Changes between Initial Version and Version 1 of Ticket #19961


Ignore:
Timestamp:
Mar 11, 2026, 9:12:44 AM (3 weeks ago)
Author:
Eric Pettersen
Comment:

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  • Ticket #19961

    • Property Component Unassigned → Window Toolkit
    • Property Owner set to Tom Goddard
    • Property Platform → all
    • Property Project → ChimeraX
    • Property Status new → assigned
    • Property Summary ChimeraX bug report submission → Crash in QDockWidget::event() in Qt 6.9.2

  • Ticket #19961 – Description

    initial v1  
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    3831 Duplicate atom serial number found: 4896 
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    3853 Duplicate atom serial number found: 4896 
    3854 Duplicate atom serial number found: 4897 
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    3875 Duplicate atom serial number found: 4896 
    3876 Duplicate atom serial number found: 4897 
    3877 Duplicate atom serial number found: 4898 
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    3887  
    3888 Ignored bad PDB record found on line 3612 
    3889 REMARK MEMBER_ENERGY : 61.140564 
    3890  
    3891 Ignored bad PDB record found on line 3613 
    3892 REMARK MEMBER_SCORE : 61.140564 
    3893  
    3894 6 messages similar to the above omitted 
    3895 Duplicate atom serial number found: 4894 
    3896 Duplicate atom serial number found: 4895 
    3897 Duplicate atom serial number found: 4896 
    3898 Duplicate atom serial number found: 4897 
    3899 Duplicate atom serial number found: 4898 
    3900 27 messages similar to the above omitted 
    3901 Ignored bad PDB record found on line 3653 
    3902 REMARK FILE_NAME : seed-1-7-0-3-2.crd 
    3903  
    3904 Ignored bad PDB record found on line 3654 
    3905 REMARK CLUSTER_NUM : 11 
    3906  
    3907 Ignored bad PDB record found on line 3655 
    3908 REMARK CLUSTER_MEMBER : 5 
    3909  
    3910 Ignored bad PDB record found on line 3656 
    3911 REMARK MEMBER_ENERGY : 78.219705 
    3912  
    3913 Ignored bad PDB record found on line 3657 
    3914 REMARK MEMBER_SCORE : 78.219705 
    3915  
    3916 6 messages similar to the above omitted 
    3917 Duplicate atom serial number found: 4894 
    3918 Duplicate atom serial number found: 4895 
    3919 Duplicate atom serial number found: 4896 
    3920 Duplicate atom serial number found: 4897 
    3921 Duplicate atom serial number found: 4898 
    3922 27 messages similar to the above omitted 
    3923 Ignored bad PDB record found on line 3697 
    3924 REMARK FILE_NAME : seed-1-2-0-3-2.crd 
    3925  
    3926 Ignored bad PDB record found on line 3698 
    3927 REMARK CLUSTER_NUM : 11 
    3928  
    3929 Ignored bad PDB record found on line 3699 
    3930 REMARK CLUSTER_MEMBER : 6 
    3931  
    3932 Ignored bad PDB record found on line 3700 
    3933 REMARK MEMBER_ENERGY : 78.424710 
    3934  
    3935 Ignored bad PDB record found on line 3701 
    3936 REMARK MEMBER_SCORE : 78.424710 
    3937  
    3938 6 messages similar to the above omitted 
    3939 Duplicate atom serial number found: 4894 
    3940 Duplicate atom serial number found: 4895 
    3941 Duplicate atom serial number found: 4896 
    3942 Duplicate atom serial number found: 4897 
    3943 Duplicate atom serial number found: 4898 
    3944 27 messages similar to the above omitted 
    3945 Ignored bad PDB record found on line 3741 
    3946 REMARK FILE_NAME : seed-1-50-0-0-2.crd 
    3947  
    3948 Ignored bad PDB record found on line 3742 
    3949 REMARK CLUSTER_NUM : 12 
    3950  
    3951 Ignored bad PDB record found on line 3743 
    3952 REMARK CLUSTER_MEMBER : 1 
    3953  
    3954 Ignored bad PDB record found on line 3744 
    3955 REMARK MEMBER_ENERGY : 38.290970 
    3956  
    3957 Ignored bad PDB record found on line 3745 
    3958 REMARK MEMBER_SCORE : 38.290970 
    3959  
    3960 6 messages similar to the above omitted 
    3961 Duplicate atom serial number found: 4894 
    3962 Duplicate atom serial number found: 4895 
    3963 Duplicate atom serial number found: 4896 
    3964 Duplicate atom serial number found: 4897 
    3965 Duplicate atom serial number found: 4898 
    3966 27 messages similar to the above omitted 
    3967 Ignored bad PDB record found on line 3785 
    3968 REMARK FILE_NAME : seed-1-48-0-0-2.crd 
    3969  
    3970 Ignored bad PDB record found on line 3786 
    3971 REMARK CLUSTER_NUM : 12 
    3972  
    3973 Ignored bad PDB record found on line 3787 
    3974 REMARK CLUSTER_MEMBER : 2 
    3975  
    3976 Ignored bad PDB record found on line 3788 
    3977 REMARK MEMBER_ENERGY : 40.093802 
    3978  
    3979 Ignored bad PDB record found on line 3789 
    3980 REMARK MEMBER_SCORE : 40.093802 
    3981  
    3982 6 messages similar to the above omitted 
    3983 Duplicate atom serial number found: 4894 
    3984 Duplicate atom serial number found: 4895 
    3985 Duplicate atom serial number found: 4896 
    3986 Duplicate atom serial number found: 4897 
    3987 Duplicate atom serial number found: 4898 
    3988 27 messages similar to the above omitted 
    3989 Ignored bad PDB record found on line 3829 
    3990 REMARK FILE_NAME : seed-1-50-0-0-1.crd 
    3991  
    3992 Ignored bad PDB record found on line 3830 
    3993 REMARK CLUSTER_NUM : 12 
    3994  
    3995 Ignored bad PDB record found on line 3831 
    3996 REMARK CLUSTER_MEMBER : 3 
    3997  
    3998 Ignored bad PDB record found on line 3832 
    3999 REMARK MEMBER_ENERGY : 40.551635 
    4000  
    4001 Ignored bad PDB record found on line 3833 
    4002 REMARK MEMBER_SCORE : 40.551635 
    4003  
    4004 6 messages similar to the above omitted 
    4005 Duplicate atom serial number found: 4894 
    4006 Duplicate atom serial number found: 4895 
    4007 Duplicate atom serial number found: 4896 
    4008 Duplicate atom serial number found: 4897 
    4009 Duplicate atom serial number found: 4898 
    4010 27 messages similar to the above omitted 
    4011 Ignored bad PDB record found on line 3873 
    4012 REMARK FILE_NAME : seed-1-47-0-0-1.crd 
    4013  
    4014 Ignored bad PDB record found on line 3874 
    4015 REMARK CLUSTER_NUM : 12 
    4016  
    4017 Ignored bad PDB record found on line 3875 
    4018 REMARK CLUSTER_MEMBER : 4 
    4019  
    4020 Ignored bad PDB record found on line 3876 
    4021 REMARK MEMBER_ENERGY : 41.551415 
    4022  
    4023 Ignored bad PDB record found on line 3877 
    4024 REMARK MEMBER_SCORE : 41.551415 
    4025  
    4026 6 messages similar to the above omitted 
    4027 Duplicate atom serial number found: 4894 
    4028 Duplicate atom serial number found: 4895 
    4029 Duplicate atom serial number found: 4896 
    4030 Duplicate atom serial number found: 4897 
    4031 Duplicate atom serial number found: 4898 
    4032 27 messages similar to the above omitted 
    4033 Ignored bad PDB record found on line 3917 
    4034 REMARK FILE_NAME : seed-1-49-0-0-2.crd 
    4035  
    4036 Ignored bad PDB record found on line 3918 
    4037 REMARK CLUSTER_NUM : 12 
    4038  
    4039 Ignored bad PDB record found on line 3919 
    4040 REMARK CLUSTER_MEMBER : 5 
    4041  
    4042 Ignored bad PDB record found on line 3920 
    4043 REMARK MEMBER_ENERGY : 41.754952 
    4044  
    4045 Ignored bad PDB record found on line 3921 
    4046 REMARK MEMBER_SCORE : 41.754952 
    4047  
    4048 6 messages similar to the above omitted 
    4049 Duplicate atom serial number found: 4894 
    4050 Duplicate atom serial number found: 4895 
    4051 Duplicate atom serial number found: 4896 
    4052 Duplicate atom serial number found: 4897 
    4053 Duplicate atom serial number found: 4898 
    4054 27 messages similar to the above omitted 
    4055 Ignored bad PDB record found on line 3961 
    4056 REMARK FILE_NAME : seed-1-50-0-1-2.crd 
    4057  
    4058 Ignored bad PDB record found on line 3962 
    4059 REMARK CLUSTER_NUM : 12 
    4060  
    4061 Ignored bad PDB record found on line 3963 
    4062 REMARK CLUSTER_MEMBER : 6 
    4063  
    4064 Ignored bad PDB record found on line 3964 
    4065 REMARK MEMBER_ENERGY : 42.621128 
    4066  
    4067 Ignored bad PDB record found on line 3965 
    4068 REMARK MEMBER_SCORE : 42.621128 
    4069  
    4070 6 messages similar to the above omitted 
    4071 Duplicate atom serial number found: 4894 
    4072 Duplicate atom serial number found: 4895 
    4073 Duplicate atom serial number found: 4896 
    4074 Duplicate atom serial number found: 4897 
    4075 Duplicate atom serial number found: 4898 
    4076 27 messages similar to the above omitted 
    4077 Ignored bad PDB record found on line 4005 
    4078 REMARK FILE_NAME : seed-1-47-0-0-2.crd 
    4079  
    4080 Ignored bad PDB record found on line 4006 
    4081 REMARK CLUSTER_NUM : 12 
    4082  
    4083 Ignored bad PDB record found on line 4007 
    4084 REMARK CLUSTER_MEMBER : 7 
    4085  
    4086 Ignored bad PDB record found on line 4008 
    4087 REMARK MEMBER_ENERGY : 43.923638 
    4088  
    4089 Ignored bad PDB record found on line 4009 
    4090 REMARK MEMBER_SCORE : 43.923638 
    4091  
    4092 6 messages similar to the above omitted 
    4093 Duplicate atom serial number found: 4894 
    4094 Duplicate atom serial number found: 4895 
    4095 Duplicate atom serial number found: 4896 
    4096 Duplicate atom serial number found: 4897 
    4097 Duplicate atom serial number found: 4898 
    4098 27 messages similar to the above omitted 
    4099 Ignored bad PDB record found on line 4049 
    4100 REMARK FILE_NAME : seed-1-47-0-3-2.crd 
    4101  
    4102 Ignored bad PDB record found on line 4050 
    4103 REMARK CLUSTER_NUM : 12 
    4104  
    4105 Ignored bad PDB record found on line 4051 
    4106 REMARK CLUSTER_MEMBER : 8 
    4107  
    4108 Ignored bad PDB record found on line 4052 
    4109 REMARK MEMBER_ENERGY : 44.760605 
    4110  
    4111 Ignored bad PDB record found on line 4053 
    4112 REMARK MEMBER_SCORE : 44.760605 
    4113  
    4114 6 messages similar to the above omitted 
    4115 Duplicate atom serial number found: 4894 
    4116 Duplicate atom serial number found: 4895 
    4117 Duplicate atom serial number found: 4896 
    4118 Duplicate atom serial number found: 4897 
    4119 Duplicate atom serial number found: 4898 
    4120 27 messages similar to the above omitted 
    4121 Ignored bad PDB record found on line 4093 
    4122 REMARK FILE_NAME : seed-1-33-0-1-2.crd 
    4123  
    4124 Ignored bad PDB record found on line 4094 
    4125 REMARK CLUSTER_NUM : 13 
    4126  
    4127 Ignored bad PDB record found on line 4095 
    4128 REMARK CLUSTER_MEMBER : 1 
    4129  
    4130 Ignored bad PDB record found on line 4096 
    4131 REMARK MEMBER_ENERGY : 38.850256 
    4132  
    4133 Ignored bad PDB record found on line 4097 
    4134 REMARK MEMBER_SCORE : 38.850256 
    4135  
    4136 6 messages similar to the above omitted 
    4137 Duplicate atom serial number found: 4894 
    4138 Duplicate atom serial number found: 4895 
    4139 Duplicate atom serial number found: 4896 
    4140 Duplicate atom serial number found: 4897 
    4141 Duplicate atom serial number found: 4898 
    4142 27 messages similar to the above omitted 
    4143 Ignored bad PDB record found on line 4137 
    4144 REMARK FILE_NAME : seed-1-41-0-1-3.crd 
    4145  
    4146 Ignored bad PDB record found on line 4138 
    4147 REMARK CLUSTER_NUM : 13 
    4148  
    4149 Ignored bad PDB record found on line 4139 
    4150 REMARK CLUSTER_MEMBER : 2 
    4151  
    4152 Ignored bad PDB record found on line 4140 
    4153 REMARK MEMBER_ENERGY : 40.600947 
    4154  
    4155 Ignored bad PDB record found on line 4141 
    4156 REMARK MEMBER_SCORE : 40.600947 
    4157  
    4158 6 messages similar to the above omitted 
    4159 Duplicate atom serial number found: 4894 
    4160 Duplicate atom serial number found: 4895 
    4161 Duplicate atom serial number found: 4896 
    4162 Duplicate atom serial number found: 4897 
    4163 Duplicate atom serial number found: 4898 
    4164 27 messages similar to the above omitted 
    4165 Ignored bad PDB record found on line 4181 
    4166 REMARK FILE_NAME : seed-1-40-0-0-2.crd 
    4167  
    4168 Ignored bad PDB record found on line 4182 
    4169 REMARK CLUSTER_NUM : 13 
    4170  
    4171 Ignored bad PDB record found on line 4183 
    4172 REMARK CLUSTER_MEMBER : 3 
    4173  
    4174 Ignored bad PDB record found on line 4184 
    4175 REMARK MEMBER_ENERGY : 40.783373 
    4176  
    4177 Ignored bad PDB record found on line 4185 
    4178 REMARK MEMBER_SCORE : 40.783373 
    4179  
    4180 6 messages similar to the above omitted 
    4181 Duplicate atom serial number found: 4894 
    4182 Duplicate atom serial number found: 4895 
    4183 Duplicate atom serial number found: 4896 
    4184 Duplicate atom serial number found: 4897 
    4185 Duplicate atom serial number found: 4898 
    4186 27 messages similar to the above omitted 
    4187 Ignored bad PDB record found on line 4225 
    4188 REMARK FILE_NAME : seed-1-40-0-1-2.crd 
    4189  
    4190 Ignored bad PDB record found on line 4226 
    4191 REMARK CLUSTER_NUM : 13 
    4192  
    4193 Ignored bad PDB record found on line 4227 
    4194 REMARK CLUSTER_MEMBER : 4 
    4195  
    4196 Ignored bad PDB record found on line 4228 
    4197 REMARK MEMBER_ENERGY : 40.830098 
    4198  
    4199 Ignored bad PDB record found on line 4229 
    4200 REMARK MEMBER_SCORE : 40.830098 
    4201  
    4202 6 messages similar to the above omitted 
    4203 Duplicate atom serial number found: 4894 
    4204 Duplicate atom serial number found: 4895 
    4205 Duplicate atom serial number found: 4896 
    4206 Duplicate atom serial number found: 4897 
    4207 Duplicate atom serial number found: 4898 
    4208 27 messages similar to the above omitted 
    4209 Ignored bad PDB record found on line 4269 
    4210 REMARK FILE_NAME : seed-1-34-0-0-2.crd 
    4211  
    4212 Ignored bad PDB record found on line 4270 
    4213 REMARK CLUSTER_NUM : 13 
    4214  
    4215 Ignored bad PDB record found on line 4271 
    4216 REMARK CLUSTER_MEMBER : 5 
    4217  
    4218 Ignored bad PDB record found on line 4272 
    4219 REMARK MEMBER_ENERGY : 41.672889 
    4220  
    4221 Ignored bad PDB record found on line 4273 
    4222 REMARK MEMBER_SCORE : 41.672889 
    4223  
    4224 6 messages similar to the above omitted 
    4225 Duplicate atom serial number found: 4894 
    4226 Duplicate atom serial number found: 4895 
    4227 Duplicate atom serial number found: 4896 
    4228 Duplicate atom serial number found: 4897 
    4229 Duplicate atom serial number found: 4898 
    4230 27 messages similar to the above omitted 
    4231 Ignored bad PDB record found on line 4313 
    4232 REMARK FILE_NAME : seed-1-41-0-2-3.crd 
    4233  
    4234 Ignored bad PDB record found on line 4314 
    4235 REMARK CLUSTER_NUM : 13 
    4236  
    4237 Ignored bad PDB record found on line 4315 
    4238 REMARK CLUSTER_MEMBER : 6 
    4239  
    4240 Ignored bad PDB record found on line 4316 
    4241 REMARK MEMBER_ENERGY : 42.706921 
    4242  
    4243 Ignored bad PDB record found on line 4317 
    4244 REMARK MEMBER_SCORE : 42.706921 
    4245  
    4246 6 messages similar to the above omitted 
    4247 Duplicate atom serial number found: 4894 
    4248 Duplicate atom serial number found: 4895 
    4249 Duplicate atom serial number found: 4896 
    4250 Duplicate atom serial number found: 4897 
    4251 Duplicate atom serial number found: 4898 
    4252 27 messages similar to the above omitted 
    4253 Ignored bad PDB record found on line 4357 
    4254 REMARK FILE_NAME : seed-1-47-1-0-3.crd 
    4255  
    4256 Ignored bad PDB record found on line 4358 
    4257 REMARK CLUSTER_NUM : 14 
    4258  
    4259 Ignored bad PDB record found on line 4359 
    4260 REMARK CLUSTER_MEMBER : 1 
    4261  
    4262 Ignored bad PDB record found on line 4360 
    4263 REMARK MEMBER_ENERGY : 39.171088 
    4264  
    4265 Ignored bad PDB record found on line 4361 
    4266 REMARK MEMBER_SCORE : 39.171088 
    4267  
    4268 6 messages similar to the above omitted 
    4269 Duplicate atom serial number found: 4894 
    4270 Duplicate atom serial number found: 4895 
    4271 Duplicate atom serial number found: 4896 
    4272 Duplicate atom serial number found: 4897 
    4273 Duplicate atom serial number found: 4898 
    4274 27 messages similar to the above omitted 
    4275 Ignored bad PDB record found on line 4401 
    4276 REMARK FILE_NAME : seed-1-47-1-0-0.crd 
    4277  
    4278 Ignored bad PDB record found on line 4402 
    4279 REMARK CLUSTER_NUM : 14 
    4280  
    4281 Ignored bad PDB record found on line 4403 
    4282 REMARK CLUSTER_MEMBER : 2 
    4283  
    4284 Ignored bad PDB record found on line 4404 
    4285 REMARK MEMBER_ENERGY : 43.382969 
    4286  
    4287 Ignored bad PDB record found on line 4405 
    4288 REMARK MEMBER_SCORE : 43.382969 
    4289  
    4290 6 messages similar to the above omitted 
    4291 Duplicate atom serial number found: 4894 
    4292 Duplicate atom serial number found: 4895 
    4293 Duplicate atom serial number found: 4896 
    4294 Duplicate atom serial number found: 4897 
    4295 Duplicate atom serial number found: 4898 
    4296 27 messages similar to the above omitted 
    4297 Ignored bad PDB record found on line 4445 
    4298 REMARK FILE_NAME : seed-1-48-1-0-0.crd 
    4299  
    4300 Ignored bad PDB record found on line 4446 
    4301 REMARK CLUSTER_NUM : 14 
    4302  
    4303 Ignored bad PDB record found on line 4447 
    4304 REMARK CLUSTER_MEMBER : 3 
    4305  
    4306 Ignored bad PDB record found on line 4448 
    4307 REMARK MEMBER_ENERGY : 46.528936 
    4308  
    4309 Ignored bad PDB record found on line 4449 
    4310 REMARK MEMBER_SCORE : 46.528936 
    4311  
    4312 6 messages similar to the above omitted 
    4313 Duplicate atom serial number found: 4894 
    4314 Duplicate atom serial number found: 4895 
    4315 Duplicate atom serial number found: 4896 
    4316 Duplicate atom serial number found: 4897 
    4317 Duplicate atom serial number found: 4898 
    4318 27 messages similar to the above omitted 
    4319 Ignored bad PDB record found on line 4489 
    4320 REMARK FILE_NAME : seed-1-34-1-0-0.crd 
    4321  
    4322 Ignored bad PDB record found on line 4490 
    4323 REMARK CLUSTER_NUM : 15 
    4324  
    4325 Ignored bad PDB record found on line 4491 
    4326 REMARK CLUSTER_MEMBER : 1 
    4327  
    4328 Ignored bad PDB record found on line 4492 
    4329 REMARK MEMBER_ENERGY : 39.548403 
    4330  
    4331 Ignored bad PDB record found on line 4493 
    4332 REMARK MEMBER_SCORE : 39.548403 
    4333  
    4334 6 messages similar to the above omitted 
    4335 Duplicate atom serial number found: 4894 
    4336 Duplicate atom serial number found: 4895 
    4337 Duplicate atom serial number found: 4896 
    4338 Duplicate atom serial number found: 4897 
    4339 Duplicate atom serial number found: 4898 
    4340 27 messages similar to the above omitted 
    4341 Ignored bad PDB record found on line 4533 
    4342 REMARK FILE_NAME : seed-1-40-0-3-0.crd 
    4343  
    4344 Ignored bad PDB record found on line 4534 
    4345 REMARK CLUSTER_NUM : 15 
    4346  
    4347 Ignored bad PDB record found on line 4535 
    4348 REMARK CLUSTER_MEMBER : 2 
    4349  
    4350 Ignored bad PDB record found on line 4536 
    4351 REMARK MEMBER_ENERGY : 41.626400 
    4352  
    4353 Ignored bad PDB record found on line 4537 
    4354 REMARK MEMBER_SCORE : 41.626400 
    4355  
    4356 6 messages similar to the above omitted 
    4357 Duplicate atom serial number found: 4894 
    4358 Duplicate atom serial number found: 4895 
    4359 Duplicate atom serial number found: 4896 
    4360 Duplicate atom serial number found: 4897 
    4361 Duplicate atom serial number found: 4898 
    4362 27 messages similar to the above omitted 
    4363 Ignored bad PDB record found on line 4577 
    4364 REMARK FILE_NAME : seed-1-41-0-0-0.crd 
    4365  
    4366 Ignored bad PDB record found on line 4578 
    4367 REMARK CLUSTER_NUM : 15 
    4368  
    4369 Ignored bad PDB record found on line 4579 
    4370 REMARK CLUSTER_MEMBER : 3 
    4371  
    4372 Ignored bad PDB record found on line 4580 
    4373 REMARK MEMBER_ENERGY : 44.374222 
    4374  
    4375 Ignored bad PDB record found on line 4581 
    4376 REMARK MEMBER_SCORE : 44.374222 
    4377  
    4378 6 messages similar to the above omitted 
    4379 Duplicate atom serial number found: 4894 
    4380 Duplicate atom serial number found: 4895 
    4381 Duplicate atom serial number found: 4896 
    4382 Duplicate atom serial number found: 4897 
    4383 Duplicate atom serial number found: 4898 
    4384 27 messages similar to the above omitted 
    4385 Ignored bad PDB record found on line 4621 
    4386 REMARK FILE_NAME : seed-1-6-1-0-3.crd 
    4387  
    4388 Ignored bad PDB record found on line 4622 
    4389 REMARK CLUSTER_NUM : 16 
    4390  
    4391 Ignored bad PDB record found on line 4623 
    4392 REMARK CLUSTER_MEMBER : 1 
    4393  
    4394 Ignored bad PDB record found on line 4624 
    4395 REMARK MEMBER_ENERGY : 39.573313 
    4396  
    4397 Ignored bad PDB record found on line 4625 
    4398 REMARK MEMBER_SCORE : 39.573313 
    4399  
    4400 6 messages similar to the above omitted 
    4401 Duplicate atom serial number found: 4894 
    4402 Duplicate atom serial number found: 4895 
    4403 Duplicate atom serial number found: 4896 
    4404 Duplicate atom serial number found: 4897 
    4405 Duplicate atom serial number found: 4898 
    4406 27 messages similar to the above omitted 
    4407 Ignored bad PDB record found on line 4665 
    4408 REMARK FILE_NAME : seed-1-21-1-0-3.crd 
    4409  
    4410 Ignored bad PDB record found on line 4666 
    4411 REMARK CLUSTER_NUM : 16 
    4412  
    4413 Ignored bad PDB record found on line 4667 
    4414 REMARK CLUSTER_MEMBER : 2 
    4415  
    4416 Ignored bad PDB record found on line 4668 
    4417 REMARK MEMBER_ENERGY : 40.022768 
    4418  
    4419 Ignored bad PDB record found on line 4669 
    4420 REMARK MEMBER_SCORE : 40.022768 
    4421  
    4422 6 messages similar to the above omitted 
    4423 Duplicate atom serial number found: 4894 
    4424 Duplicate atom serial number found: 4895 
    4425 Duplicate atom serial number found: 4896 
    4426 Duplicate atom serial number found: 4897 
    4427 Duplicate atom serial number found: 4898 
    4428 27 messages similar to the above omitted 
    4429 Ignored bad PDB record found on line 4709 
    4430 REMARK FILE_NAME : seed-1-13-1-0-3.crd 
    4431  
    4432 Ignored bad PDB record found on line 4710 
    4433 REMARK CLUSTER_NUM : 16 
    4434  
    4435 Ignored bad PDB record found on line 4711 
    4436 REMARK CLUSTER_MEMBER : 3 
    4437  
    4438 Ignored bad PDB record found on line 4712 
    4439 REMARK MEMBER_ENERGY : 40.605144 
    4440  
    4441 Ignored bad PDB record found on line 4713 
    4442 REMARK MEMBER_SCORE : 40.605144 
    4443  
    4444 6 messages similar to the above omitted 
    4445 Duplicate atom serial number found: 4894 
    4446 Duplicate atom serial number found: 4895 
    4447 Duplicate atom serial number found: 4896 
    4448 Duplicate atom serial number found: 4897 
    4449 Duplicate atom serial number found: 4898 
    4450 27 messages similar to the above omitted 
    4451 Ignored bad PDB record found on line 4753 
    4452 REMARK FILE_NAME : seed-1-3-0-2-1.crd 
    4453  
    4454 Ignored bad PDB record found on line 4754 
    4455 REMARK CLUSTER_NUM : 16 
    4456  
    4457 Ignored bad PDB record found on line 4755 
    4458 REMARK CLUSTER_MEMBER : 4 
    4459  
    4460 Ignored bad PDB record found on line 4756 
    4461 REMARK MEMBER_ENERGY : 47.539223 
    4462  
    4463 Ignored bad PDB record found on line 4757 
    4464 REMARK MEMBER_SCORE : 47.539223 
    4465  
    4466 6 messages similar to the above omitted 
    4467 Duplicate atom serial number found: 4894 
    4468 Duplicate atom serial number found: 4895 
    4469 Duplicate atom serial number found: 4896 
    4470 Duplicate atom serial number found: 4897 
    4471 Duplicate atom serial number found: 4898 
    4472 27 messages similar to the above omitted 
    4473 Ignored bad PDB record found on line 4797 
    4474 REMARK FILE_NAME : seed-1-24-1-0-2.crd 
    4475  
    4476 Ignored bad PDB record found on line 4798 
    4477 REMARK CLUSTER_NUM : 16 
    4478  
    4479 Ignored bad PDB record found on line 4799 
    4480 REMARK CLUSTER_MEMBER : 5 
    4481  
    4482 Ignored bad PDB record found on line 4800 
    4483 REMARK MEMBER_ENERGY : 67.200732 
    4484  
    4485 Ignored bad PDB record found on line 4801 
    4486 REMARK MEMBER_SCORE : 67.200732 
    4487  
    4488 6 messages similar to the above omitted 
    4489 Duplicate atom serial number found: 4894 
    4490 Duplicate atom serial number found: 4895 
    4491 Duplicate atom serial number found: 4896 
    4492 Duplicate atom serial number found: 4897 
    4493 Duplicate atom serial number found: 4898 
    4494 27 messages similar to the above omitted 
    4495 Ignored bad PDB record found on line 4841 
    4496 REMARK FILE_NAME : seed-1-45-0-1-3.crd 
    4497  
    4498 Ignored bad PDB record found on line 4842 
    4499 REMARK CLUSTER_NUM : 17 
    4500  
    4501 Ignored bad PDB record found on line 4843 
    4502 REMARK CLUSTER_MEMBER : 1 
    4503  
    4504 Ignored bad PDB record found on line 4844 
    4505 REMARK MEMBER_ENERGY : 39.732474 
    4506  
    4507 Ignored bad PDB record found on line 4845 
    4508 REMARK MEMBER_SCORE : 39.732474 
    4509  
    4510 6 messages similar to the above omitted 
    4511 Duplicate atom serial number found: 4894 
    4512 Duplicate atom serial number found: 4895 
    4513 Duplicate atom serial number found: 4896 
    4514 Duplicate atom serial number found: 4897 
    4515 Duplicate atom serial number found: 4898 
    4516 27 messages similar to the above omitted 
    4517 Ignored bad PDB record found on line 4885 
    4518 REMARK FILE_NAME : seed-1-48-0-2-3.crd 
    4519  
    4520 Ignored bad PDB record found on line 4886 
    4521 REMARK CLUSTER_NUM : 18 
    4522  
    4523 Ignored bad PDB record found on line 4887 
    4524 REMARK CLUSTER_MEMBER : 1 
    4525  
    4526 Ignored bad PDB record found on line 4888 
    4527 REMARK MEMBER_ENERGY : 40.356721 
    4528  
    4529 Ignored bad PDB record found on line 4889 
    4530 REMARK MEMBER_SCORE : 40.356721 
    4531  
    4532 6 messages similar to the above omitted 
    4533 Duplicate atom serial number found: 4894 
    4534 Duplicate atom serial number found: 4895 
    4535 Duplicate atom serial number found: 4896 
    4536 Duplicate atom serial number found: 4897 
    4537 Duplicate atom serial number found: 4898 
    4538 27 messages similar to the above omitted 
    4539 Ignored bad PDB record found on line 4929 
    4540 REMARK FILE_NAME : seed-1-47-0-2-3.crd 
    4541  
    4542 Ignored bad PDB record found on line 4930 
    4543 REMARK CLUSTER_NUM : 18 
    4544  
    4545 Ignored bad PDB record found on line 4931 
    4546 REMARK CLUSTER_MEMBER : 2 
    4547  
    4548 Ignored bad PDB record found on line 4932 
    4549 REMARK MEMBER_ENERGY : 42.142035 
    4550  
    4551 Ignored bad PDB record found on line 4933 
    4552 REMARK MEMBER_SCORE : 42.142035 
    4553  
    4554 6 messages similar to the above omitted 
    4555 Duplicate atom serial number found: 4894 
    4556 Duplicate atom serial number found: 4895 
    4557 Duplicate atom serial number found: 4896 
    4558 Duplicate atom serial number found: 4897 
    4559 Duplicate atom serial number found: 4898 
    4560 27 messages similar to the above omitted 
    4561 Ignored bad PDB record found on line 4973 
    4562 REMARK FILE_NAME : seed-1-49-0-1-2.crd 
    4563  
    4564 Ignored bad PDB record found on line 4974 
    4565 REMARK CLUSTER_NUM : 18 
    4566  
    4567 Ignored bad PDB record found on line 4975 
    4568 REMARK CLUSTER_MEMBER : 3 
    4569  
    4570 Ignored bad PDB record found on line 4976 
    4571 REMARK MEMBER_ENERGY : 42.504050 
    4572  
    4573 Ignored bad PDB record found on line 4977 
    4574 REMARK MEMBER_SCORE : 42.504050 
    4575  
    4576 6 messages similar to the above omitted 
    4577 Duplicate atom serial number found: 4894 
    4578 Duplicate atom serial number found: 4895 
    4579 Duplicate atom serial number found: 4896 
    4580 Duplicate atom serial number found: 4897 
    4581 Duplicate atom serial number found: 4898 
    4582 27 messages similar to the above omitted 
    4583 Ignored bad PDB record found on line 5017 
    4584 REMARK FILE_NAME : seed-1-47-1-2-3.crd 
    4585  
    4586 Ignored bad PDB record found on line 5018 
    4587 REMARK CLUSTER_NUM : 18 
    4588  
    4589 Ignored bad PDB record found on line 5019 
    4590 REMARK CLUSTER_MEMBER : 4 
    4591  
    4592 Ignored bad PDB record found on line 5020 
    4593 REMARK MEMBER_ENERGY : 43.860862 
    4594  
    4595 Ignored bad PDB record found on line 5021 
    4596 REMARK MEMBER_SCORE : 43.860862 
    4597  
    4598 6 messages similar to the above omitted 
    4599 Duplicate atom serial number found: 4894 
    4600 Duplicate atom serial number found: 4895 
    4601 Duplicate atom serial number found: 4896 
    4602 Duplicate atom serial number found: 4897 
    4603 Duplicate atom serial number found: 4898 
    4604 27 messages similar to the above omitted 
    4605 Ignored bad PDB record found on line 5061 
    4606 REMARK FILE_NAME : seed-1-50-0-1-3.crd 
    4607  
    4608 Ignored bad PDB record found on line 5062 
    4609 REMARK CLUSTER_NUM : 18 
    4610  
    4611 Ignored bad PDB record found on line 5063 
    4612 REMARK CLUSTER_MEMBER : 5 
    4613  
    4614 Ignored bad PDB record found on line 5064 
    4615 REMARK MEMBER_ENERGY : 44.245296 
    4616  
    4617 Ignored bad PDB record found on line 5065 
    4618 REMARK MEMBER_SCORE : 44.245296 
    4619  
    4620 6 messages similar to the above omitted 
    4621 Duplicate atom serial number found: 4894 
    4622 Duplicate atom serial number found: 4895 
    4623 Duplicate atom serial number found: 4896 
    4624 Duplicate atom serial number found: 4897 
    4625 Duplicate atom serial number found: 4898 
    4626 27 messages similar to the above omitted 
    4627 Ignored bad PDB record found on line 5105 
    4628 REMARK FILE_NAME : seed-1-47-0-1-3.crd 
    4629  
    4630 Ignored bad PDB record found on line 5106 
    4631 REMARK CLUSTER_NUM : 18 
    4632  
    4633 Ignored bad PDB record found on line 5107 
    4634 REMARK CLUSTER_MEMBER : 6 
    4635  
    4636 Ignored bad PDB record found on line 5108 
    4637 REMARK MEMBER_ENERGY : 45.756291 
    4638  
    4639 Ignored bad PDB record found on line 5109 
    4640 REMARK MEMBER_SCORE : 45.756291 
    4641  
    4642 6 messages similar to the above omitted 
    4643 Duplicate atom serial number found: 4894 
    4644 Duplicate atom serial number found: 4895 
    4645 Duplicate atom serial number found: 4896 
    4646 Duplicate atom serial number found: 4897 
    4647 Duplicate atom serial number found: 4898 
    4648 27 messages similar to the above omitted 
    4649 Ignored bad PDB record found on line 5149 
    4650 REMARK FILE_NAME : seed-1-40-0-0-0.crd 
    4651  
    4652 Ignored bad PDB record found on line 5150 
    4653 REMARK CLUSTER_NUM : 19 
    4654  
    4655 Ignored bad PDB record found on line 5151 
    4656 REMARK CLUSTER_MEMBER : 1 
    4657  
    4658 Ignored bad PDB record found on line 5152 
    4659 REMARK MEMBER_ENERGY : 40.362979 
    4660  
    4661 Ignored bad PDB record found on line 5153 
    4662 REMARK MEMBER_SCORE : 40.362979 
    4663  
    4664 6 messages similar to the above omitted 
    4665 Duplicate atom serial number found: 4894 
    4666 Duplicate atom serial number found: 4895 
    4667 Duplicate atom serial number found: 4896 
    4668 Duplicate atom serial number found: 4897 
    4669 Duplicate atom serial number found: 4898 
    4670 27 messages similar to the above omitted 
    4671 Ignored bad PDB record found on line 5193 
    4672 REMARK FILE_NAME : seed-1-33-0-3-0.crd 
    4673  
    4674 Ignored bad PDB record found on line 5194 
    4675 REMARK CLUSTER_NUM : 19 
    4676  
    4677 Ignored bad PDB record found on line 5195 
    4678 REMARK CLUSTER_MEMBER : 2 
    4679  
    4680 Ignored bad PDB record found on line 5196 
    4681 REMARK MEMBER_ENERGY : 42.464427 
    4682  
    4683 Ignored bad PDB record found on line 5197 
    4684 REMARK MEMBER_SCORE : 42.464427 
    4685  
    4686 6 messages similar to the above omitted 
    4687 Duplicate atom serial number found: 4894 
    4688 Duplicate atom serial number found: 4895 
    4689 Duplicate atom serial number found: 4896 
    4690 Duplicate atom serial number found: 4897 
    4691 Duplicate atom serial number found: 4898 
    4692 27 messages similar to the above omitted 
    4693 Ignored bad PDB record found on line 5237 
    4694 REMARK FILE_NAME : seed-1-34-0-3-0.crd 
    4695  
    4696 Ignored bad PDB record found on line 5238 
    4697 REMARK CLUSTER_NUM : 19 
    4698  
    4699 Ignored bad PDB record found on line 5239 
    4700 REMARK CLUSTER_MEMBER : 3 
    4701  
    4702 Ignored bad PDB record found on line 5240 
    4703 REMARK MEMBER_ENERGY : 42.469017 
    4704  
    4705 Ignored bad PDB record found on line 5241 
    4706 REMARK MEMBER_SCORE : 42.469017 
    4707  
    4708 6 messages similar to the above omitted 
    4709 Duplicate atom serial number found: 4894 
    4710 Duplicate atom serial number found: 4895 
    4711 Duplicate atom serial number found: 4896 
    4712 Duplicate atom serial number found: 4897 
    4713 Duplicate atom serial number found: 4898 
    4714 27 messages similar to the above omitted 
    4715 Ignored bad PDB record found on line 5281 
    4716 REMARK FILE_NAME : seed-1-33-0-2-0.crd 
    4717  
    4718 Ignored bad PDB record found on line 5282 
    4719 REMARK CLUSTER_NUM : 19 
    4720  
    4721 Ignored bad PDB record found on line 5283 
    4722 REMARK CLUSTER_MEMBER : 4 
    4723  
    4724 Ignored bad PDB record found on line 5284 
    4725 REMARK MEMBER_ENERGY : 44.057971 
    4726  
    4727 Ignored bad PDB record found on line 5285 
    4728 REMARK MEMBER_SCORE : 44.057971 
    4729  
    4730 6 messages similar to the above omitted 
    4731 Duplicate atom serial number found: 4894 
    4732 Duplicate atom serial number found: 4895 
    4733 Duplicate atom serial number found: 4896 
    4734 Duplicate atom serial number found: 4897 
    4735 Duplicate atom serial number found: 4898 
    4736 27 messages similar to the above omitted 
    4737 Ignored bad PDB record found on line 5325 
    4738 REMARK FILE_NAME : seed-1-34-0-1-1.crd 
    4739  
    4740 Ignored bad PDB record found on line 5326 
    4741 REMARK CLUSTER_NUM : 20 
    4742  
    4743 Ignored bad PDB record found on line 5327 
    4744 REMARK CLUSTER_MEMBER : 1 
    4745  
    4746 Ignored bad PDB record found on line 5328 
    4747 REMARK MEMBER_ENERGY : 40.402984 
    4748  
    4749 Ignored bad PDB record found on line 5329 
    4750 REMARK MEMBER_SCORE : 40.402984 
    4751  
    4752 6 messages similar to the above omitted 
    4753 Duplicate atom serial number found: 4894 
    4754 Duplicate atom serial number found: 4895 
    4755 Duplicate atom serial number found: 4896 
    4756 Duplicate atom serial number found: 4897 
    4757 Duplicate atom serial number found: 4898 
    4758 27 messages similar to the above omitted 
    4759 Ignored bad PDB record found on line 5369 
    4760 REMARK FILE_NAME : seed-1-50-0-3-1.crd 
    4761  
    4762 Ignored bad PDB record found on line 5370 
    4763 REMARK CLUSTER_NUM : 21 
    4764  
    4765 Ignored bad PDB record found on line 5371 
    4766 REMARK CLUSTER_MEMBER : 1 
    4767  
    4768 Ignored bad PDB record found on line 5372 
    4769 REMARK MEMBER_ENERGY : 40.435669 
    4770  
    4771 Ignored bad PDB record found on line 5373 
    4772 REMARK MEMBER_SCORE : 40.435669 
    4773  
    4774 6 messages similar to the above omitted 
    4775 Duplicate atom serial number found: 4894 
    4776 Duplicate atom serial number found: 4895 
    4777 Duplicate atom serial number found: 4896 
    4778 Duplicate atom serial number found: 4897 
    4779 Duplicate atom serial number found: 4898 
    4780 27 messages similar to the above omitted 
    4781 Ignored bad PDB record found on line 5413 
    4782 REMARK FILE_NAME : seed-1-48-0-3-1.crd 
    4783  
    4784 Ignored bad PDB record found on line 5414 
    4785 REMARK CLUSTER_NUM : 21 
    4786  
    4787 Ignored bad PDB record found on line 5415 
    4788 REMARK CLUSTER_MEMBER : 2 
    4789  
    4790 Ignored bad PDB record found on line 5416 
    4791 REMARK MEMBER_ENERGY : 41.712047 
    4792  
    4793 Ignored bad PDB record found on line 5417 
    4794 REMARK MEMBER_SCORE : 41.712047 
    4795  
    4796 6 messages similar to the above omitted 
    4797 Duplicate atom serial number found: 4894 
    4798 Duplicate atom serial number found: 4895 
    4799 Duplicate atom serial number found: 4896 
    4800 Duplicate atom serial number found: 4897 
    4801 Duplicate atom serial number found: 4898 
    4802 27 messages similar to the above omitted 
    4803 Ignored bad PDB record found on line 5457 
    4804 REMARK FILE_NAME : seed-1-49-0-3-1.crd 
    4805  
    4806 Ignored bad PDB record found on line 5458 
    4807 REMARK CLUSTER_NUM : 21 
    4808  
    4809 Ignored bad PDB record found on line 5459 
    4810 REMARK CLUSTER_MEMBER : 3 
    4811  
    4812 Ignored bad PDB record found on line 5460 
    4813 REMARK MEMBER_ENERGY : 41.723665 
    4814  
    4815 Ignored bad PDB record found on line 5461 
    4816 REMARK MEMBER_SCORE : 41.723665 
    4817  
    4818 6 messages similar to the above omitted 
    4819 Duplicate atom serial number found: 4894 
    4820 Duplicate atom serial number found: 4895 
    4821 Duplicate atom serial number found: 4896 
    4822 Duplicate atom serial number found: 4897 
    4823 Duplicate atom serial number found: 4898 
    4824 27 messages similar to the above omitted 
    4825 Ignored bad PDB record found on line 5501 
    4826 REMARK FILE_NAME : seed-1-49-1-2-2.crd 
    4827  
    4828 Ignored bad PDB record found on line 5502 
    4829 REMARK CLUSTER_NUM : 21 
    4830  
    4831 Ignored bad PDB record found on line 5503 
    4832 REMARK CLUSTER_MEMBER : 4 
    4833  
    4834 Ignored bad PDB record found on line 5504 
    4835 REMARK MEMBER_ENERGY : 41.941193 
    4836  
    4837 Ignored bad PDB record found on line 5505 
    4838 REMARK MEMBER_SCORE : 41.941193 
    4839  
    4840 6 messages similar to the above omitted 
    4841 Duplicate atom serial number found: 4894 
    4842 Duplicate atom serial number found: 4895 
    4843 Duplicate atom serial number found: 4896 
    4844 Duplicate atom serial number found: 4897 
    4845 Duplicate atom serial number found: 4898 
    4846 27 messages similar to the above omitted 
    4847 Ignored bad PDB record found on line 5545 
    4848 REMARK FILE_NAME : seed-1-50-1-2-2.crd 
    4849  
    4850 Ignored bad PDB record found on line 5546 
    4851 REMARK CLUSTER_NUM : 21 
    4852  
    4853 Ignored bad PDB record found on line 5547 
    4854 REMARK CLUSTER_MEMBER : 5 
    4855  
    4856 Ignored bad PDB record found on line 5548 
    4857 REMARK MEMBER_ENERGY : 42.520783 
    4858  
    4859 Ignored bad PDB record found on line 5549 
    4860 REMARK MEMBER_SCORE : 42.520783 
    4861  
    4862 6 messages similar to the above omitted 
    4863 Duplicate atom serial number found: 4894 
    4864 Duplicate atom serial number found: 4895 
    4865 Duplicate atom serial number found: 4896 
    4866 Duplicate atom serial number found: 4897 
    4867 Duplicate atom serial number found: 4898 
    4868 27 messages similar to the above omitted 
    4869 Ignored bad PDB record found on line 5589 
    4870 REMARK FILE_NAME : seed-1-50-0-2-2.crd 
    4871  
    4872 Ignored bad PDB record found on line 5590 
    4873 REMARK CLUSTER_NUM : 21 
    4874  
    4875 Ignored bad PDB record found on line 5591 
    4876 REMARK CLUSTER_MEMBER : 6 
    4877  
    4878 Ignored bad PDB record found on line 5592 
    4879 REMARK MEMBER_ENERGY : 45.431361 
    4880  
    4881 Ignored bad PDB record found on line 5593 
    4882 REMARK MEMBER_SCORE : 45.431361 
    4883  
    4884 6 messages similar to the above omitted 
    4885 Duplicate atom serial number found: 4894 
    4886 Duplicate atom serial number found: 4895 
    4887 Duplicate atom serial number found: 4896 
    4888 Duplicate atom serial number found: 4897 
    4889 Duplicate atom serial number found: 4898 
    4890 27 messages similar to the above omitted 
    4891 Ignored bad PDB record found on line 5633 
    4892 REMARK FILE_NAME : seed-1-47-1-2-2.crd 
    4893  
    4894 Ignored bad PDB record found on line 5634 
    4895 REMARK CLUSTER_NUM : 21 
    4896  
    4897 Ignored bad PDB record found on line 5635 
    4898 REMARK CLUSTER_MEMBER : 7 
    4899  
    4900 Ignored bad PDB record found on line 5636 
    4901 REMARK MEMBER_ENERGY : 45.695655 
    4902  
    4903 Ignored bad PDB record found on line 5637 
    4904 REMARK MEMBER_SCORE : 45.695655 
    4905  
    4906 6 messages similar to the above omitted 
    4907 Duplicate atom serial number found: 4894 
    4908 Duplicate atom serial number found: 4895 
    4909 Duplicate atom serial number found: 4896 
    4910 Duplicate atom serial number found: 4897 
    4911 Duplicate atom serial number found: 4898 
    4912 27 messages similar to the above omitted 
    4913 Ignored bad PDB record found on line 5677 
    4914 REMARK FILE_NAME : seed-1-50-0-2-0.crd 
    4915  
    4916 Ignored bad PDB record found on line 5678 
    4917 REMARK CLUSTER_NUM : 22 
    4918  
    4919 Ignored bad PDB record found on line 5679 
    4920 REMARK CLUSTER_MEMBER : 1 
    4921  
    4922 Ignored bad PDB record found on line 5680 
    4923 REMARK MEMBER_ENERGY : 40.628325 
    4924  
    4925 Ignored bad PDB record found on line 5681 
    4926 REMARK MEMBER_SCORE : 40.628325 
    4927  
    4928 6 messages similar to the above omitted 
    4929 Duplicate atom serial number found: 4894 
    4930 Duplicate atom serial number found: 4895 
    4931 Duplicate atom serial number found: 4896 
    4932 Duplicate atom serial number found: 4897 
    4933 Duplicate atom serial number found: 4898 
    4934 27 messages similar to the above omitted 
    4935 Ignored bad PDB record found on line 5721 
    4936 REMARK FILE_NAME : seed-1-40-0-1-1.crd 
    4937  
    4938 Ignored bad PDB record found on line 5722 
    4939 REMARK CLUSTER_NUM : 23 
    4940  
    4941 Ignored bad PDB record found on line 5723 
    4942 REMARK CLUSTER_MEMBER : 1 
    4943  
    4944 Ignored bad PDB record found on line 5724 
    4945 REMARK MEMBER_ENERGY : 40.791881 
    4946  
    4947 Ignored bad PDB record found on line 5725 
    4948 REMARK MEMBER_SCORE : 40.791881 
    4949  
    4950 6 messages similar to the above omitted 
    4951 Duplicate atom serial number found: 4894 
    4952 Duplicate atom serial number found: 4895 
    4953 Duplicate atom serial number found: 4896 
    4954 Duplicate atom serial number found: 4897 
    4955 Duplicate atom serial number found: 4898 
    4956 27 messages similar to the above omitted 
    4957 Ignored bad PDB record found on line 5765 
    4958 REMARK FILE_NAME : seed-1-40-1-2-1.crd 
    4959  
    4960 Ignored bad PDB record found on line 5766 
    4961 REMARK CLUSTER_NUM : 23 
    4962  
    4963 Ignored bad PDB record found on line 5767 
    4964 REMARK CLUSTER_MEMBER : 2 
    4965  
    4966 Ignored bad PDB record found on line 5768 
    4967 REMARK MEMBER_ENERGY : 44.186608 
    4968  
    4969 Ignored bad PDB record found on line 5769 
    4970 REMARK MEMBER_SCORE : 44.186608 
    4971  
    4972 6 messages similar to the above omitted 
    4973 Duplicate atom serial number found: 4894 
    4974 Duplicate atom serial number found: 4895 
    4975 Duplicate atom serial number found: 4896 
    4976 Duplicate atom serial number found: 4897 
    4977 Duplicate atom serial number found: 4898 
    4978 27 messages similar to the above omitted 
    4979 Ignored bad PDB record found on line 5809 
    4980 REMARK FILE_NAME : seed-1-41-0-1-0.crd 
    4981  
    4982 Ignored bad PDB record found on line 5810 
    4983 REMARK CLUSTER_NUM : 24 
    4984  
    4985 Ignored bad PDB record found on line 5811 
    4986 REMARK CLUSTER_MEMBER : 1 
    4987  
    4988 Ignored bad PDB record found on line 5812 
    4989 REMARK MEMBER_ENERGY : 40.890340 
    4990  
    4991 Ignored bad PDB record found on line 5813 
    4992 REMARK MEMBER_SCORE : 40.890340 
    4993  
    4994 6 messages similar to the above omitted 
    4995 Duplicate atom serial number found: 4894 
    4996 Duplicate atom serial number found: 4895 
    4997 Duplicate atom serial number found: 4896 
    4998 Duplicate atom serial number found: 4897 
    4999 Duplicate atom serial number found: 4898 
    5000 27 messages similar to the above omitted 
    5001 Ignored bad PDB record found on line 5853 
    5002 REMARK FILE_NAME : seed-1-49-0-0-1.crd 
    5003  
    5004 Ignored bad PDB record found on line 5854 
    5005 REMARK CLUSTER_NUM : 25 
    5006  
    5007 Ignored bad PDB record found on line 5855 
    5008 REMARK CLUSTER_MEMBER : 1 
    5009  
    5010 Ignored bad PDB record found on line 5856 
    5011 REMARK MEMBER_ENERGY : 41.069145 
    5012  
    5013 Ignored bad PDB record found on line 5857 
    5014 REMARK MEMBER_SCORE : 41.069145 
    5015  
    5016 6 messages similar to the above omitted 
    5017 Duplicate atom serial number found: 4894 
    5018 Duplicate atom serial number found: 4895 
    5019 Duplicate atom serial number found: 4896 
    5020 Duplicate atom serial number found: 4897 
    5021 Duplicate atom serial number found: 4898 
    5022 27 messages similar to the above omitted 
    5023 Ignored bad PDB record found on line 5897 
    5024 REMARK FILE_NAME : seed-1-48-0-0-1.crd 
    5025  
    5026 Ignored bad PDB record found on line 5898 
    5027 REMARK CLUSTER_NUM : 25 
    5028  
    5029 Ignored bad PDB record found on line 5899 
    5030 REMARK CLUSTER_MEMBER : 2 
    5031  
    5032 Ignored bad PDB record found on line 5900 
    5033 REMARK MEMBER_ENERGY : 45.686391 
    5034  
    5035 Ignored bad PDB record found on line 5901 
    5036 REMARK MEMBER_SCORE : 45.686391 
    5037  
    5038 6 messages similar to the above omitted 
    5039 Duplicate atom serial number found: 4894 
    5040 Duplicate atom serial number found: 4895 
    5041 Duplicate atom serial number found: 4896 
    5042 Duplicate atom serial number found: 4897 
    5043 Duplicate atom serial number found: 4898 
    5044 27 messages similar to the above omitted 
    5045 Ignored bad PDB record found on line 5941 
    5046 REMARK FILE_NAME : seed-1-49-1-2-3.crd 
    5047  
    5048 Ignored bad PDB record found on line 5942 
    5049 REMARK CLUSTER_NUM : 25 
    5050  
    5051 Ignored bad PDB record found on line 5943 
    5052 REMARK CLUSTER_MEMBER : 3 
    5053  
    5054 Ignored bad PDB record found on line 5944 
    5055 REMARK MEMBER_ENERGY : 46.527783 
    5056  
    5057 Ignored bad PDB record found on line 5945 
    5058 REMARK MEMBER_SCORE : 46.527783 
    5059  
    5060 6 messages similar to the above omitted 
    5061 Duplicate atom serial number found: 4894 
    5062 Duplicate atom serial number found: 4895 
    5063 Duplicate atom serial number found: 4896 
    5064 Duplicate atom serial number found: 4897 
    5065 Duplicate atom serial number found: 4898 
    5066 27 messages similar to the above omitted 
    5067 Ignored bad PDB record found on line 5985 
    5068 REMARK FILE_NAME : seed-1-33-0-0-1.crd 
    5069  
    5070 Ignored bad PDB record found on line 5986 
    5071 REMARK CLUSTER_NUM : 26 
    5072  
    5073 Ignored bad PDB record found on line 5987 
    5074 REMARK CLUSTER_MEMBER : 1 
    5075  
    5076 Ignored bad PDB record found on line 5988 
    5077 REMARK MEMBER_ENERGY : 41.246337 
    5078  
    5079 Ignored bad PDB record found on line 5989 
    5080 REMARK MEMBER_SCORE : 41.246337 
    5081  
    5082 6 messages similar to the above omitted 
    5083 Duplicate atom serial number found: 4894 
    5084 Duplicate atom serial number found: 4895 
    5085 Duplicate atom serial number found: 4896 
    5086 Duplicate atom serial number found: 4897 
    5087 Duplicate atom serial number found: 4898 
    5088 27 messages similar to the above omitted 
    5089 Ignored bad PDB record found on line 6029 
    5090 REMARK FILE_NAME : seed-1-50-0-3-0.crd 
    5091  
    5092 Ignored bad PDB record found on line 6030 
    5093 REMARK CLUSTER_NUM : 27 
    5094  
    5095 Ignored bad PDB record found on line 6031 
    5096 REMARK CLUSTER_MEMBER : 1 
    5097  
    5098 Ignored bad PDB record found on line 6032 
    5099 REMARK MEMBER_ENERGY : 41.347225 
    5100  
    5101 Ignored bad PDB record found on line 6033 
    5102 REMARK MEMBER_SCORE : 41.347225 
    5103  
    5104 6 messages similar to the above omitted 
    5105 Duplicate atom serial number found: 4894 
    5106 Duplicate atom serial number found: 4895 
    5107 Duplicate atom serial number found: 4896 
    5108 Duplicate atom serial number found: 4897 
    5109 Duplicate atom serial number found: 4898 
    5110 27 messages similar to the above omitted 
    5111 Ignored bad PDB record found on line 6073 
    5112 REMARK FILE_NAME : seed-1-49-0-2-1.crd 
    5113  
    5114 Ignored bad PDB record found on line 6074 
    5115 REMARK CLUSTER_NUM : 27 
    5116  
    5117 Ignored bad PDB record found on line 6075 
    5118 REMARK CLUSTER_MEMBER : 2 
    5119  
    5120 Ignored bad PDB record found on line 6076 
    5121 REMARK MEMBER_ENERGY : 41.724451 
    5122  
    5123 Ignored bad PDB record found on line 6077 
    5124 REMARK MEMBER_SCORE : 41.724451 
    5125  
    5126 6 messages similar to the above omitted 
    5127 Duplicate atom serial number found: 4894 
    5128 Duplicate atom serial number found: 4895 
    5129 Duplicate atom serial number found: 4896 
    5130 Duplicate atom serial number found: 4897 
    5131 Duplicate atom serial number found: 4898 
    5132 27 messages similar to the above omitted 
    5133 Ignored bad PDB record found on line 6117 
    5134 REMARK FILE_NAME : seed-1-49-0-3-0.crd 
    5135  
    5136 Ignored bad PDB record found on line 6118 
    5137 REMARK CLUSTER_NUM : 27 
    5138  
    5139 Ignored bad PDB record found on line 6119 
    5140 REMARK CLUSTER_MEMBER : 3 
    5141  
    5142 Ignored bad PDB record found on line 6120 
    5143 REMARK MEMBER_ENERGY : 41.850481 
    5144  
    5145 Ignored bad PDB record found on line 6121 
    5146 REMARK MEMBER_SCORE : 41.850481 
    5147  
    5148 6 messages similar to the above omitted 
    5149 Duplicate atom serial number found: 4894 
    5150 Duplicate atom serial number found: 4895 
    5151 Duplicate atom serial number found: 4896 
    5152 Duplicate atom serial number found: 4897 
    5153 Duplicate atom serial number found: 4898 
    5154 27 messages similar to the above omitted 
    5155 Ignored bad PDB record found on line 6161 
    5156 REMARK FILE_NAME : seed-1-12-0-2-3.crd 
    5157  
    5158 Ignored bad PDB record found on line 6162 
    5159 REMARK CLUSTER_NUM : 28 
    5160  
    5161 Ignored bad PDB record found on line 6163 
    5162 REMARK CLUSTER_MEMBER : 1 
    5163  
    5164 Ignored bad PDB record found on line 6164 
    5165 REMARK MEMBER_ENERGY : 41.390058 
    5166  
    5167 Ignored bad PDB record found on line 6165 
    5168 REMARK MEMBER_SCORE : 41.390058 
    5169  
    5170 6 messages similar to the above omitted 
    5171 Duplicate atom serial number found: 4894 
    5172 Duplicate atom serial number found: 4895 
    5173 Duplicate atom serial number found: 4896 
    5174 Duplicate atom serial number found: 4897 
    5175 Duplicate atom serial number found: 4898 
    5176 27 messages similar to the above omitted 
    5177 Ignored bad PDB record found on line 6205 
    5178 REMARK FILE_NAME : seed-1-7-0-1-1.crd 
    5179  
    5180 Ignored bad PDB record found on line 6206 
    5181 REMARK CLUSTER_NUM : 28 
    5182  
    5183 Ignored bad PDB record found on line 6207 
    5184 REMARK CLUSTER_MEMBER : 2 
    5185  
    5186 Ignored bad PDB record found on line 6208 
    5187 REMARK MEMBER_ENERGY : 41.934014 
    5188  
    5189 Ignored bad PDB record found on line 6209 
    5190 REMARK MEMBER_SCORE : 41.934014 
    5191  
    5192 6 messages similar to the above omitted 
    5193 Duplicate atom serial number found: 4894 
    5194 Duplicate atom serial number found: 4895 
    5195 Duplicate atom serial number found: 4896 
    5196 Duplicate atom serial number found: 4897 
    5197 Duplicate atom serial number found: 4898 
    5198 27 messages similar to the above omitted 
    5199 Ignored bad PDB record found on line 6249 
    5200 REMARK FILE_NAME : seed-1-14-0-0-2.crd 
    5201  
    5202 Ignored bad PDB record found on line 6250 
    5203 REMARK CLUSTER_NUM : 28 
    5204  
    5205 Ignored bad PDB record found on line 6251 
    5206 REMARK CLUSTER_MEMBER : 3 
    5207  
    5208 Ignored bad PDB record found on line 6252 
    5209 REMARK MEMBER_ENERGY : 42.028779 
    5210  
    5211 Ignored bad PDB record found on line 6253 
    5212 REMARK MEMBER_SCORE : 42.028779 
    5213  
    5214 6 messages similar to the above omitted 
    5215 Duplicate atom serial number found: 4894 
    5216 Duplicate atom serial number found: 4895 
    5217 Duplicate atom serial number found: 4896 
    5218 Duplicate atom serial number found: 4897 
    5219 Duplicate atom serial number found: 4898 
    5220 27 messages similar to the above omitted 
    5221 Ignored bad PDB record found on line 6293 
    5222 REMARK FILE_NAME : seed-1-13-0-0-1.crd 
    5223  
    5224 Ignored bad PDB record found on line 6294 
    5225 REMARK CLUSTER_NUM : 28 
    5226  
    5227 Ignored bad PDB record found on line 6295 
    5228 REMARK CLUSTER_MEMBER : 4 
    5229  
    5230 Ignored bad PDB record found on line 6296 
    5231 REMARK MEMBER_ENERGY : 42.692822 
    5232  
    5233 Ignored bad PDB record found on line 6297 
    5234 REMARK MEMBER_SCORE : 42.692822 
    5235  
    5236 6 messages similar to the above omitted 
    5237 Duplicate atom serial number found: 4894 
    5238 Duplicate atom serial number found: 4895 
    5239 Duplicate atom serial number found: 4896 
    5240 Duplicate atom serial number found: 4897 
    5241 Duplicate atom serial number found: 4898 
    5242 27 messages similar to the above omitted 
    5243 Ignored bad PDB record found on line 6337 
    5244 REMARK FILE_NAME : seed-1-21-0-1-1.crd 
    5245  
    5246 Ignored bad PDB record found on line 6338 
    5247 REMARK CLUSTER_NUM : 28 
    5248  
    5249 Ignored bad PDB record found on line 6339 
    5250 REMARK CLUSTER_MEMBER : 5 
    5251  
    5252 Ignored bad PDB record found on line 6340 
    5253 REMARK MEMBER_ENERGY : 42.733490 
    5254  
    5255 Ignored bad PDB record found on line 6341 
    5256 REMARK MEMBER_SCORE : 42.733490 
    5257  
    5258 6 messages similar to the above omitted 
    5259 Duplicate atom serial number found: 4894 
    5260 Duplicate atom serial number found: 4895 
    5261 Duplicate atom serial number found: 4896 
    5262 Duplicate atom serial number found: 4897 
    5263 Duplicate atom serial number found: 4898 
    5264 27 messages similar to the above omitted 
    5265 Ignored bad PDB record found on line 6381 
    5266 REMARK FILE_NAME : seed-1-13-0-2-3.crd 
    5267  
    5268 Ignored bad PDB record found on line 6382 
    5269 REMARK CLUSTER_NUM : 28 
    5270  
    5271 Ignored bad PDB record found on line 6383 
    5272 REMARK CLUSTER_MEMBER : 6 
    5273  
    5274 Ignored bad PDB record found on line 6384 
    5275 REMARK MEMBER_ENERGY : 42.992868 
    5276  
    5277 Ignored bad PDB record found on line 6385 
    5278 REMARK MEMBER_SCORE : 42.992868 
    5279  
    5280 6 messages similar to the above omitted 
    5281 Duplicate atom serial number found: 4894 
    5282 Duplicate atom serial number found: 4895 
    5283 Duplicate atom serial number found: 4896 
    5284 Duplicate atom serial number found: 4897 
    5285 Duplicate atom serial number found: 4898 
    5286 27 messages similar to the above omitted 
    5287 Ignored bad PDB record found on line 6425 
    5288 REMARK FILE_NAME : seed-1-23-0-0-2.crd 
    5289  
    5290 Ignored bad PDB record found on line 6426 
    5291 REMARK CLUSTER_NUM : 28 
    5292  
    5293 Ignored bad PDB record found on line 6427 
    5294 REMARK CLUSTER_MEMBER : 7 
    5295  
    5296 Ignored bad PDB record found on line 6428 
    5297 REMARK MEMBER_ENERGY : 43.070481 
    5298  
    5299 Ignored bad PDB record found on line 6429 
    5300 REMARK MEMBER_SCORE : 43.070481 
    5301  
    5302 6 messages similar to the above omitted 
    5303 Duplicate atom serial number found: 4894 
    5304 Duplicate atom serial number found: 4895 
    5305 Duplicate atom serial number found: 4896 
    5306 Duplicate atom serial number found: 4897 
    5307 Duplicate atom serial number found: 4898 
    5308 27 messages similar to the above omitted 
    5309 Ignored bad PDB record found on line 6469 
    5310 REMARK FILE_NAME : seed-1-11-0-0-2.crd 
    5311  
    5312 Ignored bad PDB record found on line 6470 
    5313 REMARK CLUSTER_NUM : 28 
    5314  
    5315 Ignored bad PDB record found on line 6471 
    5316 REMARK CLUSTER_MEMBER : 8 
    5317  
    5318 Ignored bad PDB record found on line 6472 
    5319 REMARK MEMBER_ENERGY : 43.812859 
    5320  
    5321 Ignored bad PDB record found on line 6473 
    5322 REMARK MEMBER_SCORE : 43.812859 
    5323  
    5324 6 messages similar to the above omitted 
    5325 Duplicate atom serial number found: 4894 
    5326 Duplicate atom serial number found: 4895 
    5327 Duplicate atom serial number found: 4896 
    5328 Duplicate atom serial number found: 4897 
    5329 Duplicate atom serial number found: 4898 
    5330 27 messages similar to the above omitted 
    5331 Ignored bad PDB record found on line 6513 
    5332 REMARK FILE_NAME : seed-1-24-1-0-1.crd 
    5333  
    5334 Ignored bad PDB record found on line 6514 
    5335 REMARK CLUSTER_NUM : 29 
    5336  
    5337 Ignored bad PDB record found on line 6515 
    5338 REMARK CLUSTER_MEMBER : 1 
    5339  
    5340 Ignored bad PDB record found on line 6516 
    5341 REMARK MEMBER_ENERGY : 41.396060 
    5342  
    5343 Ignored bad PDB record found on line 6517 
    5344 REMARK MEMBER_SCORE : 41.396060 
    5345  
    5346 6 messages similar to the above omitted 
    5347 Duplicate atom serial number found: 4894 
    5348 Duplicate atom serial number found: 4895 
    5349 Duplicate atom serial number found: 4896 
    5350 Duplicate atom serial number found: 4897 
    5351 Duplicate atom serial number found: 4898 
    5352 27 messages similar to the above omitted 
    5353 Ignored bad PDB record found on line 6557 
    5354 REMARK FILE_NAME : seed-1-38-1-0-1.crd 
    5355  
    5356 Ignored bad PDB record found on line 6558 
    5357 REMARK CLUSTER_NUM : 29 
    5358  
    5359 Ignored bad PDB record found on line 6559 
    5360 REMARK CLUSTER_MEMBER : 2 
    5361  
    5362 Ignored bad PDB record found on line 6560 
    5363 REMARK MEMBER_ENERGY : 43.757652 
    5364  
    5365 Ignored bad PDB record found on line 6561 
    5366 REMARK MEMBER_SCORE : 43.757652 
    5367  
    5368 6 messages similar to the above omitted 
    5369 Duplicate atom serial number found: 4894 
    5370 Duplicate atom serial number found: 4895 
    5371 Duplicate atom serial number found: 4896 
    5372 Duplicate atom serial number found: 4897 
    5373 Duplicate atom serial number found: 4898 
    5374 27 messages similar to the above omitted 
    5375 Ignored bad PDB record found on line 6601 
    5376 REMARK FILE_NAME : seed-1-25-1-0-1.crd 
    5377  
    5378 Ignored bad PDB record found on line 6602 
    5379 REMARK CLUSTER_NUM : 29 
    5380  
    5381 Ignored bad PDB record found on line 6603 
    5382 REMARK CLUSTER_MEMBER : 3 
    5383  
    5384 Ignored bad PDB record found on line 6604 
    5385 REMARK MEMBER_ENERGY : 48.222009 
    5386  
    5387 Ignored bad PDB record found on line 6605 
    5388 REMARK MEMBER_SCORE : 48.222009 
    5389  
    5390 6 messages similar to the above omitted 
    5391 Duplicate atom serial number found: 4894 
    5392 Duplicate atom serial number found: 4895 
    5393 Duplicate atom serial number found: 4896 
    5394 Duplicate atom serial number found: 4897 
    5395 Duplicate atom serial number found: 4898 
    5396 27 messages similar to the above omitted 
    5397 Ignored bad PDB record found on line 6645 
    5398 REMARK FILE_NAME : seed-1-15-1-0-1.crd 
    5399  
    5400 Ignored bad PDB record found on line 6646 
    5401 REMARK CLUSTER_NUM : 29 
    5402  
    5403 Ignored bad PDB record found on line 6647 
    5404 REMARK CLUSTER_MEMBER : 4 
    5405  
    5406 Ignored bad PDB record found on line 6648 
    5407 REMARK MEMBER_ENERGY : 58.164330 
    5408  
    5409 Ignored bad PDB record found on line 6649 
    5410 REMARK MEMBER_SCORE : 58.164330 
    5411  
    5412 6 messages similar to the above omitted 
    5413 Duplicate atom serial number found: 4894 
    5414 Duplicate atom serial number found: 4895 
    5415 Duplicate atom serial number found: 4896 
    5416 Duplicate atom serial number found: 4897 
    5417 Duplicate atom serial number found: 4898 
    5418 27 messages similar to the above omitted 
    5419 Ignored bad PDB record found on line 6689 
    5420 REMARK FILE_NAME : seed-1-45-0-0-2.crd 
    5421  
    5422 Ignored bad PDB record found on line 6690 
    5423 REMARK CLUSTER_NUM : 30 
    5424  
    5425 Ignored bad PDB record found on line 6691 
    5426 REMARK CLUSTER_MEMBER : 1 
    5427  
    5428 Ignored bad PDB record found on line 6692 
    5429 REMARK MEMBER_ENERGY : 41.401538 
    5430  
    5431 Ignored bad PDB record found on line 6693 
    5432 REMARK MEMBER_SCORE : 41.401538 
    5433  
    5434 6 messages similar to the above omitted 
    5435 Duplicate atom serial number found: 4894 
    5436 Duplicate atom serial number found: 4895 
    5437 Duplicate atom serial number found: 4896 
    5438 Duplicate atom serial number found: 4897 
    5439 Duplicate atom serial number found: 4898 
    5440 27 messages similar to the above omitted 
    5441 Ignored bad PDB record found on line 6733 
    5442 REMARK FILE_NAME : seed-1-50-1-2-0.crd 
    5443  
    5444 Ignored bad PDB record found on line 6734 
    5445 REMARK CLUSTER_NUM : 31 
    5446  
    5447 Ignored bad PDB record found on line 6735 
    5448 REMARK CLUSTER_MEMBER : 1 
    5449  
    5450 Ignored bad PDB record found on line 6736 
    5451 REMARK MEMBER_ENERGY : 41.426450 
    5452  
    5453 Ignored bad PDB record found on line 6737 
    5454 REMARK MEMBER_SCORE : 41.426450 
    5455  
    5456 6 messages similar to the above omitted 
    5457 Duplicate atom serial number found: 4894 
    5458 Duplicate atom serial number found: 4895 
    5459 Duplicate atom serial number found: 4896 
    5460 Duplicate atom serial number found: 4897 
    5461 Duplicate atom serial number found: 4898 
    5462 27 messages similar to the above omitted 
    5463 Ignored bad PDB record found on line 6777 
    5464 REMARK FILE_NAME : seed-1-34-0-1-0.crd 
    5465  
    5466 Ignored bad PDB record found on line 6778 
    5467 REMARK CLUSTER_NUM : 32 
    5468  
    5469 Ignored bad PDB record found on line 6779 
    5470 REMARK CLUSTER_MEMBER : 1 
    5471  
    5472 Ignored bad PDB record found on line 6780 
    5473 REMARK MEMBER_ENERGY : 41.738930 
    5474  
    5475 Ignored bad PDB record found on line 6781 
    5476 REMARK MEMBER_SCORE : 41.738930 
    5477  
    5478 6 messages similar to the above omitted 
    5479 Duplicate atom serial number found: 4894 
    5480 Duplicate atom serial number found: 4895 
    5481 Duplicate atom serial number found: 4896 
    5482 Duplicate atom serial number found: 4897 
    5483 Duplicate atom serial number found: 4898 
    5484 27 messages similar to the above omitted 
    5485 Ignored bad PDB record found on line 6821 
    5486 REMARK FILE_NAME : seed-1-48-0-3-3.crd 
    5487  
    5488 Ignored bad PDB record found on line 6822 
    5489 REMARK CLUSTER_NUM : 33 
    5490  
    5491 Ignored bad PDB record found on line 6823 
    5492 REMARK CLUSTER_MEMBER : 1 
    5493  
    5494 Ignored bad PDB record found on line 6824 
    5495 REMARK MEMBER_ENERGY : 41.768920 
    5496  
    5497 Ignored bad PDB record found on line 6825 
    5498 REMARK MEMBER_SCORE : 41.768920 
    5499  
    5500 6 messages similar to the above omitted 
    5501 Duplicate atom serial number found: 4894 
    5502 Duplicate atom serial number found: 4895 
    5503 Duplicate atom serial number found: 4896 
    5504 Duplicate atom serial number found: 4897 
    5505 Duplicate atom serial number found: 4898 
    5506 27 messages similar to the above omitted 
    5507 Ignored bad PDB record found on line 6865 
    5508 REMARK FILE_NAME : seed-1-47-0-0-3.crd 
    5509  
    5510 Ignored bad PDB record found on line 6866 
    5511 REMARK CLUSTER_NUM : 33 
    5512  
    5513 Ignored bad PDB record found on line 6867 
    5514 REMARK CLUSTER_MEMBER : 2 
    5515  
    5516 Ignored bad PDB record found on line 6868 
    5517 REMARK MEMBER_ENERGY : 41.816076 
    5518  
    5519 Ignored bad PDB record found on line 6869 
    5520 REMARK MEMBER_SCORE : 41.816076 
    5521  
    5522 6 messages similar to the above omitted 
    5523 Duplicate atom serial number found: 4894 
    5524 Duplicate atom serial number found: 4895 
    5525 Duplicate atom serial number found: 4896 
    5526 Duplicate atom serial number found: 4897 
    5527 Duplicate atom serial number found: 4898 
    5528 27 messages similar to the above omitted 
    5529 Ignored bad PDB record found on line 6909 
    5530 REMARK FILE_NAME : seed-1-50-0-0-3.crd 
    5531  
    5532 Ignored bad PDB record found on line 6910 
    5533 REMARK CLUSTER_NUM : 33 
    5534  
    5535 Ignored bad PDB record found on line 6911 
    5536 REMARK CLUSTER_MEMBER : 3 
    5537  
    5538 Ignored bad PDB record found on line 6912 
    5539 REMARK MEMBER_ENERGY : 43.117641 
    5540  
    5541 Ignored bad PDB record found on line 6913 
    5542 REMARK MEMBER_SCORE : 43.117641 
    5543  
    5544 6 messages similar to the above omitted 
    5545 Duplicate atom serial number found: 4894 
    5546 Duplicate atom serial number found: 4895 
    5547 Duplicate atom serial number found: 4896 
    5548 Duplicate atom serial number found: 4897 
    5549 Duplicate atom serial number found: 4898 
    5550 27 messages similar to the above omitted 
    5551 Ignored bad PDB record found on line 6953 
    5552 REMARK FILE_NAME : seed-1-42-1-2-1.crd 
    5553  
    5554 Ignored bad PDB record found on line 6954 
    5555 REMARK CLUSTER_NUM : 34 
    5556  
    5557 Ignored bad PDB record found on line 6955 
    5558 REMARK CLUSTER_MEMBER : 1 
    5559  
    5560 Ignored bad PDB record found on line 6956 
    5561 REMARK MEMBER_ENERGY : 41.929306 
    5562  
    5563 Ignored bad PDB record found on line 6957 
    5564 REMARK MEMBER_SCORE : 41.929306 
    5565  
    5566 6 messages similar to the above omitted 
    5567 Duplicate atom serial number found: 4894 
    5568 Duplicate atom serial number found: 4895 
    5569 Duplicate atom serial number found: 4896 
    5570 Duplicate atom serial number found: 4897 
    5571 Duplicate atom serial number found: 4898 
    5572 27 messages similar to the above omitted 
    5573 Ignored bad PDB record found on line 6997 
    5574 REMARK FILE_NAME : seed-1-46-0-0-3.crd 
    5575  
    5576 Ignored bad PDB record found on line 6998 
    5577 REMARK CLUSTER_NUM : 34 
    5578  
    5579 Ignored bad PDB record found on line 6999 
    5580 REMARK CLUSTER_MEMBER : 2 
    5581  
    5582 Ignored bad PDB record found on line 7000 
    5583 REMARK MEMBER_ENERGY : 42.982035 
    5584  
    5585 Ignored bad PDB record found on line 7001 
    5586 REMARK MEMBER_SCORE : 42.982035 
    5587  
    5588 6 messages similar to the above omitted 
    5589 Duplicate atom serial number found: 4894 
    5590 Duplicate atom serial number found: 4895 
    5591 Duplicate atom serial number found: 4896 
    5592 Duplicate atom serial number found: 4897 
    5593 Duplicate atom serial number found: 4898 
    5594 27 messages similar to the above omitted 
    5595 Ignored bad PDB record found on line 7041 
    5596 REMARK FILE_NAME : seed-1-49-0-2-0.crd 
    5597  
    5598 Ignored bad PDB record found on line 7042 
    5599 REMARK CLUSTER_NUM : 35 
    5600  
    5601 Ignored bad PDB record found on line 7043 
    5602 REMARK CLUSTER_MEMBER : 1 
    5603  
    5604 Ignored bad PDB record found on line 7044 
    5605 REMARK MEMBER_ENERGY : 41.969380 
    5606  
    5607 Ignored bad PDB record found on line 7045 
    5608 REMARK MEMBER_SCORE : 41.969380 
    5609  
    5610 6 messages similar to the above omitted 
    5611 Duplicate atom serial number found: 4894 
    5612 Duplicate atom serial number found: 4895 
    5613 Duplicate atom serial number found: 4896 
    5614 Duplicate atom serial number found: 4897 
    5615 Duplicate atom serial number found: 4898 
    5616 27 messages similar to the above omitted 
    5617 Ignored bad PDB record found on line 7085 
    5618 REMARK FILE_NAME : seed-1-49-0-3-3.crd 
    5619  
    5620 Ignored bad PDB record found on line 7086 
    5621 REMARK CLUSTER_NUM : 35 
    5622  
    5623 Ignored bad PDB record found on line 7087 
    5624 REMARK CLUSTER_MEMBER : 2 
    5625  
    5626 Ignored bad PDB record found on line 7088 
    5627 REMARK MEMBER_ENERGY : 43.434925 
    5628  
    5629 Ignored bad PDB record found on line 7089 
    5630 REMARK MEMBER_SCORE : 43.434925 
    5631  
    5632 6 messages similar to the above omitted 
    5633 Duplicate atom serial number found: 4894 
    5634 Duplicate atom serial number found: 4895 
    5635 Duplicate atom serial number found: 4896 
    5636 Duplicate atom serial number found: 4897 
    5637 Duplicate atom serial number found: 4898 
    5638 27 messages similar to the above omitted 
    5639 Ignored bad PDB record found on line 7129 
    5640 REMARK FILE_NAME : seed-1-48-1-0-1.crd 
    5641  
    5642 Ignored bad PDB record found on line 7130 
    5643 REMARK CLUSTER_NUM : 36 
    5644  
    5645 Ignored bad PDB record found on line 7131 
    5646 REMARK CLUSTER_MEMBER : 1 
    5647  
    5648 Ignored bad PDB record found on line 7132 
    5649 REMARK MEMBER_ENERGY : 41.987066 
    5650  
    5651 Ignored bad PDB record found on line 7133 
    5652 REMARK MEMBER_SCORE : 41.987066 
    5653  
    5654 6 messages similar to the above omitted 
    5655 Duplicate atom serial number found: 4894 
    5656 Duplicate atom serial number found: 4895 
    5657 Duplicate atom serial number found: 4896 
    5658 Duplicate atom serial number found: 4897 
    5659 Duplicate atom serial number found: 4898 
    5660 27 messages similar to the above omitted 
    5661 Ignored bad PDB record found on line 7173 
    5662 REMARK FILE_NAME : seed-1-34-0-1-2.crd 
    5663  
    5664 Ignored bad PDB record found on line 7174 
    5665 REMARK CLUSTER_NUM : 37 
    5666  
    5667 Ignored bad PDB record found on line 7175 
    5668 REMARK CLUSTER_MEMBER : 1 
    5669  
    5670 Ignored bad PDB record found on line 7176 
    5671 REMARK MEMBER_ENERGY : 42.023969 
    5672  
    5673 Ignored bad PDB record found on line 7177 
    5674 REMARK MEMBER_SCORE : 42.023969 
    5675  
    5676 6 messages similar to the above omitted 
    5677 Duplicate atom serial number found: 4894 
    5678 Duplicate atom serial number found: 4895 
    5679 Duplicate atom serial number found: 4896 
    5680 Duplicate atom serial number found: 4897 
    5681 Duplicate atom serial number found: 4898 
    5682 27 messages similar to the above omitted 
    5683 Ignored bad PDB record found on line 7217 
    5684 REMARK FILE_NAME : seed-1-41-0-0-1.crd 
    5685  
    5686 Ignored bad PDB record found on line 7218 
    5687 REMARK CLUSTER_NUM : 37 
    5688  
    5689 Ignored bad PDB record found on line 7219 
    5690 REMARK CLUSTER_MEMBER : 2 
    5691  
    5692 Ignored bad PDB record found on line 7220 
    5693 REMARK MEMBER_ENERGY : 44.258019 
    5694  
    5695 Ignored bad PDB record found on line 7221 
    5696 REMARK MEMBER_SCORE : 44.258019 
    5697  
    5698 6 messages similar to the above omitted 
    5699 Duplicate atom serial number found: 4894 
    5700 Duplicate atom serial number found: 4895 
    5701 Duplicate atom serial number found: 4896 
    5702 Duplicate atom serial number found: 4897 
    5703 Duplicate atom serial number found: 4898 
    5704 27 messages similar to the above omitted 
    5705 Ignored bad PDB record found on line 7261 
    5706 REMARK FILE_NAME : seed-1-41-1-2-0.crd 
    5707  
    5708 Ignored bad PDB record found on line 7262 
    5709 REMARK CLUSTER_NUM : 37 
    5710  
    5711 Ignored bad PDB record found on line 7263 
    5712 REMARK CLUSTER_MEMBER : 3 
    5713  
    5714 Ignored bad PDB record found on line 7264 
    5715 REMARK MEMBER_ENERGY : 44.410538 
    5716  
    5717 Ignored bad PDB record found on line 7265 
    5718 REMARK MEMBER_SCORE : 44.410538 
    5719  
    5720 6 messages similar to the above omitted 
    5721 Duplicate atom serial number found: 4894 
    5722 Duplicate atom serial number found: 4895 
    5723 Duplicate atom serial number found: 4896 
    5724 Duplicate atom serial number found: 4897 
    5725 Duplicate atom serial number found: 4898 
    5726 27 messages similar to the above omitted 
    5727 Ignored bad PDB record found on line 7305 
    5728 REMARK FILE_NAME : seed-1-34-0-0-1.crd 
    5729  
    5730 Ignored bad PDB record found on line 7306 
    5731 REMARK CLUSTER_NUM : 37 
    5732  
    5733 Ignored bad PDB record found on line 7307 
    5734 REMARK CLUSTER_MEMBER : 4 
    5735  
    5736 Ignored bad PDB record found on line 7308 
    5737 REMARK MEMBER_ENERGY : 44.554694 
    5738  
    5739 Ignored bad PDB record found on line 7309 
    5740 REMARK MEMBER_SCORE : 44.554694 
    5741  
    5742 6 messages similar to the above omitted 
    5743 Duplicate atom serial number found: 4894 
    5744 Duplicate atom serial number found: 4895 
    5745 Duplicate atom serial number found: 4896 
    5746 Duplicate atom serial number found: 4897 
    5747 Duplicate atom serial number found: 4898 
    5748 27 messages similar to the above omitted 
    5749 Ignored bad PDB record found on line 7349 
    5750 REMARK FILE_NAME : seed-1-41-1-0-3.crd 
    5751  
    5752 Ignored bad PDB record found on line 7350 
    5753 REMARK CLUSTER_NUM : 38 
    5754  
    5755 Ignored bad PDB record found on line 7351 
    5756 REMARK CLUSTER_MEMBER : 1 
    5757  
    5758 Ignored bad PDB record found on line 7352 
    5759 REMARK MEMBER_ENERGY : 42.055022 
    5760  
    5761 Ignored bad PDB record found on line 7353 
    5762 REMARK MEMBER_SCORE : 42.055022 
    5763  
    5764 6 messages similar to the above omitted 
    5765 Duplicate atom serial number found: 4894 
    5766 Duplicate atom serial number found: 4895 
    5767 Duplicate atom serial number found: 4896 
    5768 Duplicate atom serial number found: 4897 
    5769 Duplicate atom serial number found: 4898 
    5770 27 messages similar to the above omitted 
    5771 Ignored bad PDB record found on line 7393 
    5772 REMARK FILE_NAME : seed-1-40-1-0-3.crd 
    5773  
    5774 Ignored bad PDB record found on line 7394 
    5775 REMARK CLUSTER_NUM : 38 
    5776  
    5777 Ignored bad PDB record found on line 7395 
    5778 REMARK CLUSTER_MEMBER : 2 
    5779  
    5780 Ignored bad PDB record found on line 7396 
    5781 REMARK MEMBER_ENERGY : 47.372622 
    5782  
    5783 Ignored bad PDB record found on line 7397 
    5784 REMARK MEMBER_SCORE : 47.372622 
    5785  
    5786 6 messages similar to the above omitted 
    5787 Duplicate atom serial number found: 4894 
    5788 Duplicate atom serial number found: 4895 
    5789 Duplicate atom serial number found: 4896 
    5790 Duplicate atom serial number found: 4897 
    5791 Duplicate atom serial number found: 4898 
    5792 27 messages similar to the above omitted 
    5793 Ignored bad PDB record found on line 7437 
    5794 REMARK FILE_NAME : seed-1-33-1-0-3.crd 
    5795  
    5796 Ignored bad PDB record found on line 7438 
    5797 REMARK CLUSTER_NUM : 38 
    5798  
    5799 Ignored bad PDB record found on line 7439 
    5800 REMARK CLUSTER_MEMBER : 3 
    5801  
    5802 Ignored bad PDB record found on line 7440 
    5803 REMARK MEMBER_ENERGY : 47.694847 
    5804  
    5805 Ignored bad PDB record found on line 7441 
    5806 REMARK MEMBER_SCORE : 47.694847 
    5807  
    5808 6 messages similar to the above omitted 
    5809 Duplicate atom serial number found: 4894 
    5810 Duplicate atom serial number found: 4895 
    5811 Duplicate atom serial number found: 4896 
    5812 Duplicate atom serial number found: 4897 
    5813 Duplicate atom serial number found: 4898 
    5814 27 messages similar to the above omitted 
    5815 Ignored bad PDB record found on line 7481 
    5816 REMARK FILE_NAME : seed-1-34-0-2-1.crd 
    5817  
    5818 Ignored bad PDB record found on line 7482 
    5819 REMARK CLUSTER_NUM : 39 
    5820  
    5821 Ignored bad PDB record found on line 7483 
    5822 REMARK CLUSTER_MEMBER : 1 
    5823  
    5824 Ignored bad PDB record found on line 7484 
    5825 REMARK MEMBER_ENERGY : 42.122531 
    5826  
    5827 Ignored bad PDB record found on line 7485 
    5828 REMARK MEMBER_SCORE : 42.122531 
    5829  
    5830 6 messages similar to the above omitted 
    5831 Duplicate atom serial number found: 4894 
    5832 Duplicate atom serial number found: 4895 
    5833 Duplicate atom serial number found: 4896 
    5834 Duplicate atom serial number found: 4897 
    5835 Duplicate atom serial number found: 4898 
    5836 27 messages similar to the above omitted 
    5837 Ignored bad PDB record found on line 7525 
    5838 REMARK FILE_NAME : seed-1-41-0-2-1.crd 
    5839  
    5840 Ignored bad PDB record found on line 7526 
    5841 REMARK CLUSTER_NUM : 39 
    5842  
    5843 Ignored bad PDB record found on line 7527 
    5844 REMARK CLUSTER_MEMBER : 2 
    5845  
    5846 Ignored bad PDB record found on line 7528 
    5847 REMARK MEMBER_ENERGY : 44.259819 
    5848  
    5849 Ignored bad PDB record found on line 7529 
    5850 REMARK MEMBER_SCORE : 44.259819 
    5851  
    5852 6 messages similar to the above omitted 
    5853 Duplicate atom serial number found: 4894 
    5854 Duplicate atom serial number found: 4895 
    5855 Duplicate atom serial number found: 4896 
    5856 Duplicate atom serial number found: 4897 
    5857 Duplicate atom serial number found: 4898 
    5858 27 messages similar to the above omitted 
    5859 Ignored bad PDB record found on line 7569 
    5860 REMARK FILE_NAME : seed-1-33-0-2-1.crd 
    5861  
    5862 Ignored bad PDB record found on line 7570 
    5863 REMARK CLUSTER_NUM : 39 
    5864  
    5865 Ignored bad PDB record found on line 7571 
    5866 REMARK CLUSTER_MEMBER : 3 
    5867  
    5868 Ignored bad PDB record found on line 7572 
    5869 REMARK MEMBER_ENERGY : 44.728817 
    5870  
    5871 Ignored bad PDB record found on line 7573 
    5872 REMARK MEMBER_SCORE : 44.728817 
    5873  
    5874 6 messages similar to the above omitted 
    5875 Duplicate atom serial number found: 4894 
    5876 Duplicate atom serial number found: 4895 
    5877 Duplicate atom serial number found: 4896 
    5878 Duplicate atom serial number found: 4897 
    5879 Duplicate atom serial number found: 4898 
    5880 27 messages similar to the above omitted 
    5881 Ignored bad PDB record found on line 7613 
    5882 REMARK FILE_NAME : seed-1-41-1-0-0.crd 
    5883  
    5884 Ignored bad PDB record found on line 7614 
    5885 REMARK CLUSTER_NUM : 39 
    5886  
    5887 Ignored bad PDB record found on line 7615 
    5888 REMARK CLUSTER_MEMBER : 4 
    5889  
    5890 Ignored bad PDB record found on line 7616 
    5891 REMARK MEMBER_ENERGY : 45.624612 
    5892  
    5893 Ignored bad PDB record found on line 7617 
    5894 REMARK MEMBER_SCORE : 45.624612 
    5895  
    5896 6 messages similar to the above omitted 
    5897 Duplicate atom serial number found: 4894 
    5898 Duplicate atom serial number found: 4895 
    5899 Duplicate atom serial number found: 4896 
    5900 Duplicate atom serial number found: 4897 
    5901 Duplicate atom serial number found: 4898 
    5902 27 messages similar to the above omitted 
    5903 Ignored bad PDB record found on line 7657 
    5904 REMARK FILE_NAME : seed-1-46-0-1-1.crd 
    5905  
    5906 Ignored bad PDB record found on line 7658 
    5907 REMARK CLUSTER_NUM : 40 
    5908  
    5909 Ignored bad PDB record found on line 7659 
    5910 REMARK CLUSTER_MEMBER : 1 
    5911  
    5912 Ignored bad PDB record found on line 7660 
    5913 REMARK MEMBER_ENERGY : 42.208706 
    5914  
    5915 Ignored bad PDB record found on line 7661 
    5916 REMARK MEMBER_SCORE : 42.208706 
    5917  
    5918 6 messages similar to the above omitted 
    5919 Duplicate atom serial number found: 4894 
    5920 Duplicate atom serial number found: 4895 
    5921 Duplicate atom serial number found: 4896 
    5922 Duplicate atom serial number found: 4897 
    5923 Duplicate atom serial number found: 4898 
    5924 27 messages similar to the above omitted 
    5925 Ignored bad PDB record found on line 7701 
    5926 REMARK FILE_NAME : seed-1-44-0-0-1.crd 
    5927  
    5928 Ignored bad PDB record found on line 7702 
    5929 REMARK CLUSTER_NUM : 40 
    5930  
    5931 Ignored bad PDB record found on line 7703 
    5932 REMARK CLUSTER_MEMBER : 2 
    5933  
    5934 Ignored bad PDB record found on line 7704 
    5935 REMARK MEMBER_ENERGY : 44.948618 
    5936  
    5937 Ignored bad PDB record found on line 7705 
    5938 REMARK MEMBER_SCORE : 44.948618 
    5939  
    5940 6 messages similar to the above omitted 
    5941 Duplicate atom serial number found: 4894 
    5942 Duplicate atom serial number found: 4895 
    5943 Duplicate atom serial number found: 4896 
    5944 Duplicate atom serial number found: 4897 
    5945 Duplicate atom serial number found: 4898 
    5946 27 messages similar to the above omitted 
    5947 Ignored bad PDB record found on line 7745 
    5948 REMARK FILE_NAME : seed-1-42-0-0-1.crd 
    5949  
    5950 Ignored bad PDB record found on line 7746 
    5951 REMARK CLUSTER_NUM : 40 
    5952  
    5953 Ignored bad PDB record found on line 7747 
    5954 REMARK CLUSTER_MEMBER : 3 
    5955  
    5956 Ignored bad PDB record found on line 7748 
    5957 REMARK MEMBER_ENERGY : 46.053803 
    5958  
    5959 Ignored bad PDB record found on line 7749 
    5960 REMARK MEMBER_SCORE : 46.053803 
    5961  
    5962 6 messages similar to the above omitted 
    5963 Duplicate atom serial number found: 4894 
    5964 Duplicate atom serial number found: 4895 
    5965 Duplicate atom serial number found: 4896 
    5966 Duplicate atom serial number found: 4897 
    5967 Duplicate atom serial number found: 4898 
    5968 27 messages similar to the above omitted 
    5969 Ignored bad PDB record found on line 7789 
    5970 REMARK FILE_NAME : seed-1-46-0-1-2.crd 
    5971  
    5972 Ignored bad PDB record found on line 7790 
    5973 REMARK CLUSTER_NUM : 40 
    5974  
    5975 Ignored bad PDB record found on line 7791 
    5976 REMARK CLUSTER_MEMBER : 4 
    5977  
    5978 Ignored bad PDB record found on line 7792 
    5979 REMARK MEMBER_ENERGY : 47.344770 
    5980  
    5981 Ignored bad PDB record found on line 7793 
    5982 REMARK MEMBER_SCORE : 47.344770 
    5983  
    5984 6 messages similar to the above omitted 
    5985 Duplicate atom serial number found: 4894 
    5986 Duplicate atom serial number found: 4895 
    5987 Duplicate atom serial number found: 4896 
    5988 Duplicate atom serial number found: 4897 
    5989 Duplicate atom serial number found: 4898 
    5990 27 messages similar to the above omitted 
    5991 Ignored bad PDB record found on line 7833 
    5992 REMARK FILE_NAME : seed-1-40-0-0-1.crd 
    5993  
    5994 Ignored bad PDB record found on line 7834 
    5995 REMARK CLUSTER_NUM : 41 
    5996  
    5997 Ignored bad PDB record found on line 7835 
    5998 REMARK CLUSTER_MEMBER : 1 
    5999  
    6000 Ignored bad PDB record found on line 7836 
    6001 REMARK MEMBER_ENERGY : 42.469512 
    6002  
    6003 Ignored bad PDB record found on line 7837 
    6004 REMARK MEMBER_SCORE : 42.469512 
    6005  
    6006 6 messages similar to the above omitted 
    6007 Duplicate atom serial number found: 4894 
    6008 Duplicate atom serial number found: 4895 
    6009 Duplicate atom serial number found: 4896 
    6010 Duplicate atom serial number found: 4897 
    6011 Duplicate atom serial number found: 4898 
    6012 27 messages similar to the above omitted 
    6013 Ignored bad PDB record found on line 7877 
    6014 REMARK FILE_NAME : seed-1-33-1-2-3.crd 
    6015  
    6016 Ignored bad PDB record found on line 7878 
    6017 REMARK CLUSTER_NUM : 41 
    6018  
    6019 Ignored bad PDB record found on line 7879 
    6020 REMARK CLUSTER_MEMBER : 2 
    6021  
    6022 Ignored bad PDB record found on line 7880 
    6023 REMARK MEMBER_ENERGY : 44.796978 
    6024  
    6025 Ignored bad PDB record found on line 7881 
    6026 REMARK MEMBER_SCORE : 44.796978 
    6027  
    6028 6 messages similar to the above omitted 
    6029 Duplicate atom serial number found: 4894 
    6030 Duplicate atom serial number found: 4895 
    6031 Duplicate atom serial number found: 4896 
    6032 Duplicate atom serial number found: 4897 
    6033 Duplicate atom serial number found: 4898 
    6034 27 messages similar to the above omitted 
    6035 Ignored bad PDB record found on line 7921 
    6036 REMARK FILE_NAME : seed-1-34-1-2-3.crd 
    6037  
    6038 Ignored bad PDB record found on line 7922 
    6039 REMARK CLUSTER_NUM : 41 
    6040  
    6041 Ignored bad PDB record found on line 7923 
    6042 REMARK CLUSTER_MEMBER : 3 
    6043  
    6044 Ignored bad PDB record found on line 7924 
    6045 REMARK MEMBER_ENERGY : 45.251158 
    6046  
    6047 Ignored bad PDB record found on line 7925 
    6048 REMARK MEMBER_SCORE : 45.251158 
    6049  
    6050 6 messages similar to the above omitted 
    6051 Duplicate atom serial number found: 4894 
    6052 Duplicate atom serial number found: 4895 
    6053 Duplicate atom serial number found: 4896 
    6054 Duplicate atom serial number found: 4897 
    6055 Duplicate atom serial number found: 4898 
    6056 27 messages similar to the above omitted 
    6057 Ignored bad PDB record found on line 7965 
    6058 REMARK FILE_NAME : seed-1-45-0-0-0.crd 
    6059  
    6060 Ignored bad PDB record found on line 7966 
    6061 REMARK CLUSTER_NUM : 42 
    6062  
    6063 Ignored bad PDB record found on line 7967 
    6064 REMARK CLUSTER_MEMBER : 1 
    6065  
    6066 Ignored bad PDB record found on line 7968 
    6067 REMARK MEMBER_ENERGY : 42.592713 
    6068  
    6069 Ignored bad PDB record found on line 7969 
    6070 REMARK MEMBER_SCORE : 42.592713 
    6071  
    6072 6 messages similar to the above omitted 
    6073 Duplicate atom serial number found: 4894 
    6074 Duplicate atom serial number found: 4895 
    6075 Duplicate atom serial number found: 4896 
    6076 Duplicate atom serial number found: 4897 
    6077 Duplicate atom serial number found: 4898 
    6078 27 messages similar to the above omitted 
    6079 Ignored bad PDB record found on line 8009 
    6080 REMARK FILE_NAME : seed-1-45-0-2-1.crd 
    6081  
    6082 Ignored bad PDB record found on line 8010 
    6083 REMARK CLUSTER_NUM : 42 
    6084  
    6085 Ignored bad PDB record found on line 8011 
    6086 REMARK CLUSTER_MEMBER : 2 
    6087  
    6088 Ignored bad PDB record found on line 8012 
    6089 REMARK MEMBER_ENERGY : 43.457003 
    6090  
    6091 Ignored bad PDB record found on line 8013 
    6092 REMARK MEMBER_SCORE : 43.457003 
    6093  
    6094 6 messages similar to the above omitted 
    6095 Duplicate atom serial number found: 4894 
    6096 Duplicate atom serial number found: 4895 
    6097 Duplicate atom serial number found: 4896 
    6098 Duplicate atom serial number found: 4897 
    6099 Duplicate atom serial number found: 4898 
    6100 27 messages similar to the above omitted 
    6101 Ignored bad PDB record found on line 8053 
    6102 REMARK FILE_NAME : seed-1-45-0-1-1.crd 
    6103  
    6104 Ignored bad PDB record found on line 8054 
    6105 REMARK CLUSTER_NUM : 42 
    6106  
    6107 Ignored bad PDB record found on line 8055 
    6108 REMARK CLUSTER_MEMBER : 3 
    6109  
    6110 Ignored bad PDB record found on line 8056 
    6111 REMARK MEMBER_ENERGY : 43.934256 
    6112  
    6113 Ignored bad PDB record found on line 8057 
    6114 REMARK MEMBER_SCORE : 43.934256 
    6115  
    6116 6 messages similar to the above omitted 
    6117 Duplicate atom serial number found: 4894 
    6118 Duplicate atom serial number found: 4895 
    6119 Duplicate atom serial number found: 4896 
    6120 Duplicate atom serial number found: 4897 
    6121 Duplicate atom serial number found: 4898 
    6122 27 messages similar to the above omitted 
    6123 Ignored bad PDB record found on line 8097 
    6124 REMARK FILE_NAME : seed-1-41-1-2-2.crd 
    6125  
    6126 Ignored bad PDB record found on line 8098 
    6127 REMARK CLUSTER_NUM : 43 
    6128  
    6129 Ignored bad PDB record found on line 8099 
    6130 REMARK CLUSTER_MEMBER : 1 
    6131  
    6132 Ignored bad PDB record found on line 8100 
    6133 REMARK MEMBER_ENERGY : 42.627330 
    6134  
    6135 Ignored bad PDB record found on line 8101 
    6136 REMARK MEMBER_SCORE : 42.627330 
    6137  
    6138 6 messages similar to the above omitted 
    6139 Duplicate atom serial number found: 4894 
    6140 Duplicate atom serial number found: 4895 
    6141 Duplicate atom serial number found: 4896 
    6142 Duplicate atom serial number found: 4897 
    6143 Duplicate atom serial number found: 4898 
    6144 27 messages similar to the above omitted 
    6145 Ignored bad PDB record found on line 8141 
    6146 REMARK FILE_NAME : seed-1-33-1-2-2.crd 
    6147  
    6148 Ignored bad PDB record found on line 8142 
    6149 REMARK CLUSTER_NUM : 43 
    6150  
    6151 Ignored bad PDB record found on line 8143 
    6152 REMARK CLUSTER_MEMBER : 2 
    6153  
    6154 Ignored bad PDB record found on line 8144 
    6155 REMARK MEMBER_ENERGY : 43.699381 
    6156  
    6157 Ignored bad PDB record found on line 8145 
    6158 REMARK MEMBER_SCORE : 43.699381 
    6159  
    6160 6 messages similar to the above omitted 
    6161 Duplicate atom serial number found: 4894 
    6162 Duplicate atom serial number found: 4895 
    6163 Duplicate atom serial number found: 4896 
    6164 Duplicate atom serial number found: 4897 
    6165 Duplicate atom serial number found: 4898 
    6166 27 messages similar to the above omitted 
    6167 Ignored bad PDB record found on line 8185 
    6168 REMARK FILE_NAME : seed-1-34-1-2-2.crd 
    6169  
    6170 Ignored bad PDB record found on line 8186 
    6171 REMARK CLUSTER_NUM : 43 
    6172  
    6173 Ignored bad PDB record found on line 8187 
    6174 REMARK CLUSTER_MEMBER : 3 
    6175  
    6176 Ignored bad PDB record found on line 8188 
    6177 REMARK MEMBER_ENERGY : 45.425323 
    6178  
    6179 Ignored bad PDB record found on line 8189 
    6180 REMARK MEMBER_SCORE : 45.425323 
    6181  
    6182 6 messages similar to the above omitted 
    6183 Duplicate atom serial number found: 4894 
    6184 Duplicate atom serial number found: 4895 
    6185 Duplicate atom serial number found: 4896 
    6186 Duplicate atom serial number found: 4897 
    6187 Duplicate atom serial number found: 4898 
    6188 27 messages similar to the above omitted 
    6189 Ignored bad PDB record found on line 8229 
    6190 REMARK FILE_NAME : seed-1-9-1-0-0.crd 
    6191  
    6192 Ignored bad PDB record found on line 8230 
    6193 REMARK CLUSTER_NUM : 44 
    6194  
    6195 Ignored bad PDB record found on line 8231 
    6196 REMARK CLUSTER_MEMBER : 1 
    6197  
    6198 Ignored bad PDB record found on line 8232 
    6199 REMARK MEMBER_ENERGY : 42.656707 
    6200  
    6201 Ignored bad PDB record found on line 8233 
    6202 REMARK MEMBER_SCORE : 42.656707 
    6203  
    6204 6 messages similar to the above omitted 
    6205 Duplicate atom serial number found: 4894 
    6206 Duplicate atom serial number found: 4895 
    6207 Duplicate atom serial number found: 4896 
    6208 Duplicate atom serial number found: 4897 
    6209 Duplicate atom serial number found: 4898 
    6210 27 messages similar to the above omitted 
    6211 Ignored bad PDB record found on line 8273 
    6212 REMARK FILE_NAME : seed-1-38-1-0-0.crd 
    6213  
    6214 Ignored bad PDB record found on line 8274 
    6215 REMARK CLUSTER_NUM : 44 
    6216  
    6217 Ignored bad PDB record found on line 8275 
    6218 REMARK CLUSTER_MEMBER : 2 
    6219  
    6220 Ignored bad PDB record found on line 8276 
    6221 REMARK MEMBER_ENERGY : 42.759804 
    6222  
    6223 Ignored bad PDB record found on line 8277 
    6224 REMARK MEMBER_SCORE : 42.759804 
    6225  
    6226 6 messages similar to the above omitted 
    6227 Duplicate atom serial number found: 4894 
    6228 Duplicate atom serial number found: 4895 
    6229 Duplicate atom serial number found: 4896 
    6230 Duplicate atom serial number found: 4897 
    6231 Duplicate atom serial number found: 4898 
    6232 27 messages similar to the above omitted 
    6233 Ignored bad PDB record found on line 8317 
    6234 REMARK FILE_NAME : seed-1-21-1-0-2.crd 
    6235  
    6236 Ignored bad PDB record found on line 8318 
    6237 REMARK CLUSTER_NUM : 44 
    6238  
    6239 Ignored bad PDB record found on line 8319 
    6240 REMARK CLUSTER_MEMBER : 3 
    6241  
    6242 Ignored bad PDB record found on line 8320 
    6243 REMARK MEMBER_ENERGY : 47.069016 
    6244  
    6245 Ignored bad PDB record found on line 8321 
    6246 REMARK MEMBER_SCORE : 47.069016 
    6247  
    6248 6 messages similar to the above omitted 
    6249 Duplicate atom serial number found: 4894 
    6250 Duplicate atom serial number found: 4895 
    6251 Duplicate atom serial number found: 4896 
    6252 Duplicate atom serial number found: 4897 
    6253 Duplicate atom serial number found: 4898 
    6254 27 messages similar to the above omitted 
    6255 Ignored bad PDB record found on line 8361 
    6256 REMARK FILE_NAME : seed-1-19-0-0-0.crd 
    6257  
    6258 Ignored bad PDB record found on line 8362 
    6259 REMARK CLUSTER_NUM : 44 
    6260  
    6261 Ignored bad PDB record found on line 8363 
    6262 REMARK CLUSTER_MEMBER : 4 
    6263  
    6264 Ignored bad PDB record found on line 8364 
    6265 REMARK MEMBER_ENERGY : 48.512068 
    6266  
    6267 Ignored bad PDB record found on line 8365 
    6268 REMARK MEMBER_SCORE : 48.512068 
    6269  
    6270 6 messages similar to the above omitted 
    6271 Duplicate atom serial number found: 4894 
    6272 Duplicate atom serial number found: 4895 
    6273 Duplicate atom serial number found: 4896 
    6274 Duplicate atom serial number found: 4897 
    6275 Duplicate atom serial number found: 4898 
    6276 27 messages similar to the above omitted 
    6277 Ignored bad PDB record found on line 8405 
    6278 REMARK FILE_NAME : seed-1-10-0-2-0.crd 
    6279  
    6280 Ignored bad PDB record found on line 8406 
    6281 REMARK CLUSTER_NUM : 44 
    6282  
    6283 Ignored bad PDB record found on line 8407 
    6284 REMARK CLUSTER_MEMBER : 5 
    6285  
    6286 Ignored bad PDB record found on line 8408 
    6287 REMARK MEMBER_ENERGY : 50.092520 
    6288  
    6289 Ignored bad PDB record found on line 8409 
    6290 REMARK MEMBER_SCORE : 50.092520 
    6291  
    6292 6 messages similar to the above omitted 
    6293 Duplicate atom serial number found: 4894 
    6294 Duplicate atom serial number found: 4895 
    6295 Duplicate atom serial number found: 4896 
    6296 Duplicate atom serial number found: 4897 
    6297 Duplicate atom serial number found: 4898 
    6298 27 messages similar to the above omitted 
    6299 Ignored bad PDB record found on line 8449 
    6300 REMARK FILE_NAME : seed-1-28-0-3-0.crd 
    6301  
    6302 Ignored bad PDB record found on line 8450 
    6303 REMARK CLUSTER_NUM : 44 
    6304  
    6305 Ignored bad PDB record found on line 8451 
    6306 REMARK CLUSTER_MEMBER : 6 
    6307  
    6308 Ignored bad PDB record found on line 8452 
    6309 REMARK MEMBER_ENERGY : 52.066559 
    6310  
    6311 Ignored bad PDB record found on line 8453 
    6312 REMARK MEMBER_SCORE : 52.066559 
    6313  
    6314 6 messages similar to the above omitted 
    6315 Duplicate atom serial number found: 4894 
    6316 Duplicate atom serial number found: 4895 
    6317 Duplicate atom serial number found: 4896 
    6318 Duplicate atom serial number found: 4897 
    6319 Duplicate atom serial number found: 4898 
    6320 27 messages similar to the above omitted 
    6321 Ignored bad PDB record found on line 8493 
    6322 REMARK FILE_NAME : seed-1-37-1-0-0.crd 
    6323  
    6324 Ignored bad PDB record found on line 8494 
    6325 REMARK CLUSTER_NUM : 44 
    6326  
    6327 Ignored bad PDB record found on line 8495 
    6328 REMARK CLUSTER_MEMBER : 7 
    6329  
    6330 Ignored bad PDB record found on line 8496 
    6331 REMARK MEMBER_ENERGY : 52.890942 
    6332  
    6333 Ignored bad PDB record found on line 8497 
    6334 REMARK MEMBER_SCORE : 52.890942 
    6335  
    6336 6 messages similar to the above omitted 
    6337 Duplicate atom serial number found: 4894 
    6338 Duplicate atom serial number found: 4895 
    6339 Duplicate atom serial number found: 4896 
    6340 Duplicate atom serial number found: 4897 
    6341 Duplicate atom serial number found: 4898 
    6342 27 messages similar to the above omitted 
    6343 Ignored bad PDB record found on line 8537 
    6344 REMARK FILE_NAME : seed-1-36-1-0-0.crd 
    6345  
    6346 Ignored bad PDB record found on line 8538 
    6347 REMARK CLUSTER_NUM : 44 
    6348  
    6349 Ignored bad PDB record found on line 8539 
    6350 REMARK CLUSTER_MEMBER : 8 
    6351  
    6352 Ignored bad PDB record found on line 8540 
    6353 REMARK MEMBER_ENERGY : 110.630772 
    6354  
    6355 Ignored bad PDB record found on line 8541 
    6356 REMARK MEMBER_SCORE : 110.630772 
    6357  
    6358 6 messages similar to the above omitted 
    6359 Duplicate atom serial number found: 4894 
    6360 Duplicate atom serial number found: 4895 
    6361 Duplicate atom serial number found: 4896 
    6362 Duplicate atom serial number found: 4897 
    6363 Duplicate atom serial number found: 4898 
    6364 27 messages similar to the above omitted 
    6365 Ignored bad PDB record found on line 8581 
    6366 REMARK FILE_NAME : seed-1-45-0-2-2.crd 
    6367  
    6368 Ignored bad PDB record found on line 8582 
    6369 REMARK CLUSTER_NUM : 45 
    6370  
    6371 Ignored bad PDB record found on line 8583 
    6372 REMARK CLUSTER_MEMBER : 1 
    6373  
    6374 Ignored bad PDB record found on line 8584 
    6375 REMARK MEMBER_ENERGY : 42.720632 
    6376  
    6377 Ignored bad PDB record found on line 8585 
    6378 REMARK MEMBER_SCORE : 42.720632 
    6379  
    6380 6 messages similar to the above omitted 
    6381 Duplicate atom serial number found: 4894 
    6382 Duplicate atom serial number found: 4895 
    6383 Duplicate atom serial number found: 4896 
    6384 Duplicate atom serial number found: 4897 
    6385 Duplicate atom serial number found: 4898 
    6386 27 messages similar to the above omitted 
    6387 Ignored bad PDB record found on line 8625 
    6388 REMARK FILE_NAME : seed-1-50-0-3-3.crd 
    6389  
    6390 Ignored bad PDB record found on line 8626 
    6391 REMARK CLUSTER_NUM : 46 
    6392  
    6393 Ignored bad PDB record found on line 8627 
    6394 REMARK CLUSTER_MEMBER : 1 
    6395  
    6396 Ignored bad PDB record found on line 8628 
    6397 REMARK MEMBER_ENERGY : 42.840352 
    6398  
    6399 Ignored bad PDB record found on line 8629 
    6400 REMARK MEMBER_SCORE : 42.840352 
    6401  
    6402 6 messages similar to the above omitted 
    6403 Duplicate atom serial number found: 4894 
    6404 Duplicate atom serial number found: 4895 
    6405 Duplicate atom serial number found: 4896 
    6406 Duplicate atom serial number found: 4897 
    6407 Duplicate atom serial number found: 4898 
    6408 27 messages similar to the above omitted 
    6409 Ignored bad PDB record found on line 8669 
    6410 REMARK FILE_NAME : seed-1-45-1-0-1.crd 
    6411  
    6412 Ignored bad PDB record found on line 8670 
    6413 REMARK CLUSTER_NUM : 47 
    6414  
    6415 Ignored bad PDB record found on line 8671 
    6416 REMARK CLUSTER_MEMBER : 1 
    6417  
    6418 Ignored bad PDB record found on line 8672 
    6419 REMARK MEMBER_ENERGY : 42.850490 
    6420  
    6421 Ignored bad PDB record found on line 8673 
    6422 REMARK MEMBER_SCORE : 42.850490 
    6423  
    6424 6 messages similar to the above omitted 
    6425 Duplicate atom serial number found: 4894 
    6426 Duplicate atom serial number found: 4895 
    6427 Duplicate atom serial number found: 4896 
    6428 Duplicate atom serial number found: 4897 
    6429 Duplicate atom serial number found: 4898 
    6430 27 messages similar to the above omitted 
    6431 Ignored bad PDB record found on line 8713 
    6432 REMARK FILE_NAME : seed-1-46-1-2-2.crd 
    6433  
    6434 Ignored bad PDB record found on line 8714 
    6435 REMARK CLUSTER_NUM : 48 
    6436  
    6437 Ignored bad PDB record found on line 8715 
    6438 REMARK CLUSTER_MEMBER : 1 
    6439  
    6440 Ignored bad PDB record found on line 8716 
    6441 REMARK MEMBER_ENERGY : 42.891259 
    6442  
    6443 Ignored bad PDB record found on line 8717 
    6444 REMARK MEMBER_SCORE : 42.891259 
    6445  
    6446 6 messages similar to the above omitted 
    6447 Duplicate atom serial number found: 4894 
    6448 Duplicate atom serial number found: 4895 
    6449 Duplicate atom serial number found: 4896 
    6450 Duplicate atom serial number found: 4897 
    6451 Duplicate atom serial number found: 4898 
    6452 27 messages similar to the above omitted 
    6453 Ignored bad PDB record found on line 8757 
    6454 REMARK FILE_NAME : seed-1-44-1-2-2.crd 
    6455  
    6456 Ignored bad PDB record found on line 8758 
    6457 REMARK CLUSTER_NUM : 48 
    6458  
    6459 Ignored bad PDB record found on line 8759 
    6460 REMARK CLUSTER_MEMBER : 2 
    6461  
    6462 Ignored bad PDB record found on line 8760 
    6463 REMARK MEMBER_ENERGY : 43.438946 
    6464  
    6465 Ignored bad PDB record found on line 8761 
    6466 REMARK MEMBER_SCORE : 43.438946 
    6467  
    6468 6 messages similar to the above omitted 
    6469 Duplicate atom serial number found: 4894 
    6470 Duplicate atom serial number found: 4895 
    6471 Duplicate atom serial number found: 4896 
    6472 Duplicate atom serial number found: 4897 
    6473 Duplicate atom serial number found: 4898 
    6474 27 messages similar to the above omitted 
    6475 Ignored bad PDB record found on line 8801 
    6476 REMARK FILE_NAME : seed-1-44-0-1-2.crd 
    6477  
    6478 Ignored bad PDB record found on line 8802 
    6479 REMARK CLUSTER_NUM : 48 
    6480  
    6481 Ignored bad PDB record found on line 8803 
    6482 REMARK CLUSTER_MEMBER : 3 
    6483  
    6484 Ignored bad PDB record found on line 8804 
    6485 REMARK MEMBER_ENERGY : 45.322462 
    6486  
    6487 Ignored bad PDB record found on line 8805 
    6488 REMARK MEMBER_SCORE : 45.322462 
    6489  
    6490 6 messages similar to the above omitted 
    6491 Duplicate atom serial number found: 4894 
    6492 Duplicate atom serial number found: 4895 
    6493 Duplicate atom serial number found: 4896 
    6494 Duplicate atom serial number found: 4897 
    6495 Duplicate atom serial number found: 4898 
    6496 27 messages similar to the above omitted 
    6497 Ignored bad PDB record found on line 8845 
    6498 REMARK FILE_NAME : seed-1-42-1-2-2.crd 
    6499  
    6500 Ignored bad PDB record found on line 8846 
    6501 REMARK CLUSTER_NUM : 48 
    6502  
    6503 Ignored bad PDB record found on line 8847 
    6504 REMARK CLUSTER_MEMBER : 4 
    6505  
    6506 Ignored bad PDB record found on line 8848 
    6507 REMARK MEMBER_ENERGY : 46.477461 
    6508  
    6509 Ignored bad PDB record found on line 8849 
    6510 REMARK MEMBER_SCORE : 46.477461 
    6511  
    6512 6 messages similar to the above omitted 
    6513 Duplicate atom serial number found: 4894 
    6514 Duplicate atom serial number found: 4895 
    6515 Duplicate atom serial number found: 4896 
    6516 Duplicate atom serial number found: 4897 
    6517 Duplicate atom serial number found: 4898 
    6518 27 messages similar to the above omitted 
    6519 Ignored bad PDB record found on line 8889 
    6520 REMARK FILE_NAME : seed-1-40-0-1-0.crd 
    6521  
    6522 Ignored bad PDB record found on line 8890 
    6523 REMARK CLUSTER_NUM : 49 
    6524  
    6525 Ignored bad PDB record found on line 8891 
    6526 REMARK CLUSTER_MEMBER : 1 
    6527  
    6528 Ignored bad PDB record found on line 8892 
    6529 REMARK MEMBER_ENERGY : 42.986016 
    6530  
    6531 Ignored bad PDB record found on line 8893 
    6532 REMARK MEMBER_SCORE : 42.986016 
    6533  
    6534 6 messages similar to the above omitted 
    6535 Duplicate atom serial number found: 4894 
    6536 Duplicate atom serial number found: 4895 
    6537 Duplicate atom serial number found: 4896 
    6538 Duplicate atom serial number found: 4897 
    6539 Duplicate atom serial number found: 4898 
    6540 27 messages similar to the above omitted 
    6541  
    6542 
    6543 > open /Users/charlottexia/Desktop/ligand2_C2Cl/files/receptor.pdb
    6544 
    6545 Summary of feedback from opening
    6546 /Users/charlottexia/Desktop/ligand2_C2Cl/files/receptor.pdb 
    6547 --- 
    6548 warnings | Ignored bad PDB record found on line 1 
    6549 REMARK NONE * 
    6550  
    6551 Ignored bad PDB record found on line 2 
    6552 REMARK DATE: 3/10/26 3:31:41 CREATED BY USER: swissdock 
    6553  
    6554 Chain information for receptor.pdb #2 
    6555 --- 
    6556 Chain | Description 
    6557 ? | No description available 
    6558  
    6559 Computing secondary structure 
    6560 
    6561 > set bgColor white
    6562 
    6563 > ui tool show ViewDock
    6564 
    6565 > open /Users/charlottexia/Desktop/ligand2_C2Cl/result.dock4.pdb format
    6566 > swissdock
    6567 
    6568 > hbonds #3.1-203 restrict #1#!2 & (main|ligand) reveal true
    6569 
    6570 245 hydrogen bonds found 
    6571 
    6572 > hide #1#3.1#!2 cartoons
    6573 
    6574 > hide #1 models
    6575 
    6576 > ui mousemode right label
    6577 
    6578 > label (#2::chain_id=' '&:253)
    6579 
    6580 > label (#2::chain_id=' '&:169)
    6581 
    6582 > label (#2::chain_id=' '&:278)
    6583 
    6584 > label (#2::chain_id=' '&:277)
    6585 
    6586 > save /Users/charlottexia/Desktop/image2.png supersample 3
    6587 
    6588 > close
    6589 
    6590 > open /Users/charlottexia/Desktop/ligand3_C8methyl/result.dock4.pdb
    6591 
    6592 Summary of feedback from opening
    6593 /Users/charlottexia/Desktop/ligand3_C8methyl/result.dock4.pdb 
    6594 --- 
    6595 warnings | Ignored bad PDB record found on line 1 
    6596 REMARK FILE_NAME : seed-1-1-1-0-0.crd 
    6597  
    6598 Ignored bad PDB record found on line 2 
    6599 REMARK CLUSTER_NUM : 0 
    6600  
    6601 Ignored bad PDB record found on line 3 
    6602 REMARK CLUSTER_MEMBER : 1 
    6603  
    6604 Ignored bad PDB record found on line 4 
    6605 REMARK MEMBER_ENERGY : 37.088000 
    6606  
    6607 Ignored bad PDB record found on line 5 
    6608 REMARK MEMBER_SCORE : 37.088000 
    6609  
    6610 17 messages similar to the above omitted 
    6611 Duplicate atom serial number found: 4894 
    6612 Duplicate atom serial number found: 4895 
    6613 Duplicate atom serial number found: 4896 
    6614 Duplicate atom serial number found: 4897 
    6615 Duplicate atom serial number found: 4898 
    6616 30 messages similar to the above omitted 
    6617 Ignored bad PDB record found on line 95 
    6618 REMARK FILE_NAME : seed-1-10-1-0-3.crd 
    6619  
    6620 Ignored bad PDB record found on line 96 
    6621 REMARK CLUSTER_NUM : 0 
    6622  
    6623 Ignored bad PDB record found on line 97 
    6624 REMARK CLUSTER_MEMBER : 3 
    6625  
    6626 Ignored bad PDB record found on line 98 
    6627 REMARK MEMBER_ENERGY : 43.593340 
    6628  
    6629 Ignored bad PDB record found on line 99 
    6630 REMARK MEMBER_SCORE : 43.593340 
    6631  
    6632 6 messages similar to the above omitted 
    6633 Duplicate atom serial number found: 4894 
    6634 Duplicate atom serial number found: 4895 
    6635 Duplicate atom serial number found: 4896 
    6636 Duplicate atom serial number found: 4897 
    6637 Duplicate atom serial number found: 4898 
    6638 30 messages similar to the above omitted 
    6639 Ignored bad PDB record found on line 142 
    6640 REMARK FILE_NAME : seed-1-3-1-0-0.crd 
    6641  
    6642 Ignored bad PDB record found on line 143 
    6643 REMARK CLUSTER_NUM : 0 
    6644  
    6645 Ignored bad PDB record found on line 144 
    6646 REMARK CLUSTER_MEMBER : 4 
    6647  
    6648 Ignored bad PDB record found on line 145 
    6649 REMARK MEMBER_ENERGY : 43.599217 
    6650  
    6651 Ignored bad PDB record found on line 146 
    6652 REMARK MEMBER_SCORE : 43.599217 
    6653  
    6654 6 messages similar to the above omitted 
    6655 Duplicate atom serial number found: 4894 
    6656 Duplicate atom serial number found: 4895 
    6657 Duplicate atom serial number found: 4896 
    6658 Duplicate atom serial number found: 4897 
    6659 Duplicate atom serial number found: 4898 
    6660 30 messages similar to the above omitted 
    6661 Ignored bad PDB record found on line 189 
    6662 REMARK FILE_NAME : seed-1-3-0-0-3.crd 
    6663  
    6664 Ignored bad PDB record found on line 190 
    6665 REMARK CLUSTER_NUM : 0 
    6666  
    6667 Ignored bad PDB record found on line 191 
    6668 REMARK CLUSTER_MEMBER : 5 
    6669  
    6670 Ignored bad PDB record found on line 192 
    6671 REMARK MEMBER_ENERGY : 43.711521 
    6672  
    6673 Ignored bad PDB record found on line 193 
    6674 REMARK MEMBER_SCORE : 43.711521 
    6675  
    6676 6 messages similar to the above omitted 
    6677 Duplicate atom serial number found: 4894 
    6678 Duplicate atom serial number found: 4895 
    6679 Duplicate atom serial number found: 4896 
    6680 Duplicate atom serial number found: 4897 
    6681 Duplicate atom serial number found: 4898 
    6682 30 messages similar to the above omitted 
    6683 Ignored bad PDB record found on line 236 
    6684 REMARK FILE_NAME : seed-1-23-0-2-1.crd 
    6685  
    6686 Ignored bad PDB record found on line 237 
    6687 REMARK CLUSTER_NUM : 0 
    6688  
    6689 Ignored bad PDB record found on line 238 
    6690 REMARK CLUSTER_MEMBER : 6 
    6691  
    6692 Ignored bad PDB record found on line 239 
    6693 REMARK MEMBER_ENERGY : 48.040508 
    6694  
    6695 Ignored bad PDB record found on line 240 
    6696 REMARK MEMBER_SCORE : 48.040508 
    6697  
    6698 6 messages similar to the above omitted 
    6699 Duplicate atom serial number found: 4894 
    6700 Duplicate atom serial number found: 4895 
    6701 Duplicate atom serial number found: 4896 
    6702 Duplicate atom serial number found: 4897 
    6703 Duplicate atom serial number found: 4898 
    6704 30 messages similar to the above omitted 
    6705 Ignored bad PDB record found on line 283 
    6706 REMARK FILE_NAME : seed-1-6-1-0-3.crd 
    6707  
    6708 Ignored bad PDB record found on line 284 
    6709 REMARK CLUSTER_NUM : 0 
    6710  
    6711 Ignored bad PDB record found on line 285 
    6712 REMARK CLUSTER_MEMBER : 7 
    6713  
    6714 Ignored bad PDB record found on line 286 
    6715 REMARK MEMBER_ENERGY : 49.670564 
    6716  
    6717 Ignored bad PDB record found on line 287 
    6718 REMARK MEMBER_SCORE : 49.670564 
    6719  
    6720 6 messages similar to the above omitted 
    6721 Duplicate atom serial number found: 4894 
    6722 Duplicate atom serial number found: 4895 
    6723 Duplicate atom serial number found: 4896 
    6724 Duplicate atom serial number found: 4897 
    6725 Duplicate atom serial number found: 4898 
    6726 30 messages similar to the above omitted 
    6727 Ignored bad PDB record found on line 330 
    6728 REMARK FILE_NAME : seed-1-5-0-0-3.crd 
    6729  
    6730 Ignored bad PDB record found on line 331 
    6731 REMARK CLUSTER_NUM : 0 
    6732  
    6733 Ignored bad PDB record found on line 332 
    6734 REMARK CLUSTER_MEMBER : 8 
    6735  
    6736 Ignored bad PDB record found on line 333 
    6737 REMARK MEMBER_ENERGY : 49.871066 
    6738  
    6739 Ignored bad PDB record found on line 334 
    6740 REMARK MEMBER_SCORE : 49.871066 
    6741  
    6742 6 messages similar to the above omitted 
    6743 Duplicate atom serial number found: 4894 
    6744 Duplicate atom serial number found: 4895 
    6745 Duplicate atom serial number found: 4896 
    6746 Duplicate atom serial number found: 4897 
    6747 Duplicate atom serial number found: 4898 
    6748 30 messages similar to the above omitted 
    6749 Ignored bad PDB record found on line 377 
    6750 REMARK FILE_NAME : seed-1-9-1-0-1.crd 
    6751  
    6752 Ignored bad PDB record found on line 378 
    6753 REMARK CLUSTER_NUM : 1 
    6754  
    6755 Ignored bad PDB record found on line 379 
    6756 REMARK CLUSTER_MEMBER : 1 
    6757  
    6758 Ignored bad PDB record found on line 380 
    6759 REMARK MEMBER_ENERGY : 39.910681 
    6760  
    6761 Ignored bad PDB record found on line 381 
    6762 REMARK MEMBER_SCORE : 39.910681 
    6763  
    6764 6 messages similar to the above omitted 
    6765 Duplicate atom serial number found: 4894 
    6766 Duplicate atom serial number found: 4895 
    6767 Duplicate atom serial number found: 4896 
    6768 Duplicate atom serial number found: 4897 
    6769 Duplicate atom serial number found: 4898 
    6770 30 messages similar to the above omitted 
    6771 Ignored bad PDB record found on line 424 
    6772 REMARK FILE_NAME : seed-1-28-1-0-1.crd 
    6773  
    6774 Ignored bad PDB record found on line 425 
    6775 REMARK CLUSTER_NUM : 1 
    6776  
    6777 Ignored bad PDB record found on line 426 
    6778 REMARK CLUSTER_MEMBER : 2 
    6779  
    6780 Ignored bad PDB record found on line 427 
    6781 REMARK MEMBER_ENERGY : 41.203423 
    6782  
    6783 Ignored bad PDB record found on line 428 
    6784 REMARK MEMBER_SCORE : 41.203423 
    6785  
    6786 6 messages similar to the above omitted 
    6787 Duplicate atom serial number found: 4894 
    6788 Duplicate atom serial number found: 4895 
    6789 Duplicate atom serial number found: 4896 
    6790 Duplicate atom serial number found: 4897 
    6791 Duplicate atom serial number found: 4898 
    6792 30 messages similar to the above omitted 
    6793 Ignored bad PDB record found on line 471 
    6794 REMARK FILE_NAME : seed-1-29-1-0-2.crd 
    6795  
    6796 Ignored bad PDB record found on line 472 
    6797 REMARK CLUSTER_NUM : 1 
    6798  
    6799 Ignored bad PDB record found on line 473 
    6800 REMARK CLUSTER_MEMBER : 3 
    6801  
    6802 Ignored bad PDB record found on line 474 
    6803 REMARK MEMBER_ENERGY : 41.209212 
    6804  
    6805 Ignored bad PDB record found on line 475 
    6806 REMARK MEMBER_SCORE : 41.209212 
    6807  
    6808 6 messages similar to the above omitted 
    6809 Duplicate atom serial number found: 4894 
    6810 Duplicate atom serial number found: 4895 
    6811 Duplicate atom serial number found: 4896 
    6812 Duplicate atom serial number found: 4897 
    6813 Duplicate atom serial number found: 4898 
    6814 30 messages similar to the above omitted 
    6815 Ignored bad PDB record found on line 518 
    6816 REMARK FILE_NAME : seed-1-12-0-0-2.crd 
    6817  
    6818 Ignored bad PDB record found on line 519 
    6819 REMARK CLUSTER_NUM : 1 
    6820  
    6821 Ignored bad PDB record found on line 520 
    6822 REMARK CLUSTER_MEMBER : 4 
    6823  
    6824 Ignored bad PDB record found on line 521 
    6825 REMARK MEMBER_ENERGY : 41.446154 
    6826  
    6827 Ignored bad PDB record found on line 522 
    6828 REMARK MEMBER_SCORE : 41.446154 
    6829  
    6830 6 messages similar to the above omitted 
    6831 Duplicate atom serial number found: 4894 
    6832 Duplicate atom serial number found: 4895 
    6833 Duplicate atom serial number found: 4896 
    6834 Duplicate atom serial number found: 4897 
    6835 Duplicate atom serial number found: 4898 
    6836 30 messages similar to the above omitted 
    6837 Ignored bad PDB record found on line 565 
    6838 REMARK FILE_NAME : seed-1-18-1-0-1.crd 
    6839  
    6840 Ignored bad PDB record found on line 566 
    6841 REMARK CLUSTER_NUM : 1 
    6842  
    6843 Ignored bad PDB record found on line 567 
    6844 REMARK CLUSTER_MEMBER : 5 
    6845  
    6846 Ignored bad PDB record found on line 568 
    6847 REMARK MEMBER_ENERGY : 41.457066 
    6848  
    6849 Ignored bad PDB record found on line 569 
    6850 REMARK MEMBER_SCORE : 41.457066 
    6851  
    6852 6 messages similar to the above omitted 
    6853 Duplicate atom serial number found: 4894 
    6854 Duplicate atom serial number found: 4895 
    6855 Duplicate atom serial number found: 4896 
    6856 Duplicate atom serial number found: 4897 
    6857 Duplicate atom serial number found: 4898 
    6858 30 messages similar to the above omitted 
    6859 Ignored bad PDB record found on line 612 
    6860 REMARK FILE_NAME : seed-1-5-0-0-2.crd 
    6861  
    6862 Ignored bad PDB record found on line 613 
    6863 REMARK CLUSTER_NUM : 1 
    6864  
    6865 Ignored bad PDB record found on line 614 
    6866 REMARK CLUSTER_MEMBER : 6 
    6867  
    6868 Ignored bad PDB record found on line 615 
    6869 REMARK MEMBER_ENERGY : 41.542982 
    6870  
    6871 Ignored bad PDB record found on line 616 
    6872 REMARK MEMBER_SCORE : 41.542982 
    6873  
    6874 6 messages similar to the above omitted 
    6875 Duplicate atom serial number found: 4894 
    6876 Duplicate atom serial number found: 4895 
    6877 Duplicate atom serial number found: 4896 
    6878 Duplicate atom serial number found: 4897 
    6879 Duplicate atom serial number found: 4898 
    6880 30 messages similar to the above omitted 
    6881 Ignored bad PDB record found on line 659 
    6882 REMARK FILE_NAME : seed-1-2-0-0-1.crd 
    6883  
    6884 Ignored bad PDB record found on line 660 
    6885 REMARK CLUSTER_NUM : 1 
    6886  
    6887 Ignored bad PDB record found on line 661 
    6888 REMARK CLUSTER_MEMBER : 7 
    6889  
    6890 Ignored bad PDB record found on line 662 
    6891 REMARK MEMBER_ENERGY : 41.746360 
    6892  
    6893 Ignored bad PDB record found on line 663 
    6894 REMARK MEMBER_SCORE : 41.746360 
    6895  
    6896 6 messages similar to the above omitted 
    6897 Duplicate atom serial number found: 4894 
    6898 Duplicate atom serial number found: 4895 
    6899 Duplicate atom serial number found: 4896 
    6900 Duplicate atom serial number found: 4897 
    6901 Duplicate atom serial number found: 4898 
    6902 30 messages similar to the above omitted 
    6903 Ignored bad PDB record found on line 706 
    6904 REMARK FILE_NAME : seed-1-18-0-0-1.crd 
    6905  
    6906 Ignored bad PDB record found on line 707 
    6907 REMARK CLUSTER_NUM : 1 
    6908  
    6909 Ignored bad PDB record found on line 708 
    6910 REMARK CLUSTER_MEMBER : 8 
    6911  
    6912 Ignored bad PDB record found on line 709 
    6913 REMARK MEMBER_ENERGY : 41.801215 
    6914  
    6915 Ignored bad PDB record found on line 710 
    6916 REMARK MEMBER_SCORE : 41.801215 
    6917  
    6918 6 messages similar to the above omitted 
    6919 Duplicate atom serial number found: 4894 
    6920 Duplicate atom serial number found: 4895 
    6921 Duplicate atom serial number found: 4896 
    6922 Duplicate atom serial number found: 4897 
    6923 Duplicate atom serial number found: 4898 
    6924 30 messages similar to the above omitted 
    6925 Ignored bad PDB record found on line 753 
    6926 REMARK FILE_NAME : seed-1-24-0-3-2.crd 
    6927  
    6928 Ignored bad PDB record found on line 754 
    6929 REMARK CLUSTER_NUM : 2 
    6930  
    6931 Ignored bad PDB record found on line 755 
    6932 REMARK CLUSTER_MEMBER : 1 
    6933  
    6934 Ignored bad PDB record found on line 756 
    6935 REMARK MEMBER_ENERGY : 40.712411 
    6936  
    6937 Ignored bad PDB record found on line 757 
    6938 REMARK MEMBER_SCORE : 40.712411 
    6939  
    6940 6 messages similar to the above omitted 
    6941 Duplicate atom serial number found: 4894 
    6942 Duplicate atom serial number found: 4895 
    6943 Duplicate atom serial number found: 4896 
    6944 Duplicate atom serial number found: 4897 
    6945 Duplicate atom serial number found: 4898 
    6946 30 messages similar to the above omitted 
    6947 Ignored bad PDB record found on line 800 
    6948 REMARK FILE_NAME : seed-1-13-0-2-2.crd 
    6949  
    6950 Ignored bad PDB record found on line 801 
    6951 REMARK CLUSTER_NUM : 2 
    6952  
    6953 Ignored bad PDB record found on line 802 
    6954 REMARK CLUSTER_MEMBER : 2 
    6955  
    6956 Ignored bad PDB record found on line 803 
    6957 REMARK MEMBER_ENERGY : 40.726356 
    6958  
    6959 Ignored bad PDB record found on line 804 
    6960 REMARK MEMBER_SCORE : 40.726356 
    6961  
    6962 6 messages similar to the above omitted 
    6963 Duplicate atom serial number found: 4894 
    6964 Duplicate atom serial number found: 4895 
    6965 Duplicate atom serial number found: 4896 
    6966 Duplicate atom serial number found: 4897 
    6967 Duplicate atom serial number found: 4898 
    6968 30 messages similar to the above omitted 
    6969 Ignored bad PDB record found on line 847 
    6970 REMARK FILE_NAME : seed-1-6-0-2-2.crd 
    6971  
    6972 Ignored bad PDB record found on line 848 
    6973 REMARK CLUSTER_NUM : 2 
    6974  
    6975 Ignored bad PDB record found on line 849 
    6976 REMARK CLUSTER_MEMBER : 3 
    6977  
    6978 Ignored bad PDB record found on line 850 
    6979 REMARK MEMBER_ENERGY : 44.209772 
    6980  
    6981 Ignored bad PDB record found on line 851 
    6982 REMARK MEMBER_SCORE : 44.209772 
    6983  
    6984 6 messages similar to the above omitted 
    6985 Duplicate atom serial number found: 4894 
    6986 Duplicate atom serial number found: 4895 
    6987 Duplicate atom serial number found: 4896 
    6988 Duplicate atom serial number found: 4897 
    6989 Duplicate atom serial number found: 4898 
    6990 30 messages similar to the above omitted 
    6991 Ignored bad PDB record found on line 894 
    6992 REMARK FILE_NAME : seed-1-16-0-2-2.crd 
    6993  
    6994 Ignored bad PDB record found on line 895 
    6995 REMARK CLUSTER_NUM : 2 
    6996  
    6997 Ignored bad PDB record found on line 896 
    6998 REMARK CLUSTER_MEMBER : 4 
    6999  
    7000 Ignored bad PDB record found on line 897 
    7001 REMARK MEMBER_ENERGY : 45.141599 
    7002  
    7003 Ignored bad PDB record found on line 898 
    7004 REMARK MEMBER_SCORE : 45.141599 
    7005  
    7006 6 messages similar to the above omitted 
    7007 Duplicate atom serial number found: 4894 
    7008 Duplicate atom serial number found: 4895 
    7009 Duplicate atom serial number found: 4896 
    7010 Duplicate atom serial number found: 4897 
    7011 Duplicate atom serial number found: 4898 
    7012 30 messages similar to the above omitted 
    7013 Ignored bad PDB record found on line 941 
    7014 REMARK FILE_NAME : seed-1-7-0-2-2.crd 
    7015  
    7016 Ignored bad PDB record found on line 942 
    7017 REMARK CLUSTER_NUM : 2 
    7018  
    7019 Ignored bad PDB record found on line 943 
    7020 REMARK CLUSTER_MEMBER : 5 
    7021  
    7022 Ignored bad PDB record found on line 944 
    7023 REMARK MEMBER_ENERGY : 45.530919 
    7024  
    7025 Ignored bad PDB record found on line 945 
    7026 REMARK MEMBER_SCORE : 45.530919 
    7027  
    7028 6 messages similar to the above omitted 
    7029 Duplicate atom serial number found: 4894 
    7030 Duplicate atom serial number found: 4895 
    7031 Duplicate atom serial number found: 4896 
    7032 Duplicate atom serial number found: 4897 
    7033 Duplicate atom serial number found: 4898 
    7034 30 messages similar to the above omitted 
    7035 Ignored bad PDB record found on line 988 
    7036 REMARK FILE_NAME : seed-1-1-0-2-2.crd 
    7037  
    7038 Ignored bad PDB record found on line 989 
    7039 REMARK CLUSTER_NUM : 2 
    7040  
    7041 Ignored bad PDB record found on line 990 
    7042 REMARK CLUSTER_MEMBER : 6 
    7043  
    7044 Ignored bad PDB record found on line 991 
    7045 REMARK MEMBER_ENERGY : 48.108476 
    7046  
    7047 Ignored bad PDB record found on line 992 
    7048 REMARK MEMBER_SCORE : 48.108476 
    7049  
    7050 6 messages similar to the above omitted 
    7051 Duplicate atom serial number found: 4894 
    7052 Duplicate atom serial number found: 4895 
    7053 Duplicate atom serial number found: 4896 
    7054 Duplicate atom serial number found: 4897 
    7055 Duplicate atom serial number found: 4898 
    7056 30 messages similar to the above omitted 
    7057 Ignored bad PDB record found on line 1035 
    7058 REMARK FILE_NAME : seed-1-17-0-2-2.crd 
    7059  
    7060 Ignored bad PDB record found on line 1036 
    7061 REMARK CLUSTER_NUM : 2 
    7062  
    7063 Ignored bad PDB record found on line 1037 
    7064 REMARK CLUSTER_MEMBER : 7 
    7065  
    7066 Ignored bad PDB record found on line 1038 
    7067 REMARK MEMBER_ENERGY : 48.128155 
    7068  
    7069 Ignored bad PDB record found on line 1039 
    7070 REMARK MEMBER_SCORE : 48.128155 
    7071  
    7072 6 messages similar to the above omitted 
    7073 Duplicate atom serial number found: 4894 
    7074 Duplicate atom serial number found: 4895 
    7075 Duplicate atom serial number found: 4896 
    7076 Duplicate atom serial number found: 4897 
    7077 Duplicate atom serial number found: 4898 
    7078 30 messages similar to the above omitted 
    7079 Ignored bad PDB record found on line 1082 
    7080 REMARK FILE_NAME : seed-1-29-0-2-2.crd 
    7081  
    7082 Ignored bad PDB record found on line 1083 
    7083 REMARK CLUSTER_NUM : 2 
    7084  
    7085 Ignored bad PDB record found on line 1084 
    7086 REMARK CLUSTER_MEMBER : 8 
    7087  
    7088 Ignored bad PDB record found on line 1085 
    7089 REMARK MEMBER_ENERGY : 48.251732 
    7090  
    7091 Ignored bad PDB record found on line 1086 
    7092 REMARK MEMBER_SCORE : 48.251732 
    7093  
    7094 6 messages similar to the above omitted 
    7095 Duplicate atom serial number found: 4894 
    7096 Duplicate atom serial number found: 4895 
    7097 Duplicate atom serial number found: 4896 
    7098 Duplicate atom serial number found: 4897 
    7099 Duplicate atom serial number found: 4898 
    7100 30 messages similar to the above omitted 
    7101 Ignored bad PDB record found on line 1129 
    7102 REMARK FILE_NAME : seed-1-10-0-0-1.crd 
    7103  
    7104 Ignored bad PDB record found on line 1130 
    7105 REMARK CLUSTER_NUM : 3 
    7106  
    7107 Ignored bad PDB record found on line 1131 
    7108 REMARK CLUSTER_MEMBER : 1 
    7109  
    7110 Ignored bad PDB record found on line 1132 
    7111 REMARK MEMBER_ENERGY : 42.179662 
    7112  
    7113 Ignored bad PDB record found on line 1133 
    7114 REMARK MEMBER_SCORE : 42.179662 
    7115  
    7116 6 messages similar to the above omitted 
    7117 Duplicate atom serial number found: 4894 
    7118 Duplicate atom serial number found: 4895 
    7119 Duplicate atom serial number found: 4896 
    7120 Duplicate atom serial number found: 4897 
    7121 Duplicate atom serial number found: 4898 
    7122 30 messages similar to the above omitted 
    7123 Ignored bad PDB record found on line 1176 
    7124 REMARK FILE_NAME : seed-1-32-0-1-1.crd 
    7125  
    7126 Ignored bad PDB record found on line 1177 
    7127 REMARK CLUSTER_NUM : 3 
    7128  
    7129 Ignored bad PDB record found on line 1178 
    7130 REMARK CLUSTER_MEMBER : 2 
    7131  
    7132 Ignored bad PDB record found on line 1179 
    7133 REMARK MEMBER_ENERGY : 47.413529 
    7134  
    7135 Ignored bad PDB record found on line 1180 
    7136 REMARK MEMBER_SCORE : 47.413529 
    7137  
    7138 6 messages similar to the above omitted 
    7139 Duplicate atom serial number found: 4894 
    7140 Duplicate atom serial number found: 4895 
    7141 Duplicate atom serial number found: 4896 
    7142 Duplicate atom serial number found: 4897 
    7143 Duplicate atom serial number found: 4898 
    7144 30 messages similar to the above omitted 
    7145 Ignored bad PDB record found on line 1223 
    7146 REMARK FILE_NAME : seed-1-29-0-1-0.crd 
    7147  
    7148 Ignored bad PDB record found on line 1224 
    7149 REMARK CLUSTER_NUM : 3 
    7150  
    7151 Ignored bad PDB record found on line 1225 
    7152 REMARK CLUSTER_MEMBER : 3 
    7153  
    7154 Ignored bad PDB record found on line 1226 
    7155 REMARK MEMBER_ENERGY : 47.803744 
    7156  
    7157 Ignored bad PDB record found on line 1227 
    7158 REMARK MEMBER_SCORE : 47.803744 
    7159  
    7160 6 messages similar to the above omitted 
    7161 Duplicate atom serial number found: 4894 
    7162 Duplicate atom serial number found: 4895 
    7163 Duplicate atom serial number found: 4896 
    7164 Duplicate atom serial number found: 4897 
    7165 Duplicate atom serial number found: 4898 
    7166 30 messages similar to the above omitted 
    7167 Ignored bad PDB record found on line 1270 
    7168 REMARK FILE_NAME : seed-1-12-0-1-1.crd 
    7169  
    7170 Ignored bad PDB record found on line 1271 
    7171 REMARK CLUSTER_NUM : 3 
    7172  
    7173 Ignored bad PDB record found on line 1272 
    7174 REMARK CLUSTER_MEMBER : 4 
    7175  
    7176 Ignored bad PDB record found on line 1273 
    7177 REMARK MEMBER_ENERGY : 49.827805 
    7178  
    7179 Ignored bad PDB record found on line 1274 
    7180 REMARK MEMBER_SCORE : 49.827805 
    7181  
    7182 6 messages similar to the above omitted 
    7183 Duplicate atom serial number found: 4894 
    7184 Duplicate atom serial number found: 4895 
    7185 Duplicate atom serial number found: 4896 
    7186 Duplicate atom serial number found: 4897 
    7187 Duplicate atom serial number found: 4898 
    7188 30 messages similar to the above omitted 
    7189 Ignored bad PDB record found on line 1317 
    7190 REMARK FILE_NAME : seed-1-33-0-1-1.crd 
    7191  
    7192 Ignored bad PDB record found on line 1318 
    7193 REMARK CLUSTER_NUM : 3 
    7194  
    7195 Ignored bad PDB record found on line 1319 
    7196 REMARK CLUSTER_MEMBER : 5 
    7197  
    7198 Ignored bad PDB record found on line 1320 
    7199 REMARK MEMBER_ENERGY : 52.181591 
    7200  
    7201 Ignored bad PDB record found on line 1321 
    7202 REMARK MEMBER_SCORE : 52.181591 
    7203  
    7204 6 messages similar to the above omitted 
    7205 Duplicate atom serial number found: 4894 
    7206 Duplicate atom serial number found: 4895 
    7207 Duplicate atom serial number found: 4896 
    7208 Duplicate atom serial number found: 4897 
    7209 Duplicate atom serial number found: 4898 
    7210 30 messages similar to the above omitted 
    7211 Ignored bad PDB record found on line 1364 
    7212 REMARK FILE_NAME : seed-1-15-1-2-3.crd 
    7213  
    7214 Ignored bad PDB record found on line 1365 
    7215 REMARK CLUSTER_NUM : 3 
    7216  
    7217 Ignored bad PDB record found on line 1366 
    7218 REMARK CLUSTER_MEMBER : 6 
    7219  
    7220 Ignored bad PDB record found on line 1367 
    7221 REMARK MEMBER_ENERGY : 58.598014 
    7222  
    7223 Ignored bad PDB record found on line 1368 
    7224 REMARK MEMBER_SCORE : 58.598014 
    7225  
    7226 6 messages similar to the above omitted 
    7227 Duplicate atom serial number found: 4894 
    7228 Duplicate atom serial number found: 4895 
    7229 Duplicate atom serial number found: 4896 
    7230 Duplicate atom serial number found: 4897 
    7231 Duplicate atom serial number found: 4898 
    7232 30 messages similar to the above omitted 
    7233 Ignored bad PDB record found on line 1411 
    7234 REMARK FILE_NAME : seed-1-15-1-2-2.crd 
    7235  
    7236 Ignored bad PDB record found on line 1412 
    7237 REMARK CLUSTER_NUM : 4 
    7238  
    7239 Ignored bad PDB record found on line 1413 
    7240 REMARK CLUSTER_MEMBER : 1 
    7241  
    7242 Ignored bad PDB record found on line 1414 
    7243 REMARK MEMBER_ENERGY : 42.187037 
    7244  
    7245 Ignored bad PDB record found on line 1415 
    7246 REMARK MEMBER_SCORE : 42.187037 
    7247  
    7248 6 messages similar to the above omitted 
    7249 Duplicate atom serial number found: 4894 
    7250 Duplicate atom serial number found: 4895 
    7251 Duplicate atom serial number found: 4896 
    7252 Duplicate atom serial number found: 4897 
    7253 Duplicate atom serial number found: 4898 
    7254 30 messages similar to the above omitted 
    7255 Ignored bad PDB record found on line 1458 
    7256 REMARK FILE_NAME : seed-1-32-0-1-3.crd 
    7257  
    7258 Ignored bad PDB record found on line 1459 
    7259 REMARK CLUSTER_NUM : 4 
    7260  
    7261 Ignored bad PDB record found on line 1460 
    7262 REMARK CLUSTER_MEMBER : 2 
    7263  
    7264 Ignored bad PDB record found on line 1461 
    7265 REMARK MEMBER_ENERGY : 42.567316 
    7266  
    7267 Ignored bad PDB record found on line 1462 
    7268 REMARK MEMBER_SCORE : 42.567316 
    7269  
    7270 6 messages similar to the above omitted 
    7271 Duplicate atom serial number found: 4894 
    7272 Duplicate atom serial number found: 4895 
    7273 Duplicate atom serial number found: 4896 
    7274 Duplicate atom serial number found: 4897 
    7275 Duplicate atom serial number found: 4898 
    7276 30 messages similar to the above omitted 
    7277 Ignored bad PDB record found on line 1505 
    7278 REMARK FILE_NAME : seed-1-24-1-2-2.crd 
    7279  
    7280 Ignored bad PDB record found on line 1506 
    7281 REMARK CLUSTER_NUM : 4 
    7282  
    7283 Ignored bad PDB record found on line 1507 
    7284 REMARK CLUSTER_MEMBER : 3 
    7285  
    7286 Ignored bad PDB record found on line 1508 
    7287 REMARK MEMBER_ENERGY : 43.410374 
    7288  
    7289 Ignored bad PDB record found on line 1509 
    7290 REMARK MEMBER_SCORE : 43.410374 
    7291  
    7292 6 messages similar to the above omitted 
    7293 Duplicate atom serial number found: 4894 
    7294 Duplicate atom serial number found: 4895 
    7295 Duplicate atom serial number found: 4896 
    7296 Duplicate atom serial number found: 4897 
    7297 Duplicate atom serial number found: 4898 
    7298 30 messages similar to the above omitted 
    7299 Ignored bad PDB record found on line 1552 
    7300 REMARK FILE_NAME : seed-1-2-1-2-2.crd 
    7301  
    7302 Ignored bad PDB record found on line 1553 
    7303 REMARK CLUSTER_NUM : 4 
    7304  
    7305 Ignored bad PDB record found on line 1554 
    7306 REMARK CLUSTER_MEMBER : 4 
    7307  
    7308 Ignored bad PDB record found on line 1555 
    7309 REMARK MEMBER_ENERGY : 43.441036 
    7310  
    7311 Ignored bad PDB record found on line 1556 
    7312 REMARK MEMBER_SCORE : 43.441036 
    7313  
    7314 6 messages similar to the above omitted 
    7315 Duplicate atom serial number found: 4894 
    7316 Duplicate atom serial number found: 4895 
    7317 Duplicate atom serial number found: 4896 
    7318 Duplicate atom serial number found: 4897 
    7319 Duplicate atom serial number found: 4898 
    7320 30 messages similar to the above omitted 
    7321 Ignored bad PDB record found on line 1599 
    7322 REMARK FILE_NAME : seed-1-19-0-1-3.crd 
    7323  
    7324 Ignored bad PDB record found on line 1600 
    7325 REMARK CLUSTER_NUM : 4 
    7326  
    7327 Ignored bad PDB record found on line 1601 
    7328 REMARK CLUSTER_MEMBER : 5 
    7329  
    7330 Ignored bad PDB record found on line 1602 
    7331 REMARK MEMBER_ENERGY : 49.740374 
    7332  
    7333 Ignored bad PDB record found on line 1603 
    7334 REMARK MEMBER_SCORE : 49.740374 
    7335  
    7336 6 messages similar to the above omitted 
    7337 Duplicate atom serial number found: 4894 
    7338 Duplicate atom serial number found: 4895 
    7339 Duplicate atom serial number found: 4896 
    7340 Duplicate atom serial number found: 4897 
    7341 Duplicate atom serial number found: 4898 
    7342 30 messages similar to the above omitted 
    7343 Ignored bad PDB record found on line 1646 
    7344 REMARK FILE_NAME : seed-1-34-0-1-3.crd 
    7345  
    7346 Ignored bad PDB record found on line 1647 
    7347 REMARK CLUSTER_NUM : 4 
    7348  
    7349 Ignored bad PDB record found on line 1648 
    7350 REMARK CLUSTER_MEMBER : 6 
    7351  
    7352 Ignored bad PDB record found on line 1649 
    7353 REMARK MEMBER_ENERGY : 50.234982 
    7354  
    7355 Ignored bad PDB record found on line 1650 
    7356 REMARK MEMBER_SCORE : 50.234982 
    7357  
    7358 6 messages similar to the above omitted 
    7359 Duplicate atom serial number found: 4894 
    7360 Duplicate atom serial number found: 4895 
    7361 Duplicate atom serial number found: 4896 
    7362 Duplicate atom serial number found: 4897 
    7363 Duplicate atom serial number found: 4898 
    7364 30 messages similar to the above omitted 
    7365 Ignored bad PDB record found on line 1693 
    7366 REMARK FILE_NAME : seed-1-28-1-2-0.crd 
    7367  
    7368 Ignored bad PDB record found on line 1694 
    7369 REMARK CLUSTER_NUM : 4 
    7370  
    7371 Ignored bad PDB record found on line 1695 
    7372 REMARK CLUSTER_MEMBER : 7 
    7373  
    7374 Ignored bad PDB record found on line 1696 
    7375 REMARK MEMBER_ENERGY : 50.349089 
    7376  
    7377 Ignored bad PDB record found on line 1697 
    7378 REMARK MEMBER_SCORE : 50.349089 
    7379  
    7380 6 messages similar to the above omitted 
    7381 Duplicate atom serial number found: 4894 
    7382 Duplicate atom serial number found: 4895 
    7383 Duplicate atom serial number found: 4896 
    7384 Duplicate atom serial number found: 4897 
    7385 Duplicate atom serial number found: 4898 
    7386 30 messages similar to the above omitted 
    7387 Ignored bad PDB record found on line 1740 
    7388 REMARK FILE_NAME : seed-1-28-0-1-3.crd 
    7389  
    7390 Ignored bad PDB record found on line 1741 
    7391 REMARK CLUSTER_NUM : 4 
    7392  
    7393 Ignored bad PDB record found on line 1742 
    7394 REMARK CLUSTER_MEMBER : 8 
    7395  
    7396 Ignored bad PDB record found on line 1743 
    7397 REMARK MEMBER_ENERGY : 50.780986 
    7398  
    7399 Ignored bad PDB record found on line 1744 
    7400 REMARK MEMBER_SCORE : 50.780986 
    7401  
    7402 6 messages similar to the above omitted 
    7403 Duplicate atom serial number found: 4894 
    7404 Duplicate atom serial number found: 4895 
    7405 Duplicate atom serial number found: 4896 
    7406 Duplicate atom serial number found: 4897 
    7407 Duplicate atom serial number found: 4898 
    7408 30 messages similar to the above omitted 
    7409 Ignored bad PDB record found on line 1787 
    7410 REMARK FILE_NAME : seed-1-11-0-0-1.crd 
    7411  
    7412 Ignored bad PDB record found on line 1788 
    7413 REMARK CLUSTER_NUM : 5 
    7414  
    7415 Ignored bad PDB record found on line 1789 
    7416 REMARK CLUSTER_MEMBER : 1 
    7417  
    7418 Ignored bad PDB record found on line 1790 
    7419 REMARK MEMBER_ENERGY : 42.757579 
    7420  
    7421 Ignored bad PDB record found on line 1791 
    7422 REMARK MEMBER_SCORE : 42.757579 
    7423  
    7424 6 messages similar to the above omitted 
    7425 Duplicate atom serial number found: 4894 
    7426 Duplicate atom serial number found: 4895 
    7427 Duplicate atom serial number found: 4896 
    7428 Duplicate atom serial number found: 4897 
    7429 Duplicate atom serial number found: 4898 
    7430 30 messages similar to the above omitted 
    7431 Ignored bad PDB record found on line 1834 
    7432 REMARK FILE_NAME : seed-1-7-1-2-2.crd 
    7433  
    7434 Ignored bad PDB record found on line 1835 
    7435 REMARK CLUSTER_NUM : 5 
    7436  
    7437 Ignored bad PDB record found on line 1836 
    7438 REMARK CLUSTER_MEMBER : 2 
    7439  
    7440 Ignored bad PDB record found on line 1837 
    7441 REMARK MEMBER_ENERGY : 42.763042 
    7442  
    7443 Ignored bad PDB record found on line 1838 
    7444 REMARK MEMBER_SCORE : 42.763042 
    7445  
    7446 6 messages similar to the above omitted 
    7447 Duplicate atom serial number found: 4894 
    7448 Duplicate atom serial number found: 4895 
    7449 Duplicate atom serial number found: 4896 
    7450 Duplicate atom serial number found: 4897 
    7451 Duplicate atom serial number found: 4898 
    7452 30 messages similar to the above omitted 
    7453 Ignored bad PDB record found on line 1881 
    7454 REMARK FILE_NAME : seed-1-35-1-2-3.crd 
    7455  
    7456 Ignored bad PDB record found on line 1882 
    7457 REMARK CLUSTER_NUM : 5 
    7458  
    7459 Ignored bad PDB record found on line 1883 
    7460 REMARK CLUSTER_MEMBER : 3 
    7461  
    7462 Ignored bad PDB record found on line 1884 
    7463 REMARK MEMBER_ENERGY : 42.971213 
    7464  
    7465 Ignored bad PDB record found on line 1885 
    7466 REMARK MEMBER_SCORE : 42.971213 
    7467  
    7468 6 messages similar to the above omitted 
    7469 Duplicate atom serial number found: 4894 
    7470 Duplicate atom serial number found: 4895 
    7471 Duplicate atom serial number found: 4896 
    7472 Duplicate atom serial number found: 4897 
    7473 Duplicate atom serial number found: 4898 
    7474 30 messages similar to the above omitted 
    7475 Ignored bad PDB record found on line 1928 
    7476 REMARK FILE_NAME : seed-1-18-1-2-3.crd 
    7477  
    7478 Ignored bad PDB record found on line 1929 
    7479 REMARK CLUSTER_NUM : 5 
    7480  
    7481 Ignored bad PDB record found on line 1930 
    7482 REMARK CLUSTER_MEMBER : 4 
    7483  
    7484 Ignored bad PDB record found on line 1931 
    7485 REMARK MEMBER_ENERGY : 44.781901 
    7486  
    7487 Ignored bad PDB record found on line 1932 
    7488 REMARK MEMBER_SCORE : 44.781901 
    7489  
    7490 6 messages similar to the above omitted 
    7491 Duplicate atom serial number found: 4894 
    7492 Duplicate atom serial number found: 4895 
    7493 Duplicate atom serial number found: 4896 
    7494 Duplicate atom serial number found: 4897 
    7495 Duplicate atom serial number found: 4898 
    7496 30 messages similar to the above omitted 
    7497 Ignored bad PDB record found on line 1975 
    7498 REMARK FILE_NAME : seed-1-4-1-2-2.crd 
    7499  
    7500 Ignored bad PDB record found on line 1976 
    7501 REMARK CLUSTER_NUM : 5 
    7502  
    7503 Ignored bad PDB record found on line 1977 
    7504 REMARK CLUSTER_MEMBER : 5 
    7505  
    7506 Ignored bad PDB record found on line 1978 
    7507 REMARK MEMBER_ENERGY : 46.149949 
    7508  
    7509 Ignored bad PDB record found on line 1979 
    7510 REMARK MEMBER_SCORE : 46.149949 
    7511  
    7512 6 messages similar to the above omitted 
    7513 Duplicate atom serial number found: 4894 
    7514 Duplicate atom serial number found: 4895 
    7515 Duplicate atom serial number found: 4896 
    7516 Duplicate atom serial number found: 4897 
    7517 Duplicate atom serial number found: 4898 
    7518 30 messages similar to the above omitted 
    7519 Ignored bad PDB record found on line 2022 
    7520 REMARK FILE_NAME : seed-1-1-1-2-3.crd 
    7521  
    7522 Ignored bad PDB record found on line 2023 
    7523 REMARK CLUSTER_NUM : 5 
    7524  
    7525 Ignored bad PDB record found on line 2024 
    7526 REMARK CLUSTER_MEMBER : 6 
    7527  
    7528 Ignored bad PDB record found on line 2025 
    7529 REMARK MEMBER_ENERGY : 46.170148 
    7530  
    7531 Ignored bad PDB record found on line 2026 
    7532 REMARK MEMBER_SCORE : 46.170148 
    7533  
    7534 6 messages similar to the above omitted 
    7535 Duplicate atom serial number found: 4894 
    7536 Duplicate atom serial number found: 4895 
    7537 Duplicate atom serial number found: 4896 
    7538 Duplicate atom serial number found: 4897 
    7539 Duplicate atom serial number found: 4898 
    7540 30 messages similar to the above omitted 
    7541 Ignored bad PDB record found on line 2069 
    7542 REMARK FILE_NAME : seed-1-11-1-2-2.crd 
    7543  
    7544 Ignored bad PDB record found on line 2070 
    7545 REMARK CLUSTER_NUM : 5 
    7546  
    7547 Ignored bad PDB record found on line 2071 
    7548 REMARK CLUSTER_MEMBER : 7 
    7549  
    7550 Ignored bad PDB record found on line 2072 
    7551 REMARK MEMBER_ENERGY : 46.181851 
    7552  
    7553 Ignored bad PDB record found on line 2073 
    7554 REMARK MEMBER_SCORE : 46.181851 
    7555  
    7556 6 messages similar to the above omitted 
    7557 Duplicate atom serial number found: 4894 
    7558 Duplicate atom serial number found: 4895 
    7559 Duplicate atom serial number found: 4896 
    7560 Duplicate atom serial number found: 4897 
    7561 Duplicate atom serial number found: 4898 
    7562 30 messages similar to the above omitted 
    7563 Ignored bad PDB record found on line 2116 
    7564 REMARK FILE_NAME : seed-1-26-1-2-3.crd 
    7565  
    7566 Ignored bad PDB record found on line 2117 
    7567 REMARK CLUSTER_NUM : 5 
    7568  
    7569 Ignored bad PDB record found on line 2118 
    7570 REMARK CLUSTER_MEMBER : 8 
    7571  
    7572 Ignored bad PDB record found on line 2119 
    7573 REMARK MEMBER_ENERGY : 50.190629 
    7574  
    7575 Ignored bad PDB record found on line 2120 
    7576 REMARK MEMBER_SCORE : 50.190629 
    7577  
    7578 6 messages similar to the above omitted 
    7579 Duplicate atom serial number found: 4894 
    7580 Duplicate atom serial number found: 4895 
    7581 Duplicate atom serial number found: 4896 
    7582 Duplicate atom serial number found: 4897 
    7583 Duplicate atom serial number found: 4898 
    7584 30 messages similar to the above omitted 
    7585 Ignored bad PDB record found on line 2163 
    7586 REMARK FILE_NAME : seed-1-31-0-0-1.crd 
    7587  
    7588 Ignored bad PDB record found on line 2164 
    7589 REMARK CLUSTER_NUM : 6 
    7590  
    7591 Ignored bad PDB record found on line 2165 
    7592 REMARK CLUSTER_MEMBER : 1 
    7593  
    7594 Ignored bad PDB record found on line 2166 
    7595 REMARK MEMBER_ENERGY : 45.517033 
    7596  
    7597 Ignored bad PDB record found on line 2167 
    7598 REMARK MEMBER_SCORE : 45.517033 
    7599  
    7600 6 messages similar to the above omitted 
    7601 Duplicate atom serial number found: 4894 
    7602 Duplicate atom serial number found: 4895 
    7603 Duplicate atom serial number found: 4896 
    7604 Duplicate atom serial number found: 4897 
    7605 Duplicate atom serial number found: 4898 
    7606 30 messages similar to the above omitted 
    7607 Ignored bad PDB record found on line 2210 
    7608 REMARK FILE_NAME : seed-1-30-1-0-1.crd 
    7609  
    7610 Ignored bad PDB record found on line 2211 
    7611 REMARK CLUSTER_NUM : 6 
    7612  
    7613 Ignored bad PDB record found on line 2212 
    7614 REMARK CLUSTER_MEMBER : 2 
    7615  
    7616 Ignored bad PDB record found on line 2213 
    7617 REMARK MEMBER_ENERGY : 47.021731 
    7618  
    7619 Ignored bad PDB record found on line 2214 
    7620 REMARK MEMBER_SCORE : 47.021731 
    7621  
    7622 6 messages similar to the above omitted 
    7623 Duplicate atom serial number found: 4894 
    7624 Duplicate atom serial number found: 4895 
    7625 Duplicate atom serial number found: 4896 
    7626 Duplicate atom serial number found: 4897 
    7627 Duplicate atom serial number found: 4898 
    7628 30 messages similar to the above omitted 
    7629 Ignored bad PDB record found on line 2257 
    7630 REMARK FILE_NAME : seed-1-36-0-0-1.crd 
    7631  
    7632 Ignored bad PDB record found on line 2258 
    7633 REMARK CLUSTER_NUM : 6 
    7634  
    7635 Ignored bad PDB record found on line 2259 
    7636 REMARK CLUSTER_MEMBER : 3 
    7637  
    7638 Ignored bad PDB record found on line 2260 
    7639 REMARK MEMBER_ENERGY : 48.513967 
    7640  
    7641 Ignored bad PDB record found on line 2261 
    7642 REMARK MEMBER_SCORE : 48.513967 
    7643  
    7644 6 messages similar to the above omitted 
    7645 Duplicate atom serial number found: 4894 
    7646 Duplicate atom serial number found: 4895 
    7647 Duplicate atom serial number found: 4896 
    7648 Duplicate atom serial number found: 4897 
    7649 Duplicate atom serial number found: 4898 
    7650 30 messages similar to the above omitted 
    7651 Ignored bad PDB record found on line 2304 
    7652 REMARK FILE_NAME : seed-1-36-1-0-1.crd 
    7653  
    7654 Ignored bad PDB record found on line 2305 
    7655 REMARK CLUSTER_NUM : 6 
    7656  
    7657 Ignored bad PDB record found on line 2306 
    7658 REMARK CLUSTER_MEMBER : 4 
    7659  
    7660 Ignored bad PDB record found on line 2307 
    7661 REMARK MEMBER_ENERGY : 50.493682 
    7662  
    7663 Ignored bad PDB record found on line 2308 
    7664 REMARK MEMBER_SCORE : 50.493682 
    7665  
    7666 6 messages similar to the above omitted 
    7667 Duplicate atom serial number found: 4894 
    7668 Duplicate atom serial number found: 4895 
    7669 Duplicate atom serial number found: 4896 
    7670 Duplicate atom serial number found: 4897 
    7671 Duplicate atom serial number found: 4898 
    7672 30 messages similar to the above omitted 
    7673 Ignored bad PDB record found on line 2351 
    7674 REMARK FILE_NAME : seed-1-30-0-0-2.crd 
    7675  
    7676 Ignored bad PDB record found on line 2352 
    7677 REMARK CLUSTER_NUM : 6 
    7678  
    7679 Ignored bad PDB record found on line 2353 
    7680 REMARK CLUSTER_MEMBER : 5 
    7681  
    7682 Ignored bad PDB record found on line 2354 
    7683 REMARK MEMBER_ENERGY : 52.047342 
    7684  
    7685 Ignored bad PDB record found on line 2355 
    7686 REMARK MEMBER_SCORE : 52.047342 
    7687  
    7688 6 messages similar to the above omitted 
    7689 Duplicate atom serial number found: 4894 
    7690 Duplicate atom serial number found: 4895 
    7691 Duplicate atom serial number found: 4896 
    7692 Duplicate atom serial number found: 4897 
    7693 Duplicate atom serial number found: 4898 
    7694 30 messages similar to the above omitted 
    7695 Ignored bad PDB record found on line 2398 
    7696 REMARK FILE_NAME : seed-1-23-0-0-3.crd 
    7697  
    7698 Ignored bad PDB record found on line 2399 
    7699 REMARK CLUSTER_NUM : 7 
    7700  
    7701 Ignored bad PDB record found on line 2400 
    7702 REMARK CLUSTER_MEMBER : 1 
    7703  
    7704 Ignored bad PDB record found on line 2401 
    7705 REMARK MEMBER_ENERGY : 46.034973 
    7706  
    7707 Ignored bad PDB record found on line 2402 
    7708 REMARK MEMBER_SCORE : 46.034973 
    7709  
    7710 6 messages similar to the above omitted 
    7711 Duplicate atom serial number found: 4894 
    7712 Duplicate atom serial number found: 4895 
    7713 Duplicate atom serial number found: 4896 
    7714 Duplicate atom serial number found: 4897 
    7715 Duplicate atom serial number found: 4898 
    7716 30 messages similar to the above omitted 
    7717 Ignored bad PDB record found on line 2445 
    7718 REMARK FILE_NAME : seed-1-22-0-0-0.crd 
    7719  
    7720 Ignored bad PDB record found on line 2446 
    7721 REMARK CLUSTER_NUM : 7 
    7722  
    7723 Ignored bad PDB record found on line 2447 
    7724 REMARK CLUSTER_MEMBER : 2 
    7725  
    7726 Ignored bad PDB record found on line 2448 
    7727 REMARK MEMBER_ENERGY : 47.858091 
    7728  
    7729 Ignored bad PDB record found on line 2449 
    7730 REMARK MEMBER_SCORE : 47.858091 
    7731  
    7732 6 messages similar to the above omitted 
    7733 Duplicate atom serial number found: 4894 
    7734 Duplicate atom serial number found: 4895 
    7735 Duplicate atom serial number found: 4896 
    7736 Duplicate atom serial number found: 4897 
    7737 Duplicate atom serial number found: 4898 
    7738 30 messages similar to the above omitted 
    7739 Ignored bad PDB record found on line 2492 
    7740 REMARK FILE_NAME : seed-1-22-0-0-3.crd 
    7741  
    7742 Ignored bad PDB record found on line 2493 
    7743 REMARK CLUSTER_NUM : 7 
    7744  
    7745 Ignored bad PDB record found on line 2494 
    7746 REMARK CLUSTER_MEMBER : 3 
    7747  
    7748 Ignored bad PDB record found on line 2495 
    7749 REMARK MEMBER_ENERGY : 49.400042 
    7750  
    7751 Ignored bad PDB record found on line 2496 
    7752 REMARK MEMBER_SCORE : 49.400042 
    7753  
    7754 6 messages similar to the above omitted 
    7755 Duplicate atom serial number found: 4894 
    7756 Duplicate atom serial number found: 4895 
    7757 Duplicate atom serial number found: 4896 
    7758 Duplicate atom serial number found: 4897 
    7759 Duplicate atom serial number found: 4898 
    7760 30 messages similar to the above omitted 
    7761 Ignored bad PDB record found on line 2539 
    7762 REMARK FILE_NAME : seed-1-20-0-3-3.crd 
    7763  
    7764 Ignored bad PDB record found on line 2540 
    7765 REMARK CLUSTER_NUM : 7 
    7766  
    7767 Ignored bad PDB record found on line 2541 
    7768 REMARK CLUSTER_MEMBER : 4 
    7769  
    7770 Ignored bad PDB record found on line 2542 
    7771 REMARK MEMBER_ENERGY : 50.336320 
    7772  
    7773 Ignored bad PDB record found on line 2543 
    7774 REMARK MEMBER_SCORE : 50.336320 
    7775  
    7776 6 messages similar to the above omitted 
    7777 Duplicate atom serial number found: 4894 
    7778 Duplicate atom serial number found: 4895 
    7779 Duplicate atom serial number found: 4896 
    7780 Duplicate atom serial number found: 4897 
    7781 Duplicate atom serial number found: 4898 
    7782 30 messages similar to the above omitted 
    7783 Ignored bad PDB record found on line 2586 
    7784 REMARK FILE_NAME : seed-1-11-0-3-0.crd 
    7785  
    7786 Ignored bad PDB record found on line 2587 
    7787 REMARK CLUSTER_NUM : 7 
    7788  
    7789 Ignored bad PDB record found on line 2588 
    7790 REMARK CLUSTER_MEMBER : 5 
    7791  
    7792 Ignored bad PDB record found on line 2589 
    7793 REMARK MEMBER_ENERGY : 50.923908 
    7794  
    7795 Ignored bad PDB record found on line 2590 
    7796 REMARK MEMBER_SCORE : 50.923908 
    7797  
    7798 6 messages similar to the above omitted 
    7799 Duplicate atom serial number found: 4894 
    7800 Duplicate atom serial number found: 4895 
    7801 Duplicate atom serial number found: 4896 
    7802 Duplicate atom serial number found: 4897 
    7803 Duplicate atom serial number found: 4898 
    7804 30 messages similar to the above omitted 
    7805 Ignored bad PDB record found on line 2633 
    7806 REMARK FILE_NAME : seed-1-10-0-3-3.crd 
     2373[deleted to fit within ticket limits]
     2374
    78072375 
    78082376Ignored bad PDB record found on line 2634