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*** withca_cutoff10_3 ***elNémo ID: 21011307532184777Job options:ID = 21011307532184777 JOBID = withca_cutoff10_3 USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 10 CAONLY = 0 Input data for this run:HEADER withca_cutoff10_3 REMARK GENERATED BY TRJCONV TITLE Protein in water t= 600000.00000 step= 300000000 REMARK THIS IS A SIMULATION BOX CRYST1 89.255 89.255 89.255 60.00 60.00 90.00 P 1 1 MODEL 1 ATOM 1 CA ALA 2 157.920 204.740 124.650 1.00 0.00 C ATOM 2 CA CYS 3 156.840 202.200 127.290 1.00 0.00 C ATOM 3 CA PRO 4 159.570 201.390 130.120 1.00 0.00 C ATOM 4 CA LEU 5 160.630 198.180 128.330 1.00 0.00 C ATOM 5 CA GLU 6 161.030 199.930 124.880 1.00 0.00 C ATOM 6 CA LYS 7 163.160 202.650 126.580 1.00 0.00 C ATOM 7 CA ALA 8 165.280 200.020 128.300 1.00 0.00 C ATOM 8 CA LEU 9 165.700 198.250 124.850 1.00 0.00 C ATOM 9 CA ASP 10 166.430 201.640 123.160 1.00 0.00 C ATOM 10 CA VAL 11 169.530 202.360 125.410 1.00 0.00 C ATOM 11 CA MET 12 170.620 198.670 125.180 1.00 0.00 C ATOM 12 CA VAL 13 170.740 198.830 121.310 1.00 0.00 C ATOM 13 CA SER 14 172.070 202.490 121.530 1.00 0.00 C ATOM 14 CA THR 15 175.150 201.180 123.470 1.00 0.00 C ATOM 15 CA PHE 16 176.620 199.080 120.560 1.00 0.00 C ATOM 16 CA HIS 17 177.820 202.010 118.520 1.00 0.00 C ATOM 17 CA LYS 18 179.200 203.720 121.840 1.00 0.00 C ATOM 18 CA TYR 19 181.890 200.940 122.080 1.00 0.00 C ATOM 19 CA SER 20 182.190 199.000 118.630 1.00 0.00 C ATOM 20 CA GLY 21 184.660 201.590 117.270 1.00 0.00 C ATOM 21 CA LYS 22 187.010 201.550 120.280 1.00 0.00 C ATOM 22 CA GLU 23 189.480 198.920 118.820 1.00 0.00 C ATOM 23 CA GLY 24 188.610 199.870 115.240 1.00 0.00 C ATOM 24 CA ASP 25 185.880 198.830 112.780 1.00 0.00 C ATOM 25 CA LYS 26 182.860 200.620 114.230 1.00 0.00 C ATOM 26 CA PHE 27 180.310 198.480 112.450 1.00 0.00 C ATOM 27 CA LYS 28 181.080 195.320 114.710 1.00 0.00 C ATOM 28 CA LEU 29 181.820 194.850 118.550 1.00 0.00 C ATOM 29 CA ASN 30 184.840 192.670 119.560 1.00 0.00 C ATOM 30 CA LYS 31 185.740 190.790 122.830 1.00 0.00 C ATOM 31 CA SER 32 188.210 193.690 124.000 1.00 0.00 C ATOM 32 CA GLU 33 185.640 196.380 123.400 1.00 0.00 C ATOM 33 CA LEU 34 182.990 194.130 124.900 1.00 0.00 C ATOM 34 CA LYS 35 185.350 193.790 128.080 1.00 0.00 C ATOM 35 CA GLU 36 185.620 197.610 128.160 1.00 0.00 C ATOM 36 CA LEU 37 181.780 198.060 128.120 1.00 0.00 C ATOM 37 CA LEU 38 181.330 195.300 130.900 1.00 0.00 C ATOM 38 CA THR 39 183.700 197.230 133.140 1.00 0.00 C ATOM 39 CA ARG 40 182.210 200.680 132.380 1.00 0.00 C ATOM 40 CA GLU 41 178.630 200.490 131.370 1.00 0.00 C ATOM 41 CA LEU 42 177.880 197.830 133.950 1.00 0.00 C ATOM 42 CA PRO 43 180.270 198.710 136.910 1.00 0.00 C ATOM 43 CA SER 44 178.240 196.150 138.950 1.00 0.00 C ATOM 44 CA PHE 45 179.750 193.360 136.780 1.00 0.00 C ATOM 45 CA LEU 46 183.460 193.490 135.770 1.00 0.00 C ATOM 46 CA GLY 47 183.860 196.740 137.940 1.00 0.00 C ATOM 47 CA LYS 48 183.070 194.640 141.140 1.00 0.00 C ATOM 48 CA ARG 49 183.560 190.870 140.130 1.00 0.00 C ATOM 49 CA THR 50 187.200 189.410 139.960 1.00 0.00 C ATOM 50 CA ASP 51 186.680 186.860 137.120 1.00 0.00 C ATOM 51 CA GLU 52 185.940 187.520 133.440 1.00 0.00 C ATOM 52 CA ALA 53 185.390 184.180 131.550 1.00 0.00 C ATOM 53 CA ALA 54 181.600 183.970 131.970 1.00 0.00 C ATOM 54 CA PHE 55 180.920 186.770 129.510 1.00 0.00 C ATOM 55 CA GLN 56 183.430 185.170 127.170 1.00 0.00 C ATOM 56 CA LYS 57 181.910 181.660 127.410 1.00 0.00 C ATOM 57 CA LEU 58 178.670 183.480 126.600 1.00 0.00 C ATOM 58 CA MET 59 180.380 184.910 123.460 1.00 0.00 C ATOM 59 CA SER 60 181.670 181.480 122.210 1.00 0.00 C ATOM 60 CA ASN 61 178.150 179.960 122.880 1.00 0.00 C ATOM 61 CA LEU 62 177.040 181.970 119.850 1.00 0.00 C ATOM 62 CA ASP 63 179.210 180.310 117.130 1.00 0.00 C ATOM 63 CA SER 64 180.220 177.000 115.600 1.00 0.00 C ATOM 64 CA ASN 65 182.840 179.230 113.800 1.00 0.00 C ATOM 65 CA ARG 66 184.140 181.470 116.780 1.00 0.00 C ATOM 66 CA ASP 67 185.400 184.930 115.690 1.00 0.00 C ATOM 67 CA ASN 68 185.600 186.640 119.180 1.00 0.00 C ATOM 68 CA GLU 69 183.160 189.180 117.550 1.00 0.00 C ATOM 69 CA VAL 70 179.520 190.250 117.370 1.00 0.00 C ATOM 70 CA ASP 71 177.340 191.900 114.780 1.00 0.00 C ATOM 71 CA PHE 72 174.390 194.240 115.810 1.00 0.00 C ATOM 72 CA GLN 73 171.790 191.260 116.120 1.00 0.00 C ATOM 73 CA GLU 74 174.090 188.640 117.810 1.00 0.00 C ATOM 74 CA TYR 75 174.770 191.350 120.470 1.00 0.00 C ATOM 75 CA CYS 76 171.050 191.560 121.010 1.00 0.00 C ATOM 76 CA VAL 77 171.190 187.850 121.870 1.00 0.00 C ATOM 77 CA PHE 78 174.420 188.450 123.960 1.00 0.00 C ATOM 78 CA LEU 79 172.730 191.260 125.960 1.00 0.00 C ATOM 79 CA SER 80 169.670 189.130 126.590 1.00 0.00 C ATOM 80 CA CYS 81 172.110 186.470 127.880 1.00 0.00 C ATOM 81 CA ILE 82 173.760 189.190 130.160 1.00 0.00 C ATOM 82 CA ALA 83 170.290 190.160 131.540 1.00 0.00 C ATOM 83 CA MET 84 170.120 186.410 132.880 1.00 0.00 C ATOM 84 CA MET 85 173.330 187.180 134.860 1.00 0.00 C ATOM 85 CA CYS 86 172.370 190.730 136.050 1.00 0.00 C ATOM 86 CA ASN 87 170.120 189.370 138.830 1.00 0.00 C ATOM 87 CA GLU 88 171.860 185.940 139.400 1.00 0.00 C ATOM 88 CA PHE 89 175.580 186.470 138.910 1.00 0.00 C ATOM 89 CA PHE 90 176.380 190.100 139.470 1.00 0.00 C ATOM 90 CA GLU 91 174.980 193.010 141.800 1.00 0.00 C ATOM 91 CA GLY 92 172.950 194.700 138.970 1.00 0.00 C ATOM 92 CA PHE 93 171.190 197.320 141.120 1.00 0.00 C ATOM 93 CA PRO 94 169.400 200.450 139.630 1.00 0.00 C ATOM 94 CA ALA 2 173.480 203.230 139.710 1.00 0.00 C ATOM 95 CA CYS 3 173.810 203.750 135.910 1.00 0.00 C ATOM 96 CA PRO 4 171.550 203.810 132.840 1.00 0.00 C ATOM 97 CA LEU 5 172.160 200.290 131.550 1.00 0.00 C ATOM 98 CA GLU 6 172.090 198.790 135.110 1.00 0.00 C ATOM 99 CA LYS 7 168.550 200.390 135.620 1.00 0.00 C ATOM 100 CA ALA 8 167.400 199.220 132.170 1.00 0.00 C ATOM 101 CA LEU 9 168.690 195.630 132.550 1.00 0.00 C ATOM 102 CA ASP 10 166.730 195.660 135.810 1.00 0.00 C ATOM 103 CA VAL 11 163.440 196.450 133.800 1.00 0.00 C ATOM 104 CA MET 12 164.450 194.070 130.970 1.00 0.00 C ATOM 105 CA VAL 13 164.570 191.330 133.660 1.00 0.00 C ATOM 106 CA SER 14 161.480 192.680 135.680 1.00 0.00 C ATOM 107 CA THR 15 159.400 192.290 132.540 1.00 0.00 C ATOM 108 CA PHE 16 159.550 188.510 133.580 1.00 0.00 C ATOM 109 CA HIS 17 157.820 189.430 136.990 1.00 0.00 C ATOM 110 CA LYS 18 155.340 191.800 135.360 1.00 0.00 C ATOM 111 CA TYR 19 153.490 188.730 133.990 1.00 0.00 C ATOM 112 CA SER 20 154.960 185.370 135.370 1.00 0.00 C ATOM 113 CA GLY 21 152.720 185.820 138.570 1.00 0.00 C ATOM 114 CA LYS 22 149.400 186.640 136.510 1.00 0.00 C ATOM 115 CA GLU 23 147.890 183.130 136.600 1.00 0.00 C ATOM 116 CA GLY 24 149.710 182.370 139.940 1.00 0.00 C ATOM 117 CA ASP 25 153.150 180.750 140.270 1.00 0.00 C ATOM 118 CA LYS 26 155.420 183.900 139.960 1.00 0.00 C ATOM 119 CA PHE 27 158.450 181.670 139.260 1.00 0.00 C ATOM 120 CA LYS 28 157.320 180.620 135.670 1.00 0.00 C ATOM 121 CA LEU 29 155.740 182.570 132.740 1.00 0.00 C ATOM 122 CA ASN 30 153.040 180.570 131.050 1.00 0.00 C ATOM 123 CA LYS 31 151.840 180.700 127.490 1.00 0.00 C ATOM 124 CA SER 32 148.680 182.640 128.490 1.00 0.00 C ATOM 125 CA GLU 33 150.640 185.100 130.700 1.00 0.00 C ATOM 126 CA LEU 34 153.130 185.570 127.810 1.00 0.00 C ATOM 127 CA LYS 35 150.160 186.220 125.550 1.00 0.00 C ATOM 128 CA GLU 36 149.030 188.970 128.170 1.00 0.00 C ATOM 129 CA LEU 37 152.500 190.460 127.930 1.00 0.00 C ATOM 130 CA LEU 38 152.110 190.260 124.040 1.00 0.00 C ATOM 131 CA THR 39 148.830 192.220 124.450 1.00 0.00 C ATOM 132 CA ARG 40 149.440 194.810 127.300 1.00 0.00 C ATOM 133 CA GLU 41 153.150 195.580 126.970 1.00 0.00 C ATOM 134 CA LEU 42 154.010 194.790 123.280 1.00 0.00 C ATOM 135 CA PRO 43 150.660 194.620 121.220 1.00 0.00 C ATOM 136 CA SER 44 152.410 195.150 117.710 1.00 0.00 C ATOM 137 CA PHE 45 154.430 191.900 117.690 1.00 0.00 C ATOM 138 CA LEU 46 151.700 189.230 117.240 1.00 0.00 C ATOM 139 CA GLY 47 150.490 189.680 113.590 1.00 0.00 C ATOM 140 CA LYS 48 153.740 191.700 112.880 1.00 0.00 C ATOM 141 CA ARG 49 156.560 189.190 113.820 1.00 0.00 C ATOM 142 CA THR 50 154.710 185.900 114.660 1.00 0.00 C ATOM 143 CA ASP 51 151.170 184.920 113.720 1.00 0.00 C ATOM 144 CA GLU 52 148.670 183.660 116.290 1.00 0.00 C ATOM 145 CA ALA 53 148.420 180.500 114.090 1.00 0.00 C ATOM 146 CA ALA 54 152.150 179.980 114.880 1.00 0.00 C ATOM 147 CA PHE 55 151.930 180.870 118.730 1.00 0.00 C ATOM 148 CA GLN 56 152.440 177.200 119.770 1.00 0.00 C ATOM 149 CA LYS 57 155.100 176.630 117.070 1.00 0.00 C ATOM 150 CA LEU 58 156.720 179.820 118.620 1.00 0.00 C ATOM 151 CA MET 59 156.150 178.840 122.320 1.00 0.00 C ATOM 152 CA SER 60 157.380 175.180 121.830 1.00 0.00 C ATOM 153 CA ASN 61 160.790 176.810 120.650 1.00 0.00 C ATOM 154 CA LEU 62 160.730 179.400 123.480 1.00 0.00 C ATOM 155 CA ASP 63 160.470 176.560 126.100 1.00 0.00 C ATOM 156 CA SER 64 163.470 174.110 126.420 1.00 0.00 C ATOM 157 CA ASN 65 162.150 170.990 128.220 1.00 0.00 C ATOM 158 CA ARG 66 158.620 170.170 126.870 1.00 0.00 C ATOM 159 CA ASP 67 156.280 171.760 129.540 1.00 0.00 C ATOM 160 CA ASN 68 155.270 175.030 127.600 1.00 0.00 C ATOM 161 CA GLU 69 156.140 177.250 130.710 1.00 0.00 C ATOM 162 CA VAL 70 159.100 179.650 130.880 1.00 0.00 C ATOM 163 CA ASP 71 161.370 180.050 134.000 1.00 0.00 C ATOM 164 CA PHE 72 163.700 182.940 134.810 1.00 0.00 C ATOM 165 CA GLN 73 166.660 181.110 133.140 1.00 0.00 C ATOM 166 CA GLU 74 164.650 180.320 129.940 1.00 0.00 C ATOM 167 CA TYR 75 163.260 183.790 129.670 1.00 0.00 C ATOM 168 CA CYS 76 166.530 184.960 127.920 1.00 0.00 C ATOM 169 CA VAL 77 165.270 183.250 124.710 1.00 0.00 C ATOM 170 CA PHE 78 161.900 185.150 124.570 1.00 0.00 C ATOM 171 CA LEU 79 163.920 188.240 125.540 1.00 0.00 C ATOM 172 CA SER 80 166.320 187.860 122.520 1.00 0.00 C ATOM 173 CA CYS 81 163.460 187.450 120.170 1.00 0.00 C ATOM 174 CA ILE 82 162.200 190.980 121.020 1.00 0.00 C ATOM 175 CA ALA 83 165.790 192.410 121.370 1.00 0.00 C ATOM 176 CA MET 84 166.580 191.090 117.780 1.00 0.00 C ATOM 177 CA MET 85 163.320 192.960 116.830 1.00 0.00 C ATOM 178 CA CYS 86 164.630 196.280 118.190 1.00 0.00 C ATOM 179 CA ASN 87 167.810 195.700 116.090 1.00 0.00 C ATOM 180 CA GLU 88 165.560 195.470 112.870 1.00 0.00 C ATOM 181 CA PHE 89 163.810 198.660 113.930 1.00 0.00 C ATOM 182 CA PHE 90 167.050 200.590 114.170 1.00 0.00 C ATOM 183 CA GLU 91 168.530 202.760 111.300 1.00 0.00 C ATOM 184 CA GLY 92 170.890 205.300 113.010 1.00 0.00 C ATOM 185 CA PHE 93 174.400 203.650 112.260 1.00 0.00 C ATOM 186 CA PRO 94 177.620 205.750 112.630 1.00 0.00 C TER ENDMDL If you find results from this site helpful for your research, please cite one of our papers:
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