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*** noca_3 ***elNémo ID: 2101081000052531Job options:ID = 2101081000052531 JOBID = noca_3 USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER noca_3 REMARK GENERATED BY TRJCONV TITLE Protein in water t= 700000.00000 step= 350000000 REMARK THIS IS A SIMULATION BOX CRYST1 80.297 80.297 80.297 60.00 60.00 90.00 P 1 1 MODEL 1 ATOM 1 CA ALA 2 51.910 199.950-109.910 1.00 0.00 C ATOM 2 CA CYS 3 48.980 199.830-112.370 1.00 0.00 C ATOM 3 CA PRO 4 46.950 203.100-112.070 1.00 0.00 C ATOM 4 CA LEU 5 43.650 201.120-112.500 1.00 0.00 C ATOM 5 CA GLU 6 43.240 201.580-108.690 1.00 0.00 C ATOM 6 CA LYS 7 42.090 205.140-109.560 1.00 0.00 C ATOM 7 CA ALA 8 39.210 203.750-111.720 1.00 0.00 C ATOM 8 CA LEU 9 37.720 201.140-109.340 1.00 0.00 C ATOM 9 CA ASP 10 37.320 203.720-106.540 1.00 0.00 C ATOM 10 CA VAL 11 34.610 205.570-108.780 1.00 0.00 C ATOM 11 CA MET 12 33.250 202.500-110.850 1.00 0.00 C ATOM 12 CA VAL 13 29.900 202.240-108.830 1.00 0.00 C ATOM 13 CA SER 14 29.430 205.920-108.060 1.00 0.00 C ATOM 14 CA THR 15 29.820 206.720-111.760 1.00 0.00 C ATOM 15 CA PHE 16 26.850 204.410-112.250 1.00 0.00 C ATOM 16 CA HIS 17 24.840 205.810-109.170 1.00 0.00 C ATOM 17 CA LYS 18 25.180 209.200-110.960 1.00 0.00 C ATOM 18 CA TYR 19 22.600 208.090-113.750 1.00 0.00 C ATOM 19 CA SER 20 20.900 204.860-112.500 1.00 0.00 C ATOM 20 CA GLY 21 17.580 204.610-110.410 1.00 0.00 C ATOM 21 CA LYS 22 16.360 207.960-112.080 1.00 0.00 C ATOM 22 CA GLU 23 13.250 205.920-113.370 1.00 0.00 C ATOM 23 CA GLY 24 13.070 203.550-110.310 1.00 0.00 C ATOM 24 CA ASP 25 15.380 200.590-109.520 1.00 0.00 C ATOM 25 CA LYS 26 18.930 201.820-108.530 1.00 0.00 C ATOM 26 CA PHE 27 20.560 198.640-109.960 1.00 0.00 C ATOM 27 CA LYS 28 18.860 199.490-113.320 1.00 0.00 C ATOM 28 CA LEU 29 19.480 202.290-115.900 1.00 0.00 C ATOM 29 CA ASN 30 17.890 203.720-119.160 1.00 0.00 C ATOM 30 CA LYS 31 19.570 203.260-122.510 1.00 0.00 C ATOM 31 CA SER 32 19.200 207.060-123.270 1.00 0.00 C ATOM 32 CA GLU 33 21.090 207.780-120.030 1.00 0.00 C ATOM 33 CA LEU 34 23.760 205.000-120.670 1.00 0.00 C ATOM 34 CA LYS 35 24.140 207.190-123.880 1.00 0.00 C ATOM 35 CA GLU 36 24.810 210.140-121.540 1.00 0.00 C ATOM 36 CA LEU 37 27.190 208.230-119.200 1.00 0.00 C ATOM 37 CA LEU 38 29.340 206.760-122.090 1.00 0.00 C ATOM 38 CA THR 39 29.570 210.360-123.680 1.00 0.00 C ATOM 39 CA ARG 40 30.020 212.340-120.330 1.00 0.00 C ATOM 40 CA GLU 41 32.020 210.270-117.740 1.00 0.00 C ATOM 41 CA LEU 42 34.380 208.960-120.460 1.00 0.00 C ATOM 42 CA PRO 43 36.780 211.570-122.170 1.00 0.00 C ATOM 43 CA SER 44 36.690 211.950-125.980 1.00 0.00 C ATOM 44 CA PHE 45 39.810 209.630-126.770 1.00 0.00 C ATOM 45 CA LEU 46 40.050 205.890-127.800 1.00 0.00 C ATOM 46 CA GLY 47 43.450 204.770-126.700 1.00 0.00 C ATOM 47 CA LYS 48 45.210 203.160-129.780 1.00 0.00 C ATOM 48 CA ARG 49 42.580 204.690-132.240 1.00 0.00 C ATOM 49 CA THR 50 42.420 208.340-133.360 1.00 0.00 C ATOM 50 CA ASP 51 38.890 207.950-134.960 1.00 0.00 C ATOM 51 CA GLU 52 35.430 208.080-133.360 1.00 0.00 C ATOM 52 CA ALA 53 33.330 206.320-136.010 1.00 0.00 C ATOM 53 CA ALA 54 33.190 202.890-134.010 1.00 0.00 C ATOM 54 CA PHE 55 31.940 204.830-130.970 1.00 0.00 C ATOM 55 CA GLN 56 29.450 206.710-133.090 1.00 0.00 C ATOM 56 CA LYS 57 28.420 203.170-134.440 1.00 0.00 C ATOM 57 CA LEU 58 27.880 201.830-130.850 1.00 0.00 C ATOM 58 CA MET 59 26.000 205.100-129.820 1.00 0.00 C ATOM 59 CA SER 60 23.740 204.990-133.080 1.00 0.00 C ATOM 60 CA ASN 61 22.870 201.290-132.690 1.00 0.00 C ATOM 61 CA LEU 62 21.820 201.880-128.990 1.00 0.00 C ATOM 62 CA ASP 63 19.370 204.820-129.780 1.00 0.00 C ATOM 63 CA SER 64 17.520 202.720-132.330 1.00 0.00 C ATOM 64 CA ASN 65 17.380 199.710-129.930 1.00 0.00 C ATOM 65 CA ARG 66 13.970 198.260-128.880 1.00 0.00 C ATOM 66 CA ASP 67 14.430 197.260-125.200 1.00 0.00 C ATOM 67 CA ASN 68 14.490 200.270-122.790 1.00 0.00 C ATOM 68 CA GLU 69 16.630 199.230-119.650 1.00 0.00 C ATOM 69 CA VAL 70 20.060 197.900-118.610 1.00 0.00 C ATOM 70 CA ASP 71 21.480 196.480-115.370 1.00 0.00 C ATOM 71 CA PHE 72 24.760 197.160-113.440 1.00 0.00 C ATOM 72 CA GLN 73 26.520 193.950-114.550 1.00 0.00 C ATOM 73 CA GLU 74 25.670 194.800-118.190 1.00 0.00 C ATOM 74 CA TYR 75 27.300 198.340-117.820 1.00 0.00 C ATOM 75 CA CYS 76 30.510 196.500-116.940 1.00 0.00 C ATOM 76 CA VAL 77 30.640 194.710-120.340 1.00 0.00 C ATOM 77 CA PHE 78 29.680 198.040-122.240 1.00 0.00 C ATOM 78 CA LEU 79 32.580 199.840-120.500 1.00 0.00 C ATOM 79 CA SER 80 34.690 196.660-121.440 1.00 0.00 C ATOM 80 CA CYS 81 33.440 197.130-125.120 1.00 0.00 C ATOM 81 CA ILE 82 34.820 200.710-125.100 1.00 0.00 C ATOM 82 CA ALA 83 37.910 199.220-123.580 1.00 0.00 C ATOM 83 CA MET 84 38.430 196.650-126.460 1.00 0.00 C ATOM 84 CA MET 85 37.830 199.600-128.900 1.00 0.00 C ATOM 85 CA CYS 86 40.570 201.460-126.950 1.00 0.00 C ATOM 86 CA ASN 87 43.080 198.620-127.870 1.00 0.00 C ATOM 87 CA GLU 88 41.450 197.330-131.230 1.00 0.00 C ATOM 88 CA PHE 89 40.630 193.850-129.650 1.00 0.00 C ATOM 89 CA PHE 90 38.580 191.160-131.360 1.00 0.00 C ATOM 90 CA GLU 91 40.450 187.740-130.950 1.00 0.00 C ATOM 91 CA GLY 92 39.390 185.460-128.090 1.00 0.00 C ATOM 92 CA PHE 93 36.330 187.840-127.470 1.00 0.00 C ATOM 93 CA PRO 94 32.650 187.450-128.770 1.00 0.00 C ATOM 94 CA ALA 2 35.060 213.020-117.850 1.00 0.00 C ATOM 95 CA CYS 3 36.290 211.300-114.620 1.00 0.00 C ATOM 96 CA PRO 4 39.170 208.800-113.470 1.00 0.00 C ATOM 97 CA LEU 5 37.510 205.760-114.830 1.00 0.00 C ATOM 98 CA GLU 6 39.810 206.090-117.910 1.00 0.00 C ATOM 99 CA LYS 7 42.550 204.340-115.990 1.00 0.00 C ATOM 100 CA ALA 8 40.830 201.040-116.570 1.00 0.00 C ATOM 101 CA LEU 9 40.350 201.190-120.330 1.00 0.00 C ATOM 102 CA ASP 10 44.060 200.430-121.100 1.00 0.00 C ATOM 103 CA VAL 11 44.120 197.050-119.030 1.00 0.00 C ATOM 104 CA MET 12 40.600 195.930-117.970 1.00 0.00 C ATOM 105 CA VAL 13 40.320 193.680-121.050 1.00 0.00 C ATOM 106 CA SER 14 44.070 193.670-121.900 1.00 0.00 C ATOM 107 CA THR 15 44.640 191.680-118.750 1.00 0.00 C ATOM 108 CA PHE 16 42.150 188.990-120.030 1.00 0.00 C ATOM 109 CA HIS 17 43.780 189.280-123.570 1.00 0.00 C ATOM 110 CA LYS 18 47.350 188.860-122.100 1.00 0.00 C ATOM 111 CA TYR 19 46.240 185.670-120.230 1.00 0.00 C ATOM 112 CA SER 20 43.430 183.970-122.260 1.00 0.00 C ATOM 113 CA GLY 21 44.070 180.770-124.370 1.00 0.00 C ATOM 114 CA LYS 22 47.420 180.210-122.360 1.00 0.00 C ATOM 115 CA GLU 23 46.570 176.640-121.200 1.00 0.00 C ATOM 116 CA GLY 24 43.400 176.340-123.170 1.00 0.00 C ATOM 117 CA ASP 25 40.860 177.940-125.710 1.00 0.00 C ATOM 118 CA LYS 26 41.750 181.640-126.670 1.00 0.00 C ATOM 119 CA PHE 27 38.000 182.510-125.950 1.00 0.00 C ATOM 120 CA LYS 28 38.630 182.000-122.100 1.00 0.00 C ATOM 121 CA LEU 29 40.850 182.320-119.000 1.00 0.00 C ATOM 122 CA ASN 30 41.890 179.920-116.250 1.00 0.00 C ATOM 123 CA LYS 31 40.420 180.620-112.720 1.00 0.00 C ATOM 124 CA SER 32 43.810 179.840-110.980 1.00 0.00 C ATOM 125 CA GLU 33 45.420 182.720-112.920 1.00 0.00 C ATOM 126 CA LEU 34 42.320 185.040-112.500 1.00 0.00 C ATOM 127 CA LYS 35 42.530 184.510-108.620 1.00 0.00 C ATOM 128 CA GLU 36 46.080 186.170-108.910 1.00 0.00 C ATOM 129 CA LEU 37 45.400 188.520-111.980 1.00 0.00 C ATOM 130 CA LEU 38 44.120 191.780-110.320 1.00 0.00 C ATOM 131 CA THR 39 45.700 191.240-106.800 1.00 0.00 C ATOM 132 CA ARG 40 49.040 191.130-108.660 1.00 0.00 C ATOM 133 CA GLU 41 48.260 194.410-110.620 1.00 0.00 C ATOM 134 CA LEU 42 46.330 196.230-107.680 1.00 0.00 C ATOM 135 CA PRO 43 48.900 195.230-104.880 1.00 0.00 C ATOM 136 CA SER 44 47.520 197.550-102.030 1.00 0.00 C ATOM 137 CA PHE 45 44.130 198.680-103.620 1.00 0.00 C ATOM 138 CA LEU 46 42.970 194.950-103.760 1.00 0.00 C ATOM 139 CA GLY 47 45.610 192.270-102.880 1.00 0.00 C ATOM 140 CA LYS 48 46.120 194.090 -99.490 1.00 0.00 C ATOM 141 CA ARG 49 42.660 195.660 -98.940 1.00 0.00 C ATOM 142 CA THR 50 42.130 194.970 -95.090 1.00 0.00 C ATOM 143 CA ASP 51 38.290 195.250 -95.400 1.00 0.00 C ATOM 144 CA GLU 52 36.720 191.720 -95.230 1.00 0.00 C ATOM 145 CA ALA 53 33.120 192.830 -96.330 1.00 0.00 C ATOM 146 CA ALA 54 33.040 191.190 -99.780 1.00 0.00 C ATOM 147 CA PHE 55 36.070 188.880-100.500 1.00 0.00 C ATOM 148 CA GLN 56 34.050 185.520 -99.950 1.00 0.00 C ATOM 149 CA LYS 57 31.440 187.160-102.350 1.00 0.00 C ATOM 150 CA LEU 58 34.220 187.710-104.840 1.00 0.00 C ATOM 151 CA MET 59 35.650 184.210-104.470 1.00 0.00 C ATOM 152 CA SER 60 32.060 182.790-104.800 1.00 0.00 C ATOM 153 CA ASN 61 31.880 184.140-108.350 1.00 0.00 C ATOM 154 CA LEU 62 34.590 181.570-109.390 1.00 0.00 C ATOM 155 CA ASP 63 32.320 178.740-108.030 1.00 0.00 C ATOM 156 CA SER 64 29.070 179.890-109.930 1.00 0.00 C ATOM 157 CA ASN 65 30.250 177.820-113.000 1.00 0.00 C ATOM 158 CA ARG 66 31.510 174.290-112.330 1.00 0.00 C ATOM 159 CA ASP 67 34.520 174.700-114.890 1.00 0.00 C ATOM 160 CA ASN 68 38.170 175.780-114.590 1.00 0.00 C ATOM 161 CA GLU 69 38.200 178.750-117.120 1.00 0.00 C ATOM 162 CA VAL 70 35.970 181.880-117.510 1.00 0.00 C ATOM 163 CA ASP 71 34.700 183.630-120.720 1.00 0.00 C ATOM 164 CA PHE 72 34.650 187.440-121.290 1.00 0.00 C ATOM 165 CA GLN 73 30.960 187.620-120.010 1.00 0.00 C ATOM 166 CA GLU 74 31.640 185.590-116.810 1.00 0.00 C ATOM 167 CA TYR 75 34.810 187.770-116.270 1.00 0.00 C ATOM 168 CA CYS 76 32.490 190.760-116.210 1.00 0.00 C ATOM 169 CA VAL 77 30.440 189.400-113.190 1.00 0.00 C ATOM 170 CA PHE 78 33.940 189.120-111.480 1.00 0.00 C ATOM 171 CA LEU 79 34.760 192.740-112.570 1.00 0.00 C ATOM 172 CA SER 80 31.380 193.850-111.090 1.00 0.00 C ATOM 173 CA CYS 81 32.400 191.890-107.820 1.00 0.00 C ATOM 174 CA ILE 82 35.690 193.830-107.650 1.00 0.00 C ATOM 175 CA ALA 83 34.030 197.270-108.250 1.00 0.00 C ATOM 176 CA MET 84 31.510 196.620-105.440 1.00 0.00 C ATOM 177 CA MET 85 34.390 195.330-103.040 1.00 0.00 C ATOM 178 CA CYS 86 36.140 198.700-103.810 1.00 0.00 C ATOM 179 CA ASN 87 32.970 200.690-102.960 1.00 0.00 C ATOM 180 CA GLU 88 31.400 201.380 -99.510 1.00 0.00 C ATOM 181 CA PHE 89 28.240 199.250-100.250 1.00 0.00 C ATOM 182 CA PHE 90 27.460 195.970-102.180 1.00 0.00 C ATOM 183 CA GLU 91 24.600 194.870-104.530 1.00 0.00 C ATOM 184 CA GLY 92 24.040 192.210-107.400 1.00 0.00 C ATOM 185 CA PHE 93 24.750 188.450-107.470 1.00 0.00 C ATOM 186 CA PRO 94 28.080 186.390-107.760 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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