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*** ca_my_1 ***elNémo ID: 21011507555788573Job options:ID = 21011507555788573 JOBID = ca_my_1 USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 12 CAONLY = 0 Input data for this run:HEADER ca_my_1 REMARK GENERATED BY TRJCONV TITLE Protein in water t= 750000.00000 step= 375000000 REMARK THIS IS A SIMULATION BOX CRYST1 83.363 83.363 83.363 60.00 60.00 90.00 P 1 1 MODEL 1 ATOM 1 CA ALA 2 113.940 -29.250 203.800 1.00 0.00 C ATOM 2 CA CYS 3 115.690 -26.050 204.900 1.00 0.00 C ATOM 3 CA PRO 4 113.310 -23.060 205.330 1.00 0.00 C ATOM 4 CA LEU 5 113.800 -21.600 201.850 1.00 0.00 C ATOM 5 CA GLU 6 113.360 -25.130 200.230 1.00 0.00 C ATOM 6 CA LYS 7 110.010 -25.270 202.120 1.00 0.00 C ATOM 7 CA ALA 8 109.050 -21.840 200.840 1.00 0.00 C ATOM 8 CA LEU 9 109.820 -23.040 197.220 1.00 0.00 C ATOM 9 CA ASP 10 107.590 -26.040 197.800 1.00 0.00 C ATOM 10 CA VAL 11 104.930 -23.560 199.110 1.00 0.00 C ATOM 11 CA MET 12 104.970 -21.120 196.150 1.00 0.00 C ATOM 12 CA VAL 13 104.890 -24.150 193.700 1.00 0.00 C ATOM 13 CA SER 14 101.970 -25.780 195.560 1.00 0.00 C ATOM 14 CA THR 15 100.040 -22.470 195.940 1.00 0.00 C ATOM 15 CA PHE 16 99.870 -21.950 192.160 1.00 0.00 C ATOM 16 CA HIS 17 98.150 -25.520 191.500 1.00 0.00 C ATOM 17 CA LYS 18 96.020 -24.890 194.630 1.00 0.00 C ATOM 18 CA TYR 19 94.090 -22.390 192.290 1.00 0.00 C ATOM 19 CA SER 20 95.410 -22.530 188.710 1.00 0.00 C ATOM 20 CA GLY 21 92.670 -25.050 187.740 1.00 0.00 C ATOM 21 CA LYS 22 89.530 -23.660 189.560 1.00 0.00 C ATOM 22 CA GLU 23 88.790 -21.950 186.160 1.00 0.00 C ATOM 23 CA GLY 24 89.300 -23.160 182.460 1.00 0.00 C ATOM 24 CA ASP 25 92.480 -25.330 182.020 1.00 0.00 C ATOM 25 CA LYS 26 95.030 -26.120 184.820 1.00 0.00 C ATOM 26 CA PHE 27 98.180 -24.380 183.440 1.00 0.00 C ATOM 27 CA LYS 28 97.990 -20.620 184.510 1.00 0.00 C ATOM 28 CA LEU 29 96.220 -18.220 186.990 1.00 0.00 C ATOM 29 CA ASN 30 93.050 -16.500 185.580 1.00 0.00 C ATOM 30 CA LYS 31 91.940 -13.170 187.120 1.00 0.00 C ATOM 31 CA SER 32 89.460 -15.290 189.230 1.00 0.00 C ATOM 32 CA GLU 33 92.030 -17.850 190.400 1.00 0.00 C ATOM 33 CA LEU 34 94.670 -15.030 190.970 1.00 0.00 C ATOM 34 CA LYS 35 91.960 -13.320 193.220 1.00 0.00 C ATOM 35 CA GLU 36 91.420 -16.730 194.980 1.00 0.00 C ATOM 36 CA LEU 37 95.170 -16.800 195.630 1.00 0.00 C ATOM 37 CA LEU 38 95.750 -13.140 196.810 1.00 0.00 C ATOM 38 CA THR 39 92.320 -13.080 198.820 1.00 0.00 C ATOM 39 CA ARG 40 92.850 -16.510 200.630 1.00 0.00 C ATOM 40 CA GLU 41 96.680 -16.790 201.080 1.00 0.00 C ATOM 41 CA LEU 42 97.770 -13.070 200.920 1.00 0.00 C ATOM 42 CA PRO 43 94.820 -10.710 201.790 1.00 0.00 C ATOM 43 CA SER 44 96.890 -8.180 203.900 1.00 0.00 C ATOM 44 CA PHE 45 98.770 -7.160 200.730 1.00 0.00 C ATOM 45 CA LEU 46 95.440 -5.980 199.240 1.00 0.00 C ATOM 46 CA GLY 47 93.690 -4.100 202.010 1.00 0.00 C ATOM 47 CA LYS 48 90.370 -3.090 200.310 1.00 0.00 C ATOM 48 CA ARG 49 91.390 -3.750 196.690 1.00 0.00 C ATOM 49 CA THR 50 89.080 -6.740 196.600 1.00 0.00 C ATOM 50 CA ASP 51 86.600 -6.410 193.650 1.00 0.00 C ATOM 51 CA GLU 52 87.620 -8.360 190.500 1.00 0.00 C ATOM 52 CA ALA 53 88.700 -5.330 188.320 1.00 0.00 C ATOM 53 CA ALA 54 91.590 -4.790 190.740 1.00 0.00 C ATOM 54 CA PHE 55 92.820 -8.230 189.570 1.00 0.00 C ATOM 55 CA GLN 56 91.990 -7.390 186.020 1.00 0.00 C ATOM 56 CA LYS 57 94.260 -4.330 186.660 1.00 0.00 C ATOM 57 CA LEU 58 97.000 -6.780 188.080 1.00 0.00 C ATOM 58 CA MET 59 96.710 -8.890 184.890 1.00 0.00 C ATOM 59 CA SER 60 97.010 -5.960 182.540 1.00 0.00 C ATOM 60 CA ASN 61 100.150 -4.800 184.610 1.00 0.00 C ATOM 61 CA LEU 62 101.650 -8.410 184.660 1.00 0.00 C ATOM 62 CA ASP 63 101.000 -10.060 181.240 1.00 0.00 C ATOM 63 CA SER 64 103.980 -10.800 178.930 1.00 0.00 C ATOM 64 CA ASN 65 102.000 -12.290 176.070 1.00 0.00 C ATOM 65 CA ARG 66 98.410 -10.800 175.900 1.00 0.00 C ATOM 66 CA ASP 67 96.840 -14.080 177.210 1.00 0.00 C ATOM 67 CA ASN 68 95.050 -12.730 180.270 1.00 0.00 C ATOM 68 CA GLU 69 96.470 -15.500 182.790 1.00 0.00 C ATOM 69 CA VAL 70 99.570 -15.520 185.110 1.00 0.00 C ATOM 70 CA ASP 71 102.330 -17.820 183.720 1.00 0.00 C ATOM 71 CA PHE 72 104.470 -19.410 186.420 1.00 0.00 C ATOM 72 CA GLN 73 107.330 -17.180 184.670 1.00 0.00 C ATOM 73 CA GLU 74 105.290 -14.070 185.650 1.00 0.00 C ATOM 74 CA TYR 75 104.230 -15.370 189.190 1.00 0.00 C ATOM 75 CA CYS 76 107.760 -16.600 190.300 1.00 0.00 C ATOM 76 CA VAL 77 109.320 -13.120 189.510 1.00 0.00 C ATOM 77 CA PHE 78 106.080 -11.280 190.720 1.00 0.00 C ATOM 78 CA LEU 79 106.420 -12.740 194.240 1.00 0.00 C ATOM 79 CA SER 80 110.350 -12.090 194.070 1.00 0.00 C ATOM 80 CA CYS 81 109.590 -8.450 193.120 1.00 0.00 C ATOM 81 CA ILE 82 107.510 -8.260 196.320 1.00 0.00 C ATOM 82 CA ALA 83 110.480 -9.800 198.290 1.00 0.00 C ATOM 83 CA MET 84 112.450 -6.750 196.780 1.00 0.00 C ATOM 84 CA MET 85 109.740 -4.340 197.990 1.00 0.00 C ATOM 85 CA CYS 86 110.480 -6.150 201.360 1.00 0.00 C ATOM 86 CA ASN 87 114.250 -5.710 200.700 1.00 0.00 C ATOM 87 CA GLU 88 114.290 -1.840 201.030 1.00 0.00 C ATOM 88 CA PHE 89 113.800 -2.340 204.900 1.00 0.00 C ATOM 89 CA PHE 90 116.470 -5.200 205.190 1.00 0.00 C ATOM 90 CA GLU 91 120.330 -5.280 205.570 1.00 0.00 C ATOM 91 CA GLY 92 122.630 -8.080 206.900 1.00 0.00 C ATOM 92 CA PHE 93 122.150 -9.590 210.370 1.00 0.00 C ATOM 93 CA PRO 94 124.930 -11.240 212.640 1.00 0.00 C ATOM 94 CA ALA 2 97.660 -16.780 208.620 1.00 0.00 C ATOM 95 CA CYS 3 98.900 -18.630 205.560 1.00 0.00 C ATOM 96 CA PRO 4 102.520 -19.820 204.740 1.00 0.00 C ATOM 97 CA LEU 5 102.680 -17.410 201.660 1.00 0.00 C ATOM 98 CA GLU 6 102.420 -14.430 204.160 1.00 0.00 C ATOM 99 CA LYS 7 105.640 -16.170 205.710 1.00 0.00 C ATOM 100 CA ALA 8 107.460 -17.250 202.520 1.00 0.00 C ATOM 101 CA LEU 9 107.820 -13.640 201.520 1.00 0.00 C ATOM 102 CA ASP 10 109.730 -13.390 204.880 1.00 0.00 C ATOM 103 CA VAL 11 111.990 -16.470 204.220 1.00 0.00 C ATOM 104 CA MET 12 112.740 -15.080 200.710 1.00 0.00 C ATOM 105 CA VAL 13 114.130 -11.750 202.000 1.00 0.00 C ATOM 106 CA SER 14 115.650 -13.100 205.320 1.00 0.00 C ATOM 107 CA THR 15 117.800 -15.990 203.780 1.00 0.00 C ATOM 108 CA PHE 16 119.890 -13.560 201.710 1.00 0.00 C ATOM 109 CA HIS 17 120.190 -11.220 204.670 1.00 0.00 C ATOM 110 CA LYS 18 121.330 -14.040 206.820 1.00 0.00 C ATOM 111 CA TYR 19 124.640 -13.980 204.720 1.00 0.00 C ATOM 112 CA SER 20 124.840 -10.470 203.010 1.00 0.00 C ATOM 113 CA GLY 21 126.960 -9.160 205.880 1.00 0.00 C ATOM 114 CA LYS 22 129.530 -11.870 206.890 1.00 0.00 C ATOM 115 CA GLU 23 132.330 -9.860 205.270 1.00 0.00 C ATOM 116 CA GLY 24 132.800 -6.540 203.270 1.00 0.00 C ATOM 117 CA ASP 25 129.610 -4.570 202.620 1.00 0.00 C ATOM 118 CA LYS 26 126.580 -5.760 204.760 1.00 0.00 C ATOM 119 CA PHE 27 124.080 -5.800 201.740 1.00 0.00 C ATOM 120 CA LYS 28 125.560 -8.140 199.000 1.00 0.00 C ATOM 121 CA LEU 29 126.830 -11.800 198.580 1.00 0.00 C ATOM 122 CA ASN 30 130.460 -12.280 197.930 1.00 0.00 C ATOM 123 CA LYS 31 131.580 -15.770 196.450 1.00 0.00 C ATOM 124 CA SER 32 132.090 -17.000 200.060 1.00 0.00 C ATOM 125 CA GLU 33 128.700 -15.620 201.250 1.00 0.00 C ATOM 126 CA LEU 34 126.830 -17.220 198.290 1.00 0.00 C ATOM 127 CA LYS 35 128.510 -20.590 199.280 1.00 0.00 C ATOM 128 CA GLU 36 127.520 -20.150 202.940 1.00 0.00 C ATOM 129 CA LEU 37 123.950 -19.460 201.820 1.00 0.00 C ATOM 130 CA LEU 38 123.880 -22.260 199.160 1.00 0.00 C ATOM 131 CA THR 39 125.440 -24.870 201.640 1.00 0.00 C ATOM 132 CA ARG 40 123.170 -24.070 204.640 1.00 0.00 C ATOM 133 CA GLU 41 119.870 -22.820 203.090 1.00 0.00 C ATOM 134 CA LEU 42 119.580 -24.400 199.580 1.00 0.00 C ATOM 135 CA PRO 43 121.660 -27.650 199.970 1.00 0.00 C ATOM 136 CA SER 44 119.470 -30.240 198.020 1.00 0.00 C ATOM 137 CA PHE 45 120.270 -27.970 194.950 1.00 0.00 C ATOM 138 CA LEU 46 124.100 -28.590 195.000 1.00 0.00 C ATOM 139 CA GLY 47 125.430 -30.550 191.930 1.00 0.00 C ATOM 140 CA LYS 48 127.920 -33.420 191.580 1.00 0.00 C ATOM 141 CA ARG 49 130.810 -30.850 190.860 1.00 0.00 C ATOM 142 CA THR 50 132.340 -29.010 193.840 1.00 0.00 C ATOM 143 CA ASP 51 135.500 -27.430 192.370 1.00 0.00 C ATOM 144 CA GLU 52 136.220 -23.580 192.310 1.00 0.00 C ATOM 145 CA ALA 53 135.550 -23.540 188.440 1.00 0.00 C ATOM 146 CA ALA 54 132.100 -25.320 188.760 1.00 0.00 C ATOM 147 CA PHE 55 130.820 -22.370 191.000 1.00 0.00 C ATOM 148 CA GLN 56 132.360 -19.640 188.920 1.00 0.00 C ATOM 149 CA LYS 57 130.000 -20.560 185.940 1.00 0.00 C ATOM 150 CA LEU 58 127.070 -19.860 188.190 1.00 0.00 C ATOM 151 CA MET 59 128.660 -16.710 189.940 1.00 0.00 C ATOM 152 CA SER 60 129.720 -15.070 186.530 1.00 0.00 C ATOM 153 CA ASN 61 126.090 -15.230 185.320 1.00 0.00 C ATOM 154 CA LEU 62 124.750 -13.300 188.230 1.00 0.00 C ATOM 155 CA ASP 63 126.470 -9.960 187.490 1.00 0.00 C ATOM 156 CA SER 64 124.980 -6.830 185.960 1.00 0.00 C ATOM 157 CA ASN 65 127.510 -4.100 187.220 1.00 0.00 C ATOM 158 CA ARG 66 131.070 -5.590 186.940 1.00 0.00 C ATOM 159 CA ASP 67 131.900 -6.150 190.690 1.00 0.00 C ATOM 160 CA ASN 68 131.850 -10.000 191.300 1.00 0.00 C ATOM 161 CA GLU 69 129.520 -9.620 194.450 1.00 0.00 C ATOM 162 CA VAL 70 125.710 -10.590 194.160 1.00 0.00 C ATOM 163 CA ASP 71 122.930 -8.080 194.750 1.00 0.00 C ATOM 164 CA PHE 72 119.430 -8.790 196.040 1.00 0.00 C ATOM 165 CA GLN 73 118.010 -7.940 192.490 1.00 0.00 C ATOM 166 CA GLU 74 120.490 -10.410 190.750 1.00 0.00 C ATOM 167 CA TYR 75 119.700 -13.260 193.250 1.00 0.00 C ATOM 168 CA CYS 76 115.870 -12.770 192.810 1.00 0.00 C ATOM 169 CA VAL 77 116.290 -13.880 189.110 1.00 0.00 C ATOM 170 CA PHE 78 118.210 -16.970 190.290 1.00 0.00 C ATOM 171 CA LEU 79 115.550 -17.820 192.990 1.00 0.00 C ATOM 172 CA SER 80 112.810 -17.440 190.320 1.00 0.00 C ATOM 173 CA CYS 81 114.720 -19.900 188.130 1.00 0.00 C ATOM 174 CA ILE 82 114.620 -22.370 191.090 1.00 0.00 C ATOM 175 CA ALA 83 110.880 -21.800 191.380 1.00 0.00 C ATOM 176 CA MET 84 110.220 -23.060 187.740 1.00 0.00 C ATOM 177 CA MET 85 112.410 -26.170 188.470 1.00 0.00 C ATOM 178 CA CYS 86 110.230 -27.110 191.480 1.00 0.00 C ATOM 179 CA ASN 87 107.190 -26.320 189.250 1.00 0.00 C ATOM 180 CA GLU 88 108.490 -28.790 186.540 1.00 0.00 C ATOM 181 CA PHE 89 109.200 -31.400 189.320 1.00 0.00 C ATOM 182 CA PHE 90 105.480 -31.000 190.260 1.00 0.00 C ATOM 183 CA GLU 91 104.420 -31.560 186.580 1.00 0.00 C ATOM 184 CA GLY 92 106.150 -35.010 186.380 1.00 0.00 C ATOM 185 CA PHE 93 108.960 -34.120 183.840 1.00 0.00 C ATOM 186 CA PRO 94 112.840 -34.610 183.900 1.00 0.00 C ATOM 187 CA TYR 1893 100.910 -3.190 208.600 1.00 0.00 C ATOM 188 CA ARG 1894 102.310 -2.320 205.240 1.00 0.00 C ATOM 189 CA LYS 1895 105.050 0.340 205.220 1.00 0.00 C ATOM 190 CA LEU 1896 104.450 1.620 201.600 1.00 0.00 C ATOM 191 CA GLN 1897 101.230 2.620 199.640 1.00 0.00 C ATOM 192 CA ARG 1898 99.970 0.420 196.820 1.00 0.00 C ATOM 193 CA GLU 1899 102.960 -2.000 196.850 1.00 0.00 C ATOM 194 CA LEU 1900 101.600 -4.840 194.570 1.00 0.00 C ATOM 195 CA GLU 1901 101.480 -2.000 191.840 1.00 0.00 C ATOM 196 CA ASP 1902 105.280 -1.590 192.150 1.00 0.00 C ATOM 197 CA ALA 1903 105.900 -5.370 192.260 1.00 0.00 C ATOM 198 CA THR 1904 103.900 -5.870 189.110 1.00 0.00 C ATOM 199 CA GLU 1905 105.890 -3.110 187.190 1.00 0.00 C ATOM 200 CA THR 1906 109.220 -4.580 188.740 1.00 0.00 C ATOM 201 CA ALA 1907 108.460 -8.070 187.330 1.00 0.00 C ATOM 202 CA ASP 1908 109.040 -6.640 183.730 1.00 0.00 C ATOM 203 CA ALA 1909 112.600 -6.090 184.680 1.00 0.00 C ATOM 204 CA MET 1910 112.890 -10.000 185.650 1.00 0.00 C ATOM 205 CA ASN 1911 110.530 -11.800 183.240 1.00 0.00 C ATOM 206 CA ARG 1912 113.240 -11.710 180.410 1.00 0.00 C ATOM 207 CA GLU 1913 116.310 -12.150 182.750 1.00 0.00 C ATOM 208 CA VAL 1914 115.130 -15.580 184.050 1.00 0.00 C ATOM 209 CA SER 1915 115.320 -16.800 180.420 1.00 0.00 C ATOM 210 CA SER 1916 119.150 -16.310 180.360 1.00 0.00 C ATOM 211 CA LEU 1917 119.830 -18.540 183.420 1.00 0.00 C ATOM 212 CA LYS 1918 116.920 -21.160 183.620 1.00 0.00 C ATOM 213 CA ASN 1919 117.690 -23.440 180.620 1.00 0.00 C ATOM 214 CA LYS 1920 121.550 -23.390 181.480 1.00 0.00 C ATOM 215 CA LEU 1921 120.790 -24.350 185.230 1.00 0.00 C ATOM 216 CA ARG 1922 118.270 -27.120 184.020 1.00 0.00 C ATOM 217 CA ARG 1923 121.000 -28.700 181.770 1.00 0.00 C ATOM 218 CA GLY 1924 123.700 -28.830 184.540 1.00 0.00 C ATOM 219 CA ASP 1925 125.600 -25.940 182.740 1.00 0.00 C ATOM 220 CA LEU 1926 126.300 -23.990 186.100 1.00 0.00 C ATOM 221 CA PRO 1927 127.900 -26.860 187.440 1.00 0.00 C ATOM 222 CA PHE 1928 127.920 -26.340 191.300 1.00 0.00 C ATOM 223 CA VAL 1929 124.030 -26.460 191.180 1.00 0.00 C ATOM 224 CA VAL 1930 121.520 -29.330 190.110 1.00 0.00 C ATOM 225 CA PRO 1931 119.680 -30.010 186.740 1.00 0.00 C ATOM 226 CA ARG 1932 116.400 -30.790 188.630 1.00 0.00 C ATOM 227 CA ARG 1933 114.630 -30.880 192.180 1.00 0.00 C ATOM 228 CA MET 1934 116.210 -33.740 194.050 1.00 0.00 C ATOM 229 CA ALA 1935 114.590 -33.540 197.590 1.00 0.00 C TER ENDMDL If you find results from this site helpful for your research, please cite one of our 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