REMARK FILENAME="accept_1.pdb" REMARK =============================================================== REMARK DATE:24-Sep-2013 17:40:50 created by user: PAL REMARK VERSION:1.21 ATOM 1 O BOC 1 12.019 -1.933 1.776 1.00 0.00 ATOM 2 C BOC 1 10.905 -2.452 1.835 1.00 0.00 ATOM 3 O2 BOC 1 10.638 -3.773 1.748 1.00 0.00 ATOM 4 CQ BOC 1 11.072 -4.698 2.803 1.00 0.00 ATOM 5 C1 BOC 1 12.594 -4.649 2.933 1.00 0.00 ATOM 6 C2 BOC 1 10.437 -4.293 4.133 1.00 0.00 ATOM 7 C3 BOC 1 10.625 -6.100 2.415 1.00 0.00 ATOM 8 H11 BOC 1 13.040 -5.129 2.077 1.00 0.00 ATOM 9 H12 BOC 1 12.892 -5.165 3.833 1.00 0.00 ATOM 10 H13 BOC 1 12.926 -3.621 2.982 1.00 0.00 ATOM 11 H21 BOC 1 10.263 -3.229 4.135 1.00 0.00 ATOM 12 H22 BOC 1 11.103 -4.552 4.940 1.00 0.00 ATOM 13 H23 BOC 1 9.497 -4.812 4.263 1.00 0.00 ATOM 14 H31 BOC 1 9.757 -6.033 1.778 1.00 0.00 ATOM 15 H32 BOC 1 10.378 -6.655 3.306 1.00 0.00 ATOM 16 H33 BOC 1 11.421 -6.606 1.886 1.00 0.00 ATOM 17 N ASPH 2 9.782 -1.757 1.990 1.00 0.00 ATOM 18 HN ASPH 2 8.940 -2.247 2.103 1.00 0.00 ATOM 19 CA ASPH 2 9.815 -0.340 2.333 1.00 0.00 ATOM 20 HA ASPH 2 8.794 0.008 2.398 1.00 0.00 ATOM 21 CB ASPH 2 10.498 -0.136 3.686 1.00 0.00 ATOM 22 HB1 ASPH 2 11.039 0.799 3.673 1.00 0.00 ATOM 23 HB2 ASPH 2 11.192 -0.946 3.858 1.00 0.00 ATOM 24 CG ASPH 2 9.508 -0.102 4.834 1.00 0.00 ATOM 25 OD1 ASPH 2 8.457 -0.768 4.732 1.00 0.00 ATOM 26 OD2 ASPH 2 9.785 0.591 5.836 1.00 0.00 ATOM 27 HD ASPH 2 8.507 -1.433 5.209 1.00 0.00 ATOM 28 C ASPH 2 10.539 0.464 1.256 1.00 0.00 ATOM 29 O ASPH 2 11.710 0.809 1.409 1.00 0.00 ATOM 30 N DPRO 3 9.845 0.775 0.149 1.00 0.00 ATOM 31 CA DPRO 3 10.427 1.542 -0.952 1.00 0.00 ATOM 32 HA DPRO 3 10.634 2.565 -0.650 1.00 0.00 ATOM 33 CB DPRO 3 9.336 1.544 -2.022 1.00 0.00 ATOM 34 HB1 DPRO 3 9.786 1.453 -2.999 1.00 0.00 ATOM 35 HB2 DPRO 3 8.774 2.465 -1.964 1.00 0.00 ATOM 36 CG DPRO 3 8.485 0.363 -1.705 1.00 0.00 ATOM 37 HG1 DPRO 3 8.885 -0.518 -2.185 1.00 0.00 ATOM 38 HG2 DPRO 3 7.472 0.543 -2.031 1.00 0.00 ATOM 39 CD DPRO 3 8.532 0.208 -0.210 1.00 0.00 ATOM 40 HD1 DPRO 3 8.476 -0.834 0.063 1.00 0.00 ATOM 41 HD2 DPRO 3 7.732 0.765 0.254 1.00 0.00 ATOM 42 C DPRO 3 11.692 0.878 -1.496 1.00 0.00 ATOM 43 O DPRO 3 11.619 0.020 -2.376 1.00 0.00 ATOM 44 N THRB 4 12.842 1.430 -1.125 1.00 0.00 ATOM 45 HN THRB 4 12.827 2.215 -0.537 1.00 0.00 ATOM 46 CA THRB 4 14.125 0.898 -1.569 1.00 0.00 ATOM 47 HA THRB 4 13.994 -0.153 -1.775 1.00 0.00 ATOM 48 CB THRB 4 14.578 1.605 -2.849 1.00 0.00 ATOM 49 HB THRB 4 15.652 1.526 -2.935 1.00 0.00 ATOM 50 OG1 THRB 4 14.212 2.976 -2.661 1.00 0.00 ATOM 51 CG2 THRB 4 13.976 1.021 -4.108 1.00 0.00 ATOM 52 HG21 THRB 4 14.176 1.678 -4.941 1.00 0.00 ATOM 53 HG22 THRB 4 12.908 0.916 -3.981 1.00 0.00 ATOM 54 HG23 THRB 4 14.412 0.052 -4.300 1.00 0.00 ATOM 55 C THRB 4 15.183 1.057 -0.480 1.00 0.00 ATOM 56 O THRB 4 16.138 1.818 -0.640 1.00 0.00 ATOM 57 CD THRB 4 15.290 3.915 -2.696 1.00 0.00 ATOM 58 HD1 THRB 4 16.125 3.525 -2.131 1.00 0.00 ATOM 59 HD2 THRB 4 15.595 4.077 -3.717 1.00 0.00 ATOM 60 CE THRB 4 14.894 5.243 -2.115 1.00 0.00 ATOM 61 CZ1 THRB 4 14.254 5.314 -0.888 1.00 0.00 ATOM 62 HZ1 THRB 4 14.041 4.403 -0.348 1.00 0.00 ATOM 63 CZ2 THRB 4 15.162 6.420 -2.796 1.00 0.00 ATOM 64 HZ2 THRB 4 15.661 6.376 -3.753 1.00 0.00 ATOM 65 CH1 THRB 4 13.888 6.534 -0.351 1.00 0.00 ATOM 66 HH1 THRB 4 13.390 6.575 0.606 1.00 0.00 ATOM 67 CH2 THRB 4 14.799 7.643 -2.264 1.00 0.00 ATOM 68 HH2 THRB 4 15.013 8.552 -2.806 1.00 0.00 ATOM 69 CTH THRB 4 14.161 7.700 -1.041 1.00 0.00 ATOM 70 HTH THRB 4 13.877 8.655 -0.623 1.00 0.00 ATOM 71 N ASNT 5 14.893 0.507 0.695 1.00 0.00 ATOM 72 HN ASNT 5 14.039 0.039 0.805 1.00 0.00 ATOM 73 CA ASNT 5 15.814 0.582 1.823 1.00 0.00 ATOM 74 HA ASNT 5 16.699 1.107 1.494 1.00 0.00 ATOM 75 CB ASNT 5 15.176 1.356 2.977 1.00 0.00 ATOM 76 HB1 ASNT 5 14.405 0.749 3.427 1.00 0.00 ATOM 77 HB2 ASNT 5 14.736 2.264 2.592 1.00 0.00 ATOM 78 CG ASNT 5 16.182 1.730 4.050 1.00 0.00 ATOM 79 OD1 ASNT 5 17.391 1.758 3.823 1.00 0.00 ATOM 80 ND2 ASNT 5 15.642 2.029 5.228 1.00 0.00 ATOM 81 HD1 ASNT 5 14.666 1.995 5.314 1.00 0.00 ATOM 82 CQ ASNT 5 16.361 2.420 6.477 1.00 0.00 ATOM 83 CG1 ASNT 5 17.085 1.135 6.940 1.00 0.00 ATOM 84 CD11 ASNT 5 16.411 0.179 7.686 1.00 0.00 ATOM 85 HD11 ASNT 5 15.404 0.381 8.020 1.00 0.00 ATOM 86 CD12 ASNT 5 18.377 0.861 6.516 1.00 0.00 ATOM 87 HD12 ASNT 5 18.912 1.596 5.934 1.00 0.00 ATOM 88 CE11 ASNT 5 17.014 -1.023 8.003 1.00 0.00 ATOM 89 HE11 ASNT 5 16.478 -1.758 8.585 1.00 0.00 ATOM 90 CE12 ASNT 5 18.984 -0.340 6.832 1.00 0.00 ATOM 91 HE12 ASNT 5 19.953 -0.579 6.419 1.00 0.00 ATOM 92 CZ1 ASNT 5 18.302 -1.283 7.577 1.00 0.00 ATOM 93 HZ1 ASNT 5 18.774 -2.222 7.824 1.00 0.00 ATOM 94 CG2 ASNT 5 15.275 2.903 7.467 1.00 0.00 ATOM 95 CD21 ASNT 5 15.440 2.724 8.832 1.00 0.00 ATOM 96 HD21 ASNT 5 16.287 2.161 9.195 1.00 0.00 ATOM 97 CD22 ASNT 5 14.183 3.628 7.016 1.00 0.00 ATOM 98 HD22 ASNT 5 14.046 3.774 5.954 1.00 0.00 ATOM 99 CE21 ASNT 5 14.532 3.256 9.728 1.00 0.00 ATOM 100 HE21 ASNT 5 14.671 3.109 10.789 1.00 0.00 ATOM 101 CE22 ASNT 5 13.272 4.162 7.907 1.00 0.00 ATOM 102 HE22 ASNT 5 12.379 4.647 7.540 1.00 0.00 ATOM 103 CZ2 ASNT 5 13.447 3.975 9.265 1.00 0.00 ATOM 104 HZ2 ASNT 5 12.737 4.392 9.964 1.00 0.00 ATOM 105 CG3 ASNT 5 17.339 3.555 6.090 1.00 0.00 ATOM 106 CD31 ASNT 5 17.057 4.399 5.026 1.00 0.00 ATOM 107 HD31 ASNT 5 16.194 4.202 4.407 1.00 0.00 ATOM 108 CD32 ASNT 5 18.448 3.821 6.877 1.00 0.00 ATOM 109 HD32 ASNT 5 18.677 3.171 7.708 1.00 0.00 ATOM 110 CE31 ASNT 5 17.867 5.484 4.752 1.00 0.00 ATOM 111 HE31 ASNT 5 17.638 6.133 3.920 1.00 0.00 ATOM 112 CE32 ASNT 5 19.263 4.905 6.607 1.00 0.00 ATOM 113 HE32 ASNT 5 20.177 5.044 7.166 1.00 0.00 ATOM 114 CZ3 ASNT 5 18.972 5.737 5.543 1.00 0.00 ATOM 115 HZ3 ASNT 5 19.606 6.584 5.329 1.00 0.00 ATOM 116 C ASNT 5 16.218 -0.814 2.291 1.00 0.00 ATOM 117 O ASNT 5 16.342 -1.059 3.491 1.00 0.00 ATOM 118 N TYRT 6 16.208 -1.765 1.362 1.00 0.00 ATOM 119 HN TYRT 6 15.952 -1.535 0.445 1.00 0.00 ATOM 120 CA TYRT 6 16.573 -3.141 1.675 1.00 0.00 ATOM 121 HA TYRT 6 16.597 -3.243 2.750 1.00 0.00 ATOM 122 CB TYRT 6 15.534 -4.108 1.107 1.00 0.00 ATOM 123 HB1 TYRT 6 14.587 -3.937 1.598 1.00 0.00 ATOM 124 HB2 TYRT 6 15.853 -5.122 1.297 1.00 0.00 ATOM 125 CG TYRT 6 15.319 -3.963 -0.383 1.00 0.00 ATOM 126 CD1 TYRT 6 16.038 -4.738 -1.287 1.00 0.00 ATOM 127 HD1 TYRT 6 16.758 -5.451 -0.912 1.00 0.00 ATOM 128 CD2 TYRT 6 14.397 -3.051 -0.885 1.00 0.00 ATOM 129 HD2 TYRT 6 13.831 -2.442 -0.195 1.00 0.00 ATOM 130 CE1 TYRT 6 15.845 -4.607 -2.650 1.00 0.00 ATOM 131 HE1 TYRT 6 16.411 -5.217 -3.337 1.00 0.00 ATOM 132 CE2 TYRT 6 14.197 -2.915 -2.246 1.00 0.00 ATOM 133 HE2 TYRT 6 13.478 -2.201 -2.619 1.00 0.00 ATOM 134 CZ TYRT 6 14.925 -3.695 -3.117 1.00 0.00 ATOM 135 O2 TYRT 6 14.620 -3.669 -4.474 1.00 0.00 ATOM 136 CQ TYRT 6 13.470 -4.424 -4.987 1.00 0.00 ATOM 137 C1 TYRT 6 12.195 -3.959 -4.282 1.00 0.00 ATOM 138 C2 TYRT 6 13.332 -4.186 -6.490 1.00 0.00 ATOM 139 C3 TYRT 6 13.712 -5.901 -4.711 1.00 0.00 ATOM 140 H11 TYRT 6 11.346 -4.477 -4.702 1.00 0.00 ATOM 141 H12 TYRT 6 12.077 -2.897 -4.425 1.00 0.00 ATOM 142 H13 TYRT 6 12.261 -4.175 -3.225 1.00 0.00 ATOM 143 H21 TYRT 6 13.665 -3.187 -6.724 1.00 0.00 ATOM 144 H22 TYRT 6 12.299 -4.300 -6.776 1.00 0.00 ATOM 145 H23 TYRT 6 13.936 -4.901 -7.031 1.00 0.00 ATOM 146 H31 TYRT 6 13.390 -6.134 -3.707 1.00 0.00 ATOM 147 H32 TYRT 6 14.764 -6.114 -4.811 1.00 0.00 ATOM 148 H33 TYRT 6 13.155 -6.503 -5.415 1.00 0.00 ATOM 149 C TYRT 6 17.954 -3.477 1.119 1.00 0.00 ATOM 150 O TYRT 6 18.225 -4.620 0.752 1.00 0.00 ATOM 151 N GLY 7 18.823 -2.473 1.061 1.00 0.00 ATOM 152 HN GLY 7 18.550 -1.583 1.369 1.00 0.00 ATOM 153 CA GLY 7 20.164 -2.681 0.550 1.00 0.00 ATOM 154 HA1 GLY 7 20.115 -2.792 -0.523 1.00 0.00 ATOM 155 HA2 GLY 7 20.563 -3.590 0.976 1.00 0.00 ATOM 156 C GLY 7 21.096 -1.533 0.883 1.00 0.00 ATOM 157 O GLY 7 21.167 -1.068 2.021 1.00 0.00 ATOM 158 O2 OME 8 21.704 -1.053 -0.225 1.00 0.00 ATOM 159 C1 OME 8 22.545 0.074 -0.033 1.00 0.00 ATOM 160 H1 OME 8 23.465 -0.235 0.435 1.00 0.00 ATOM 161 H2 OME 8 22.051 0.794 0.599 1.00 0.00 ATOM 162 H3 OME 8 22.777 0.543 -0.981 1.00 0.00 END REMARK FILENAME="accept_2.pdb" REMARK =============================================================== REMARK DATE:24-Sep-2013 17:40:50 created by user: PAL REMARK VERSION:1.21 ATOM 1 O BOC 1 9.372 -1.121 4.299 1.00 0.00 ATOM 2 C BOC 1 10.516 -1.186 3.848 1.00 0.00 ATOM 3 O2 BOC 1 11.523 -1.942 4.341 1.00 0.00 ATOM 4 CQ BOC 1 11.237 -3.137 5.145 1.00 0.00 ATOM 5 C1 BOC 1 10.439 -2.741 6.387 1.00 0.00 ATOM 6 C2 BOC 1 10.424 -4.131 4.315 1.00 0.00 ATOM 7 C3 BOC 1 12.565 -3.759 5.552 1.00 0.00 ATOM 8 H11 BOC 1 10.596 -3.477 7.160 1.00 0.00 ATOM 9 H12 BOC 1 9.391 -2.695 6.138 1.00 0.00 ATOM 10 H13 BOC 1 10.768 -1.773 6.741 1.00 0.00 ATOM 11 H21 BOC 1 11.037 -4.512 3.514 1.00 0.00 ATOM 12 H22 BOC 1 9.563 -3.629 3.903 1.00 0.00 ATOM 13 H23 BOC 1 10.098 -4.950 4.940 1.00 0.00 ATOM 14 H31 BOC 1 13.321 -3.487 4.834 1.00 0.00 ATOM 15 H32 BOC 1 12.462 -4.833 5.580 1.00 0.00 ATOM 16 H33 BOC 1 12.853 -3.401 6.531 1.00 0.00 ATOM 17 N ASPH 2 10.928 -0.491 2.792 1.00 0.00 ATOM 18 HN ASPH 2 11.831 -0.653 2.448 1.00 0.00 ATOM 19 CA ASPH 2 9.978 0.224 1.948 1.00 0.00 ATOM 20 HA ASPH 2 9.084 -0.374 1.874 1.00 0.00 ATOM 21 CB ASPH 2 9.623 1.573 2.576 1.00 0.00 ATOM 22 HB1 ASPH 2 10.273 2.335 2.170 1.00 0.00 ATOM 23 HB2 ASPH 2 9.767 1.515 3.644 1.00 0.00 ATOM 24 CG ASPH 2 8.186 1.976 2.307 1.00 0.00 ATOM 25 OD1 ASPH 2 7.613 1.497 1.306 1.00 0.00 ATOM 26 OD2 ASPH 2 7.635 2.768 3.099 1.00 0.00 ATOM 27 HD ASPH 2 7.674 2.024 0.680 1.00 0.00 ATOM 28 C ASPH 2 10.548 0.437 0.547 1.00 0.00 ATOM 29 O ASPH 2 11.182 1.455 0.273 1.00 0.00 ATOM 30 N DPRO 3 10.327 -0.528 -0.364 1.00 0.00 ATOM 31 CA DPRO 3 10.824 -0.434 -1.735 1.00 0.00 ATOM 32 HA DPRO 3 10.626 0.546 -2.160 1.00 0.00 ATOM 33 CB DPRO 3 10.012 -1.484 -2.489 1.00 0.00 ATOM 34 HB1 DPRO 3 10.619 -1.925 -3.264 1.00 0.00 ATOM 35 HB2 DPRO 3 9.138 -1.022 -2.925 1.00 0.00 ATOM 36 CG DPRO 3 9.641 -2.486 -1.452 1.00 0.00 ATOM 37 HG1 DPRO 3 10.430 -3.217 -1.349 1.00 0.00 ATOM 38 HG2 DPRO 3 8.714 -2.969 -1.723 1.00 0.00 ATOM 39 CD DPRO 3 9.473 -1.716 -0.170 1.00 0.00 ATOM 40 HD1 DPRO 3 9.815 -2.303 0.670 1.00 0.00 ATOM 41 HD2 DPRO 3 8.440 -1.430 -0.035 1.00 0.00 ATOM 42 C DPRO 3 12.313 -0.767 -1.823 1.00 0.00 ATOM 43 O DPRO 3 12.686 -1.928 -1.991 1.00 0.00 ATOM 44 N THRB 4 13.136 0.273 -1.923 1.00 0.00 ATOM 45 HN THRB 4 12.761 1.178 -1.937 1.00 0.00 ATOM 46 CA THRB 4 14.581 0.099 -2.013 1.00 0.00 ATOM 47 HA THRB 4 14.794 -0.955 -1.915 1.00 0.00 ATOM 48 CB THRB 4 15.091 0.585 -3.372 1.00 0.00 ATOM 49 HB THRB 4 16.103 0.943 -3.262 1.00 0.00 ATOM 50 OG1 THRB 4 14.235 1.679 -3.715 1.00 0.00 ATOM 51 CG2 THRB 4 15.101 -0.490 -4.436 1.00 0.00 ATOM 52 HG21 THRB 4 14.612 -0.122 -5.326 1.00 0.00 ATOM 53 HG22 THRB 4 14.575 -1.362 -4.072 1.00 0.00 ATOM 54 HG23 THRB 4 16.120 -0.756 -4.670 1.00 0.00 ATOM 55 C THRB 4 15.290 0.848 -0.889 1.00 0.00 ATOM 56 O THRB 4 16.159 1.684 -1.142 1.00 0.00 ATOM 57 CD THRB 4 14.612 2.946 -3.171 1.00 0.00 ATOM 58 HD1 THRB 4 14.542 2.909 -2.092 1.00 0.00 ATOM 59 HD2 THRB 4 15.627 3.174 -3.454 1.00 0.00 ATOM 60 CE THRB 4 13.730 4.054 -3.673 1.00 0.00 ATOM 61 CZ1 THRB 4 14.113 4.822 -4.761 1.00 0.00 ATOM 62 HZ1 THRB 4 15.054 4.617 -5.250 1.00 0.00 ATOM 63 CZ2 THRB 4 12.520 4.328 -3.056 1.00 0.00 ATOM 64 HZ2 THRB 4 12.213 3.735 -2.208 1.00 0.00 ATOM 65 CH1 THRB 4 13.304 5.843 -5.225 1.00 0.00 ATOM 66 HH1 THRB 4 13.614 6.434 -6.074 1.00 0.00 ATOM 67 CH2 THRB 4 11.708 5.347 -3.516 1.00 0.00 ATOM 68 HH2 THRB 4 10.767 5.550 -3.026 1.00 0.00 ATOM 69 CTH THRB 4 12.100 6.105 -4.601 1.00 0.00 ATOM 70 HTH THRB 4 11.466 6.902 -4.962 1.00 0.00 ATOM 71 N ASNT 5 14.767 0.703 0.325 1.00 0.00 ATOM 72 HN ASNT 5 13.975 0.138 0.439 1.00 0.00 ATOM 73 CA ASNT 5 15.344 1.362 1.491 1.00 0.00 ATOM 74 HA ASNT 5 16.178 1.959 1.155 1.00 0.00 ATOM 75 CB ASNT 5 14.309 2.281 2.145 1.00 0.00 ATOM 76 HB1 ASNT 5 14.409 2.221 3.220 1.00 0.00 ATOM 77 HB2 ASNT 5 13.319 1.957 1.862 1.00 0.00 ATOM 78 CG ASNT 5 14.476 3.729 1.729 1.00 0.00 ATOM 79 OD1 ASNT 5 14.606 4.053 0.549 1.00 0.00 ATOM 80 ND2 ASNT 5 14.454 4.597 2.738 1.00 0.00 ATOM 81 HD1 ASNT 5 14.329 4.250 3.646 1.00 0.00 ATOM 82 CQ ASNT 5 14.588 6.081 2.653 1.00 0.00 ATOM 83 CG1 ASNT 5 14.752 6.583 4.107 1.00 0.00 ATOM 84 CD11 ASNT 5 15.485 5.849 5.026 1.00 0.00 ATOM 85 HD11 ASNT 5 15.865 4.877 4.748 1.00 0.00 ATOM 86 CD12 ASNT 5 14.272 7.830 4.478 1.00 0.00 ATOM 87 HD12 ASNT 5 13.700 8.410 3.770 1.00 0.00 ATOM 88 CE11 ASNT 5 15.734 6.349 6.291 1.00 0.00 ATOM 89 HE11 ASNT 5 16.307 5.767 6.998 1.00 0.00 ATOM 90 CE12 ASNT 5 14.517 8.333 5.742 1.00 0.00 ATOM 91 HE12 ASNT 5 14.217 9.342 5.987 1.00 0.00 ATOM 92 CZ1 ASNT 5 15.250 7.591 6.648 1.00 0.00 ATOM 93 HZ1 ASNT 5 15.443 7.983 7.636 1.00 0.00 ATOM 94 CG2 ASNT 5 13.280 6.561 1.982 1.00 0.00 ATOM 95 CD21 ASNT 5 13.197 6.682 0.603 1.00 0.00 ATOM 96 HD21 ASNT 5 14.083 6.528 0.003 1.00 0.00 ATOM 97 CD22 ASNT 5 12.135 6.760 2.739 1.00 0.00 ATOM 98 HD22 ASNT 5 12.186 6.668 3.813 1.00 0.00 ATOM 99 CE21 ASNT 5 11.999 6.997 -0.008 1.00 0.00 ATOM 100 HE21 ASNT 5 11.948 7.089 -1.082 1.00 0.00 ATOM 101 CE22 ASNT 5 10.933 7.076 2.132 1.00 0.00 ATOM 102 HE22 ASNT 5 10.073 7.322 2.738 1.00 0.00 ATOM 103 CZ2 ASNT 5 10.866 7.194 0.758 1.00 0.00 ATOM 104 HZ2 ASNT 5 9.928 7.439 0.281 1.00 0.00 ATOM 105 CG3 ASNT 5 15.844 6.367 1.797 1.00 0.00 ATOM 106 CD31 ASNT 5 15.988 7.586 1.153 1.00 0.00 ATOM 107 HD31 ASNT 5 15.177 8.297 1.177 1.00 0.00 ATOM 108 CD32 ASNT 5 16.894 5.463 1.759 1.00 0.00 ATOM 109 HD32 ASNT 5 16.791 4.510 2.258 1.00 0.00 ATOM 110 CE31 ASNT 5 17.156 7.895 0.483 1.00 0.00 ATOM 111 HE31 ASNT 5 17.258 8.848 -0.016 1.00 0.00 ATOM 112 CE32 ASNT 5 18.064 5.766 1.089 1.00 0.00 ATOM 113 HE32 ASNT 5 18.909 5.097 1.152 1.00 0.00 ATOM 114 CZ3 ASNT 5 18.195 6.985 0.451 1.00 0.00 ATOM 115 HZ3 ASNT 5 19.108 7.225 -0.073 1.00 0.00 ATOM 116 C ASNT 5 15.850 0.336 2.503 1.00 0.00 ATOM 117 O ASNT 5 15.746 0.545 3.712 1.00 0.00 ATOM 118 N TYRT 6 16.198 -0.849 2.008 1.00 0.00 ATOM 119 HN TYRT 6 16.117 -1.008 1.045 1.00 0.00 ATOM 120 CA TYRT 6 16.699 -1.916 2.866 1.00 0.00 ATOM 121 HA TYRT 6 17.041 -1.468 3.787 1.00 0.00 ATOM 122 CB TYRT 6 15.582 -2.912 3.182 1.00 0.00 ATOM 123 HB1 TYRT 6 14.863 -2.440 3.834 1.00 0.00 ATOM 124 HB2 TYRT 6 16.005 -3.770 3.683 1.00 0.00 ATOM 125 CG TYRT 6 14.847 -3.407 1.957 1.00 0.00 ATOM 126 CD1 TYRT 6 15.396 -4.392 1.144 1.00 0.00 ATOM 127 HD1 TYRT 6 16.362 -4.803 1.396 1.00 0.00 ATOM 128 CD2 TYRT 6 13.602 -2.889 1.614 1.00 0.00 ATOM 129 HD2 TYRT 6 13.162 -2.123 2.236 1.00 0.00 ATOM 130 CE1 TYRT 6 14.727 -4.847 0.023 1.00 0.00 ATOM 131 HE1 TYRT 6 15.168 -5.613 -0.598 1.00 0.00 ATOM 132 CE2 TYRT 6 12.926 -3.339 0.496 1.00 0.00 ATOM 133 HE2 TYRT 6 11.960 -2.926 0.244 1.00 0.00 ATOM 134 CZ TYRT 6 13.496 -4.315 -0.291 1.00 0.00 ATOM 135 O2 TYRT 6 12.756 -4.875 -1.326 1.00 0.00 ATOM 136 CQ TYRT 6 11.911 -6.052 -1.078 1.00 0.00 ATOM 137 C1 TYRT 6 10.890 -5.730 0.013 1.00 0.00 ATOM 138 C2 TYRT 6 11.177 -6.432 -2.363 1.00 0.00 ATOM 139 C3 TYRT 6 12.813 -7.195 -0.632 1.00 0.00 ATOM 140 H11 TYRT 6 9.986 -6.287 -0.170 1.00 0.00 ATOM 141 H12 TYRT 6 10.674 -4.673 -0.003 1.00 0.00 ATOM 142 H13 TYRT 6 11.291 -6.000 0.981 1.00 0.00 ATOM 143 H21 TYRT 6 10.664 -5.566 -2.750 1.00 0.00 ATOM 144 H22 TYRT 6 10.462 -7.210 -2.147 1.00 0.00 ATOM 145 H23 TYRT 6 11.885 -6.790 -3.098 1.00 0.00 ATOM 146 H31 TYRT 6 12.894 -7.186 0.443 1.00 0.00 ATOM 147 H32 TYRT 6 13.791 -7.068 -1.069 1.00 0.00 ATOM 148 H33 TYRT 6 12.396 -8.139 -0.954 1.00 0.00 ATOM 149 C TYRT 6 17.869 -2.639 2.207 1.00 0.00 ATOM 150 O TYRT 6 18.087 -3.828 2.439 1.00 0.00 ATOM 151 N GLY 7 18.621 -1.914 1.384 1.00 0.00 ATOM 152 HN GLY 7 18.399 -0.970 1.238 1.00 0.00 ATOM 153 CA GLY 7 19.759 -2.503 0.706 1.00 0.00 ATOM 154 HA1 GLY 7 20.303 -3.117 1.407 1.00 0.00 ATOM 155 HA2 GLY 7 20.407 -1.711 0.358 1.00 0.00 ATOM 156 C GLY 7 19.350 -3.357 -0.478 1.00 0.00 ATOM 157 O GLY 7 18.379 -4.112 -0.424 1.00 0.00 ATOM 158 O2 OME 8 20.238 -3.256 -1.492 1.00 0.00 ATOM 159 C1 OME 8 19.986 -4.074 -2.624 1.00 0.00 ATOM 160 H1 OME 8 19.213 -3.629 -3.229 1.00 0.00 ATOM 161 H2 OME 8 19.665 -5.051 -2.302 1.00 0.00 ATOM 162 H3 OME 8 20.881 -4.180 -3.224 1.00 0.00 END REMARK FILENAME="accept_3.pdb" REMARK =============================================================== REMARK DATE:24-Sep-2013 17:40:54 created by user: Vermonster REMARK VERSION:1.21 ATOM 1 O BOC 1 11.474 -4.583 1.547 1.00 0.00 ATOM 2 C BOC 1 12.344 -3.813 1.136 1.00 0.00 ATOM 3 O2 BOC 1 13.472 -4.166 0.479 1.00 0.00 ATOM 4 CQ BOC 1 13.495 -4.246 -0.988 1.00 0.00 ATOM 5 C1 BOC 1 13.104 -2.893 -1.582 1.00 0.00 ATOM 6 C2 BOC 1 14.901 -4.616 -1.457 1.00 0.00 ATOM 7 C3 BOC 1 12.501 -5.315 -1.420 1.00 0.00 ATOM 8 H11 BOC 1 13.584 -2.106 -1.021 1.00 0.00 ATOM 9 H12 BOC 1 12.034 -2.775 -1.527 1.00 0.00 ATOM 10 H13 BOC 1 13.419 -2.841 -2.615 1.00 0.00 ATOM 11 H21 BOC 1 15.087 -4.165 -2.419 1.00 0.00 ATOM 12 H22 BOC 1 14.978 -5.689 -1.539 1.00 0.00 ATOM 13 H23 BOC 1 15.631 -4.257 -0.745 1.00 0.00 ATOM 14 H31 BOC 1 11.498 -4.965 -1.234 1.00 0.00 ATOM 15 H32 BOC 1 12.680 -6.217 -0.856 1.00 0.00 ATOM 16 H33 BOC 1 12.619 -5.521 -2.474 1.00 0.00 ATOM 17 N ASPH 2 12.290 -2.495 1.298 1.00 0.00 ATOM 18 HN ASPH 2 12.982 -1.944 0.879 1.00 0.00 ATOM 19 CA ASPH 2 11.075 -1.847 1.775 1.00 0.00 ATOM 20 HA ASPH 2 10.233 -2.342 1.315 1.00 0.00 ATOM 21 CB ASPH 2 10.961 -1.986 3.295 1.00 0.00 ATOM 22 HB1 ASPH 2 10.718 -1.024 3.723 1.00 0.00 ATOM 23 HB2 ASPH 2 11.908 -2.321 3.691 1.00 0.00 ATOM 24 CG ASPH 2 9.891 -2.978 3.707 1.00 0.00 ATOM 25 OD1 ASPH 2 8.738 -2.551 3.928 1.00 0.00 ATOM 26 OD2 ASPH 2 10.207 -4.183 3.808 1.00 0.00 ATOM 27 HD ASPH 2 8.770 -1.963 4.498 1.00 0.00 ATOM 28 C ASPH 2 11.055 -0.370 1.381 1.00 0.00 ATOM 29 O ASPH 2 11.570 0.480 2.107 1.00 0.00 ATOM 30 N DPRO 3 10.456 -0.045 0.222 1.00 0.00 ATOM 31 CA DPRO 3 10.376 1.335 -0.254 1.00 0.00 ATOM 32 HA DPRO 3 10.011 1.998 0.525 1.00 0.00 ATOM 33 CB DPRO 3 9.354 1.273 -1.384 1.00 0.00 ATOM 34 HB1 DPRO 3 9.624 1.977 -2.157 1.00 0.00 ATOM 35 HB2 DPRO 3 8.373 1.510 -0.999 1.00 0.00 ATOM 36 CG DPRO 3 9.424 -0.129 -1.878 1.00 0.00 ATOM 37 HG1 DPRO 3 10.204 -0.220 -2.619 1.00 0.00 ATOM 38 HG2 DPRO 3 8.472 -0.419 -2.297 1.00 0.00 ATOM 39 CD DPRO 3 9.746 -0.977 -0.677 1.00 0.00 ATOM 40 HD1 DPRO 3 10.384 -1.802 -0.957 1.00 0.00 ATOM 41 HD2 DPRO 3 8.838 -1.339 -0.217 1.00 0.00 ATOM 42 C DPRO 3 11.720 1.827 -0.793 1.00 0.00 ATOM 43 O DPRO 3 11.995 1.711 -1.987 1.00 0.00 ATOM 44 N THRB 4 12.447 2.561 0.043 1.00 0.00 ATOM 45 HN THRB 4 12.100 2.748 0.941 1.00 0.00 ATOM 46 CA THRB 4 13.749 3.094 -0.341 1.00 0.00 ATOM 47 HA THRB 4 13.931 2.817 -1.369 1.00 0.00 ATOM 48 CB THRB 4 13.749 4.621 -0.232 1.00 0.00 ATOM 49 HB THRB 4 14.740 4.990 -0.442 1.00 0.00 ATOM 50 OG1 THRB 4 13.422 4.892 1.136 1.00 0.00 ATOM 51 CG2 THRB 4 12.795 5.298 -1.192 1.00 0.00 ATOM 52 HG21 THRB 4 13.235 5.323 -2.178 1.00 0.00 ATOM 53 HG22 THRB 4 12.603 6.307 -0.857 1.00 0.00 ATOM 54 HG23 THRB 4 11.867 4.746 -1.225 1.00 0.00 ATOM 55 C THRB 4 14.856 2.507 0.529 1.00 0.00 ATOM 56 O THRB 4 15.760 3.225 0.960 1.00 0.00 ATOM 57 CD THRB 4 14.038 6.052 1.701 1.00 0.00 ATOM 58 HD1 THRB 4 14.728 5.752 2.477 1.00 0.00 ATOM 59 HD2 THRB 4 14.576 6.590 0.936 1.00 0.00 ATOM 60 CE THRB 4 13.024 6.989 2.296 1.00 0.00 ATOM 61 CZ1 THRB 4 11.867 6.498 2.880 1.00 0.00 ATOM 62 HZ1 THRB 4 11.698 5.431 2.905 1.00 0.00 ATOM 63 CZ2 THRB 4 13.227 8.360 2.271 1.00 0.00 ATOM 64 HZ2 THRB 4 14.126 8.753 1.818 1.00 0.00 ATOM 65 CH1 THRB 4 10.932 7.356 3.428 1.00 0.00 ATOM 66 HH1 THRB 4 10.034 6.960 3.879 1.00 0.00 ATOM 67 CH2 THRB 4 12.296 9.222 2.816 1.00 0.00 ATOM 68 HH2 THRB 4 12.467 10.288 2.790 1.00 0.00 ATOM 69 CTH THRB 4 11.147 8.719 3.396 1.00 0.00 ATOM 70 HTH THRB 4 10.418 9.392 3.823 1.00 0.00 ATOM 71 N ASNT 5 14.662 1.265 0.956 1.00 0.00 ATOM 72 HN ASNT 5 13.841 0.793 0.700 1.00 0.00 ATOM 73 CA ASNT 5 15.641 0.582 1.794 1.00 0.00 ATOM 74 HA ASNT 5 16.114 1.324 2.420 1.00 0.00 ATOM 75 CB ASNT 5 14.951 -0.453 2.682 1.00 0.00 ATOM 76 HB1 ASNT 5 15.632 -1.271 2.869 1.00 0.00 ATOM 77 HB2 ASNT 5 14.075 -0.829 2.174 1.00 0.00 ATOM 78 CG ASNT 5 14.519 0.126 4.016 1.00 0.00 ATOM 79 OD1 ASNT 5 13.352 0.451 4.234 1.00 0.00 ATOM 80 ND2 ASNT 5 15.497 0.233 4.912 1.00 0.00 ATOM 81 HD1 ASNT 5 16.394 -0.067 4.656 1.00 0.00 ATOM 82 CQ ASNT 5 15.391 0.758 6.306 1.00 0.00 ATOM 83 CG1 ASNT 5 16.840 0.911 6.821 1.00 0.00 ATOM 84 CD11 ASNT 5 17.849 1.338 5.970 1.00 0.00 ATOM 85 HD11 ASNT 5 17.635 1.473 4.921 1.00 0.00 ATOM 86 CD12 ASNT 5 17.130 0.742 8.167 1.00 0.00 ATOM 87 HD12 ASNT 5 16.351 0.410 8.838 1.00 0.00 ATOM 88 CE11 ASNT 5 19.119 1.590 6.452 1.00 0.00 ATOM 89 HE11 ASNT 5 19.896 1.922 5.780 1.00 0.00 ATOM 90 CE12 ASNT 5 18.399 0.992 8.654 1.00 0.00 ATOM 91 HE12 ASNT 5 18.632 0.775 9.685 1.00 0.00 ATOM 92 CZ1 ASNT 5 19.394 1.417 7.795 1.00 0.00 ATOM 93 HZ1 ASNT 5 20.387 1.613 8.173 1.00 0.00 ATOM 94 CG2 ASNT 5 14.579 -0.312 7.073 1.00 0.00 ATOM 95 CD21 ASNT 5 13.195 -0.230 7.146 1.00 0.00 ATOM 96 HD21 ASNT 5 12.693 0.636 6.740 1.00 0.00 ATOM 97 CD22 ASNT 5 15.208 -1.431 7.598 1.00 0.00 ATOM 98 HD22 ASNT 5 16.284 -1.506 7.547 1.00 0.00 ATOM 99 CE21 ASNT 5 12.458 -1.243 7.729 1.00 0.00 ATOM 100 HE21 ASNT 5 11.382 -1.167 7.779 1.00 0.00 ATOM 101 CE22 ASNT 5 14.475 -2.445 8.182 1.00 0.00 ATOM 102 HE22 ASNT 5 14.971 -3.345 8.518 1.00 0.00 ATOM 103 CZ2 ASNT 5 13.098 -2.351 8.248 1.00 0.00 ATOM 104 HZ2 ASNT 5 12.523 -3.143 8.705 1.00 0.00 ATOM 105 CG3 ASNT 5 14.662 2.119 6.215 1.00 0.00 ATOM 106 CD31 ASNT 5 14.007 2.636 7.321 1.00 0.00 ATOM 107 HD31 ASNT 5 13.930 2.040 8.219 1.00 0.00 ATOM 108 CD32 ASNT 5 14.754 2.895 5.069 1.00 0.00 ATOM 109 HD32 ASNT 5 15.262 2.501 4.202 1.00 0.00 ATOM 110 CE31 ASNT 5 13.454 3.902 7.285 1.00 0.00 ATOM 111 HE31 ASNT 5 12.946 4.294 8.154 1.00 0.00 ATOM 112 CE32 ASNT 5 14.202 4.161 5.027 1.00 0.00 ATOM 113 HE32 ASNT 5 14.206 4.722 4.104 1.00 0.00 ATOM 114 CZ3 ASNT 5 13.551 4.664 6.138 1.00 0.00 ATOM 115 HZ3 ASNT 5 13.119 5.655 6.108 1.00 0.00 ATOM 116 C ASNT 5 16.709 -0.094 0.940 1.00 0.00 ATOM 117 O ASNT 5 17.899 -0.009 1.244 1.00 0.00 ATOM 118 N TYRT 6 16.264 -0.932 0.010 1.00 0.00 ATOM 119 HN TYRT 6 15.299 -1.074 -0.083 1.00 0.00 ATOM 120 CA TYRT 6 17.177 -1.645 -0.876 1.00 0.00 ATOM 121 HA TYRT 6 16.587 -2.287 -1.513 1.00 0.00 ATOM 122 CB TYRT 6 17.952 -0.654 -1.749 1.00 0.00 ATOM 123 HB1 TYRT 6 18.855 -1.128 -2.102 1.00 0.00 ATOM 124 HB2 TYRT 6 18.211 0.209 -1.156 1.00 0.00 ATOM 125 CG TYRT 6 17.176 -0.171 -2.955 1.00 0.00 ATOM 126 CD1 TYRT 6 17.807 0.012 -4.182 1.00 0.00 ATOM 127 HD1 TYRT 6 18.863 -0.196 -4.266 1.00 0.00 ATOM 128 CD2 TYRT 6 15.815 0.102 -2.868 1.00 0.00 ATOM 129 HD2 TYRT 6 15.310 -0.034 -1.923 1.00 0.00 ATOM 130 CE1 TYRT 6 17.103 0.454 -5.286 1.00 0.00 ATOM 131 HE1 TYRT 6 17.608 0.590 -6.231 1.00 0.00 ATOM 132 CE2 TYRT 6 15.105 0.544 -3.969 1.00 0.00 ATOM 133 HE2 TYRT 6 14.049 0.753 -3.884 1.00 0.00 ATOM 134 CZ TYRT 6 15.756 0.716 -5.169 1.00 0.00 ATOM 135 O2 TYRT 6 15.018 1.015 -6.309 1.00 0.00 ATOM 136 CQ TYRT 6 14.770 -0.020 -7.323 1.00 0.00 ATOM 137 C1 TYRT 6 16.096 -0.451 -7.948 1.00 0.00 ATOM 138 C2 TYRT 6 14.099 -1.229 -6.672 1.00 0.00 ATOM 139 C3 TYRT 6 13.859 0.573 -8.388 1.00 0.00 ATOM 140 H11 TYRT 6 16.574 -1.176 -7.306 1.00 0.00 ATOM 141 H12 TYRT 6 16.735 0.411 -8.059 1.00 0.00 ATOM 142 H13 TYRT 6 15.918 -0.894 -8.918 1.00 0.00 ATOM 143 H21 TYRT 6 13.149 -0.929 -6.258 1.00 0.00 ATOM 144 H22 TYRT 6 14.732 -1.608 -5.885 1.00 0.00 ATOM 145 H23 TYRT 6 13.941 -2.003 -7.410 1.00 0.00 ATOM 146 H31 TYRT 6 13.981 1.645 -8.405 1.00 0.00 ATOM 147 H32 TYRT 6 12.835 0.330 -8.156 1.00 0.00 ATOM 148 H33 TYRT 6 14.115 0.168 -9.358 1.00 0.00 ATOM 149 C TYRT 6 18.149 -2.506 -0.077 1.00 0.00 ATOM 150 O TYRT 6 19.297 -2.701 -0.479 1.00 0.00 ATOM 151 N GLY 7 17.682 -3.018 1.057 1.00 0.00 ATOM 152 HN GLY 7 16.759 -2.828 1.327 1.00 0.00 ATOM 153 CA GLY 7 18.523 -3.852 1.896 1.00 0.00 ATOM 154 HA1 GLY 7 19.075 -3.220 2.576 1.00 0.00 ATOM 155 HA2 GLY 7 19.221 -4.387 1.270 1.00 0.00 ATOM 156 C GLY 7 17.722 -4.855 2.703 1.00 0.00 ATOM 157 O GLY 7 18.230 -5.495 3.624 1.00 0.00 ATOM 158 O2 OME 8 16.477 -5.014 2.200 1.00 0.00 ATOM 159 C1 OME 8 15.668 -5.987 2.840 1.00 0.00 ATOM 160 H1 OME 8 14.881 -6.302 2.174 1.00 0.00 ATOM 161 H2 OME 8 15.230 -5.568 3.731 1.00 0.00 ATOM 162 H3 OME 8 16.257 -6.853 3.116 1.00 0.00 END REMARK FILENAME="accept_4.pdb" REMARK =============================================================== REMARK DATE:24-Sep-2013 17:40:54 created by user: PAL REMARK VERSION:1.21 ATOM 1 O BOC 1 9.123 -0.837 3.971 1.00 0.00 ATOM 2 C BOC 1 10.310 -1.012 3.693 1.00 0.00 ATOM 3 O2 BOC 1 11.129 -1.936 4.242 1.00 0.00 ATOM 4 CQ BOC 1 11.739 -1.708 5.559 1.00 0.00 ATOM 5 C1 BOC 1 12.600 -0.446 5.514 1.00 0.00 ATOM 6 C2 BOC 1 10.641 -1.535 6.609 1.00 0.00 ATOM 7 C3 BOC 1 12.599 -2.917 5.896 1.00 0.00 ATOM 8 H11 BOC 1 13.344 -0.495 6.294 1.00 0.00 ATOM 9 H12 BOC 1 11.973 0.419 5.663 1.00 0.00 ATOM 10 H13 BOC 1 13.091 -0.373 4.554 1.00 0.00 ATOM 11 H21 BOC 1 10.974 -1.956 7.545 1.00 0.00 ATOM 12 H22 BOC 1 9.750 -2.046 6.279 1.00 0.00 ATOM 13 H23 BOC 1 10.425 -0.484 6.743 1.00 0.00 ATOM 14 H31 BOC 1 12.014 -3.623 6.464 1.00 0.00 ATOM 15 H32 BOC 1 13.449 -2.599 6.478 1.00 0.00 ATOM 16 H33 BOC 1 12.943 -3.388 4.985 1.00 0.00 ATOM 17 N ASPH 2 10.964 -0.287 2.792 1.00 0.00 ATOM 18 HN ASPH 2 11.886 -0.533 2.571 1.00 0.00 ATOM 19 CA ASPH 2 10.253 0.623 1.900 1.00 0.00 ATOM 20 HA ASPH 2 9.218 0.317 1.871 1.00 0.00 ATOM 21 CB ASPH 2 10.334 2.056 2.428 1.00 0.00 ATOM 22 HB1 ASPH 2 11.216 2.533 2.026 1.00 0.00 ATOM 23 HB2 ASPH 2 10.402 2.033 3.506 1.00 0.00 ATOM 24 CG ASPH 2 9.124 2.883 2.044 1.00 0.00 ATOM 25 OD1 ASPH 2 8.806 2.945 0.837 1.00 0.00 ATOM 26 OD2 ASPH 2 8.492 3.468 2.949 1.00 0.00 ATOM 27 HD ASPH 2 8.438 2.246 0.615 1.00 0.00 ATOM 28 C ASPH 2 10.826 0.556 0.486 1.00 0.00 ATOM 29 O ASPH 2 11.707 1.337 0.127 1.00 0.00 ATOM 30 N DPRO 3 10.331 -0.384 -0.337 1.00 0.00 ATOM 31 CA DPRO 3 10.801 -0.544 -1.712 1.00 0.00 ATOM 32 HA DPRO 3 10.714 0.384 -2.268 1.00 0.00 ATOM 33 CB DPRO 3 9.851 -1.581 -2.308 1.00 0.00 ATOM 34 HB1 DPRO 3 10.391 -2.220 -2.990 1.00 0.00 ATOM 35 HB2 DPRO 3 9.051 -1.079 -2.832 1.00 0.00 ATOM 36 CG DPRO 3 9.341 -2.345 -1.136 1.00 0.00 ATOM 37 HG1 DPRO 3 10.018 -3.153 -0.901 1.00 0.00 ATOM 38 HG2 DPRO 3 8.355 -2.730 -1.350 1.00 0.00 ATOM 39 CD DPRO 3 9.283 -1.365 0.003 1.00 0.00 ATOM 40 HD1 DPRO 3 9.507 -1.859 0.937 1.00 0.00 ATOM 41 HD2 DPRO 3 8.312 -0.894 0.046 1.00 0.00 ATOM 42 C DPRO 3 12.239 -1.064 -1.760 1.00 0.00 ATOM 43 O DPRO 3 12.468 -2.254 -1.978 1.00 0.00 ATOM 44 N THRB 4 13.190 -0.137 -1.771 1.00 0.00 ATOM 45 HN THRB 4 12.936 0.810 -1.748 1.00 0.00 ATOM 46 CA THRB 4 14.604 -0.492 -1.813 1.00 0.00 ATOM 47 HA THRB 4 14.689 -1.541 -1.573 1.00 0.00 ATOM 48 CB THRB 4 15.168 -0.255 -3.217 1.00 0.00 ATOM 49 HB THRB 4 16.236 -0.112 -3.148 1.00 0.00 ATOM 50 OG1 THRB 4 14.551 0.958 -3.661 1.00 0.00 ATOM 51 CG2 THRB 4 14.922 -1.404 -4.169 1.00 0.00 ATOM 52 HG21 THRB 4 15.674 -1.399 -4.943 1.00 0.00 ATOM 53 HG22 THRB 4 13.945 -1.296 -4.617 1.00 0.00 ATOM 54 HG23 THRB 4 14.968 -2.337 -3.628 1.00 0.00 ATOM 55 C THRB 4 15.398 0.313 -0.788 1.00 0.00 ATOM 56 O THRB 4 16.426 0.906 -1.116 1.00 0.00 ATOM 57 CD THRB 4 15.444 2.016 -4.026 1.00 0.00 ATOM 58 HD1 THRB 4 15.351 2.827 -3.316 1.00 0.00 ATOM 59 HD2 THRB 4 16.460 1.654 -4.021 1.00 0.00 ATOM 60 CE THRB 4 15.150 2.546 -5.401 1.00 0.00 ATOM 61 CZ1 THRB 4 14.345 3.662 -5.570 1.00 0.00 ATOM 62 HZ1 THRB 4 13.931 4.152 -4.702 1.00 0.00 ATOM 63 CZ2 THRB 4 15.676 1.928 -6.524 1.00 0.00 ATOM 64 HZ2 THRB 4 16.303 1.057 -6.404 1.00 0.00 ATOM 65 CH1 THRB 4 14.073 4.152 -6.833 1.00 0.00 ATOM 66 HH1 THRB 4 13.445 5.022 -6.952 1.00 0.00 ATOM 67 CH2 THRB 4 15.406 2.413 -7.790 1.00 0.00 ATOM 68 HH2 THRB 4 15.823 1.922 -8.657 1.00 0.00 ATOM 69 CTH THRB 4 14.604 3.526 -7.944 1.00 0.00 ATOM 70 HTH THRB 4 14.392 3.908 -8.932 1.00 0.00 ATOM 71 N ASNT 5 14.801 0.506 0.385 1.00 0.00 ATOM 72 HN ASNT 5 13.908 0.134 0.534 1.00 0.00 ATOM 73 CA ASNT 5 15.446 1.257 1.455 1.00 0.00 ATOM 74 HA ASNT 5 16.031 2.043 1.002 1.00 0.00 ATOM 75 CB ASNT 5 14.394 1.885 2.372 1.00 0.00 ATOM 76 HB1 ASNT 5 14.234 1.239 3.222 1.00 0.00 ATOM 77 HB2 ASNT 5 13.469 1.992 1.826 1.00 0.00 ATOM 78 CG ASNT 5 14.812 3.252 2.879 1.00 0.00 ATOM 79 OD1 ASNT 5 14.926 4.217 2.123 1.00 0.00 ATOM 80 ND2 ASNT 5 15.025 3.311 4.192 1.00 0.00 ATOM 81 HD1 ASNT 5 14.894 2.495 4.719 1.00 0.00 ATOM 82 CQ ASNT 5 15.439 4.504 4.986 1.00 0.00 ATOM 83 CG1 ASNT 5 14.215 5.447 4.958 1.00 0.00 ATOM 84 CD11 ASNT 5 14.077 6.394 3.952 1.00 0.00 ATOM 85 HD11 ASNT 5 14.876 6.531 3.239 1.00 0.00 ATOM 86 CD12 ASNT 5 13.178 5.282 5.864 1.00 0.00 ATOM 87 HD12 ASNT 5 13.274 4.548 6.650 1.00 0.00 ATOM 88 CE11 ASNT 5 12.930 7.159 3.856 1.00 0.00 ATOM 89 HE11 ASNT 5 12.834 7.892 3.068 1.00 0.00 ATOM 90 CE12 ASNT 5 12.030 6.045 5.771 1.00 0.00 ATOM 91 HE12 ASNT 5 11.259 5.953 6.522 1.00 0.00 ATOM 92 CZ1 ASNT 5 11.906 6.984 4.766 1.00 0.00 ATOM 93 HZ1 ASNT 5 11.008 7.581 4.691 1.00 0.00 ATOM 94 CG2 ASNT 5 16.677 5.087 4.268 1.00 0.00 ATOM 95 CD21 ASNT 5 17.021 6.419 4.438 1.00 0.00 ATOM 96 HD21 ASNT 5 16.365 7.068 5.001 1.00 0.00 ATOM 97 CD22 ASNT 5 17.527 4.265 3.545 1.00 0.00 ATOM 98 HD22 ASNT 5 17.269 3.225 3.407 1.00 0.00 ATOM 99 CE21 ASNT 5 18.188 6.922 3.896 1.00 0.00 ATOM 100 HE21 ASNT 5 18.445 7.962 4.035 1.00 0.00 ATOM 101 CE22 ASNT 5 18.696 4.762 3.000 1.00 0.00 ATOM 102 HE22 ASNT 5 19.388 4.095 2.508 1.00 0.00 ATOM 103 CZ2 ASNT 5 19.026 6.092 3.176 1.00 0.00 ATOM 104 HZ2 ASNT 5 19.939 6.484 2.752 1.00 0.00 ATOM 105 CG3 ASNT 5 15.780 3.997 6.410 1.00 0.00 ATOM 106 CD31 ASNT 5 16.396 2.769 6.591 1.00 0.00 ATOM 107 HD31 ASNT 5 16.552 2.123 5.739 1.00 0.00 ATOM 108 CD32 ASNT 5 15.586 4.817 7.512 1.00 0.00 ATOM 109 HD32 ASNT 5 15.107 5.776 7.382 1.00 0.00 ATOM 110 CE31 ASNT 5 16.808 2.364 7.846 1.00 0.00 ATOM 111 HE31 ASNT 5 17.286 1.405 7.975 1.00 0.00 ATOM 112 CE32 ASNT 5 15.995 4.416 8.770 1.00 0.00 ATOM 113 HE32 ASNT 5 15.898 5.089 9.609 1.00 0.00 ATOM 114 CZ3 ASNT 5 16.607 3.189 8.937 1.00 0.00 ATOM 115 HZ3 ASNT 5 16.929 2.874 9.918 1.00 0.00 ATOM 116 C ASNT 5 16.375 0.361 2.269 1.00 0.00 ATOM 117 O ASNT 5 17.286 0.848 2.937 1.00 0.00 ATOM 118 N TYRT 6 16.007 -0.912 2.377 1.00 0.00 ATOM 119 HN TYRT 6 15.180 -1.210 1.944 1.00 0.00 ATOM 120 CA TYRT 6 16.805 -1.875 3.126 1.00 0.00 ATOM 121 HA TYRT 6 17.164 -1.383 4.018 1.00 0.00 ATOM 122 CB TYRT 6 15.945 -3.076 3.534 1.00 0.00 ATOM 123 HB1 TYRT 6 15.043 -2.718 4.008 1.00 0.00 ATOM 124 HB2 TYRT 6 16.497 -3.682 4.236 1.00 0.00 ATOM 125 CG TYRT 6 15.541 -3.962 2.375 1.00 0.00 ATOM 126 CD1 TYRT 6 16.243 -5.130 2.093 1.00 0.00 ATOM 127 HD1 TYRT 6 17.087 -5.398 2.712 1.00 0.00 ATOM 128 CD2 TYRT 6 14.459 -3.633 1.566 1.00 0.00 ATOM 129 HD2 TYRT 6 13.904 -2.730 1.772 1.00 0.00 ATOM 130 CE1 TYRT 6 15.878 -5.943 1.037 1.00 0.00 ATOM 131 HE1 TYRT 6 16.434 -6.845 0.831 1.00 0.00 ATOM 132 CE2 TYRT 6 14.088 -4.441 0.508 1.00 0.00 ATOM 133 HE2 TYRT 6 13.246 -4.170 -0.111 1.00 0.00 ATOM 134 CZ TYRT 6 14.803 -5.590 0.253 1.00 0.00 ATOM 135 O2 TYRT 6 14.341 -6.480 -0.712 1.00 0.00 ATOM 136 CQ TYRT 6 15.090 -6.668 -1.962 1.00 0.00 ATOM 137 C1 TYRT 6 16.512 -7.131 -1.644 1.00 0.00 ATOM 138 C2 TYRT 6 14.394 -7.725 -2.819 1.00 0.00 ATOM 139 C3 TYRT 6 15.124 -5.337 -2.699 1.00 0.00 ATOM 140 H11 TYRT 6 16.470 -7.972 -0.969 1.00 0.00 ATOM 141 H12 TYRT 6 17.055 -6.322 -1.181 1.00 0.00 ATOM 142 H13 TYRT 6 17.014 -7.425 -2.555 1.00 0.00 ATOM 143 H21 TYRT 6 13.327 -7.578 -2.768 1.00 0.00 ATOM 144 H22 TYRT 6 14.642 -8.706 -2.446 1.00 0.00 ATOM 145 H23 TYRT 6 14.721 -7.639 -3.846 1.00 0.00 ATOM 146 H31 TYRT 6 15.104 -5.517 -3.762 1.00 0.00 ATOM 147 H32 TYRT 6 16.029 -4.808 -2.439 1.00 0.00 ATOM 148 H33 TYRT 6 14.267 -4.741 -2.419 1.00 0.00 ATOM 149 C TYRT 6 18.005 -2.342 2.308 1.00 0.00 ATOM 150 O TYRT 6 19.061 -2.654 2.859 1.00 0.00 ATOM 151 N GLY 7 17.835 -2.387 0.991 1.00 0.00 ATOM 152 HN GLY 7 16.971 -2.126 0.608 1.00 0.00 ATOM 153 CA GLY 7 18.912 -2.816 0.118 1.00 0.00 ATOM 154 HA1 GLY 7 18.486 -3.281 -0.758 1.00 0.00 ATOM 155 HA2 GLY 7 19.516 -3.542 0.641 1.00 0.00 ATOM 156 C GLY 7 19.797 -1.665 -0.319 1.00 0.00 ATOM 157 O GLY 7 20.204 -0.824 0.483 1.00 0.00 ATOM 158 O2 OME 8 19.953 -1.643 -1.661 1.00 0.00 ATOM 159 C1 OME 8 20.707 -0.559 -2.181 1.00 0.00 ATOM 160 H1 OME 8 21.556 -0.368 -1.545 1.00 0.00 ATOM 161 H2 OME 8 20.092 0.325 -2.223 1.00 0.00 ATOM 162 H3 OME 8 21.062 -0.784 -3.178 1.00 0.00 END REMARK FILENAME="accept_5.pdb" REMARK =============================================================== REMARK DATE:24-Sep-2013 17:40:57 created by user: PAL REMARK VERSION:1.21 ATOM 1 O BOC 1 9.246 -3.536 1.103 1.00 0.00 ATOM 2 C BOC 1 10.452 -3.284 1.112 1.00 0.00 ATOM 3 O2 BOC 1 11.443 -4.123 0.737 1.00 0.00 ATOM 4 CQ BOC 1 11.953 -4.113 -0.642 1.00 0.00 ATOM 5 C1 BOC 1 12.469 -2.717 -0.989 1.00 0.00 ATOM 6 C2 BOC 1 13.097 -5.120 -0.769 1.00 0.00 ATOM 7 C3 BOC 1 10.812 -4.498 -1.572 1.00 0.00 ATOM 8 H11 BOC 1 11.706 -1.989 -0.761 1.00 0.00 ATOM 9 H12 BOC 1 12.705 -2.675 -2.041 1.00 0.00 ATOM 10 H13 BOC 1 13.357 -2.500 -0.414 1.00 0.00 ATOM 11 H21 BOC 1 13.768 -4.799 -1.549 1.00 0.00 ATOM 12 H22 BOC 1 12.692 -6.089 -1.015 1.00 0.00 ATOM 13 H23 BOC 1 13.635 -5.183 0.166 1.00 0.00 ATOM 14 H31 BOC 1 10.704 -5.572 -1.580 1.00 0.00 ATOM 15 H32 BOC 1 11.031 -4.150 -2.570 1.00 0.00 ATOM 16 H33 BOC 1 9.890 -4.048 -1.230 1.00 0.00 ATOM 17 N ASPH 2 10.952 -2.120 1.514 1.00 0.00 ATOM 18 HN ASPH 2 11.916 -1.968 1.421 1.00 0.00 ATOM 19 CA ASPH 2 10.086 -0.972 1.755 1.00 0.00 ATOM 20 HA ASPH 2 9.127 -1.179 1.305 1.00 0.00 ATOM 21 CB ASPH 2 9.894 -0.759 3.258 1.00 0.00 ATOM 22 HB1 ASPH 2 9.814 0.300 3.459 1.00 0.00 ATOM 23 HB2 ASPH 2 10.750 -1.157 3.783 1.00 0.00 ATOM 24 CG ASPH 2 8.648 -1.442 3.784 1.00 0.00 ATOM 25 OD1 ASPH 2 7.623 -1.440 3.071 1.00 0.00 ATOM 26 OD2 ASPH 2 8.697 -1.982 4.910 1.00 0.00 ATOM 27 HD ASPH 2 7.426 -0.666 2.880 1.00 0.00 ATOM 28 C ASPH 2 10.664 0.290 1.119 1.00 0.00 ATOM 29 O ASPH 2 11.417 1.027 1.756 1.00 0.00 ATOM 30 N DPRO 3 10.318 0.555 -0.152 1.00 0.00 ATOM 31 CA DPRO 3 10.808 1.733 -0.867 1.00 0.00 ATOM 32 HA DPRO 3 10.507 2.648 -0.368 1.00 0.00 ATOM 33 CB DPRO 3 10.121 1.651 -2.229 1.00 0.00 ATOM 34 HB1 DPRO 3 10.798 1.991 -2.998 1.00 0.00 ATOM 35 HB2 DPRO 3 9.234 2.266 -2.224 1.00 0.00 ATOM 36 CG DPRO 3 9.786 0.210 -2.399 1.00 0.00 ATOM 37 HG1 DPRO 3 10.625 -0.313 -2.836 1.00 0.00 ATOM 38 HG2 DPRO 3 8.913 0.108 -3.027 1.00 0.00 ATOM 39 CD DPRO 3 9.504 -0.316 -1.021 1.00 0.00 ATOM 40 HD1 DPRO 3 9.818 -1.345 -0.937 1.00 0.00 ATOM 41 HD2 DPRO 3 8.453 -0.219 -0.788 1.00 0.00 ATOM 42 C DPRO 3 12.326 1.693 -1.045 1.00 0.00 ATOM 43 O DPRO 3 12.824 1.212 -2.062 1.00 0.00 ATOM 44 N THRB 4 13.032 2.387 -0.158 1.00 0.00 ATOM 45 HN THRB 4 12.563 2.878 0.549 1.00 0.00 ATOM 46 CA THRB 4 14.490 2.433 -0.208 1.00 0.00 ATOM 47 HA THRB 4 14.803 1.969 -1.133 1.00 0.00 ATOM 48 CB THRB 4 14.976 3.884 -0.189 1.00 0.00 ATOM 49 HB THRB 4 16.040 3.897 -0.004 1.00 0.00 ATOM 50 OG1 THRB 4 14.292 4.486 0.915 1.00 0.00 ATOM 51 CG2 THRB 4 14.730 4.623 -1.486 1.00 0.00 ATOM 52 HG21 THRB 4 14.412 5.632 -1.270 1.00 0.00 ATOM 53 HG22 THRB 4 13.961 4.116 -2.049 1.00 0.00 ATOM 54 HG23 THRB 4 15.642 4.649 -2.064 1.00 0.00 ATOM 55 C THRB 4 15.097 1.660 0.959 1.00 0.00 ATOM 56 O THRB 4 15.896 2.203 1.724 1.00 0.00 ATOM 57 CD THRB 4 15.083 5.355 1.730 1.00 0.00 ATOM 58 HD1 THRB 4 15.508 4.791 2.549 1.00 0.00 ATOM 59 HD2 THRB 4 15.878 5.782 1.141 1.00 0.00 ATOM 60 CE THRB 4 14.268 6.484 2.296 1.00 0.00 ATOM 61 CZ1 THRB 4 14.175 6.670 3.665 1.00 0.00 ATOM 62 HZ1 THRB 4 14.694 5.995 4.329 1.00 0.00 ATOM 63 CZ2 THRB 4 13.595 7.358 1.457 1.00 0.00 ATOM 64 HZ2 THRB 4 13.661 7.222 0.387 1.00 0.00 ATOM 65 CH1 THRB 4 13.426 7.707 4.188 1.00 0.00 ATOM 66 HH1 THRB 4 13.361 7.841 5.258 1.00 0.00 ATOM 67 CH2 THRB 4 12.845 8.397 1.974 1.00 0.00 ATOM 68 HH2 THRB 4 12.325 9.072 1.309 1.00 0.00 ATOM 69 CTH THRB 4 12.760 8.572 3.341 1.00 0.00 ATOM 70 HTH THRB 4 12.174 9.384 3.748 1.00 0.00 ATOM 71 N ASNT 5 14.551 0.474 1.214 1.00 0.00 ATOM 72 HN ASNT 5 13.809 0.161 0.657 1.00 0.00 ATOM 73 CA ASNT 5 15.033 -0.373 2.299 1.00 0.00 ATOM 74 HA ASNT 5 15.854 0.137 2.780 1.00 0.00 ATOM 75 CB ASNT 5 13.919 -0.600 3.326 1.00 0.00 ATOM 76 HB1 ASNT 5 13.474 -1.570 3.154 1.00 0.00 ATOM 77 HB2 ASNT 5 13.166 0.164 3.205 1.00 0.00 ATOM 78 CG ASNT 5 14.427 -0.550 4.754 1.00 0.00 ATOM 79 OD1 ASNT 5 14.453 0.500 5.395 1.00 0.00 ATOM 80 ND2 ASNT 5 14.819 -1.726 5.239 1.00 0.00 ATOM 81 HD1 ASNT 5 14.748 -2.513 4.662 1.00 0.00 ATOM 82 CQ ASNT 5 15.369 -2.001 6.601 1.00 0.00 ATOM 83 CG1 ASNT 5 14.339 -1.429 7.600 1.00 0.00 ATOM 84 CD11 ASNT 5 13.001 -1.324 7.254 1.00 0.00 ATOM 85 HD11 ASNT 5 12.694 -1.556 6.245 1.00 0.00 ATOM 86 CD12 ASNT 5 14.719 -1.128 8.898 1.00 0.00 ATOM 87 HD12 ASNT 5 15.759 -1.207 9.178 1.00 0.00 ATOM 88 CE11 ASNT 5 12.061 -0.923 8.185 1.00 0.00 ATOM 89 HE11 ASNT 5 11.022 -0.844 7.903 1.00 0.00 ATOM 90 CE12 ASNT 5 13.784 -0.726 9.834 1.00 0.00 ATOM 91 HE12 ASNT 5 14.072 -0.615 10.869 1.00 0.00 ATOM 92 CZ1 ASNT 5 12.453 -0.624 9.475 1.00 0.00 ATOM 93 HZ1 ASNT 5 11.719 -0.310 10.204 1.00 0.00 ATOM 94 CG2 ASNT 5 16.728 -1.264 6.638 1.00 0.00 ATOM 95 CD21 ASNT 5 17.861 -1.852 6.097 1.00 0.00 ATOM 96 HD21 ASNT 5 17.809 -2.867 5.732 1.00 0.00 ATOM 97 CD22 ASNT 5 16.811 0.041 7.102 1.00 0.00 ATOM 98 HD22 ASNT 5 15.936 0.510 7.524 1.00 0.00 ATOM 99 CE21 ASNT 5 19.051 -1.155 6.022 1.00 0.00 ATOM 100 HE21 ASNT 5 19.927 -1.625 5.599 1.00 0.00 ATOM 101 CE22 ASNT 5 18.000 0.743 7.031 1.00 0.00 ATOM 102 HE22 ASNT 5 18.083 1.709 7.506 1.00 0.00 ATOM 103 CZ2 ASNT 5 19.121 0.143 6.490 1.00 0.00 ATOM 104 HZ2 ASNT 5 20.051 0.689 6.432 1.00 0.00 ATOM 105 CG3 ASNT 5 15.509 -3.537 6.724 1.00 0.00 ATOM 106 CD31 ASNT 5 16.526 -4.093 7.486 1.00 0.00 ATOM 107 HD31 ASNT 5 17.277 -3.448 7.918 1.00 0.00 ATOM 108 CD32 ASNT 5 14.551 -4.377 6.177 1.00 0.00 ATOM 109 HD32 ASNT 5 13.754 -3.956 5.583 1.00 0.00 ATOM 110 CE31 ASNT 5 16.586 -5.458 7.696 1.00 0.00 ATOM 111 HE31 ASNT 5 17.383 -5.878 8.291 1.00 0.00 ATOM 112 CE32 ASNT 5 14.607 -5.743 6.383 1.00 0.00 ATOM 113 HE32 ASNT 5 13.810 -6.376 6.021 1.00 0.00 ATOM 114 CZ3 ASNT 5 15.626 -6.283 7.144 1.00 0.00 ATOM 115 HZ3 ASNT 5 15.671 -7.350 7.307 1.00 0.00 ATOM 116 C ASNT 5 15.530 -1.713 1.763 1.00 0.00 ATOM 117 O ASNT 5 15.315 -2.753 2.386 1.00 0.00 ATOM 118 N TYRT 6 15.995 -1.705 0.518 1.00 0.00 ATOM 119 HN TYRT 6 15.999 -0.865 0.014 1.00 0.00 ATOM 120 CA TYRT 6 16.501 -2.917 -0.117 1.00 0.00 ATOM 121 HA TYRT 6 15.925 -3.750 0.255 1.00 0.00 ATOM 122 CB TYRT 6 16.329 -2.832 -1.634 1.00 0.00 ATOM 123 HB1 TYRT 6 15.277 -2.870 -1.873 1.00 0.00 ATOM 124 HB2 TYRT 6 16.828 -3.673 -2.094 1.00 0.00 ATOM 125 CG TYRT 6 16.899 -1.569 -2.240 1.00 0.00 ATOM 126 CD1 TYRT 6 16.090 -0.462 -2.474 1.00 0.00 ATOM 127 HD1 TYRT 6 15.042 -0.513 -2.216 1.00 0.00 ATOM 128 CD2 TYRT 6 18.245 -1.484 -2.579 1.00 0.00 ATOM 129 HD2 TYRT 6 18.886 -2.335 -2.403 1.00 0.00 ATOM 130 CE1 TYRT 6 16.606 0.694 -3.027 1.00 0.00 ATOM 131 HE1 TYRT 6 15.965 1.545 -3.202 1.00 0.00 ATOM 132 CE2 TYRT 6 18.769 -0.331 -3.132 1.00 0.00 ATOM 133 HE2 TYRT 6 19.816 -0.280 -3.389 1.00 0.00 ATOM 134 CZ TYRT 6 17.943 0.749 -3.352 1.00 0.00 ATOM 135 O2 TYRT 6 18.495 1.956 -3.767 1.00 0.00 ATOM 136 CQ TYRT 6 18.597 2.265 -5.198 1.00 0.00 ATOM 137 C1 TYRT 6 19.463 1.211 -5.888 1.00 0.00 ATOM 138 C2 TYRT 6 17.203 2.263 -5.823 1.00 0.00 ATOM 139 C3 TYRT 6 19.234 3.640 -5.340 1.00 0.00 ATOM 140 H11 TYRT 6 20.190 0.833 -5.186 1.00 0.00 ATOM 141 H12 TYRT 6 19.970 1.659 -6.727 1.00 0.00 ATOM 142 H13 TYRT 6 18.842 0.397 -6.236 1.00 0.00 ATOM 143 H21 TYRT 6 16.984 1.278 -6.203 1.00 0.00 ATOM 144 H22 TYRT 6 17.173 2.977 -6.631 1.00 0.00 ATOM 145 H23 TYRT 6 16.467 2.533 -5.078 1.00 0.00 ATOM 146 H31 TYRT 6 18.544 4.389 -4.985 1.00 0.00 ATOM 147 H32 TYRT 6 19.463 3.821 -6.378 1.00 0.00 ATOM 148 H33 TYRT 6 20.144 3.685 -4.757 1.00 0.00 ATOM 149 C TYRT 6 17.971 -3.143 0.228 1.00 0.00 ATOM 150 O TYRT 6 18.451 -4.276 0.221 1.00 0.00 ATOM 151 N GLY 7 18.679 -2.060 0.530 1.00 0.00 ATOM 152 HN GLY 7 18.245 -1.181 0.520 1.00 0.00 ATOM 153 CA GLY 7 20.086 -2.166 0.873 1.00 0.00 ATOM 154 HA1 GLY 7 20.463 -1.181 1.104 1.00 0.00 ATOM 155 HA2 GLY 7 20.624 -2.555 0.022 1.00 0.00 ATOM 156 C GLY 7 20.327 -3.075 2.062 1.00 0.00 ATOM 157 O GLY 7 21.465 -3.384 2.417 1.00 0.00 ATOM 158 O2 OME 8 19.168 -3.561 2.559 1.00 0.00 ATOM 159 C1 OME 8 19.288 -4.482 3.631 1.00 0.00 ATOM 160 H1 OME 8 20.011 -4.120 4.343 1.00 0.00 ATOM 161 H2 OME 8 19.612 -5.439 3.254 1.00 0.00 ATOM 162 H3 OME 8 18.337 -4.608 4.133 1.00 0.00 END REMARK FILENAME="accept_6.pdb" REMARK =============================================================== REMARK DATE:24-Sep-2013 17:40:57 created by user: PAL REMARK VERSION:1.21 ATOM 1 O BOC 1 10.961 -4.456 1.004 1.00 0.00 ATOM 2 C BOC 1 11.986 -3.825 0.746 1.00 0.00 ATOM 3 O2 BOC 1 12.975 -4.222 -0.085 1.00 0.00 ATOM 4 CQ BOC 1 12.953 -5.561 -0.690 1.00 0.00 ATOM 5 C1 BOC 1 12.966 -6.620 0.410 1.00 0.00 ATOM 6 C2 BOC 1 11.691 -5.720 -1.536 1.00 0.00 ATOM 7 C3 BOC 1 14.191 -5.701 -1.565 1.00 0.00 ATOM 8 H11 BOC 1 12.130 -6.456 1.073 1.00 0.00 ATOM 9 H12 BOC 1 13.887 -6.548 0.966 1.00 0.00 ATOM 10 H13 BOC 1 12.887 -7.606 -0.029 1.00 0.00 ATOM 11 H21 BOC 1 11.701 -6.688 -2.013 1.00 0.00 ATOM 12 H22 BOC 1 11.664 -4.947 -2.287 1.00 0.00 ATOM 13 H23 BOC 1 10.815 -5.640 -0.905 1.00 0.00 ATOM 14 H31 BOC 1 13.955 -6.321 -2.417 1.00 0.00 ATOM 15 H32 BOC 1 14.982 -6.159 -0.993 1.00 0.00 ATOM 16 H33 BOC 1 14.512 -4.727 -1.907 1.00 0.00 ATOM 17 N ASPH 2 12.266 -2.638 1.272 1.00 0.00 ATOM 18 HN ASPH 2 13.065 -2.163 0.960 1.00 0.00 ATOM 19 CA ASPH 2 11.261 -1.892 2.021 1.00 0.00 ATOM 20 HA ASPH 2 10.295 -2.322 1.799 1.00 0.00 ATOM 21 CB ASPH 2 11.525 -2.009 3.523 1.00 0.00 ATOM 22 HB1 ASPH 2 12.062 -1.133 3.857 1.00 0.00 ATOM 23 HB2 ASPH 2 12.124 -2.887 3.710 1.00 0.00 ATOM 24 CG ASPH 2 10.245 -2.122 4.327 1.00 0.00 ATOM 25 OD1 ASPH 2 9.273 -2.717 3.816 1.00 0.00 ATOM 26 OD2 ASPH 2 10.214 -1.617 5.469 1.00 0.00 ATOM 27 HD ASPH 2 8.838 -2.189 3.363 1.00 0.00 ATOM 28 C ASPH 2 11.252 -0.422 1.606 1.00 0.00 ATOM 29 O ASPH 2 11.933 0.406 2.212 1.00 0.00 ATOM 30 N DPRO 3 10.477 -0.079 0.563 1.00 0.00 ATOM 31 CA DPRO 3 10.388 1.297 0.076 1.00 0.00 ATOM 32 HA DPRO 3 10.203 1.991 0.890 1.00 0.00 ATOM 33 CB DPRO 3 9.179 1.278 -0.855 1.00 0.00 ATOM 34 HB1 DPRO 3 9.348 1.948 -1.684 1.00 0.00 ATOM 35 HB2 DPRO 3 8.297 1.583 -0.310 1.00 0.00 ATOM 36 CG DPRO 3 9.078 -0.136 -1.312 1.00 0.00 ATOM 37 HG1 DPRO 3 9.705 -0.288 -2.178 1.00 0.00 ATOM 38 HG2 DPRO 3 8.050 -0.373 -1.546 1.00 0.00 ATOM 39 CD DPRO 3 9.561 -0.979 -0.163 1.00 0.00 ATOM 40 HD1 DPRO 3 10.086 -1.849 -0.529 1.00 0.00 ATOM 41 HD2 DPRO 3 8.731 -1.272 0.465 1.00 0.00 ATOM 42 C DPRO 3 11.639 1.705 -0.703 1.00 0.00 ATOM 43 O DPRO 3 11.671 1.612 -1.931 1.00 0.00 ATOM 44 N THRB 4 12.571 2.350 -0.009 1.00 0.00 ATOM 45 HN THRB 4 12.419 2.530 0.942 1.00 0.00 ATOM 46 CA THRB 4 13.814 2.796 -0.628 1.00 0.00 ATOM 47 HA THRB 4 13.915 2.284 -1.573 1.00 0.00 ATOM 48 CB THRB 4 13.768 4.305 -0.881 1.00 0.00 ATOM 49 HB THRB 4 14.773 4.668 -1.031 1.00 0.00 ATOM 50 OG1 THRB 4 13.232 4.862 0.325 1.00 0.00 ATOM 51 CG2 THRB 4 12.958 4.690 -2.099 1.00 0.00 ATOM 52 HG21 THRB 4 12.207 3.935 -2.285 1.00 0.00 ATOM 53 HG22 THRB 4 13.610 4.769 -2.955 1.00 0.00 ATOM 54 HG23 THRB 4 12.475 5.640 -1.924 1.00 0.00 ATOM 55 C THRB 4 15.014 2.448 0.249 1.00 0.00 ATOM 56 O THRB 4 15.880 3.290 0.489 1.00 0.00 ATOM 57 CD THRB 4 14.156 5.593 1.138 1.00 0.00 ATOM 58 HD1 THRB 4 14.099 5.235 2.157 1.00 0.00 ATOM 59 HD2 THRB 4 15.159 5.451 0.767 1.00 0.00 ATOM 60 CE THRB 4 13.863 7.067 1.129 1.00 0.00 ATOM 61 CZ1 THRB 4 14.842 7.979 0.770 1.00 0.00 ATOM 62 HZ1 THRB 4 15.823 7.622 0.493 1.00 0.00 ATOM 63 CZ2 THRB 4 12.609 7.539 1.480 1.00 0.00 ATOM 64 HZ2 THRB 4 11.837 6.837 1.762 1.00 0.00 ATOM 65 CH1 THRB 4 14.575 9.335 0.761 1.00 0.00 ATOM 66 HH1 THRB 4 15.347 10.037 0.479 1.00 0.00 ATOM 67 CH2 THRB 4 12.336 8.893 1.473 1.00 0.00 ATOM 68 HH2 THRB 4 11.354 9.249 1.750 1.00 0.00 ATOM 69 CTH THRB 4 13.321 9.793 1.114 1.00 0.00 ATOM 70 HTH THRB 4 13.110 10.852 1.108 1.00 0.00 ATOM 71 N ASNT 5 14.947 1.286 0.890 1.00 0.00 ATOM 72 HN ASNT 5 14.154 0.722 0.776 1.00 0.00 ATOM 73 CA ASNT 5 16.024 0.830 1.761 1.00 0.00 ATOM 74 HA ASNT 5 16.515 1.703 2.165 1.00 0.00 ATOM 75 CB ASNT 5 15.459 0.001 2.916 1.00 0.00 ATOM 76 HB1 ASNT 5 16.137 -0.811 3.135 1.00 0.00 ATOM 77 HB2 ASNT 5 14.501 -0.406 2.623 1.00 0.00 ATOM 78 CG ASNT 5 15.266 0.820 4.176 1.00 0.00 ATOM 79 OD1 ASNT 5 14.274 1.529 4.342 1.00 0.00 ATOM 80 ND2 ASNT 5 16.244 0.693 5.069 1.00 0.00 ATOM 81 HD1 ASNT 5 16.988 0.091 4.859 1.00 0.00 ATOM 82 CQ ASNT 5 16.352 1.376 6.392 1.00 0.00 ATOM 83 CG1 ASNT 5 16.637 2.857 6.053 1.00 0.00 ATOM 84 CD11 ASNT 5 17.930 3.282 5.790 1.00 0.00 ATOM 85 HD11 ASNT 5 18.751 2.590 5.913 1.00 0.00 ATOM 86 CD12 ASNT 5 15.594 3.756 5.888 1.00 0.00 ATOM 87 HD12 ASNT 5 14.582 3.438 6.090 1.00 0.00 ATOM 88 CE11 ASNT 5 18.178 4.575 5.372 1.00 0.00 ATOM 89 HE11 ASNT 5 19.190 4.894 5.170 1.00 0.00 ATOM 90 CE12 ASNT 5 15.836 5.051 5.472 1.00 0.00 ATOM 91 HE12 ASNT 5 15.009 5.715 5.266 1.00 0.00 ATOM 92 CZ1 ASNT 5 17.130 5.461 5.214 1.00 0.00 ATOM 93 HZ1 ASNT 5 17.322 6.472 4.888 1.00 0.00 ATOM 94 CG2 ASNT 5 17.515 0.685 7.141 1.00 0.00 ATOM 95 CD21 ASNT 5 18.296 1.398 8.037 1.00 0.00 ATOM 96 HD21 ASNT 5 18.147 2.462 8.140 1.00 0.00 ATOM 97 CD22 ASNT 5 17.717 -0.683 7.021 1.00 0.00 ATOM 98 HD22 ASNT 5 17.114 -1.248 6.327 1.00 0.00 ATOM 99 CE21 ASNT 5 19.260 0.762 8.797 1.00 0.00 ATOM 100 HE21 ASNT 5 19.861 1.328 9.491 1.00 0.00 ATOM 101 CE22 ASNT 5 18.680 -1.323 7.778 1.00 0.00 ATOM 102 HE22 ASNT 5 18.896 -2.367 7.603 1.00 0.00 ATOM 103 CZ2 ASNT 5 19.452 -0.600 8.667 1.00 0.00 ATOM 104 HZ2 ASNT 5 20.204 -1.099 9.259 1.00 0.00 ATOM 105 CG3 ASNT 5 14.998 1.171 7.111 1.00 0.00 ATOM 106 CD31 ASNT 5 14.220 0.053 6.850 1.00 0.00 ATOM 107 HD31 ASNT 5 14.521 -0.631 6.070 1.00 0.00 ATOM 108 CD32 ASNT 5 14.601 2.040 8.115 1.00 0.00 ATOM 109 HD32 ASNT 5 15.200 2.914 8.327 1.00 0.00 ATOM 110 CE31 ASNT 5 13.070 -0.191 7.574 1.00 0.00 ATOM 111 HE31 ASNT 5 12.472 -1.065 7.361 1.00 0.00 ATOM 112 CE32 ASNT 5 13.450 1.801 8.843 1.00 0.00 ATOM 113 HE32 ASNT 5 13.099 2.536 9.552 1.00 0.00 ATOM 114 CZ3 ASNT 5 12.684 0.684 8.571 1.00 0.00 ATOM 115 HZ3 ASNT 5 11.784 0.495 9.138 1.00 0.00 ATOM 116 C ASNT 5 17.047 0.009 0.981 1.00 0.00 ATOM 117 O ASNT 5 18.172 -0.185 1.440 1.00 0.00 ATOM 118 N TYRT 6 16.584 -0.643 -0.081 1.00 0.00 ATOM 119 HN TYRT 6 15.633 -0.570 -0.310 1.00 0.00 ATOM 120 CA TYRT 6 17.455 -1.464 -0.915 1.00 0.00 ATOM 121 HA TYRT 6 16.863 -1.853 -1.730 1.00 0.00 ATOM 122 CB TYRT 6 18.594 -0.619 -1.487 1.00 0.00 ATOM 123 HB1 TYRT 6 19.402 -1.272 -1.784 1.00 0.00 ATOM 124 HB2 TYRT 6 18.949 0.058 -0.724 1.00 0.00 ATOM 125 CG TYRT 6 18.195 0.206 -2.689 1.00 0.00 ATOM 126 CD1 TYRT 6 18.991 0.239 -3.829 1.00 0.00 ATOM 127 HD1 TYRT 6 19.906 -0.336 -3.847 1.00 0.00 ATOM 128 CD2 TYRT 6 17.021 0.953 -2.685 1.00 0.00 ATOM 129 HD2 TYRT 6 16.392 0.938 -1.807 1.00 0.00 ATOM 130 CE1 TYRT 6 18.629 0.992 -4.929 1.00 0.00 ATOM 131 HE1 TYRT 6 19.260 1.006 -5.807 1.00 0.00 ATOM 132 CE2 TYRT 6 16.653 1.708 -3.782 1.00 0.00 ATOM 133 HE2 TYRT 6 15.738 2.282 -3.762 1.00 0.00 ATOM 134 CZ TYRT 6 17.462 1.721 -4.896 1.00 0.00 ATOM 135 O2 TYRT 6 17.021 2.356 -6.052 1.00 0.00 ATOM 136 CQ TYRT 6 16.408 1.575 -7.135 1.00 0.00 ATOM 137 C1 TYRT 6 15.190 0.823 -6.600 1.00 0.00 ATOM 138 C2 TYRT 6 15.969 2.516 -8.257 1.00 0.00 ATOM 139 C3 TYRT 6 17.447 0.591 -7.655 1.00 0.00 ATOM 140 H11 TYRT 6 14.790 1.353 -5.750 1.00 0.00 ATOM 141 H12 TYRT 6 15.489 -0.169 -6.299 1.00 0.00 ATOM 142 H13 TYRT 6 14.434 0.754 -7.369 1.00 0.00 ATOM 143 H21 TYRT 6 16.085 2.017 -9.206 1.00 0.00 ATOM 144 H22 TYRT 6 16.582 3.404 -8.237 1.00 0.00 ATOM 145 H23 TYRT 6 14.933 2.792 -8.119 1.00 0.00 ATOM 146 H31 TYRT 6 18.403 1.085 -7.722 1.00 0.00 ATOM 147 H32 TYRT 6 17.150 0.243 -8.631 1.00 0.00 ATOM 148 H33 TYRT 6 17.523 -0.251 -6.982 1.00 0.00 ATOM 149 C TYRT 6 18.025 -2.634 -0.120 1.00 0.00 ATOM 150 O TYRT 6 19.120 -3.118 -0.407 1.00 0.00 ATOM 151 N GLY 7 17.275 -3.085 0.882 1.00 0.00 ATOM 152 HN GLY 7 16.411 -2.661 1.065 1.00 0.00 ATOM 153 CA GLY 7 17.723 -4.195 1.702 1.00 0.00 ATOM 154 HA1 GLY 7 18.801 -4.171 1.764 1.00 0.00 ATOM 155 HA2 GLY 7 17.420 -5.120 1.234 1.00 0.00 ATOM 156 C GLY 7 17.151 -4.146 3.106 1.00 0.00 ATOM 157 O GLY 7 16.194 -3.424 3.388 1.00 0.00 ATOM 158 O2 OME 8 17.891 -4.878 3.968 1.00 0.00 ATOM 159 C1 OME 8 17.482 -4.841 5.326 1.00 0.00 ATOM 160 H1 OME 8 16.407 -4.865 5.383 1.00 0.00 ATOM 161 H2 OME 8 17.841 -3.936 5.789 1.00 0.00 ATOM 162 H3 OME 8 17.880 -5.690 5.867 1.00 0.00 END REMARK FILENAME="accept_7.pdb" REMARK =============================================================== REMARK DATE:24-Sep-2013 17:40:58 created by user: Vermonster REMARK VERSION:1.21 ATOM 1 O BOC 1 11.204 -4.000 0.130 1.00 0.00 ATOM 2 C BOC 1 12.312 -3.582 0.467 1.00 0.00 ATOM 3 O2 BOC 1 13.497 -3.939 -0.078 1.00 0.00 ATOM 4 CQ BOC 1 13.547 -4.635 -1.369 1.00 0.00 ATOM 5 C1 BOC 1 12.785 -5.957 -1.269 1.00 0.00 ATOM 6 C2 BOC 1 12.908 -3.762 -2.449 1.00 0.00 ATOM 7 C3 BOC 1 15.008 -4.898 -1.705 1.00 0.00 ATOM 8 H11 BOC 1 12.930 -6.379 -0.287 1.00 0.00 ATOM 9 H12 BOC 1 13.158 -6.641 -2.015 1.00 0.00 ATOM 10 H13 BOC 1 11.730 -5.785 -1.435 1.00 0.00 ATOM 11 H21 BOC 1 11.859 -4.003 -2.529 1.00 0.00 ATOM 12 H22 BOC 1 13.395 -3.950 -3.393 1.00 0.00 ATOM 13 H23 BOC 1 13.018 -2.718 -2.189 1.00 0.00 ATOM 14 H31 BOC 1 15.626 -4.173 -1.199 1.00 0.00 ATOM 15 H32 BOC 1 15.150 -4.813 -2.772 1.00 0.00 ATOM 16 H33 BOC 1 15.286 -5.893 -1.385 1.00 0.00 ATOM 17 N ASPH 2 12.494 -2.704 1.448 1.00 0.00 ATOM 18 HN ASPH 2 13.399 -2.362 1.609 1.00 0.00 ATOM 19 CA ASPH 2 11.367 -1.996 2.044 1.00 0.00 ATOM 20 HA ASPH 2 10.459 -2.469 1.700 1.00 0.00 ATOM 21 CB ASPH 2 11.428 -2.090 3.569 1.00 0.00 ATOM 22 HB1 ASPH 2 12.126 -1.353 3.941 1.00 0.00 ATOM 23 HB2 ASPH 2 11.768 -3.076 3.850 1.00 0.00 ATOM 24 CG ASPH 2 10.080 -1.844 4.219 1.00 0.00 ATOM 25 OD1 ASPH 2 9.391 -0.886 3.810 1.00 0.00 ATOM 26 OD2 ASPH 2 9.714 -2.611 5.134 1.00 0.00 ATOM 27 HD ASPH 2 9.825 -0.193 3.866 1.00 0.00 ATOM 28 C ASPH 2 11.353 -0.531 1.612 1.00 0.00 ATOM 29 O ASPH 2 11.961 0.321 2.262 1.00 0.00 ATOM 30 N DPRO 3 10.658 -0.217 0.506 1.00 0.00 ATOM 31 CA DPRO 3 10.575 1.152 -0.002 1.00 0.00 ATOM 32 HA DPRO 3 10.256 1.840 0.775 1.00 0.00 ATOM 33 CB DPRO 3 9.499 1.077 -1.082 1.00 0.00 ATOM 34 HB1 DPRO 3 9.746 1.751 -1.888 1.00 0.00 ATOM 35 HB2 DPRO 3 8.542 1.346 -0.659 1.00 0.00 ATOM 36 CG DPRO 3 9.517 -0.342 -1.533 1.00 0.00 ATOM 37 HG1 DPRO 3 10.259 -0.471 -2.308 1.00 0.00 ATOM 38 HG2 DPRO 3 8.540 -0.624 -1.897 1.00 0.00 ATOM 39 CD DPRO 3 9.881 -1.158 -0.323 1.00 0.00 ATOM 40 HD1 DPRO 3 10.483 -2.008 -0.609 1.00 0.00 ATOM 41 HD2 DPRO 3 8.990 -1.483 0.194 1.00 0.00 ATOM 42 C DPRO 3 11.897 1.609 -0.615 1.00 0.00 ATOM 43 O DPRO 3 12.269 1.167 -1.702 1.00 0.00 ATOM 44 N THRB 4 12.486 2.643 -0.022 1.00 0.00 ATOM 45 HN THRB 4 12.058 3.054 0.758 1.00 0.00 ATOM 46 CA THRB 4 13.754 3.180 -0.504 1.00 0.00 ATOM 47 HA THRB 4 13.883 2.856 -1.526 1.00 0.00 ATOM 48 CB THRB 4 13.729 4.711 -0.467 1.00 0.00 ATOM 49 HB THRB 4 14.733 5.078 -0.314 1.00 0.00 ATOM 50 OG1 THRB 4 12.923 5.038 0.671 1.00 0.00 ATOM 51 CG2 THRB 4 13.203 5.338 -1.739 1.00 0.00 ATOM 52 HG21 THRB 4 12.163 5.599 -1.607 1.00 0.00 ATOM 53 HG22 THRB 4 13.298 4.636 -2.553 1.00 0.00 ATOM 54 HG23 THRB 4 13.772 6.228 -1.963 1.00 0.00 ATOM 55 C THRB 4 14.919 2.655 0.329 1.00 0.00 ATOM 56 O THRB 4 15.852 3.397 0.638 1.00 0.00 ATOM 57 CD THRB 4 13.642 5.299 1.878 1.00 0.00 ATOM 58 HD1 THRB 4 14.536 4.690 1.905 1.00 0.00 ATOM 59 HD2 THRB 4 13.919 6.340 1.918 1.00 0.00 ATOM 60 CE THRB 4 12.816 4.993 3.097 1.00 0.00 ATOM 61 CZ1 THRB 4 13.422 4.596 4.279 1.00 0.00 ATOM 62 HZ1 THRB 4 14.498 4.507 4.319 1.00 0.00 ATOM 63 CZ2 THRB 4 11.436 5.104 3.059 1.00 0.00 ATOM 64 HZ2 THRB 4 10.954 5.413 2.144 1.00 0.00 ATOM 65 CH1 THRB 4 12.665 4.315 5.400 1.00 0.00 ATOM 66 HH1 THRB 4 13.149 4.006 6.315 1.00 0.00 ATOM 67 CH2 THRB 4 10.674 4.824 4.178 1.00 0.00 ATOM 68 HH2 THRB 4 9.599 4.914 4.135 1.00 0.00 ATOM 69 CTH THRB 4 11.290 4.429 5.350 1.00 0.00 ATOM 70 HTH THRB 4 10.696 4.210 6.225 1.00 0.00 ATOM 71 N ASNT 5 14.757 1.449 0.863 1.00 0.00 ATOM 72 HN ASNT 5 13.921 0.964 0.702 1.00 0.00 ATOM 73 CA ASNT 5 15.793 0.827 1.678 1.00 0.00 ATOM 74 HA ASNT 5 16.359 1.615 2.151 1.00 0.00 ATOM 75 CB ASNT 5 15.161 -0.051 2.760 1.00 0.00 ATOM 76 HB1 ASNT 5 14.865 -0.993 2.322 1.00 0.00 ATOM 77 HB2 ASNT 5 14.290 0.448 3.156 1.00 0.00 ATOM 78 CG ASNT 5 16.113 -0.331 3.906 1.00 0.00 ATOM 79 OD1 ASNT 5 16.908 -1.271 3.873 1.00 0.00 ATOM 80 ND2 ASNT 5 16.019 0.523 4.922 1.00 0.00 ATOM 81 HD1 ASNT 5 15.370 1.253 4.854 1.00 0.00 ATOM 82 CQ ASNT 5 16.816 0.515 6.185 1.00 0.00 ATOM 83 CG1 ASNT 5 16.153 1.554 7.118 1.00 0.00 ATOM 84 CD11 ASNT 5 14.773 1.698 7.145 1.00 0.00 ATOM 85 HD11 ASNT 5 14.169 1.145 6.441 1.00 0.00 ATOM 86 CD12 ASNT 5 16.916 2.269 8.028 1.00 0.00 ATOM 87 HD12 ASNT 5 17.991 2.164 8.017 1.00 0.00 ATOM 88 CE11 ASNT 5 14.169 2.539 8.060 1.00 0.00 ATOM 89 HE11 ASNT 5 13.095 2.643 8.070 1.00 0.00 ATOM 90 CE12 ASNT 5 16.317 3.112 8.945 1.00 0.00 ATOM 91 HE12 ASNT 5 16.914 3.595 9.705 1.00 0.00 ATOM 92 CZ1 ASNT 5 14.941 3.246 8.960 1.00 0.00 ATOM 93 HZ1 ASNT 5 14.471 3.905 9.676 1.00 0.00 ATOM 94 CG2 ASNT 5 18.249 0.904 5.756 1.00 0.00 ATOM 95 CD21 ASNT 5 19.171 -0.072 5.406 1.00 0.00 ATOM 96 HD21 ASNT 5 18.911 -1.113 5.522 1.00 0.00 ATOM 97 CD22 ASNT 5 18.598 2.237 5.599 1.00 0.00 ATOM 98 HD22 ASNT 5 17.888 3.006 5.866 1.00 0.00 ATOM 99 CE21 ASNT 5 20.414 0.275 4.911 1.00 0.00 ATOM 100 HE21 ASNT 5 21.123 -0.494 4.643 1.00 0.00 ATOM 101 CE22 ASNT 5 19.840 2.590 5.104 1.00 0.00 ATOM 102 HE22 ASNT 5 20.130 3.629 5.067 1.00 0.00 ATOM 103 CZ2 ASNT 5 20.749 1.607 4.760 1.00 0.00 ATOM 104 HZ2 ASNT 5 21.720 1.880 4.375 1.00 0.00 ATOM 105 CG3 ASNT 5 16.726 -0.919 6.758 1.00 0.00 ATOM 106 CD31 ASNT 5 17.689 -1.381 7.640 1.00 0.00 ATOM 107 HD31 ASNT 5 18.551 -0.765 7.854 1.00 0.00 ATOM 108 CD32 ASNT 5 15.624 -1.718 6.492 1.00 0.00 ATOM 109 HD32 ASNT 5 14.868 -1.368 5.806 1.00 0.00 ATOM 110 CE31 ASNT 5 17.556 -2.615 8.248 1.00 0.00 ATOM 111 HE31 ASNT 5 18.313 -2.964 8.934 1.00 0.00 ATOM 112 CE32 ASNT 5 15.487 -2.954 7.096 1.00 0.00 ATOM 113 HE32 ASNT 5 14.584 -3.528 6.950 1.00 0.00 ATOM 114 CZ3 ASNT 5 16.455 -3.403 7.975 1.00 0.00 ATOM 115 HZ3 ASNT 5 16.349 -4.368 8.448 1.00 0.00 ATOM 116 C ASNT 5 16.736 -0.007 0.817 1.00 0.00 ATOM 117 O ASNT 5 17.944 -0.033 1.057 1.00 0.00 ATOM 118 N TYRT 6 16.155 -0.845 -0.036 1.00 0.00 ATOM 119 HN TYRT 6 15.176 -0.888 -0.071 1.00 0.00 ATOM 120 CA TYRT 6 16.938 -1.701 -0.919 1.00 0.00 ATOM 121 HA TYRT 6 16.248 -2.300 -1.496 1.00 0.00 ATOM 122 CB TYRT 6 17.777 -0.851 -1.876 1.00 0.00 ATOM 123 HB1 TYRT 6 18.718 -1.349 -2.060 1.00 0.00 ATOM 124 HB2 TYRT 6 17.967 0.109 -1.419 1.00 0.00 ATOM 125 CG TYRT 6 17.111 -0.604 -3.211 1.00 0.00 ATOM 126 CD1 TYRT 6 16.688 0.671 -3.573 1.00 0.00 ATOM 127 HD1 TYRT 6 16.841 1.490 -2.886 1.00 0.00 ATOM 128 CD2 TYRT 6 16.905 -1.646 -4.109 1.00 0.00 ATOM 129 HD2 TYRT 6 17.227 -2.642 -3.841 1.00 0.00 ATOM 130 CE1 TYRT 6 16.079 0.899 -4.793 1.00 0.00 ATOM 131 HE1 TYRT 6 15.756 1.895 -5.059 1.00 0.00 ATOM 132 CE2 TYRT 6 16.297 -1.425 -5.329 1.00 0.00 ATOM 133 HE2 TYRT 6 16.143 -2.246 -6.015 1.00 0.00 ATOM 134 CZ TYRT 6 15.887 -0.153 -5.660 1.00 0.00 ATOM 135 O2 TYRT 6 15.415 0.100 -6.944 1.00 0.00 ATOM 136 CQ TYRT 6 16.349 0.469 -8.016 1.00 0.00 ATOM 137 C1 TYRT 6 15.570 0.735 -9.302 1.00 0.00 ATOM 138 C2 TYRT 6 17.114 1.730 -7.617 1.00 0.00 ATOM 139 C3 TYRT 6 17.316 -0.689 -8.220 1.00 0.00 ATOM 140 H11 TYRT 6 14.577 1.077 -9.054 1.00 0.00 ATOM 141 H12 TYRT 6 15.505 -0.177 -9.875 1.00 0.00 ATOM 142 H13 TYRT 6 16.074 1.492 -9.888 1.00 0.00 ATOM 143 H21 TYRT 6 17.930 1.461 -6.965 1.00 0.00 ATOM 144 H22 TYRT 6 16.447 2.404 -7.103 1.00 0.00 ATOM 145 H23 TYRT 6 17.506 2.216 -8.501 1.00 0.00 ATOM 146 H31 TYRT 6 16.763 -1.571 -8.503 1.00 0.00 ATOM 147 H32 TYRT 6 17.848 -0.876 -7.300 1.00 0.00 ATOM 148 H33 TYRT 6 18.024 -0.444 -9.000 1.00 0.00 ATOM 149 C TYRT 6 17.842 -2.630 -0.116 1.00 0.00 ATOM 150 O TYRT 6 18.925 -3.002 -0.568 1.00 0.00 ATOM 151 N GLY 7 17.389 -3.002 1.077 1.00 0.00 ATOM 152 HN GLY 7 16.518 -2.674 1.384 1.00 0.00 ATOM 153 CA GLY 7 18.169 -3.884 1.925 1.00 0.00 ATOM 154 HA1 GLY 7 18.845 -3.289 2.522 1.00 0.00 ATOM 155 HA2 GLY 7 18.750 -4.546 1.298 1.00 0.00 ATOM 156 C GLY 7 17.303 -4.718 2.848 1.00 0.00 ATOM 157 O GLY 7 16.335 -4.234 3.435 1.00 0.00 ATOM 158 O2 OME 8 17.805 -5.963 3.008 1.00 0.00 ATOM 159 C1 OME 8 17.106 -6.802 3.914 1.00 0.00 ATOM 160 H1 OME 8 16.044 -6.693 3.766 1.00 0.00 ATOM 161 H2 OME 8 17.352 -6.530 4.927 1.00 0.00 ATOM 162 H3 OME 8 17.374 -7.840 3.757 1.00 0.00 END REMARK FILENAME="accept_8.pdb" REMARK =============================================================== REMARK DATE:24-Sep-2013 17:40:58 created by user: Vermonster REMARK VERSION:1.21 ATOM 1 O BOC 1 9.457 -2.163 3.585 1.00 0.00 ATOM 2 C BOC 1 10.657 -2.182 3.314 1.00 0.00 ATOM 3 O2 BOC 1 11.510 -3.204 3.552 1.00 0.00 ATOM 4 CQ BOC 1 11.333 -4.069 4.726 1.00 0.00 ATOM 5 C1 BOC 1 11.411 -3.228 5.999 1.00 0.00 ATOM 6 C2 BOC 1 9.970 -4.757 4.654 1.00 0.00 ATOM 7 C3 BOC 1 12.445 -5.109 4.716 1.00 0.00 ATOM 8 H11 BOC 1 10.778 -3.665 6.755 1.00 0.00 ATOM 9 H12 BOC 1 11.078 -2.224 5.785 1.00 0.00 ATOM 10 H13 BOC 1 12.431 -3.199 6.358 1.00 0.00 ATOM 11 H21 BOC 1 9.679 -4.864 3.622 1.00 0.00 ATOM 12 H22 BOC 1 9.241 -4.156 5.176 1.00 0.00 ATOM 13 H23 BOC 1 10.028 -5.733 5.116 1.00 0.00 ATOM 14 H31 BOC 1 12.117 -5.976 4.165 1.00 0.00 ATOM 15 H32 BOC 1 12.678 -5.390 5.730 1.00 0.00 ATOM 16 H33 BOC 1 13.328 -4.697 4.246 1.00 0.00 ATOM 17 N ASPH 2 11.295 -1.166 2.742 1.00 0.00 ATOM 18 HN ASPH 2 12.235 -1.285 2.489 1.00 0.00 ATOM 19 CA ASPH 2 10.561 -0.038 2.182 1.00 0.00 ATOM 20 HA ASPH 2 9.535 -0.344 2.049 1.00 0.00 ATOM 21 CB ASPH 2 10.602 1.151 3.146 1.00 0.00 ATOM 22 HB1 ASPH 2 11.365 1.843 2.821 1.00 0.00 ATOM 23 HB2 ASPH 2 10.842 0.795 4.136 1.00 0.00 ATOM 24 CG ASPH 2 9.279 1.890 3.209 1.00 0.00 ATOM 25 OD1 ASPH 2 8.496 1.623 4.144 1.00 0.00 ATOM 26 OD2 ASPH 2 9.029 2.735 2.325 1.00 0.00 ATOM 27 HD ASPH 2 8.872 1.751 4.861 1.00 0.00 ATOM 28 C ASPH 2 11.137 0.369 0.828 1.00 0.00 ATOM 29 O ASPH 2 12.182 1.016 0.759 1.00 0.00 ATOM 30 N DPRO 3 10.462 -0.006 -0.274 1.00 0.00 ATOM 31 CA DPRO 3 10.922 0.327 -1.621 1.00 0.00 ATOM 32 HA DPRO 3 10.823 1.391 -1.818 1.00 0.00 ATOM 33 CB DPRO 3 9.975 -0.445 -2.533 1.00 0.00 ATOM 34 HB1 DPRO 3 10.410 -1.402 -2.781 1.00 0.00 ATOM 35 HB2 DPRO 3 9.796 0.122 -3.435 1.00 0.00 ATOM 36 CG DPRO 3 8.730 -0.606 -1.733 1.00 0.00 ATOM 37 HG1 DPRO 3 8.213 -1.506 -2.035 1.00 0.00 ATOM 38 HG2 DPRO 3 8.093 0.255 -1.867 1.00 0.00 ATOM 39 CD DPRO 3 9.167 -0.714 -0.297 1.00 0.00 ATOM 40 HD1 DPRO 3 9.290 -1.749 -0.016 1.00 0.00 ATOM 41 HD2 DPRO 3 8.452 -0.228 0.351 1.00 0.00 ATOM 42 C DPRO 3 12.361 -0.130 -1.858 1.00 0.00 ATOM 43 O DPRO 3 12.595 -1.259 -2.290 1.00 0.00 ATOM 44 N THRB 4 13.292 0.815 -1.780 1.00 0.00 ATOM 45 HN THRB 4 13.023 1.736 -1.581 1.00 0.00 ATOM 46 CA THRB 4 14.706 0.516 -1.984 1.00 0.00 ATOM 47 HA THRB 4 14.802 -0.550 -2.124 1.00 0.00 ATOM 48 CB THRB 4 15.225 1.230 -3.234 1.00 0.00 ATOM 49 HB THRB 4 16.283 1.412 -3.123 1.00 0.00 ATOM 50 OG1 THRB 4 14.526 2.480 -3.257 1.00 0.00 ATOM 51 CG2 THRB 4 15.028 0.440 -4.509 1.00 0.00 ATOM 52 HG21 THRB 4 14.989 1.118 -5.349 1.00 0.00 ATOM 53 HG22 THRB 4 14.102 -0.113 -4.449 1.00 0.00 ATOM 54 HG23 THRB 4 15.851 -0.245 -4.637 1.00 0.00 ATOM 55 C THRB 4 15.529 0.928 -0.767 1.00 0.00 ATOM 56 O THRB 4 16.618 1.486 -0.908 1.00 0.00 ATOM 57 CD THRB 4 15.318 3.621 -3.601 1.00 0.00 ATOM 58 HD1 THRB 4 15.691 4.084 -2.698 1.00 0.00 ATOM 59 HD2 THRB 4 16.148 3.316 -4.215 1.00 0.00 ATOM 60 CE THRB 4 14.524 4.639 -4.371 1.00 0.00 ATOM 61 CZ1 THRB 4 14.454 4.582 -5.753 1.00 0.00 ATOM 62 HZ1 THRB 4 14.977 3.796 -6.278 1.00 0.00 ATOM 63 CZ2 THRB 4 13.847 5.653 -3.710 1.00 0.00 ATOM 64 HZ2 THRB 4 13.895 5.708 -2.632 1.00 0.00 ATOM 65 CH1 THRB 4 13.725 5.517 -6.464 1.00 0.00 ATOM 66 HH1 THRB 4 13.679 5.461 -7.541 1.00 0.00 ATOM 67 CH2 THRB 4 13.116 6.591 -4.416 1.00 0.00 ATOM 68 HH2 THRB 4 12.594 7.376 -3.889 1.00 0.00 ATOM 69 CTH THRB 4 13.055 6.522 -5.794 1.00 0.00 ATOM 70 HTH THRB 4 12.484 7.254 -6.347 1.00 0.00 ATOM 71 N ASNT 5 14.912 0.847 0.407 1.00 0.00 ATOM 72 HN ASNT 5 13.983 0.535 0.438 1.00 0.00 ATOM 73 CA ASNT 5 15.583 1.208 1.649 1.00 0.00 ATOM 74 HA ASNT 5 16.359 1.921 1.412 1.00 0.00 ATOM 75 CB ASNT 5 14.594 1.856 2.619 1.00 0.00 ATOM 76 HB1 ASNT 5 14.954 1.732 3.629 1.00 0.00 ATOM 77 HB2 ASNT 5 13.634 1.370 2.522 1.00 0.00 ATOM 78 CG ASNT 5 14.410 3.337 2.354 1.00 0.00 ATOM 79 OD1 ASNT 5 14.393 3.793 1.210 1.00 0.00 ATOM 80 ND2 ASNT 5 14.258 4.078 3.449 1.00 0.00 ATOM 81 HD1 ASNT 5 14.268 3.626 4.319 1.00 0.00 ATOM 82 CQ ASNT 5 14.070 5.557 3.519 1.00 0.00 ATOM 83 CG1 ASNT 5 12.908 5.886 2.556 1.00 0.00 ATOM 84 CD11 ASNT 5 11.911 4.955 2.307 1.00 0.00 ATOM 85 HD11 ASNT 5 11.999 3.961 2.718 1.00 0.00 ATOM 86 CD12 ASNT 5 12.780 7.159 2.023 1.00 0.00 ATOM 87 HD12 ASNT 5 13.552 7.892 2.212 1.00 0.00 ATOM 88 CE11 ASNT 5 10.810 5.288 1.541 1.00 0.00 ATOM 89 HE11 ASNT 5 10.040 4.554 1.353 1.00 0.00 ATOM 90 CE12 ASNT 5 11.682 7.497 1.255 1.00 0.00 ATOM 91 HE12 ASNT 5 11.638 8.463 0.773 1.00 0.00 ATOM 92 CZ1 ASNT 5 10.696 6.560 1.014 1.00 0.00 ATOM 93 HZ1 ASNT 5 9.837 6.821 0.414 1.00 0.00 ATOM 94 CG2 ASNT 5 15.424 6.152 3.067 1.00 0.00 ATOM 95 CD21 ASNT 5 16.464 6.301 3.972 1.00 0.00 ATOM 96 HD21 ASNT 5 16.292 6.083 5.017 1.00 0.00 ATOM 97 CD22 ASNT 5 15.660 6.433 1.730 1.00 0.00 ATOM 98 HD22 ASNT 5 14.859 6.320 1.015 1.00 0.00 ATOM 99 CE21 ASNT 5 17.711 6.721 3.553 1.00 0.00 ATOM 100 HE21 ASNT 5 18.512 6.834 4.269 1.00 0.00 ATOM 101 CE22 ASNT 5 16.906 6.855 1.305 1.00 0.00 ATOM 102 HE22 ASNT 5 17.053 7.154 0.278 1.00 0.00 ATOM 103 CZ2 ASNT 5 17.933 6.999 2.218 1.00 0.00 ATOM 104 HZ2 ASNT 5 18.907 7.328 1.889 1.00 0.00 ATOM 105 CG3 ASNT 5 13.720 5.895 4.989 1.00 0.00 ATOM 106 CD31 ASNT 5 14.095 7.111 5.539 1.00 0.00 ATOM 107 HD31 ASNT 5 14.715 7.784 4.964 1.00 0.00 ATOM 108 CD32 ASNT 5 12.924 5.041 5.737 1.00 0.00 ATOM 109 HD32 ASNT 5 12.625 4.092 5.318 1.00 0.00 ATOM 110 CE31 ASNT 5 13.685 7.467 6.809 1.00 0.00 ATOM 111 HE31 ASNT 5 13.984 8.418 7.227 1.00 0.00 ATOM 112 CE32 ASNT 5 12.512 5.393 7.009 1.00 0.00 ATOM 113 HE32 ASNT 5 11.971 4.681 7.615 1.00 0.00 ATOM 114 CZ3 ASNT 5 12.893 6.607 7.545 1.00 0.00 ATOM 115 HZ3 ASNT 5 12.572 6.884 8.539 1.00 0.00 ATOM 116 C ASNT 5 16.223 -0.015 2.299 1.00 0.00 ATOM 117 O ASNT 5 17.164 0.113 3.083 1.00 0.00 ATOM 118 N TYRT 6 15.573 -1.164 2.140 1.00 0.00 ATOM 119 HN TYRT 6 14.738 -1.173 1.627 1.00 0.00 ATOM 120 CA TYRT 6 16.073 -2.410 2.706 1.00 0.00 ATOM 121 HA TYRT 6 16.252 -2.246 3.759 1.00 0.00 ATOM 122 CB TYRT 6 15.035 -3.522 2.547 1.00 0.00 ATOM 123 HB1 TYRT 6 14.108 -3.207 3.003 1.00 0.00 ATOM 124 HB2 TYRT 6 15.390 -4.412 3.044 1.00 0.00 ATOM 125 CG TYRT 6 14.747 -3.880 1.105 1.00 0.00 ATOM 126 CD1 TYRT 6 13.627 -3.375 0.454 1.00 0.00 ATOM 127 HD1 TYRT 6 12.958 -2.717 0.991 1.00 0.00 ATOM 128 CD2 TYRT 6 15.595 -4.724 0.397 1.00 0.00 ATOM 129 HD2 TYRT 6 16.469 -5.125 0.890 1.00 0.00 ATOM 130 CE1 TYRT 6 13.360 -3.700 -0.863 1.00 0.00 ATOM 131 HE1 TYRT 6 12.487 -3.298 -1.354 1.00 0.00 ATOM 132 CE2 TYRT 6 15.336 -5.054 -0.920 1.00 0.00 ATOM 133 HE2 TYRT 6 16.005 -5.711 -1.456 1.00 0.00 ATOM 134 CZ TYRT 6 14.219 -4.538 -1.538 1.00 0.00 ATOM 135 O2 TYRT 6 14.036 -4.746 -2.900 1.00 0.00 ATOM 136 CQ TYRT 6 13.282 -5.914 -3.373 1.00 0.00 ATOM 137 C1 TYRT 6 13.966 -7.193 -2.894 1.00 0.00 ATOM 138 C2 TYRT 6 11.859 -5.860 -2.818 1.00 0.00 ATOM 139 C3 TYRT 6 13.253 -5.872 -4.894 1.00 0.00 ATOM 140 H11 TYRT 6 13.793 -7.315 -1.836 1.00 0.00 ATOM 141 H12 TYRT 6 15.026 -7.123 -3.081 1.00 0.00 ATOM 142 H13 TYRT 6 13.563 -8.045 -3.424 1.00 0.00 ATOM 143 H21 TYRT 6 11.884 -5.491 -1.805 1.00 0.00 ATOM 144 H22 TYRT 6 11.434 -6.853 -2.830 1.00 0.00 ATOM 145 H23 TYRT 6 11.252 -5.203 -3.426 1.00 0.00 ATOM 146 H31 TYRT 6 12.537 -5.134 -5.217 1.00 0.00 ATOM 147 H32 TYRT 6 12.969 -6.843 -5.271 1.00 0.00 ATOM 148 H33 TYRT 6 14.232 -5.614 -5.272 1.00 0.00 ATOM 149 C TYRT 6 17.384 -2.823 2.044 1.00 0.00 ATOM 150 O TYRT 6 18.242 -3.440 2.675 1.00 0.00 ATOM 151 N GLY 7 17.531 -2.478 0.769 1.00 0.00 ATOM 152 HN GLY 7 16.813 -1.987 0.319 1.00 0.00 ATOM 153 CA GLY 7 18.739 -2.821 0.044 1.00 0.00 ATOM 154 HA1 GLY 7 18.599 -2.581 -1.001 1.00 0.00 ATOM 155 HA2 GLY 7 18.914 -3.883 0.137 1.00 0.00 ATOM 156 C GLY 7 19.956 -2.077 0.557 1.00 0.00 ATOM 157 O GLY 7 20.302 -2.143 1.738 1.00 0.00 ATOM 158 O2 OME 8 20.491 -1.283 -0.396 1.00 0.00 ATOM 159 C1 OME 8 21.594 -0.486 0.004 1.00 0.00 ATOM 160 H1 OME 8 22.068 -0.057 -0.863 1.00 0.00 ATOM 161 H2 OME 8 22.309 -1.094 0.533 1.00 0.00 ATOM 162 H3 OME 8 21.269 0.316 0.655 1.00 0.00 END REMARK FILENAME="accept_9.pdb" REMARK =============================================================== REMARK DATE:24-Sep-2013 17:41:01 created by user: Vermonster REMARK VERSION:1.21 ATOM 1 O BOC 1 10.229 -4.464 1.414 1.00 0.00 ATOM 2 C BOC 1 11.217 -3.940 0.901 1.00 0.00 ATOM 3 O2 BOC 1 12.055 -4.522 0.013 1.00 0.00 ATOM 4 CQ BOC 1 13.317 -5.126 0.460 1.00 0.00 ATOM 5 C1 BOC 1 14.184 -4.062 1.132 1.00 0.00 ATOM 6 C2 BOC 1 13.024 -6.245 1.458 1.00 0.00 ATOM 7 C3 BOC 1 14.029 -5.686 -0.762 1.00 0.00 ATOM 8 H11 BOC 1 15.078 -4.525 1.523 1.00 0.00 ATOM 9 H12 BOC 1 13.630 -3.607 1.939 1.00 0.00 ATOM 10 H13 BOC 1 14.460 -3.304 0.412 1.00 0.00 ATOM 11 H21 BOC 1 13.019 -5.841 2.458 1.00 0.00 ATOM 12 H22 BOC 1 13.787 -7.004 1.378 1.00 0.00 ATOM 13 H23 BOC 1 12.058 -6.685 1.243 1.00 0.00 ATOM 14 H31 BOC 1 15.074 -5.829 -0.532 1.00 0.00 ATOM 15 H32 BOC 1 13.931 -4.992 -1.582 1.00 0.00 ATOM 16 H33 BOC 1 13.591 -6.635 -1.039 1.00 0.00 ATOM 17 N ASPH 2 11.607 -2.698 1.165 1.00 0.00 ATOM 18 HN ASPH 2 12.360 -2.324 0.661 1.00 0.00 ATOM 19 CA ASPH 2 10.751 -1.785 1.915 1.00 0.00 ATOM 20 HA ASPH 2 9.726 -2.002 1.652 1.00 0.00 ATOM 21 CB ASPH 2 10.936 -1.999 3.418 1.00 0.00 ATOM 22 HB1 ASPH 2 11.597 -1.239 3.807 1.00 0.00 ATOM 23 HB2 ASPH 2 11.374 -2.973 3.586 1.00 0.00 ATOM 24 CG ASPH 2 9.626 -1.929 4.177 1.00 0.00 ATOM 25 OD1 ASPH 2 9.180 -2.977 4.691 1.00 0.00 ATOM 26 OD2 ASPH 2 9.045 -0.826 4.258 1.00 0.00 ATOM 27 HD ASPH 2 8.362 -2.934 4.733 1.00 0.00 ATOM 28 C ASPH 2 11.055 -0.333 1.553 1.00 0.00 ATOM 29 O ASPH 2 11.867 0.321 2.208 1.00 0.00 ATOM 30 N DPRO 3 10.404 0.192 0.502 1.00 0.00 ATOM 31 CA DPRO 3 10.611 1.572 0.062 1.00 0.00 ATOM 32 HA DPRO 3 10.532 2.265 0.895 1.00 0.00 ATOM 33 CB DPRO 3 9.464 1.821 -0.912 1.00 0.00 ATOM 34 HB1 DPRO 3 9.798 2.470 -1.709 1.00 0.00 ATOM 35 HB2 DPRO 3 8.637 2.279 -0.389 1.00 0.00 ATOM 36 CG DPRO 3 9.105 0.471 -1.425 1.00 0.00 ATOM 37 HG1 DPRO 3 9.728 0.221 -2.271 1.00 0.00 ATOM 38 HG2 DPRO 3 8.063 0.449 -1.706 1.00 0.00 ATOM 39 CD DPRO 3 9.360 -0.484 -0.291 1.00 0.00 ATOM 40 HD1 DPRO 3 9.717 -1.432 -0.668 1.00 0.00 ATOM 41 HD2 DPRO 3 8.462 -0.625 0.293 1.00 0.00 ATOM 42 C DPRO 3 11.951 1.743 -0.654 1.00 0.00 ATOM 43 O DPRO 3 12.136 1.237 -1.761 1.00 0.00 ATOM 44 N THRB 4 12.787 2.627 -0.120 1.00 0.00 ATOM 45 HN THRB 4 12.515 3.115 0.686 1.00 0.00 ATOM 46 CA THRB 4 14.098 2.889 -0.702 1.00 0.00 ATOM 47 HA THRB 4 14.146 2.380 -1.653 1.00 0.00 ATOM 48 CB THRB 4 14.288 4.390 -0.930 1.00 0.00 ATOM 49 HB THRB 4 15.343 4.607 -1.001 1.00 0.00 ATOM 50 OG1 THRB 4 13.749 5.011 0.242 1.00 0.00 ATOM 51 CG2 THRB 4 13.633 4.897 -2.196 1.00 0.00 ATOM 52 HG21 THRB 4 14.391 5.099 -2.938 1.00 0.00 ATOM 53 HG22 THRB 4 13.088 5.804 -1.981 1.00 0.00 ATOM 54 HG23 THRB 4 12.952 4.148 -2.574 1.00 0.00 ATOM 55 C THRB 4 15.210 2.354 0.197 1.00 0.00 ATOM 56 O THRB 4 16.238 3.007 0.377 1.00 0.00 ATOM 57 CD THRB 4 14.710 5.565 1.147 1.00 0.00 ATOM 58 HD1 THRB 4 14.370 5.426 2.163 1.00 0.00 ATOM 59 HD2 THRB 4 15.659 5.071 1.017 1.00 0.00 ATOM 60 CE THRB 4 14.918 7.035 0.907 1.00 0.00 ATOM 61 CZ1 THRB 4 15.094 7.906 1.970 1.00 0.00 ATOM 62 HZ1 THRB 4 15.080 7.520 2.978 1.00 0.00 ATOM 63 CZ2 THRB 4 14.939 7.544 -0.382 1.00 0.00 ATOM 64 HZ2 THRB 4 14.803 6.874 -1.218 1.00 0.00 ATOM 65 CH1 THRB 4 15.285 9.257 1.753 1.00 0.00 ATOM 66 HH1 THRB 4 15.420 9.925 2.590 1.00 0.00 ATOM 67 CH2 THRB 4 15.130 8.894 -0.605 1.00 0.00 ATOM 68 HH2 THRB 4 15.144 9.279 -1.614 1.00 0.00 ATOM 69 CTH THRB 4 15.303 9.752 0.463 1.00 0.00 ATOM 70 HTH THRB 4 15.453 10.808 0.292 1.00 0.00 ATOM 71 N ASNT 5 14.907 1.280 0.919 1.00 0.00 ATOM 72 HN ASNT 5 14.011 0.890 0.845 1.00 0.00 ATOM 73 CA ASNT 5 15.877 0.666 1.819 1.00 0.00 ATOM 74 HA ASNT 5 16.408 1.460 2.324 1.00 0.00 ATOM 75 CB ASNT 5 15.163 -0.196 2.861 1.00 0.00 ATOM 76 HB1 ASNT 5 15.787 -1.041 3.110 1.00 0.00 ATOM 77 HB2 ASNT 5 14.232 -0.553 2.447 1.00 0.00 ATOM 78 CG ASNT 5 14.858 0.568 4.134 1.00 0.00 ATOM 79 OD1 ASNT 5 15.106 0.099 5.245 1.00 0.00 ATOM 80 ND2 ASNT 5 14.328 1.773 3.938 1.00 0.00 ATOM 81 HD1 ASNT 5 14.185 2.071 3.016 1.00 0.00 ATOM 82 CQ ASNT 5 13.921 2.762 4.980 1.00 0.00 ATOM 83 CG1 ASNT 5 15.225 3.159 5.707 1.00 0.00 ATOM 84 CD11 ASNT 5 16.436 3.162 5.032 1.00 0.00 ATOM 85 HD11 ASNT 5 16.477 2.796 4.015 1.00 0.00 ATOM 86 CD12 ASNT 5 15.185 3.630 7.009 1.00 0.00 ATOM 87 HD12 ASNT 5 14.247 3.632 7.544 1.00 0.00 ATOM 88 CE11 ASNT 5 17.584 3.625 5.643 1.00 0.00 ATOM 89 HE11 ASNT 5 18.522 3.622 5.107 1.00 0.00 ATOM 90 CE12 ASNT 5 16.331 4.095 7.627 1.00 0.00 ATOM 91 HE12 ASNT 5 16.269 4.545 8.607 1.00 0.00 ATOM 92 CZ1 ASNT 5 17.531 4.093 6.943 1.00 0.00 ATOM 93 HZ1 ASNT 5 18.428 4.456 7.423 1.00 0.00 ATOM 94 CG2 ASNT 5 12.922 2.013 5.896 1.00 0.00 ATOM 95 CD21 ASNT 5 11.568 1.989 5.594 1.00 0.00 ATOM 96 HD21 ASNT 5 11.198 2.570 4.766 1.00 0.00 ATOM 97 CD22 ASNT 5 13.381 1.258 6.965 1.00 0.00 ATOM 98 HD22 ASNT 5 14.432 1.269 7.209 1.00 0.00 ATOM 99 CE21 ASNT 5 10.692 1.227 6.344 1.00 0.00 ATOM 100 HE21 ASNT 5 9.639 1.216 6.101 1.00 0.00 ATOM 101 CE22 ASNT 5 12.507 0.496 7.719 1.00 0.00 ATOM 102 HE22 ASNT 5 12.862 -0.016 8.601 1.00 0.00 ATOM 103 CZ2 ASNT 5 11.161 0.481 7.408 1.00 0.00 ATOM 104 HZ2 ASNT 5 10.478 -0.114 7.994 1.00 0.00 ATOM 105 CG3 ASNT 5 13.275 3.959 4.238 1.00 0.00 ATOM 106 CD31 ASNT 5 12.485 3.753 3.116 1.00 0.00 ATOM 107 HD31 ASNT 5 12.392 2.758 2.708 1.00 0.00 ATOM 108 CD32 ASNT 5 13.384 5.242 4.751 1.00 0.00 ATOM 109 HD32 ASNT 5 13.997 5.413 5.624 1.00 0.00 ATOM 110 CE31 ASNT 5 11.818 4.807 2.520 1.00 0.00 ATOM 111 HE31 ASNT 5 11.206 4.635 1.647 1.00 0.00 ATOM 112 CE32 ASNT 5 12.719 6.299 4.158 1.00 0.00 ATOM 113 HE32 ASNT 5 12.749 7.278 4.614 1.00 0.00 ATOM 114 CZ3 ASNT 5 11.935 6.081 3.042 1.00 0.00 ATOM 115 HZ3 ASNT 5 11.414 6.906 2.577 1.00 0.00 ATOM 116 C ASNT 5 16.880 -0.180 1.042 1.00 0.00 ATOM 117 O ASNT 5 18.015 -0.367 1.483 1.00 0.00 ATOM 118 N TYRT 6 16.392 -0.856 0.008 1.00 0.00 ATOM 119 HN TYRT 6 15.437 -0.783 -0.204 1.00 0.00 ATOM 120 CA TYRT 6 17.242 -1.703 -0.822 1.00 0.00 ATOM 121 HA TYRT 6 16.617 -2.163 -1.574 1.00 0.00 ATOM 122 CB TYRT 6 18.316 -0.863 -1.514 1.00 0.00 ATOM 123 HB1 TYRT 6 18.853 -1.484 -2.215 1.00 0.00 ATOM 124 HB2 TYRT 6 19.004 -0.488 -0.772 1.00 0.00 ATOM 125 CG TYRT 6 17.762 0.323 -2.273 1.00 0.00 ATOM 126 CD1 TYRT 6 17.592 1.554 -1.647 1.00 0.00 ATOM 127 HD1 TYRT 6 17.861 1.656 -0.607 1.00 0.00 ATOM 128 CD2 TYRT 6 17.410 0.211 -3.614 1.00 0.00 ATOM 129 HD2 TYRT 6 17.535 -0.739 -4.113 1.00 0.00 ATOM 130 CE1 TYRT 6 17.086 2.639 -2.337 1.00 0.00 ATOM 131 HE1 TYRT 6 16.962 3.589 -1.837 1.00 0.00 ATOM 132 CE2 TYRT 6 16.904 1.292 -4.309 1.00 0.00 ATOM 133 HE2 TYRT 6 16.634 1.188 -5.350 1.00 0.00 ATOM 134 CZ TYRT 6 16.746 2.498 -3.664 1.00 0.00 ATOM 135 O2 TYRT 6 16.381 3.622 -4.397 1.00 0.00 ATOM 136 CQ TYRT 6 17.362 4.285 -5.266 1.00 0.00 ATOM 137 C1 TYRT 6 18.548 4.761 -4.428 1.00 0.00 ATOM 138 C2 TYRT 6 17.853 3.301 -6.326 1.00 0.00 ATOM 139 C3 TYRT 6 16.678 5.472 -5.929 1.00 0.00 ATOM 140 H11 TYRT 6 18.287 5.684 -3.934 1.00 0.00 ATOM 141 H12 TYRT 6 19.398 4.922 -5.072 1.00 0.00 ATOM 142 H13 TYRT 6 18.796 4.015 -3.685 1.00 0.00 ATOM 143 H21 TYRT 6 17.010 2.763 -6.732 1.00 0.00 ATOM 144 H22 TYRT 6 18.543 2.605 -5.874 1.00 0.00 ATOM 145 H23 TYRT 6 18.353 3.836 -7.121 1.00 0.00 ATOM 146 H31 TYRT 6 16.284 5.167 -6.886 1.00 0.00 ATOM 147 H32 TYRT 6 17.397 6.263 -6.069 1.00 0.00 ATOM 148 H33 TYRT 6 15.871 5.827 -5.303 1.00 0.00 ATOM 149 C TYRT 6 17.897 -2.801 0.012 1.00 0.00 ATOM 150 O TYRT 6 18.996 -3.259 -0.301 1.00 0.00 ATOM 151 N GLY 7 17.215 -3.218 1.074 1.00 0.00 ATOM 152 HN GLY 7 16.344 -2.816 1.274 1.00 0.00 ATOM 153 CA GLY 7 17.747 -4.257 1.934 1.00 0.00 ATOM 154 HA1 GLY 7 17.917 -5.147 1.345 1.00 0.00 ATOM 155 HA2 GLY 7 17.021 -4.481 2.702 1.00 0.00 ATOM 156 C GLY 7 19.050 -3.853 2.596 1.00 0.00 ATOM 157 O GLY 7 19.805 -3.027 2.082 1.00 0.00 ATOM 158 O2 OME 8 19.293 -4.589 3.704 1.00 0.00 ATOM 159 C1 OME 8 20.526 -4.339 4.358 1.00 0.00 ATOM 160 H1 OME 8 20.471 -3.405 4.894 1.00 0.00 ATOM 161 H2 OME 8 21.320 -4.283 3.632 1.00 0.00 ATOM 162 H3 OME 8 20.752 -5.131 5.061 1.00 0.00 END REMARK FILENAME="accept_10.pdb" REMARK =============================================================== REMARK DATE:24-Sep-2013 17:41:02 created by user: Vermonster REMARK VERSION:1.21 ATOM 1 O BOC 1 12.861 0.196 2.654 1.00 0.00 ATOM 2 C BOC 1 12.128 -0.611 3.225 1.00 0.00 ATOM 3 O2 BOC 1 12.509 -1.505 4.165 1.00 0.00 ATOM 4 CQ BOC 1 12.812 -1.071 5.536 1.00 0.00 ATOM 5 C1 BOC 1 13.259 -2.275 6.365 1.00 0.00 ATOM 6 C2 BOC 1 13.932 -0.031 5.511 1.00 0.00 ATOM 7 C3 BOC 1 11.548 -0.466 6.131 1.00 0.00 ATOM 8 H11 BOC 1 13.456 -1.958 7.376 1.00 0.00 ATOM 9 H12 BOC 1 14.157 -2.690 5.935 1.00 0.00 ATOM 10 H13 BOC 1 12.481 -3.026 6.368 1.00 0.00 ATOM 11 H21 BOC 1 14.573 -0.217 4.663 1.00 0.00 ATOM 12 H22 BOC 1 14.507 -0.104 6.421 1.00 0.00 ATOM 13 H23 BOC 1 13.510 0.961 5.432 1.00 0.00 ATOM 14 H31 BOC 1 10.687 -0.993 5.750 1.00 0.00 ATOM 15 H32 BOC 1 11.487 0.575 5.857 1.00 0.00 ATOM 16 H33 BOC 1 11.572 -0.552 7.210 1.00 0.00 ATOM 17 N ASPH 2 10.826 -0.718 2.979 1.00 0.00 ATOM 18 HN ASPH 2 10.295 -1.332 3.528 1.00 0.00 ATOM 19 CA ASPH 2 10.128 0.278 2.174 1.00 0.00 ATOM 20 HA ASPH 2 9.095 -0.023 2.098 1.00 0.00 ATOM 21 CB ASPH 2 10.198 1.649 2.850 1.00 0.00 ATOM 22 HB1 ASPH 2 10.229 2.417 2.091 1.00 0.00 ATOM 23 HB2 ASPH 2 11.094 1.704 3.448 1.00 0.00 ATOM 24 CG ASPH 2 9.006 1.912 3.749 1.00 0.00 ATOM 25 OD1 ASPH 2 8.385 2.987 3.613 1.00 0.00 ATOM 26 OD2 ASPH 2 8.694 1.042 4.590 1.00 0.00 ATOM 27 HD ASPH 2 8.904 3.615 3.701 1.00 0.00 ATOM 28 C ASPH 2 10.723 0.358 0.770 1.00 0.00 ATOM 29 O ASPH 2 11.628 1.153 0.515 1.00 0.00 ATOM 30 N DPRO 3 10.219 -0.468 -0.162 1.00 0.00 ATOM 31 CA DPRO 3 10.706 -0.482 -1.540 1.00 0.00 ATOM 32 HA DPRO 3 10.628 0.501 -1.995 1.00 0.00 ATOM 33 CB DPRO 3 9.762 -1.445 -2.256 1.00 0.00 ATOM 34 HB1 DPRO 3 10.310 -2.009 -2.995 1.00 0.00 ATOM 35 HB2 DPRO 3 8.969 -0.887 -2.734 1.00 0.00 ATOM 36 CG DPRO 3 9.234 -2.328 -1.180 1.00 0.00 ATOM 37 HG1 DPRO 3 9.906 -3.159 -1.025 1.00 0.00 ATOM 38 HG2 DPRO 3 8.251 -2.684 -1.446 1.00 0.00 ATOM 39 CD DPRO 3 9.165 -1.476 0.057 1.00 0.00 ATOM 40 HD1 DPRO 3 9.374 -2.067 0.936 1.00 0.00 ATOM 41 HD2 DPRO 3 8.194 -1.008 0.138 1.00 0.00 ATOM 42 C DPRO 3 12.142 -1.000 -1.628 1.00 0.00 ATOM 43 O DPRO 3 12.370 -2.209 -1.646 1.00 0.00 ATOM 44 N THRB 4 13.072 -0.089 -1.898 1.00 0.00 ATOM 45 HN THRB 4 12.804 0.845 -2.025 1.00 0.00 ATOM 46 CA THRB 4 14.482 -0.446 -2.008 1.00 0.00 ATOM 47 HA THRB 4 14.590 -1.471 -1.685 1.00 0.00 ATOM 48 CB THRB 4 14.946 -0.331 -3.462 1.00 0.00 ATOM 49 HB THRB 4 16.025 -0.320 -3.488 1.00 0.00 ATOM 50 OG1 THRB 4 14.442 0.934 -3.909 1.00 0.00 ATOM 51 CG2 THRB 4 14.480 -1.473 -4.337 1.00 0.00 ATOM 52 HG21 THRB 4 13.407 -1.425 -4.453 1.00 0.00 ATOM 53 HG22 THRB 4 14.751 -2.413 -3.879 1.00 0.00 ATOM 54 HG23 THRB 4 14.950 -1.397 -5.308 1.00 0.00 ATOM 55 C THRB 4 15.340 0.444 -1.113 1.00 0.00 ATOM 56 O THRB 4 16.246 1.128 -1.592 1.00 0.00 ATOM 57 CD THRB 4 15.406 1.818 -4.491 1.00 0.00 ATOM 58 HD1 THRB 4 15.431 2.742 -3.928 1.00 0.00 ATOM 59 HD2 THRB 4 16.382 1.362 -4.468 1.00 0.00 ATOM 60 CE THRB 4 15.079 2.137 -5.923 1.00 0.00 ATOM 61 CZ1 THRB 4 14.097 3.066 -6.231 1.00 0.00 ATOM 62 HZ1 THRB 4 13.567 3.563 -5.433 1.00 0.00 ATOM 63 CZ2 THRB 4 15.751 1.508 -6.958 1.00 0.00 ATOM 64 HZ2 THRB 4 16.517 0.783 -6.728 1.00 0.00 ATOM 65 CH1 THRB 4 13.794 3.361 -7.547 1.00 0.00 ATOM 66 HH1 THRB 4 13.026 4.086 -7.776 1.00 0.00 ATOM 67 CH2 THRB 4 15.451 1.800 -8.275 1.00 0.00 ATOM 68 HH2 THRB 4 15.983 1.302 -9.072 1.00 0.00 ATOM 69 CTH THRB 4 14.472 2.726 -8.570 1.00 0.00 ATOM 70 HTH THRB 4 14.236 2.956 -9.599 1.00 0.00 ATOM 71 N ASNT 5 14.913 0.592 0.137 1.00 0.00 ATOM 72 HN ASNT 5 14.093 0.137 0.420 1.00 0.00 ATOM 73 CA ASNT 5 15.639 1.414 1.100 1.00 0.00 ATOM 74 HA ASNT 5 16.318 2.047 0.549 1.00 0.00 ATOM 75 CB ASNT 5 14.666 2.294 1.887 1.00 0.00 ATOM 76 HB1 ASNT 5 14.418 1.803 2.816 1.00 0.00 ATOM 77 HB2 ASNT 5 13.765 2.433 1.306 1.00 0.00 ATOM 78 CG ASNT 5 15.246 3.658 2.203 1.00 0.00 ATOM 79 OD1 ASNT 5 15.306 4.085 3.357 1.00 0.00 ATOM 80 ND2 ASNT 5 15.686 4.328 1.142 1.00 0.00 ATOM 81 HD1 ASNT 5 15.612 3.904 0.261 1.00 0.00 ATOM 82 CQ ASNT 5 16.310 5.686 1.126 1.00 0.00 ATOM 83 CG1 ASNT 5 16.397 6.102 -0.360 1.00 0.00 ATOM 84 CD11 ASNT 5 15.384 5.771 -1.246 1.00 0.00 ATOM 85 HD11 ASNT 5 14.575 5.137 -0.913 1.00 0.00 ATOM 86 CD12 ASNT 5 17.428 6.918 -0.800 1.00 0.00 ATOM 87 HD12 ASNT 5 18.223 7.183 -0.119 1.00 0.00 ATOM 88 CE11 ASNT 5 15.399 6.243 -2.545 1.00 0.00 ATOM 89 HE11 ASNT 5 14.604 5.977 -3.226 1.00 0.00 ATOM 90 CE12 ASNT 5 17.449 7.393 -2.099 1.00 0.00 ATOM 91 HE12 ASNT 5 18.303 7.949 -2.455 1.00 0.00 ATOM 92 CZ1 ASNT 5 16.433 7.053 -2.972 1.00 0.00 ATOM 93 HZ1 ASNT 5 16.447 7.422 -3.986 1.00 0.00 ATOM 94 CG2 ASNT 5 17.693 5.496 1.792 1.00 0.00 ATOM 95 CD21 ASNT 5 17.845 5.656 3.161 1.00 0.00 ATOM 96 HD21 ASNT 5 17.011 6.005 3.750 1.00 0.00 ATOM 97 CD22 ASNT 5 18.774 5.046 1.048 1.00 0.00 ATOM 98 HD22 ASNT 5 18.667 4.916 -0.019 1.00 0.00 ATOM 99 CE21 ASNT 5 19.052 5.375 3.775 1.00 0.00 ATOM 100 HE21 ASNT 5 19.158 5.504 4.841 1.00 0.00 ATOM 101 CE22 ASNT 5 19.982 4.763 1.657 1.00 0.00 ATOM 102 HE22 ASNT 5 20.788 4.332 1.081 1.00 0.00 ATOM 103 CZ2 ASNT 5 20.121 4.929 3.022 1.00 0.00 ATOM 104 HZ2 ASNT 5 21.063 4.708 3.500 1.00 0.00 ATOM 105 CG3 ASNT 5 15.375 6.615 1.935 1.00 0.00 ATOM 106 CD31 ASNT 5 15.865 7.785 2.493 1.00 0.00 ATOM 107 HD31 ASNT 5 16.924 7.995 2.440 1.00 0.00 ATOM 108 CD32 ASNT 5 14.015 6.358 2.010 1.00 0.00 ATOM 109 HD32 ASNT 5 13.623 5.449 1.577 1.00 0.00 ATOM 110 CE31 ASNT 5 15.016 8.679 3.116 1.00 0.00 ATOM 111 HE31 ASNT 5 15.410 9.588 3.548 1.00 0.00 ATOM 112 CE32 ASNT 5 13.160 7.248 2.632 1.00 0.00 ATOM 113 HE32 ASNT 5 12.119 6.994 2.764 1.00 0.00 ATOM 114 CZ3 ASNT 5 13.662 8.411 3.186 1.00 0.00 ATOM 115 HZ3 ASNT 5 12.997 9.109 3.672 1.00 0.00 ATOM 116 C ASNT 5 16.446 0.544 2.058 1.00 0.00 ATOM 117 O ASNT 5 17.407 1.012 2.668 1.00 0.00 ATOM 118 N TYRT 6 15.923 -0.643 2.345 1.00 0.00 ATOM 119 HN TYRT 6 15.068 -0.901 1.940 1.00 0.00 ATOM 120 CA TYRT 6 16.590 -1.575 3.246 1.00 0.00 ATOM 121 HA TYRT 6 16.869 -1.032 4.136 1.00 0.00 ATOM 122 CB TYRT 6 15.642 -2.711 3.634 1.00 0.00 ATOM 123 HB1 TYRT 6 14.746 -2.290 4.066 1.00 0.00 ATOM 124 HB2 TYRT 6 16.126 -3.342 4.364 1.00 0.00 ATOM 125 CG TYRT 6 15.231 -3.583 2.469 1.00 0.00 ATOM 126 CD1 TYRT 6 15.928 -4.750 2.171 1.00 0.00 ATOM 127 HD1 TYRT 6 16.772 -5.029 2.784 1.00 0.00 ATOM 128 CD2 TYRT 6 14.146 -3.242 1.668 1.00 0.00 ATOM 129 HD2 TYRT 6 13.596 -2.339 1.887 1.00 0.00 ATOM 130 CE1 TYRT 6 15.555 -5.551 1.108 1.00 0.00 ATOM 131 HE1 TYRT 6 16.107 -6.453 0.890 1.00 0.00 ATOM 132 CE2 TYRT 6 13.769 -4.038 0.603 1.00 0.00 ATOM 133 HE2 TYRT 6 12.924 -3.757 -0.010 1.00 0.00 ATOM 134 CZ TYRT 6 14.478 -5.186 0.332 1.00 0.00 ATOM 135 O2 TYRT 6 14.010 -6.063 -0.641 1.00 0.00 ATOM 136 CQ TYRT 6 14.518 -5.978 -2.015 1.00 0.00 ATOM 137 C1 TYRT 6 14.208 -4.596 -2.590 1.00 0.00 ATOM 138 C2 TYRT 6 16.030 -6.199 -2.017 1.00 0.00 ATOM 139 C3 TYRT 6 13.830 -7.056 -2.840 1.00 0.00 ATOM 140 H11 TYRT 6 15.040 -3.936 -2.402 1.00 0.00 ATOM 141 H12 TYRT 6 13.321 -4.204 -2.118 1.00 0.00 ATOM 142 H13 TYRT 6 14.043 -4.672 -3.656 1.00 0.00 ATOM 143 H21 TYRT 6 16.300 -6.824 -1.179 1.00 0.00 ATOM 144 H22 TYRT 6 16.531 -5.247 -1.933 1.00 0.00 ATOM 145 H23 TYRT 6 16.330 -6.682 -2.936 1.00 0.00 ATOM 146 H31 TYRT 6 13.677 -6.693 -3.844 1.00 0.00 ATOM 147 H32 TYRT 6 12.878 -7.293 -2.392 1.00 0.00 ATOM 148 H33 TYRT 6 14.445 -7.945 -2.868 1.00 0.00 ATOM 149 C TYRT 6 17.851 -2.145 2.603 1.00 0.00 ATOM 150 O TYRT 6 18.870 -2.331 3.268 1.00 0.00 ATOM 151 N GLY 7 17.774 -2.422 1.305 1.00 0.00 ATOM 152 HN GLY 7 16.936 -2.253 0.826 1.00 0.00 ATOM 153 CA GLY 7 18.915 -2.968 0.595 1.00 0.00 ATOM 154 HA1 GLY 7 18.787 -4.036 0.496 1.00 0.00 ATOM 155 HA2 GLY 7 19.809 -2.775 1.169 1.00 0.00 ATOM 156 C GLY 7 19.081 -2.365 -0.787 1.00 0.00 ATOM 157 O GLY 7 19.433 -3.047 -1.750 1.00 0.00 ATOM 158 O2 OME 8 18.913 -1.024 -0.766 1.00 0.00 ATOM 159 C1 OME 8 19.119 -0.352 -1.998 1.00 0.00 ATOM 160 H1 OME 8 18.446 -0.743 -2.742 1.00 0.00 ATOM 161 H2 OME 8 20.135 -0.498 -2.326 1.00 0.00 ATOM 162 H3 OME 8 18.937 0.710 -1.887 1.00 0.00 END REMARK FILENAME="accept_1.pdb" REMARK =============================================================== REMARK DATE:17-Sep-2013 08:33:45 created by user: Vermonster REMARK VERSION:1.21 ATOM 1 O BOC 1 8.619 -1.203 3.485 1.00 0.00 ATOM 2 C BOC 1 9.772 -1.578 3.275 1.00 0.00 ATOM 3 O2 BOC 1 10.271 -2.804 3.544 1.00 0.00 ATOM 4 CQ BOC 1 9.482 -4.014 3.271 1.00 0.00 ATOM 5 C1 BOC 1 9.107 -4.059 1.790 1.00 0.00 ATOM 6 C2 BOC 1 10.307 -5.251 3.620 1.00 0.00 ATOM 7 C3 BOC 1 8.225 -3.964 4.129 1.00 0.00 ATOM 8 H11 BOC 1 9.855 -3.534 1.216 1.00 0.00 ATOM 9 H12 BOC 1 8.147 -3.587 1.650 1.00 0.00 ATOM 10 H13 BOC 1 9.054 -5.086 1.456 1.00 0.00 ATOM 11 H21 BOC 1 10.860 -5.066 4.528 1.00 0.00 ATOM 12 H22 BOC 1 10.994 -5.462 2.815 1.00 0.00 ATOM 13 H23 BOC 1 9.653 -6.099 3.766 1.00 0.00 ATOM 14 H31 BOC 1 7.732 -4.922 4.095 1.00 0.00 ATOM 15 H32 BOC 1 7.563 -3.203 3.747 1.00 0.00 ATOM 16 H33 BOC 1 8.488 -3.729 5.151 1.00 0.00 ATOM 17 N ASPH 2 10.710 -0.796 2.748 1.00 0.00 ATOM 18 HN ASPH 2 11.584 -1.188 2.542 1.00 0.00 ATOM 19 CA ASPH 2 10.371 0.497 2.165 1.00 0.00 ATOM 20 HA ASPH 2 9.295 0.562 2.106 1.00 0.00 ATOM 21 CB ASPH 2 10.890 1.630 3.052 1.00 0.00 ATOM 22 HB1 ASPH 2 10.711 2.575 2.559 1.00 0.00 ATOM 23 HB2 ASPH 2 11.951 1.504 3.203 1.00 0.00 ATOM 24 CG ASPH 2 10.214 1.659 4.408 1.00 0.00 ATOM 25 OD1 ASPH 2 9.074 1.159 4.514 1.00 0.00 ATOM 26 OD2 ASPH 2 10.823 2.183 5.365 1.00 0.00 ATOM 27 HD ASPH 2 8.984 0.841 5.265 1.00 0.00 ATOM 28 C ASPH 2 10.950 0.628 0.758 1.00 0.00 ATOM 29 O ASPH 2 11.936 1.333 0.547 1.00 0.00 ATOM 30 N DPRO 3 10.339 -0.053 -0.226 1.00 0.00 ATOM 31 CA DPRO 3 10.800 -0.005 -1.614 1.00 0.00 ATOM 32 HA DPRO 3 10.789 1.011 -1.995 1.00 0.00 ATOM 33 CB DPRO 3 9.773 -0.842 -2.373 1.00 0.00 ATOM 34 HB1 DPRO 3 10.265 -1.397 -3.157 1.00 0.00 ATOM 35 HB2 DPRO 3 9.023 -0.192 -2.801 1.00 0.00 ATOM 36 CG DPRO 3 9.188 -1.750 -1.348 1.00 0.00 ATOM 37 HG1 DPRO 3 9.792 -2.641 -1.259 1.00 0.00 ATOM 38 HG2 DPRO 3 8.176 -2.007 -1.619 1.00 0.00 ATOM 39 CD DPRO 3 9.204 -0.979 -0.058 1.00 0.00 ATOM 40 HD1 DPRO 3 9.370 -1.644 0.777 1.00 0.00 ATOM 41 HD2 DPRO 3 8.279 -0.436 0.069 1.00 0.00 ATOM 42 C DPRO 3 12.191 -0.621 -1.769 1.00 0.00 ATOM 43 O DPRO 3 12.320 -1.808 -2.072 1.00 0.00 ATOM 44 N THRB 4 13.207 0.236 -1.774 1.00 0.00 ATOM 45 HN THRB 4 13.025 1.194 -1.680 1.00 0.00 ATOM 46 CA THRB 4 14.587 -0.216 -1.914 1.00 0.00 ATOM 47 HA THRB 4 14.600 -1.286 -1.777 1.00 0.00 ATOM 48 CB THRB 4 15.113 0.114 -3.313 1.00 0.00 ATOM 49 HB THRB 4 16.152 -0.168 -3.377 1.00 0.00 ATOM 50 OG1 THRB 4 14.999 1.537 -3.422 1.00 0.00 ATOM 51 CG2 THRB 4 14.375 -0.604 -4.422 1.00 0.00 ATOM 52 HG21 THRB 4 14.095 -1.592 -4.087 1.00 0.00 ATOM 53 HG22 THRB 4 15.017 -0.686 -5.286 1.00 0.00 ATOM 54 HG23 THRB 4 13.488 -0.047 -4.684 1.00 0.00 ATOM 55 C THRB 4 15.480 0.427 -0.856 1.00 0.00 ATOM 56 O THRB 4 16.524 0.994 -1.177 1.00 0.00 ATOM 57 CD THRB 4 16.059 2.185 -4.128 1.00 0.00 ATOM 58 HD1 THRB 4 16.962 2.150 -3.533 1.00 0.00 ATOM 59 HD2 THRB 4 16.230 1.684 -5.066 1.00 0.00 ATOM 60 CE THRB 4 15.734 3.623 -4.423 1.00 0.00 ATOM 61 CZ1 THRB 4 16.495 4.347 -5.328 1.00 0.00 ATOM 62 HZ1 THRB 4 17.328 3.868 -5.822 1.00 0.00 ATOM 63 CZ2 THRB 4 14.670 4.250 -3.797 1.00 0.00 ATOM 64 HZ2 THRB 4 14.070 3.695 -3.091 1.00 0.00 ATOM 65 CH1 THRB 4 16.200 5.669 -5.602 1.00 0.00 ATOM 66 HH1 THRB 4 16.801 6.222 -6.309 1.00 0.00 ATOM 67 CH2 THRB 4 14.369 5.571 -4.067 1.00 0.00 ATOM 68 HH2 THRB 4 13.536 6.049 -3.572 1.00 0.00 ATOM 69 CTH THRB 4 15.135 6.281 -4.970 1.00 0.00 ATOM 70 HTH THRB 4 14.902 7.315 -5.183 1.00 0.00 ATOM 71 N ASNT 5 14.958 0.523 0.363 1.00 0.00 ATOM 72 HN ASNT 5 14.051 0.186 0.524 1.00 0.00 ATOM 73 CA ASNT 5 15.703 1.114 1.468 1.00 0.00 ATOM 74 HA ASNT 5 16.397 1.829 1.053 1.00 0.00 ATOM 75 CB ASNT 5 14.749 1.843 2.420 1.00 0.00 ATOM 76 HB1 ASNT 5 14.699 1.302 3.354 1.00 0.00 ATOM 77 HB2 ASNT 5 13.766 1.877 1.976 1.00 0.00 ATOM 78 CG ASNT 5 15.195 3.263 2.708 1.00 0.00 ATOM 79 OD1 ASNT 5 15.874 3.904 1.907 1.00 0.00 ATOM 80 ND2 ASNT 5 14.780 3.742 3.879 1.00 0.00 ATOM 81 HD1 ASNT 5 14.228 3.165 4.447 1.00 0.00 ATOM 82 CQ ASNT 5 15.047 5.098 4.445 1.00 0.00 ATOM 83 CG1 ASNT 5 14.241 6.068 3.551 1.00 0.00 ATOM 84 CD11 ASNT 5 14.815 6.629 2.420 1.00 0.00 ATOM 85 HD11 ASNT 5 15.861 6.455 2.215 1.00 0.00 ATOM 86 CD12 ASNT 5 12.895 6.300 3.799 1.00 0.00 ATOM 87 HD12 ASNT 5 12.437 5.867 4.676 1.00 0.00 ATOM 88 CE11 ASNT 5 14.064 7.403 1.556 1.00 0.00 ATOM 89 HE11 ASNT 5 14.524 7.834 0.678 1.00 0.00 ATOM 90 CE12 ASNT 5 12.141 7.074 2.938 1.00 0.00 ATOM 91 HE12 ASNT 5 11.117 7.313 3.186 1.00 0.00 ATOM 92 CZ1 ASNT 5 12.726 7.626 1.816 1.00 0.00 ATOM 93 HZ1 ASNT 5 12.138 8.231 1.141 1.00 0.00 ATOM 94 CG2 ASNT 5 16.574 5.308 4.351 1.00 0.00 ATOM 95 CD21 ASNT 5 17.104 6.589 4.334 1.00 0.00 ATOM 96 HD21 ASNT 5 16.437 7.437 4.293 1.00 0.00 ATOM 97 CD22 ASNT 5 17.441 4.227 4.403 1.00 0.00 ATOM 98 HD22 ASNT 5 17.039 3.225 4.417 1.00 0.00 ATOM 99 CE21 ASNT 5 18.471 6.788 4.367 1.00 0.00 ATOM 100 HE21 ASNT 5 18.871 7.791 4.353 1.00 0.00 ATOM 101 CE22 ASNT 5 18.810 4.420 4.436 1.00 0.00 ATOM 102 HE22 ASNT 5 19.470 3.576 4.568 1.00 0.00 ATOM 103 CZ2 ASNT 5 19.325 5.703 4.418 1.00 0.00 ATOM 104 HZ2 ASNT 5 20.393 5.856 4.444 1.00 0.00 ATOM 105 CG3 ASNT 5 14.553 5.075 5.913 1.00 0.00 ATOM 106 CD31 ASNT 5 14.702 3.935 6.687 1.00 0.00 ATOM 107 HD31 ASNT 5 15.080 3.031 6.232 1.00 0.00 ATOM 108 CD32 ASNT 5 14.069 6.229 6.509 1.00 0.00 ATOM 109 HD32 ASNT 5 13.950 7.123 5.914 1.00 0.00 ATOM 110 CE31 ASNT 5 14.372 3.946 8.029 1.00 0.00 ATOM 111 HE31 ASNT 5 14.492 3.051 8.622 1.00 0.00 ATOM 112 CE32 ASNT 5 13.737 6.245 7.850 1.00 0.00 ATOM 113 HE32 ASNT 5 13.275 7.121 8.281 1.00 0.00 ATOM 114 CZ3 ASNT 5 13.890 5.101 8.611 1.00 0.00 ATOM 115 HZ3 ASNT 5 13.631 5.112 9.660 1.00 0.00 ATOM 116 C ASNT 5 16.489 0.050 2.227 1.00 0.00 ATOM 117 O ASNT 5 17.482 0.357 2.887 1.00 0.00 ATOM 118 N TYRT 6 15.919 -1.148 2.306 1.00 0.00 ATOM 119 HN TYRT 6 15.045 -1.291 1.884 1.00 0.00 ATOM 120 CA TYRT 6 16.563 -2.257 3.001 1.00 0.00 ATOM 121 HA TYRT 6 16.721 -1.957 4.026 1.00 0.00 ATOM 122 CB TYRT 6 15.662 -3.493 2.977 1.00 0.00 ATOM 123 HB1 TYRT 6 14.726 -3.256 3.460 1.00 0.00 ATOM 124 HB2 TYRT 6 16.147 -4.293 3.516 1.00 0.00 ATOM 125 CG TYRT 6 15.355 -3.993 1.584 1.00 0.00 ATOM 126 CD1 TYRT 6 16.193 -4.906 0.952 1.00 0.00 ATOM 127 HD1 TYRT 6 17.072 -5.257 1.470 1.00 0.00 ATOM 128 CD2 TYRT 6 14.227 -3.552 0.900 1.00 0.00 ATOM 129 HD2 TYRT 6 13.567 -2.843 1.376 1.00 0.00 ATOM 130 CE1 TYRT 6 15.915 -5.366 -0.322 1.00 0.00 ATOM 131 HE1 TYRT 6 16.576 -6.075 -0.798 1.00 0.00 ATOM 132 CE2 TYRT 6 13.943 -4.007 -0.374 1.00 0.00 ATOM 133 HE2 TYRT 6 13.062 -3.654 -0.892 1.00 0.00 ATOM 134 CZ TYRT 6 14.791 -4.911 -0.974 1.00 0.00 ATOM 135 O2 TYRT 6 14.429 -5.483 -2.189 1.00 0.00 ATOM 136 CQ TYRT 6 13.476 -6.599 -2.224 1.00 0.00 ATOM 137 C1 TYRT 6 13.293 -7.068 -3.666 1.00 0.00 ATOM 138 C2 TYRT 6 14.009 -7.757 -1.381 1.00 0.00 ATOM 139 C3 TYRT 6 12.150 -6.107 -1.661 1.00 0.00 ATOM 140 H11 TYRT 6 13.087 -8.127 -3.675 1.00 0.00 ATOM 141 H12 TYRT 6 14.196 -6.872 -4.223 1.00 0.00 ATOM 142 H13 TYRT 6 12.468 -6.539 -4.123 1.00 0.00 ATOM 143 H21 TYRT 6 13.687 -7.631 -0.358 1.00 0.00 ATOM 144 H22 TYRT 6 15.087 -7.761 -1.422 1.00 0.00 ATOM 145 H23 TYRT 6 13.632 -8.695 -1.763 1.00 0.00 ATOM 146 H31 TYRT 6 11.857 -5.206 -2.177 1.00 0.00 ATOM 147 H32 TYRT 6 12.264 -5.902 -0.609 1.00 0.00 ATOM 148 H33 TYRT 6 11.389 -6.864 -1.800 1.00 0.00 ATOM 149 C TYRT 6 17.912 -2.585 2.371 1.00 0.00 ATOM 150 O TYRT 6 18.837 -3.026 3.054 1.00 0.00 ATOM 151 N GLY 7 18.019 -2.364 1.065 1.00 0.00 ATOM 152 HN GLY 7 17.249 -2.011 0.572 1.00 0.00 ATOM 153 CA GLY 7 19.260 -2.641 0.364 1.00 0.00 ATOM 154 HA1 GLY 7 19.137 -3.542 -0.220 1.00 0.00 ATOM 155 HA2 GLY 7 20.043 -2.800 1.091 1.00 0.00 ATOM 156 C GLY 7 19.669 -1.512 -0.559 1.00 0.00 ATOM 157 O GLY 7 20.758 -0.948 -0.446 1.00 0.00 ATOM 158 O2 OME 8 18.662 -1.160 -1.390 1.00 0.00 ATOM 159 C1 OME 8 18.918 -0.061 -2.248 1.00 0.00 ATOM 160 H1 OME 8 18.762 0.862 -1.713 1.00 0.00 ATOM 161 H2 OME 8 18.252 -0.096 -3.094 1.00 0.00 ATOM 162 H3 OME 8 19.939 -0.087 -2.606 1.00 0.00 END REMARK FILENAME="accept_2.pdb" REMARK =============================================================== REMARK DATE:17-Sep-2013 08:33:45 created by user: PAL REMARK VERSION:1.21 ATOM 1 O BOC 1 9.921 -3.571 0.350 1.00 0.00 ATOM 2 C BOC 1 11.047 -3.417 -0.123 1.00 0.00 ATOM 3 O2 BOC 1 11.446 -3.782 -1.363 1.00 0.00 ATOM 4 CQ BOC 1 10.557 -3.608 -2.520 1.00 0.00 ATOM 5 C1 BOC 1 11.239 -4.156 -3.773 1.00 0.00 ATOM 6 C2 BOC 1 9.249 -4.364 -2.284 1.00 0.00 ATOM 7 C3 BOC 1 10.281 -2.120 -2.685 1.00 0.00 ATOM 8 H11 BOC 1 12.299 -3.965 -3.714 1.00 0.00 ATOM 9 H12 BOC 1 10.831 -3.668 -4.644 1.00 0.00 ATOM 10 H13 BOC 1 11.070 -5.222 -3.846 1.00 0.00 ATOM 11 H21 BOC 1 8.752 -4.519 -3.228 1.00 0.00 ATOM 12 H22 BOC 1 8.615 -3.785 -1.631 1.00 0.00 ATOM 13 H23 BOC 1 9.458 -5.322 -1.826 1.00 0.00 ATOM 14 H31 BOC 1 10.326 -1.639 -1.720 1.00 0.00 ATOM 15 H32 BOC 1 9.298 -1.985 -3.111 1.00 0.00 ATOM 16 H33 BOC 1 11.020 -1.680 -3.341 1.00 0.00 ATOM 17 N ASPH 2 12.053 -2.864 0.546 1.00 0.00 ATOM 18 HN ASPH 2 12.898 -2.708 0.077 1.00 0.00 ATOM 19 CA ASPH 2 11.826 -2.186 1.818 1.00 0.00 ATOM 20 HA ASPH 2 10.841 -2.455 2.166 1.00 0.00 ATOM 21 CB ASPH 2 12.859 -2.640 2.851 1.00 0.00 ATOM 22 HB1 ASPH 2 12.585 -2.250 3.820 1.00 0.00 ATOM 23 HB2 ASPH 2 13.830 -2.256 2.574 1.00 0.00 ATOM 24 CG ASPH 2 12.952 -4.150 2.952 1.00 0.00 ATOM 25 OD1 ASPH 2 13.977 -4.649 3.461 1.00 0.00 ATOM 26 OD2 ASPH 2 11.998 -4.833 2.521 1.00 0.00 ATOM 27 HD ASPH 2 13.964 -4.533 4.272 1.00 0.00 ATOM 28 C ASPH 2 11.895 -0.671 1.647 1.00 0.00 ATOM 29 O ASPH 2 12.968 -0.076 1.738 1.00 0.00 ATOM 30 N DPRO 3 10.743 -0.023 1.395 1.00 0.00 ATOM 31 CA DPRO 3 10.690 1.427 1.213 1.00 0.00 ATOM 32 HA DPRO 3 10.921 1.948 2.138 1.00 0.00 ATOM 33 CB DPRO 3 9.237 1.700 0.831 1.00 0.00 ATOM 34 HB1 DPRO 3 9.147 1.749 -0.244 1.00 0.00 ATOM 35 HB2 DPRO 3 8.916 2.633 1.269 1.00 0.00 ATOM 36 CG DPRO 3 8.477 0.545 1.387 1.00 0.00 ATOM 37 HG1 DPRO 3 7.594 0.367 0.791 1.00 0.00 ATOM 38 HG2 DPRO 3 8.205 0.745 2.412 1.00 0.00 ATOM 39 CD DPRO 3 9.404 -0.634 1.311 1.00 0.00 ATOM 40 HD1 DPRO 3 9.277 -1.156 0.375 1.00 0.00 ATOM 41 HD2 DPRO 3 9.232 -1.302 2.144 1.00 0.00 ATOM 42 C DPRO 3 11.618 1.892 0.091 1.00 0.00 ATOM 43 O DPRO 3 11.256 1.837 -1.084 1.00 0.00 ATOM 44 N THRB 4 12.714 2.540 0.474 1.00 0.00 ATOM 45 HN THRB 4 12.873 2.687 1.429 1.00 0.00 ATOM 46 CA THRB 4 13.686 3.036 -0.493 1.00 0.00 ATOM 47 HA THRB 4 13.450 2.599 -1.452 1.00 0.00 ATOM 48 CB THRB 4 13.593 4.559 -0.606 1.00 0.00 ATOM 49 HB THRB 4 14.495 4.936 -1.063 1.00 0.00 ATOM 50 OG1 THRB 4 13.514 5.023 0.749 1.00 0.00 ATOM 51 CG2 THRB 4 12.425 5.034 -1.441 1.00 0.00 ATOM 52 HG21 THRB 4 12.707 5.042 -2.483 1.00 0.00 ATOM 53 HG22 THRB 4 12.147 6.032 -1.136 1.00 0.00 ATOM 54 HG23 THRB 4 11.587 4.368 -1.299 1.00 0.00 ATOM 55 C THRB 4 15.104 2.627 -0.103 1.00 0.00 ATOM 56 O THRB 4 16.046 3.401 -0.272 1.00 0.00 ATOM 57 CD THRB 4 14.678 5.692 1.242 1.00 0.00 ATOM 58 HD1 THRB 4 14.788 5.491 2.300 1.00 0.00 ATOM 59 HD2 THRB 4 15.551 5.336 0.721 1.00 0.00 ATOM 60 CE THRB 4 14.594 7.180 1.041 1.00 0.00 ATOM 61 CZ1 THRB 4 14.959 8.050 2.056 1.00 0.00 ATOM 62 HZ1 THRB 4 15.307 7.650 2.997 1.00 0.00 ATOM 63 CZ2 THRB 4 14.151 7.706 -0.161 1.00 0.00 ATOM 64 HZ2 THRB 4 13.864 7.036 -0.959 1.00 0.00 ATOM 65 CH1 THRB 4 14.883 9.418 1.874 1.00 0.00 ATOM 66 HH1 THRB 4 15.170 10.086 2.673 1.00 0.00 ATOM 67 CH2 THRB 4 14.072 9.073 -0.348 1.00 0.00 ATOM 68 HH2 THRB 4 13.725 9.470 -1.290 1.00 0.00 ATOM 69 CTH THRB 4 14.439 9.929 0.671 1.00 0.00 ATOM 70 HTH THRB 4 14.378 10.998 0.526 1.00 0.00 ATOM 71 N ASNT 5 15.213 1.509 0.606 1.00 0.00 ATOM 72 HN ASNT 5 14.403 1.009 0.842 1.00 0.00 ATOM 73 CA ASNT 5 16.510 1.004 1.043 1.00 0.00 ATOM 74 HA ASNT 5 17.236 1.790 0.896 1.00 0.00 ATOM 75 CB ASNT 5 16.464 0.639 2.529 1.00 0.00 ATOM 76 HB1 ASNT 5 16.696 -0.411 2.645 1.00 0.00 ATOM 77 HB2 ASNT 5 15.470 0.826 2.908 1.00 0.00 ATOM 78 CG ASNT 5 17.450 1.443 3.354 1.00 0.00 ATOM 79 OD1 ASNT 5 18.172 0.912 4.199 1.00 0.00 ATOM 80 ND2 ASNT 5 17.470 2.745 3.075 1.00 0.00 ATOM 81 HD1 ASNT 5 16.871 3.077 2.375 1.00 0.00 ATOM 82 CQ ASNT 5 18.315 3.795 3.719 1.00 0.00 ATOM 83 CG1 ASNT 5 17.702 3.994 5.125 1.00 0.00 ATOM 84 CD11 ASNT 5 16.629 4.854 5.308 1.00 0.00 ATOM 85 HD11 ASNT 5 16.283 5.454 4.480 1.00 0.00 ATOM 86 CD12 ASNT 5 18.134 3.228 6.197 1.00 0.00 ATOM 87 HD12 ASNT 5 18.966 2.554 6.067 1.00 0.00 ATOM 88 CE11 ASNT 5 16.002 4.948 6.535 1.00 0.00 ATOM 89 HE11 ASNT 5 15.167 5.622 6.666 1.00 0.00 ATOM 90 CE12 ASNT 5 17.509 3.319 7.427 1.00 0.00 ATOM 91 HE12 ASNT 5 17.803 2.661 8.233 1.00 0.00 ATOM 92 CZ1 ASNT 5 16.442 4.180 7.596 1.00 0.00 ATOM 93 HZ1 ASNT 5 15.953 4.254 8.556 1.00 0.00 ATOM 94 CG2 ASNT 5 18.204 5.047 2.819 1.00 0.00 ATOM 95 CD21 ASNT 5 18.311 6.316 3.365 1.00 0.00 ATOM 96 HD21 ASNT 5 18.379 6.428 4.438 1.00 0.00 ATOM 97 CD22 ASNT 5 18.118 4.918 1.440 1.00 0.00 ATOM 98 HD22 ASNT 5 18.035 3.934 1.005 1.00 0.00 ATOM 99 CE21 ASNT 5 18.330 7.435 2.554 1.00 0.00 ATOM 100 HE21 ASNT 5 18.414 8.418 2.991 1.00 0.00 ATOM 101 CE22 ASNT 5 18.136 6.034 0.624 1.00 0.00 ATOM 102 HE22 ASNT 5 17.969 5.927 -0.437 1.00 0.00 ATOM 103 CZ2 ASNT 5 18.243 7.293 1.183 1.00 0.00 ATOM 104 HZ2 ASNT 5 18.257 8.166 0.547 1.00 0.00 ATOM 105 CG3 ASNT 5 19.760 3.241 3.763 1.00 0.00 ATOM 106 CD31 ASNT 5 20.208 2.363 2.789 1.00 0.00 ATOM 107 HD31 ASNT 5 19.515 1.992 2.049 1.00 0.00 ATOM 108 CD32 ASNT 5 20.660 3.709 4.706 1.00 0.00 ATOM 109 HD32 ASNT 5 20.321 4.395 5.469 1.00 0.00 ATOM 110 CE31 ASNT 5 21.530 1.958 2.759 1.00 0.00 ATOM 111 HE31 ASNT 5 21.868 1.273 1.995 1.00 0.00 ATOM 112 CE32 ASNT 5 21.982 3.308 4.682 1.00 0.00 ATOM 113 HE32 ASNT 5 22.655 3.618 5.468 1.00 0.00 ATOM 114 CZ3 ASNT 5 22.417 2.431 3.706 1.00 0.00 ATOM 115 HZ3 ASNT 5 23.450 2.116 3.683 1.00 0.00 ATOM 116 C ASNT 5 16.927 -0.209 0.216 1.00 0.00 ATOM 117 O ASNT 5 18.118 -0.482 0.065 1.00 0.00 ATOM 118 N TYRT 6 15.950 -1.042 -0.127 1.00 0.00 ATOM 119 HN TYRT 6 15.032 -0.846 0.156 1.00 0.00 ATOM 120 CA TYRT 6 16.210 -2.239 -0.918 1.00 0.00 ATOM 121 HA TYRT 6 15.273 -2.760 -1.046 1.00 0.00 ATOM 122 CB TYRT 6 16.758 -1.857 -2.294 1.00 0.00 ATOM 123 HB1 TYRT 6 17.203 -2.730 -2.751 1.00 0.00 ATOM 124 HB2 TYRT 6 17.514 -1.095 -2.174 1.00 0.00 ATOM 125 CG TYRT 6 15.705 -1.322 -3.237 1.00 0.00 ATOM 126 CD1 TYRT 6 15.513 -1.891 -4.492 1.00 0.00 ATOM 127 HD1 TYRT 6 16.130 -2.726 -4.789 1.00 0.00 ATOM 128 CD2 TYRT 6 14.902 -0.247 -2.872 1.00 0.00 ATOM 129 HD2 TYRT 6 15.039 0.206 -1.901 1.00 0.00 ATOM 130 CE1 TYRT 6 14.551 -1.404 -5.355 1.00 0.00 ATOM 131 HE1 TYRT 6 14.415 -1.857 -6.327 1.00 0.00 ATOM 132 CE2 TYRT 6 13.937 0.246 -3.731 1.00 0.00 ATOM 133 HE2 TYRT 6 13.322 1.082 -3.432 1.00 0.00 ATOM 134 CZ TYRT 6 13.771 -0.338 -4.966 1.00 0.00 ATOM 135 O2 TYRT 6 12.705 0.055 -5.768 1.00 0.00 ATOM 136 CQ TYRT 6 12.891 1.107 -6.775 1.00 0.00 ATOM 137 C1 TYRT 6 13.342 2.398 -6.091 1.00 0.00 ATOM 138 C2 TYRT 6 13.952 0.670 -7.783 1.00 0.00 ATOM 139 C3 TYRT 6 11.559 1.327 -7.478 1.00 0.00 ATOM 140 H11 TYRT 6 14.053 2.161 -5.315 1.00 0.00 ATOM 141 H12 TYRT 6 12.486 2.891 -5.659 1.00 0.00 ATOM 142 H13 TYRT 6 13.807 3.053 -6.815 1.00 0.00 ATOM 143 H21 TYRT 6 14.927 0.958 -7.422 1.00 0.00 ATOM 144 H22 TYRT 6 13.761 1.147 -8.732 1.00 0.00 ATOM 145 H23 TYRT 6 13.919 -0.404 -7.908 1.00 0.00 ATOM 146 H31 TYRT 6 10.755 1.054 -6.812 1.00 0.00 ATOM 147 H32 TYRT 6 11.518 0.712 -8.364 1.00 0.00 ATOM 148 H33 TYRT 6 11.457 2.367 -7.756 1.00 0.00 ATOM 149 C TYRT 6 17.191 -3.161 -0.203 1.00 0.00 ATOM 150 O TYRT 6 17.963 -3.877 -0.840 1.00 0.00 ATOM 151 N GLY 7 17.157 -3.138 1.126 1.00 0.00 ATOM 152 HN GLY 7 16.521 -2.547 1.580 1.00 0.00 ATOM 153 CA GLY 7 18.048 -3.975 1.905 1.00 0.00 ATOM 154 HA1 GLY 7 18.987 -4.071 1.380 1.00 0.00 ATOM 155 HA2 GLY 7 17.605 -4.955 2.009 1.00 0.00 ATOM 156 C GLY 7 18.316 -3.410 3.286 1.00 0.00 ATOM 157 O GLY 7 19.436 -3.019 3.618 1.00 0.00 ATOM 158 O2 OME 8 17.229 -3.514 4.083 1.00 0.00 ATOM 159 C1 OME 8 17.397 -3.079 5.424 1.00 0.00 ATOM 160 H1 OME 8 17.852 -3.864 6.006 1.00 0.00 ATOM 161 H2 OME 8 16.437 -2.834 5.849 1.00 0.00 ATOM 162 H3 OME 8 18.029 -2.202 5.464 1.00 0.00 END REMARK FILENAME="accept_3.pdb" REMARK =============================================================== REMARK DATE:17-Sep-2013 08:33:47 created by user: PAL REMARK VERSION:1.21 ATOM 1 O BOC 1 8.153 -1.574 3.340 1.00 0.00 ATOM 2 C BOC 1 9.298 -1.971 3.124 1.00 0.00 ATOM 3 O2 BOC 1 9.736 -3.244 3.257 1.00 0.00 ATOM 4 CQ BOC 1 10.116 -3.774 4.574 1.00 0.00 ATOM 5 C1 BOC 1 10.628 -5.206 4.418 1.00 0.00 ATOM 6 C2 BOC 1 11.219 -2.906 5.179 1.00 0.00 ATOM 7 C3 BOC 1 8.883 -3.753 5.466 1.00 0.00 ATOM 8 H11 BOC 1 9.935 -5.767 3.811 1.00 0.00 ATOM 9 H12 BOC 1 10.709 -5.663 5.392 1.00 0.00 ATOM 10 H13 BOC 1 11.599 -5.198 3.942 1.00 0.00 ATOM 11 H21 BOC 1 10.775 -2.152 5.809 1.00 0.00 ATOM 12 H22 BOC 1 11.777 -2.432 4.385 1.00 0.00 ATOM 13 H23 BOC 1 11.887 -3.519 5.769 1.00 0.00 ATOM 14 H31 BOC 1 9.015 -4.458 6.271 1.00 0.00 ATOM 15 H32 BOC 1 8.017 -4.026 4.884 1.00 0.00 ATOM 16 H33 BOC 1 8.742 -2.762 5.875 1.00 0.00 ATOM 17 N ASPH 2 10.286 -1.175 2.727 1.00 0.00 ATOM 18 HN ASPH 2 11.151 -1.578 2.504 1.00 0.00 ATOM 19 CA ASPH 2 10.023 0.193 2.297 1.00 0.00 ATOM 20 HA ASPH 2 8.960 0.291 2.133 1.00 0.00 ATOM 21 CB ASPH 2 10.451 1.182 3.383 1.00 0.00 ATOM 22 HB1 ASPH 2 11.447 1.539 3.163 1.00 0.00 ATOM 23 HB2 ASPH 2 10.456 0.679 4.338 1.00 0.00 ATOM 24 CG ASPH 2 9.522 2.376 3.476 1.00 0.00 ATOM 25 OD1 ASPH 2 8.292 2.168 3.554 1.00 0.00 ATOM 26 OD2 ASPH 2 10.023 3.520 3.471 1.00 0.00 ATOM 27 HD ASPH 2 7.985 2.580 4.192 1.00 0.00 ATOM 28 C ASPH 2 10.755 0.505 0.994 1.00 0.00 ATOM 29 O ASPH 2 11.899 0.959 1.008 1.00 0.00 ATOM 30 N DPRO 3 10.102 0.263 -0.157 1.00 0.00 ATOM 31 CA DPRO 3 10.704 0.522 -1.465 1.00 0.00 ATOM 32 HA DPRO 3 10.853 1.586 -1.624 1.00 0.00 ATOM 33 CB DPRO 3 9.669 0.002 -2.458 1.00 0.00 ATOM 34 HB1 DPRO 3 9.919 -1.007 -2.750 1.00 0.00 ATOM 35 HB2 DPRO 3 9.650 0.640 -3.330 1.00 0.00 ATOM 36 CG DPRO 3 8.377 0.049 -1.719 1.00 0.00 ATOM 37 HG1 DPRO 3 7.709 -0.710 -2.098 1.00 0.00 ATOM 38 HG2 DPRO 3 7.931 1.027 -1.822 1.00 0.00 ATOM 39 CD DPRO 3 8.715 -0.223 -0.280 1.00 0.00 ATOM 40 HD1 DPRO 3 8.657 -1.281 -0.072 1.00 0.00 ATOM 41 HD2 DPRO 3 8.053 0.328 0.373 1.00 0.00 ATOM 42 C DPRO 3 12.021 -0.236 -1.640 1.00 0.00 ATOM 43 O DPRO 3 12.022 -1.457 -1.801 1.00 0.00 ATOM 44 N THRB 4 13.102 0.514 -1.825 1.00 0.00 ATOM 45 HN THRB 4 13.012 1.489 -1.839 1.00 0.00 ATOM 46 CA THRB 4 14.422 -0.082 -2.004 1.00 0.00 ATOM 47 HA THRB 4 14.356 -1.123 -1.724 1.00 0.00 ATOM 48 CB THRB 4 14.850 0.011 -3.472 1.00 0.00 ATOM 49 HB THRB 4 15.927 0.022 -3.525 1.00 0.00 ATOM 50 OG1 THRB 4 14.337 1.268 -3.925 1.00 0.00 ATOM 51 CG2 THRB 4 14.362 -1.143 -4.318 1.00 0.00 ATOM 52 HG21 THRB 4 13.545 -0.812 -4.943 1.00 0.00 ATOM 53 HG22 THRB 4 14.022 -1.943 -3.676 1.00 0.00 ATOM 54 HG23 THRB 4 15.169 -1.500 -4.941 1.00 0.00 ATOM 55 C THRB 4 15.455 0.603 -1.113 1.00 0.00 ATOM 56 O THRB 4 16.437 1.159 -1.603 1.00 0.00 ATOM 57 CD THRB 4 15.190 2.393 -3.702 1.00 0.00 ATOM 58 HD1 THRB 4 15.099 2.715 -2.673 1.00 0.00 ATOM 59 HD2 THRB 4 16.213 2.118 -3.899 1.00 0.00 ATOM 60 CE THRB 4 14.840 3.547 -4.599 1.00 0.00 ATOM 61 CZ1 THRB 4 15.834 4.345 -5.141 1.00 0.00 ATOM 62 HZ1 THRB 4 16.869 4.133 -4.914 1.00 0.00 ATOM 63 CZ2 THRB 4 13.518 3.831 -4.901 1.00 0.00 ATOM 64 HZ2 THRB 4 12.735 3.215 -4.484 1.00 0.00 ATOM 65 CH1 THRB 4 15.516 5.407 -5.967 1.00 0.00 ATOM 66 HH1 THRB 4 16.300 6.023 -6.383 1.00 0.00 ATOM 67 CH2 THRB 4 13.194 4.891 -5.726 1.00 0.00 ATOM 68 HH2 THRB 4 12.159 5.103 -5.952 1.00 0.00 ATOM 69 CTH THRB 4 14.194 5.680 -6.260 1.00 0.00 ATOM 70 HTH THRB 4 13.942 6.509 -6.905 1.00 0.00 ATOM 71 N ASNT 5 15.115 0.743 0.165 1.00 0.00 ATOM 72 HN ASNT 5 14.244 0.409 0.467 1.00 0.00 ATOM 73 CA ASNT 5 16.008 1.376 1.128 1.00 0.00 ATOM 74 HA ASNT 5 16.906 1.670 0.604 1.00 0.00 ATOM 75 CB ASNT 5 15.348 2.622 1.722 1.00 0.00 ATOM 76 HB1 ASNT 5 14.709 2.327 2.541 1.00 0.00 ATOM 77 HB2 ASNT 5 14.753 3.104 0.962 1.00 0.00 ATOM 78 CG ASNT 5 16.364 3.622 2.241 1.00 0.00 ATOM 79 OD1 ASNT 5 16.900 3.490 3.340 1.00 0.00 ATOM 80 ND2 ASNT 5 16.623 4.626 1.405 1.00 0.00 ATOM 81 HD1 ASNT 5 16.160 4.640 0.542 1.00 0.00 ATOM 82 CQ ASNT 5 17.570 5.759 1.622 1.00 0.00 ATOM 83 CG1 ASNT 5 18.976 5.117 1.581 1.00 0.00 ATOM 84 CD11 ASNT 5 19.570 4.643 2.743 1.00 0.00 ATOM 85 HD11 ASNT 5 19.083 4.807 3.692 1.00 0.00 ATOM 86 CD12 ASNT 5 19.613 4.895 0.370 1.00 0.00 ATOM 87 HD12 ASNT 5 19.160 5.259 -0.542 1.00 0.00 ATOM 88 CE11 ASNT 5 20.773 3.964 2.694 1.00 0.00 ATOM 89 HE11 ASNT 5 21.225 3.601 3.605 1.00 0.00 ATOM 90 CE12 ASNT 5 20.816 4.219 0.316 1.00 0.00 ATOM 91 HE12 ASNT 5 21.344 4.129 -0.623 1.00 0.00 ATOM 92 CZ1 ASNT 5 21.397 3.753 1.480 1.00 0.00 ATOM 93 HZ1 ASNT 5 22.337 3.224 1.441 1.00 0.00 ATOM 94 CG2 ASNT 5 17.212 6.357 3.001 1.00 0.00 ATOM 95 CD21 ASNT 5 18.154 7.082 3.714 1.00 0.00 ATOM 96 HD21 ASNT 5 19.166 7.145 3.343 1.00 0.00 ATOM 97 CD22 ASNT 5 15.916 6.284 3.489 1.00 0.00 ATOM 98 HD22 ASNT 5 15.174 5.723 2.940 1.00 0.00 ATOM 99 CE21 ASNT 5 17.811 7.718 4.892 1.00 0.00 ATOM 100 HE21 ASNT 5 18.554 8.278 5.440 1.00 0.00 ATOM 101 CE22 ASNT 5 15.567 6.918 4.666 1.00 0.00 ATOM 102 HE22 ASNT 5 14.536 6.928 4.988 1.00 0.00 ATOM 103 CZ2 ASNT 5 16.516 7.636 5.368 1.00 0.00 ATOM 104 HZ2 ASNT 5 16.246 8.132 6.288 1.00 0.00 ATOM 105 CG3 ASNT 5 17.331 6.767 0.471 1.00 0.00 ATOM 106 CD31 ASNT 5 16.052 6.988 -0.016 1.00 0.00 ATOM 107 HD31 ASNT 5 15.234 6.385 0.350 1.00 0.00 ATOM 108 CD32 ASNT 5 18.371 7.549 -0.005 1.00 0.00 ATOM 109 HD32 ASNT 5 19.372 7.385 0.368 1.00 0.00 ATOM 110 CE31 ASNT 5 15.816 7.970 -0.959 1.00 0.00 ATOM 111 HE31 ASNT 5 14.816 8.133 -1.331 1.00 0.00 ATOM 112 CE32 ASNT 5 18.142 8.531 -0.949 1.00 0.00 ATOM 113 HE32 ASNT 5 18.972 9.079 -1.371 1.00 0.00 ATOM 114 CZ3 ASNT 5 16.862 8.742 -1.428 1.00 0.00 ATOM 115 HZ3 ASNT 5 16.680 9.509 -2.165 1.00 0.00 ATOM 116 C ASNT 5 16.386 0.405 2.242 1.00 0.00 ATOM 117 O ASNT 5 16.494 0.798 3.404 1.00 0.00 ATOM 118 N TYRT 6 16.374 -0.885 1.920 1.00 0.00 ATOM 119 HN TYRT 6 16.130 -1.147 1.008 1.00 0.00 ATOM 120 CA TYRT 6 16.717 -1.917 2.890 1.00 0.00 ATOM 121 HA TYRT 6 17.164 -1.434 3.745 1.00 0.00 ATOM 122 CB TYRT 6 15.457 -2.661 3.341 1.00 0.00 ATOM 123 HB1 TYRT 6 14.872 -2.011 3.974 1.00 0.00 ATOM 124 HB2 TYRT 6 15.746 -3.536 3.903 1.00 0.00 ATOM 125 CG TYRT 6 14.577 -3.113 2.198 1.00 0.00 ATOM 126 CD1 TYRT 6 14.905 -4.238 1.447 1.00 0.00 ATOM 127 HD1 TYRT 6 15.801 -4.789 1.690 1.00 0.00 ATOM 128 CD2 TYRT 6 13.420 -2.416 1.868 1.00 0.00 ATOM 129 HD2 TYRT 6 13.152 -1.541 2.442 1.00 0.00 ATOM 130 CE1 TYRT 6 14.104 -4.654 0.401 1.00 0.00 ATOM 131 HE1 TYRT 6 14.372 -5.530 -0.171 1.00 0.00 ATOM 132 CE2 TYRT 6 12.613 -2.827 0.824 1.00 0.00 ATOM 133 HE2 TYRT 6 11.718 -2.274 0.581 1.00 0.00 ATOM 134 CZ TYRT 6 12.964 -3.944 0.098 1.00 0.00 ATOM 135 O2 TYRT 6 12.079 -4.445 -0.851 1.00 0.00 ATOM 136 CQ TYRT 6 10.901 -5.214 -0.429 1.00 0.00 ATOM 137 C1 TYRT 6 10.043 -4.365 0.509 1.00 0.00 ATOM 138 C2 TYRT 6 10.077 -5.599 -1.658 1.00 0.00 ATOM 139 C3 TYRT 6 11.384 -6.465 0.290 1.00 0.00 ATOM 140 H11 TYRT 6 10.016 -3.349 0.145 1.00 0.00 ATOM 141 H12 TYRT 6 10.472 -4.384 1.498 1.00 0.00 ATOM 142 H13 TYRT 6 9.038 -4.760 0.545 1.00 0.00 ATOM 143 H21 TYRT 6 9.621 -6.563 -1.493 1.00 0.00 ATOM 144 H22 TYRT 6 10.725 -5.648 -2.519 1.00 0.00 ATOM 145 H23 TYRT 6 9.306 -4.861 -1.828 1.00 0.00 ATOM 146 H31 TYRT 6 12.216 -6.209 0.929 1.00 0.00 ATOM 147 H32 TYRT 6 11.698 -7.196 -0.437 1.00 0.00 ATOM 148 H33 TYRT 6 10.584 -6.876 0.890 1.00 0.00 ATOM 149 C TYRT 6 17.720 -2.904 2.301 1.00 0.00 ATOM 150 O TYRT 6 17.722 -4.085 2.648 1.00 0.00 ATOM 151 N GLY 7 18.572 -2.411 1.408 1.00 0.00 ATOM 152 HN GLY 7 18.523 -1.461 1.170 1.00 0.00 ATOM 153 CA GLY 7 19.569 -3.261 0.785 1.00 0.00 ATOM 154 HA1 GLY 7 19.086 -4.158 0.425 1.00 0.00 ATOM 155 HA2 GLY 7 20.306 -3.534 1.526 1.00 0.00 ATOM 156 C GLY 7 20.269 -2.581 -0.375 1.00 0.00 ATOM 157 O GLY 7 21.333 -3.006 -0.826 1.00 0.00 ATOM 158 O2 OME 8 19.641 -1.438 -0.730 1.00 0.00 ATOM 159 C1 OME 8 20.258 -0.684 -1.763 1.00 0.00 ATOM 160 H1 OME 8 19.780 0.278 -1.846 1.00 0.00 ATOM 161 H2 OME 8 20.165 -1.208 -2.700 1.00 0.00 ATOM 162 H3 OME 8 21.309 -0.535 -1.550 1.00 0.00 END REMARK FILENAME="accept_4.pdb" REMARK =============================================================== REMARK DATE:17-Sep-2013 08:33:49 created by user: PAL REMARK VERSION:1.21 ATOM 1 O BOC 1 12.750 -2.461 0.648 1.00 0.00 ATOM 2 C BOC 1 11.724 -3.141 0.619 1.00 0.00 ATOM 3 O2 BOC 1 11.554 -4.295 -0.065 1.00 0.00 ATOM 4 CQ BOC 1 12.596 -4.791 -0.974 1.00 0.00 ATOM 5 C1 BOC 1 13.904 -4.977 -0.206 1.00 0.00 ATOM 6 C2 BOC 1 12.161 -6.132 -1.565 1.00 0.00 ATOM 7 C3 BOC 1 12.782 -3.766 -2.085 1.00 0.00 ATOM 8 H11 BOC 1 13.682 -5.176 0.832 1.00 0.00 ATOM 9 H12 BOC 1 14.495 -4.079 -0.283 1.00 0.00 ATOM 10 H13 BOC 1 14.458 -5.809 -0.620 1.00 0.00 ATOM 11 H21 BOC 1 12.691 -6.302 -2.490 1.00 0.00 ATOM 12 H22 BOC 1 11.100 -6.110 -1.754 1.00 0.00 ATOM 13 H23 BOC 1 12.387 -6.929 -0.870 1.00 0.00 ATOM 14 H31 BOC 1 11.944 -3.817 -2.761 1.00 0.00 ATOM 15 H32 BOC 1 13.692 -3.983 -2.622 1.00 0.00 ATOM 16 H33 BOC 1 12.843 -2.773 -1.661 1.00 0.00 ATOM 17 N ASPH 2 10.612 -2.814 1.268 1.00 0.00 ATOM 18 HN ASPH 2 9.861 -3.444 1.257 1.00 0.00 ATOM 19 CA ASPH 2 10.605 -1.739 2.254 1.00 0.00 ATOM 20 HA ASPH 2 9.601 -1.652 2.641 1.00 0.00 ATOM 21 CB ASPH 2 11.555 -2.068 3.407 1.00 0.00 ATOM 22 HB1 ASPH 2 11.782 -1.162 3.949 1.00 0.00 ATOM 23 HB2 ASPH 2 12.469 -2.480 3.005 1.00 0.00 ATOM 24 CG ASPH 2 10.963 -3.073 4.376 1.00 0.00 ATOM 25 OD1 ASPH 2 9.736 -3.026 4.603 1.00 0.00 ATOM 26 OD2 ASPH 2 11.726 -3.908 4.906 1.00 0.00 ATOM 27 HD ASPH 2 9.611 -2.936 5.409 1.00 0.00 ATOM 28 C ASPH 2 11.002 -0.410 1.613 1.00 0.00 ATOM 29 O ASPH 2 12.094 0.104 1.854 1.00 0.00 ATOM 30 N DPRO 3 10.114 0.165 0.784 1.00 0.00 ATOM 31 CA DPRO 3 10.379 1.437 0.112 1.00 0.00 ATOM 32 HA DPRO 3 10.377 2.261 0.818 1.00 0.00 ATOM 33 CB DPRO 3 9.208 1.595 -0.853 1.00 0.00 ATOM 34 HB1 DPRO 3 9.486 1.221 -1.827 1.00 0.00 ATOM 35 HB2 DPRO 3 8.936 2.639 -0.925 1.00 0.00 ATOM 36 CG DPRO 3 8.112 0.785 -0.252 1.00 0.00 ATOM 37 HG1 DPRO 3 7.454 0.424 -1.030 1.00 0.00 ATOM 38 HG2 DPRO 3 7.561 1.382 0.460 1.00 0.00 ATOM 39 CD DPRO 3 8.782 -0.369 0.441 1.00 0.00 ATOM 40 HD1 DPRO 3 8.866 -1.213 -0.227 1.00 0.00 ATOM 41 HD2 DPRO 3 8.235 -0.643 1.331 1.00 0.00 ATOM 42 C DPRO 3 11.695 1.402 -0.667 1.00 0.00 ATOM 43 O DPRO 3 11.794 0.735 -1.698 1.00 0.00 ATOM 44 N THRB 4 12.617 2.282 -0.290 1.00 0.00 ATOM 45 HN THRB 4 12.418 2.894 0.448 1.00 0.00 ATOM 46 CA THRB 4 13.917 2.356 -0.947 1.00 0.00 ATOM 47 HA THRB 4 13.945 1.596 -1.712 1.00 0.00 ATOM 48 CB THRB 4 14.103 3.728 -1.600 1.00 0.00 ATOM 49 HB THRB 4 15.146 3.998 -1.566 1.00 0.00 ATOM 50 OG1 THRB 4 13.351 4.629 -0.782 1.00 0.00 ATOM 51 CG2 THRB 4 13.667 3.773 -3.048 1.00 0.00 ATOM 52 HG21 THRB 4 13.351 4.774 -3.298 1.00 0.00 ATOM 53 HG22 THRB 4 12.846 3.088 -3.199 1.00 0.00 ATOM 54 HG23 THRB 4 14.495 3.488 -3.682 1.00 0.00 ATOM 55 C THRB 4 15.044 2.092 0.048 1.00 0.00 ATOM 56 O THRB 4 15.916 2.939 0.249 1.00 0.00 ATOM 57 CD THRB 4 14.046 5.150 0.354 1.00 0.00 ATOM 58 HD1 THRB 4 14.213 4.356 1.068 1.00 0.00 ATOM 59 HD2 THRB 4 14.994 5.556 0.044 1.00 0.00 ATOM 60 CE THRB 4 13.270 6.248 1.026 1.00 0.00 ATOM 61 CZ1 THRB 4 12.121 6.759 0.446 1.00 0.00 ATOM 62 HZ1 THRB 4 11.783 6.360 -0.499 1.00 0.00 ATOM 63 CZ2 THRB 4 13.693 6.768 2.240 1.00 0.00 ATOM 64 HZ2 THRB 4 14.587 6.378 2.701 1.00 0.00 ATOM 65 CH1 THRB 4 11.405 7.768 1.063 1.00 0.00 ATOM 66 HH1 THRB 4 10.512 8.158 0.599 1.00 0.00 ATOM 67 CH2 THRB 4 12.981 7.778 2.862 1.00 0.00 ATOM 68 HH2 THRB 4 13.320 8.174 3.806 1.00 0.00 ATOM 69 CTH THRB 4 11.837 8.277 2.272 1.00 0.00 ATOM 70 HTH THRB 4 11.280 9.066 2.755 1.00 0.00 ATOM 71 N ASNT 5 14.897 1.019 0.817 1.00 0.00 ATOM 72 HN ASNT 5 14.097 0.462 0.714 1.00 0.00 ATOM 73 CA ASNT 5 15.898 0.646 1.811 1.00 0.00 ATOM 74 HA ASNT 5 16.189 1.542 2.338 1.00 0.00 ATOM 75 CB ASNT 5 15.306 -0.348 2.813 1.00 0.00 ATOM 76 HB1 ASNT 5 15.988 -1.177 2.939 1.00 0.00 ATOM 77 HB2 ASNT 5 14.365 -0.717 2.431 1.00 0.00 ATOM 78 CG ASNT 5 15.058 0.278 4.172 1.00 0.00 ATOM 79 OD1 ASNT 5 14.163 1.106 4.350 1.00 0.00 ATOM 80 ND2 ASNT 5 15.872 -0.151 5.133 1.00 0.00 ATOM 81 HD1 ASNT 5 16.544 -0.825 4.903 1.00 0.00 ATOM 82 CQ ASNT 5 15.886 0.279 6.562 1.00 0.00 ATOM 83 CG1 ASNT 5 14.435 0.131 7.069 1.00 0.00 ATOM 84 CD11 ASNT 5 13.585 -0.814 6.514 1.00 0.00 ATOM 85 HD11 ASNT 5 13.914 -1.387 5.659 1.00 0.00 ATOM 86 CD12 ASNT 5 14.000 0.858 8.166 1.00 0.00 ATOM 87 HD12 ASNT 5 14.655 1.595 8.606 1.00 0.00 ATOM 88 CE11 ASNT 5 12.326 -1.028 7.044 1.00 0.00 ATOM 89 HE11 ASNT 5 11.674 -1.767 6.602 1.00 0.00 ATOM 90 CE12 ASNT 5 12.742 0.648 8.699 1.00 0.00 ATOM 91 HE12 ASNT 5 12.450 1.156 9.606 1.00 0.00 ATOM 92 CZ1 ASNT 5 11.904 -0.296 8.136 1.00 0.00 ATOM 93 HZ1 ASNT 5 10.921 -0.462 8.552 1.00 0.00 ATOM 94 CG2 ASNT 5 16.376 1.745 6.532 1.00 0.00 ATOM 95 CD21 ASNT 5 17.732 2.033 6.486 1.00 0.00 ATOM 96 HD21 ASNT 5 18.447 1.227 6.565 1.00 0.00 ATOM 97 CD22 ASNT 5 15.469 2.790 6.428 1.00 0.00 ATOM 98 HD22 ASNT 5 14.411 2.579 6.460 1.00 0.00 ATOM 99 CE21 ASNT 5 18.173 3.334 6.341 1.00 0.00 ATOM 100 HE21 ASNT 5 19.232 3.545 6.308 1.00 0.00 ATOM 101 CE22 ASNT 5 15.906 4.093 6.284 1.00 0.00 ATOM 102 HE22 ASNT 5 15.193 4.905 6.289 1.00 0.00 ATOM 103 CZ2 ASNT 5 17.260 4.365 6.241 1.00 0.00 ATOM 104 HZ2 ASNT 5 17.603 5.383 6.128 1.00 0.00 ATOM 105 CG3 ASNT 5 16.860 -0.670 7.304 1.00 0.00 ATOM 106 CD31 ASNT 5 17.589 -0.218 8.394 1.00 0.00 ATOM 107 HD31 ASNT 5 17.544 0.827 8.665 1.00 0.00 ATOM 108 CD32 ASNT 5 16.926 -2.013 6.967 1.00 0.00 ATOM 109 HD32 ASNT 5 16.362 -2.376 6.121 1.00 0.00 ATOM 110 CE31 ASNT 5 18.368 -1.088 9.132 1.00 0.00 ATOM 111 HE31 ASNT 5 18.931 -0.724 9.978 1.00 0.00 ATOM 112 CE32 ASNT 5 17.705 -2.888 7.702 1.00 0.00 ATOM 113 HE32 ASNT 5 17.817 -3.912 7.378 1.00 0.00 ATOM 114 CZ3 ASNT 5 18.427 -2.424 8.785 1.00 0.00 ATOM 115 HZ3 ASNT 5 19.036 -3.106 9.361 1.00 0.00 ATOM 116 C ASNT 5 17.132 0.045 1.144 1.00 0.00 ATOM 117 O ASNT 5 18.205 -0.007 1.746 1.00 0.00 ATOM 118 N TYRT 6 16.921 -0.596 -0.001 1.00 0.00 ATOM 119 HN TYRT 6 16.009 -0.652 -0.357 1.00 0.00 ATOM 120 CA TYRT 6 18.013 -1.217 -0.743 1.00 0.00 ATOM 121 HA TYRT 6 17.599 -1.646 -1.643 1.00 0.00 ATOM 122 CB TYRT 6 19.059 -0.168 -1.128 1.00 0.00 ATOM 123 HB1 TYRT 6 19.933 -0.669 -1.518 1.00 0.00 ATOM 124 HB2 TYRT 6 19.335 0.393 -0.248 1.00 0.00 ATOM 125 CG TYRT 6 18.579 0.814 -2.173 1.00 0.00 ATOM 126 CD1 TYRT 6 17.957 2.002 -1.804 1.00 0.00 ATOM 127 HD1 TYRT 6 17.819 2.219 -0.755 1.00 0.00 ATOM 128 CD2 TYRT 6 18.747 0.552 -3.528 1.00 0.00 ATOM 129 HD2 TYRT 6 19.227 -0.368 -3.831 1.00 0.00 ATOM 130 CE1 TYRT 6 17.517 2.902 -2.755 1.00 0.00 ATOM 131 HE1 TYRT 6 17.037 3.820 -2.453 1.00 0.00 ATOM 132 CE2 TYRT 6 18.309 1.446 -4.487 1.00 0.00 ATOM 133 HE2 TYRT 6 18.447 1.228 -5.535 1.00 0.00 ATOM 134 CZ TYRT 6 17.697 2.614 -4.091 1.00 0.00 ATOM 135 O2 TYRT 6 17.394 3.582 -5.042 1.00 0.00 ATOM 136 CQ TYRT 6 18.415 4.554 -5.455 1.00 0.00 ATOM 137 C1 TYRT 6 18.869 5.363 -4.241 1.00 0.00 ATOM 138 C2 TYRT 6 19.612 3.817 -6.051 1.00 0.00 ATOM 139 C3 TYRT 6 17.794 5.474 -6.496 1.00 0.00 ATOM 140 H11 TYRT 6 19.722 4.882 -3.791 1.00 0.00 ATOM 141 H12 TYRT 6 18.064 5.416 -3.525 1.00 0.00 ATOM 142 H13 TYRT 6 19.142 6.364 -4.549 1.00 0.00 ATOM 143 H21 TYRT 6 19.268 2.930 -6.561 1.00 0.00 ATOM 144 H22 TYRT 6 20.290 3.537 -5.258 1.00 0.00 ATOM 145 H23 TYRT 6 20.126 4.459 -6.753 1.00 0.00 ATOM 146 H31 TYRT 6 18.007 5.091 -7.482 1.00 0.00 ATOM 147 H32 TYRT 6 18.214 6.462 -6.394 1.00 0.00 ATOM 148 H33 TYRT 6 16.724 5.522 -6.353 1.00 0.00 ATOM 149 C TYRT 6 18.665 -2.326 0.076 1.00 0.00 ATOM 150 O TYRT 6 19.855 -2.602 -0.072 1.00 0.00 ATOM 151 N GLY 7 17.877 -2.959 0.939 1.00 0.00 ATOM 152 HN GLY 7 16.936 -2.696 1.014 1.00 0.00 ATOM 153 CA GLY 7 18.397 -4.031 1.769 1.00 0.00 ATOM 154 HA1 GLY 7 19.278 -3.678 2.285 1.00 0.00 ATOM 155 HA2 GLY 7 18.672 -4.861 1.134 1.00 0.00 ATOM 156 C GLY 7 17.389 -4.510 2.795 1.00 0.00 ATOM 157 O GLY 7 16.299 -3.956 2.937 1.00 0.00 ATOM 158 O2 OME 8 17.896 -5.501 3.561 1.00 0.00 ATOM 159 C1 OME 8 17.057 -5.972 4.603 1.00 0.00 ATOM 160 H1 OME 8 17.151 -5.332 5.465 1.00 0.00 ATOM 161 H2 OME 8 17.342 -6.976 4.876 1.00 0.00 ATOM 162 H3 OME 8 16.021 -5.979 4.285 1.00 0.00 END REMARK FILENAME="accept_5.pdb" REMARK =============================================================== REMARK DATE:17-Sep-2013 08:33:49 created by user: PAL REMARK VERSION:1.21 ATOM 1 O BOC 1 10.301 -4.128 1.588 1.00 0.00 ATOM 2 C BOC 1 11.165 -3.750 0.798 1.00 0.00 ATOM 3 O2 BOC 1 11.455 -4.316 -0.395 1.00 0.00 ATOM 4 CQ BOC 1 10.682 -5.463 -0.891 1.00 0.00 ATOM 5 C1 BOC 1 9.203 -5.085 -0.983 1.00 0.00 ATOM 6 C2 BOC 1 11.188 -5.859 -2.277 1.00 0.00 ATOM 7 C3 BOC 1 10.869 -6.617 0.084 1.00 0.00 ATOM 8 H11 BOC 1 8.630 -5.954 -1.265 1.00 0.00 ATOM 9 H12 BOC 1 9.078 -4.312 -1.725 1.00 0.00 ATOM 10 H13 BOC 1 8.857 -4.722 -0.024 1.00 0.00 ATOM 11 H21 BOC 1 10.819 -5.156 -3.006 1.00 0.00 ATOM 12 H22 BOC 1 10.834 -6.850 -2.516 1.00 0.00 ATOM 13 H23 BOC 1 12.270 -5.852 -2.287 1.00 0.00 ATOM 14 H31 BOC 1 10.948 -6.227 1.087 1.00 0.00 ATOM 15 H32 BOC 1 11.770 -7.154 -0.167 1.00 0.00 ATOM 16 H33 BOC 1 10.022 -7.287 0.026 1.00 0.00 ATOM 17 N ASPH 2 11.959 -2.707 1.026 1.00 0.00 ATOM 18 HN ASPH 2 12.572 -2.422 0.317 1.00 0.00 ATOM 19 CA ASPH 2 11.701 -1.793 2.132 1.00 0.00 ATOM 20 HA ASPH 2 10.697 -1.978 2.488 1.00 0.00 ATOM 21 CB ASPH 2 12.687 -2.050 3.273 1.00 0.00 ATOM 22 HB1 ASPH 2 12.548 -1.298 4.037 1.00 0.00 ATOM 23 HB2 ASPH 2 13.695 -1.987 2.891 1.00 0.00 ATOM 24 CG ASPH 2 12.500 -3.416 3.904 1.00 0.00 ATOM 25 OD1 ASPH 2 11.375 -3.955 3.829 1.00 0.00 ATOM 26 OD2 ASPH 2 13.477 -3.947 4.472 1.00 0.00 ATOM 27 HD ASPH 2 11.466 -4.765 3.743 1.00 0.00 ATOM 28 C ASPH 2 11.801 -0.340 1.675 1.00 0.00 ATOM 29 O ASPH 2 12.862 0.276 1.770 1.00 0.00 ATOM 30 N DPRO 3 10.692 0.227 1.172 1.00 0.00 ATOM 31 CA DPRO 3 10.666 1.612 0.702 1.00 0.00 ATOM 32 HA DPRO 3 10.906 2.302 1.505 1.00 0.00 ATOM 33 CB DPRO 3 9.218 1.828 0.267 1.00 0.00 ATOM 34 HB1 DPRO 3 9.193 2.458 -0.610 1.00 0.00 ATOM 35 HB2 DPRO 3 8.665 2.295 1.069 1.00 0.00 ATOM 36 CG DPRO 3 8.703 0.463 -0.030 1.00 0.00 ATOM 37 HG1 DPRO 3 8.931 0.197 -1.051 1.00 0.00 ATOM 38 HG2 DPRO 3 7.636 0.428 0.139 1.00 0.00 ATOM 39 CD DPRO 3 9.411 -0.461 0.920 1.00 0.00 ATOM 40 HD1 DPRO 3 9.576 -1.424 0.458 1.00 0.00 ATOM 41 HD2 DPRO 3 8.846 -0.571 1.834 1.00 0.00 ATOM 42 C DPRO 3 11.604 1.823 -0.486 1.00 0.00 ATOM 43 O DPRO 3 11.304 1.402 -1.603 1.00 0.00 ATOM 44 N THRB 4 12.622 2.654 -0.282 1.00 0.00 ATOM 45 HN THRB 4 12.721 3.082 0.594 1.00 0.00 ATOM 46 CA THRB 4 13.594 2.944 -1.330 1.00 0.00 ATOM 47 HA THRB 4 13.347 2.336 -2.187 1.00 0.00 ATOM 48 CB THRB 4 13.518 4.421 -1.729 1.00 0.00 ATOM 49 HB THRB 4 14.491 4.748 -2.058 1.00 0.00 ATOM 50 OG1 THRB 4 13.168 5.109 -0.523 1.00 0.00 ATOM 51 CG2 THRB 4 12.540 4.695 -2.849 1.00 0.00 ATOM 52 HG21 THRB 4 12.777 4.068 -3.696 1.00 0.00 ATOM 53 HG22 THRB 4 12.608 5.733 -3.139 1.00 0.00 ATOM 54 HG23 THRB 4 11.536 4.481 -2.512 1.00 0.00 ATOM 55 C THRB 4 15.008 2.597 -0.871 1.00 0.00 ATOM 56 O THRB 4 15.952 3.343 -1.132 1.00 0.00 ATOM 57 CD THRB 4 14.267 5.509 0.301 1.00 0.00 ATOM 58 HD1 THRB 4 14.327 4.859 1.162 1.00 0.00 ATOM 59 HD2 THRB 4 15.186 5.444 -0.259 1.00 0.00 ATOM 60 CE THRB 4 14.117 6.927 0.779 1.00 0.00 ATOM 61 CZ1 THRB 4 13.951 7.203 2.127 1.00 0.00 ATOM 62 HZ1 THRB 4 13.929 6.389 2.836 1.00 0.00 ATOM 63 CZ2 THRB 4 14.144 7.982 -0.119 1.00 0.00 ATOM 64 HZ2 THRB 4 14.274 7.778 -1.171 1.00 0.00 ATOM 65 CH1 THRB 4 13.813 8.504 2.570 1.00 0.00 ATOM 66 HH1 THRB 4 13.683 8.706 3.623 1.00 0.00 ATOM 67 CH2 THRB 4 14.006 9.286 0.318 1.00 0.00 ATOM 68 HH2 THRB 4 14.029 10.099 -0.392 1.00 0.00 ATOM 69 CTH THRB 4 13.841 9.547 1.665 1.00 0.00 ATOM 70 HTH THRB 4 13.734 10.565 2.008 1.00 0.00 ATOM 71 N ASNT 5 15.108 1.586 -0.015 1.00 0.00 ATOM 72 HN ASNT 5 14.295 1.122 0.275 1.00 0.00 ATOM 73 CA ASNT 5 16.399 1.147 0.502 1.00 0.00 ATOM 74 HA ASNT 5 17.170 1.625 -0.083 1.00 0.00 ATOM 75 CB ASNT 5 16.555 1.563 1.966 1.00 0.00 ATOM 76 HB1 ASNT 5 16.463 0.691 2.597 1.00 0.00 ATOM 77 HB2 ASNT 5 15.777 2.268 2.218 1.00 0.00 ATOM 78 CG ASNT 5 17.897 2.215 2.242 1.00 0.00 ATOM 79 OD1 ASNT 5 18.480 2.882 1.388 1.00 0.00 ATOM 80 ND2 ASNT 5 18.365 2.012 3.471 1.00 0.00 ATOM 81 HD1 ASNT 5 17.825 1.480 4.092 1.00 0.00 ATOM 82 CQ ASNT 5 19.647 2.523 4.043 1.00 0.00 ATOM 83 CG1 ASNT 5 19.838 1.792 5.392 1.00 0.00 ATOM 84 CD11 ASNT 5 19.468 0.463 5.533 1.00 0.00 ATOM 85 HD11 ASNT 5 18.958 -0.034 4.721 1.00 0.00 ATOM 86 CD12 ASNT 5 20.493 2.417 6.443 1.00 0.00 ATOM 87 HD12 ASNT 5 20.785 3.452 6.344 1.00 0.00 ATOM 88 CE11 ASNT 5 19.746 -0.228 6.698 1.00 0.00 ATOM 89 HE11 ASNT 5 19.452 -1.262 6.794 1.00 0.00 ATOM 90 CE12 ASNT 5 20.771 1.731 7.610 1.00 0.00 ATOM 91 HE12 ASNT 5 21.361 2.201 8.384 1.00 0.00 ATOM 92 CZ1 ASNT 5 20.397 0.407 7.737 1.00 0.00 ATOM 93 HZ1 ASNT 5 20.613 -0.131 8.648 1.00 0.00 ATOM 94 CG2 ASNT 5 19.436 4.047 4.197 1.00 0.00 ATOM 95 CD21 ASNT 5 19.776 4.913 3.168 1.00 0.00 ATOM 96 HD21 ASNT 5 20.274 4.527 2.291 1.00 0.00 ATOM 97 CD22 ASNT 5 18.795 4.558 5.315 1.00 0.00 ATOM 98 HD22 ASNT 5 18.525 3.893 6.121 1.00 0.00 ATOM 99 CE21 ASNT 5 19.482 6.261 3.254 1.00 0.00 ATOM 100 HE21 ASNT 5 19.751 6.925 2.447 1.00 0.00 ATOM 101 CE22 ASNT 5 18.499 5.905 5.406 1.00 0.00 ATOM 102 HE22 ASNT 5 17.928 6.276 6.243 1.00 0.00 ATOM 103 CZ2 ASNT 5 18.844 6.757 4.374 1.00 0.00 ATOM 104 HZ2 ASNT 5 18.614 7.810 4.443 1.00 0.00 ATOM 105 CG3 ASNT 5 20.761 2.167 3.030 1.00 0.00 ATOM 106 CD31 ASNT 5 21.951 2.877 3.022 1.00 0.00 ATOM 107 HD31 ASNT 5 22.058 3.739 3.665 1.00 0.00 ATOM 108 CD32 ASNT 5 20.636 1.063 2.201 1.00 0.00 ATOM 109 HD32 ASNT 5 19.712 0.502 2.200 1.00 0.00 ATOM 110 CE31 ASNT 5 22.995 2.495 2.202 1.00 0.00 ATOM 111 HE31 ASNT 5 23.917 3.057 2.204 1.00 0.00 ATOM 112 CE32 ASNT 5 21.677 0.676 1.379 1.00 0.00 ATOM 113 HE32 ASNT 5 21.536 -0.129 0.672 1.00 0.00 ATOM 114 CZ3 ASNT 5 22.858 1.394 1.380 1.00 0.00 ATOM 115 HZ3 ASNT 5 23.674 1.093 0.738 1.00 0.00 ATOM 116 C ASNT 5 16.552 -0.366 0.369 1.00 0.00 ATOM 117 O ASNT 5 17.649 -0.863 0.116 1.00 0.00 ATOM 118 N TYRT 6 15.504 -1.091 0.752 1.00 0.00 ATOM 119 HN TYRT 6 14.706 -0.634 1.092 1.00 0.00 ATOM 120 CA TYRT 6 15.508 -2.549 0.680 1.00 0.00 ATOM 121 HA TYRT 6 14.516 -2.893 0.935 1.00 0.00 ATOM 122 CB TYRT 6 15.842 -3.014 -0.740 1.00 0.00 ATOM 123 HB1 TYRT 6 15.987 -4.086 -0.735 1.00 0.00 ATOM 124 HB2 TYRT 6 16.752 -2.534 -1.065 1.00 0.00 ATOM 125 CG TYRT 6 14.764 -2.696 -1.752 1.00 0.00 ATOM 126 CD1 TYRT 6 14.115 -3.711 -2.448 1.00 0.00 ATOM 127 HD1 TYRT 6 14.391 -4.738 -2.258 1.00 0.00 ATOM 128 CD2 TYRT 6 14.395 -1.380 -2.011 1.00 0.00 ATOM 129 HD2 TYRT 6 14.890 -0.581 -1.479 1.00 0.00 ATOM 130 CE1 TYRT 6 13.130 -3.424 -3.373 1.00 0.00 ATOM 131 HE1 TYRT 6 12.636 -4.223 -3.905 1.00 0.00 ATOM 132 CE2 TYRT 6 13.410 -1.085 -2.935 1.00 0.00 ATOM 133 HE2 TYRT 6 13.135 -0.058 -3.125 1.00 0.00 ATOM 134 CZ TYRT 6 12.786 -2.111 -3.609 1.00 0.00 ATOM 135 O2 TYRT 6 11.696 -1.828 -4.423 1.00 0.00 ATOM 136 CQ TYRT 6 11.907 -1.400 -5.812 1.00 0.00 ATOM 137 C1 TYRT 6 12.728 -0.112 -5.832 1.00 0.00 ATOM 138 C2 TYRT 6 12.657 -2.492 -6.575 1.00 0.00 ATOM 139 C3 TYRT 6 10.543 -1.162 -6.445 1.00 0.00 ATOM 140 H11 TYRT 6 13.645 -0.264 -5.284 1.00 0.00 ATOM 141 H12 TYRT 6 12.159 0.681 -5.373 1.00 0.00 ATOM 142 H13 TYRT 6 12.961 0.159 -6.853 1.00 0.00 ATOM 143 H21 TYRT 6 12.322 -2.505 -7.601 1.00 0.00 ATOM 144 H22 TYRT 6 12.458 -3.447 -6.117 1.00 0.00 ATOM 145 H23 TYRT 6 13.720 -2.294 -6.547 1.00 0.00 ATOM 146 H31 TYRT 6 10.605 -1.346 -7.505 1.00 0.00 ATOM 147 H32 TYRT 6 10.243 -0.140 -6.271 1.00 0.00 ATOM 148 H33 TYRT 6 9.814 -1.830 -6.006 1.00 0.00 ATOM 149 C TYRT 6 16.502 -3.145 1.674 1.00 0.00 ATOM 150 O TYRT 6 16.118 -3.603 2.749 1.00 0.00 ATOM 151 N GLY 7 17.780 -3.134 1.309 1.00 0.00 ATOM 152 HN GLY 7 18.029 -2.755 0.440 1.00 0.00 ATOM 153 CA GLY 7 18.805 -3.675 2.181 1.00 0.00 ATOM 154 HA1 GLY 7 18.354 -4.403 2.839 1.00 0.00 ATOM 155 HA2 GLY 7 19.215 -2.874 2.777 1.00 0.00 ATOM 156 C GLY 7 19.929 -4.340 1.412 1.00 0.00 ATOM 157 O GLY 7 21.102 -3.987 1.547 1.00 0.00 ATOM 158 O2 OME 8 19.455 -5.238 0.520 1.00 0.00 ATOM 159 C1 OME 8 20.424 -5.866 -0.305 1.00 0.00 ATOM 160 H1 OME 8 21.252 -6.202 0.298 1.00 0.00 ATOM 161 H2 OME 8 20.784 -5.166 -1.041 1.00 0.00 ATOM 162 H3 OME 8 19.996 -6.719 -0.816 1.00 0.00 END REMARK FILENAME="accept_6.pdb" REMARK =============================================================== REMARK DATE:17-Sep-2013 08:33:51 created by user: PAL REMARK VERSION:1.21 ATOM 1 O BOC 1 10.313 -3.778 1.703 1.00 0.00 ATOM 2 C BOC 1 11.368 -3.146 1.666 1.00 0.00 ATOM 3 O2 BOC 1 12.608 -3.674 1.552 1.00 0.00 ATOM 4 CQ BOC 1 12.802 -5.129 1.497 1.00 0.00 ATOM 5 C1 BOC 1 14.296 -5.442 1.429 1.00 0.00 ATOM 6 C2 BOC 1 12.208 -5.776 2.749 1.00 0.00 ATOM 7 C3 BOC 1 12.101 -5.655 0.252 1.00 0.00 ATOM 8 H11 BOC 1 14.482 -6.401 1.885 1.00 0.00 ATOM 9 H12 BOC 1 14.845 -4.677 1.958 1.00 0.00 ATOM 10 H13 BOC 1 14.619 -5.466 0.397 1.00 0.00 ATOM 11 H21 BOC 1 12.254 -5.074 3.567 1.00 0.00 ATOM 12 H22 BOC 1 12.775 -6.659 2.998 1.00 0.00 ATOM 13 H23 BOC 1 11.178 -6.049 2.566 1.00 0.00 ATOM 14 H31 BOC 1 12.297 -4.990 -0.574 1.00 0.00 ATOM 15 H32 BOC 1 11.038 -5.701 0.435 1.00 0.00 ATOM 16 H33 BOC 1 12.467 -6.644 0.014 1.00 0.00 ATOM 17 N ASPH 2 11.431 -1.820 1.748 1.00 0.00 ATOM 18 HN ASPH 2 12.302 -1.385 1.636 1.00 0.00 ATOM 19 CA ASPH 2 10.227 -1.004 1.653 1.00 0.00 ATOM 20 HA ASPH 2 9.496 -1.557 1.083 1.00 0.00 ATOM 21 CB ASPH 2 9.665 -0.725 3.047 1.00 0.00 ATOM 22 HB1 ASPH 2 8.983 0.113 2.993 1.00 0.00 ATOM 23 HB2 ASPH 2 10.477 -0.481 3.714 1.00 0.00 ATOM 24 CG ASPH 2 8.918 -1.915 3.617 1.00 0.00 ATOM 25 OD1 ASPH 2 9.516 -2.662 4.420 1.00 0.00 ATOM 26 OD2 ASPH 2 7.735 -2.099 3.262 1.00 0.00 ATOM 27 HD ASPH 2 9.310 -2.460 5.187 1.00 0.00 ATOM 28 C ASPH 2 10.519 0.314 0.937 1.00 0.00 ATOM 29 O ASPH 2 10.918 1.295 1.564 1.00 0.00 ATOM 30 N DPRO 3 10.322 0.354 -0.394 1.00 0.00 ATOM 31 CA DPRO 3 10.569 1.561 -1.181 1.00 0.00 ATOM 32 HA DPRO 3 10.097 2.427 -0.729 1.00 0.00 ATOM 33 CB DPRO 3 9.903 1.264 -2.520 1.00 0.00 ATOM 34 HB1 DPRO 3 10.468 1.723 -3.318 1.00 0.00 ATOM 35 HB2 DPRO 3 8.893 1.649 -2.518 1.00 0.00 ATOM 36 CG DPRO 3 9.920 -0.221 -2.628 1.00 0.00 ATOM 37 HG1 DPRO 3 10.855 -0.548 -3.057 1.00 0.00 ATOM 38 HG2 DPRO 3 9.091 -0.555 -3.235 1.00 0.00 ATOM 39 CD DPRO 3 9.782 -0.741 -1.223 1.00 0.00 ATOM 40 HD1 DPRO 3 10.362 -1.643 -1.095 1.00 0.00 ATOM 41 HD2 DPRO 3 8.744 -0.924 -0.990 1.00 0.00 ATOM 42 C DPRO 3 12.065 1.808 -1.381 1.00 0.00 ATOM 43 O DPRO 3 12.555 1.822 -2.511 1.00 0.00 ATOM 44 N THRB 4 12.733 2.212 -0.305 1.00 0.00 ATOM 45 HN THRB 4 12.252 2.330 0.540 1.00 0.00 ATOM 46 CA THRB 4 14.165 2.483 -0.351 1.00 0.00 ATOM 47 HA THRB 4 14.555 2.054 -1.262 1.00 0.00 ATOM 48 CB THRB 4 14.418 3.993 -0.366 1.00 0.00 ATOM 49 HB THRB 4 15.373 4.195 0.095 1.00 0.00 ATOM 50 OG1 THRB 4 13.372 4.549 0.439 1.00 0.00 ATOM 51 CG2 THRB 4 14.447 4.589 -1.756 1.00 0.00 ATOM 52 HG21 THRB 4 13.976 5.561 -1.741 1.00 0.00 ATOM 53 HG22 THRB 4 13.914 3.940 -2.436 1.00 0.00 ATOM 54 HG23 THRB 4 15.471 4.690 -2.083 1.00 0.00 ATOM 55 C THRB 4 14.877 1.844 0.838 1.00 0.00 ATOM 56 O THRB 4 15.650 2.502 1.535 1.00 0.00 ATOM 57 CD THRB 4 13.786 5.128 1.679 1.00 0.00 ATOM 58 HD1 THRB 4 13.004 4.999 2.416 1.00 0.00 ATOM 59 HD2 THRB 4 14.684 4.642 2.025 1.00 0.00 ATOM 60 CE THRB 4 14.079 6.596 1.540 1.00 0.00 ATOM 61 CZ1 THRB 4 13.167 7.542 1.979 1.00 0.00 ATOM 62 HZ1 THRB 4 12.239 7.217 2.425 1.00 0.00 ATOM 63 CZ2 THRB 4 15.266 7.027 0.970 1.00 0.00 ATOM 64 HZ2 THRB 4 15.984 6.298 0.625 1.00 0.00 ATOM 65 CH1 THRB 4 13.433 8.892 1.852 1.00 0.00 ATOM 66 HH1 THRB 4 12.714 9.620 2.197 1.00 0.00 ATOM 67 CH2 THRB 4 15.538 8.376 0.840 1.00 0.00 ATOM 68 HH2 THRB 4 16.467 8.700 0.395 1.00 0.00 ATOM 69 CTH THRB 4 14.620 9.309 1.281 1.00 0.00 ATOM 70 HTH THRB 4 14.831 10.364 1.182 1.00 0.00 ATOM 71 N ASNT 5 14.447 0.636 1.188 1.00 0.00 ATOM 72 HN ASNT 5 13.716 0.223 0.683 1.00 0.00 ATOM 73 CA ASNT 5 15.037 -0.092 2.306 1.00 0.00 ATOM 74 HA ASNT 5 15.894 0.468 2.652 1.00 0.00 ATOM 75 CB ASNT 5 14.028 -0.214 3.450 1.00 0.00 ATOM 76 HB1 ASNT 5 13.574 -1.193 3.419 1.00 0.00 ATOM 77 HB2 ASNT 5 13.262 0.538 3.328 1.00 0.00 ATOM 78 CG ASNT 5 14.671 -0.025 4.811 1.00 0.00 ATOM 79 OD1 ASNT 5 14.835 -0.967 5.587 1.00 0.00 ATOM 80 ND2 ASNT 5 15.044 1.225 5.074 1.00 0.00 ATOM 81 HD1 ASNT 5 14.890 1.908 4.390 1.00 0.00 ATOM 82 CQ ASNT 5 15.689 1.730 6.323 1.00 0.00 ATOM 83 CG1 ASNT 5 14.577 1.671 7.396 1.00 0.00 ATOM 84 CD11 ASNT 5 13.663 2.707 7.519 1.00 0.00 ATOM 85 HD11 ASNT 5 13.788 3.597 6.921 1.00 0.00 ATOM 86 CD12 ASNT 5 14.404 0.532 8.170 1.00 0.00 ATOM 87 HD12 ASNT 5 15.108 -0.280 8.082 1.00 0.00 ATOM 88 CE11 ASNT 5 12.600 2.610 8.395 1.00 0.00 ATOM 89 HE11 ASNT 5 11.895 3.423 8.482 1.00 0.00 ATOM 90 CE12 ASNT 5 13.342 0.432 9.048 1.00 0.00 ATOM 91 HE12 ASNT 5 13.175 -0.489 9.591 1.00 0.00 ATOM 92 CZ1 ASNT 5 12.439 1.471 9.162 1.00 0.00 ATOM 93 HZ1 ASNT 5 11.607 1.393 9.847 1.00 0.00 ATOM 94 CG2 ASNT 5 16.164 3.168 6.012 1.00 0.00 ATOM 95 CD21 ASNT 5 16.205 4.126 7.013 1.00 0.00 ATOM 96 HD21 ASNT 5 15.813 3.889 7.990 1.00 0.00 ATOM 97 CD22 ASNT 5 16.671 3.487 4.761 1.00 0.00 ATOM 98 HD22 ASNT 5 16.646 2.748 3.974 1.00 0.00 ATOM 99 CE21 ASNT 5 16.739 5.377 6.771 1.00 0.00 ATOM 100 HE21 ASNT 5 16.765 6.116 7.559 1.00 0.00 ATOM 101 CE22 ASNT 5 17.206 4.738 4.513 1.00 0.00 ATOM 102 HE22 ASNT 5 17.682 4.942 3.566 1.00 0.00 ATOM 103 CZ2 ASNT 5 17.239 5.683 5.520 1.00 0.00 ATOM 104 HZ2 ASNT 5 17.657 6.661 5.329 1.00 0.00 ATOM 105 CG3 ASNT 5 16.873 0.782 6.628 1.00 0.00 ATOM 106 CD31 ASNT 5 17.529 0.119 5.602 1.00 0.00 ATOM 107 HD31 ASNT 5 17.150 0.195 4.594 1.00 0.00 ATOM 108 CD32 ASNT 5 17.370 0.677 7.917 1.00 0.00 ATOM 109 HD32 ASNT 5 16.866 1.190 8.723 1.00 0.00 ATOM 110 CE31 ASNT 5 18.659 -0.636 5.859 1.00 0.00 ATOM 111 HE31 ASNT 5 19.161 -1.148 5.052 1.00 0.00 ATOM 112 CE32 ASNT 5 18.499 -0.077 8.180 1.00 0.00 ATOM 113 HE32 ASNT 5 18.833 -0.210 9.198 1.00 0.00 ATOM 114 CZ3 ASNT 5 19.144 -0.733 7.149 1.00 0.00 ATOM 115 HZ3 ASNT 5 20.026 -1.322 7.352 1.00 0.00 ATOM 116 C ASNT 5 15.501 -1.479 1.869 1.00 0.00 ATOM 117 O ASNT 5 15.302 -2.460 2.585 1.00 0.00 ATOM 118 N TYRT 6 15.920 -1.582 0.611 1.00 0.00 ATOM 119 HN TYRT 6 15.912 -0.787 0.039 1.00 0.00 ATOM 120 CA TYRT 6 16.391 -2.849 0.065 1.00 0.00 ATOM 121 HA TYRT 6 15.582 -3.560 0.131 1.00 0.00 ATOM 122 CB TYRT 6 16.785 -2.680 -1.405 1.00 0.00 ATOM 123 HB1 TYRT 6 17.536 -3.413 -1.655 1.00 0.00 ATOM 124 HB2 TYRT 6 17.192 -1.691 -1.549 1.00 0.00 ATOM 125 CG TYRT 6 15.628 -2.849 -2.365 1.00 0.00 ATOM 126 CD1 TYRT 6 14.484 -2.066 -2.250 1.00 0.00 ATOM 127 HD1 TYRT 6 14.429 -1.329 -1.462 1.00 0.00 ATOM 128 CD2 TYRT 6 15.681 -3.792 -3.385 1.00 0.00 ATOM 129 HD2 TYRT 6 16.562 -4.409 -3.487 1.00 0.00 ATOM 130 CE1 TYRT 6 13.426 -2.218 -3.125 1.00 0.00 ATOM 131 HE1 TYRT 6 12.545 -1.601 -3.023 1.00 0.00 ATOM 132 CE2 TYRT 6 14.626 -3.950 -4.264 1.00 0.00 ATOM 133 HE2 TYRT 6 14.682 -4.688 -5.051 1.00 0.00 ATOM 134 CZ TYRT 6 13.507 -3.161 -4.126 1.00 0.00 ATOM 135 O2 TYRT 6 12.512 -3.212 -5.096 1.00 0.00 ATOM 136 CQ TYRT 6 12.681 -2.493 -6.366 1.00 0.00 ATOM 137 C1 TYRT 6 11.429 -2.673 -7.224 1.00 0.00 ATOM 138 C2 TYRT 6 12.894 -1.005 -6.088 1.00 0.00 ATOM 139 C3 TYRT 6 13.893 -3.073 -7.079 1.00 0.00 ATOM 140 H11 TYRT 6 10.554 -2.496 -6.620 1.00 0.00 ATOM 141 H12 TYRT 6 11.404 -3.680 -7.611 1.00 0.00 ATOM 142 H13 TYRT 6 11.445 -1.973 -8.048 1.00 0.00 ATOM 143 H21 TYRT 6 13.576 -0.892 -5.261 1.00 0.00 ATOM 144 H22 TYRT 6 11.947 -0.549 -5.842 1.00 0.00 ATOM 145 H23 TYRT 6 13.307 -0.525 -6.964 1.00 0.00 ATOM 146 H31 TYRT 6 13.924 -4.140 -6.920 1.00 0.00 ATOM 147 H32 TYRT 6 14.790 -2.622 -6.683 1.00 0.00 ATOM 148 H33 TYRT 6 13.827 -2.870 -8.139 1.00 0.00 ATOM 149 C TYRT 6 17.579 -3.380 0.862 1.00 0.00 ATOM 150 O TYRT 6 17.476 -4.398 1.544 1.00 0.00 ATOM 151 N GLY 7 18.706 -2.681 0.772 1.00 0.00 ATOM 152 HN GLY 7 18.730 -1.876 0.213 1.00 0.00 ATOM 153 CA GLY 7 19.896 -3.097 1.490 1.00 0.00 ATOM 154 HA1 GLY 7 20.029 -4.161 1.357 1.00 0.00 ATOM 155 HA2 GLY 7 19.759 -2.890 2.541 1.00 0.00 ATOM 156 C GLY 7 21.144 -2.383 1.009 1.00 0.00 ATOM 157 O GLY 7 22.069 -2.115 1.776 1.00 0.00 ATOM 158 O2 OME 8 21.030 -2.003 -0.283 1.00 0.00 ATOM 159 C1 OME 8 22.118 -1.261 -0.811 1.00 0.00 ATOM 160 H1 OME 8 21.789 -0.689 -1.663 1.00 0.00 ATOM 161 H2 OME 8 22.901 -1.934 -1.119 1.00 0.00 ATOM 162 H3 OME 8 22.513 -0.582 -0.066 1.00 0.00 END REMARK FILENAME="accept_7.pdb" REMARK =============================================================== REMARK DATE:17-Sep-2013 08:33:53 created by user: PAL REMARK VERSION:1.21 ATOM 1 O BOC 1 10.918 -3.908 0.197 1.00 0.00 ATOM 2 C BOC 1 12.120 -3.641 0.172 1.00 0.00 ATOM 3 O2 BOC 1 13.016 -4.083 -0.740 1.00 0.00 ATOM 4 CQ BOC 1 12.656 -5.141 -1.695 1.00 0.00 ATOM 5 C1 BOC 1 13.869 -5.484 -2.558 1.00 0.00 ATOM 6 C2 BOC 1 12.209 -6.389 -0.934 1.00 0.00 ATOM 7 C3 BOC 1 11.520 -4.625 -2.568 1.00 0.00 ATOM 8 H11 BOC 1 13.570 -6.165 -3.339 1.00 0.00 ATOM 9 H12 BOC 1 14.625 -5.947 -1.943 1.00 0.00 ATOM 10 H13 BOC 1 14.270 -4.582 -3.002 1.00 0.00 ATOM 11 H21 BOC 1 11.669 -7.041 -1.603 1.00 0.00 ATOM 12 H22 BOC 1 11.567 -6.099 -0.117 1.00 0.00 ATOM 13 H23 BOC 1 13.073 -6.911 -0.545 1.00 0.00 ATOM 14 H31 BOC 1 10.858 -5.441 -2.812 1.00 0.00 ATOM 15 H32 BOC 1 11.930 -4.207 -3.474 1.00 0.00 ATOM 16 H33 BOC 1 10.968 -3.861 -2.039 1.00 0.00 ATOM 17 N ASPH 2 12.716 -2.866 1.074 1.00 0.00 ATOM 18 HN ASPH 2 13.660 -2.640 0.946 1.00 0.00 ATOM 19 CA ASPH 2 11.935 -2.088 2.028 1.00 0.00 ATOM 20 HA ASPH 2 10.927 -2.471 2.024 1.00 0.00 ATOM 21 CB ASPH 2 12.518 -2.237 3.435 1.00 0.00 ATOM 22 HB1 ASPH 2 13.388 -1.603 3.527 1.00 0.00 ATOM 23 HB2 ASPH 2 12.808 -3.265 3.591 1.00 0.00 ATOM 24 CG ASPH 2 11.526 -1.849 4.515 1.00 0.00 ATOM 25 OD1 ASPH 2 10.458 -2.492 4.598 1.00 0.00 ATOM 26 OD2 ASPH 2 11.818 -0.904 5.278 1.00 0.00 ATOM 27 HD ASPH 2 9.959 -2.273 3.985 1.00 0.00 ATOM 28 C ASPH 2 11.905 -0.612 1.632 1.00 0.00 ATOM 29 O ASPH 2 12.803 0.151 1.986 1.00 0.00 ATOM 30 N DPRO 3 10.866 -0.190 0.888 1.00 0.00 ATOM 31 CA DPRO 3 10.735 1.201 0.452 1.00 0.00 ATOM 32 HA DPRO 3 10.559 1.862 1.296 1.00 0.00 ATOM 33 CB DPRO 3 9.503 1.193 -0.449 1.00 0.00 ATOM 34 HB1 DPRO 3 9.809 1.092 -1.481 1.00 0.00 ATOM 35 HB2 DPRO 3 8.952 2.113 -0.319 1.00 0.00 ATOM 36 CG DPRO 3 8.713 0.014 -0.001 1.00 0.00 ATOM 37 HG1 DPRO 3 8.133 -0.374 -0.824 1.00 0.00 ATOM 38 HG2 DPRO 3 8.065 0.295 0.817 1.00 0.00 ATOM 39 CD DPRO 3 9.717 -1.008 0.457 1.00 0.00 ATOM 40 HD1 DPRO 3 9.992 -1.658 -0.361 1.00 0.00 ATOM 41 HD2 DPRO 3 9.322 -1.582 1.281 1.00 0.00 ATOM 42 C DPRO 3 11.957 1.662 -0.343 1.00 0.00 ATOM 43 O DPRO 3 12.192 1.193 -1.456 1.00 0.00 ATOM 44 N THRB 4 12.598 2.723 0.138 1.00 0.00 ATOM 45 HN THRB 4 12.268 3.150 0.957 1.00 0.00 ATOM 46 CA THRB 4 13.779 3.267 -0.522 1.00 0.00 ATOM 47 HA THRB 4 13.778 2.915 -1.543 1.00 0.00 ATOM 48 CB THRB 4 13.730 4.797 -0.525 1.00 0.00 ATOM 49 HB THRB 4 14.689 5.180 -0.841 1.00 0.00 ATOM 50 OG1 THRB 4 13.501 5.159 0.841 1.00 0.00 ATOM 51 CG2 THRB 4 12.681 5.368 -1.452 1.00 0.00 ATOM 52 HG21 THRB 4 12.448 4.647 -2.221 1.00 0.00 ATOM 53 HG22 THRB 4 13.059 6.272 -1.909 1.00 0.00 ATOM 54 HG23 THRB 4 11.788 5.596 -0.890 1.00 0.00 ATOM 55 C THRB 4 15.056 2.786 0.161 1.00 0.00 ATOM 56 O THRB 4 15.998 3.558 0.340 1.00 0.00 ATOM 57 CD THRB 4 14.185 6.331 1.289 1.00 0.00 ATOM 58 HD1 THRB 4 15.230 6.100 1.447 1.00 0.00 ATOM 59 HD2 THRB 4 14.101 7.106 0.544 1.00 0.00 ATOM 60 CE THRB 4 13.608 6.859 2.573 1.00 0.00 ATOM 61 CZ1 THRB 4 12.657 7.867 2.558 1.00 0.00 ATOM 62 HZ1 THRB 4 12.331 8.274 1.612 1.00 0.00 ATOM 63 CZ2 THRB 4 14.016 6.345 3.793 1.00 0.00 ATOM 64 HZ2 THRB 4 14.757 5.559 3.816 1.00 0.00 ATOM 65 CH1 THRB 4 12.126 8.354 3.737 1.00 0.00 ATOM 66 HH1 THRB 4 11.386 9.140 3.712 1.00 0.00 ATOM 67 CH2 THRB 4 13.488 6.828 4.976 1.00 0.00 ATOM 68 HH2 THRB 4 13.815 6.419 5.919 1.00 0.00 ATOM 69 CTH THRB 4 12.541 7.834 4.947 1.00 0.00 ATOM 70 HTH THRB 4 12.127 8.212 5.869 1.00 0.00 ATOM 71 N ASNT 5 14.997 1.585 0.726 1.00 0.00 ATOM 72 HN ASNT 5 14.161 1.076 0.681 1.00 0.00 ATOM 73 CA ASNT 5 16.146 1.005 1.410 1.00 0.00 ATOM 74 HA ASNT 5 16.895 1.776 1.512 1.00 0.00 ATOM 75 CB ASNT 5 15.743 0.515 2.804 1.00 0.00 ATOM 76 HB1 ASNT 5 15.736 -0.564 2.814 1.00 0.00 ATOM 77 HB2 ASNT 5 14.752 0.879 3.034 1.00 0.00 ATOM 78 CG ASNT 5 16.693 1.000 3.883 1.00 0.00 ATOM 79 OD1 ASNT 5 17.822 0.526 4.012 1.00 0.00 ATOM 80 ND2 ASNT 5 16.205 1.973 4.648 1.00 0.00 ATOM 81 HD1 ASNT 5 15.299 2.299 4.462 1.00 0.00 ATOM 82 CQ ASNT 5 16.891 2.660 5.782 1.00 0.00 ATOM 83 CG1 ASNT 5 15.803 3.490 6.502 1.00 0.00 ATOM 84 CD11 ASNT 5 14.514 2.996 6.634 1.00 0.00 ATOM 85 HD11 ASNT 5 14.250 2.068 6.149 1.00 0.00 ATOM 86 CD12 ASNT 5 16.129 4.682 7.132 1.00 0.00 ATOM 87 HD12 ASNT 5 17.130 5.075 7.035 1.00 0.00 ATOM 88 CE11 ASNT 5 13.569 3.678 7.377 1.00 0.00 ATOM 89 HE11 ASNT 5 12.569 3.282 7.472 1.00 0.00 ATOM 90 CE12 ASNT 5 15.187 5.369 7.875 1.00 0.00 ATOM 91 HE12 ASNT 5 15.481 6.238 8.445 1.00 0.00 ATOM 92 CZ1 ASNT 5 13.906 4.865 7.997 1.00 0.00 ATOM 93 HZ1 ASNT 5 13.168 5.399 8.578 1.00 0.00 ATOM 94 CG2 ASNT 5 17.984 3.529 5.118 1.00 0.00 ATOM 95 CD21 ASNT 5 19.259 3.023 4.908 1.00 0.00 ATOM 96 HD21 ASNT 5 19.512 2.047 5.295 1.00 0.00 ATOM 97 CD22 ASNT 5 17.674 4.784 4.613 1.00 0.00 ATOM 98 HD22 ASNT 5 16.685 5.188 4.770 1.00 0.00 ATOM 99 CE21 ASNT 5 20.203 3.752 4.211 1.00 0.00 ATOM 100 HE21 ASNT 5 21.191 3.347 4.054 1.00 0.00 ATOM 101 CE22 ASNT 5 18.615 5.517 3.915 1.00 0.00 ATOM 102 HE22 ASNT 5 18.344 6.467 3.479 1.00 0.00 ATOM 103 CZ2 ASNT 5 19.880 5.000 3.714 1.00 0.00 ATOM 104 HZ2 ASNT 5 20.617 5.573 3.169 1.00 0.00 ATOM 105 CG3 ASNT 5 17.471 1.552 6.692 1.00 0.00 ATOM 106 CD31 ASNT 5 18.532 1.826 7.539 1.00 0.00 ATOM 107 HD31 ASNT 5 19.012 2.792 7.493 1.00 0.00 ATOM 108 CD32 ASNT 5 16.864 0.306 6.763 1.00 0.00 ATOM 109 HD32 ASNT 5 16.036 0.082 6.108 1.00 0.00 ATOM 110 CE31 ASNT 5 18.981 0.878 8.439 1.00 0.00 ATOM 111 HE31 ASNT 5 19.810 1.103 9.094 1.00 0.00 ATOM 112 CE32 ASNT 5 17.310 -0.646 7.660 1.00 0.00 ATOM 113 HE32 ASNT 5 16.877 -1.636 7.656 1.00 0.00 ATOM 114 CZ3 ASNT 5 18.369 -0.361 8.499 1.00 0.00 ATOM 115 HZ3 ASNT 5 18.719 -1.103 9.202 1.00 0.00 ATOM 116 C ASNT 5 16.735 -0.147 0.602 1.00 0.00 ATOM 117 O ASNT 5 17.912 -0.475 0.747 1.00 0.00 ATOM 118 N TYRT 6 15.863 -0.884 -0.080 1.00 0.00 ATOM 119 HN TYRT 6 14.910 -0.661 -0.033 1.00 0.00 ATOM 120 CA TYRT 6 16.291 -2.015 -0.895 1.00 0.00 ATOM 121 HA TYRT 6 15.410 -2.452 -1.341 1.00 0.00 ATOM 122 CB TYRT 6 17.229 -1.543 -2.008 1.00 0.00 ATOM 123 HB1 TYRT 6 17.284 -2.306 -2.770 1.00 0.00 ATOM 124 HB2 TYRT 6 18.213 -1.383 -1.595 1.00 0.00 ATOM 125 CG TYRT 6 16.790 -0.255 -2.670 1.00 0.00 ATOM 126 CD1 TYRT 6 15.463 -0.060 -3.043 1.00 0.00 ATOM 127 HD1 TYRT 6 14.745 -0.845 -2.854 1.00 0.00 ATOM 128 CD2 TYRT 6 17.701 0.765 -2.919 1.00 0.00 ATOM 129 HD2 TYRT 6 18.734 0.629 -2.635 1.00 0.00 ATOM 130 CE1 TYRT 6 15.058 1.115 -3.644 1.00 0.00 ATOM 131 HE1 TYRT 6 14.025 1.251 -3.928 1.00 0.00 ATOM 132 CE2 TYRT 6 17.302 1.944 -3.521 1.00 0.00 ATOM 133 HE2 TYRT 6 18.023 2.727 -3.708 1.00 0.00 ATOM 134 CZ TYRT 6 15.984 2.108 -3.879 1.00 0.00 ATOM 135 O2 TYRT 6 15.551 3.345 -4.344 1.00 0.00 ATOM 136 CQ TYRT 6 15.398 3.577 -5.785 1.00 0.00 ATOM 137 C1 TYRT 6 16.742 3.370 -6.482 1.00 0.00 ATOM 138 C2 TYRT 6 14.374 2.596 -6.356 1.00 0.00 ATOM 139 C3 TYRT 6 14.919 5.009 -5.984 1.00 0.00 ATOM 140 H11 TYRT 6 17.289 4.299 -6.483 1.00 0.00 ATOM 141 H12 TYRT 6 16.571 3.050 -7.499 1.00 0.00 ATOM 142 H13 TYRT 6 17.314 2.616 -5.959 1.00 0.00 ATOM 143 H21 TYRT 6 13.646 2.360 -5.596 1.00 0.00 ATOM 144 H22 TYRT 6 14.879 1.695 -6.666 1.00 0.00 ATOM 145 H23 TYRT 6 13.874 3.040 -7.206 1.00 0.00 ATOM 146 H31 TYRT 6 15.303 5.626 -5.188 1.00 0.00 ATOM 147 H32 TYRT 6 13.841 5.029 -5.970 1.00 0.00 ATOM 148 H33 TYRT 6 15.274 5.386 -6.934 1.00 0.00 ATOM 149 C TYRT 6 16.986 -3.069 -0.042 1.00 0.00 ATOM 150 O TYRT 6 17.885 -3.768 -0.511 1.00 0.00 ATOM 151 N GLY 7 16.565 -3.179 1.214 1.00 0.00 ATOM 152 HN GLY 7 15.844 -2.595 1.533 1.00 0.00 ATOM 153 CA GLY 7 17.159 -4.151 2.113 1.00 0.00 ATOM 154 HA1 GLY 7 17.307 -5.077 1.577 1.00 0.00 ATOM 155 HA2 GLY 7 16.479 -4.329 2.934 1.00 0.00 ATOM 156 C GLY 7 18.490 -3.689 2.670 1.00 0.00 ATOM 157 O GLY 7 19.489 -4.407 2.634 1.00 0.00 ATOM 158 O2 OME 8 18.381 -2.490 3.284 1.00 0.00 ATOM 159 C1 OME 8 19.558 -1.999 3.904 1.00 0.00 ATOM 160 H1 OME 8 20.203 -1.554 3.164 1.00 0.00 ATOM 161 H2 OME 8 20.080 -2.810 4.385 1.00 0.00 ATOM 162 H3 OME 8 19.315 -1.251 4.648 1.00 0.00 END REMARK FILENAME="accept_8.pdb" REMARK =============================================================== REMARK DATE:17-Sep-2013 08:33:57 created by user: PAL REMARK VERSION:1.21 ATOM 1 O BOC 1 13.531 -2.071 0.661 1.00 0.00 ATOM 2 C BOC 1 12.691 -2.922 0.368 1.00 0.00 ATOM 3 O2 BOC 1 12.868 -3.953 -0.488 1.00 0.00 ATOM 4 CQ BOC 1 12.368 -3.877 -1.867 1.00 0.00 ATOM 5 C1 BOC 1 10.852 -3.686 -1.854 1.00 0.00 ATOM 6 C2 BOC 1 13.022 -2.696 -2.584 1.00 0.00 ATOM 7 C3 BOC 1 12.726 -5.178 -2.570 1.00 0.00 ATOM 8 H11 BOC 1 10.488 -3.651 -2.869 1.00 0.00 ATOM 9 H12 BOC 1 10.614 -2.762 -1.352 1.00 0.00 ATOM 10 H13 BOC 1 10.384 -4.509 -1.332 1.00 0.00 ATOM 11 H21 BOC 1 12.627 -1.774 -2.186 1.00 0.00 ATOM 12 H22 BOC 1 12.807 -2.756 -3.639 1.00 0.00 ATOM 13 H23 BOC 1 14.092 -2.722 -2.434 1.00 0.00 ATOM 14 H31 BOC 1 13.733 -5.113 -2.951 1.00 0.00 ATOM 15 H32 BOC 1 12.040 -5.342 -3.387 1.00 0.00 ATOM 16 H33 BOC 1 12.659 -6.003 -1.874 1.00 0.00 ATOM 17 N ASPH 2 11.457 -2.932 0.864 1.00 0.00 ATOM 18 HN ASPH 2 10.869 -3.685 0.641 1.00 0.00 ATOM 19 CA ASPH 2 11.085 -2.063 1.974 1.00 0.00 ATOM 20 HA ASPH 2 10.033 -2.208 2.170 1.00 0.00 ATOM 21 CB ASPH 2 11.879 -2.435 3.228 1.00 0.00 ATOM 22 HB1 ASPH 2 12.630 -1.681 3.410 1.00 0.00 ATOM 23 HB2 ASPH 2 12.363 -3.388 3.070 1.00 0.00 ATOM 24 CG ASPH 2 11.000 -2.545 4.458 1.00 0.00 ATOM 25 OD1 ASPH 2 10.857 -3.668 4.987 1.00 0.00 ATOM 26 OD2 ASPH 2 10.456 -1.509 4.894 1.00 0.00 ATOM 27 HD ASPH 2 11.592 -3.975 5.180 1.00 0.00 ATOM 28 C ASPH 2 11.319 -0.594 1.623 1.00 0.00 ATOM 29 O ASPH 2 12.386 -0.044 1.899 1.00 0.00 ATOM 30 N DPRO 3 10.321 0.063 1.009 1.00 0.00 ATOM 31 CA DPRO 3 10.430 1.471 0.627 1.00 0.00 ATOM 32 HA DPRO 3 10.567 2.104 1.499 1.00 0.00 ATOM 33 CB DPRO 3 9.083 1.787 -0.019 1.00 0.00 ATOM 34 HB1 DPRO 3 9.229 2.453 -0.855 1.00 0.00 ATOM 35 HB2 DPRO 3 8.432 2.250 0.708 1.00 0.00 ATOM 36 CG DPRO 3 8.554 0.468 -0.463 1.00 0.00 ATOM 37 HG1 DPRO 3 8.926 0.236 -1.450 1.00 0.00 ATOM 38 HG2 DPRO 3 7.474 0.486 -0.462 1.00 0.00 ATOM 39 CD DPRO 3 9.060 -0.536 0.534 1.00 0.00 ATOM 40 HD1 DPRO 3 9.242 -1.486 0.053 1.00 0.00 ATOM 41 HD2 DPRO 3 8.357 -0.650 1.346 1.00 0.00 ATOM 42 C DPRO 3 11.558 1.698 -0.381 1.00 0.00 ATOM 43 O DPRO 3 11.410 1.393 -1.564 1.00 0.00 ATOM 44 N THRB 4 12.585 2.422 0.052 1.00 0.00 ATOM 45 HN THRB 4 12.573 2.768 0.969 1.00 0.00 ATOM 46 CA THRB 4 13.729 2.715 -0.803 1.00 0.00 ATOM 47 HA THRB 4 13.646 2.103 -1.690 1.00 0.00 ATOM 48 CB THRB 4 13.722 4.189 -1.213 1.00 0.00 ATOM 49 HB THRB 4 14.628 4.409 -1.757 1.00 0.00 ATOM 50 OG1 THRB 4 13.719 4.913 0.024 1.00 0.00 ATOM 51 CG2 THRB 4 12.555 4.566 -2.098 1.00 0.00 ATOM 52 HG21 THRB 4 12.150 3.677 -2.558 1.00 0.00 ATOM 53 HG22 THRB 4 12.890 5.248 -2.866 1.00 0.00 ATOM 54 HG23 THRB 4 11.790 5.043 -1.503 1.00 0.00 ATOM 55 C THRB 4 15.039 2.377 -0.095 1.00 0.00 ATOM 56 O THRB 4 16.008 3.131 -0.181 1.00 0.00 ATOM 57 CD THRB 4 14.704 5.945 0.144 1.00 0.00 ATOM 58 HD1 THRB 4 15.251 5.813 1.069 1.00 0.00 ATOM 59 HD2 THRB 4 15.390 5.894 -0.685 1.00 0.00 ATOM 60 CE THRB 4 14.081 7.313 0.147 1.00 0.00 ATOM 61 CZ1 THRB 4 14.870 8.448 0.232 1.00 0.00 ATOM 62 HZ1 THRB 4 15.943 8.343 0.296 1.00 0.00 ATOM 63 CZ2 THRB 4 12.705 7.462 0.064 1.00 0.00 ATOM 64 HZ2 THRB 4 12.080 6.584 -0.003 1.00 0.00 ATOM 65 CH1 THRB 4 14.301 9.707 0.234 1.00 0.00 ATOM 66 HH1 THRB 4 14.927 10.584 0.301 1.00 0.00 ATOM 67 CH2 THRB 4 12.130 8.718 0.065 1.00 0.00 ATOM 68 HH2 THRB 4 11.057 8.821 0.000 1.00 0.00 ATOM 69 CTH THRB 4 12.928 9.842 0.150 1.00 0.00 ATOM 70 HTH THRB 4 12.481 10.825 0.152 1.00 0.00 ATOM 71 N ASNT 5 14.989 1.367 0.768 1.00 0.00 ATOM 72 HN ASNT 5 14.140 0.899 0.907 1.00 0.00 ATOM 73 CA ASNT 5 16.168 0.940 1.513 1.00 0.00 ATOM 74 HA ASNT 5 16.795 1.806 1.665 1.00 0.00 ATOM 75 CB ASNT 5 15.759 0.378 2.875 1.00 0.00 ATOM 76 HB1 ASNT 5 16.625 -0.059 3.353 1.00 0.00 ATOM 77 HB2 ASNT 5 15.009 -0.386 2.733 1.00 0.00 ATOM 78 CG ASNT 5 15.191 1.443 3.794 1.00 0.00 ATOM 79 OD1 ASNT 5 14.399 2.294 3.388 1.00 0.00 ATOM 80 ND2 ASNT 5 15.611 1.364 5.054 1.00 0.00 ATOM 81 HD1 ASNT 5 16.230 0.641 5.291 1.00 0.00 ATOM 82 CQ ASNT 5 15.233 2.256 6.190 1.00 0.00 ATOM 83 CG1 ASNT 5 16.190 1.901 7.352 1.00 0.00 ATOM 84 CD11 ASNT 5 17.515 1.580 7.101 1.00 0.00 ATOM 85 HD11 ASNT 5 17.853 1.487 6.079 1.00 0.00 ATOM 86 CD12 ASNT 5 15.771 2.018 8.668 1.00 0.00 ATOM 87 HD12 ASNT 5 14.740 2.268 8.876 1.00 0.00 ATOM 88 CE11 ASNT 5 18.402 1.378 8.140 1.00 0.00 ATOM 89 HE11 ASNT 5 19.432 1.128 7.931 1.00 0.00 ATOM 90 CE12 ASNT 5 16.653 1.816 9.713 1.00 0.00 ATOM 91 HE12 ASNT 5 16.294 1.822 10.731 1.00 0.00 ATOM 92 CZ1 ASNT 5 17.971 1.496 9.448 1.00 0.00 ATOM 93 HZ1 ASNT 5 18.662 1.338 10.262 1.00 0.00 ATOM 94 CG2 ASNT 5 13.755 1.919 6.489 1.00 0.00 ATOM 95 CD21 ASNT 5 12.732 2.613 5.860 1.00 0.00 ATOM 96 HD21 ASNT 5 12.972 3.455 5.228 1.00 0.00 ATOM 97 CD22 ASNT 5 13.430 0.839 7.296 1.00 0.00 ATOM 98 HD22 ASNT 5 14.218 0.290 7.790 1.00 0.00 ATOM 99 CE21 ASNT 5 11.413 2.238 6.034 1.00 0.00 ATOM 100 HE21 ASNT 5 10.625 2.787 5.540 1.00 0.00 ATOM 101 CE22 ASNT 5 12.113 0.461 7.474 1.00 0.00 ATOM 102 HE22 ASNT 5 11.879 -0.429 8.040 1.00 0.00 ATOM 103 CZ2 ASNT 5 11.103 1.162 6.843 1.00 0.00 ATOM 104 HZ2 ASNT 5 10.073 0.867 6.980 1.00 0.00 ATOM 105 CG3 ASNT 5 15.432 3.711 5.699 1.00 0.00 ATOM 106 CD31 ASNT 5 14.758 4.754 6.313 1.00 0.00 ATOM 107 HD31 ASNT 5 14.023 4.534 7.074 1.00 0.00 ATOM 108 CD32 ASNT 5 16.374 4.005 4.725 1.00 0.00 ATOM 109 HD32 ASNT 5 16.906 3.198 4.241 1.00 0.00 ATOM 110 CE31 ASNT 5 15.015 6.064 5.960 1.00 0.00 ATOM 111 HE31 ASNT 5 14.482 6.869 6.445 1.00 0.00 ATOM 112 CE32 ASNT 5 16.635 5.314 4.368 1.00 0.00 ATOM 113 HE32 ASNT 5 17.432 5.535 3.674 1.00 0.00 ATOM 114 CZ3 ASNT 5 15.954 6.345 4.986 1.00 0.00 ATOM 115 HZ3 ASNT 5 16.156 7.369 4.710 1.00 0.00 ATOM 116 C ASNT 5 16.956 -0.107 0.733 1.00 0.00 ATOM 117 O ASNT 5 18.145 -0.306 0.981 1.00 0.00 ATOM 118 N TYRT 6 16.241 -0.911 -0.048 1.00 0.00 ATOM 119 HN TYRT 6 15.268 -0.798 -0.087 1.00 0.00 ATOM 120 CA TYRT 6 16.869 -1.955 -0.849 1.00 0.00 ATOM 121 HA TYRT 6 16.091 -2.468 -1.393 1.00 0.00 ATOM 122 CB TYRT 6 17.851 -1.337 -1.849 1.00 0.00 ATOM 123 HB1 TYRT 6 18.764 -1.915 -1.854 1.00 0.00 ATOM 124 HB2 TYRT 6 18.073 -0.325 -1.546 1.00 0.00 ATOM 125 CG TYRT 6 17.324 -1.290 -3.266 1.00 0.00 ATOM 126 CD1 TYRT 6 17.993 -1.937 -4.299 1.00 0.00 ATOM 127 HD1 TYRT 6 18.901 -2.480 -4.078 1.00 0.00 ATOM 128 CD2 TYRT 6 16.157 -0.596 -3.571 1.00 0.00 ATOM 129 HD2 TYRT 6 15.626 -0.088 -2.779 1.00 0.00 ATOM 130 CE1 TYRT 6 17.515 -1.896 -5.594 1.00 0.00 ATOM 131 HE1 TYRT 6 18.046 -2.404 -6.385 1.00 0.00 ATOM 132 CE2 TYRT 6 15.672 -0.550 -4.864 1.00 0.00 ATOM 133 HE2 TYRT 6 14.764 -0.007 -5.084 1.00 0.00 ATOM 134 CZ TYRT 6 16.357 -1.201 -5.866 1.00 0.00 ATOM 135 O2 TYRT 6 15.795 -1.283 -7.135 1.00 0.00 ATOM 136 CQ TYRT 6 14.792 -2.313 -7.430 1.00 0.00 ATOM 137 C1 TYRT 6 15.399 -3.697 -7.205 1.00 0.00 ATOM 138 C2 TYRT 6 13.586 -2.132 -6.508 1.00 0.00 ATOM 139 C3 TYRT 6 14.369 -2.157 -8.883 1.00 0.00 ATOM 140 H11 TYRT 6 16.076 -3.925 -8.013 1.00 0.00 ATOM 141 H12 TYRT 6 14.609 -4.432 -7.177 1.00 0.00 ATOM 142 H13 TYRT 6 15.939 -3.713 -6.268 1.00 0.00 ATOM 143 H21 TYRT 6 12.695 -2.464 -7.017 1.00 0.00 ATOM 144 H22 TYRT 6 13.489 -1.090 -6.250 1.00 0.00 ATOM 145 H23 TYRT 6 13.723 -2.715 -5.607 1.00 0.00 ATOM 146 H31 TYRT 6 13.341 -2.465 -8.991 1.00 0.00 ATOM 147 H32 TYRT 6 14.998 -2.773 -9.506 1.00 0.00 ATOM 148 H33 TYRT 6 14.467 -1.123 -9.185 1.00 0.00 ATOM 149 C TYRT 6 17.593 -2.962 0.040 1.00 0.00 ATOM 150 O TYRT 6 18.593 -3.556 -0.363 1.00 0.00 ATOM 151 N GLY 7 17.081 -3.149 1.252 1.00 0.00 ATOM 152 HN GLY 7 16.282 -2.648 1.520 1.00 0.00 ATOM 153 CA GLY 7 17.691 -4.084 2.179 1.00 0.00 ATOM 154 HA1 GLY 7 17.728 -5.060 1.716 1.00 0.00 ATOM 155 HA2 GLY 7 17.081 -4.142 3.069 1.00 0.00 ATOM 156 C GLY 7 19.096 -3.675 2.574 1.00 0.00 ATOM 157 O GLY 7 20.087 -4.248 2.117 1.00 0.00 ATOM 158 O2 OME 8 19.084 -2.729 3.538 1.00 0.00 ATOM 159 C1 OME 8 20.353 -2.328 4.031 1.00 0.00 ATOM 160 H1 OME 8 20.684 -3.019 4.789 1.00 0.00 ATOM 161 H2 OME 8 20.281 -1.342 4.460 1.00 0.00 ATOM 162 H3 OME 8 21.084 -2.309 3.234 1.00 0.00 END REMARK FILENAME="accept_9.pdb" REMARK =============================================================== REMARK DATE:17-Sep-2013 08:33:58 created by user: PAL REMARK VERSION:1.21 ATOM 1 O BOC 1 11.236 -4.671 1.103 1.00 0.00 ATOM 2 C BOC 1 12.011 -3.990 0.432 1.00 0.00 ATOM 3 O2 BOC 1 12.585 -4.358 -0.736 1.00 0.00 ATOM 4 CQ BOC 1 13.098 -5.723 -0.923 1.00 0.00 ATOM 5 C1 BOC 1 11.969 -6.730 -0.705 1.00 0.00 ATOM 6 C2 BOC 1 13.642 -5.872 -2.343 1.00 0.00 ATOM 7 C3 BOC 1 14.210 -5.954 0.090 1.00 0.00 ATOM 8 H11 BOC 1 11.942 -7.017 0.334 1.00 0.00 ATOM 9 H12 BOC 1 12.147 -7.602 -1.316 1.00 0.00 ATOM 10 H13 BOC 1 11.022 -6.285 -0.981 1.00 0.00 ATOM 11 H21 BOC 1 14.289 -6.734 -2.388 1.00 0.00 ATOM 12 H22 BOC 1 14.200 -4.987 -2.606 1.00 0.00 ATOM 13 H23 BOC 1 12.824 -6.001 -3.038 1.00 0.00 ATOM 14 H31 BOC 1 13.810 -5.854 1.088 1.00 0.00 ATOM 15 H32 BOC 1 14.989 -5.223 -0.061 1.00 0.00 ATOM 16 H33 BOC 1 14.620 -6.947 -0.033 1.00 0.00 ATOM 17 N ASPH 2 12.404 -2.769 0.781 1.00 0.00 ATOM 18 HN ASPH 2 12.963 -2.260 0.158 1.00 0.00 ATOM 19 CA ASPH 2 11.757 -2.058 1.878 1.00 0.00 ATOM 20 HA ASPH 2 10.734 -2.398 1.936 1.00 0.00 ATOM 21 CB ASPH 2 12.462 -2.368 3.201 1.00 0.00 ATOM 22 HB1 ASPH 2 11.902 -1.926 4.011 1.00 0.00 ATOM 23 HB2 ASPH 2 13.454 -1.943 3.181 1.00 0.00 ATOM 24 CG ASPH 2 12.583 -3.858 3.455 1.00 0.00 ATOM 25 OD1 ASPH 2 13.716 -4.380 3.394 1.00 0.00 ATOM 26 OD2 ASPH 2 11.545 -4.502 3.716 1.00 0.00 ATOM 27 HD ASPH 2 13.709 -5.096 3.794 1.00 0.00 ATOM 28 C ASPH 2 11.762 -0.551 1.628 1.00 0.00 ATOM 29 O ASPH 2 12.605 0.172 2.158 1.00 0.00 ATOM 30 N DPRO 3 10.814 -0.057 0.813 1.00 0.00 ATOM 31 CA DPRO 3 10.717 1.368 0.500 1.00 0.00 ATOM 32 HA DPRO 3 10.576 1.959 1.400 1.00 0.00 ATOM 33 CB DPRO 3 9.467 1.472 -0.371 1.00 0.00 ATOM 34 HB1 DPRO 3 9.618 2.219 -1.135 1.00 0.00 ATOM 35 HB2 DPRO 3 8.620 1.741 0.241 1.00 0.00 ATOM 36 CG DPRO 3 9.304 0.115 -0.964 1.00 0.00 ATOM 37 HG1 DPRO 3 9.888 0.037 -1.869 1.00 0.00 ATOM 38 HG2 DPRO 3 8.262 -0.074 -1.169 1.00 0.00 ATOM 39 CD DPRO 3 9.816 -0.850 0.070 1.00 0.00 ATOM 40 HD1 DPRO 3 10.277 -1.703 -0.404 1.00 0.00 ATOM 41 HD2 DPRO 3 9.013 -1.167 0.720 1.00 0.00 ATOM 42 C DPRO 3 11.937 1.859 -0.279 1.00 0.00 ATOM 43 O DPRO 3 12.127 1.495 -1.439 1.00 0.00 ATOM 44 N THRB 4 12.630 2.843 0.287 1.00 0.00 ATOM 45 HN THRB 4 12.337 3.198 1.152 1.00 0.00 ATOM 46 CA THRB 4 13.817 3.405 -0.348 1.00 0.00 ATOM 47 HA THRB 4 13.768 3.175 -1.402 1.00 0.00 ATOM 48 CB THRB 4 13.842 4.925 -0.172 1.00 0.00 ATOM 49 HB THRB 4 14.867 5.261 -0.151 1.00 0.00 ATOM 50 OG1 THRB 4 13.239 5.158 1.105 1.00 0.00 ATOM 51 CG2 THRB 4 13.140 5.675 -1.282 1.00 0.00 ATOM 52 HG21 THRB 4 13.480 5.306 -2.238 1.00 0.00 ATOM 53 HG22 THRB 4 13.363 6.729 -1.202 1.00 0.00 ATOM 54 HG23 THRB 4 12.073 5.526 -1.198 1.00 0.00 ATOM 55 C THRB 4 15.090 2.792 0.231 1.00 0.00 ATOM 56 O THRB 4 16.109 3.471 0.354 1.00 0.00 ATOM 57 CD THRB 4 14.071 4.895 2.239 1.00 0.00 ATOM 58 HD1 THRB 4 13.680 4.044 2.782 1.00 0.00 ATOM 59 HD2 THRB 4 15.075 4.678 1.913 1.00 0.00 ATOM 60 CE THRB 4 14.131 6.072 3.172 1.00 0.00 ATOM 61 CZ1 THRB 4 15.163 6.992 3.078 1.00 0.00 ATOM 62 HZ1 THRB 4 15.927 6.858 2.327 1.00 0.00 ATOM 63 CZ2 THRB 4 13.157 6.258 4.139 1.00 0.00 ATOM 64 HZ2 THRB 4 12.349 5.546 4.220 1.00 0.00 ATOM 65 CH1 THRB 4 15.222 8.077 3.934 1.00 0.00 ATOM 66 HH1 THRB 4 16.032 8.787 3.852 1.00 0.00 ATOM 67 CH2 THRB 4 13.211 7.339 4.998 1.00 0.00 ATOM 68 HH2 THRB 4 12.445 7.472 5.748 1.00 0.00 ATOM 69 CTH THRB 4 14.244 8.250 4.895 1.00 0.00 ATOM 70 HTH THRB 4 14.289 9.096 5.564 1.00 0.00 ATOM 71 N ASNT 5 14.962 1.585 0.775 1.00 0.00 ATOM 72 HN ASNT 5 14.084 1.152 0.782 1.00 0.00 ATOM 73 CA ASNT 5 16.102 0.888 1.361 1.00 0.00 ATOM 74 HA ASNT 5 16.887 1.611 1.519 1.00 0.00 ATOM 75 CB ASNT 5 15.713 0.274 2.707 1.00 0.00 ATOM 76 HB1 ASNT 5 16.534 -0.326 3.073 1.00 0.00 ATOM 77 HB2 ASNT 5 14.845 -0.354 2.572 1.00 0.00 ATOM 78 CG ASNT 5 15.386 1.326 3.750 1.00 0.00 ATOM 79 OD1 ASNT 5 15.197 2.503 3.445 1.00 0.00 ATOM 80 ND2 ASNT 5 15.311 0.862 4.994 1.00 0.00 ATOM 81 HD1 ASNT 5 15.460 -0.096 5.142 1.00 0.00 ATOM 82 CQ ASNT 5 15.020 1.642 6.234 1.00 0.00 ATOM 83 CG1 ASNT 5 13.727 2.437 5.946 1.00 0.00 ATOM 84 CD11 ASNT 5 12.784 1.955 5.050 1.00 0.00 ATOM 85 HD11 ASNT 5 13.002 1.063 4.480 1.00 0.00 ATOM 86 CD12 ASNT 5 13.435 3.582 6.670 1.00 0.00 ATOM 87 HD12 ASNT 5 14.162 3.965 7.371 1.00 0.00 ATOM 88 CE11 ASNT 5 11.576 2.603 4.879 1.00 0.00 ATOM 89 HE11 ASNT 5 10.851 2.219 4.178 1.00 0.00 ATOM 90 CE12 ASNT 5 12.229 4.235 6.504 1.00 0.00 ATOM 91 HE12 ASNT 5 11.984 5.083 7.125 1.00 0.00 ATOM 92 CZ1 ASNT 5 11.299 3.746 5.607 1.00 0.00 ATOM 93 HZ1 ASNT 5 10.355 4.253 5.475 1.00 0.00 ATOM 94 CG2 ASNT 5 16.258 2.545 6.438 1.00 0.00 ATOM 95 CD21 ASNT 5 17.388 2.056 7.078 1.00 0.00 ATOM 96 HD21 ASNT 5 17.364 1.069 7.515 1.00 0.00 ATOM 97 CD22 ASNT 5 16.306 3.815 5.881 1.00 0.00 ATOM 98 HD22 ASNT 5 15.434 4.206 5.379 1.00 0.00 ATOM 99 CE21 ASNT 5 18.538 2.817 7.161 1.00 0.00 ATOM 100 HE21 ASNT 5 19.410 2.425 7.662 1.00 0.00 ATOM 101 CE22 ASNT 5 17.454 4.580 5.962 1.00 0.00 ATOM 102 HE22 ASNT 5 17.456 5.591 5.582 1.00 0.00 ATOM 103 CZ2 ASNT 5 18.571 4.081 6.603 1.00 0.00 ATOM 104 HZ2 ASNT 5 19.470 4.676 6.668 1.00 0.00 ATOM 105 CG3 ASNT 5 14.827 0.613 7.374 1.00 0.00 ATOM 106 CD31 ASNT 5 15.175 0.935 8.678 1.00 0.00 ATOM 107 HD31 ASNT 5 15.670 1.873 8.878 1.00 0.00 ATOM 108 CD32 ASNT 5 14.191 -0.594 7.132 1.00 0.00 ATOM 109 HD32 ASNT 5 13.914 -0.854 6.121 1.00 0.00 ATOM 110 CE31 ASNT 5 14.897 0.067 9.717 1.00 0.00 ATOM 111 HE31 ASNT 5 15.175 0.328 10.728 1.00 0.00 ATOM 112 CE32 ASNT 5 13.911 -1.466 8.168 1.00 0.00 ATOM 113 HE32 ASNT 5 13.487 -2.437 7.957 1.00 0.00 ATOM 114 CZ3 ASNT 5 14.265 -1.134 9.461 1.00 0.00 ATOM 115 HZ3 ASNT 5 14.047 -1.813 10.273 1.00 0.00 ATOM 116 C ASNT 5 16.615 -0.199 0.422 1.00 0.00 ATOM 117 O ASNT 5 17.822 -0.333 0.222 1.00 0.00 ATOM 118 N TYRT 6 15.717 -1.094 0.025 1.00 0.00 ATOM 119 HN TYRT 6 14.794 -1.019 0.343 1.00 0.00 ATOM 120 CA TYRT 6 16.072 -2.185 -0.875 1.00 0.00 ATOM 121 HA TYRT 6 15.190 -2.788 -1.031 1.00 0.00 ATOM 122 CB TYRT 6 16.538 -1.631 -2.223 1.00 0.00 ATOM 123 HB1 TYRT 6 17.273 -2.300 -2.645 1.00 0.00 ATOM 124 HB2 TYRT 6 16.988 -0.661 -2.069 1.00 0.00 ATOM 125 CG TYRT 6 15.422 -1.468 -3.231 1.00 0.00 ATOM 126 CD1 TYRT 6 14.174 -0.988 -2.845 1.00 0.00 ATOM 127 HD1 TYRT 6 14.008 -0.730 -1.810 1.00 0.00 ATOM 128 CD2 TYRT 6 15.617 -1.794 -4.570 1.00 0.00 ATOM 129 HD2 TYRT 6 16.580 -2.168 -4.884 1.00 0.00 ATOM 130 CE1 TYRT 6 13.153 -0.838 -3.763 1.00 0.00 ATOM 131 HE1 TYRT 6 12.191 -0.465 -3.447 1.00 0.00 ATOM 132 CE2 TYRT 6 14.600 -1.647 -5.493 1.00 0.00 ATOM 133 HE2 TYRT 6 14.767 -1.906 -6.529 1.00 0.00 ATOM 134 CZ TYRT 6 13.375 -1.170 -5.081 1.00 0.00 ATOM 135 O2 TYRT 6 12.402 -0.880 -6.032 1.00 0.00 ATOM 136 CQ TYRT 6 12.197 0.503 -6.482 1.00 0.00 ATOM 137 C1 TYRT 6 11.049 0.546 -7.489 1.00 0.00 ATOM 138 C2 TYRT 6 11.853 1.387 -5.285 1.00 0.00 ATOM 139 C3 TYRT 6 13.485 0.984 -7.136 1.00 0.00 ATOM 140 H11 TYRT 6 10.115 0.664 -6.961 1.00 0.00 ATOM 141 H12 TYRT 6 11.032 -0.374 -8.051 1.00 0.00 ATOM 142 H13 TYRT 6 11.185 1.378 -8.166 1.00 0.00 ATOM 143 H21 TYRT 6 11.561 2.365 -5.635 1.00 0.00 ATOM 144 H22 TYRT 6 12.718 1.476 -4.646 1.00 0.00 ATOM 145 H23 TYRT 6 11.037 0.948 -4.726 1.00 0.00 ATOM 146 H31 TYRT 6 14.237 1.129 -6.376 1.00 0.00 ATOM 147 H32 TYRT 6 13.299 1.916 -7.646 1.00 0.00 ATOM 148 H33 TYRT 6 13.832 0.247 -7.848 1.00 0.00 ATOM 149 C TYRT 6 17.164 -3.061 -0.268 1.00 0.00 ATOM 150 O TYRT 6 17.982 -3.637 -0.986 1.00 0.00 ATOM 151 N GLY 7 17.172 -3.155 1.058 1.00 0.00 ATOM 152 HN GLY 7 16.496 -2.673 1.578 1.00 0.00 ATOM 153 CA GLY 7 18.168 -3.961 1.738 1.00 0.00 ATOM 154 HA1 GLY 7 19.149 -3.574 1.505 1.00 0.00 ATOM 155 HA2 GLY 7 18.099 -4.977 1.378 1.00 0.00 ATOM 156 C GLY 7 17.987 -3.962 3.243 1.00 0.00 ATOM 157 O GLY 7 18.842 -4.428 3.996 1.00 0.00 ATOM 158 O2 OME 8 16.762 -3.512 3.594 1.00 0.00 ATOM 159 C1 OME 8 16.462 -3.540 4.981 1.00 0.00 ATOM 160 H1 OME 8 17.238 -3.032 5.531 1.00 0.00 ATOM 161 H2 OME 8 16.401 -4.561 5.318 1.00 0.00 ATOM 162 H3 OME 8 15.518 -3.051 5.177 1.00 0.00 END REMARK FILENAME="accept_10.pdb" REMARK =============================================================== REMARK DATE:17-Sep-2013 08:34:01 created by user: PAL REMARK VERSION:1.21 ATOM 1 O BOC 1 9.942 -4.213 0.576 1.00 0.00 ATOM 2 C BOC 1 11.108 -3.940 0.294 1.00 0.00 ATOM 3 O2 BOC 1 11.832 -4.485 -0.711 1.00 0.00 ATOM 4 CQ BOC 1 11.581 -4.106 -2.109 1.00 0.00 ATOM 5 C1 BOC 1 12.495 -4.915 -3.028 1.00 0.00 ATOM 6 C2 BOC 1 10.123 -4.393 -2.466 1.00 0.00 ATOM 7 C3 BOC 1 11.875 -2.619 -2.257 1.00 0.00 ATOM 8 H11 BOC 1 12.094 -5.910 -3.143 1.00 0.00 ATOM 9 H12 BOC 1 13.481 -4.970 -2.592 1.00 0.00 ATOM 10 H13 BOC 1 12.557 -4.438 -3.997 1.00 0.00 ATOM 11 H21 BOC 1 9.818 -5.318 -2.003 1.00 0.00 ATOM 12 H22 BOC 1 10.027 -4.476 -3.537 1.00 0.00 ATOM 13 H23 BOC 1 9.492 -3.590 -2.111 1.00 0.00 ATOM 14 H31 BOC 1 12.929 -2.481 -2.433 1.00 0.00 ATOM 15 H32 BOC 1 11.590 -2.108 -1.350 1.00 0.00 ATOM 16 H33 BOC 1 11.315 -2.215 -3.088 1.00 0.00 ATOM 17 N ASPH 2 11.835 -3.053 0.965 1.00 0.00 ATOM 18 HN ASPH 2 12.732 -2.836 0.634 1.00 0.00 ATOM 19 CA ASPH 2 11.221 -2.167 1.948 1.00 0.00 ATOM 20 HA ASPH 2 10.151 -2.278 1.872 1.00 0.00 ATOM 21 CB ASPH 2 11.660 -2.558 3.360 1.00 0.00 ATOM 22 HB1 ASPH 2 12.493 -1.938 3.656 1.00 0.00 ATOM 23 HB2 ASPH 2 11.969 -3.593 3.361 1.00 0.00 ATOM 24 CG ASPH 2 10.549 -2.389 4.378 1.00 0.00 ATOM 25 OD1 ASPH 2 10.631 -3.017 5.455 1.00 0.00 ATOM 26 OD2 ASPH 2 9.599 -1.630 4.098 1.00 0.00 ATOM 27 HD ASPH 2 10.475 -3.810 5.321 1.00 0.00 ATOM 28 C ASPH 2 11.592 -0.711 1.674 1.00 0.00 ATOM 29 O ASPH 2 12.716 -0.289 1.947 1.00 0.00 ATOM 30 N DPRO 3 10.652 0.083 1.128 1.00 0.00 ATOM 31 CA DPRO 3 10.906 1.491 0.826 1.00 0.00 ATOM 32 HA DPRO 3 11.079 2.062 1.732 1.00 0.00 ATOM 33 CB DPRO 3 9.615 1.968 0.167 1.00 0.00 ATOM 34 HB1 DPRO 3 9.713 1.915 -0.907 1.00 0.00 ATOM 35 HB2 DPRO 3 9.411 2.987 0.464 1.00 0.00 ATOM 36 CG DPRO 3 8.568 1.035 0.663 1.00 0.00 ATOM 37 HG1 DPRO 3 7.776 0.950 -0.066 1.00 0.00 ATOM 38 HG2 DPRO 3 8.175 1.389 1.605 1.00 0.00 ATOM 39 CD DPRO 3 9.252 -0.291 0.848 1.00 0.00 ATOM 40 HD1 DPRO 3 9.183 -0.880 -0.054 1.00 0.00 ATOM 41 HD2 DPRO 3 8.820 -0.824 1.683 1.00 0.00 ATOM 42 C DPRO 3 12.077 1.657 -0.144 1.00 0.00 ATOM 43 O DPRO 3 12.152 0.964 -1.158 1.00 0.00 ATOM 44 N THRB 4 12.855 2.715 0.062 1.00 0.00 ATOM 45 HN THRB 4 12.651 3.322 0.804 1.00 0.00 ATOM 46 CA THRB 4 14.008 2.992 -0.788 1.00 0.00 ATOM 47 HA THRB 4 13.898 2.414 -1.693 1.00 0.00 ATOM 48 CB THRB 4 14.052 4.480 -1.152 1.00 0.00 ATOM 49 HB THRB 4 15.081 4.796 -1.221 1.00 0.00 ATOM 50 OG1 THRB 4 13.425 5.147 -0.052 1.00 0.00 ATOM 51 CG2 THRB 4 13.385 4.802 -2.470 1.00 0.00 ATOM 52 HG21 THRB 4 13.455 3.948 -3.127 1.00 0.00 ATOM 53 HG22 THRB 4 13.877 5.648 -2.926 1.00 0.00 ATOM 54 HG23 THRB 4 12.346 5.039 -2.299 1.00 0.00 ATOM 55 C THRB 4 15.305 2.581 -0.096 1.00 0.00 ATOM 56 O THRB 4 16.298 3.306 -0.144 1.00 0.00 ATOM 57 CD THRB 4 14.290 5.489 1.033 1.00 0.00 ATOM 58 HD1 THRB 4 14.951 4.658 1.243 1.00 0.00 ATOM 59 HD2 THRB 4 14.877 6.353 0.770 1.00 0.00 ATOM 60 CE THRB 4 13.518 5.816 2.281 1.00 0.00 ATOM 61 CZ1 THRB 4 12.183 5.464 2.397 1.00 0.00 ATOM 62 HZ1 THRB 4 11.698 4.949 1.582 1.00 0.00 ATOM 63 CZ2 THRB 4 14.128 6.476 3.336 1.00 0.00 ATOM 64 HZ2 THRB 4 15.168 6.755 3.256 1.00 0.00 ATOM 65 CH1 THRB 4 11.470 5.764 3.543 1.00 0.00 ATOM 66 HH1 THRB 4 10.429 5.484 3.620 1.00 0.00 ATOM 67 CH2 THRB 4 13.420 6.779 4.484 1.00 0.00 ATOM 68 HH2 THRB 4 13.906 7.294 5.298 1.00 0.00 ATOM 69 CTH THRB 4 12.089 6.423 4.587 1.00 0.00 ATOM 70 HTH THRB 4 11.534 6.658 5.484 1.00 0.00 ATOM 71 N ASNT 5 15.221 1.531 0.715 1.00 0.00 ATOM 72 HN ASNT 5 14.358 1.083 0.829 1.00 0.00 ATOM 73 CA ASNT 5 16.384 1.030 1.438 1.00 0.00 ATOM 74 HA ASNT 5 17.051 1.861 1.609 1.00 0.00 ATOM 75 CB ASNT 5 15.960 0.448 2.788 1.00 0.00 ATOM 76 HB1 ASNT 5 15.556 -0.543 2.636 1.00 0.00 ATOM 77 HB2 ASNT 5 15.198 1.079 3.222 1.00 0.00 ATOM 78 CG ASNT 5 17.115 0.351 3.765 1.00 0.00 ATOM 79 OD1 ASNT 5 17.804 -0.666 3.855 1.00 0.00 ATOM 80 ND2 ASNT 5 17.319 1.450 4.487 1.00 0.00 ATOM 81 HD1 ASNT 5 16.730 2.219 4.336 1.00 0.00 ATOM 82 CQ ASNT 5 18.376 1.671 5.518 1.00 0.00 ATOM 83 CG1 ASNT 5 19.701 1.735 4.725 1.00 0.00 ATOM 84 CD11 ASNT 5 20.432 0.582 4.478 1.00 0.00 ATOM 85 HD11 ASNT 5 20.119 -0.350 4.923 1.00 0.00 ATOM 86 CD12 ASNT 5 20.115 2.924 4.144 1.00 0.00 ATOM 87 HD12 ASNT 5 19.553 3.828 4.327 1.00 0.00 ATOM 88 CE11 ASNT 5 21.553 0.617 3.671 1.00 0.00 ATOM 89 HE11 ASNT 5 22.114 -0.288 3.487 1.00 0.00 ATOM 90 CE12 ASNT 5 21.236 2.964 3.336 1.00 0.00 ATOM 91 HE12 ASNT 5 21.605 3.911 2.973 1.00 0.00 ATOM 92 CZ1 ASNT 5 21.956 1.808 3.100 1.00 0.00 ATOM 93 HZ1 ASNT 5 22.832 1.836 2.469 1.00 0.00 ATOM 94 CG2 ASNT 5 18.297 0.463 6.477 1.00 0.00 ATOM 95 CD21 ASNT 5 19.400 0.098 7.234 1.00 0.00 ATOM 96 HD21 ASNT 5 20.341 0.606 7.080 1.00 0.00 ATOM 97 CD22 ASNT 5 17.096 -0.198 6.687 1.00 0.00 ATOM 98 HD22 ASNT 5 16.231 0.079 6.104 1.00 0.00 ATOM 99 CE21 ASNT 5 19.307 -0.907 8.179 1.00 0.00 ATOM 100 HE21 ASNT 5 20.173 -1.182 8.761 1.00 0.00 ATOM 101 CE22 ASNT 5 16.997 -1.203 7.629 1.00 0.00 ATOM 102 HE22 ASNT 5 16.039 -1.656 7.837 1.00 0.00 ATOM 103 CZ2 ASNT 5 18.105 -1.558 8.376 1.00 0.00 ATOM 104 HZ2 ASNT 5 18.030 -2.343 9.114 1.00 0.00 ATOM 105 CG3 ASNT 5 18.033 3.002 6.232 1.00 0.00 ATOM 106 CD31 ASNT 5 16.713 3.354 6.469 1.00 0.00 ATOM 107 HD31 ASNT 5 15.920 2.740 6.069 1.00 0.00 ATOM 108 CD32 ASNT 5 19.041 3.798 6.753 1.00 0.00 ATOM 109 HD32 ASNT 5 20.073 3.532 6.575 1.00 0.00 ATOM 110 CE31 ASNT 5 16.405 4.480 7.209 1.00 0.00 ATOM 111 HE31 ASNT 5 15.373 4.745 7.385 1.00 0.00 ATOM 112 CE32 ASNT 5 18.739 4.927 7.493 1.00 0.00 ATOM 113 HE32 ASNT 5 19.530 5.490 7.965 1.00 0.00 ATOM 114 CZ3 ASNT 5 17.418 5.267 7.721 1.00 0.00 ATOM 115 HZ3 ASNT 5 17.179 6.148 8.299 1.00 0.00 ATOM 116 C ASNT 5 17.119 -0.030 0.623 1.00 0.00 ATOM 117 O ASNT 5 18.286 -0.321 0.885 1.00 0.00 ATOM 118 N TYRT 6 16.370 -0.746 -0.211 1.00 0.00 ATOM 119 HN TYRT 6 15.408 -0.568 -0.264 1.00 0.00 ATOM 120 CA TYRT 6 16.946 -1.791 -1.049 1.00 0.00 ATOM 121 HA TYRT 6 16.152 -2.209 -1.649 1.00 0.00 ATOM 122 CB TYRT 6 18.010 -1.200 -1.978 1.00 0.00 ATOM 123 HB1 TYRT 6 18.842 -1.887 -2.046 1.00 0.00 ATOM 124 HB2 TYRT 6 18.358 -0.265 -1.565 1.00 0.00 ATOM 125 CG TYRT 6 17.512 -0.932 -3.379 1.00 0.00 ATOM 126 CD1 TYRT 6 17.995 -1.662 -4.460 1.00 0.00 ATOM 127 HD1 TYRT 6 18.734 -2.428 -4.287 1.00 0.00 ATOM 128 CD2 TYRT 6 16.558 0.052 -3.622 1.00 0.00 ATOM 129 HD2 TYRT 6 16.174 0.627 -2.792 1.00 0.00 ATOM 130 CE1 TYRT 6 17.541 -1.419 -5.742 1.00 0.00 ATOM 131 HE1 TYRT 6 17.926 -1.995 -6.571 1.00 0.00 ATOM 132 CE2 TYRT 6 16.100 0.300 -4.902 1.00 0.00 ATOM 133 HE2 TYRT 6 15.360 1.068 -5.073 1.00 0.00 ATOM 134 CZ TYRT 6 16.597 -0.439 -5.952 1.00 0.00 ATOM 135 O2 TYRT 6 16.032 -0.296 -7.214 1.00 0.00 ATOM 136 CQ TYRT 6 16.802 0.326 -8.299 1.00 0.00 ATOM 137 C1 TYRT 6 17.182 1.752 -7.905 1.00 0.00 ATOM 138 C2 TYRT 6 18.072 -0.486 -8.555 1.00 0.00 ATOM 139 C3 TYRT 6 15.930 0.342 -9.546 1.00 0.00 ATOM 140 H11 TYRT 6 18.148 1.743 -7.422 1.00 0.00 ATOM 141 H12 TYRT 6 16.442 2.144 -7.225 1.00 0.00 ATOM 142 H13 TYRT 6 17.228 2.377 -8.787 1.00 0.00 ATOM 143 H21 TYRT 6 17.818 -1.532 -8.619 1.00 0.00 ATOM 144 H22 TYRT 6 18.763 -0.331 -7.742 1.00 0.00 ATOM 145 H23 TYRT 6 18.528 -0.169 -9.482 1.00 0.00 ATOM 146 H31 TYRT 6 15.383 1.271 -9.587 1.00 0.00 ATOM 147 H32 TYRT 6 15.236 -0.483 -9.507 1.00 0.00 ATOM 148 H33 TYRT 6 16.548 0.249 -10.428 1.00 0.00 ATOM 149 C TYRT 6 17.554 -2.900 -0.196 1.00 0.00 ATOM 150 O TYRT 6 18.513 -3.557 -0.603 1.00 0.00 ATOM 151 N GLY 7 16.990 -3.106 0.990 1.00 0.00 ATOM 152 HN GLY 7 16.227 -2.553 1.262 1.00 0.00 ATOM 153 CA GLY 7 17.489 -4.137 1.880 1.00 0.00 ATOM 154 HA1 GLY 7 18.548 -4.264 1.708 1.00 0.00 ATOM 155 HA2 GLY 7 16.985 -5.065 1.656 1.00 0.00 ATOM 156 C GLY 7 17.268 -3.800 3.341 1.00 0.00 ATOM 157 O GLY 7 16.447 -2.951 3.691 1.00 0.00 ATOM 158 O2 OME 8 18.147 -4.448 4.138 1.00 0.00 ATOM 159 C1 OME 8 18.073 -4.146 5.523 1.00 0.00 ATOM 160 H1 OME 8 17.234 -4.660 5.962 1.00 0.00 ATOM 161 H2 OME 8 17.947 -3.084 5.656 1.00 0.00 ATOM 162 H3 OME 8 18.978 -4.457 6.029 1.00 0.00 END