USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 250 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 HIS : no HE2:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 1 HIS N :NH3+ 144:sc= 0.0465 (180deg=0) USER MOD Single : A 2 SER OG : rot 9:sc= 0.379 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00549 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -2.512 -12.292 -1.778 1.00 0.00 N ATOM 2 CA HIS A 1 -3.419 -11.755 -2.838 1.00 0.00 C ATOM 3 C HIS A 1 -4.608 -12.700 -3.052 1.00 0.00 C ATOM 4 O HIS A 1 -4.513 -13.887 -2.799 1.00 0.00 O ATOM 5 CB HIS A 1 -2.560 -11.682 -4.105 1.00 0.00 C ATOM 6 CG HIS A 1 -1.934 -10.318 -4.213 1.00 0.00 C ATOM 7 ND1 HIS A 1 -0.582 -10.104 -3.987 1.00 0.00 N ATOM 8 CD2 HIS A 1 -2.461 -9.088 -4.521 1.00 0.00 C ATOM 9 CE1 HIS A 1 -0.346 -8.791 -4.161 1.00 0.00 C ATOM 10 NE2 HIS A 1 -1.457 -8.126 -4.488 1.00 0.00 N ATOM 0 H1 HIS A 1 -1.525 -12.076 -2.023 1.00 0.00 H new ATOM 0 H2 HIS A 1 -2.746 -11.852 -0.865 1.00 0.00 H new ATOM 0 H3 HIS A 1 -2.633 -13.322 -1.707 1.00 0.00 H new ATOM 0 HA HIS A 1 -3.830 -10.782 -2.568 1.00 0.00 H new ATOM 0 HB2 HIS A 1 -1.785 -12.448 -4.075 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -3.173 -11.883 -4.984 1.00 0.00 H new ATOM 0 HD1 HIS A 1 0.107 -10.813 -3.735 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -3.498 -8.897 -4.754 1.00 0.00 H new ATOM 0 HE1 HIS A 1 0.625 -8.330 -4.050 1.00 0.00 H new ATOM 17 N SER A 2 -5.722 -12.169 -3.516 1.00 0.00 N ATOM 18 CA SER A 2 -6.952 -12.999 -3.765 1.00 0.00 C ATOM 19 C SER A 2 -7.164 -14.037 -2.650 1.00 0.00 C ATOM 20 O SER A 2 -7.250 -15.226 -2.900 1.00 0.00 O ATOM 21 CB SER A 2 -6.725 -13.677 -5.125 1.00 0.00 C ATOM 22 OG SER A 2 -5.630 -14.581 -5.044 1.00 0.00 O ATOM 0 H SER A 2 -5.831 -11.179 -3.736 1.00 0.00 H new ATOM 0 HA SER A 2 -7.852 -12.385 -3.771 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.626 -14.211 -5.429 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.529 -12.923 -5.888 1.00 0.00 H new ATOM 0 HG SER A 2 -5.353 -14.676 -4.109 1.00 0.00 H new ATOM 28 N VAL A 3 -7.255 -13.589 -1.423 1.00 0.00 N ATOM 29 CA VAL A 3 -7.466 -14.542 -0.282 1.00 0.00 C ATOM 30 C VAL A 3 -8.958 -14.631 0.088 1.00 0.00 C ATOM 31 O VAL A 3 -9.302 -14.862 1.232 1.00 0.00 O ATOM 32 CB VAL A 3 -6.653 -13.973 0.890 1.00 0.00 C ATOM 33 CG1 VAL A 3 -5.165 -13.967 0.533 1.00 0.00 C ATOM 34 CG2 VAL A 3 -7.108 -12.541 1.207 1.00 0.00 C ATOM 0 H VAL A 3 -7.193 -12.606 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.147 -15.552 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.816 -14.601 1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.592 -13.562 1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.836 -14.986 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.005 -13.349 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.524 -12.149 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.959 -11.910 0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.164 -12.546 1.476 1.00 0.00 H new ATOM 44 N SER A 4 -9.834 -14.439 -0.877 1.00 0.00 N ATOM 45 CA SER A 4 -11.319 -14.494 -0.638 1.00 0.00 C ATOM 46 C SER A 4 -11.805 -13.215 0.046 1.00 0.00 C ATOM 47 O SER A 4 -12.757 -12.593 -0.387 1.00 0.00 O ATOM 48 CB SER A 4 -11.581 -15.721 0.244 1.00 0.00 C ATOM 49 OG SER A 4 -12.913 -16.172 0.031 1.00 0.00 O ATOM 0 H SER A 4 -9.575 -14.242 -1.844 1.00 0.00 H new ATOM 0 HA SER A 4 -11.862 -14.573 -1.580 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.873 -16.514 0.005 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.433 -15.468 1.294 1.00 0.00 H new ATOM 0 HG SER A 4 -13.086 -16.957 0.591 1.00 0.00 H new ATOM 55 N HIS A 5 -11.147 -12.817 1.094 1.00 0.00 N ATOM 56 CA HIS A 5 -11.548 -11.569 1.817 1.00 0.00 C ATOM 57 C HIS A 5 -10.720 -10.372 1.324 1.00 0.00 C ATOM 58 O HIS A 5 -10.464 -9.438 2.061 1.00 0.00 O ATOM 59 CB HIS A 5 -11.257 -11.858 3.291 1.00 0.00 C ATOM 60 CG HIS A 5 -12.236 -11.108 4.155 1.00 0.00 C ATOM 61 ND1 HIS A 5 -13.354 -11.714 4.707 1.00 0.00 N ATOM 62 CD2 HIS A 5 -12.278 -9.799 4.569 1.00 0.00 C ATOM 63 CE1 HIS A 5 -14.014 -10.779 5.415 1.00 0.00 C ATOM 64 NE2 HIS A 5 -13.401 -9.594 5.364 1.00 0.00 N ATOM 0 H HIS A 5 -10.341 -13.302 1.489 1.00 0.00 H new ATOM 0 HA HIS A 5 -12.594 -11.313 1.649 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -11.332 -12.928 3.484 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -10.238 -11.560 3.536 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -11.549 -9.043 4.316 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -14.929 -10.965 5.959 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -13.693 -8.725 5.812 1.00 0.00 H new ATOM 72 N ALA A 6 -10.305 -10.394 0.079 1.00 0.00 N ATOM 73 CA ALA A 6 -9.499 -9.259 -0.467 1.00 0.00 C ATOM 74 C ALA A 6 -10.381 -8.323 -1.312 1.00 0.00 C ATOM 75 O ALA A 6 -9.902 -7.637 -2.194 1.00 0.00 O ATOM 76 CB ALA A 6 -8.425 -9.918 -1.337 1.00 0.00 C ATOM 0 H ALA A 6 -10.490 -11.149 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.067 -8.647 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.790 -9.149 -1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.818 -10.584 -0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.902 -10.491 -2.132 1.00 0.00 H new ATOM 82 N ARG A 7 -11.666 -8.281 -1.041 1.00 0.00 N ATOM 83 CA ARG A 7 -12.575 -7.382 -1.821 1.00 0.00 C ATOM 84 C ARG A 7 -12.396 -5.915 -1.383 1.00 0.00 C ATOM 85 O ARG A 7 -12.229 -5.049 -2.221 1.00 0.00 O ATOM 86 CB ARG A 7 -13.997 -7.870 -1.520 1.00 0.00 C ATOM 87 CG ARG A 7 -14.468 -8.803 -2.640 1.00 0.00 C ATOM 88 CD ARG A 7 -14.079 -10.247 -2.303 1.00 0.00 C ATOM 89 NE ARG A 7 -13.167 -10.672 -3.404 1.00 0.00 N ATOM 90 CZ ARG A 7 -13.431 -11.749 -4.093 1.00 0.00 C ATOM 91 NH1 ARG A 7 -13.241 -12.927 -3.558 1.00 0.00 N ATOM 92 NH2 ARG A 7 -13.885 -11.647 -5.315 1.00 0.00 N ATOM 0 H ARG A 7 -12.123 -8.831 -0.313 1.00 0.00 H new ATOM 0 HA ARG A 7 -12.357 -7.417 -2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -14.018 -8.393 -0.564 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.673 -7.020 -1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.548 -8.726 -2.762 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -14.019 -8.506 -3.588 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -13.582 -10.305 -1.335 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -14.958 -10.890 -2.249 1.00 0.00 H new ATOM 0 HE ARG A 7 -12.336 -10.121 -3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -12.887 -13.003 -2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -13.447 -13.770 -4.094 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -14.033 -10.727 -5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -14.092 -12.488 -5.854 1.00 0.00 H new ATOM 106 N PRO A 8 -12.436 -5.675 -0.084 1.00 0.00 N ATOM 107 CA PRO A 8 -12.268 -4.290 0.432 1.00 0.00 C ATOM 108 C PRO A 8 -10.799 -3.848 0.316 1.00 0.00 C ATOM 109 O PRO A 8 -10.003 -4.486 -0.351 1.00 0.00 O ATOM 110 CB PRO A 8 -12.706 -4.394 1.893 1.00 0.00 C ATOM 111 CG PRO A 8 -12.496 -5.827 2.265 1.00 0.00 C ATOM 112 CD PRO A 8 -12.639 -6.643 1.007 1.00 0.00 C ATOM 0 HA PRO A 8 -12.845 -3.550 -0.122 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.118 -3.732 2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.750 -4.105 2.012 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.509 -5.969 2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.226 -6.141 3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.902 -7.445 0.968 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.622 -7.110 0.946 1.00 0.00 H new ATOM 120 N ARG A 9 -10.440 -2.754 0.956 1.00 0.00 N ATOM 121 CA ARG A 9 -9.028 -2.242 0.890 1.00 0.00 C ATOM 122 C ARG A 9 -8.675 -1.816 -0.545 1.00 0.00 C ATOM 123 O ARG A 9 -7.537 -1.908 -0.970 1.00 0.00 O ATOM 124 CB ARG A 9 -8.143 -3.408 1.348 1.00 0.00 C ATOM 125 CG ARG A 9 -6.920 -2.864 2.094 1.00 0.00 C ATOM 126 CD ARG A 9 -5.751 -3.847 1.954 1.00 0.00 C ATOM 127 NE ARG A 9 -5.713 -4.595 3.244 1.00 0.00 N ATOM 128 CZ ARG A 9 -5.835 -5.896 3.251 1.00 0.00 C ATOM 129 NH1 ARG A 9 -7.024 -6.440 3.245 1.00 0.00 N ATOM 130 NH2 ARG A 9 -4.767 -6.651 3.259 1.00 0.00 N ATOM 0 H ARG A 9 -11.071 -2.190 1.526 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.887 -1.364 1.520 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.710 -4.075 1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.824 -3.996 0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.640 -1.891 1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.160 -2.717 3.147 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.903 -4.522 1.112 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.813 -3.321 1.776 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.592 -4.090 4.122 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.855 -5.849 3.235 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.120 -7.455 3.250 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.841 -6.224 3.260 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.860 -7.667 3.264 1.00 0.00 H new ATOM 144 N TRP A 10 -9.645 -1.341 -1.288 1.00 0.00 N ATOM 145 CA TRP A 10 -9.380 -0.900 -2.695 1.00 0.00 C ATOM 146 C TRP A 10 -8.659 0.454 -2.705 1.00 0.00 C ATOM 147 O TRP A 10 -7.674 0.637 -3.396 1.00 0.00 O ATOM 148 CB TRP A 10 -10.764 -0.772 -3.342 1.00 0.00 C ATOM 149 CG TRP A 10 -10.852 -1.684 -4.522 1.00 0.00 C ATOM 150 CD1 TRP A 10 -11.559 -2.838 -4.560 1.00 0.00 C ATOM 151 CD2 TRP A 10 -10.228 -1.541 -5.830 1.00 0.00 C ATOM 152 NE1 TRP A 10 -11.408 -3.411 -5.810 1.00 0.00 N ATOM 153 CE2 TRP A 10 -10.596 -2.650 -6.628 1.00 0.00 C ATOM 154 CE3 TRP A 10 -9.387 -0.567 -6.395 1.00 0.00 C ATOM 155 CZ2 TRP A 10 -10.146 -2.787 -7.941 1.00 0.00 C ATOM 156 CZ3 TRP A 10 -8.930 -0.701 -7.717 1.00 0.00 C ATOM 157 CH2 TRP A 10 -9.309 -1.809 -8.488 1.00 0.00 C ATOM 0 H TRP A 10 -10.612 -1.239 -0.980 1.00 0.00 H new ATOM 0 HA TRP A 10 -8.742 -1.603 -3.230 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -11.540 -1.022 -2.618 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -10.938 0.258 -3.652 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -12.144 -3.244 -3.748 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -11.843 -4.289 -6.093 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -9.090 0.290 -5.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.442 -3.642 -8.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.284 0.053 -8.141 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -8.955 -1.907 -9.504 1.00 0.00 H new ATOM 168 N PHE A 11 -9.145 1.402 -1.941 1.00 0.00 N ATOM 169 CA PHE A 11 -8.494 2.748 -1.900 1.00 0.00 C ATOM 170 C PHE A 11 -7.192 2.697 -1.087 1.00 0.00 C ATOM 171 O PHE A 11 -6.280 3.464 -1.323 1.00 0.00 O ATOM 172 CB PHE A 11 -9.515 3.666 -1.221 1.00 0.00 C ATOM 173 CG PHE A 11 -9.143 5.110 -1.467 1.00 0.00 C ATOM 174 CD1 PHE A 11 -8.288 5.774 -0.579 1.00 0.00 C ATOM 175 CD2 PHE A 11 -9.652 5.783 -2.584 1.00 0.00 C ATOM 176 CE1 PHE A 11 -7.943 7.111 -0.808 1.00 0.00 C ATOM 177 CE2 PHE A 11 -9.307 7.121 -2.813 1.00 0.00 C ATOM 178 CZ PHE A 11 -8.452 7.784 -1.924 1.00 0.00 C ATOM 0 H PHE A 11 -9.965 1.301 -1.343 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.226 3.100 -2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.513 3.466 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.544 3.465 -0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.895 5.255 0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.311 5.270 -3.269 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.284 7.623 -0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.700 7.641 -3.674 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.185 8.816 -2.100 1.00 0.00 H new ATOM 188 N TRP A 12 -7.099 1.804 -0.129 1.00 0.00 N ATOM 189 CA TRP A 12 -5.854 1.719 0.699 1.00 0.00 C ATOM 190 C TRP A 12 -4.781 0.862 0.012 1.00 0.00 C ATOM 191 O TRP A 12 -3.696 0.693 0.534 1.00 0.00 O ATOM 192 CB TRP A 12 -6.292 1.079 2.019 1.00 0.00 C ATOM 193 CG TRP A 12 -7.089 2.066 2.813 1.00 0.00 C ATOM 194 CD1 TRP A 12 -8.431 2.219 2.737 1.00 0.00 C ATOM 195 CD2 TRP A 12 -6.619 3.037 3.793 1.00 0.00 C ATOM 196 NE1 TRP A 12 -8.814 3.224 3.607 1.00 0.00 N ATOM 197 CE2 TRP A 12 -7.734 3.758 4.281 1.00 0.00 C ATOM 198 CE3 TRP A 12 -5.347 3.359 4.300 1.00 0.00 C ATOM 199 CZ2 TRP A 12 -7.592 4.763 5.239 1.00 0.00 C ATOM 200 CZ3 TRP A 12 -5.201 4.370 5.264 1.00 0.00 C ATOM 201 CH2 TRP A 12 -6.321 5.070 5.733 1.00 0.00 C ATOM 0 H TRP A 12 -7.828 1.134 0.114 1.00 0.00 H new ATOM 0 HA TRP A 12 -5.406 2.702 0.847 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.888 0.188 1.823 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.419 0.759 2.588 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -9.094 1.650 2.102 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -9.778 3.533 3.735 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.477 2.826 3.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -8.458 5.300 5.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.220 4.609 5.646 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -6.202 5.846 6.475 1.00 0.00 H new ATOM 212 N PHE A 13 -5.063 0.333 -1.154 1.00 0.00 N ATOM 213 CA PHE A 13 -4.044 -0.498 -1.868 1.00 0.00 C ATOM 214 C PHE A 13 -2.842 0.366 -2.257 1.00 0.00 C ATOM 215 O PHE A 13 -1.704 -0.049 -2.143 1.00 0.00 O ATOM 216 CB PHE A 13 -4.753 -1.034 -3.113 1.00 0.00 C ATOM 217 CG PHE A 13 -4.142 -2.357 -3.505 1.00 0.00 C ATOM 218 CD1 PHE A 13 -3.025 -2.390 -4.347 1.00 0.00 C ATOM 219 CD2 PHE A 13 -4.692 -3.551 -3.023 1.00 0.00 C ATOM 220 CE1 PHE A 13 -2.458 -3.617 -4.709 1.00 0.00 C ATOM 221 CE2 PHE A 13 -4.125 -4.777 -3.384 1.00 0.00 C ATOM 222 CZ PHE A 13 -3.008 -4.811 -4.228 1.00 0.00 C ATOM 0 H PHE A 13 -5.953 0.441 -1.641 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.666 -1.309 -1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.818 -1.157 -2.915 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.662 -0.321 -3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.601 -1.469 -4.717 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.554 -3.525 -2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.596 -3.643 -5.359 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.549 -5.698 -3.012 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.571 -5.758 -4.508 1.00 0.00 H new ATOM 232 N SER A 14 -3.096 1.568 -2.696 1.00 0.00 N ATOM 233 CA SER A 14 -1.978 2.488 -3.077 1.00 0.00 C ATOM 234 C SER A 14 -1.140 2.808 -1.840 1.00 0.00 C ATOM 235 O SER A 14 0.071 2.910 -1.904 1.00 0.00 O ATOM 236 CB SER A 14 -2.651 3.753 -3.619 1.00 0.00 C ATOM 237 OG SER A 14 -3.641 3.393 -4.576 1.00 0.00 O ATOM 0 H SER A 14 -4.032 1.957 -2.809 1.00 0.00 H new ATOM 0 HA SER A 14 -1.312 2.048 -3.819 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.106 4.313 -2.803 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.907 4.405 -4.077 1.00 0.00 H new ATOM 0 HG SER A 14 -4.072 4.203 -4.921 1.00 0.00 H new ATOM 243 N LEU A 15 -1.788 2.942 -0.712 1.00 0.00 N ATOM 244 CA LEU A 15 -1.058 3.230 0.559 1.00 0.00 C ATOM 245 C LEU A 15 -0.144 2.046 0.899 1.00 0.00 C ATOM 246 O LEU A 15 0.993 2.223 1.293 1.00 0.00 O ATOM 247 CB LEU A 15 -2.154 3.395 1.619 1.00 0.00 C ATOM 248 CG LEU A 15 -1.525 3.752 2.970 1.00 0.00 C ATOM 249 CD1 LEU A 15 -2.233 4.975 3.557 1.00 0.00 C ATOM 250 CD2 LEU A 15 -1.673 2.568 3.929 1.00 0.00 C ATOM 0 H LEU A 15 -2.800 2.864 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.429 4.118 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.851 4.176 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.728 2.472 1.708 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.468 3.978 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.785 5.228 4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.129 5.818 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.290 4.751 3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.226 2.820 4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.730 2.343 4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.168 1.697 3.512 1.00 0.00 H new ATOM 262 N LEU A 16 -0.635 0.840 0.732 1.00 0.00 N ATOM 263 CA LEU A 16 0.200 -0.366 1.023 1.00 0.00 C ATOM 264 C LEU A 16 1.371 -0.437 0.039 1.00 0.00 C ATOM 265 O LEU A 16 2.477 -0.796 0.399 1.00 0.00 O ATOM 266 CB LEU A 16 -0.745 -1.561 0.844 1.00 0.00 C ATOM 267 CG LEU A 16 -0.261 -2.738 1.697 1.00 0.00 C ATOM 268 CD1 LEU A 16 -1.448 -3.643 2.036 1.00 0.00 C ATOM 269 CD2 LEU A 16 0.785 -3.542 0.919 1.00 0.00 C ATOM 0 H LEU A 16 -1.581 0.640 0.406 1.00 0.00 H new ATOM 0 HA LEU A 16 0.630 -0.346 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.758 -1.282 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.783 -1.852 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 16 0.184 -2.359 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.105 -4.481 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.193 -3.073 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.893 -4.020 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.128 -4.379 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.342 -3.921 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.631 -2.899 0.676 1.00 0.00 H new ATOM 281 N LEU A 17 1.134 -0.070 -1.190 1.00 0.00 N ATOM 282 CA LEU A 17 2.228 -0.079 -2.209 1.00 0.00 C ATOM 283 C LEU A 17 3.312 0.917 -1.795 1.00 0.00 C ATOM 284 O LEU A 17 4.494 0.685 -1.976 1.00 0.00 O ATOM 285 CB LEU A 17 1.565 0.355 -3.521 1.00 0.00 C ATOM 286 CG LEU A 17 2.430 -0.087 -4.705 1.00 0.00 C ATOM 287 CD1 LEU A 17 2.088 -1.531 -5.077 1.00 0.00 C ATOM 288 CD2 LEU A 17 2.158 0.826 -5.903 1.00 0.00 C ATOM 0 H LEU A 17 0.225 0.238 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 17 2.701 -1.056 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.571 -0.084 -3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.437 1.437 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 17 3.483 -0.023 -4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.704 -1.845 -5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.281 -2.182 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.035 -1.596 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.773 0.512 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.105 0.762 -6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.402 1.855 -5.639 1.00 0.00 H new ATOM 300 N LEU A 18 2.903 2.014 -1.216 1.00 0.00 N ATOM 301 CA LEU A 18 3.883 3.040 -0.751 1.00 0.00 C ATOM 302 C LEU A 18 4.675 2.490 0.438 1.00 0.00 C ATOM 303 O LEU A 18 5.860 2.732 0.572 1.00 0.00 O ATOM 304 CB LEU A 18 3.036 4.247 -0.332 1.00 0.00 C ATOM 305 CG LEU A 18 3.903 5.509 -0.338 1.00 0.00 C ATOM 306 CD1 LEU A 18 4.019 6.045 -1.767 1.00 0.00 C ATOM 307 CD2 LEU A 18 3.258 6.573 0.553 1.00 0.00 C ATOM 0 H LEU A 18 1.925 2.246 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 18 4.605 3.310 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.195 4.368 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.619 4.084 0.662 1.00 0.00 H new ATOM 0 HG LEU A 18 4.896 5.268 0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.636 6.943 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.477 5.288 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.026 6.286 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.874 7.472 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.265 6.812 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.175 6.193 1.571 1.00 0.00 H new ATOM 319 N ALA A 19 4.024 1.737 1.286 1.00 0.00 N ATOM 320 CA ALA A 19 4.724 1.141 2.466 1.00 0.00 C ATOM 321 C ALA A 19 5.817 0.177 1.985 1.00 0.00 C ATOM 322 O ALA A 19 6.902 0.134 2.533 1.00 0.00 O ATOM 323 CB ALA A 19 3.640 0.387 3.239 1.00 0.00 C ATOM 0 H ALA A 19 3.033 1.507 1.213 1.00 0.00 H new ATOM 0 HA ALA A 19 5.208 1.894 3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.079 -0.078 4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.861 1.084 3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.207 -0.383 2.601 1.00 0.00 H new ATOM 329 N ALA A 20 5.537 -0.583 0.952 1.00 0.00 N ATOM 330 CA ALA A 20 6.558 -1.535 0.415 1.00 0.00 C ATOM 331 C ALA A 20 7.739 -0.751 -0.172 1.00 0.00 C ATOM 332 O ALA A 20 8.886 -1.123 -0.003 1.00 0.00 O ATOM 333 CB ALA A 20 5.835 -2.322 -0.681 1.00 0.00 C ATOM 0 H ALA A 20 4.644 -0.584 0.458 1.00 0.00 H new ATOM 0 HA ALA A 20 6.959 -2.194 1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.522 -3.043 -1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.984 -2.849 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.484 -1.635 -1.451 1.00 0.00 H new ATOM 339 N GLY A 21 7.462 0.340 -0.851 1.00 0.00 N ATOM 340 CA GLY A 21 8.559 1.164 -1.442 1.00 0.00 C ATOM 341 C GLY A 21 9.437 1.727 -0.320 1.00 0.00 C ATOM 342 O GLY A 21 10.648 1.764 -0.432 1.00 0.00 O ATOM 0 H GLY A 21 6.520 0.693 -1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.160 0.557 -2.119 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.139 1.978 -2.033 1.00 0.00 H new ATOM 346 N VAL A 22 8.835 2.154 0.767 1.00 0.00 N ATOM 347 CA VAL A 22 9.635 2.703 1.909 1.00 0.00 C ATOM 348 C VAL A 22 10.543 1.604 2.480 1.00 0.00 C ATOM 349 O VAL A 22 11.671 1.860 2.862 1.00 0.00 O ATOM 350 CB VAL A 22 8.603 3.156 2.953 1.00 0.00 C ATOM 351 CG1 VAL A 22 9.324 3.655 4.209 1.00 0.00 C ATOM 352 CG2 VAL A 22 7.752 4.293 2.377 1.00 0.00 C ATOM 0 H VAL A 22 7.825 2.146 0.912 1.00 0.00 H new ATOM 0 HA VAL A 22 10.279 3.528 1.606 1.00 0.00 H new ATOM 0 HB VAL A 22 7.962 2.313 3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.589 3.976 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.929 2.850 4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.968 4.495 3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.021 4.612 3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.396 5.133 2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.233 3.943 1.484 1.00 0.00 H new ATOM 362 N GLY A 23 10.061 0.382 2.529 1.00 0.00 N ATOM 363 CA GLY A 23 10.892 -0.741 3.059 1.00 0.00 C ATOM 364 C GLY A 23 12.175 -0.857 2.229 1.00 0.00 C ATOM 365 O GLY A 23 13.263 -0.952 2.764 1.00 0.00 O ATOM 0 H GLY A 23 9.125 0.117 2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.137 -0.564 4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.332 -1.675 3.016 1.00 0.00 H new ATOM 369 N ILE A 24 12.056 -0.830 0.922 1.00 0.00 N ATOM 370 CA ILE A 24 13.273 -0.921 0.053 1.00 0.00 C ATOM 371 C ILE A 24 14.005 0.428 0.040 1.00 0.00 C ATOM 372 O ILE A 24 15.206 0.478 -0.135 1.00 0.00 O ATOM 373 CB ILE A 24 12.755 -1.279 -1.347 1.00 0.00 C ATOM 374 CG1 ILE A 24 12.106 -2.667 -1.315 1.00 0.00 C ATOM 375 CG2 ILE A 24 13.920 -1.293 -2.342 1.00 0.00 C ATOM 376 CD1 ILE A 24 10.790 -2.636 -2.094 1.00 0.00 C ATOM 0 H ILE A 24 11.171 -0.749 0.421 1.00 0.00 H new ATOM 0 HA ILE A 24 13.983 -1.666 0.412 1.00 0.00 H new ATOM 0 HB ILE A 24 12.020 -0.536 -1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.780 -3.405 -1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.923 -2.970 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 24 13.548 -1.548 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 24 14.386 -0.308 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 24 14.656 -2.034 -2.030 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.330 -3.624 -2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.115 -1.910 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.986 -2.352 -3.128 1.00 0.00 H new ATOM 388 N TYR A 25 13.302 1.523 0.239 1.00 0.00 N ATOM 389 CA TYR A 25 13.987 2.854 0.256 1.00 0.00 C ATOM 390 C TYR A 25 15.022 2.889 1.390 1.00 0.00 C ATOM 391 O TYR A 25 15.982 3.633 1.342 1.00 0.00 O ATOM 392 CB TYR A 25 12.891 3.892 0.498 1.00 0.00 C ATOM 393 CG TYR A 25 13.489 5.274 0.378 1.00 0.00 C ATOM 394 CD1 TYR A 25 13.665 5.855 -0.884 1.00 0.00 C ATOM 395 CD2 TYR A 25 13.873 5.971 1.529 1.00 0.00 C ATOM 396 CE1 TYR A 25 14.224 7.133 -0.993 1.00 0.00 C ATOM 397 CE2 TYR A 25 14.431 7.249 1.420 1.00 0.00 C ATOM 398 CZ TYR A 25 14.607 7.830 0.159 1.00 0.00 C ATOM 399 OH TYR A 25 15.158 9.089 0.052 1.00 0.00 O ATOM 0 H TYR A 25 12.293 1.550 0.389 1.00 0.00 H new ATOM 0 HA TYR A 25 14.515 3.051 -0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.086 3.766 -0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.454 3.755 1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 25 13.369 5.317 -1.773 1.00 0.00 H new ATOM 0 HD2 TYR A 25 13.738 5.522 2.502 1.00 0.00 H new ATOM 0 HE1 TYR A 25 14.360 7.582 -1.966 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.726 7.787 2.309 1.00 0.00 H new ATOM 0 HH TYR A 25 15.366 9.432 0.946 1.00 0.00 H new ATOM 409 N LEU A 26 14.846 2.069 2.399 1.00 0.00 N ATOM 410 CA LEU A 26 15.832 2.027 3.518 1.00 0.00 C ATOM 411 C LEU A 26 17.050 1.193 3.087 1.00 0.00 C ATOM 412 O LEU A 26 18.141 1.364 3.596 1.00 0.00 O ATOM 413 CB LEU A 26 15.099 1.349 4.682 1.00 0.00 C ATOM 414 CG LEU A 26 14.647 2.397 5.709 1.00 0.00 C ATOM 415 CD1 LEU A 26 15.859 3.178 6.225 1.00 0.00 C ATOM 416 CD2 LEU A 26 13.654 3.366 5.060 1.00 0.00 C ATOM 0 H LEU A 26 14.059 1.427 2.493 1.00 0.00 H new ATOM 0 HA LEU A 26 16.191 3.017 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.235 0.801 4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.755 0.621 5.159 1.00 0.00 H new ATOM 0 HG LEU A 26 14.164 1.889 6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.531 3.920 6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.560 2.491 6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.350 3.680 5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.337 4.107 5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.133 3.869 4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.785 2.812 4.704 1.00 0.00 H new ATOM 428 N LEU A 27 16.866 0.297 2.139 1.00 0.00 N ATOM 429 CA LEU A 27 18.001 -0.551 1.658 1.00 0.00 C ATOM 430 C LEU A 27 18.062 -0.569 0.113 1.00 0.00 C ATOM 431 O LEU A 27 18.071 -1.630 -0.487 1.00 0.00 O ATOM 432 CB LEU A 27 17.679 -1.949 2.192 1.00 0.00 C ATOM 433 CG LEU A 27 18.946 -2.812 2.176 1.00 0.00 C ATOM 434 CD1 LEU A 27 19.622 -2.757 3.547 1.00 0.00 C ATOM 435 CD2 LEU A 27 18.576 -4.261 1.851 1.00 0.00 C ATOM 0 H LEU A 27 15.973 0.119 1.679 1.00 0.00 H new ATOM 0 HA LEU A 27 18.967 -0.179 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 27 17.287 -1.880 3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 27 16.904 -2.412 1.582 1.00 0.00 H new ATOM 0 HG LEU A 27 19.630 -2.432 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 27 20.522 -3.371 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 27 19.889 -1.726 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 27 18.937 -3.134 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 27 19.478 -4.873 1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.890 -4.640 2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.097 -4.304 0.873 1.00 0.00 H new ATOM 447 N PRO A 28 18.102 0.601 -0.492 1.00 0.00 N ATOM 448 CA PRO A 28 18.159 0.693 -1.968 1.00 0.00 C ATOM 449 C PRO A 28 19.614 0.698 -2.464 1.00 0.00 C ATOM 450 O PRO A 28 19.884 0.381 -3.608 1.00 0.00 O ATOM 451 CB PRO A 28 17.467 2.022 -2.254 1.00 0.00 C ATOM 452 CG PRO A 28 17.609 2.843 -1.001 1.00 0.00 C ATOM 453 CD PRO A 28 18.100 1.937 0.109 1.00 0.00 C ATOM 0 HA PRO A 28 17.688 -0.150 -2.473 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.926 2.526 -3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 28 16.417 1.869 -2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.311 3.662 -1.161 1.00 0.00 H new ATOM 0 HG3 PRO A 28 16.653 3.291 -0.730 1.00 0.00 H new ATOM 0 HD2 PRO A 28 19.096 2.224 0.446 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.444 1.981 0.979 1.00 0.00 H new ATOM 461 N ASN A 29 20.549 1.048 -1.613 1.00 0.00 N ATOM 462 CA ASN A 29 21.986 1.065 -2.033 1.00 0.00 C ATOM 463 C ASN A 29 22.536 -0.367 -2.122 1.00 0.00 C ATOM 464 O ASN A 29 23.405 -0.648 -2.924 1.00 0.00 O ATOM 465 CB ASN A 29 22.719 1.856 -0.945 1.00 0.00 C ATOM 466 CG ASN A 29 23.500 3.008 -1.585 1.00 0.00 C ATOM 467 OD1 ASN A 29 24.603 2.821 -2.055 1.00 0.00 O ATOM 468 ND2 ASN A 29 22.970 4.200 -1.623 1.00 0.00 N ATOM 0 H ASN A 29 20.379 1.323 -0.646 1.00 0.00 H new ATOM 0 HA ASN A 29 22.116 1.515 -3.017 1.00 0.00 H new ATOM 0 HB2 ASN A 29 22.004 2.246 -0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 29 23.399 1.201 -0.400 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.483 4.973 -2.047 1.00 0.00 H new ATOM 0 HD22 ASN A 29 22.043 4.359 -1.228 1.00 0.00 H new ATOM 475 N ARG A 30 22.027 -1.268 -1.305 1.00 0.00 N ATOM 476 CA ARG A 30 22.501 -2.694 -1.325 1.00 0.00 C ATOM 477 C ARG A 30 24.026 -2.775 -1.111 1.00 0.00 C ATOM 478 O ARG A 30 24.646 -3.659 -1.683 1.00 0.00 O ATOM 479 CB ARG A 30 22.103 -3.233 -2.709 1.00 0.00 C ATOM 480 CG ARG A 30 20.580 -3.373 -2.793 1.00 0.00 C ATOM 481 CD ARG A 30 20.155 -4.730 -2.224 1.00 0.00 C ATOM 482 NE ARG A 30 18.796 -4.501 -1.655 1.00 0.00 N ATOM 483 CZ ARG A 30 17.775 -5.187 -2.096 1.00 0.00 C ATOM 484 NH1 ARG A 30 17.466 -6.329 -1.538 1.00 0.00 N ATOM 485 NH2 ARG A 30 17.068 -4.733 -3.098 1.00 0.00 N ATOM 486 OXT ARG A 30 24.546 -1.958 -0.365 1.00 0.00 O ATOM 0 H ARG A 30 21.297 -1.073 -0.620 1.00 0.00 H new ATOM 0 HA ARG A 30 22.055 -3.280 -0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 30 22.459 -2.559 -3.488 1.00 0.00 H new ATOM 0 HB3 ARG A 30 22.576 -4.199 -2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 30 20.100 -2.568 -2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.253 -3.284 -3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 30 20.134 -5.495 -3.001 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.851 -5.072 -1.458 1.00 0.00 H new ATOM 0 HE ARG A 30 18.663 -3.807 -0.919 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.022 -6.683 -0.759 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.669 -6.865 -1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.314 -3.844 -3.534 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.271 -5.267 -3.443 1.00 0.00 H new TER 500 ARG A 30