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trajout.gro
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TRP-CAGE in water t= 10.00000 step= 5000
284
1ASP N 1 1.653 2.930 1.899
1ASP H1 2 1.682 2.933 1.803
1ASP H2 3 1.610 2.839 1.911
1ASP H3 4 1.575 2.993 1.911
1ASP CA 5 1.761 2.945 1.987
1ASP HA 6 1.825 3.011 1.928
1ASP CB 7 1.732 3.033 2.107
1ASP HB1 8 1.823 3.060 2.160
1ASP HB2 9 1.669 2.972 2.172
1ASP CG 10 1.667 3.171 2.073
1ASP OD1 11 1.583 3.171 1.986
1ASP OD2 12 1.693 3.272 2.144
1ASP C 13 1.824 2.810 2.014
1ASP O 14 1.771 2.736 2.107
2ALA N 15 1.932 2.773 1.948
2ALA H 16 1.989 2.841 1.900
2ALA CA 17 1.974 2.634 1.926
2ALA HA 18 1.883 2.579 1.904
2ALA CB 19 2.074 2.637 1.819
2ALA HB1 20 2.101 2.535 1.792
2ALA HB2 21 2.034 2.685 1.729
2ALA HB3 22 2.166 2.689 1.846
2ALA C 23 2.041 2.586 2.057
2ALA O 24 2.074 2.471 2.077
3TYR N 25 2.082 2.685 2.141
3TYR H 26 2.042 2.775 2.117
3TYR CA 27 2.137 2.666 2.272
3TYR HA 28 2.239 2.628 2.267
3TYR CB 29 2.135 2.804 2.335
3TYR HB1 30 2.030 2.826 2.357
3TYR HB2 31 2.184 2.870 2.264
3TYR CG 32 2.222 2.819 2.465
3TYR CD1 33 2.165 2.856 2.592
3TYR HD1 34 2.058 2.873 2.600
3TYR CE1 35 2.244 2.874 2.704
3TYR HE1 36 2.202 2.905 2.799
3TYR CZ 37 2.374 2.827 2.709
3TYR OH 38 2.446 2.805 2.818
3TYR HH 39 2.537 2.800 2.788
3TYR CE2 40 2.437 2.804 2.582
3TYR HE2 41 2.536 2.762 2.585
3TYR CD2 42 2.360 2.793 2.464
3TYR HD2 43 2.410 2.768 2.372
3TYR C 44 2.047 2.569 2.361
3TYR O 45 2.101 2.480 2.427
4ALA N 46 1.913 2.567 2.350
4ALA H 47 1.870 2.622 2.277
4ALA CA 48 1.823 2.471 2.418
4ALA HA 49 1.832 2.468 2.527
4ALA CB 50 1.689 2.520 2.386
4ALA HB1 51 1.677 2.627 2.403
4ALA HB2 52 1.657 2.492 2.286
4ALA HB3 53 1.621 2.461 2.448
4ALA C 54 1.851 2.323 2.386
4ALA O 55 1.859 2.238 2.466
5GLN N 56 1.884 2.304 2.257
5GLN H 57 1.884 2.383 2.194
5GLN CA 58 1.896 2.177 2.189
5GLN HA 59 1.811 2.119 2.223
5GLN CB 60 1.887 2.199 2.040
5GLN HB1 61 1.990 2.215 2.006
5GLN HB2 62 1.821 2.284 2.028
5GLN CG 63 1.837 2.073 1.979
5GLN HG1 64 1.753 2.015 2.018
5GLN HG2 65 1.918 2.004 2.003
5GLN CD 66 1.831 2.074 1.824
5GLN OE1 67 1.833 2.185 1.760
5GLN NE2 68 1.849 1.961 1.765
5GLN HE21 69 1.880 1.878 1.813
5GLN HE22 70 1.833 1.977 1.666
5GLN C 71 2.031 2.107 2.231
5GLN O 72 2.029 1.981 2.228
6TRP N 73 2.141 2.179 2.249
6TRP H 74 2.120 2.276 2.230
6TRP CA 75 2.272 2.139 2.309
6TRP HA 76 2.309 2.048 2.261
6TRP CB 77 2.375 2.241 2.281
6TRP HB1 78 2.338 2.343 2.285
6TRP HB2 79 2.402 2.229 2.176
6TRP CG 80 2.501 2.239 2.363
6TRP CD1 81 2.618 2.174 2.349
6TRP HD1 82 2.633 2.094 2.278
6TRP NE1 83 2.707 2.201 2.448
6TRP HE1 84 2.795 2.153 2.450
6TRP CE2 85 2.651 2.296 2.532
6TRP CZ2 86 2.707 2.364 2.643
6TRP HZ2 87 2.810 2.342 2.669
6TRP CH2 88 2.634 2.479 2.693
6TRP HH2 89 2.689 2.545 2.758
6TRP CZ3 90 2.506 2.503 2.646
6TRP HZ3 91 2.453 2.588 2.688
6TRP CE3 92 2.448 2.430 2.544
6TRP HE3 93 2.356 2.459 2.496
6TRP CD2 94 2.518 2.324 2.483
6TRP C 95 2.277 2.104 2.453
6TRP O 96 2.326 2.002 2.510
7LEU N 97 2.190 2.174 2.521
7LEU H 98 2.154 2.257 2.478
7LEU CA 99 2.139 2.141 2.658
7LEU HA 100 2.223 2.126 2.725
7LEU CB 101 2.068 2.260 2.721
7LEU HB1 102 1.998 2.223 2.796
7LEU HB2 103 2.005 2.307 2.645
7LEU CG 104 2.170 2.358 2.780
7LEU HG 105 2.248 2.373 2.706
7LEU CD1 106 2.110 2.492 2.804
7LEU HD11 107 2.018 2.478 2.861
7LEU HD12 108 2.192 2.553 2.843
7LEU HD13 109 2.099 2.553 2.715
7LEU CD2 110 2.226 2.307 2.911
7LEU HD21 111 2.320 2.351 2.942
7LEU HD22 112 2.149 2.337 2.982
7LEU HD23 113 2.231 2.198 2.913
7LEU C 114 2.055 2.012 2.679
7LEU O 115 2.097 1.925 2.756
8LYS N 116 1.967 1.979 2.573
8LYS H 117 1.936 2.058 2.519
8LYS CA 118 1.890 1.844 2.561
8LYS HA 119 1.863 1.815 2.662
8LYS CB 120 1.773 1.849 2.467
8LYS HB1 121 1.730 1.750 2.459
8LYS HB2 122 1.802 1.880 2.366
8LYS CG 123 1.660 1.939 2.518
8LYS HG1 124 1.689 2.042 2.534
8LYS HG2 125 1.641 1.906 2.620
8LYS CD 126 1.547 1.957 2.422
8LYS HD1 127 1.572 1.973 2.317
8LYS HD2 128 1.484 2.042 2.444
8LYS CE 129 1.463 1.840 2.438
8LYS HE1 130 1.459 1.804 2.540
8LYS HE2 131 1.513 1.758 2.387
8LYS NZ 132 1.330 1.861 2.367
8LYS HZ1 133 1.276 1.778 2.348
8LYS HZ2 134 1.271 1.925 2.419
8LYS HZ3 135 1.355 1.889 2.273
8LYS C 136 1.984 1.731 2.517
8LYS O 137 1.971 1.619 2.574
9ASP N 138 2.081 1.754 2.424
9ASP H 139 2.087 1.847 2.386
9ASP CA 140 2.172 1.649 2.371
9ASP HA 141 2.125 1.555 2.401
9ASP CB 142 2.167 1.637 2.215
9ASP HB1 143 2.204 1.721 2.156
9ASP HB2 144 2.062 1.640 2.187
9ASP CG 145 2.232 1.514 2.149
9ASP OD1 146 2.176 1.481 2.039
9ASP OD2 147 2.335 1.470 2.197
9ASP C 148 2.321 1.668 2.417
9ASP O 149 2.396 1.742 2.359
10GLY N 150 2.352 1.607 2.532
10GLY H 151 2.280 1.543 2.565
10GLY CA 152 2.486 1.584 2.588
10GLY HA1 153 2.553 1.595 2.503
10GLY HA2 154 2.499 1.487 2.636
10GLY C 155 2.531 1.700 2.672
10GLY O 156 2.566 1.680 2.788
11GLY N 157 2.534 1.814 2.609
11GLY H 158 2.512 1.814 2.511
11GLY CA 159 2.585 1.937 2.667
11GLY HA1 160 2.518 1.973 2.745
11GLY HA2 161 2.583 2.018 2.594
11GLY C 162 2.730 1.922 2.726
11GLY O 163 2.814 1.847 2.679
12PRO N 164 2.767 2.004 2.823
12PRO CD 165 2.672 2.077 2.911
12PRO HD1 166 2.607 2.012 2.969
12PRO HD2 167 2.602 2.144 2.860
12PRO CG 168 2.761 2.153 3.011
12PRO HG1 169 2.771 2.101 3.106
12PRO HG2 170 2.726 2.249 3.051
12PRO CB 171 2.899 2.139 2.947
12PRO HB1 172 2.972 2.155 3.026
12PRO HB2 173 2.914 2.213 2.868
12PRO CA 174 2.914 2.016 2.869
12PRO HA 175 2.985 2.028 2.787
12PRO C 176 2.952 1.889 2.950
12PRO O 177 3.069 1.858 2.950
13SER N 178 2.862 1.816 3.013
13SER H 179 2.770 1.847 2.987
13SER CA 180 2.890 1.694 3.082
13SER HA 181 2.961 1.730 3.156
13SER CB 182 2.774 1.647 3.170
13SER HB1 183 2.720 1.734 3.210
13SER HB2 184 2.794 1.593 3.263
13SER OG 185 2.677 1.574 3.112
13SER HG 186 2.663 1.505 3.177
13SER C 187 2.944 1.584 2.983
13SER O 188 3.050 1.523 3.005
14SER N 189 2.888 1.586 2.867
14SER H 190 2.823 1.662 2.853
14SER CA 191 2.941 1.509 2.755
14SER HA 192 2.971 1.407 2.782
14SER CB 193 2.816 1.486 2.657
14SER HB1 194 2.799 1.578 2.600
14SER HB2 195 2.729 1.464 2.719
14SER OG 196 2.818 1.379 2.568
14SER HG 197 2.730 1.365 2.532
14SER C 198 3.064 1.568 2.687
14SER O 199 3.115 1.490 2.606
15GLY N 200 3.120 1.680 2.716
15GLY H 201 3.080 1.727 2.795
15GLY CA 202 3.244 1.749 2.661
15GLY HA1 203 3.325 1.679 2.646
15GLY HA2 204 3.276 1.817 2.740
15GLY C 205 3.228 1.826 2.532
15GLY O 206 3.319 1.904 2.496
16ARG N 207 3.117 1.806 2.457
16ARG H 208 3.042 1.762 2.508
16ARG CA 209 3.089 1.870 2.334
16ARG HA 210 3.177 1.842 2.275
16ARG CB 211 2.974 1.801 2.260
16ARG HB1 212 3.003 1.697 2.247
16ARG HB2 213 2.983 1.853 2.164
16ARG CG 214 2.828 1.811 2.314
16ARG HG1 215 2.793 1.913 2.329
16ARG HG2 216 2.809 1.764 2.410
16ARG CD 217 2.723 1.745 2.231
16ARG HD1 218 2.634 1.726 2.291
16ARG HD2 219 2.767 1.649 2.206
16ARG NE 220 2.696 1.813 2.106
16ARG HE 221 2.765 1.826 2.034
16ARG CZ 222 2.580 1.856 2.063
16ARG NH1 223 2.465 1.852 2.119
16ARG HH11 224 2.470 1.787 2.196
16ARG HH12 225 2.392 1.857 2.050
16ARG NH2 226 2.585 1.903 1.942
16ARG HH21 227 2.681 1.909 1.911
16ARG HH22 228 2.504 1.913 1.883
16ARG C 229 3.068 2.019 2.357
16ARG O 230 2.992 2.058 2.444
17PRO N 231 3.147 2.104 2.282
17PRO CD 232 3.270 2.064 2.210
17PRO HD1 233 3.253 1.999 2.124
17PRO HD2 234 3.335 2.019 2.285
17PRO CG 235 3.334 2.192 2.150
17PRO HG1 236 3.346 2.206 2.042
17PRO HG2 237 3.434 2.204 2.192
17PRO CB 238 3.245 2.309 2.200
17PRO HB1 239 3.192 2.336 2.109
17PRO HB2 240 3.298 2.390 2.249
17PRO CA 241 3.141 2.252 2.302
17PRO HA 242 3.172 2.284 2.401
17PRO C 243 3.002 2.300 2.264
17PRO O 244 2.919 2.239 2.201
18PRO N 245 2.974 2.425 2.312
18PRO CD 246 3.048 2.517 2.399
18PRO HD1 247 3.108 2.590 2.345
18PRO HD2 248 3.108 2.460 2.470
18PRO CG 249 2.941 2.592 2.476
18PRO HG1 250 2.983 2.690 2.499
18PRO HG2 251 2.929 2.536 2.569
18PRO CB 252 2.823 2.602 2.379
18PRO HB1 253 2.817 2.700 2.334
18PRO HB2 254 2.726 2.587 2.426
18PRO CA 255 2.842 2.488 2.278
18PRO HA 256 2.757 2.425 2.299
18PRO C 257 2.816 2.539 2.137
18PRO O 258 2.909 2.566 2.075
19PRO N 259 2.693 2.535 2.083
19PRO CD 260 2.575 2.475 2.137
19PRO HD1 261 2.563 2.485 2.245
19PRO HD2 262 2.574 2.367 2.121
19PRO CG 263 2.459 2.545 2.058
19PRO HG1 264 2.427 2.643 2.095
19PRO HG2 265 2.370 2.482 2.053
19PRO CB 266 2.515 2.564 1.920
19PRO HB1 267 2.455 2.636 1.865
19PRO HB2 268 2.512 2.470 1.865
19PRO CA 269 2.660 2.612 1.958
19PRO HA 270 2.723 2.580 1.875
19PRO C 271 2.666 2.769 1.973
19PRO O 272 2.632 2.818 2.076
20SER N 273 2.707 2.838 1.862
20SER H 274 2.718 2.786 1.776
20SER CA 275 2.717 2.987 1.853
20SER HA 276 2.667 3.023 1.943
20SER CB 277 2.863 3.044 1.860
20SER HB1 278 2.870 3.152 1.871
20SER HB2 279 2.917 3.016 1.770
20SER OG 280 2.931 2.987 1.973
20SER HG 281 2.882 3.004 2.055
20SER C 282 2.645 3.039 1.731
20SER OC1 283 2.608 3.160 1.726
20SER OC2 284 2.624 2.965 1.632
4.47780 4.47780 4.47780