! WARNING: no radius record for  2HD1 AS4    34
 atminfo= 2HD1 AS4    34
 rad3[         369 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 AS4    34
 atminfo= 1HD2 AS4    34
 rad3[         371 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 AS4    34
 atminfo= 2HD2 AS4    34
 rad3[         372 ]=   0.00000000    
!!! WARNING: no radius record for  1HE1 GL4    36
 atminfo= 1HE1 GL4    36
 rad3[         391 ]=   0.00000000    
!!! WARNING: no radius record for  2HE1 GL4    36
 atminfo= 2HE1 GL4    36
 rad3[         392 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GL4    36
 atminfo= 1HE2 GL4    36
 rad3[         394 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GL4    36
 atminfo= 2HE2 GL4    36
 rad3[         395 ]=   0.00000000    
!!! WARNING: no radius record for  1HD1 AS4    38
 atminfo= 1HD1 AS4    38
 rad3[         412 ]=   0.00000000    
!!! WARNING: no radius record for  2HD1 AS4    38
 atminfo= 2HD1 AS4    38
 rad3[         413 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 AS4    38
 atminfo= 1HD2 AS4    38
 rad3[         415 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 AS4    38
 atminfo= 2HD2 AS4    38
 rad3[         416 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 ASN    42
 atminfo= 1HD2 ASN    42
 rad3[         457 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 ASN    42
 atminfo= 2HD2 ASN    42
 rad3[         458 ]=   0.00000000    
!!! WARNING: no radius record for  1HE1 GL4    44
 atminfo= 1HE1 GL4    44
 rad3[         473 ]=   0.00000000    
!!! WARNING: no radius record for  2HE1 GL4    44
 atminfo= 2HE1 GL4    44
 rad3[         474 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GL4    44
 atminfo= 1HE2 GL4    44
 rad3[         476 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GL4    44
 atminfo= 2HE2 GL4    44
 rad3[         477 ]=   0.00000000    
!!! WARNING: no radius record for  1HH1 ARG    45
 atminfo= 1HH1 ARG    45
 rad3[         490 ]=   0.00000000    
!!! WARNING: no radius record for  2HH1 ARG    45
 atminfo= 2HH1 ARG    45
 rad3[         491 ]=   0.00000000    
!!! WARNING: no radius record for  1HH2 ARG    45
 atminfo= 1HH2 ARG    45
 rad3[         493 ]=   0.00000000    
!!! WARNING: no radius record for  2HH2 ARG    45
 atminfo= 2HH2 ARG    45
 rad3[         494 ]=   0.00000000    
!!! WARNING: no radius record for  1HE1 GL4    47
 atminfo= 1HE1 GL4    47
 rad3[         513 ]=   0.00000000    
!!! WARNING: no radius record for  2HE1 GL4    47
 atminfo= 2HE1 GL4    47
 rad3[         514 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GL4    47
 atminfo= 1HE2 GL4    47
 rad3[         516 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GL4    47
 atminfo= 2HE2 GL4    47
 rad3[         517 ]=   0.00000000    
!!! WARNING: no radius record for  1HE1 GL4    50
 atminfo= 1HE1 GL4    50
 rad3[         548 ]=   0.00000000    
!!! WARNING: no radius record for  2HE1 GL4    50
 atminfo= 2HE1 GL4    50
 rad3[         549 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GL4    50
 atminfo= 1HE2 GL4    50
 rad3[         551 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GL4    50
 atminfo= 2HE2 GL4    50
 rad3[         552 ]=   0.00000000    
!!! WARNING: no radius record for  1HD1 AS4    53
 atminfo= 1HD1 AS4    53
 rad3[         584 ]=   0.00000000    
!!! WARNING: no radius record for  2HD1 AS4    53
 atminfo= 2HD1 AS4    53
 rad3[         585 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 AS4    53
 atminfo= 1HD2 AS4    53
 rad3[         587 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 AS4    53
 atminfo= 2HD2 AS4    53
 rad3[         588 ]=   0.00000000    
!!! WARNING: no radius record for  1HD1 AS4    59
 atminfo= 1HD1 AS4    59
 rad3[         652 ]=   0.00000000    
!!! WARNING: no radius record for  2HD1 AS4    59
 atminfo= 2HD1 AS4    59
 rad3[         653 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 AS4    59
 atminfo= 1HD2 AS4    59
 rad3[         655 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 AS4    59
 atminfo= 2HD2 AS4    59
 rad3[         656 ]=   0.00000000    
!!! WARNING: no radius record for  1HE1 GL4    69
 atminfo= 1HE1 GL4    69
 rad3[         793 ]=   0.00000000    
!!! WARNING: no radius record for  2HE1 GL4    69
 atminfo= 2HE1 GL4    69
 rad3[         794 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GL4    69
 atminfo= 1HE2 GL4    69
 rad3[         796 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GL4    69
 atminfo= 2HE2 GL4    69
 rad3[         797 ]=   0.00000000    
!!! WARNING: no radius record for  1HE1 GL4    74
 atminfo= 1HE1 GL4    74
 rad3[         849 ]=   0.00000000    
!!! WARNING: no radius record for  2HE1 GL4    74
 atminfo= 2HE1 GL4    74
 rad3[         850 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GL4    74
 atminfo= 1HE2 GL4    74
 rad3[         852 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GL4    74
 atminfo= 2HE2 GL4    74
 rad3[         853 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 ASN    76
 atminfo= 1HD2 ASN    76
 rad3[         876 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 ASN    76
 atminfo= 2HD2 ASN    76
 rad3[         877 ]=   0.00000000    
!!! WARNING: no radius record for  1HE1 GL4    77
 atminfo= 1HE1 GL4    77
 rad3[         887 ]=   0.00000000    
!!! WARNING: no radius record for  2HE1 GL4    77
 atminfo= 2HE1 GL4    77
 rad3[         888 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GL4    77
 atminfo= 1HE2 GL4    77
 rad3[         890 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GL4    77
 atminfo= 2HE2 GL4    77
 rad3[         891 ]=   0.00000000    
!!! WARNING: no radius record for  1HH1 ARG    81
 atminfo= 1HH1 ARG    81
 rad3[         935 ]=   0.00000000    
!!! WARNING: no radius record for  2HH1 ARG    81
 atminfo= 2HH1 ARG    81
 rad3[         936 ]=   0.00000000    
!!! WARNING: no radius record for  1HH2 ARG    81
 atminfo= 1HH2 ARG    81
 rad3[         938 ]=   0.00000000    
!!! WARNING: no radius record for  2HH2 ARG    81
 atminfo= 2HH2 ARG    81
 rad3[         939 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 ASN    83
 atminfo= 1HD2 ASN    83
 rad3[         957 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 ASN    83
 atminfo= 2HD2 ASN    83
 rad3[         958 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GLN    89
 atminfo= 1HE2 GLN    89
 rad3[        1018 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GLN    89
 atminfo= 2HE2 GLN    89
 rad3[        1019 ]=   0.00000000    
!!! WARNING: no radius record for  1HD1 AS4    96
 atminfo= 1HD1 AS4    96
 rad3[        1099 ]=   0.00000000    
!!! WARNING: no radius record for  2HD1 AS4    96
 atminfo= 2HD1 AS4    96
 rad3[        1100 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 AS4    96
 atminfo= 1HD2 AS4    96
 rad3[        1102 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 AS4    96
 atminfo= 2HD2 AS4    96
 rad3[        1103 ]=   0.00000000    
!!! WARNING: no radius record for  1HH1 ARG    97
 atminfo= 1HH1 ARG    97
 rad3[        1116 ]=   0.00000000    
!!! WARNING: no radius record for  2HH1 ARG    97
 atminfo= 2HH1 ARG    97
 rad3[        1117 ]=   0.00000000    
!!! WARNING: no radius record for  1HH2 ARG    97
 atminfo= 1HH2 ARG    97
 rad3[        1119 ]=   0.00000000    
!!! WARNING: no radius record for  2HH2 ARG    97
 atminfo= 2HH2 ARG    97
 rad3[        1120 ]=   0.00000000    
!!! WARNING: no radius record for  1HD1 AS4    98
 atminfo= 1HD1 AS4    98
 rad3[        1129 ]=   0.00000000    
!!! WARNING: no radius record for  2HD1 AS4    98
 atminfo= 2HD1 AS4    98
 rad3[        1130 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 AS4    98
 atminfo= 1HD2 AS4    98
 rad3[        1132 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 AS4    98
 atminfo= 2HD2 AS4    98
 rad3[        1133 ]=   0.00000000    
!!! WARNING: no radius record for   O1  MET    99
 atminfo=  O1  MET    99
 rad3[        1144 ]=   0.00000000    
!!! WARNING: no radius record for  1HO1 MET    99
 atminfo= 1HO1 MET    99
 rad3[        1145 ]=   0.00000000    
!!! WARNING: no radius record for  2HO1 MET    99
 atminfo= 2HO1 MET    99
 rad3[        1146 ]=   0.00000000    
!!! WARNING: no radius record for   O2  MET    99
 atminfo=  O2  MET    99
 rad3[        1147 ]=   0.00000000    
!!! WARNING: no radius record for  1HO2 MET    99
 atminfo= 1HO2 MET    99
 rad3[        1148 ]=   0.00000000    
!!! WARNING: no radius record for  2HO2 MET    99
 atminfo= 2HO2 MET    99
 rad3[        1149 ]=   0.00000000    
!!! WARNING: no radius record for   H1  ILE   100
 atminfo=  H1  ILE   100
 rad3[        1151 ]=   0.00000000    
!!! WARNING: no radius record for   H2  ILE   100
 atminfo=  H2  ILE   100
 rad3[        1152 ]=   0.00000000    
!!! WARNING: no radius record for   H3  ILE   100
 atminfo=  H3  ILE   100
 rad3[        1153 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GLN   101
 atminfo= 1HE2 GLN   101
 rad3[        1169 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GLN   101
 atminfo= 2HE2 GLN   101
 rad3[        1170 ]=   0.00000000    
!!! WARNING: no radius record for  1HH1 ARG   102
 atminfo= 1HH1 ARG   102
 rad3[        1183 ]=   0.00000000    
!!! WARNING: no radius record for  2HH1 ARG   102
 atminfo= 2HH1 ARG   102
 rad3[        1184 ]=   0.00000000    
!!! WARNING: no radius record for  1HH2 ARG   102
 atminfo= 1HH2 ARG   102
 rad3[        1186 ]=   0.00000000    
!!! WARNING: no radius record for  2HH2 ARG   102
 atminfo= 2HH2 ARG   102
 rad3[        1187 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GLN   107
 atminfo= 1HE2 GLN   107
 rad3[        1236 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GLN   107
 atminfo= 2HE2 GLN   107
 rad3[        1237 ]=   0.00000000    
!!! WARNING: no radius record for  1HH1 ARG   111
 atminfo= 1HH1 ARG   111
 rad3[        1284 ]=   0.00000000    
!!! WARNING: no radius record for  2HH1 ARG   111
 atminfo= 2HH1 ARG   111
 rad3[        1285 ]=   0.00000000    
!!! WARNING: no radius record for  1HH2 ARG   111
 atminfo= 1HH2 ARG   111
 rad3[        1287 ]=   0.00000000    
!!! WARNING: no radius record for  2HH2 ARG   111
 atminfo= 2HH2 ARG   111
 rad3[        1288 ]=   0.00000000    
!!! WARNING: no radius record for  1HE1 GL4   115
 atminfo= 1HE1 GL4   115
 rad3[        1326 ]=   0.00000000    
!!! WARNING: no radius record for  2HE1 GL4   115
 atminfo= 2HE1 GL4   115
 rad3[        1327 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GL4   115
 atminfo= 1HE2 GL4   115
 rad3[        1329 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GL4   115
 atminfo= 2HE2 GL4   115
 rad3[        1330 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 ASN   116
 atminfo= 1HD2 ASN   116
 rad3[        1340 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 ASN   116
 atminfo= 2HD2 ASN   116
 rad3[        1341 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 ASN   120
 atminfo= 1HD2 ASN   120
 rad3[        1377 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 ASN   120
 atminfo= 2HD2 ASN   120
 rad3[        1378 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 ASN   123
 atminfo= 1HD2 ASN   123
 rad3[        1414 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 ASN   123
 atminfo= 2HD2 ASN   123
 rad3[        1415 ]=   0.00000000    
!!! WARNING: no radius record for  1HD1 AS4   133
 atminfo= 1HD1 AS4   133
 rad3[        1517 ]=   0.00000000    
!!! WARNING: no radius record for  2HD1 AS4   133
 atminfo= 2HD1 AS4   133
 rad3[        1518 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 AS4   133
 atminfo= 1HD2 AS4   133
 rad3[        1520 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 AS4   133
 atminfo= 2HD2 AS4   133
 rad3[        1521 ]=   0.00000000    
!!! WARNING: no radius record for  1HE1 GL4   135
 atminfo= 1HE1 GL4   135
 rad3[        1540 ]=   0.00000000    
!!! WARNING: no radius record for  2HE1 GL4   135
 atminfo= 2HE1 GL4   135
 rad3[        1541 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GL4   135
 atminfo= 1HE2 GL4   135
 rad3[        1543 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GL4   135
 atminfo= 2HE2 GL4   135
 rad3[        1544 ]=   0.00000000    
!!! WARNING: no radius record for  1HD1 AS4   137
 atminfo= 1HD1 AS4   137
 rad3[        1561 ]=   0.00000000    
!!! WARNING: no radius record for  2HD1 AS4   137
 atminfo= 2HD1 AS4   137
 rad3[        1562 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 AS4   137
 atminfo= 1HD2 AS4   137
 rad3[        1564 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 AS4   137
 atminfo= 2HD2 AS4   137
 rad3[        1565 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 ASN   141
 atminfo= 1HD2 ASN   141
 rad3[        1606 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 ASN   141
 atminfo= 2HD2 ASN   141
 rad3[        1607 ]=   0.00000000    
!!! WARNING: no radius record for  1HE1 GL4   143
 atminfo= 1HE1 GL4   143
 rad3[        1622 ]=   0.00000000    
!!! WARNING: no radius record for  2HE1 GL4   143
 atminfo= 2HE1 GL4   143
 rad3[        1623 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GL4   143
 atminfo= 1HE2 GL4   143
 rad3[        1625 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GL4   143
 atminfo= 2HE2 GL4   143
 rad3[        1626 ]=   0.00000000    
!!! WARNING: no radius record for  1HH1 ARG   144
 atminfo= 1HH1 ARG   144
 rad3[        1639 ]=   0.00000000    
!!! WARNING: no radius record for  2HH1 ARG   144
 atminfo= 2HH1 ARG   144
 rad3[        1640 ]=   0.00000000    
!!! WARNING: no radius record for  1HH2 ARG   144
 atminfo= 1HH2 ARG   144
 rad3[        1642 ]=   0.00000000    
!!! WARNING: no radius record for  2HH2 ARG   144
 atminfo= 2HH2 ARG   144
 rad3[        1643 ]=   0.00000000    
!!! WARNING: no radius record for  1HE1 GL4   146
 atminfo= 1HE1 GL4   146
 rad3[        1662 ]=   0.00000000    
!!! WARNING: no radius record for  2HE1 GL4   146
 atminfo= 2HE1 GL4   146
 rad3[        1663 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GL4   146
 atminfo= 1HE2 GL4   146
 rad3[        1665 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GL4   146
 atminfo= 2HE2 GL4   146
 rad3[        1666 ]=   0.00000000    
!!! WARNING: no radius record for  1HE1 GL4   149
 atminfo= 1HE1 GL4   149
 rad3[        1697 ]=   0.00000000    
!!! WARNING: no radius record for  2HE1 GL4   149
 atminfo= 2HE1 GL4   149
 rad3[        1698 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GL4   149
 atminfo= 1HE2 GL4   149
 rad3[        1700 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GL4   149
 atminfo= 2HE2 GL4   149
 rad3[        1701 ]=   0.00000000    
!!! WARNING: no radius record for  1HD1 AS4   152
 atminfo= 1HD1 AS4   152
 rad3[        1733 ]=   0.00000000    
!!! WARNING: no radius record for  2HD1 AS4   152
 atminfo= 2HD1 AS4   152
 rad3[        1734 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 AS4   152
 atminfo= 1HD2 AS4   152
 rad3[        1736 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 AS4   152
 atminfo= 2HD2 AS4   152
 rad3[        1737 ]=   0.00000000    
!!! WARNING: no radius record for  1HD1 AS4   158
 atminfo= 1HD1 AS4   158
 rad3[        1801 ]=   0.00000000    
!!! WARNING: no radius record for  2HD1 AS4   158
 atminfo= 2HD1 AS4   158
 rad3[        1802 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 AS4   158
 atminfo= 1HD2 AS4   158
 rad3[        1804 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 AS4   158
 atminfo= 2HD2 AS4   158
 rad3[        1805 ]=   0.00000000    
!!! WARNING: no radius record for  1HE1 GL4   168
 atminfo= 1HE1 GL4   168
 rad3[        1942 ]=   0.00000000    
!!! WARNING: no radius record for  2HE1 GL4   168
 atminfo= 2HE1 GL4   168
 rad3[        1943 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GL4   168
 atminfo= 1HE2 GL4   168
 rad3[        1945 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GL4   168
 atminfo= 2HE2 GL4   168
 rad3[        1946 ]=   0.00000000    
!!! WARNING: no radius record for  1HE1 GL4   173
 atminfo= 1HE1 GL4   173
 rad3[        1998 ]=   0.00000000    
!!! WARNING: no radius record for  2HE1 GL4   173
 atminfo= 2HE1 GL4   173
 rad3[        1999 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GL4   173
 atminfo= 1HE2 GL4   173
 rad3[        2001 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GL4   173
 atminfo= 2HE2 GL4   173
 rad3[        2002 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 ASN   175
 atminfo= 1HD2 ASN   175
 rad3[        2025 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 ASN   175
 atminfo= 2HD2 ASN   175
 rad3[        2026 ]=   0.00000000    
!!! WARNING: no radius record for  1HE1 GL4   176
 atminfo= 1HE1 GL4   176
 rad3[        2036 ]=   0.00000000    
!!! WARNING: no radius record for  2HE1 GL4   176
 atminfo= 2HE1 GL4   176
 rad3[        2037 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GL4   176
 atminfo= 1HE2 GL4   176
 rad3[        2039 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GL4   176
 atminfo= 2HE2 GL4   176
 rad3[        2040 ]=   0.00000000    
!!! WARNING: no radius record for  1HH1 ARG   180
 atminfo= 1HH1 ARG   180
 rad3[        2084 ]=   0.00000000    
!!! WARNING: no radius record for  2HH1 ARG   180
 atminfo= 2HH1 ARG   180
 rad3[        2085 ]=   0.00000000    
!!! WARNING: no radius record for  1HH2 ARG   180
 atminfo= 1HH2 ARG   180
 rad3[        2087 ]=   0.00000000    
!!! WARNING: no radius record for  2HH2 ARG   180
 atminfo= 2HH2 ARG   180
 rad3[        2088 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 ASN   182
 atminfo= 1HD2 ASN   182
 rad3[        2106 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 ASN   182
 atminfo= 2HD2 ASN   182
 rad3[        2107 ]=   0.00000000    
!!! WARNING: no radius record for  1HE2 GLN   188
 atminfo= 1HE2 GLN   188
 rad3[        2167 ]=   0.00000000    
!!! WARNING: no radius record for  2HE2 GLN   188
 atminfo= 2HE2 GLN   188
 rad3[        2168 ]=   0.00000000    
!!! WARNING: no radius record for  1HD1 AS4   195
 atminfo= 1HD1 AS4   195
 rad3[        2248 ]=   0.00000000    
!!! WARNING: no radius record for  2HD1 AS4   195
 atminfo= 2HD1 AS4   195
 rad3[        2249 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 AS4   195
 atminfo= 1HD2 AS4   195
 rad3[        2251 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 AS4   195
 atminfo= 2HD2 AS4   195
 rad3[        2252 ]=   0.00000000    
!!! WARNING: no radius record for  1HH1 ARG   196
 atminfo= 1HH1 ARG   196
 rad3[        2265 ]=   0.00000000    
!!! WARNING: no radius record for  2HH1 ARG   196
 atminfo= 2HH1 ARG   196
 rad3[        2266 ]=   0.00000000    
!!! WARNING: no radius record for  1HH2 ARG   196
 atminfo= 1HH2 ARG   196
 rad3[        2268 ]=   0.00000000    
!!! WARNING: no radius record for  2HH2 ARG   196
 atminfo= 2HH2 ARG   196
 rad3[        2269 ]=   0.00000000    
!!! WARNING: no radius record for  1HD1 AS4   197
 atminfo= 1HD1 AS4   197
 rad3[        2278 ]=   0.00000000    
!!! WARNING: no radius record for  2HD1 AS4   197
 atminfo= 2HD1 AS4   197
 rad3[        2279 ]=   0.00000000    
!!! WARNING: no radius record for  1HD2 AS4   197
 atminfo= 1HD2 AS4   197
 rad3[        2281 ]=   0.00000000    
!!! WARNING: no radius record for  2HD2 AS4   197
 atminfo= 2HD2 AS4   197
 rad3[        2282 ]=   0.00000000    
!!! WARNING: no radius record for   O1  MET   198
 atminfo=  O1  MET   198
 rad3[        2293 ]=   0.00000000    
!!! WARNING: no radius record for  1HO1 MET   198
 atminfo= 1HO1 MET   198
 rad3[        2294 ]=   0.00000000    
!!! WARNING: no radius record for  2HO1 MET   198
 atminfo= 2HO1 MET   198
 rad3[        2295 ]=   0.00000000    
!!! WARNING: no radius record for   O2  MET   198
 atminfo=  O2  MET   198
 rad3[        2296 ]=   0.00000000    
!!! WARNING: no radius record for  1HO2 MET   198
 atminfo= 1HO2 MET   198
 rad3[        2297 ]=   0.00000000    
!!! WARNING: no radius record for  2HO2 MET   198
 atminfo= 2HO2 MET   198
 rad3[        2298 ]=   0.00000000    
!!! WARNING: ILE    1 has a net charge of  -0.3100
!!! WARNING: GLN    2 has a net charge of  -0.8800
!!! WARNING: ARG    3 has a net charge of   0.0400
!!! WARNING: GLN    8 has a net charge of  -0.8800
!!! WARNING: ARG   12 has a net charge of   0.0400
!!! WARNING: ASN   17 has a net charge of  -0.8800
!!! WARNING: ASN   21 has a net charge of  -0.8800
!!! WARNING: ASN   24 has a net charge of  -0.8800
!!! WARNING: ASN   42 has a net charge of  -0.8800
!!! WARNING: ARG   45 has a net charge of   0.0400
!!! WARNING: ASN   76 has a net charge of  -0.8800
!!! WARNING: ARG   81 has a net charge of   0.0400
!!! WARNING: ASN   83 has a net charge of  -0.8800
!!! WARNING: GLN   89 has a net charge of  -0.8800
!!! WARNING: ARG   97 has a net charge of   0.0400
!!! WARNING: MET   99 has a net charge of   0.4500
!!! WARNING: ILE  100 has a net charge of  -0.3100
!!! WARNING: GLN  101 has a net charge of  -0.8800
!!! WARNING: ARG  102 has a net charge of   0.0400
!!! WARNING: GLN  107 has a net charge of  -0.8800
!!! WARNING: ARG  111 has a net charge of   0.0400
!!! WARNING: ASN  116 has a net charge of  -0.8800
!!! WARNING: ASN  120 has a net charge of  -0.8800
!!! WARNING: ASN  123 has a net charge of  -0.8800
!!! WARNING: ASN  141 has a net charge of  -0.8800
!!! WARNING: ARG  144 has a net charge of   0.0400
!!! WARNING: ASN  175 has a net charge of  -0.8800
!!! WARNING: ARG  180 has a net charge of   0.0400
!!! WARNING: ASN  182 has a net charge of  -0.8800
!!! WARNING: GLN  188 has a net charge of  -0.8800
!!! WARNING: ARG  196 has a net charge of   0.0400
!!! WARNING: MET  198 has a net charge of   0.4500
 Direct mapping of epsilon: (0/1)(n/y)           1
 cmin   51.0270004       48.4469986       1.67700005    
 cmax   95.4900055       98.3430023       65.1309967    
