Atom order identical to sampletrajectory.pdb 115 242ASP N 1 4.235 5.110 2.553 242ASP CA 2 4.283 5.240 2.511 242ASP C 7 4.171 5.307 2.430 242ASP O 8 4.059 5.256 2.420 242ASP CB 3 4.417 5.224 2.435 242ASP CG 4 4.419 5.141 2.306 242ASP OD1 5 4.524 5.108 2.260 242ASP OD2 6 4.306 5.126 2.244 242ASP H 9 4.178 5.063 2.484 243SER N 10 4.204 5.420 2.367 243SER CA 11 4.117 5.493 2.275 243SER C 14 4.072 5.409 2.156 243SER O 15 3.959 5.424 2.110 243SER CB 12 4.194 5.615 2.220 243SER OG 13 4.219 5.716 2.316 243SER H 16 4.297 5.456 2.382 243SER HG 17 4.257 5.789 2.267 244LYS N 18 4.159 5.319 2.107 244LYS CA 19 4.129 5.233 1.995 244LYS C 25 4.023 5.129 2.035 244LYS O 26 3.930 5.106 1.958 244LYS CB 20 4.254 5.161 1.941 244LYS CG 21 4.239 5.124 1.792 244LYS CD 22 4.349 5.040 1.734 244LYS CE 23 4.312 4.989 1.594 244LYS NZ 24 4.433 4.980 1.512 244LYS H 27 4.241 5.293 2.162 244LYS HZ1 28 4.408 4.943 1.420 244LYS HZ2 29 4.470 5.073 1.503 244LYS HZ3 30 4.499 4.919 1.558 245PHE N 31 4.036 5.069 2.154 245PHE CA 32 3.941 4.974 2.212 245PHE C 40 3.799 5.032 2.217 245PHE O 41 3.706 4.970 2.166 245PHE CB 33 3.989 4.927 2.351 245PHE CG 34 3.900 4.826 2.421 245PHE CD1 35 3.797 4.869 2.507 245PHE CD2 36 3.915 4.689 2.395 245PHE CE1 37 3.708 4.775 2.563 245PHE CE2 38 3.826 4.595 2.451 245PHE CZ 39 3.721 4.639 2.534 245PHE H 42 4.120 5.094 2.208 246TYR N 43 3.783 5.153 2.273 246TYR CA 44 3.653 5.219 2.288 246TYR C 53 3.583 5.247 2.157 246TYR O 54 3.463 5.227 2.144 246TYR CB 45 3.666 5.352 2.363 246TYR CG 46 3.702 5.334 2.508 246TYR CD1 47 3.822 5.382 2.562 246TYR CD2 48 3.617 5.255 2.586 246TYR CE1 49 3.857 5.351 2.695 246TYR CE2 50 3.658 5.214 2.713 246TYR CZ 51 3.775 5.266 2.770 246TYR OH 52 3.807 5.238 2.899 246TYR H 55 3.865 5.197 2.312 246TYR HH 56 3.733 5.194 2.941 247LYS N 57 3.661 5.295 2.060 247LYS CA 58 3.616 5.318 1.924 247LYS C 64 3.573 5.186 1.858 247LYS O 65 3.468 5.183 1.795 247LYS CB 59 3.732 5.384 1.848 247LYS CG 60 3.696 5.423 1.704 247LYS CD 61 3.813 5.442 1.610 247LYS CE 62 3.793 5.543 1.499 247LYS NZ 63 3.925 5.598 1.471 247LYS H 66 3.760 5.307 2.080 247LYS HZ1 67 3.913 5.678 1.410 247LYS HZ2 68 3.967 5.631 1.556 247LYS HZ3 69 3.981 5.528 1.423 248MET N 70 3.652 5.078 1.873 248MET CA 71 3.625 4.950 1.809 248MET C 76 3.500 4.882 1.865 248MET O 77 3.418 4.832 1.788 248MET CB 72 3.747 4.857 1.820 248MET CG 73 3.853 4.894 1.715 248MET SD 74 3.997 4.784 1.707 248MET CE 75 4.070 4.807 1.870 248MET H 78 3.737 5.087 1.927 249ILE N 79 3.481 4.882 1.998 249ILE CA 80 3.358 4.831 2.059 249ILE C 85 3.234 4.908 2.008 249ILE O 86 3.132 4.845 1.979 249ILE CB 81 3.370 4.829 2.214 249ILE CG1 82 3.483 4.735 2.262 249ILE CG2 83 3.240 4.790 2.288 249ILE CD 84 3.460 4.587 2.232 249ILE H 87 3.551 4.924 2.057 250LYS N 88 3.248 5.041 1.990 250LYS CA 89 3.142 5.130 1.943 250LYS C 95 3.117 5.111 1.793 250LYS O 96 3.003 5.118 1.749 250LYS CB 90 3.183 5.277 1.972 250LYS CG 91 3.064 5.373 1.988 250LYS CD 92 3.107 5.509 2.043 250LYS CE 93 3.002 5.619 2.024 250LYS NZ 94 3.052 5.725 1.934 250LYS H 97 3.334 5.084 2.021 250LYS HZ1 98 2.977 5.787 1.909 250LYS HZ2 99 3.128 5.777 1.975 250LYS HZ3 100 3.083 5.682 1.848 251GLU N 101 3.221 5.080 1.715 251GLU CA 102 3.210 5.044 1.574 251GLU C 108 3.133 4.913 1.556 251GLU O 109 3.061 4.899 1.457 251GLU CB 103 3.350 5.024 1.513 251GLU CG 104 3.404 5.146 1.438 251GLU CD 105 3.557 5.148 1.424 251GLU OE1 106 3.628 5.079 1.501 251GLU OE2 107 3.607 5.213 1.332 251GLU H 110 3.314 5.081 1.756 252GLY N 111 3.146 4.821 1.651 252GLY CA 112 3.082 4.691 1.644 252GLY C 113 3.177 4.574 1.658 252GLY O 114 3.132 4.461 1.644 252GLY H 115 3.202 4.845 1.731 1.54700 1.33959 1.60900