***  my_3  ***
Job options:
ID = 21011507593397909
JOBID = my_3
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 my_3
REMARK GENERATED BY TRJCONV
TITLE Protein in water t= 700000.00000 step= 350000000
REMARK THIS IS A SIMULATION BOX
CRYST1 83.503 83.503 83.503 60.00 60.00 90.00 P 1 1
MODEL 1
ATOM 1 CA ALA 2 140.770 123.800-122.330 1.00 0.00 C
ATOM 2 CA CYS 3 138.780 126.880-123.240 1.00 0.00 C
ATOM 3 CA PRO 4 139.960 130.420-124.380 1.00 0.00 C
ATOM 4 CA LEU 5 139.350 131.860-120.790 1.00 0.00 C
ATOM 5 CA GLU 6 141.740 129.110-119.390 1.00 0.00 C
ATOM 6 CA LYS 7 144.130 129.910-122.230 1.00 0.00 C
ATOM 7 CA ALA 8 144.300 133.520-121.160 1.00 0.00 C
ATOM 8 CA LEU 9 144.700 132.420-117.450 1.00 0.00 C
ATOM 9 CA ASP 10 147.920 130.370-118.560 1.00 0.00 C
ATOM 10 CA VAL 11 149.540 133.760-119.620 1.00 0.00 C
ATOM 11 CA MET 12 148.660 135.410-116.260 1.00 0.00 C
ATOM 12 CA VAL 13 149.940 132.440-114.270 1.00 0.00 C
ATOM 13 CA SER 14 152.990 132.050-116.570 1.00 0.00 C
ATOM 14 CA THR 15 153.920 135.800-116.390 1.00 0.00 C
ATOM 15 CA PHE 16 154.070 135.540-112.510 1.00 0.00 C
ATOM 16 CA HIS 17 156.440 132.430-112.910 1.00 0.00 C
ATOM 17 CA LYS 18 158.550 134.450-115.440 1.00 0.00 C
ATOM 18 CA TYR 19 159.780 136.490-112.370 1.00 0.00 C
ATOM 19 CA SER 20 158.830 134.470-109.120 1.00 0.00 C
ATOM 20 CA GLY 21 161.080 133.400-106.230 1.00 0.00 C
ATOM 21 CA LYS 22 164.540 134.740-105.300 1.00 0.00 C
ATOM 22 CA GLU 23 165.710 131.650-103.540 1.00 0.00 C
ATOM 23 CA GLY 24 163.220 128.880-104.390 1.00 0.00 C
ATOM 24 CA ASP 25 160.220 130.890-103.030 1.00 0.00 C
ATOM 25 CA LYS 26 158.080 130.420-106.260 1.00 0.00 C
ATOM 26 CA PHE 27 154.700 131.060-104.430 1.00 0.00 C
ATOM 27 CA LYS 28 155.460 134.890-104.220 1.00 0.00 C
ATOM 28 CA LEU 29 156.940 137.700-106.370 1.00 0.00 C
ATOM 29 CA ASN 30 159.680 139.960-105.000 1.00 0.00 C
ATOM 30 CA LYS 31 160.390 143.650-105.650 1.00 0.00 C
ATOM 31 CA SER 32 163.690 143.270-107.530 1.00 0.00 C
ATOM 32 CA GLU 33 161.870 141.280-110.340 1.00 0.00 C
ATOM 33 CA LEU 34 158.450 142.880-110.010 1.00 0.00 C
ATOM 34 CA LYS 35 160.090 146.170-111.240 1.00 0.00 C
ATOM 35 CA GLU 36 161.030 144.280-114.550 1.00 0.00 C
ATOM 36 CA LEU 37 157.510 142.850-115.030 1.00 0.00 C
ATOM 37 CA LEU 38 155.820 146.350-114.580 1.00 0.00 C
ATOM 38 CA THR 39 158.290 147.660-117.360 1.00 0.00 C
ATOM 39 CA ARG 40 158.440 144.660-119.860 1.00 0.00 C
ATOM 40 CA GLU 41 155.100 142.860-119.840 1.00 0.00 C
ATOM 41 CA LEU 42 152.360 145.680-119.730 1.00 0.00 C
ATOM 42 CA PRO 43 153.810 148.390-122.220 1.00 0.00 C
ATOM 43 CA SER 44 150.550 149.980-123.620 1.00 0.00 C
ATOM 44 CA PHE 45 149.210 150.270-120.020 1.00 0.00 C
ATOM 45 CA LEU 46 152.390 151.050-117.960 1.00 0.00 C
ATOM 46 CA GLY 47 155.220 151.630-120.430 1.00 0.00 C
ATOM 47 CA LYS 48 158.850 151.590-119.370 1.00 0.00 C
ATOM 48 CA ARG 49 159.330 155.390-118.260 1.00 0.00 C
ATOM 49 CA THR 50 158.260 157.330-115.140 1.00 0.00 C
ATOM 50 CA ASP 51 156.170 159.850-117.140 1.00 0.00 C
ATOM 51 CA GLU 52 154.380 156.730-118.320 1.00 0.00 C
ATOM 52 CA ALA 53 154.300 154.780-114.920 1.00 0.00 C
ATOM 53 CA ALA 54 156.300 154.920-111.630 1.00 0.00 C
ATOM 54 CA PHE 55 156.730 152.200-108.910 1.00 0.00 C
ATOM 55 CA GLN 56 155.570 153.680-105.550 1.00 0.00 C
ATOM 56 CA LYS 57 151.840 154.300-106.310 1.00 0.00 C
ATOM 57 CA LEU 58 151.570 150.910-108.110 1.00 0.00 C
ATOM 58 CA MET 59 153.140 149.180-104.940 1.00 0.00 C
ATOM 59 CA SER 60 150.670 151.010-102.590 1.00 0.00 C
ATOM 60 CA ASN 61 147.870 149.470-104.750 1.00 0.00 C
ATOM 61 CA LEU 62 149.560 145.970-105.160 1.00 0.00 C
ATOM 62 CA ASP 63 150.320 145.250-101.450 1.00 0.00 C
ATOM 63 CA SER 64 146.650 144.590-100.240 1.00 0.00 C
ATOM 64 CA ASN 65 148.010 142.570 -97.220 1.00 0.00 C
ATOM 65 CA ARG 66 150.690 145.000 -96.370 1.00 0.00 C
ATOM 66 CA ASP 67 153.860 142.890 -96.250 1.00 0.00 C
ATOM 67 CA ASN 68 155.990 144.700 -99.000 1.00 0.00 C
ATOM 68 CA GLU 69 155.960 141.660-101.290 1.00 0.00 C
ATOM 69 CA VAL 70 153.390 140.150-103.720 1.00 0.00 C
ATOM 70 CA ASP 71 151.460 136.920-103.220 1.00 0.00 C
ATOM 71 CA PHE 72 149.610 135.490-106.230 1.00 0.00 C
ATOM 72 CA GLN 73 146.290 136.670-104.540 1.00 0.00 C
ATOM 73 CA GLU 74 147.710 140.210-104.560 1.00 0.00 C
ATOM 74 CA TYR 75 148.460 139.650-108.310 1.00 0.00 C
ATOM 75 CA CYS 76 144.990 138.420-109.260 1.00 0.00 C
ATOM 76 CA VAL 77 143.130 141.580-108.000 1.00 0.00 C
ATOM 77 CA PHE 78 145.620 144.130-109.580 1.00 0.00 C
ATOM 78 CA LEU 79 145.300 142.540-112.990 1.00 0.00 C
ATOM 79 CA SER 80 141.430 142.670-112.400 1.00 0.00 C
ATOM 80 CA CYS 81 141.800 146.490-111.940 1.00 0.00 C
ATOM 81 CA ILE 82 143.630 146.670-115.380 1.00 0.00 C
ATOM 82 CA ALA 83 140.680 144.620-116.870 1.00 0.00 C
ATOM 83 CA MET 84 137.980 146.670-114.970 1.00 0.00 C
ATOM 84 CA MET 85 139.530 149.930-116.330 1.00 0.00 C
ATOM 85 CA CYS 86 139.810 148.910-120.010 1.00 0.00 C
ATOM 86 CA ASN 87 136.220 147.610-119.950 1.00 0.00 C
ATOM 87 CA GLU 88 135.280 151.390-120.110 1.00 0.00 C
ATOM 88 CA PHE 89 136.240 151.510-123.860 1.00 0.00 C
ATOM 89 CA PHE 90 135.180 147.900-124.740 1.00 0.00 C
ATOM 90 CA GLU 91 133.230 147.550-128.180 1.00 0.00 C
ATOM 91 CA GLY 92 133.310 143.720-129.070 1.00 0.00 C
ATOM 92 CA PHE 93 131.410 140.630-128.030 1.00 0.00 C
ATOM 93 CA PRO 94 127.560 141.170-128.360 1.00 0.00 C
ATOM 94 CA ALA 2 153.280 142.720-128.600 1.00 0.00 C
ATOM 95 CA CYS 3 153.140 141.460-124.910 1.00 0.00 C
ATOM 96 CA PRO 4 150.980 138.180-124.470 1.00 0.00 C
ATOM 97 CA LEU 5 149.500 139.520-121.110 1.00 0.00 C
ATOM 98 CA GLU 6 148.010 142.640-122.780 1.00 0.00 C
ATOM 99 CA LYS 7 146.180 140.210-125.180 1.00 0.00 C
ATOM 100 CA ALA 8 144.990 137.850-122.230 1.00 0.00 C
ATOM 101 CA LEU 9 143.610 141.020-120.440 1.00 0.00 C
ATOM 102 CA ASP 10 141.440 141.550-123.630 1.00 0.00 C
ATOM 103 CA VAL 11 140.050 137.910-123.190 1.00 0.00 C
ATOM 104 CA MET 12 139.390 138.360-119.380 1.00 0.00 C
ATOM 105 CA VAL 13 137.230 141.400-120.180 1.00 0.00 C
ATOM 106 CA SER 14 135.660 139.820-123.340 1.00 0.00 C
ATOM 107 CA THR 15 134.400 136.510-121.790 1.00 0.00 C
ATOM 108 CA PHE 16 131.950 138.480-119.620 1.00 0.00 C
ATOM 109 CA HIS 17 130.310 140.160-122.530 1.00 0.00 C
ATOM 110 CA LYS 18 130.520 136.870-124.660 1.00 0.00 C
ATOM 111 CA TYR 19 127.520 135.440-122.680 1.00 0.00 C
ATOM 112 CA SER 20 125.890 138.700-121.380 1.00 0.00 C
ATOM 113 CA GLY 21 123.060 140.690-122.990 1.00 0.00 C
ATOM 114 CA LYS 22 121.340 137.510-124.400 1.00 0.00 C
ATOM 115 CA GLU 23 118.800 137.180-121.410 1.00 0.00 C
ATOM 116 CA GLY 24 119.710 140.150-119.240 1.00 0.00 C
ATOM 117 CA ASP 25 120.220 143.790-120.370 1.00 0.00 C
ATOM 118 CA LYS 26 124.000 143.740-120.610 1.00 0.00 C
ATOM 119 CA PHE 27 124.590 146.410-117.840 1.00 0.00 C
ATOM 120 CA LYS 28 125.730 143.210-115.890 1.00 0.00 C
ATOM 121 CA LEU 29 125.890 139.310-116.340 1.00 0.00 C
ATOM 122 CA ASN 30 122.460 137.730-115.630 1.00 0.00 C
ATOM 123 CA LYS 31 122.090 134.600-113.500 1.00 0.00 C
ATOM 124 CA SER 32 120.910 132.670-116.620 1.00 0.00 C
ATOM 125 CA GLU 33 124.010 133.720-118.470 1.00 0.00 C
ATOM 126 CA LEU 34 126.490 133.060-115.690 1.00 0.00 C
ATOM 127 CA LYS 35 125.250 129.380-115.720 1.00 0.00 C
ATOM 128 CA GLU 36 125.800 129.370-119.530 1.00 0.00 C
ATOM 129 CA LEU 37 129.450 130.590-119.080 1.00 0.00 C
ATOM 130 CA LEU 38 129.990 127.870-116.330 1.00 0.00 C
ATOM 131 CA THR 39 128.400 125.160-118.450 1.00 0.00 C
ATOM 132 CA ARG 40 129.870 126.020-121.940 1.00 0.00 C
ATOM 133 CA GLU 41 133.250 127.890-121.190 1.00 0.00 C
ATOM 134 CA LEU 42 134.250 126.520-117.600 1.00 0.00 C
ATOM 135 CA PRO 43 132.970 122.860-117.550 1.00 0.00 C
ATOM 136 CA SER 44 136.090 121.200-116.030 1.00 0.00 C
ATOM 137 CA PHE 45 135.220 123.390-112.950 1.00 0.00 C
ATOM 138 CA LEU 46 131.420 122.450-112.850 1.00 0.00 C
ATOM 139 CA GLY 47 130.150 120.570-109.750 1.00 0.00 C
ATOM 140 CA LYS 48 128.180 117.240-110.050 1.00 0.00 C
ATOM 141 CA ARG 49 125.270 118.940-108.310 1.00 0.00 C
ATOM 142 CA THR 50 123.740 121.580-110.700 1.00 0.00 C
ATOM 143 CA ASP 51 120.240 122.030-109.230 1.00 0.00 C
ATOM 144 CA GLU 52 119.100 125.640-108.350 1.00 0.00 C
ATOM 145 CA ALA 53 119.890 125.720-104.510 1.00 0.00 C
ATOM 146 CA ALA 54 123.350 124.760-105.350 1.00 0.00 C
ATOM 147 CA PHE 55 123.420 127.750-107.830 1.00 0.00 C
ATOM 148 CA GLN 56 121.700 130.090-105.350 1.00 0.00 C
ATOM 149 CA LYS 57 124.270 129.210-102.540 1.00 0.00 C
ATOM 150 CA LEU 58 127.000 130.460-104.970 1.00 0.00 C
ATOM 151 CA MET 59 124.910 133.490-106.050 1.00 0.00 C
ATOM 152 CA SER 60 124.760 134.870-102.400 1.00 0.00 C
ATOM 153 CA ASN 61 128.440 135.920-102.800 1.00 0.00 C
ATOM 154 CA LEU 62 127.540 137.410-106.350 1.00 0.00 C
ATOM 155 CA ASP 63 124.000 139.100-106.320 1.00 0.00 C
ATOM 156 CA SER 64 125.560 141.980-104.230 1.00 0.00 C
ATOM 157 CA ASN 65 122.610 144.470-105.070 1.00 0.00 C
ATOM 158 CA ARG 66 119.640 141.900-104.930 1.00 0.00 C
ATOM 159 CA ASP 67 118.690 142.290-108.580 1.00 0.00 C
ATOM 160 CA ASN 68 119.740 138.790-109.860 1.00 0.00 C
ATOM 161 CA GLU 69 122.480 140.430-112.150 1.00 0.00 C
ATOM 162 CA VAL 70 126.360 140.190-111.480 1.00 0.00 C
ATOM 163 CA ASP 71 128.720 143.050-111.850 1.00 0.00 C
ATOM 164 CA PHE 72 132.220 143.000-113.350 1.00 0.00 C
ATOM 165 CA GLN 73 133.630 143.470-109.740 1.00 0.00 C
ATOM 166 CA GLU 74 131.970 140.280-108.390 1.00 0.00 C
ATOM 167 CA TYR 75 132.940 138.610-111.620 1.00 0.00 C
ATOM 168 CA CYS 76 136.580 139.740-111.030 1.00 0.00 C
ATOM 169 CA VAL 77 136.500 138.640-107.290 1.00 0.00 C
ATOM 170 CA PHE 78 135.200 135.090-108.250 1.00 0.00 C
ATOM 171 CA LEU 79 137.440 134.690-111.390 1.00 0.00 C
ATOM 172 CA SER 80 140.580 135.350-109.020 1.00 0.00 C
ATOM 173 CA CYS 81 139.870 132.070-107.090 1.00 0.00 C
ATOM 174 CA ILE 82 139.630 130.420-110.570 1.00 0.00 C
ATOM 175 CA ALA 83 143.270 131.490-111.320 1.00 0.00 C
ATOM 176 CA MET 84 144.020 130.160-107.860 1.00 0.00 C
ATOM 177 CA MET 85 142.630 126.770-108.740 1.00 0.00 C
ATOM 178 CA CYS 86 144.720 126.820-111.900 1.00 0.00 C
ATOM 179 CA ASN 87 148.120 128.050-110.310 1.00 0.00 C
ATOM 180 CA GLU 88 147.820 124.850-108.090 1.00 0.00 C
ATOM 181 CA PHE 89 148.520 122.690-111.180 1.00 0.00 C
ATOM 182 CA PHE 90 149.610 124.850-114.260 1.00 0.00 C
ATOM 183 CA GLU 91 153.220 124.600-115.600 1.00 0.00 C
ATOM 184 CA GLY 92 154.410 128.220-114.990 1.00 0.00 C
ATOM 185 CA PHE 93 157.290 129.310-117.340 1.00 0.00 C
ATOM 186 CA PRO 94 160.650 127.620-118.180 1.00 0.00 C
ATOM 187 CA TYR 1893 142.180 153.000-127.670 1.00 0.00 C
ATOM 188 CA ARG 1894 145.320 155.260-127.040 1.00 0.00 C
ATOM 189 CA LYS 1895 148.570 154.390-125.110 1.00 0.00 C
ATOM 190 CA LEU 1896 148.300 155.220-121.380 1.00 0.00 C
ATOM 191 CA GLN 1897 150.120 157.490-118.910 1.00 0.00 C
ATOM 192 CA ARG 1898 150.110 157.740-115.060 1.00 0.00 C
ATOM 193 CA GLU 1899 146.330 156.570-114.920 1.00 0.00 C
ATOM 194 CA LEU 1900 146.730 152.870-114.130 1.00 0.00 C
ATOM 195 CA GLU 1901 148.410 154.160-110.940 1.00 0.00 C
ATOM 196 CA ASP 1902 144.780 155.440-110.260 1.00 0.00 C
ATOM 197 CA ALA 1903 142.340 152.820-111.570 1.00 0.00 C
ATOM 198 CA THR 1904 144.420 150.070-109.730 1.00 0.00 C
ATOM 199 CA GLU 1905 143.400 151.570-106.330 1.00 0.00 C
ATOM 200 CA THR 1906 140.400 149.120-106.310 1.00 0.00 C
ATOM 201 CA ALA 1907 142.610 146.150-105.520 1.00 0.00 C
ATOM 202 CA ASP 1908 142.060 146.300-101.720 1.00 0.00 C
ATOM 203 CA ALA 1909 138.250 146.210-102.340 1.00 0.00 C
ATOM 204 CA MET 1910 138.510 142.950-104.380 1.00 0.00 C
ATOM 205 CA ASN 1911 141.340 141.540-102.160 1.00 0.00 C
ATOM 206 CA ARG 1912 139.090 141.900 -98.950 1.00 0.00 C
ATOM 207 CA GLU 1913 136.520 139.480-100.390 1.00 0.00 C
ATOM 208 CA VAL 1914 139.090 137.130-102.190 1.00 0.00 C
ATOM 209 CA SER 1915 140.820 136.700 -98.760 1.00 0.00 C
ATOM 210 CA SER 1916 137.730 134.910 -97.380 1.00 0.00 C
ATOM 211 CA LEU 1917 136.400 133.310-100.750 1.00 0.00 C
ATOM 212 CA LYS 1918 139.710 131.260-101.120 1.00 0.00 C
ATOM 213 CA ASN 1919 138.780 129.260 -97.940 1.00 0.00 C
ATOM 214 CA LYS 1920 134.960 128.950 -98.400 1.00 0.00 C
ATOM 215 CA LEU 1921 135.780 127.480-101.870 1.00 0.00 C
ATOM 216 CA ARG 1922 138.500 124.970-100.720 1.00 0.00 C
ATOM 217 CA ARG 1923 136.460 123.800 -97.610 1.00 0.00 C
ATOM 218 CA GLY 1924 133.360 122.850 -99.710 1.00 0.00 C
ATOM 219 CA ASP 1925 130.930 125.900 -99.090 1.00 0.00 C
ATOM 220 CA LEU 1926 129.810 126.560-102.750 1.00 0.00 C
ATOM 221 CA PRO 1927 128.120 123.460-104.300 1.00 0.00 C
ATOM 222 CA PHE 1928 128.030 124.340-108.010 1.00 0.00 C
ATOM 223 CA VAL 1929 131.880 124.180-108.530 1.00 0.00 C
ATOM 224 CA VAL 1930 134.700 121.830-107.650 1.00 0.00 C
ATOM 225 CA PRO 1931 136.920 123.040-104.680 1.00 0.00 C
ATOM 226 CA ARG 1932 140.200 122.010-106.400 1.00 0.00 C
ATOM 227 CA ARG 1933 141.740 120.440-109.590 1.00 0.00 C
ATOM 228 CA MET 1934 144.610 118.130-110.580 1.00 0.00 C
ATOM 229 CA ALA 1935 143.960 118.500-114.450 1.00 0.00 C
TER
ENDMDL
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elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.
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