USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 374 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 Set 1.1: A 32 TYR OH : rot 180:sc=-0.00811 USER MOD Set 1.2: A 40 MET CE :methyl 161:sc= -0.78 (180deg=-0.259) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 141:sc= -0.62 (180deg=-1.82) USER MOD Single : A 9 THR OG1 : rot -70:sc= 0.79 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 14 MET CE :methyl -173:sc= 0 (180deg=-0.00716) USER MOD Single : A 17 THR OG1 : rot 130:sc= 0.89 USER MOD Single : A 20 LYS NZ :NH3+ -143:sc= 0.682 (180deg=0.132) USER MOD Single : A 27 THR OG1 : rot 177:sc= 1.18 USER MOD Single : A 31 SER OG : rot 133:sc= -2.03! USER MOD Single : A 33 HIS :FLIP no HD1:sc=-0.00443 F(o=-1.2,f=-0.0044) USER MOD Single : A 35 GLN : amide:sc= -0.667 X(o=-0.67,f=-0.7) USER MOD Single : A 36 GLN : amide:sc= -0.0389 X(o=-0.039,f=-0.083) USER MOD Single : A 38 ASN : amide:sc= 0.182 K(o=0.18,f=-0.48) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 43 ASN : amide:sc= 0.402 K(o=0.4,f=-7.8!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 4 2.184 2.406 15.419 1.00 0.00 N ATOM 2 CA ASP A 4 3.369 2.527 14.582 1.00 0.00 C ATOM 3 C ASP A 4 3.186 1.781 13.271 1.00 0.00 C ATOM 4 O ASP A 4 4.149 1.499 12.559 1.00 0.00 O ATOM 5 CB ASP A 4 4.597 2.007 15.330 1.00 0.00 C ATOM 6 CG ASP A 4 4.793 2.704 16.661 1.00 0.00 C ATOM 7 OD1 ASP A 4 5.232 3.875 16.672 1.00 0.00 O ATOM 8 OD2 ASP A 4 4.504 2.085 17.706 1.00 0.00 O ATOM 0 HA ASP A 4 3.520 3.581 14.350 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.493 0.935 15.495 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.484 2.150 14.713 1.00 0.00 H new ATOM 13 N TYR A 5 1.939 1.473 12.956 1.00 0.00 N ATOM 14 CA TYR A 5 1.611 0.804 11.709 1.00 0.00 C ATOM 15 C TYR A 5 0.986 1.803 10.747 1.00 0.00 C ATOM 16 O TYR A 5 -0.220 2.036 10.782 1.00 0.00 O ATOM 17 CB TYR A 5 0.654 -0.364 11.967 1.00 0.00 C ATOM 18 CG TYR A 5 1.103 -1.262 13.095 1.00 0.00 C ATOM 19 CD1 TYR A 5 2.250 -2.036 12.980 1.00 0.00 C ATOM 20 CD2 TYR A 5 0.385 -1.326 14.282 1.00 0.00 C ATOM 21 CE1 TYR A 5 2.670 -2.847 14.016 1.00 0.00 C ATOM 22 CE2 TYR A 5 0.795 -2.136 15.322 1.00 0.00 C ATOM 23 CZ TYR A 5 1.939 -2.892 15.185 1.00 0.00 C ATOM 24 OH TYR A 5 2.360 -3.694 16.223 1.00 0.00 O ATOM 0 H TYR A 5 1.135 1.677 13.549 1.00 0.00 H new ATOM 0 HA TYR A 5 2.523 0.405 11.265 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.336 0.030 12.197 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.559 -0.955 11.056 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.823 -2.003 12.065 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.510 -0.732 14.393 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.565 -3.442 13.912 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.223 -2.177 16.237 1.00 0.00 H new ATOM 0 HH TYR A 5 1.736 -3.611 16.974 1.00 0.00 H new ATOM 34 N VAL A 6 1.809 2.398 9.894 1.00 0.00 N ATOM 35 CA VAL A 6 1.375 3.513 9.062 1.00 0.00 C ATOM 36 C VAL A 6 2.089 3.522 7.714 1.00 0.00 C ATOM 37 O VAL A 6 3.284 3.807 7.626 1.00 0.00 O ATOM 38 CB VAL A 6 1.597 4.882 9.762 1.00 0.00 C ATOM 39 CG1 VAL A 6 0.528 5.140 10.812 1.00 0.00 C ATOM 40 CG2 VAL A 6 2.982 4.964 10.394 1.00 0.00 C ATOM 0 H VAL A 6 2.783 2.127 9.760 1.00 0.00 H new ATOM 0 HA VAL A 6 0.307 3.370 8.900 1.00 0.00 H new ATOM 0 HB VAL A 6 1.524 5.653 8.995 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.709 6.105 11.286 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.454 5.146 10.338 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.562 4.354 11.566 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.105 5.934 10.875 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.090 4.174 11.137 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.742 4.843 9.622 1.00 0.00 H new ATOM 50 N MET A 7 1.349 3.200 6.669 1.00 0.00 N ATOM 51 CA MET A 7 1.869 3.277 5.316 1.00 0.00 C ATOM 52 C MET A 7 1.932 4.728 4.863 1.00 0.00 C ATOM 53 O MET A 7 0.907 5.333 4.528 1.00 0.00 O ATOM 54 CB MET A 7 0.995 2.470 4.351 1.00 0.00 C ATOM 55 CG MET A 7 1.421 2.595 2.896 1.00 0.00 C ATOM 56 SD MET A 7 0.372 1.652 1.768 1.00 0.00 S ATOM 57 CE MET A 7 -1.236 2.368 2.103 1.00 0.00 C ATOM 0 H MET A 7 0.382 2.881 6.732 1.00 0.00 H new ATOM 0 HA MET A 7 2.873 2.854 5.311 1.00 0.00 H new ATOM 0 HB2 MET A 7 1.023 1.419 4.640 1.00 0.00 H new ATOM 0 HB3 MET A 7 -0.039 2.800 4.448 1.00 0.00 H new ATOM 0 HG2 MET A 7 1.403 3.646 2.607 1.00 0.00 H new ATOM 0 HG3 MET A 7 2.452 2.255 2.795 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.792 2.466 1.171 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.786 1.723 2.788 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.109 3.352 2.555 1.00 0.00 H new ATOM 67 N ALA A 8 3.127 5.295 4.890 1.00 0.00 N ATOM 68 CA ALA A 8 3.340 6.638 4.383 1.00 0.00 C ATOM 69 C ALA A 8 3.279 6.613 2.865 1.00 0.00 C ATOM 70 O ALA A 8 4.049 5.904 2.215 1.00 0.00 O ATOM 71 CB ALA A 8 4.673 7.191 4.863 1.00 0.00 C ATOM 0 H ALA A 8 3.965 4.844 5.258 1.00 0.00 H new ATOM 0 HA ALA A 8 2.557 7.295 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.811 8.199 4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.683 7.221 5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.481 6.550 4.510 1.00 0.00 H new ATOM 77 N THR A 9 2.354 7.360 2.301 1.00 0.00 N ATOM 78 CA THR A 9 2.113 7.298 0.873 1.00 0.00 C ATOM 79 C THR A 9 2.668 8.518 0.149 1.00 0.00 C ATOM 80 O THR A 9 3.125 9.473 0.777 1.00 0.00 O ATOM 81 CB THR A 9 0.611 7.184 0.580 1.00 0.00 C ATOM 82 OG1 THR A 9 -0.093 8.230 1.264 1.00 0.00 O ATOM 83 CG2 THR A 9 0.067 5.833 1.016 1.00 0.00 C ATOM 0 H THR A 9 1.758 8.016 2.806 1.00 0.00 H new ATOM 0 HA THR A 9 2.630 6.411 0.505 1.00 0.00 H new ATOM 0 HB THR A 9 0.464 7.280 -0.496 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.076 8.059 2.229 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.999 5.782 0.796 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.587 5.040 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.223 5.707 2.087 1.00 0.00 H new ATOM 91 N LYS A 10 2.618 8.462 -1.180 1.00 0.00 N ATOM 92 CA LYS A 10 3.032 9.559 -2.049 1.00 0.00 C ATOM 93 C LYS A 10 2.316 10.853 -1.669 1.00 0.00 C ATOM 94 O LYS A 10 2.906 11.933 -1.679 1.00 0.00 O ATOM 95 CB LYS A 10 2.700 9.191 -3.496 1.00 0.00 C ATOM 96 CG LYS A 10 2.984 10.287 -4.508 1.00 0.00 C ATOM 97 CD LYS A 10 2.791 9.780 -5.927 1.00 0.00 C ATOM 98 CE LYS A 10 1.377 9.260 -6.131 1.00 0.00 C ATOM 99 NZ LYS A 10 1.175 8.687 -7.485 1.00 0.00 N ATOM 0 H LYS A 10 2.285 7.643 -1.689 1.00 0.00 H new ATOM 0 HA LYS A 10 4.104 9.719 -1.936 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.270 8.304 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.645 8.923 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.322 11.134 -4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.005 10.647 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.993 10.584 -6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.508 8.986 -6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.161 8.499 -5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.668 10.073 -5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.197 8.346 -7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.354 9.419 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.832 7.894 -7.628 1.00 0.00 H new ATOM 113 N ASP A 11 1.045 10.718 -1.314 1.00 0.00 N ATOM 114 CA ASP A 11 0.206 11.860 -0.964 1.00 0.00 C ATOM 115 C ASP A 11 0.684 12.516 0.330 1.00 0.00 C ATOM 116 O ASP A 11 0.350 13.664 0.625 1.00 0.00 O ATOM 117 CB ASP A 11 -1.249 11.407 -0.826 1.00 0.00 C ATOM 118 CG ASP A 11 -2.204 12.563 -0.611 1.00 0.00 C ATOM 119 OD1 ASP A 11 -2.192 13.505 -1.429 1.00 0.00 O ATOM 120 OD2 ASP A 11 -2.992 12.521 0.356 1.00 0.00 O ATOM 0 H ASP A 11 0.567 9.819 -1.260 1.00 0.00 H new ATOM 0 HA ASP A 11 0.278 12.601 -1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.542 10.861 -1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.331 10.713 0.010 1.00 0.00 H new ATOM 125 N GLY A 12 1.480 11.778 1.091 1.00 0.00 N ATOM 126 CA GLY A 12 2.014 12.295 2.330 1.00 0.00 C ATOM 127 C GLY A 12 1.167 11.908 3.522 1.00 0.00 C ATOM 128 O GLY A 12 1.468 12.283 4.654 1.00 0.00 O ATOM 0 H GLY A 12 1.766 10.824 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.028 11.922 2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.080 13.381 2.270 1.00 0.00 H new ATOM 132 N ARG A 13 0.109 11.152 3.271 1.00 0.00 N ATOM 133 CA ARG A 13 -0.798 10.746 4.332 1.00 0.00 C ATOM 134 C ARG A 13 -0.448 9.359 4.844 1.00 0.00 C ATOM 135 O ARG A 13 -0.056 8.479 4.074 1.00 0.00 O ATOM 136 CB ARG A 13 -2.253 10.794 3.858 1.00 0.00 C ATOM 137 CG ARG A 13 -2.571 9.873 2.689 1.00 0.00 C ATOM 138 CD ARG A 13 -3.956 10.153 2.118 1.00 0.00 C ATOM 139 NE ARG A 13 -5.025 9.916 3.089 1.00 0.00 N ATOM 140 CZ ARG A 13 -5.647 10.881 3.777 1.00 0.00 C ATOM 141 NH1 ARG A 13 -5.265 12.148 3.664 1.00 0.00 N ATOM 142 NH2 ARG A 13 -6.648 10.569 4.589 1.00 0.00 N ATOM 0 H ARG A 13 -0.142 10.808 2.344 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.685 11.452 5.155 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.902 10.535 4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.494 11.818 3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.821 10.002 1.908 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.514 8.835 3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.002 11.188 1.778 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.118 9.523 1.244 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.315 8.952 3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.490 12.394 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.746 12.875 4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.941 9.597 4.687 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.125 11.301 5.115 1.00 0.00 H new ATOM 156 N MET A 14 -0.579 9.181 6.147 1.00 0.00 N ATOM 157 CA MET A 14 -0.295 7.905 6.778 1.00 0.00 C ATOM 158 C MET A 14 -1.563 7.080 6.895 1.00 0.00 C ATOM 159 O MET A 14 -2.476 7.431 7.643 1.00 0.00 O ATOM 160 CB MET A 14 0.315 8.101 8.170 1.00 0.00 C ATOM 161 CG MET A 14 1.797 8.436 8.164 1.00 0.00 C ATOM 162 SD MET A 14 2.160 10.042 7.421 1.00 0.00 S ATOM 163 CE MET A 14 3.944 10.086 7.578 1.00 0.00 C ATOM 0 H MET A 14 -0.883 9.910 6.792 1.00 0.00 H new ATOM 0 HA MET A 14 0.425 7.378 6.152 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.224 8.900 8.680 1.00 0.00 H new ATOM 0 HB3 MET A 14 0.163 7.192 8.751 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.170 8.424 9.188 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.336 7.661 7.620 1.00 0.00 H new ATOM 0 HE1 MET A 14 4.312 11.067 7.278 1.00 0.00 H new ATOM 0 HE2 MET A 14 4.223 9.895 8.614 1.00 0.00 H new ATOM 0 HE3 MET A 14 4.385 9.322 6.937 1.00 0.00 H new ATOM 173 N ILE A 15 -1.627 5.997 6.147 1.00 0.00 N ATOM 174 CA ILE A 15 -2.743 5.079 6.254 1.00 0.00 C ATOM 175 C ILE A 15 -2.399 4.007 7.274 1.00 0.00 C ATOM 176 O ILE A 15 -1.345 3.388 7.185 1.00 0.00 O ATOM 177 CB ILE A 15 -3.082 4.440 4.891 1.00 0.00 C ATOM 178 CG1 ILE A 15 -3.459 5.535 3.882 1.00 0.00 C ATOM 179 CG2 ILE A 15 -4.212 3.424 5.038 1.00 0.00 C ATOM 180 CD1 ILE A 15 -3.756 5.019 2.490 1.00 0.00 C ATOM 0 H ILE A 15 -0.921 5.731 5.460 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.625 5.631 6.578 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.204 3.911 4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.333 6.070 4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.644 6.256 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.436 2.985 4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.907 2.638 5.729 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.101 3.922 5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.013 5.855 1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.877 4.509 2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.592 4.321 2.531 1.00 0.00 H new ATOM 192 N LEU A 16 -3.274 3.808 8.250 1.00 0.00 N ATOM 193 CA LEU A 16 -3.008 2.869 9.332 1.00 0.00 C ATOM 194 C LEU A 16 -3.018 1.442 8.784 1.00 0.00 C ATOM 195 O LEU A 16 -4.062 0.931 8.381 1.00 0.00 O ATOM 196 CB LEU A 16 -4.067 3.033 10.430 1.00 0.00 C ATOM 197 CG LEU A 16 -3.584 2.826 11.871 1.00 0.00 C ATOM 198 CD1 LEU A 16 -3.081 1.408 12.089 1.00 0.00 C ATOM 199 CD2 LEU A 16 -2.504 3.840 12.215 1.00 0.00 C ATOM 0 H LEU A 16 -4.174 4.284 8.315 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.027 3.072 9.762 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.491 4.034 10.351 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.875 2.328 10.235 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.433 2.979 12.537 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.746 1.295 13.120 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.887 0.701 11.890 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.249 1.209 11.414 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.170 3.682 13.240 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.660 3.718 11.536 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.907 4.848 12.116 1.00 0.00 H new ATOM 211 N THR A 17 -1.853 0.814 8.763 1.00 0.00 N ATOM 212 CA THR A 17 -1.692 -0.459 8.084 1.00 0.00 C ATOM 213 C THR A 17 -1.147 -1.566 8.984 1.00 0.00 C ATOM 214 O THR A 17 0.041 -1.886 8.947 1.00 0.00 O ATOM 215 CB THR A 17 -0.769 -0.302 6.862 1.00 0.00 C ATOM 216 OG1 THR A 17 0.272 0.641 7.164 1.00 0.00 O ATOM 217 CG2 THR A 17 -1.551 0.157 5.635 1.00 0.00 C ATOM 0 H THR A 17 -1.006 1.166 9.209 1.00 0.00 H new ATOM 0 HA THR A 17 -2.692 -0.760 7.773 1.00 0.00 H new ATOM 0 HB THR A 17 -0.329 -1.273 6.635 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.142 0.254 6.932 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.872 0.259 4.788 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.320 -0.578 5.397 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.020 1.119 5.842 1.00 0.00 H new ATOM 225 N ASP A 18 -2.011 -2.142 9.805 1.00 0.00 N ATOM 226 CA ASP A 18 -1.696 -3.416 10.435 1.00 0.00 C ATOM 227 C ASP A 18 -2.267 -4.503 9.549 1.00 0.00 C ATOM 228 O ASP A 18 -3.470 -4.520 9.285 1.00 0.00 O ATOM 229 CB ASP A 18 -2.263 -3.527 11.851 1.00 0.00 C ATOM 230 CG ASP A 18 -1.967 -4.884 12.466 1.00 0.00 C ATOM 231 OD1 ASP A 18 -0.784 -5.161 12.767 1.00 0.00 O ATOM 232 OD2 ASP A 18 -2.913 -5.682 12.636 1.00 0.00 O ATOM 0 H ASP A 18 -2.923 -1.755 10.049 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.615 -3.511 10.538 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.837 -2.742 12.477 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.341 -3.365 11.826 1.00 0.00 H new ATOM 237 N GLY A 19 -1.423 -5.400 9.079 1.00 0.00 N ATOM 238 CA GLY A 19 -1.819 -6.219 7.943 1.00 0.00 C ATOM 239 C GLY A 19 -0.901 -5.905 6.796 1.00 0.00 C ATOM 240 O GLY A 19 -0.204 -6.789 6.298 1.00 0.00 O ATOM 0 H GLY A 19 -0.489 -5.580 9.448 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.760 -7.277 8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.854 -6.014 7.669 1.00 0.00 H new ATOM 244 N LYS A 20 -0.916 -4.632 6.367 1.00 0.00 N ATOM 245 CA LYS A 20 0.336 -4.011 5.975 1.00 0.00 C ATOM 246 C LYS A 20 0.902 -4.397 4.599 1.00 0.00 C ATOM 247 O LYS A 20 0.957 -5.567 4.222 1.00 0.00 O ATOM 248 CB LYS A 20 1.372 -4.297 7.092 1.00 0.00 C ATOM 249 CG LYS A 20 2.745 -3.634 6.940 1.00 0.00 C ATOM 250 CD LYS A 20 3.641 -4.369 5.954 1.00 0.00 C ATOM 251 CE LYS A 20 3.700 -5.856 6.252 1.00 0.00 C ATOM 252 NZ LYS A 20 4.302 -6.620 5.132 1.00 0.00 N ATOM 0 H LYS A 20 -1.746 -4.044 6.288 1.00 0.00 H new ATOM 0 HA LYS A 20 0.122 -2.949 5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.944 -3.980 8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.519 -5.375 7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.613 -2.604 6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.236 -3.595 7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.270 -4.215 4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.646 -3.950 5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.282 -6.022 7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.694 -6.228 6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.814 -7.533 5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.205 -6.077 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.310 -6.786 5.327 1.00 0.00 H new ATOM 266 N PRO A 21 1.305 -3.364 3.839 1.00 0.00 N ATOM 267 CA PRO A 21 1.765 -3.475 2.445 1.00 0.00 C ATOM 268 C PRO A 21 2.747 -4.612 2.166 1.00 0.00 C ATOM 269 O PRO A 21 3.749 -4.794 2.864 1.00 0.00 O ATOM 270 CB PRO A 21 2.452 -2.133 2.217 1.00 0.00 C ATOM 271 CG PRO A 21 1.688 -1.189 3.067 1.00 0.00 C ATOM 272 CD PRO A 21 1.330 -1.959 4.301 1.00 0.00 C ATOM 0 HA PRO A 21 0.927 -3.702 1.785 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.503 -2.169 2.505 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.419 -1.841 1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.285 -0.311 3.312 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.795 -0.834 2.553 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.064 -1.810 5.093 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.364 -1.651 4.700 1.00 0.00 H new ATOM 280 N GLU A 22 2.436 -5.374 1.132 1.00 0.00 N ATOM 281 CA GLU A 22 3.350 -6.352 0.578 1.00 0.00 C ATOM 282 C GLU A 22 3.669 -5.941 -0.853 1.00 0.00 C ATOM 283 O GLU A 22 2.787 -5.949 -1.709 1.00 0.00 O ATOM 284 CB GLU A 22 2.713 -7.739 0.586 1.00 0.00 C ATOM 285 CG GLU A 22 3.713 -8.870 0.719 1.00 0.00 C ATOM 286 CD GLU A 22 3.050 -10.226 0.636 1.00 0.00 C ATOM 287 OE1 GLU A 22 2.478 -10.680 1.651 1.00 0.00 O ATOM 288 OE2 GLU A 22 3.086 -10.842 -0.451 1.00 0.00 O ATOM 0 H GLU A 22 1.537 -5.330 0.652 1.00 0.00 H new ATOM 0 HA GLU A 22 4.260 -6.391 1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.001 -7.797 1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.146 -7.874 -0.335 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.463 -8.785 -0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.237 -8.780 1.671 1.00 0.00 H new ATOM 295 N ILE A 23 4.905 -5.548 -1.112 1.00 0.00 N ATOM 296 CA ILE A 23 5.267 -5.059 -2.434 1.00 0.00 C ATOM 297 C ILE A 23 5.282 -6.196 -3.449 1.00 0.00 C ATOM 298 O ILE A 23 6.161 -7.060 -3.425 1.00 0.00 O ATOM 299 CB ILE A 23 6.636 -4.345 -2.440 1.00 0.00 C ATOM 300 CG1 ILE A 23 6.653 -3.210 -1.408 1.00 0.00 C ATOM 301 CG2 ILE A 23 6.940 -3.802 -3.833 1.00 0.00 C ATOM 302 CD1 ILE A 23 7.951 -2.429 -1.385 1.00 0.00 C ATOM 0 H ILE A 23 5.667 -5.557 -0.434 1.00 0.00 H new ATOM 0 HA ILE A 23 4.506 -4.331 -2.714 1.00 0.00 H new ATOM 0 HB ILE A 23 7.407 -5.067 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.831 -2.526 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.473 -3.628 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.908 -3.301 -3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.964 -4.625 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.166 -3.092 -4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.890 -1.643 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.775 -3.100 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.123 -1.981 -2.363 1.00 0.00 H new ATOM 314 N ASP A 24 4.291 -6.191 -4.327 1.00 0.00 N ATOM 315 CA ASP A 24 4.201 -7.164 -5.402 1.00 0.00 C ATOM 316 C ASP A 24 5.101 -6.691 -6.542 1.00 0.00 C ATOM 317 O ASP A 24 4.670 -5.971 -7.447 1.00 0.00 O ATOM 318 CB ASP A 24 2.743 -7.296 -5.858 1.00 0.00 C ATOM 319 CG ASP A 24 2.404 -8.684 -6.351 1.00 0.00 C ATOM 320 OD1 ASP A 24 3.021 -9.658 -5.872 1.00 0.00 O ATOM 321 OD2 ASP A 24 1.525 -8.809 -7.227 1.00 0.00 O ATOM 0 H ASP A 24 3.529 -5.514 -4.314 1.00 0.00 H new ATOM 0 HA ASP A 24 4.531 -8.148 -5.068 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.084 -7.039 -5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.550 -6.576 -6.653 1.00 0.00 H new ATOM 326 N ASP A 25 6.365 -7.089 -6.473 1.00 0.00 N ATOM 327 CA ASP A 25 7.428 -6.432 -7.230 1.00 0.00 C ATOM 328 C ASP A 25 7.472 -6.894 -8.682 1.00 0.00 C ATOM 329 O ASP A 25 8.101 -6.257 -9.522 1.00 0.00 O ATOM 330 CB ASP A 25 8.773 -6.692 -6.547 1.00 0.00 C ATOM 331 CG ASP A 25 9.806 -5.617 -6.843 1.00 0.00 C ATOM 332 OD1 ASP A 25 9.815 -4.585 -6.132 1.00 0.00 O ATOM 333 OD2 ASP A 25 10.633 -5.809 -7.755 1.00 0.00 O ATOM 0 H ASP A 25 6.682 -7.869 -5.897 1.00 0.00 H new ATOM 0 HA ASP A 25 7.219 -5.362 -7.244 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.621 -6.755 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.159 -7.658 -6.872 1.00 0.00 H new ATOM 338 N ASP A 26 6.783 -7.985 -8.987 1.00 0.00 N ATOM 339 CA ASP A 26 6.756 -8.499 -10.349 1.00 0.00 C ATOM 340 C ASP A 26 5.559 -7.935 -11.081 1.00 0.00 C ATOM 341 O ASP A 26 5.345 -8.195 -12.266 1.00 0.00 O ATOM 342 CB ASP A 26 6.680 -10.025 -10.361 1.00 0.00 C ATOM 343 CG ASP A 26 8.015 -10.694 -10.105 1.00 0.00 C ATOM 344 OD1 ASP A 26 8.394 -10.847 -8.925 1.00 0.00 O ATOM 345 OD2 ASP A 26 8.676 -11.104 -11.086 1.00 0.00 O ATOM 0 H ASP A 26 6.239 -8.527 -8.316 1.00 0.00 H new ATOM 0 HA ASP A 26 7.677 -8.194 -10.846 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.967 -10.352 -9.605 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.295 -10.355 -11.326 1.00 0.00 H new ATOM 350 N THR A 27 4.780 -7.164 -10.356 1.00 0.00 N ATOM 351 CA THR A 27 3.530 -6.656 -10.865 1.00 0.00 C ATOM 352 C THR A 27 3.517 -5.129 -10.871 1.00 0.00 C ATOM 353 O THR A 27 2.961 -4.504 -11.774 1.00 0.00 O ATOM 354 CB THR A 27 2.379 -7.191 -10.004 1.00 0.00 C ATOM 355 OG1 THR A 27 2.763 -8.451 -9.435 1.00 0.00 O ATOM 356 CG2 THR A 27 1.132 -7.389 -10.835 1.00 0.00 C ATOM 0 H THR A 27 4.995 -6.874 -9.402 1.00 0.00 H new ATOM 0 HA THR A 27 3.408 -6.994 -11.894 1.00 0.00 H new ATOM 0 HB THR A 27 2.167 -6.465 -9.219 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.050 -8.775 -8.846 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.330 -7.769 -10.202 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.830 -6.437 -11.271 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.336 -8.104 -11.632 1.00 0.00 H new ATOM 364 N GLY A 28 4.149 -4.533 -9.866 1.00 0.00 N ATOM 365 CA GLY A 28 4.184 -3.087 -9.765 1.00 0.00 C ATOM 366 C GLY A 28 3.137 -2.571 -8.801 1.00 0.00 C ATOM 367 O GLY A 28 2.856 -1.373 -8.749 1.00 0.00 O ATOM 0 H GLY A 28 4.638 -5.026 -9.119 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.173 -2.768 -9.434 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.021 -2.649 -10.750 1.00 0.00 H new ATOM 371 N LEU A 29 2.560 -3.485 -8.033 1.00 0.00 N ATOM 372 CA LEU A 29 1.523 -3.142 -7.075 1.00 0.00 C ATOM 373 C LEU A 29 1.979 -3.476 -5.666 1.00 0.00 C ATOM 374 O LEU A 29 3.035 -4.071 -5.475 1.00 0.00 O ATOM 375 CB LEU A 29 0.213 -3.882 -7.383 1.00 0.00 C ATOM 376 CG LEU A 29 -0.556 -3.393 -8.616 1.00 0.00 C ATOM 377 CD1 LEU A 29 0.097 -3.876 -9.902 1.00 0.00 C ATOM 378 CD2 LEU A 29 -2.003 -3.846 -8.544 1.00 0.00 C ATOM 0 H LEU A 29 2.796 -4.477 -8.057 1.00 0.00 H new ATOM 0 HA LEU A 29 1.339 -2.070 -7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.438 -4.940 -7.515 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.441 -3.801 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.530 -2.303 -8.623 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.472 -3.513 -10.758 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.117 -3.496 -9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.114 -4.966 -9.914 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.539 -3.493 -9.425 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.042 -4.935 -8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.468 -3.436 -7.648 1.00 0.00 H new ATOM 390 N VAL A 30 1.193 -3.072 -4.685 1.00 0.00 N ATOM 391 CA VAL A 30 1.490 -3.357 -3.293 1.00 0.00 C ATOM 392 C VAL A 30 0.217 -3.792 -2.569 1.00 0.00 C ATOM 393 O VAL A 30 -0.735 -3.021 -2.461 1.00 0.00 O ATOM 394 CB VAL A 30 2.092 -2.124 -2.579 1.00 0.00 C ATOM 395 CG1 VAL A 30 2.431 -2.450 -1.138 1.00 0.00 C ATOM 396 CG2 VAL A 30 3.330 -1.615 -3.305 1.00 0.00 C ATOM 0 H VAL A 30 0.335 -2.540 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 30 2.226 -4.161 -3.266 1.00 0.00 H new ATOM 0 HB VAL A 30 1.339 -1.336 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.853 -1.569 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.527 -2.754 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.158 -3.262 -1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.730 -0.748 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.084 -2.402 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.064 -1.330 -4.323 1.00 0.00 H new ATOM 406 N SER A 31 0.200 -5.028 -2.093 1.00 0.00 N ATOM 407 CA SER A 31 -0.965 -5.572 -1.414 1.00 0.00 C ATOM 408 C SER A 31 -0.987 -5.156 0.053 1.00 0.00 C ATOM 409 O SER A 31 -0.198 -5.647 0.860 1.00 0.00 O ATOM 410 CB SER A 31 -0.967 -7.099 -1.538 1.00 0.00 C ATOM 411 OG SER A 31 0.319 -7.635 -1.284 1.00 0.00 O ATOM 0 H SER A 31 0.985 -5.676 -2.165 1.00 0.00 H new ATOM 0 HA SER A 31 -1.862 -5.172 -1.887 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.686 -7.523 -0.836 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.292 -7.385 -2.538 1.00 0.00 H new ATOM 0 HG SER A 31 0.242 -8.392 -0.666 1.00 0.00 H new ATOM 417 N TYR A 32 -1.877 -4.243 0.402 1.00 0.00 N ATOM 418 CA TYR A 32 -1.980 -3.792 1.776 1.00 0.00 C ATOM 419 C TYR A 32 -3.311 -4.232 2.367 1.00 0.00 C ATOM 420 O TYR A 32 -4.280 -4.470 1.643 1.00 0.00 O ATOM 421 CB TYR A 32 -1.814 -2.267 1.880 1.00 0.00 C ATOM 422 CG TYR A 32 -3.078 -1.462 1.653 1.00 0.00 C ATOM 423 CD1 TYR A 32 -3.659 -1.364 0.394 1.00 0.00 C ATOM 424 CD2 TYR A 32 -3.676 -0.782 2.708 1.00 0.00 C ATOM 425 CE1 TYR A 32 -4.800 -0.606 0.193 1.00 0.00 C ATOM 426 CE2 TYR A 32 -4.815 -0.028 2.515 1.00 0.00 C ATOM 427 CZ TYR A 32 -5.372 0.056 1.258 1.00 0.00 C ATOM 428 OH TYR A 32 -6.501 0.820 1.065 1.00 0.00 O ATOM 0 H TYR A 32 -2.534 -3.803 -0.243 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.171 -4.247 2.347 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.422 -2.027 2.869 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.065 -1.949 1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.214 -1.887 -0.440 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.242 -0.845 3.695 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.239 -0.534 -0.791 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.268 0.494 3.345 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.776 1.218 1.917 1.00 0.00 H new ATOM 438 N HIS A 33 -3.347 -4.361 3.678 1.00 0.00 N ATOM 439 CA HIS A 33 -4.554 -4.793 4.360 1.00 0.00 C ATOM 440 C HIS A 33 -5.077 -3.671 5.242 1.00 0.00 C ATOM 441 O HIS A 33 -4.327 -3.097 6.031 1.00 0.00 O ATOM 442 CB HIS A 33 -4.288 -6.056 5.193 1.00 0.00 C ATOM 443 CG HIS A 33 -3.844 -7.239 4.384 1.00 0.00 C ATOM 444 ND1 HIS A 33 -4.016 -7.526 3.073 1.00 0.00 N flip ATOM 445 CD2 HIS A 33 -3.131 -8.296 4.912 1.00 0.00 C flip ATOM 446 CE1 HIS A 33 -3.414 -8.730 2.837 1.00 0.00 C flip ATOM 447 NE2 HIS A 33 -2.884 -9.176 3.959 1.00 0.00 N flip ATOM 0 H HIS A 33 -2.556 -4.173 4.294 1.00 0.00 H new ATOM 0 HA HIS A 33 -5.309 -5.037 3.613 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.526 -5.833 5.939 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.197 -6.320 5.734 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.823 -8.389 5.943 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.378 -9.236 1.883 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.371 -10.051 4.071 1.00 0.00 H new ATOM 456 N ASP A 34 -6.352 -3.347 5.066 1.00 0.00 N ATOM 457 CA ASP A 34 -6.999 -2.274 5.819 1.00 0.00 C ATOM 458 C ASP A 34 -7.112 -2.577 7.299 1.00 0.00 C ATOM 459 O ASP A 34 -6.838 -3.686 7.756 1.00 0.00 O ATOM 460 CB ASP A 34 -8.409 -2.007 5.294 1.00 0.00 C ATOM 461 CG ASP A 34 -8.550 -0.653 4.641 1.00 0.00 C ATOM 462 OD1 ASP A 34 -7.967 0.321 5.158 1.00 0.00 O ATOM 463 OD2 ASP A 34 -9.270 -0.560 3.629 1.00 0.00 O ATOM 0 H ASP A 34 -6.966 -3.817 4.401 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.361 -1.401 5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.675 -2.781 4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.118 -2.082 6.119 1.00 0.00 H new ATOM 468 N GLN A 35 -7.584 -1.574 8.026 1.00 0.00 N ATOM 469 CA GLN A 35 -7.858 -1.692 9.451 1.00 0.00 C ATOM 470 C GLN A 35 -9.062 -2.601 9.687 1.00 0.00 C ATOM 471 O GLN A 35 -9.378 -2.952 10.823 1.00 0.00 O ATOM 472 CB GLN A 35 -8.147 -0.309 10.032 1.00 0.00 C ATOM 473 CG GLN A 35 -7.053 0.707 9.764 1.00 0.00 C ATOM 474 CD GLN A 35 -7.471 2.117 10.124 1.00 0.00 C ATOM 475 OE1 GLN A 35 -7.294 2.557 11.255 1.00 0.00 O ATOM 476 NE2 GLN A 35 -8.022 2.838 9.159 1.00 0.00 N ATOM 0 H GLN A 35 -7.789 -0.651 7.642 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.986 -2.124 9.941 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.084 0.061 9.616 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.290 -0.400 11.109 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.164 0.438 10.335 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.778 0.671 8.710 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.152 2.434 8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.317 3.797 9.344 1.00 0.00 H new ATOM 485 N GLN A 36 -9.746 -2.953 8.605 1.00 0.00 N ATOM 486 CA GLN A 36 -10.915 -3.820 8.676 1.00 0.00 C ATOM 487 C GLN A 36 -10.643 -5.139 7.962 1.00 0.00 C ATOM 488 O GLN A 36 -11.571 -5.851 7.576 1.00 0.00 O ATOM 489 CB GLN A 36 -12.128 -3.123 8.055 1.00 0.00 C ATOM 490 CG GLN A 36 -12.559 -1.874 8.807 1.00 0.00 C ATOM 491 CD GLN A 36 -13.068 -2.182 10.205 1.00 0.00 C ATOM 492 OE1 GLN A 36 -14.262 -2.403 10.407 1.00 0.00 O ATOM 493 NE2 GLN A 36 -12.171 -2.211 11.175 1.00 0.00 N ATOM 0 H GLN A 36 -9.508 -2.648 7.661 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.129 -4.030 9.724 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.895 -2.855 7.024 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.962 -3.824 8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -11.717 -1.186 8.874 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.341 -1.366 8.243 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.190 -2.022 10.968 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.460 -2.422 12.130 1.00 0.00 H new ATOM 502 N GLY A 37 -9.364 -5.462 7.801 1.00 0.00 N ATOM 503 CA GLY A 37 -8.982 -6.699 7.145 1.00 0.00 C ATOM 504 C GLY A 37 -9.357 -6.726 5.677 1.00 0.00 C ATOM 505 O GLY A 37 -9.816 -7.747 5.167 1.00 0.00 O ATOM 0 H GLY A 37 -8.582 -4.887 8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.905 -6.839 7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.460 -7.537 7.653 1.00 0.00 H new ATOM 509 N ASN A 38 -9.171 -5.599 4.999 1.00 0.00 N ATOM 510 CA ASN A 38 -9.471 -5.506 3.572 1.00 0.00 C ATOM 511 C ASN A 38 -8.201 -5.703 2.757 1.00 0.00 C ATOM 512 O ASN A 38 -7.259 -4.918 2.871 1.00 0.00 O ATOM 513 CB ASN A 38 -10.086 -4.143 3.220 1.00 0.00 C ATOM 514 CG ASN A 38 -11.380 -3.859 3.956 1.00 0.00 C ATOM 515 OD1 ASN A 38 -12.140 -4.769 4.282 1.00 0.00 O ATOM 516 ND2 ASN A 38 -11.639 -2.588 4.227 1.00 0.00 N ATOM 0 H ASN A 38 -8.814 -4.737 5.412 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.192 -6.288 3.333 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.366 -3.358 3.450 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.271 -4.102 2.147 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.494 -2.336 4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.983 -1.861 3.940 1.00 0.00 H new ATOM 523 N ALA A 39 -8.168 -6.750 1.948 1.00 0.00 N ATOM 524 CA ALA A 39 -7.013 -7.022 1.100 1.00 0.00 C ATOM 525 C ALA A 39 -7.123 -6.278 -0.224 1.00 0.00 C ATOM 526 O ALA A 39 -7.887 -6.672 -1.108 1.00 0.00 O ATOM 527 CB ALA A 39 -6.867 -8.519 0.861 1.00 0.00 C ATOM 0 H ALA A 39 -8.926 -7.426 1.859 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.122 -6.665 1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.000 -8.703 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.733 -9.028 1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.763 -8.898 0.370 1.00 0.00 H new ATOM 533 N MET A 40 -6.371 -5.191 -0.354 1.00 0.00 N ATOM 534 CA MET A 40 -6.395 -4.389 -1.572 1.00 0.00 C ATOM 535 C MET A 40 -4.984 -4.107 -2.059 1.00 0.00 C ATOM 536 O MET A 40 -4.038 -4.109 -1.274 1.00 0.00 O ATOM 537 CB MET A 40 -7.146 -3.074 -1.345 1.00 0.00 C ATOM 538 CG MET A 40 -8.630 -3.268 -1.099 1.00 0.00 C ATOM 539 SD MET A 40 -9.533 -1.713 -0.971 1.00 0.00 S ATOM 540 CE MET A 40 -8.923 -1.107 0.597 1.00 0.00 C ATOM 0 H MET A 40 -5.738 -4.845 0.367 1.00 0.00 H new ATOM 0 HA MET A 40 -6.920 -4.960 -2.337 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.708 -2.555 -0.492 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.009 -2.430 -2.214 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.052 -3.861 -1.910 1.00 0.00 H new ATOM 0 HG3 MET A 40 -8.769 -3.839 -0.181 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.107 -0.035 0.669 1.00 0.00 H new ATOM 0 HE2 MET A 40 -9.438 -1.619 1.410 1.00 0.00 H new ATOM 0 HE3 MET A 40 -7.852 -1.297 0.669 1.00 0.00 H new ATOM 550 N GLN A 41 -4.842 -3.870 -3.353 1.00 0.00 N ATOM 551 CA GLN A 41 -3.535 -3.620 -3.937 1.00 0.00 C ATOM 552 C GLN A 41 -3.433 -2.187 -4.441 1.00 0.00 C ATOM 553 O GLN A 41 -4.256 -1.738 -5.239 1.00 0.00 O ATOM 554 CB GLN A 41 -3.261 -4.590 -5.086 1.00 0.00 C ATOM 555 CG GLN A 41 -3.271 -6.053 -4.674 1.00 0.00 C ATOM 556 CD GLN A 41 -2.953 -6.981 -5.829 1.00 0.00 C ATOM 557 OE1 GLN A 41 -3.250 -6.677 -6.986 1.00 0.00 O ATOM 558 NE2 GLN A 41 -2.357 -8.122 -5.526 1.00 0.00 N ATOM 0 H GLN A 41 -5.615 -3.846 -4.018 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.788 -3.774 -3.158 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.009 -4.437 -5.864 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.292 -4.353 -5.525 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.544 -6.208 -3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.250 -6.306 -4.267 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.128 -8.336 -4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.126 -8.788 -6.263 1.00 0.00 H new ATOM 567 N ILE A 42 -2.429 -1.476 -3.961 1.00 0.00 N ATOM 568 CA ILE A 42 -2.157 -0.128 -4.430 1.00 0.00 C ATOM 569 C ILE A 42 -1.017 -0.162 -5.442 1.00 0.00 C ATOM 570 O ILE A 42 -0.497 -1.231 -5.755 1.00 0.00 O ATOM 571 CB ILE A 42 -1.776 0.833 -3.282 1.00 0.00 C ATOM 572 CG1 ILE A 42 -0.401 0.480 -2.714 1.00 0.00 C ATOM 573 CG2 ILE A 42 -2.827 0.804 -2.184 1.00 0.00 C ATOM 574 CD1 ILE A 42 0.281 1.654 -2.053 1.00 0.00 C ATOM 0 H ILE A 42 -1.786 -1.811 -3.244 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.074 0.245 -4.887 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.731 1.843 -3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.509 -0.326 -1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.232 0.103 -3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.538 1.488 -1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.790 1.110 -2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.908 -0.207 -1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.252 1.342 -1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.418 2.453 -2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.335 2.016 -1.230 1.00 0.00 H new ATOM 586 N ASN A 43 -0.632 0.994 -5.952 1.00 0.00 N ATOM 587 CA ASN A 43 0.463 1.068 -6.908 1.00 0.00 C ATOM 588 C ASN A 43 1.799 1.208 -6.182 1.00 0.00 C ATOM 589 O ASN A 43 1.862 1.761 -5.084 1.00 0.00 O ATOM 590 CB ASN A 43 0.260 2.254 -7.848 1.00 0.00 C ATOM 591 CG ASN A 43 1.146 2.184 -9.077 1.00 0.00 C ATOM 592 OD1 ASN A 43 2.290 2.622 -9.056 1.00 0.00 O ATOM 593 ND2 ASN A 43 0.615 1.648 -10.161 1.00 0.00 N ATOM 0 H ASN A 43 -1.058 1.892 -5.723 1.00 0.00 H new ATOM 0 HA ASN A 43 0.475 0.147 -7.490 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.784 2.291 -8.159 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.465 3.179 -7.309 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.161 1.588 -11.020 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.341 1.294 -10.139 1.00 0.00 H new ATOM 600 N ARG A 44 2.860 0.714 -6.807 1.00 0.00 N ATOM 601 CA ARG A 44 4.211 0.815 -6.254 1.00 0.00 C ATOM 602 C ARG A 44 4.630 2.285 -6.138 1.00 0.00 C ATOM 603 O ARG A 44 5.491 2.640 -5.335 1.00 0.00 O ATOM 604 CB ARG A 44 5.188 0.072 -7.168 1.00 0.00 C ATOM 605 CG ARG A 44 6.488 -0.350 -6.502 1.00 0.00 C ATOM 606 CD ARG A 44 7.488 -0.836 -7.539 1.00 0.00 C ATOM 607 NE ARG A 44 8.559 -1.641 -6.958 1.00 0.00 N ATOM 608 CZ ARG A 44 9.830 -1.254 -6.885 1.00 0.00 C ATOM 609 NH1 ARG A 44 10.183 -0.013 -7.207 1.00 0.00 N ATOM 610 NH2 ARG A 44 10.752 -2.110 -6.470 1.00 0.00 N ATOM 0 H ARG A 44 2.813 0.234 -7.706 1.00 0.00 H new ATOM 0 HA ARG A 44 4.224 0.368 -5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.693 -0.816 -7.561 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.423 0.710 -8.020 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.909 0.490 -5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.292 -1.142 -5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.966 -1.424 -8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.922 0.024 -8.050 1.00 0.00 H new ATOM 0 HE ARG A 44 8.317 -2.559 -6.584 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.476 0.655 -7.514 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.161 0.271 -7.147 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.486 -3.059 -6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.728 -1.820 -6.412 1.00 0.00 H new ATOM 624 N ASP A 45 4.010 3.124 -6.958 1.00 0.00 N ATOM 625 CA ASP A 45 4.295 4.556 -6.984 1.00 0.00 C ATOM 626 C ASP A 45 3.447 5.307 -5.954 1.00 0.00 C ATOM 627 O ASP A 45 3.777 6.425 -5.555 1.00 0.00 O ATOM 628 CB ASP A 45 4.036 5.100 -8.395 1.00 0.00 C ATOM 629 CG ASP A 45 4.154 6.606 -8.495 1.00 0.00 C ATOM 630 OD1 ASP A 45 5.289 7.120 -8.507 1.00 0.00 O ATOM 631 OD2 ASP A 45 3.107 7.278 -8.583 1.00 0.00 O ATOM 0 H ASP A 45 3.295 2.833 -7.625 1.00 0.00 H new ATOM 0 HA ASP A 45 5.342 4.711 -6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.742 4.642 -9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.038 4.800 -8.713 1.00 0.00 H new ATOM 636 N ASP A 46 2.366 4.680 -5.505 1.00 0.00 N ATOM 637 CA ASP A 46 1.467 5.316 -4.544 1.00 0.00 C ATOM 638 C ASP A 46 2.029 5.220 -3.131 1.00 0.00 C ATOM 639 O ASP A 46 1.788 6.093 -2.295 1.00 0.00 O ATOM 640 CB ASP A 46 0.067 4.692 -4.586 1.00 0.00 C ATOM 641 CG ASP A 46 -0.699 5.024 -5.851 1.00 0.00 C ATOM 642 OD1 ASP A 46 -0.465 6.107 -6.433 1.00 0.00 O ATOM 643 OD2 ASP A 46 -1.549 4.207 -6.266 1.00 0.00 O ATOM 0 H ASP A 46 2.090 3.739 -5.787 1.00 0.00 H new ATOM 0 HA ASP A 46 1.385 6.366 -4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.156 3.609 -4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.503 5.037 -3.723 1.00 0.00 H new ATOM 648 N VAL A 47 2.776 4.157 -2.870 1.00 0.00 N ATOM 649 CA VAL A 47 3.401 3.959 -1.571 1.00 0.00 C ATOM 650 C VAL A 47 4.739 4.693 -1.510 1.00 0.00 C ATOM 651 O VAL A 47 5.493 4.713 -2.483 1.00 0.00 O ATOM 652 CB VAL A 47 3.600 2.453 -1.262 1.00 0.00 C ATOM 653 CG1 VAL A 47 4.498 1.792 -2.295 1.00 0.00 C ATOM 654 CG2 VAL A 47 4.152 2.250 0.140 1.00 0.00 C ATOM 0 H VAL A 47 2.964 3.415 -3.544 1.00 0.00 H new ATOM 0 HA VAL A 47 2.734 4.370 -0.813 1.00 0.00 H new ATOM 0 HB VAL A 47 2.622 1.975 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.618 0.737 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.047 1.887 -3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.474 2.278 -2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.281 1.184 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.114 2.754 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.456 2.666 0.869 1.00 0.00 H new ATOM 664 N SER A 48 5.018 5.315 -0.377 1.00 0.00 N ATOM 665 CA SER A 48 6.250 6.064 -0.207 1.00 0.00 C ATOM 666 C SER A 48 7.198 5.335 0.746 1.00 0.00 C ATOM 667 O SER A 48 8.316 4.975 0.365 1.00 0.00 O ATOM 668 CB SER A 48 5.931 7.476 0.300 1.00 0.00 C ATOM 669 OG SER A 48 7.104 8.187 0.651 1.00 0.00 O ATOM 0 H SER A 48 4.407 5.316 0.439 1.00 0.00 H new ATOM 0 HA SER A 48 6.753 6.147 -1.171 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.390 8.025 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.273 7.411 1.166 1.00 0.00 H new ATOM 0 HG SER A 48 6.862 9.082 0.968 1.00 0.00 H new ATOM 675 N GLN A 49 6.749 5.091 1.973 1.00 0.00 N ATOM 676 CA GLN A 49 7.583 4.438 2.975 1.00 0.00 C ATOM 677 C GLN A 49 6.722 3.642 3.951 1.00 0.00 C ATOM 678 O GLN A 49 5.661 4.101 4.369 1.00 0.00 O ATOM 679 CB GLN A 49 8.410 5.481 3.740 1.00 0.00 C ATOM 680 CG GLN A 49 9.394 4.876 4.730 1.00 0.00 C ATOM 681 CD GLN A 49 10.055 5.905 5.626 1.00 0.00 C ATOM 682 OE1 GLN A 49 10.412 5.612 6.769 1.00 0.00 O ATOM 683 NE2 GLN A 49 10.225 7.117 5.125 1.00 0.00 N ATOM 0 H GLN A 49 5.813 5.335 2.297 1.00 0.00 H new ATOM 0 HA GLN A 49 8.260 3.753 2.465 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.959 6.093 3.024 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.733 6.147 4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.872 4.147 5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.164 4.335 4.181 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.917 7.324 4.175 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.664 7.845 5.689 1.00 0.00 H new ATOM 692 N ILE A 50 7.177 2.445 4.294 1.00 0.00 N ATOM 693 CA ILE A 50 6.492 1.615 5.278 1.00 0.00 C ATOM 694 C ILE A 50 7.481 1.138 6.338 1.00 0.00 C ATOM 695 O ILE A 50 8.614 0.770 6.018 1.00 0.00 O ATOM 696 CB ILE A 50 5.797 0.399 4.628 1.00 0.00 C ATOM 697 CG1 ILE A 50 6.780 -0.391 3.759 1.00 0.00 C ATOM 698 CG2 ILE A 50 4.599 0.853 3.807 1.00 0.00 C ATOM 699 CD1 ILE A 50 6.169 -1.611 3.109 1.00 0.00 C ATOM 0 H ILE A 50 8.021 2.025 3.904 1.00 0.00 H new ATOM 0 HA ILE A 50 5.720 2.229 5.742 1.00 0.00 H new ATOM 0 HB ILE A 50 5.445 -0.260 5.421 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.174 0.265 2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.626 -0.702 4.373 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.118 -0.014 3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.887 1.366 4.454 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.932 1.534 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.924 -2.120 2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.800 -2.288 3.880 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.342 -1.306 2.468 1.00 0.00 H new ATOM 711 N ILE A 51 7.061 1.163 7.594 1.00 0.00 N ATOM 712 CA ILE A 51 7.942 0.828 8.713 1.00 0.00 C ATOM 713 C ILE A 51 7.176 0.106 9.817 1.00 0.00 C ATOM 714 O ILE A 51 7.666 -0.016 10.940 1.00 0.00 O ATOM 715 CB ILE A 51 8.619 2.085 9.316 1.00 0.00 C ATOM 716 CG1 ILE A 51 7.571 3.156 9.642 1.00 0.00 C ATOM 717 CG2 ILE A 51 9.683 2.637 8.374 1.00 0.00 C ATOM 718 CD1 ILE A 51 8.148 4.395 10.294 1.00 0.00 C ATOM 0 H ILE A 51 6.111 1.413 7.869 1.00 0.00 H new ATOM 0 HA ILE A 51 8.714 0.172 8.310 1.00 0.00 H new ATOM 0 HB ILE A 51 9.112 1.794 10.243 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.061 3.444 8.723 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.818 2.726 10.303 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.143 3.519 8.821 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.446 1.878 8.202 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.222 2.910 7.425 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.347 5.107 10.495 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.633 4.121 11.231 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.879 4.850 9.626 1.00 0.00 H new ATOM 730 N GLU A 52 5.977 -0.365 9.485 1.00 0.00 N ATOM 731 CA GLU A 52 5.111 -1.057 10.435 1.00 0.00 C ATOM 732 C GLU A 52 5.856 -2.164 11.182 1.00 0.00 C ATOM 733 O GLU A 52 6.019 -2.104 12.402 1.00 0.00 O ATOM 734 CB GLU A 52 3.896 -1.654 9.715 1.00 0.00 C ATOM 735 CG GLU A 52 2.962 -0.619 9.100 1.00 0.00 C ATOM 736 CD GLU A 52 3.406 -0.116 7.739 1.00 0.00 C ATOM 737 OE1 GLU A 52 4.400 0.635 7.670 1.00 0.00 O ATOM 738 OE2 GLU A 52 2.746 -0.463 6.741 1.00 0.00 O ATOM 0 H GLU A 52 5.579 -0.278 8.550 1.00 0.00 H new ATOM 0 HA GLU A 52 4.778 -0.319 11.165 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.246 -2.323 8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.331 -2.261 10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.966 -1.053 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.879 0.229 9.780 1.00 0.00 H new ATOM 745 N ARG A 53 6.308 -3.172 10.448 1.00 0.00 N ATOM 746 CA ARG A 53 7.029 -4.282 11.048 1.00 0.00 C ATOM 747 C ARG A 53 8.305 -4.553 10.265 1.00 0.00 C ATOM 748 O ARG A 53 8.313 -4.471 9.036 1.00 0.00 O ATOM 749 CB ARG A 53 6.149 -5.535 11.103 1.00 0.00 C ATOM 750 CG ARG A 53 4.829 -5.300 11.824 1.00 0.00 C ATOM 751 CD ARG A 53 4.073 -6.593 12.076 1.00 0.00 C ATOM 752 NE ARG A 53 2.738 -6.345 12.620 1.00 0.00 N ATOM 753 CZ ARG A 53 2.413 -6.456 13.911 1.00 0.00 C ATOM 754 NH1 ARG A 53 3.328 -6.811 14.810 1.00 0.00 N ATOM 755 NH2 ARG A 53 1.169 -6.195 14.307 1.00 0.00 N ATOM 0 H ARG A 53 6.187 -3.242 9.438 1.00 0.00 H new ATOM 0 HA ARG A 53 7.295 -4.016 12.071 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.947 -5.876 10.088 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.694 -6.334 11.605 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.020 -4.802 12.775 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.208 -4.628 11.231 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.988 -7.152 11.144 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.638 -7.215 12.770 1.00 0.00 H new ATOM 0 HE ARG A 53 2.004 -6.068 11.968 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.286 -7.001 14.515 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.071 -6.893 15.794 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.466 -5.911 13.625 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.919 -6.279 15.292 1.00 0.00 H new TER 769 ARG A 53