NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
574105 |
2mjb   |
cing | 1-original | 21 | XPLOR/CNS | dipolar coupling |
! M1-ch1 val=-38.3410 values=-38.341
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 1 and name CB)
( resid 1 and name HB#) 8.9955 0.0000 100.0000
! M1-ch2 val=8.9955 values=7.990 10.001
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 1 and name CE)
( resid 1 and name SD) -39.6983 100.0000 0.0000
! M1-ch3 val=-39.6983 values=39.655 39.415 40.025
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 1 and name CG)
( resid 1 and name HG#) 9.1000 0.0000 100.0000
! M1-ch2 val=9.1000 values=9.219 8.981
! Q2-ch1 val=11.6620 values=11.662
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 2 and name CB)
( resid 2 and name HB#) -10.6340 100.0000 0.0000
! Q2-ch2 val=-10.6340 values=-10.634
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 2 and name CG)
( resid 2 and name HG#) -4.2070 100.0000 0.0000
! Q2-ch2 val=-4.2070 values=-4.207
! I3-ch1 val=18.4240 values=18.424
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 3 and name CB)
( resid 3 and name HB) 15.5680 0.0000 0.0000
! I3-ch1 val=15.5680 values=15.568
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 3 and name CD1)
( resid 3 and name CG1) -17.5370 100.0000 0.0000
! I3-ch3 val=-17.5370 values=17.537
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 3 and name CG2)
( resid 3 and name CB) -19.4550 0.0000 0.0000
! I3-ch3 val=-19.4550 values=19.455
! F4-ch1 val=26.7330 values=26.733
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 4 and name CB)
( resid 4 and name HB#) 11.2500 0.0000 0.0000
! F4-ch2 val=11.2500 values=11.250
! V5-ch1 val=15.7480 values=15.748
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 5 and name CB)
( resid 5 and name HB) 12.6700 0.0000 0.0000
! V5-ch1 val=12.6700 values=12.670
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 5 and name CG1)
( resid 5 and name CB) -43.6800 0.0000 0.0000
! V5-ch3 val=-43.6800 values=43.680
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 5 and name CG2)
( resid 5 and name CB) 9.2710 0.0000 0.0000
! V5-ch3 val=9.2710 values=-9.271
! K6-ch1 val=2.5090 values=2.509
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 6 and name CB)
( resid 6 and name HB#) -31.7305 100.0000 0.0000
! K6-ch2 val=-31.7305 values=-30.770 -32.691
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 6 and name CD)
( resid 6 and name HD#) -17.3550 100.0000 0.0000
! K6-ch2 val=-17.3550 values=-17.355
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 6 and name CG)
( resid 6 and name HG#) -19.5085 100.0000 0.0000
! K6-ch2 val=-19.5085 values=-19.797 -19.220
! T7-ch1 val=14.9370 values=14.937
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 7 and name CB)
( resid 7 and name HB) -48.0810 0.0000 0.0000
! T7-ch1 val=-48.0810 values=-48.081
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 7 and name CG2)
( resid 7 and name CB) 17.4050 0.0000 0.0000
! T7-ch3 val=17.4050 values=-17.405
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 8 and name CB)
( resid 8 and name HB#) 29.4665 0.0000 100.0000
! L8-ch2 val=29.4665 values=29.566 29.367
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 8 and name CD1)
( resid 8 and name CG) -15.5190 100.0000 0.0000
! L8-ch3 val=-15.5190 values=15.519
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 8 and name CD2)
( resid 8 and name CG) 4.1880 0.0000 100.0000
! L8-ch3 val=4.1880 values=-4.188
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 8 and name CG)
( resid 8 and name HG) 6.0240 0.0000 100.0000
! L8-ch1 val=6.0240 values=6.024
! T9-ch1 val=3.5650 values=3.565
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 9 and name CB)
( resid 9 and name HB) 16.2220 0.0000 0.0000
! T9-ch1 val=16.2220 values=16.222
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 9 and name CG2)
( resid 9 and name CB) -33.9063 0.0000 0.0000
! T9-ch3 val=-33.9063 values=33.970 33.982 33.767
! G10-ch2 val=39.0840 values=39.170 38.998
! K11-ch1 val=1.0560 values=1.056
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 11 and name CB)
( resid 11 and name HB#) -23.8850 100.0000 0.0000
! K11-ch2 val=-23.8850 values=-22.558 -25.212
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 11 and name CD)
( resid 11 and name HD#) -18.0700 100.0000 0.0000
! K11-ch2 val=-18.0700 values=-18.070
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 11 and name CG)
( resid 11 and name HG#) -17.1395 100.0000 0.0000
! K11-ch2 val=-17.1395 values=-16.879 -17.400
! T12-ch1 val=-6.1170 values=-6.117
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 12 and name CB)
( resid 12 and name HB) -2.8050 0.0000 0.0000
! T12-ch1 val=-2.8050 values=-2.805
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 12 and name CG2)
( resid 12 and name CB) -14.7450 0.0000 0.0000
! T12-ch3 val=-14.7450 values=14.745
! I13-ch1 val=4.8300 values=4.830
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 13 and name CB)
( resid 13 and name HB) 14.5080 0.0000 100.0000
! I13-ch1 val=14.5080 values=14.508
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 13 and name CD1)
( resid 13 and name CG1) -7.1490 100.0000 0.0000
! I13-ch3 val=-7.1490 values=7.149
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 13 and name CG2)
( resid 13 and name CB) 20.9390 0.0000 100.0000
! I13-ch3 val=20.9390 values=-20.939
! T14-ch1 val=23.5740 values=23.574
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 14 and name CB)
( resid 14 and name HB) 14.6880 0.0000 100.0000
! T14-ch1 val=14.6880 values=14.688
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 14 and name CG2)
( resid 14 and name CB) -24.5850 100.0000 0.0000
! T14-ch3 val=-24.5850 values=24.585
! L15-ch1 val=23.3020 values=23.302
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 15 and name CB)
( resid 15 and name HB#) 61.5245 0.0000 100.0000
! L15-ch2 val=61.5245 values=60.793 62.256
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 15 and name CD1)
( resid 15 and name CG) -8.1360 100.0000 0.0000
! L15-ch3 val=-8.1360 values=8.136
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 15 and name CD2)
( resid 15 and name CG) 11.0130 0.0000 100.0000
! L15-ch3 val=11.0130 values=-11.013
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 15 and name CG)
( resid 15 and name HG) 49.7960 0.0000 100.0000
! L15-ch1 val=49.7960 values=49.796
! E16-ch1 val=13.2060 values=13.206
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 16 and name CB)
( resid 16 and name HB#) 12.9725 0.0000 100.0000
! E16-ch2 val=12.9725 values=12.151 13.794
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 16 and name CG)
( resid 16 and name HG#) 24.3595 0.0000 100.0000
! E16-ch2 val=24.3595 values=24.397 24.322
! V17-ch1 val=35.1920 values=35.192
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 17 and name CG1)
( resid 17 and name CB) -42.9800 0.0000 0.0000
! V17-ch3 val=-42.9800 values=42.980
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 17 and name CG2)
( resid 17 and name CB) 33.7420 0.0000 0.0000
! V17-ch3 val=33.7420 values=-33.742
! E18-ch1 val=-31.2130 values=-31.213
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 18 and name CB)
( resid 18 and name HB#) -51.3275 0.0000 0.0000
! E18-ch2 val=-51.3275 values=-50.874 -51.024 -51.469 -51.943
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 18 and name CG)
( resid 18 and name HG#) 21.6410 0.0000 100.0000
! E18-ch2 val=21.6410 values=21.525 21.757
! P19-ch1 val=15.6470 values=15.647
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 19 and name CD)
( resid 19 and name HD#) 45.1180 0.0000 100.0000
! P19-ch2 val=45.1180 values=45.792 44.444
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 19 and name CG)
( resid 19 and name HG#) -7.5320 100.0000 0.0000
! P19-ch2 val=-7.5320 values=-7.532
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 20 and name CB)
( resid 20 and name HB#) -18.8457 0.0000 0.0000
! S20-ch2 val=-18.8457 values=-18.665 -18.689 -19.183
! D21-ch1 val=57.9710 values=57.971
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 21 and name CB)
( resid 21 and name HB#) -14.1055 0.0000 0.0000
! D21-ch2 val=-14.1055 values=-13.534 -14.677
! T22-ch1 val=17.7730 values=17.773
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 22 and name CB)
( resid 22 and name HB) -31.2900 0.0000 0.0000
! T22-ch1 val=-31.2900 values=-31.290
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 22 and name CG2)
( resid 22 and name CB) 8.7770 0.0000 0.0000
! T22-ch3 val=8.7770 values=-8.777
! I23-ch1 val=0.9870 values=0.987
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 23 and name CB)
( resid 23 and name HB) 7.5380 0.0000 0.0000
! I23-ch1 val=7.5380 values=7.538
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 23 and name CD1)
( resid 23 and name CG1) 11.7780 0.0000 100.0000
! I23-ch3 val=11.7780 values=-11.778
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 23 and name CG1)
( resid 23 and name HG1#) 7.9175 0.0000 100.0000
! I23-ch2 val=7.9175 values=8.129 7.706
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 23 and name CG2)
( resid 23 and name CB) -17.7190 0.0000 0.0000
! I23-ch3 val=-17.7190 values=17.719
! E24-ch1 val=-25.1210 values=-25.121
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 24 and name CB)
( resid 24 and name HB#) -24.9720 100.0000 0.0000
! E24-ch2 val=-24.9720 values=-24.972
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 24 and name CG)
( resid 24 and name HG#) -9.0610 100.0000 0.0000
! E24-ch2 val=-9.0610 values=-9.061
! N25-ch1 val=19.7520 values=19.752
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 25 and name CB)
( resid 25 and name HB#) 15.4255 0.0000 100.0000
! N25-ch2 val=15.4255 values=15.395 15.456
! V26-ch1 val=-26.4110 values=-26.411
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 26 and name CB)
( resid 26 and name HB) -23.0820 0.0000 0.0000
! V26-ch1 val=-23.0820 values=-23.082
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 26 and name CG1)
( resid 26 and name CB) 35.5400 0.0000 0.0000
! V26-ch3 val=35.5400 values=-35.540
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 26 and name CG2)
( resid 26 and name CB) -50.2690 0.0000 0.0000
! V26-ch3 val=-50.2690 values=50.269
! K27-ch1 val=45.4920 values=45.492
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 27 and name CB)
( resid 27 and name HB#) 1.1020 0.0000 0.0000
! K27-ch2 val=1.1020 values=1.102
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 27 and name CE)
( resid 27 and name HE#) -0.0350 100.0000 0.0000
! K27-ch2 val=-0.0350 values=-0.035
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 27 and name CG)
( resid 27 and name HG#) 26.3995 0.0000 100.0000
! K27-ch2 val=26.3995 values=26.428 26.371
! A28-ch1 val=-55.4750 values=-55.475
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 28 and name CB)
( resid 28 and name CA) 30.8390 0.0000 0.0000
! A28-ch3 val=30.8390 values=-30.839
! K29-ch1 val=36.7620 values=36.762
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 29 and name CB)
( resid 29 and name HB#) 32.9330 0.0000 0.0000
! K29-ch2 val=32.9330 values=34.813 31.053
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 29 and name CD)
( resid 29 and name HD#) 27.0755 0.0000 100.0000
! K29-ch2 val=27.0755 values=26.197 27.954
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 29 and name CE)
( resid 29 and name HE#) 9.3200 0.0000 100.0000
! K29-ch2 val=9.3200 values=9.320
! I30-ch1 val=-4.6110 values=-4.611
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 30 and name CB)
( resid 30 and name HB) 6.7150 0.0000 0.0000
! I30-ch1 val=6.7150 values=6.715
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 30 and name CD1)
( resid 30 and name CG1) 17.1250 0.0000 100.0000
! I30-ch3 val=17.1250 values=-17.125
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 30 and name CG1)
( resid 30 and name HG1#) 1.4610 0.0000 100.0000
! I30-ch2 val=1.4610 values=3.554 -0.632
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 30 and name CG2)
( resid 30 and name CB) -8.8730 0.0000 0.0000
! I30-ch3 val=-8.8730 values=8.873
! Q31-ch1 val=-12.9290 values=-12.929
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 31 and name CB)
( resid 31 and name HB#) -10.8715 0.0000 0.0000
! Q31-ch2 val=-10.8715 values=-10.865 -10.878
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 31 and name CG)
( resid 31 and name HG#) -8.6350 100.0000 0.0000
! Q31-ch2 val=-8.6350 values=-8.424 -8.846
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 32 and name CB)
( resid 32 and name HB#) 26.5700 0.0000 100.0000
! D32-ch2 val=26.5700 values=26.570
! K33-ch1 val=5.5590 values=5.559
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 33 and name CB)
( resid 33 and name HB#) 28.3235 0.0000 0.0000
! K33-ch2 val=28.3235 values=27.973 28.674
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 33 and name CD)
( resid 33 and name HD#) 31.9555 0.0000 100.0000
! K33-ch2 val=31.9555 values=32.065 31.846
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 33 and name CE)
( resid 33 and name HE#) 26.8950 0.0000 100.0000
! K33-ch2 val=26.8950 values=26.895
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 33 and name CG)
( resid 33 and name HG#) 37.5645 0.0000 100.0000
! K33-ch2 val=37.5645 values=37.308 37.821
! E34-ch1 val=13.4690 values=13.469
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 34 and name CB)
( resid 34 and name HB#) -23.8385 100.0000 0.0000
! E34-ch2 val=-23.8385 values=-23.255 -24.422
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 34 and name CG)
( resid 34 and name HG#) 23.2180 0.0000 100.0000
! E34-ch2 val=23.2180 values=23.218
! G35-ch2 val=46.3340 values=46.631 46.037
! I36-ch1 val=-53.2910 values=-53.291
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 36 and name CB)
( resid 36 and name HB) -46.3850 0.0000 0.0000
! I36-ch1 val=-46.3850 values=-46.385
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 36 and name CD1)
( resid 36 and name CG1) -2.0820 100.0000 0.0000
! I36-ch3 val=-2.0820 values=2.082
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 36 and name CG2)
( resid 36 and name CB) -14.5350 0.0000 0.0000
! I36-ch3 val=-14.5350 values=14.535
! P37-ch1 val=8.5960 values=8.596
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 37 and name CD)
( resid 37 and name HD#) 44.3750 0.0000 100.0000
! P37-ch2 val=44.3750 values=44.400 44.350
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 37 and name CG)
( resid 37 and name HG#) -27.0470 100.0000 0.0000
! P37-ch2 val=-27.0470 values=-27.047
! P38-ch1 val=7.3470 values=7.347
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 38 and name CD)
( resid 38 and name HD#) -11.6880 100.0000 0.0000
! P38-ch2 val=-11.6880 values=-11.688
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 38 and name CG)
( resid 38 and name HG#) 10.0195 0.0000 100.0000
! P38-ch2 val=10.0195 values=10.281 9.758
! D39-ch1 val=-3.5740 values=-3.574
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 39 and name CB)
( resid 39 and name HB#) 11.0470 0.0000 100.0000
! D39-ch2 val=11.0470 values=11.198 10.896
! Q40-ch1 val=-29.8800 values=-29.880
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 40 and name CB)
( resid 40 and name HB#) 24.2765 0.0000 0.0000
! Q40-ch2 val=24.2765 values=23.825 24.728
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 40 and name CG)
( resid 40 and name HG#) 30.0400 0.0000 100.0000
! Q40-ch2 val=30.0400 values=30.503 29.577
! Q41-ch1 val=34.5160 values=34.516
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 41 and name CG)
( resid 41 and name HG#) 19.0030 0.0000 100.0000
! Q41-ch2 val=19.0030 values=19.003
! R42-ch1 val=33.3530 values=33.353
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 42 and name CB)
( resid 42 and name HB#) 20.0820 0.0000 100.0000
! R42-ch2 val=20.0820 values=20.019 20.145
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 42 and name CD)
( resid 42 and name HD#) 10.6740 0.0000 100.0000
! R42-ch2 val=10.6740 values=10.674
! L43-ch1 val=21.3540 values=21.354
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 43 and name CB)
( resid 43 and name HB#) -14.1410 0.0000 0.0000
! L43-ch2 val=-14.1410 values=-14.428 -13.854
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 43 and name CD1)
( resid 43 and name CG) 1.0600 0.0000 100.0000
! L43-ch3 val=1.0600 values=-1.060
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 43 and name CD2)
( resid 43 and name CG) 8.9550 0.0000 100.0000
! L43-ch3 val=8.9550 values=-8.955
! I44-ch1 val=11.5630 values=11.563
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 44 and name CB)
( resid 44 and name HB) 7.4620 0.0000 100.0000
! I44-ch1 val=7.4620 values=7.462
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 44 and name CD1)
( resid 44 and name CG1) -15.0920 100.0000 0.0000
! I44-ch3 val=-15.0920 values=15.092
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 44 and name CG1)
( resid 44 and name HG1#) 47.0570 0.0000 100.0000
! I44-ch2 val=47.0570 values=47.132 46.982
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 44 and name CG2)
( resid 44 and name CB) 27.1800 0.0000 100.0000
! I44-ch3 val=27.1800 values=-27.180
! F45-ch1 val=14.7610 values=14.761
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 45 and name CB)
( resid 45 and name HB#) 44.5977 0.0000 0.0000
! F45-ch2 val=44.5977 values=44.643 45.975 48.004 39.769
! A46-ch1 val=38.0110 values=38.011
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 46 and name CB)
( resid 46 and name CA) -39.0033 0.0000 0.0000
! A46-ch3 val=-39.0033 values=38.802 39.170 39.038
! G47-ch2 val=14.9000 values=14.754 15.046
! K48-ch1 val=-31.3550 values=-31.355
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 48 and name CB)
( resid 48 and name HB#) 8.2030 0.0000 100.0000
! K48-ch2 val=8.2030 values=8.203
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 48 and name CD)
( resid 48 and name HD#) 11.9000 0.0000 100.0000
! K48-ch2 val=11.9000 values=11.900
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 48 and name CE)
( resid 48 and name HE#) 9.1590 0.0000 100.0000
! K48-ch2 val=9.1590 values=9.159
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 48 and name CG)
( resid 48 and name HG#) 5.4770 0.0000 100.0000
! K48-ch2 val=5.4770 values=5.477
! Q49-ch1 val=6.0800 values=6.080
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 49 and name CB)
( resid 49 and name HB#) 39.3920 0.0000 100.0000
! Q49-ch2 val=39.3920 values=39.635 39.149
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 49 and name CG)
( resid 49 and name HG#) 25.8180 0.0000 100.0000
! Q49-ch2 val=25.8180 values=25.818
! L50-ch1 val=-9.5840 values=-9.584
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 50 and name CB)
( resid 50 and name HB#) 5.2245 0.0000 0.0000
! L50-ch2 val=5.2245 values=3.987 6.462
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 50 and name CD1)
( resid 50 and name CG) -5.1240 100.0000 0.0000
! L50-ch3 val=-5.1240 values=5.124
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 50 and name CD2)
( resid 50 and name CG) -13.9110 100.0000 0.0000
! L50-ch3 val=-13.9110 values=13.911
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 50 and name CG)
( resid 50 and name HG) -5.1980 100.0000 0.0000
! L50-ch1 val=-5.1980 values=-5.198
! E51-ch1 val=-51.5840 values=-51.584
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 51 and name CB)
( resid 51 and name HB#) -19.5835 0.0000 0.0000
! E51-ch2 val=-19.5835 values=-19.915 -19.252
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 51 and name CG)
( resid 51 and name HG#) 0.7300 0.0000 100.0000
! E51-ch2 val=0.7300 values=0.730
! D52-ch1 val=-12.8680 values=-12.868
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 52 and name CB)
( resid 52 and name HB#) 8.5385 0.0000 0.0000
! D52-ch2 val=8.5385 values=8.369 8.708
! G53-ch2 val=31.9180 values=31.918
! R54-ch1 val=7.4630 values=7.463
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 54 and name CD)
( resid 54 and name HD#) 0.9325 0.0000 100.0000
! R54-ch2 val=0.9325 values=-0.087 1.952
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 54 and name CG)
( resid 54 and name HG#) 0.0160 0.0000 100.0000
! R54-ch2 val=0.0160 values=0.600 -0.568
! T55-ch1 val=6.3810 values=6.381
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 55 and name CB)
( resid 55 and name HB) -17.9810 0.0000 0.0000
! T55-ch1 val=-17.9810 values=-17.981
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 55 and name CG2)
( resid 55 and name CB) 47.1040 0.0000 0.0000
! T55-ch3 val=47.1040 values=-47.104
! L56-ch1 val=-12.8750 values=-12.875
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 56 and name CB)
( resid 56 and name HB#) 23.3050 0.0000 0.0000
! L56-ch2 val=23.3050 values=23.470 23.140
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 56 and name CD1)
( resid 56 and name CG) -7.7780 100.0000 0.0000
! L56-ch3 val=-7.7780 values=7.778
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 56 and name CD2)
( resid 56 and name CG) -6.3150 100.0000 0.0000
! L56-ch3 val=-6.3150 values=6.315
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 56 and name CG)
( resid 56 and name HG) 34.2020 0.0000 100.0000
! L56-ch1 val=34.2020 values=34.202
! S57-ch1 val=18.0150 values=18.015
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 57 and name CB)
( resid 57 and name HB#) -1.3465 100.0000 0.0000
! S57-ch2 val=-1.3465 values=-1.240 -1.453
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 58 and name CB)
( resid 58 and name HB#) -17.2335 0.0000 0.0000
! D58-ch2 val=-17.2335 values=-17.450 -17.017
! Y59-ch1 val=6.6070 values=6.607
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 59 and name CB)
( resid 59 and name HB#) 65.9953 0.0000 0.0000
! Y59-ch2 val=65.9953 values=66.285 67.221 64.130 65.110 66.990 66.236
! N60-ch1 val=-11.8130 values=-11.813
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 60 and name CB)
( resid 60 and name HB#) -6.2847 100.0000 0.0000
! N60-ch2 val=-6.2847 values=-6.328 -5.654 -6.537 -6.620
! I61-ch1 val=55.0880 values=55.088
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 61 and name CB)
( resid 61 and name HB) 50.1380 0.0000 0.0000
! I61-ch1 val=50.1380 values=50.138
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 61 and name CD1)
( resid 61 and name CG1) -18.9290 100.0000 0.0000
! I61-ch3 val=-18.9290 values=18.929
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 61 and name CG1)
( resid 61 and name HG1#) 51.8505 0.0000 100.0000
! I61-ch2 val=51.8505 values=51.983 51.718
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 61 and name CG2)
( resid 61 and name CB) 7.2580 0.0000 0.0000
! I61-ch3 val=7.2580 values=-7.258
! Q62-ch1 val=35.2320 values=35.232
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 62 and name CB)
( resid 62 and name HB#) -20.1045 0.0000 0.0000
! Q62-ch2 val=-20.1045 values=-19.974 -20.235
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 62 and name CG)
( resid 62 and name HG#) -18.6033 100.0000 0.0000
! Q62-ch2 val=-18.6033 values=-18.335 -18.397 -19.078
! K63-ch1 val=9.2590 values=9.259
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 63 and name CB)
( resid 63 and name HB#) 49.0485 0.0000 0.0000
! K63-ch2 val=49.0485 values=47.978 50.119
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 63 and name CD)
( resid 63 and name HD#) 41.3515 0.0000 100.0000
! K63-ch2 val=41.3515 values=40.695 42.008
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 63 and name CE)
( resid 63 and name HE#) 19.2710 0.0000 100.0000
! K63-ch2 val=19.2710 values=19.271
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 63 and name CG)
( resid 63 and name HG#) 46.2715 0.0000 100.0000
! K63-ch2 val=46.2715 values=46.230 46.313
! E64-ch1 val=-0.6980 values=-0.698
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 64 and name CB)
( resid 64 and name HB#) 20.0455 0.0000 0.0000
! E64-ch2 val=20.0455 values=20.062 20.029
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 64 and name CG)
( resid 64 and name HG#) -8.9150 100.0000 0.0000
! E64-ch2 val=-8.9150 values=-8.752 -9.078
! S65-ch1 val=52.6300 values=52.630
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 65 and name CB)
( resid 65 and name HB#) 5.0125 0.0000 0.0000
! S65-ch2 val=5.0125 values=4.913 5.112
! T66-ch1 val=34.1840 values=34.184
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 66 and name CB)
( resid 66 and name HB) 29.2560 0.0000 0.0000
! T66-ch1 val=29.2560 values=29.256
! L67-ch1 val=21.6690 values=21.669
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 67 and name CD1)
( resid 67 and name CG) -7.1930 100.0000 0.0000
! L67-ch3 val=-7.1930 values=7.193
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 67 and name CD2)
( resid 67 and name CG) 25.1860 0.0000 100.0000
! L67-ch3 val=25.1860 values=-25.186
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 67 and name CG)
( resid 67 and name HG) -10.3030 100.0000 0.0000
! L67-ch1 val=-10.3030 values=-10.303
! H68-ch1 val=3.3730 values=3.373
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 68 and name CB)
( resid 68 and name HB#) -44.1967 0.0000 0.0000
! H68-ch2 val=-44.1967 values=-43.501 -45.223 -44.443 -43.620
! L69-ch1 val=22.0290 values=22.029
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 69 and name CB)
( resid 69 and name HB#) -20.0400 0.0000 0.0000
! L69-ch2 val=-20.0400 values=-20.040
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 69 and name CD1)
( resid 69 and name CG) 14.4860 0.0000 100.0000
! L69-ch3 val=14.4860 values=-14.486
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 69 and name CD2)
( resid 69 and name CG) 11.6200 0.0000 100.0000
! L69-ch3 val=11.6200 values=-11.620
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 69 and name CG)
( resid 69 and name HG) -30.6190 100.0000 0.0000
! L69-ch1 val=-30.6190 values=-30.619
! V70-ch1 val=23.5720 values=23.572
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 70 and name CB)
( resid 70 and name HB) -5.5000 100.0000 0.0000
! V70-ch1 val=-5.5000 values=-5.500
assign ( resid 501 and name OO)
( resid 501 and name Z)
( resid 501 and name X)
( resid 501 and name Y)
( resid 70 and name CG2)
( resid 70 and name CB) 10.9620 0.0000 100.0000
! V70-ch3 val=10.9620 values=-10.962
! squalamine RDCs
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 4 and name N)
( resid 4 and name HN) -3.070 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 5 and name N)
( resid 5 and name HN) -9.890 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 6 and name N)
( resid 6 and name HN) -17.280 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 7 and name N)
( resid 7 and name HN) -15.150 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 8 and name N)
( resid 8 and name HN) 17.230 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 9 and name N)
( resid 9 and name HN) 26.580 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 10 and name N)
( resid 10 and name HN) -4.980 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 11 and name N)
( resid 11 and name HN) -14.710 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 12 and name N)
( resid 12 and name HN) -13.010 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 13 and name N)
( resid 13 and name HN) -13.010 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 14 and name N)
( resid 14 and name HN) -11.260 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 15 and name N)
( resid 15 and name HN) 10.890 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 16 and name N)
( resid 16 and name HN) -1.480 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 17 and name N)
( resid 17 and name HN) 9.680 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 18 and name N)
( resid 18 and name HN) -13.120 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 20 and name N)
( resid 20 and name HN) -10.340 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 21 and name N)
( resid 21 and name HN) 8.200 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 22 and name N)
( resid 22 and name HN) 25.920 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 23 and name N)
( resid 23 and name HN) -17.440 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 25 and name N)
( resid 25 and name HN) -18.810 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 26 and name N)
( resid 26 and name HN) -18.050 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 27 and name N)
( resid 27 and name HN) -15.210 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 28 and name N)
( resid 28 and name HN) -19.250 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 29 and name N)
( resid 29 and name HN) -15.090 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 30 and name N)
( resid 30 and name HN) -17.550 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 31 and name N)
( resid 31 and name HN) -13.390 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 32 and name N)
( resid 32 and name HN) -19.080 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 33 and name N)
( resid 33 and name HN) -16.350 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 34 and name N)
( resid 34 and name HN) -15.090 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 35 and name N)
( resid 35 and name HN) -4.370 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 36 and name N)
( resid 36 and name HN) -17.390 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 39 and name N)
( resid 39 and name HN) 16.240 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 40 and name N)
( resid 40 and name HN) 1.590 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 41 and name N)
( resid 41 and name HN) 30.950 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 42 and name N)
( resid 42 and name HN) 2.250 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 43 and name N)
( resid 43 and name HN) 5.250 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 44 and name N)
( resid 44 and name HN) -15.800 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 45 and name N)
( resid 45 and name HN) -16.140 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 46 and name N)
( resid 46 and name HN) -15.910 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 47 and name N)
( resid 47 and name HN) -15.370 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 48 and name N)
( resid 48 and name HN) -18.710 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 49 and name N)
( resid 49 and name HN) -11.370 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 50 and name N)
( resid 50 and name HN) -14.660 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 51 and name N)
( resid 51 and name HN) -18.710 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 52 and name N)
( resid 52 and name HN) -17.660 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 54 and name N)
( resid 54 and name HN) -5.030 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 55 and name N)
( resid 55 and name HN) -16.510 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 56 and name N)
( resid 56 and name HN) 18.260 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 57 and name N)
( resid 57 and name HN) 27.230 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 58 and name N)
( resid 58 and name HN) 10.940 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 59 and name N)
( resid 59 and name HN) 5.300 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 60 and name N)
( resid 60 and name HN) 30.240 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 61 and name N)
( resid 61 and name HN) 24.940 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 62 and name N)
( resid 62 and name HN) 27.010 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 63 and name N)
( resid 63 and name HN) -14.210 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 64 and name N)
( resid 64 and name HN) 25.100 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 65 and name N)
( resid 65 and name HN) 31.110 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 66 and name N)
( resid 66 and name HN) 11.710 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 67 and name N)
( resid 67 and name HN) -3.450 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 68 and name N)
( resid 68 and name HN) -16.460 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 69 and name N)
( resid 69 and name HN) -5.520 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 70 and name N)
( resid 70 and name HN) 9.140 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 4 and name N)
( resid 3 and name C) 2.980 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 5 and name N)
( resid 4 and name C) -2.410 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 6 and name N)
( resid 5 and name C) 2.320 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 7 and name N)
( resid 6 and name C) -2.470 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 8 and name N)
( resid 7 and name C) -2.390 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 9 and name N)
( resid 8 and name C) -0.230 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 10 and name N)
( resid 9 and name C) -2.140 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 11 and name N)
( resid 10 and name C) 2.880 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 12 and name N)
( resid 11 and name C) -2.070 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 13 and name N)
( resid 12 and name C) 1.290 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 14 and name N)
( resid 13 and name C) -0.110 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 15 and name N)
( resid 14 and name C) -2.100 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 16 and name N)
( resid 15 and name C) 3.910 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 17 and name N)
( resid 16 and name C) -1.890 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 18 and name N)
( resid 17 and name C) 0.240 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 20 and name N)
( resid 19 and name C) 4.350 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 21 and name N)
( resid 20 and name C) -0.900 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 22 and name N)
( resid 21 and name C) -1.130 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 23 and name N)
( resid 22 and name C) 0.710 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 24 and name N)
( resid 23 and name C) 2.010 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 25 and name N)
( resid 24 and name C) -2.480 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 26 and name N)
( resid 25 and name C) 3.590 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 27 and name N)
( resid 26 and name C) -2.410 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 29 and name N)
( resid 28 and name C) -1.270 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 30 and name N)
( resid 29 and name C) 0.970 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 31 and name N)
( resid 30 and name C) 1.130 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 32 and name N)
( resid 31 and name C) -1.360 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 33 and name N)
( resid 32 and name C) 3.170 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 34 and name N)
( resid 33 and name C) -1.690 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 35 and name N)
( resid 34 and name C) 3.330 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 36 and name N)
( resid 35 and name C) 0.090 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 39 and name N)
( resid 38 and name C) -1.680 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 40 and name N)
( resid 39 and name C) -1.300 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 41 and name N)
( resid 40 and name C) -1.860 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 42 and name N)
( resid 41 and name C) 4.260 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 43 and name N)
( resid 42 and name C) -2.430 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 44 and name N)
( resid 43 and name C) 2.730 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 45 and name N)
( resid 44 and name C) -2.410 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 46 and name N)
( resid 45 and name C) 2.870 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 47 and name N)
( resid 46 and name C) -2.700 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 48 and name N)
( resid 47 and name C) 2.750 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 49 and name N)
( resid 48 and name C) -1.460 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 50 and name N)
( resid 49 and name C) 0.400 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 51 and name N)
( resid 50 and name C) 0.220 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 52 and name N)
( resid 51 and name C) 0.190 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 53 and name N)
( resid 52 and name C) -2.040 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 54 and name N)
( resid 53 and name C) 3.720 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 55 and name N)
( resid 54 and name C) -2.520 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 56 and name N)
( resid 55 and name C) -2.240 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 57 and name N)
( resid 56 and name C) -0.210 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 58 and name N)
( resid 57 and name C) -1.480 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 59 and name N)
( resid 58 and name C) -1.320 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 60 and name N)
( resid 59 and name C) -1.270 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 61 and name N)
( resid 60 and name C) 0.260 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 62 and name N)
( resid 61 and name C) 0.860 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 63 and name N)
( resid 62 and name C) -1.850 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 64 and name N)
( resid 63 and name C) -2.430 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 65 and name N)
( resid 64 and name C) -1.080 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 66 and name N)
( resid 65 and name C) 1.190 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 67 and name N)
( resid 66 and name C) 1.420 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 68 and name N)
( resid 67 and name C) -1.870 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 69 and name N)
( resid 68 and name C) -2.800 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 70 and name N)
( resid 69 and name C) -1.910 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 71 and name N)
( resid 70 and name C) -2.830 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 4 and name CA)
( resid 4 and name C) -3.510 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 5 and name CA)
( resid 5 and name C) 0.690 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 6 and name CA)
( resid 6 and name C) -3.590 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 7 and name CA)
( resid 7 and name C) 4.900 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 8 and name CA)
( resid 8 and name C) -1.120 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 9 and name CA)
( resid 9 and name C) -2.450 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 10 and name CA)
( resid 10 and name C) 1.030 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 11 and name CA)
( resid 11 and name C) -2.630 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 12 and name CA)
( resid 12 and name C) 5.300 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 13 and name CA)
( resid 13 and name C) -4.010 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 14 and name CA)
( resid 14 and name C) 6.440 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 15 and name CA)
( resid 15 and name C) -3.550 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 16 and name CA)
( resid 16 and name C) -0.590 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 17 and name CA)
( resid 17 and name C) -4.110 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 19 and name CA)
( resid 19 and name C) -0.320 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 20 and name CA)
( resid 20 and name C) -3.840 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 21 and name CA)
( resid 21 and name C) -1.540 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 22 and name CA)
( resid 22 and name C) 0.410 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 24 and name CA)
( resid 24 and name C) -2.410 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 25 and name CA)
( resid 25 and name C) 2.400 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 26 and name CA)
( resid 26 and name C) -3.580 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 27 and name CA)
( resid 27 and name C) 2.010 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 28 and name CA)
( resid 28 and name C) -2.910 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 29 and name CA)
( resid 29 and name C) 1.870 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 30 and name CA)
( resid 30 and name C) -2.460 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 31 and name CA)
( resid 31 and name C) -1.580 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 32 and name CA)
( resid 32 and name C) 1.470 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 33 and name CA)
( resid 33 and name C) -1.320 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 34 and name CA)
( resid 34 and name C) -2.830 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 35 and name CA)
( resid 35 and name C) -2.600 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 38 and name CA)
( resid 38 and name C) -1.570 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 39 and name CA)
( resid 39 and name C) 5.560 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 40 and name CA)
( resid 40 and name C) 0.410 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 41 and name CA)
( resid 41 and name C) -2.300 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 42 and name CA)
( resid 42 and name C) -2.290 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 43 and name CA)
( resid 43 and name C) 0.740 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 44 and name CA)
( resid 44 and name C) -3.550 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 45 and name CA)
( resid 45 and name C) 2.130 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 46 and name CA)
( resid 46 and name C) -3.260 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 47 and name CA)
( resid 47 and name C) 2.360 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 48 and name CA)
( resid 48 and name C) 2.520 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 49 and name CA)
( resid 49 and name C) 3.570 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 50 and name CA)
( resid 50 and name C) 3.280 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 51 and name CA)
( resid 51 and name C) 4.040 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 53 and name CA)
( resid 53 and name C) -3.390 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 54 and name CA)
( resid 54 and name C) -3.450 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 55 and name CA)
( resid 55 and name C) 6.190 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 56 and name CA)
( resid 56 and name C) -2.950 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 57 and name CA)
( resid 57 and name C) -1.860 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 58 and name CA)
( resid 58 and name C) 6.530 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 59 and name CA)
( resid 59 and name C) -0.810 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 60 and name CA)
( resid 60 and name C) -2.460 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 61 and name CA)
( resid 61 and name C) -3.070 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 62 and name CA)
( resid 62 and name C) -3.230 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 63 and name CA)
( resid 63 and name C) 5.030 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 64 and name CA)
( resid 64 and name C) 0.060 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 65 and name CA)
( resid 65 and name C) -4.570 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 66 and name CA)
( resid 66 and name C) -3.580 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 67 and name CA)
( resid 67 and name C) -2.760 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 68 and name CA)
( resid 68 and name C) 1.490 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 69 and name CA)
( resid 69 and name C) -1.150 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 70 and name CA)
( resid 70 and name C) 2.410 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 1 and name CA)
( resid 1 and name HA) -36.94 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 2 and name CA)
( resid 2 and name HA) 18.81 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 3 and name CA)
( resid 3 and name HA) 19.56 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 4 and name CA)
( resid 4 and name HA) 5.05 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 5 and name CA)
( resid 5 and name HA) -23.59 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 6 and name CA)
( resid 6 and name HA) -34.34 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 7 and name CA)
( resid 7 and name HA) -10.86 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 8 and name CA)
( resid 8 and name HA) 1.41 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 9 and name CA)
( resid 9 and name HA) 30.33 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 11 and name CA)
( resid 11 and name HA) -16.39 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 13 and name CA)
( resid 13 and name HA) -35.97 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 14 and name CA)
( resid 14 and name HA) -5.66 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 15 and name CA)
( resid 15 and name HA) 1.37 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 16 and name CA)
( resid 16 and name HA) 22.13 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 17 and name CA)
( resid 17 and name HA) 37.02 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 20 and name CA)
( resid 20 and name HA) -23.48 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 22 and name CA)
( resid 22 and name HA) -10.81 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 24 and name CA)
( resid 24 and name HA) -7.89 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 25 and name CA)
( resid 25 and name HA) 10.58 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 26 and name CA)
( resid 26 and name HA) -29.85 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 27 and name CA)
( resid 27 and name HA) 56.28 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 29 and name CA)
( resid 29 and name HA) 24.15 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 30 and name CA)
( resid 30 and name HA) -17.50 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 31 and name CA)
( resid 31 and name HA) 11.06 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 32 and name CA)
( resid 32 and name HA) 6.24 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 33 and name CA)
( resid 33 and name HA) -8.16 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 34 and name CA)
( resid 34 and name HA) -27.46 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 38 and name CA)
( resid 38 and name HA) 20.88 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 39 and name CA)
( resid 39 and name HA) -46.94 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 40 and name CA)
( resid 40 and name HA) -17.82 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 41 and name CA)
( resid 41 and name HA) 37.31 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 43 and name CA)
( resid 43 and name HA) -7.66 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 44 and name CA)
( resid 44 and name HA) -31.04 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 45 and name CA)
( resid 45 and name HA) -18.53 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 46 and name CA)
( resid 46 and name HA) 44.54 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 48 and name CA)
( resid 48 and name HA) -28.34 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 49 and name CA)
( resid 49 and name HA) -30.31 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 50 and name CA)
( resid 50 and name HA) -32.99 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 54 and name CA)
( resid 54 and name HA) -3.44 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 55 and name CA)
( resid 55 and name HA) -25.70 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 58 and name CA)
( resid 58 and name HA) -44.59 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 59 and name CA)
( resid 59 and name HA) -12.84 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 60 and name CA)
( resid 60 and name HA) 23.37 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 62 and name CA)
( resid 62 and name HA) 53.24 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 63 and name CA)
( resid 63 and name HA) 16.11 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 64 and name CA)
( resid 64 and name HA) -31.67 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 67 and name CA)
( resid 67 and name HA) -9.98 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 68 and name CA)
( resid 68 and name HA) -36.61 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 69 and name CA)
( resid 69 and name HA) -1.25 0.000 0.000
assign ( resid 503 and name OO)
( resid 503 and name Z)
( resid 503 and name X)
( resid 503 and name Y)
( resid 71 and name CA)
( resid 71 and name HA) 50.01 0.000 0.000
! Pf1 RDCs
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 2 and name N)
( resid 2 and name HN) -11.822 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 3 and name N)
( resid 3 and name HN) 23.110 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 4 and name N)
( resid 4 and name HN) 14.190 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 5 and name N)
( resid 5 and name HN) -1.411 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 6 and name N)
( resid 6 and name HN) -27.394 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 7 and name N)
( resid 7 and name HN) -38.140 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 8 and name N)
( resid 8 and name HN) -6.886 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 9 and name N)
( resid 9 and name HN) 27.820 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 10 and name N)
( resid 10 and name HN) -37.493 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 11 and name N)
( resid 11 and name HN) -24.271 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 12 and name N)
( resid 12 and name HN) -40.188 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 13 and name N)
( resid 13 and name HN) -8.729 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 14 and name N)
( resid 14 and name HN) -5.003 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 15 and name N)
( resid 15 and name HN) 34.450 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 16 and name N)
( resid 16 and name HN) 7.884 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 17 and name N)
( resid 17 and name HN) -1.907 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 18 and name N)
( resid 18 and name HN) -20.910 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 20 and name N)
( resid 20 and name HN) 11.630 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 21 and name N)
( resid 21 and name HN) -27.996 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 22 and name N)
( resid 22 and name HN) 55.690 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 23 and name N)
( resid 23 and name HN) -29.704 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 25 and name N)
( resid 25 and name HN) -22.992 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 26 and name N)
( resid 26 and name HN) -22.410 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 27 and name N)
( resid 27 and name HN) -43.030 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 29 and name N)
( resid 29 and name HN) -15.771 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 30 and name N)
( resid 30 and name HN) -39.078 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 31 and name N)
( resid 31 and name HN) -37.749 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 32 and name N)
( resid 32 and name HN) -28.100 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 33 and name N)
( resid 33 and name HN) -18.946 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 34 and name N)
( resid 34 and name HN) -42.283 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 35 and name N)
( resid 35 and name HN) 12.040 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 36 and name N)
( resid 36 and name HN) -15.810 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 39 and name N)
( resid 39 and name HN) 39.280 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 40 and name N)
( resid 40 and name HN) 34.960 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 41 and name N)
( resid 41 and name HN) 24.880 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 43 and name N)
( resid 43 and name HN) -42.482 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 44 and name N)
( resid 44 and name HN) -48.104 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 45 and name N)
( resid 45 and name HN) -42.536 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 46 and name N)
( resid 46 and name HN) -46.420 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 47 and name N)
( resid 47 and name HN) -27.901 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 48 and name N)
( resid 48 and name HN) -10.683 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 49 and name N)
( resid 49 and name HN) 1.339 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 50 and name N)
( resid 50 and name HN) -45.682 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 51 and name N)
( resid 51 and name HN) -8.700 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 52 and name N)
( resid 52 and name HN) 2.642 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 54 and name N)
( resid 54 and name HN) -8.325 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 55 and name N)
( resid 55 and name HN) -18.253 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 56 and name N)
( resid 56 and name HN) 50.870 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 57 and name N)
( resid 57 and name HN) 39.190 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 58 and name N)
( resid 58 and name HN) 28.590 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 59 and name N)
( resid 59 and name HN) 34.580 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 61 and name N)
( resid 61 and name HN) -6.260 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 62 and name N)
( resid 62 and name HN) 45.870 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 63 and name N)
( resid 63 and name HN) -7.334 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 64 and name N)
( resid 64 and name HN) 43.390 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 65 and name N)
( resid 65 and name HN) 22.580 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 66 and name N)
( resid 66 and name HN) 34.260 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 67 and name N)
( resid 67 and name HN) 16.660 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 68 and name N)
( resid 68 and name HN) -42.047 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 69 and name N)
( resid 69 and name HN) -51.080 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 70 and name N)
( resid 70 and name HN) -24.238 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 1 and name CA)
( resid 1 and name HA) -64.99409 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 2 and name CA)
( resid 2 and name HA) 21.27776 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 3 and name CA)
( resid 3 and name HA) 31.63489 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 4 and name CA)
( resid 4 and name HA) 49.52038 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 5 and name CA)
( resid 5 and name HA) 1.87082 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 6 and name CA)
( resid 6 and name HA) -42.7133 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 11 and name CA)
( resid 11 and name HA) -84.57008 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 13 and name CA)
( resid 13 and name HA) -48.14544 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 14 and name CA)
( resid 14 and name HA) 39.12944 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 15 and name CA)
( resid 15 and name HA) 41.0228 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 16 and name CA)
( resid 16 and name HA) 17.3558 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 17 and name CA)
( resid 17 and name HA) 38.45324 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 20 and name CA)
( resid 20 and name HA) 13.78321 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 21 and name CA)
( resid 21 and name HA) 80.14097 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 22 and name CA)
( resid 22 and name HA) 28.41167 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 24 and name CA)
( resid 24 and name HA) 16.3415 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 25 and name CA)
( resid 25 and name HA) 43.3895 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 26 and name CA)
( resid 26 and name HA) -15.95832 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 27 and name CA)
( resid 27 and name HA) -5.61246 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 28 and name CA)
( resid 28 and name HA) -28.91882 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 29 and name CA)
( resid 29 and name HA) 99.36759 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 30 and name CA)
( resid 30 and name HA) -76.24155 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 31 and name CA)
( resid 31 and name HA) 33.68603 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 32 and name CA)
( resid 32 and name HA) 25.6956 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 33 and name CA)
( resid 33 and name HA) 35.21875 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 34 and name CA)
( resid 34 and name HA) -107.36929 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 38 and name CA)
( resid 38 and name HA) -33.19015 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 39 and name CA)
( resid 39 and name HA) -52.92392 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 40 and name CA)
( resid 40 and name HA) 16.51055 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 41 and name CA)
( resid 41 and name HA) -32.85205 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 42 and name CA)
( resid 42 and name HA) -40.2339 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 44 and name CA)
( resid 44 and name HA) -108.90201 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 46 and name CA)
( resid 46 and name HA) -40.27898 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 48 and name CA)
( resid 48 and name HA) 23.64446 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 49 and name CA)
( resid 49 and name HA) -91.53494 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 50 and name CA)
( resid 50 and name HA) -34.88065 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 51 and name CA)
( resid 51 and name HA) -21.27776 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 54 and name CA)
( resid 54 and name HA) -47.13114 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 59 and name CA)
( resid 59 and name HA) 20.59029 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 60 and name CA)
( resid 60 and name HA) 71.86879 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 61 and name CA)
( resid 61 and name HA) 73.33389 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 62 and name CA)
( resid 62 and name HA) 56.31619 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 63 and name CA)
( resid 63 and name HA) 28.27643 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 64 and name CA)
( resid 64 and name HA) -14.14385 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 65 and name CA)
( resid 65 and name HA) 78.439 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 66 and name CA)
( resid 66 and name HA) 64.31789 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 67 and name CA)
( resid 67 and name HA) 25.52655 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 68 and name CA)
( resid 68 and name HA) -92.06463 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 69 and name CA)
( resid 69 and name HA) -84.91945 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 70 and name CA)
( resid 70 and name HA) -76.0725 0.000 0.000
assign ( resid 502 and name OO)
( resid 502 and name Z)
( resid 502 and name X)
( resid 502 and name Y)
( resid 71 and name CA)
( resid 71 and name HA) 49.85848 0.000 0.000
! 3JNC' couplings within the HBDB file
Contact the webmaster for help, if required. Saturday, June 8, 2024 2:14:07 PM GMT (wattos1)