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 30:sc= -0.387 USER MOD Set 1.2: A 40 MET CE :methyl -114:sc= -2.24! (180deg=-3.12!) USER MOD Set 2.1: A 36 GLN : amide:sc= -0.0914 X(o=0.4,f=0.76) USER MOD Set 2.2: A 38 ASN : amide:sc= 0.49 X(o=0.4,f=0.76) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl -163:sc= -1.57 (180deg=-2.2) USER MOD Single : A 9 THR OG1 : rot -73:sc= 1.14 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -15:sc= 0.124 USER MOD Single : A 31 SER OG : rot 180:sc= -0.828 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0247 F(o=-0.98,f=-0.025) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0306 F(o=-2.5!,f=-0.031) USER MOD Single : A 43 ASN : amide:sc= -0.206 K(o=-0.21,f=-2.9) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 4 -2.291 1.276 15.310 1.00 0.00 N ATOM 2 CA ASP A 4 -0.858 1.043 15.481 1.00 0.00 C ATOM 3 C ASP A 4 -0.084 1.169 14.177 1.00 0.00 C ATOM 4 O ASP A 4 0.945 1.843 14.120 1.00 0.00 O ATOM 5 CB ASP A 4 -0.635 -0.344 16.087 1.00 0.00 C ATOM 6 CG ASP A 4 0.792 -0.563 16.545 1.00 0.00 C ATOM 7 OD1 ASP A 4 1.176 0.007 17.588 1.00 0.00 O ATOM 8 OD2 ASP A 4 1.527 -1.326 15.888 1.00 0.00 O ATOM 0 HA ASP A 4 -0.480 1.814 16.152 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.308 -0.478 16.934 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -0.896 -1.104 15.350 1.00 0.00 H new ATOM 13 N TYR A 5 -0.577 0.530 13.130 1.00 0.00 N ATOM 14 CA TYR A 5 0.117 0.543 11.854 1.00 0.00 C ATOM 15 C TYR A 5 -0.526 1.530 10.889 1.00 0.00 C ATOM 16 O TYR A 5 -1.743 1.530 10.690 1.00 0.00 O ATOM 17 CB TYR A 5 0.134 -0.849 11.227 1.00 0.00 C ATOM 18 CG TYR A 5 0.738 -1.915 12.107 1.00 0.00 C ATOM 19 CD1 TYR A 5 2.097 -2.187 12.068 1.00 0.00 C ATOM 20 CD2 TYR A 5 -0.057 -2.657 12.965 1.00 0.00 C ATOM 21 CE1 TYR A 5 2.646 -3.173 12.865 1.00 0.00 C ATOM 22 CE2 TYR A 5 0.482 -3.644 13.761 1.00 0.00 C ATOM 23 CZ TYR A 5 1.834 -3.898 13.708 1.00 0.00 C ATOM 24 OH TYR A 5 2.374 -4.885 14.503 1.00 0.00 O ATOM 0 H TYR A 5 -1.448 -0.000 13.137 1.00 0.00 H new ATOM 0 HA TYR A 5 1.143 0.858 12.046 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.888 -1.135 10.977 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.691 -0.807 10.291 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.735 -1.621 11.406 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.118 -2.458 13.011 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.706 -3.374 12.827 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.152 -4.215 14.423 1.00 0.00 H new ATOM 0 HH TYR A 5 1.665 -5.299 15.038 1.00 0.00 H new ATOM 34 N VAL A 6 0.305 2.354 10.277 1.00 0.00 N ATOM 35 CA VAL A 6 -0.150 3.324 9.300 1.00 0.00 C ATOM 36 C VAL A 6 0.847 3.392 8.149 1.00 0.00 C ATOM 37 O VAL A 6 2.059 3.462 8.360 1.00 0.00 O ATOM 38 CB VAL A 6 -0.353 4.728 9.930 1.00 0.00 C ATOM 39 CG1 VAL A 6 0.926 5.229 10.581 1.00 0.00 C ATOM 40 CG2 VAL A 6 -0.861 5.723 8.893 1.00 0.00 C ATOM 0 H VAL A 6 1.311 2.369 10.443 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.120 2.999 8.924 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.110 4.636 10.709 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.752 6.214 11.013 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.230 4.537 11.366 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.714 5.296 9.831 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.995 6.699 9.360 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.137 5.805 8.082 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.815 5.378 8.494 1.00 0.00 H new ATOM 50 N MET A 7 0.336 3.320 6.938 1.00 0.00 N ATOM 51 CA MET A 7 1.177 3.359 5.759 1.00 0.00 C ATOM 52 C MET A 7 1.214 4.778 5.212 1.00 0.00 C ATOM 53 O MET A 7 0.182 5.335 4.827 1.00 0.00 O ATOM 54 CB MET A 7 0.663 2.365 4.707 1.00 0.00 C ATOM 55 CG MET A 7 1.583 2.195 3.504 1.00 0.00 C ATOM 56 SD MET A 7 1.360 3.476 2.255 1.00 0.00 S ATOM 57 CE MET A 7 -0.342 3.178 1.774 1.00 0.00 C ATOM 0 H MET A 7 -0.662 3.234 6.743 1.00 0.00 H new ATOM 0 HA MET A 7 2.193 3.064 6.022 1.00 0.00 H new ATOM 0 HB2 MET A 7 0.520 1.394 5.181 1.00 0.00 H new ATOM 0 HB3 MET A 7 -0.315 2.696 4.358 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.619 2.203 3.843 1.00 0.00 H new ATOM 0 HG3 MET A 7 1.403 1.220 3.052 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.542 3.668 0.821 1.00 0.00 H new ATOM 0 HE2 MET A 7 -0.509 2.106 1.673 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.011 3.579 2.535 1.00 0.00 H new ATOM 67 N ALA A 8 2.399 5.365 5.212 1.00 0.00 N ATOM 68 CA ALA A 8 2.584 6.720 4.733 1.00 0.00 C ATOM 69 C ALA A 8 2.943 6.705 3.259 1.00 0.00 C ATOM 70 O ALA A 8 3.876 6.013 2.846 1.00 0.00 O ATOM 71 CB ALA A 8 3.666 7.420 5.540 1.00 0.00 C ATOM 0 H ALA A 8 3.254 4.917 5.542 1.00 0.00 H new ATOM 0 HA ALA A 8 1.652 7.271 4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.795 8.437 5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.375 7.450 6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.605 6.875 5.439 1.00 0.00 H new ATOM 77 N THR A 9 2.199 7.452 2.466 1.00 0.00 N ATOM 78 CA THR A 9 2.447 7.515 1.037 1.00 0.00 C ATOM 79 C THR A 9 3.316 8.714 0.685 1.00 0.00 C ATOM 80 O THR A 9 3.488 9.628 1.494 1.00 0.00 O ATOM 81 CB THR A 9 1.137 7.627 0.248 1.00 0.00 C ATOM 82 OG1 THR A 9 0.402 8.772 0.699 1.00 0.00 O ATOM 83 CG2 THR A 9 0.287 6.376 0.401 1.00 0.00 C ATOM 0 H THR A 9 1.418 8.024 2.786 1.00 0.00 H new ATOM 0 HA THR A 9 2.960 6.592 0.768 1.00 0.00 H new ATOM 0 HB THR A 9 1.384 7.737 -0.808 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.025 8.591 1.585 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.634 6.490 -0.171 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.840 5.513 0.031 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.044 6.227 1.453 1.00 0.00 H new ATOM 91 N LYS A 10 3.853 8.710 -0.528 1.00 0.00 N ATOM 92 CA LYS A 10 4.563 9.868 -1.050 1.00 0.00 C ATOM 93 C LYS A 10 3.535 10.893 -1.514 1.00 0.00 C ATOM 94 O LYS A 10 3.827 12.080 -1.664 1.00 0.00 O ATOM 95 CB LYS A 10 5.487 9.458 -2.203 1.00 0.00 C ATOM 96 CG LYS A 10 6.370 10.584 -2.723 1.00 0.00 C ATOM 97 CD LYS A 10 7.418 10.073 -3.701 1.00 0.00 C ATOM 98 CE LYS A 10 6.782 9.413 -4.916 1.00 0.00 C ATOM 99 NZ LYS A 10 7.794 8.788 -5.808 1.00 0.00 N ATOM 0 H LYS A 10 3.810 7.917 -1.168 1.00 0.00 H new ATOM 0 HA LYS A 10 5.188 10.304 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.122 8.637 -1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.879 9.079 -3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.751 11.335 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.864 11.076 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.048 10.902 -4.025 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.068 9.357 -3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.073 8.654 -4.586 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.215 10.156 -5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.317 8.351 -6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.456 9.516 -6.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.318 8.060 -5.282 1.00 0.00 H new ATOM 113 N ASP A 11 2.312 10.406 -1.714 1.00 0.00 N ATOM 114 CA ASP A 11 1.173 11.252 -2.047 1.00 0.00 C ATOM 115 C ASP A 11 0.881 12.221 -0.907 1.00 0.00 C ATOM 116 O ASP A 11 0.612 13.403 -1.131 1.00 0.00 O ATOM 117 CB ASP A 11 -0.058 10.382 -2.317 1.00 0.00 C ATOM 118 CG ASP A 11 -1.323 11.200 -2.500 1.00 0.00 C ATOM 119 OD1 ASP A 11 -2.016 11.467 -1.497 1.00 0.00 O ATOM 120 OD2 ASP A 11 -1.628 11.581 -3.650 1.00 0.00 O ATOM 0 H ASP A 11 2.085 9.414 -1.649 1.00 0.00 H new ATOM 0 HA ASP A 11 1.412 11.826 -2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.115 9.782 -3.211 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.196 9.687 -1.489 1.00 0.00 H new ATOM 125 N GLY A 12 0.940 11.707 0.314 1.00 0.00 N ATOM 126 CA GLY A 12 0.700 12.527 1.483 1.00 0.00 C ATOM 127 C GLY A 12 -0.369 11.934 2.373 1.00 0.00 C ATOM 128 O GLY A 12 -0.420 12.208 3.571 1.00 0.00 O ATOM 0 H GLY A 12 1.151 10.730 0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.626 12.634 2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.400 13.527 1.170 1.00 0.00 H new ATOM 132 N ARG A 13 -1.221 11.112 1.775 1.00 0.00 N ATOM 133 CA ARG A 13 -2.294 10.450 2.500 1.00 0.00 C ATOM 134 C ARG A 13 -1.747 9.379 3.445 1.00 0.00 C ATOM 135 O ARG A 13 -0.763 8.695 3.135 1.00 0.00 O ATOM 136 CB ARG A 13 -3.289 9.829 1.513 1.00 0.00 C ATOM 137 CG ARG A 13 -2.640 8.908 0.493 1.00 0.00 C ATOM 138 CD ARG A 13 -3.643 8.400 -0.522 1.00 0.00 C ATOM 139 NE ARG A 13 -3.004 7.658 -1.606 1.00 0.00 N ATOM 140 CZ ARG A 13 -3.569 7.451 -2.795 1.00 0.00 C ATOM 141 NH1 ARG A 13 -4.771 7.954 -3.056 1.00 0.00 N ATOM 142 NH2 ARG A 13 -2.922 6.765 -3.728 1.00 0.00 N ATOM 0 H ARG A 13 -1.188 10.887 0.781 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.808 11.198 3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.039 9.268 2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.813 10.627 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.840 9.441 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.181 8.063 1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.369 7.758 -0.023 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.196 9.243 -0.937 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.072 7.277 -1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.261 8.499 -2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.203 7.796 -3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.991 6.395 -3.536 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.356 6.607 -4.638 1.00 0.00 H new ATOM 156 N MET A 14 -2.385 9.256 4.600 1.00 0.00 N ATOM 157 CA MET A 14 -2.013 8.254 5.590 1.00 0.00 C ATOM 158 C MET A 14 -3.096 7.188 5.674 1.00 0.00 C ATOM 159 O MET A 14 -4.250 7.485 5.986 1.00 0.00 O ATOM 160 CB MET A 14 -1.820 8.900 6.966 1.00 0.00 C ATOM 161 CG MET A 14 -0.732 9.962 7.005 1.00 0.00 C ATOM 162 SD MET A 14 0.909 9.303 6.656 1.00 0.00 S ATOM 163 CE MET A 14 1.886 10.806 6.710 1.00 0.00 C ATOM 0 H MET A 14 -3.171 9.844 4.877 1.00 0.00 H new ATOM 0 HA MET A 14 -1.072 7.797 5.284 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.762 9.349 7.281 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.580 8.122 7.691 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.966 10.741 6.280 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.727 10.433 7.988 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.931 10.568 6.513 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.524 11.503 5.954 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.798 11.262 7.696 1.00 0.00 H new ATOM 173 N ILE A 15 -2.733 5.953 5.385 1.00 0.00 N ATOM 174 CA ILE A 15 -3.698 4.864 5.395 1.00 0.00 C ATOM 175 C ILE A 15 -3.456 3.934 6.579 1.00 0.00 C ATOM 176 O ILE A 15 -2.345 3.444 6.771 1.00 0.00 O ATOM 177 CB ILE A 15 -3.640 4.052 4.082 1.00 0.00 C ATOM 178 CG1 ILE A 15 -3.982 4.951 2.888 1.00 0.00 C ATOM 179 CG2 ILE A 15 -4.588 2.861 4.149 1.00 0.00 C ATOM 180 CD1 ILE A 15 -3.902 4.246 1.552 1.00 0.00 C ATOM 0 H ILE A 15 -1.782 5.677 5.141 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.688 5.310 5.488 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.627 3.673 3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.989 5.347 3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.303 5.803 2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.534 2.300 3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.301 2.214 4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.607 3.216 4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.157 4.945 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.889 3.874 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.602 3.410 1.539 1.00 0.00 H new ATOM 192 N LEU A 16 -4.495 3.702 7.375 1.00 0.00 N ATOM 193 CA LEU A 16 -4.396 2.784 8.502 1.00 0.00 C ATOM 194 C LEU A 16 -4.257 1.362 7.985 1.00 0.00 C ATOM 195 O LEU A 16 -4.940 0.968 7.043 1.00 0.00 O ATOM 196 CB LEU A 16 -5.623 2.888 9.422 1.00 0.00 C ATOM 197 CG LEU A 16 -5.749 4.185 10.233 1.00 0.00 C ATOM 198 CD1 LEU A 16 -4.433 4.523 10.915 1.00 0.00 C ATOM 199 CD2 LEU A 16 -6.220 5.336 9.357 1.00 0.00 C ATOM 0 H LEU A 16 -5.411 4.135 7.261 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.517 3.054 9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.520 2.776 8.813 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.603 2.049 10.117 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.501 4.027 11.006 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.545 5.446 11.484 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.154 3.713 11.588 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.656 4.653 10.162 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.300 6.242 9.958 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.503 5.497 8.552 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.195 5.095 8.932 1.00 0.00 H new ATOM 211 N THR A 17 -3.369 0.602 8.594 1.00 0.00 N ATOM 212 CA THR A 17 -3.085 -0.746 8.145 1.00 0.00 C ATOM 213 C THR A 17 -2.875 -1.669 9.338 1.00 0.00 C ATOM 214 O THR A 17 -2.798 -1.207 10.475 1.00 0.00 O ATOM 215 CB THR A 17 -1.816 -0.768 7.250 1.00 0.00 C ATOM 216 OG1 THR A 17 -0.772 0.014 7.853 1.00 0.00 O ATOM 217 CG2 THR A 17 -2.113 -0.241 5.845 1.00 0.00 C ATOM 0 H THR A 17 -2.828 0.898 9.407 1.00 0.00 H new ATOM 0 HA THR A 17 -3.939 -1.095 7.564 1.00 0.00 H new ATOM 0 HB THR A 17 -1.489 -1.804 7.161 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.024 -0.007 7.282 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.203 -0.270 5.246 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.876 -0.863 5.377 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.472 0.786 5.910 1.00 0.00 H new ATOM 225 N ASP A 18 -2.822 -2.968 9.086 1.00 0.00 N ATOM 226 CA ASP A 18 -2.295 -3.900 10.073 1.00 0.00 C ATOM 227 C ASP A 18 -0.801 -4.027 9.812 1.00 0.00 C ATOM 228 O ASP A 18 -0.055 -4.676 10.542 1.00 0.00 O ATOM 229 CB ASP A 18 -2.984 -5.266 9.990 1.00 0.00 C ATOM 230 CG ASP A 18 -2.579 -6.182 11.134 1.00 0.00 C ATOM 231 OD1 ASP A 18 -2.933 -5.889 12.297 1.00 0.00 O ATOM 232 OD2 ASP A 18 -1.900 -7.199 10.882 1.00 0.00 O ATOM 0 H ASP A 18 -3.134 -3.398 8.215 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.484 -3.527 11.079 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.065 -5.127 10.003 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.734 -5.740 9.041 1.00 0.00 H new ATOM 237 N GLY A 19 -0.388 -3.373 8.736 1.00 0.00 N ATOM 238 CA GLY A 19 1.017 -3.244 8.403 1.00 0.00 C ATOM 239 C GLY A 19 1.365 -4.088 7.211 1.00 0.00 C ATOM 240 O GLY A 19 0.457 -4.587 6.536 1.00 0.00 O ATOM 0 H GLY A 19 -1.017 -2.920 8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.251 -2.200 8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.626 -3.544 9.256 1.00 0.00 H new ATOM 244 N LYS A 20 2.658 -4.233 6.915 1.00 0.00 N ATOM 245 CA LYS A 20 3.065 -5.318 6.035 1.00 0.00 C ATOM 246 C LYS A 20 2.649 -5.101 4.582 1.00 0.00 C ATOM 247 O LYS A 20 1.716 -5.741 4.090 1.00 0.00 O ATOM 248 CB LYS A 20 2.573 -6.675 6.546 1.00 0.00 C ATOM 249 CG LYS A 20 3.092 -7.020 7.933 1.00 0.00 C ATOM 250 CD LYS A 20 2.830 -8.471 8.286 1.00 0.00 C ATOM 251 CE LYS A 20 3.195 -8.760 9.731 1.00 0.00 C ATOM 252 NZ LYS A 20 3.048 -10.199 10.060 1.00 0.00 N ATOM 0 H LYS A 20 3.411 -3.637 7.258 1.00 0.00 H new ATOM 0 HA LYS A 20 4.155 -5.320 6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.483 -6.676 6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.881 -7.452 5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.163 -6.822 7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.615 -6.374 8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.778 -8.704 8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.407 -9.118 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.223 -8.448 9.915 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.560 -8.170 10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.306 -10.356 11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.061 -10.491 9.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.673 -10.761 9.447 1.00 0.00 H new ATOM 266 N PRO A 21 3.310 -4.166 3.884 1.00 0.00 N ATOM 267 CA PRO A 21 3.076 -3.932 2.467 1.00 0.00 C ATOM 268 C PRO A 21 3.760 -4.985 1.607 1.00 0.00 C ATOM 269 O PRO A 21 4.983 -4.975 1.451 1.00 0.00 O ATOM 270 CB PRO A 21 3.696 -2.551 2.207 1.00 0.00 C ATOM 271 CG PRO A 21 4.150 -2.043 3.535 1.00 0.00 C ATOM 272 CD PRO A 21 4.315 -3.246 4.417 1.00 0.00 C ATOM 0 HA PRO A 21 2.016 -3.981 2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.532 -2.624 1.511 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.967 -1.875 1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.090 -1.499 3.442 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.421 -1.351 3.956 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.321 -3.662 4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.134 -3.009 5.465 1.00 0.00 H new ATOM 280 N GLU A 22 2.974 -5.896 1.072 1.00 0.00 N ATOM 281 CA GLU A 22 3.496 -6.953 0.229 1.00 0.00 C ATOM 282 C GLU A 22 3.696 -6.428 -1.184 1.00 0.00 C ATOM 283 O GLU A 22 2.732 -6.216 -1.919 1.00 0.00 O ATOM 284 CB GLU A 22 2.541 -8.145 0.233 1.00 0.00 C ATOM 285 CG GLU A 22 3.097 -9.381 -0.448 1.00 0.00 C ATOM 286 CD GLU A 22 2.158 -10.561 -0.346 1.00 0.00 C ATOM 287 OE1 GLU A 22 2.140 -11.221 0.714 1.00 0.00 O ATOM 288 OE2 GLU A 22 1.432 -10.835 -1.321 1.00 0.00 O ATOM 0 H GLU A 22 1.963 -5.926 1.207 1.00 0.00 H new ATOM 0 HA GLU A 22 4.459 -7.285 0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.289 -8.393 1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.613 -7.856 -0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.287 -9.160 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.055 -9.641 0.002 1.00 0.00 H new ATOM 295 N ILE A 23 4.945 -6.194 -1.549 1.00 0.00 N ATOM 296 CA ILE A 23 5.256 -5.615 -2.844 1.00 0.00 C ATOM 297 C ILE A 23 5.194 -6.674 -3.935 1.00 0.00 C ATOM 298 O ILE A 23 6.052 -7.555 -4.015 1.00 0.00 O ATOM 299 CB ILE A 23 6.644 -4.937 -2.860 1.00 0.00 C ATOM 300 CG1 ILE A 23 6.775 -3.979 -1.672 1.00 0.00 C ATOM 301 CG2 ILE A 23 6.844 -4.186 -4.171 1.00 0.00 C ATOM 302 CD1 ILE A 23 8.133 -3.317 -1.566 1.00 0.00 C ATOM 0 H ILE A 23 5.759 -6.396 -0.968 1.00 0.00 H new ATOM 0 HA ILE A 23 4.504 -4.849 -3.036 1.00 0.00 H new ATOM 0 HB ILE A 23 7.414 -5.704 -2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.010 -3.207 -1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.576 -4.528 -0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.825 -3.712 -4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.778 -4.885 -5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.072 -3.423 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.148 -2.654 -0.701 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.902 -4.081 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.328 -2.739 -2.470 1.00 0.00 H new ATOM 314 N ASP A 24 4.157 -6.587 -4.749 1.00 0.00 N ATOM 315 CA ASP A 24 3.946 -7.507 -5.855 1.00 0.00 C ATOM 316 C ASP A 24 4.816 -7.115 -7.046 1.00 0.00 C ATOM 317 O ASP A 24 4.894 -5.941 -7.401 1.00 0.00 O ATOM 318 CB ASP A 24 2.464 -7.498 -6.243 1.00 0.00 C ATOM 319 CG ASP A 24 2.174 -8.269 -7.509 1.00 0.00 C ATOM 320 OD1 ASP A 24 2.361 -7.704 -8.602 1.00 0.00 O ATOM 321 OD2 ASP A 24 1.738 -9.434 -7.417 1.00 0.00 O ATOM 0 H ASP A 24 3.434 -5.873 -4.662 1.00 0.00 H new ATOM 0 HA ASP A 24 4.230 -8.514 -5.548 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.879 -7.921 -5.426 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.135 -6.467 -6.370 1.00 0.00 H new ATOM 326 N ASP A 25 5.473 -8.096 -7.654 1.00 0.00 N ATOM 327 CA ASP A 25 6.365 -7.833 -8.782 1.00 0.00 C ATOM 328 C ASP A 25 5.748 -8.330 -10.093 1.00 0.00 C ATOM 329 O ASP A 25 6.395 -8.347 -11.140 1.00 0.00 O ATOM 330 CB ASP A 25 7.730 -8.492 -8.541 1.00 0.00 C ATOM 331 CG ASP A 25 8.783 -8.044 -9.541 1.00 0.00 C ATOM 332 OD1 ASP A 25 9.099 -6.837 -9.584 1.00 0.00 O ATOM 333 OD2 ASP A 25 9.299 -8.898 -10.294 1.00 0.00 O ATOM 0 H ASP A 25 5.407 -9.078 -7.388 1.00 0.00 H new ATOM 0 HA ASP A 25 6.508 -6.756 -8.866 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.069 -8.256 -7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.621 -9.575 -8.596 1.00 0.00 H new ATOM 338 N ASP A 26 4.484 -8.714 -10.030 1.00 0.00 N ATOM 339 CA ASP A 26 3.756 -9.173 -11.213 1.00 0.00 C ATOM 340 C ASP A 26 3.120 -7.984 -11.929 1.00 0.00 C ATOM 341 O ASP A 26 3.188 -7.867 -13.154 1.00 0.00 O ATOM 342 CB ASP A 26 2.691 -10.198 -10.811 1.00 0.00 C ATOM 343 CG ASP A 26 1.801 -10.620 -11.963 1.00 0.00 C ATOM 344 OD1 ASP A 26 2.314 -11.196 -12.945 1.00 0.00 O ATOM 345 OD2 ASP A 26 0.577 -10.391 -11.879 1.00 0.00 O ATOM 0 H ASP A 26 3.934 -8.719 -9.171 1.00 0.00 H new ATOM 0 HA ASP A 26 4.454 -9.654 -11.898 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.182 -11.079 -10.398 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.073 -9.777 -10.018 1.00 0.00 H new ATOM 350 N THR A 27 2.509 -7.104 -11.151 1.00 0.00 N ATOM 351 CA THR A 27 1.972 -5.857 -11.674 1.00 0.00 C ATOM 352 C THR A 27 2.754 -4.668 -11.124 1.00 0.00 C ATOM 353 O THR A 27 2.710 -3.571 -11.683 1.00 0.00 O ATOM 354 CB THR A 27 0.470 -5.688 -11.337 1.00 0.00 C ATOM 355 OG1 THR A 27 -0.009 -4.414 -11.795 1.00 0.00 O ATOM 356 CG2 THR A 27 0.218 -5.825 -9.842 1.00 0.00 C ATOM 0 H THR A 27 2.372 -7.232 -10.148 1.00 0.00 H new ATOM 0 HA THR A 27 2.074 -5.893 -12.759 1.00 0.00 H new ATOM 0 HB THR A 27 -0.073 -6.481 -11.851 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.753 -3.834 -12.004 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.846 -5.701 -9.639 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.538 -6.812 -9.508 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.781 -5.060 -9.307 1.00 0.00 H new ATOM 364 N GLY A 28 3.469 -4.889 -10.028 1.00 0.00 N ATOM 365 CA GLY A 28 4.243 -3.823 -9.429 1.00 0.00 C ATOM 366 C GLY A 28 3.413 -2.978 -8.488 1.00 0.00 C ATOM 367 O GLY A 28 3.600 -1.765 -8.397 1.00 0.00 O ATOM 0 H GLY A 28 3.526 -5.786 -9.545 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.086 -4.249 -8.885 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.657 -3.190 -10.214 1.00 0.00 H new ATOM 371 N LEU A 29 2.485 -3.619 -7.792 1.00 0.00 N ATOM 372 CA LEU A 29 1.627 -2.919 -6.851 1.00 0.00 C ATOM 373 C LEU A 29 1.932 -3.367 -5.426 1.00 0.00 C ATOM 374 O LEU A 29 2.438 -4.463 -5.203 1.00 0.00 O ATOM 375 CB LEU A 29 0.147 -3.155 -7.178 1.00 0.00 C ATOM 376 CG LEU A 29 -0.299 -2.720 -8.580 1.00 0.00 C ATOM 377 CD1 LEU A 29 -1.811 -2.824 -8.710 1.00 0.00 C ATOM 378 CD2 LEU A 29 0.170 -1.306 -8.887 1.00 0.00 C ATOM 0 H LEU A 29 2.308 -4.621 -7.862 1.00 0.00 H new ATOM 0 HA LEU A 29 1.827 -1.851 -6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.068 -4.217 -7.061 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.458 -2.625 -6.443 1.00 0.00 H new ATOM 0 HG LEU A 29 0.159 -3.390 -9.307 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.113 -2.512 -9.710 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.120 -3.856 -8.543 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.285 -2.179 -7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.159 -1.022 -9.887 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.252 -0.616 -8.156 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.258 -1.265 -8.838 1.00 0.00 H new ATOM 390 N VAL A 30 1.620 -2.513 -4.469 1.00 0.00 N ATOM 391 CA VAL A 30 1.901 -2.790 -3.071 1.00 0.00 C ATOM 392 C VAL A 30 0.634 -3.215 -2.343 1.00 0.00 C ATOM 393 O VAL A 30 -0.290 -2.419 -2.171 1.00 0.00 O ATOM 394 CB VAL A 30 2.497 -1.554 -2.369 1.00 0.00 C ATOM 395 CG1 VAL A 30 2.753 -1.837 -0.900 1.00 0.00 C ATOM 396 CG2 VAL A 30 3.778 -1.107 -3.055 1.00 0.00 C ATOM 0 H VAL A 30 1.168 -1.614 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 30 2.628 -3.601 -3.039 1.00 0.00 H new ATOM 0 HB VAL A 30 1.770 -0.745 -2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.174 -0.950 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.815 -2.099 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.455 -2.666 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.180 -0.233 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.509 -1.915 -3.023 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.565 -0.852 -4.093 1.00 0.00 H new ATOM 406 N SER A 31 0.591 -4.470 -1.926 1.00 0.00 N ATOM 407 CA SER A 31 -0.559 -4.999 -1.214 1.00 0.00 C ATOM 408 C SER A 31 -0.482 -4.652 0.272 1.00 0.00 C ATOM 409 O SER A 31 0.379 -5.151 0.998 1.00 0.00 O ATOM 410 CB SER A 31 -0.635 -6.515 -1.393 1.00 0.00 C ATOM 411 OG SER A 31 -0.568 -6.871 -2.766 1.00 0.00 O ATOM 0 H SER A 31 1.343 -5.143 -2.070 1.00 0.00 H new ATOM 0 HA SER A 31 -1.459 -4.544 -1.629 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.183 -6.990 -0.851 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.564 -6.889 -0.962 1.00 0.00 H new ATOM 0 HG SER A 31 -0.617 -7.846 -2.854 1.00 0.00 H new ATOM 417 N TYR A 32 -1.380 -3.792 0.716 1.00 0.00 N ATOM 418 CA TYR A 32 -1.426 -3.379 2.109 1.00 0.00 C ATOM 419 C TYR A 32 -2.678 -3.938 2.771 1.00 0.00 C ATOM 420 O TYR A 32 -3.706 -4.127 2.117 1.00 0.00 O ATOM 421 CB TYR A 32 -1.386 -1.850 2.227 1.00 0.00 C ATOM 422 CG TYR A 32 -2.578 -1.141 1.609 1.00 0.00 C ATOM 423 CD1 TYR A 32 -2.826 -1.211 0.244 1.00 0.00 C ATOM 424 CD2 TYR A 32 -3.447 -0.389 2.391 1.00 0.00 C ATOM 425 CE1 TYR A 32 -3.902 -0.557 -0.322 1.00 0.00 C ATOM 426 CE2 TYR A 32 -4.526 0.264 1.828 1.00 0.00 C ATOM 427 CZ TYR A 32 -4.747 0.178 0.473 1.00 0.00 C ATOM 428 OH TYR A 32 -5.811 0.842 -0.093 1.00 0.00 O ATOM 0 H TYR A 32 -2.094 -3.362 0.127 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.549 -3.775 2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.325 -1.581 3.281 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.475 -1.485 1.752 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.165 -1.788 -0.386 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.276 -0.314 3.455 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.079 -0.623 -1.385 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.195 0.841 2.450 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.115 0.355 -0.887 1.00 0.00 H new ATOM 438 N HIS A 33 -2.587 -4.213 4.061 1.00 0.00 N ATOM 439 CA HIS A 33 -3.687 -4.832 4.783 1.00 0.00 C ATOM 440 C HIS A 33 -4.432 -3.802 5.620 1.00 0.00 C ATOM 441 O HIS A 33 -3.837 -3.118 6.450 1.00 0.00 O ATOM 442 CB HIS A 33 -3.168 -5.972 5.665 1.00 0.00 C ATOM 443 CG HIS A 33 -2.514 -7.075 4.888 1.00 0.00 C ATOM 444 ND1 HIS A 33 -1.145 -7.224 4.787 1.00 0.00 N ATOM 445 CD2 HIS A 33 -3.053 -8.082 4.160 1.00 0.00 C ATOM 446 CE1 HIS A 33 -0.875 -8.273 4.027 1.00 0.00 C ATOM 447 NE2 HIS A 33 -2.015 -8.810 3.636 1.00 0.00 N ATOM 0 H HIS A 33 -1.763 -4.018 4.630 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.386 -5.246 4.057 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.453 -5.570 6.383 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.998 -6.384 6.239 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.106 -8.276 4.018 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.112 -8.629 3.770 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.109 -9.633 3.041 1.00 0.00 H new ATOM 456 N ASP A 34 -5.734 -3.706 5.379 1.00 0.00 N ATOM 457 CA ASP A 34 -6.606 -2.757 6.072 1.00 0.00 C ATOM 458 C ASP A 34 -6.646 -3.000 7.571 1.00 0.00 C ATOM 459 O ASP A 34 -6.345 -4.094 8.049 1.00 0.00 O ATOM 460 CB ASP A 34 -8.041 -2.879 5.554 1.00 0.00 C ATOM 461 CG ASP A 34 -8.520 -1.674 4.777 1.00 0.00 C ATOM 462 OD1 ASP A 34 -8.093 -0.549 5.092 1.00 0.00 O ATOM 463 OD2 ASP A 34 -9.354 -1.853 3.868 1.00 0.00 O ATOM 0 H ASP A 34 -6.220 -4.286 4.695 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.195 -1.766 5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.113 -3.761 4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.709 -3.042 6.400 1.00 0.00 H new ATOM 468 N GLN A 35 -7.066 -1.975 8.299 1.00 0.00 N ATOM 469 CA GLN A 35 -7.388 -2.111 9.711 1.00 0.00 C ATOM 470 C GLN A 35 -8.723 -2.844 9.833 1.00 0.00 C ATOM 471 O GLN A 35 -9.095 -3.341 10.896 1.00 0.00 O ATOM 472 CB GLN A 35 -7.459 -0.724 10.368 1.00 0.00 C ATOM 473 CG GLN A 35 -7.697 -0.744 11.872 1.00 0.00 C ATOM 474 CD GLN A 35 -6.556 -1.376 12.654 1.00 0.00 C ATOM 475 OE1 GLN A 35 -5.338 -1.244 12.151 1.00 0.00 O flip ATOM 476 NE2 GLN A 35 -6.769 -1.968 13.713 1.00 0.00 N flip ATOM 0 H GLN A 35 -7.192 -1.032 7.930 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.615 -2.683 10.224 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.528 -0.194 10.168 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.258 -0.153 9.895 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.847 0.277 12.223 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.617 -1.290 12.080 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.721 -2.049 14.069 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.993 -2.377 14.234 1.00 0.00 H new ATOM 485 N GLN A 36 -9.431 -2.913 8.706 1.00 0.00 N ATOM 486 CA GLN A 36 -10.695 -3.631 8.617 1.00 0.00 C ATOM 487 C GLN A 36 -10.449 -5.113 8.332 1.00 0.00 C ATOM 488 O GLN A 36 -11.380 -5.920 8.331 1.00 0.00 O ATOM 489 CB GLN A 36 -11.568 -3.036 7.506 1.00 0.00 C ATOM 490 CG GLN A 36 -11.791 -1.539 7.632 1.00 0.00 C ATOM 491 CD GLN A 36 -12.648 -0.970 6.517 1.00 0.00 C ATOM 492 OE1 GLN A 36 -12.653 -1.476 5.394 1.00 0.00 O ATOM 493 NE2 GLN A 36 -13.382 0.087 6.819 1.00 0.00 N ATOM 0 H GLN A 36 -9.142 -2.473 7.832 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.211 -3.532 9.572 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.104 -3.244 6.542 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.535 -3.539 7.509 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.265 -1.328 8.591 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.826 -1.033 7.635 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.351 0.477 7.761 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.980 0.512 6.110 1.00 0.00 H new ATOM 502 N GLY A 37 -9.189 -5.464 8.093 1.00 0.00 N ATOM 503 CA GLY A 37 -8.847 -6.838 7.766 1.00 0.00 C ATOM 504 C GLY A 37 -9.005 -7.126 6.286 1.00 0.00 C ATOM 505 O GLY A 37 -9.395 -8.224 5.896 1.00 0.00 O ATOM 0 H GLY A 37 -8.397 -4.821 8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.818 -7.037 8.066 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.482 -7.515 8.337 1.00 0.00 H new ATOM 509 N ASN A 38 -8.704 -6.130 5.463 1.00 0.00 N ATOM 510 CA ASN A 38 -8.817 -6.265 4.013 1.00 0.00 C ATOM 511 C ASN A 38 -7.434 -6.336 3.386 1.00 0.00 C ATOM 512 O ASN A 38 -6.447 -5.944 4.007 1.00 0.00 O ATOM 513 CB ASN A 38 -9.564 -5.070 3.416 1.00 0.00 C ATOM 514 CG ASN A 38 -10.983 -4.930 3.928 1.00 0.00 C ATOM 515 OD1 ASN A 38 -11.683 -5.917 4.142 1.00 0.00 O ATOM 516 ND2 ASN A 38 -11.405 -3.697 4.157 1.00 0.00 N ATOM 0 H ASN A 38 -8.378 -5.215 5.775 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.370 -7.180 3.802 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.013 -4.157 3.641 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.585 -5.170 2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.343 -3.539 4.525 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.792 -2.904 3.966 1.00 0.00 H new ATOM 523 N ALA A 39 -7.365 -6.822 2.158 1.00 0.00 N ATOM 524 CA ALA A 39 -6.120 -6.820 1.409 1.00 0.00 C ATOM 525 C ALA A 39 -6.295 -6.048 0.111 1.00 0.00 C ATOM 526 O ALA A 39 -6.972 -6.504 -0.810 1.00 0.00 O ATOM 527 CB ALA A 39 -5.651 -8.239 1.131 1.00 0.00 C ATOM 0 H ALA A 39 -8.158 -7.224 1.658 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.355 -6.328 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.717 -8.210 0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.491 -8.761 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.408 -8.765 0.550 1.00 0.00 H new ATOM 533 N MET A 40 -5.708 -4.865 0.053 1.00 0.00 N ATOM 534 CA MET A 40 -5.825 -4.009 -1.119 1.00 0.00 C ATOM 535 C MET A 40 -4.443 -3.701 -1.675 1.00 0.00 C ATOM 536 O MET A 40 -3.441 -4.020 -1.043 1.00 0.00 O ATOM 537 CB MET A 40 -6.575 -2.719 -0.771 1.00 0.00 C ATOM 538 CG MET A 40 -7.996 -2.968 -0.292 1.00 0.00 C ATOM 539 SD MET A 40 -8.957 -1.455 -0.076 1.00 0.00 S ATOM 540 CE MET A 40 -8.111 -0.698 1.309 1.00 0.00 C ATOM 0 H MET A 40 -5.143 -4.473 0.806 1.00 0.00 H new ATOM 0 HA MET A 40 -6.398 -4.533 -1.884 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.025 -2.183 0.003 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.601 -2.073 -1.648 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.505 -3.613 -1.008 1.00 0.00 H new ATOM 0 HG3 MET A 40 -7.963 -3.507 0.655 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.777 -0.670 2.171 1.00 0.00 H new ATOM 0 HE2 MET A 40 -7.223 -1.280 1.555 1.00 0.00 H new ATOM 0 HE3 MET A 40 -7.817 0.318 1.045 1.00 0.00 H new ATOM 550 N GLN A 41 -4.381 -3.085 -2.848 1.00 0.00 N ATOM 551 CA GLN A 41 -3.100 -2.837 -3.500 1.00 0.00 C ATOM 552 C GLN A 41 -2.991 -1.392 -3.980 1.00 0.00 C ATOM 553 O GLN A 41 -3.894 -0.880 -4.644 1.00 0.00 O ATOM 554 CB GLN A 41 -2.913 -3.795 -4.684 1.00 0.00 C ATOM 555 CG GLN A 41 -2.917 -5.265 -4.287 1.00 0.00 C ATOM 556 CD GLN A 41 -2.707 -6.203 -5.461 1.00 0.00 C ATOM 557 OE1 GLN A 41 -1.962 -5.754 -6.459 1.00 0.00 O flip ATOM 558 NE2 GLN A 41 -3.205 -7.330 -5.468 1.00 0.00 N flip ATOM 0 H GLN A 41 -5.194 -2.750 -3.365 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.313 -3.012 -2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.708 -3.621 -5.410 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.971 -3.564 -5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.134 -5.437 -3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.866 -5.502 -3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.774 -7.641 -4.680 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.049 -7.952 -6.261 1.00 0.00 H new ATOM 567 N ILE A 42 -1.892 -0.735 -3.627 1.00 0.00 N ATOM 568 CA ILE A 42 -1.608 0.609 -4.118 1.00 0.00 C ATOM 569 C ILE A 42 -0.465 0.555 -5.119 1.00 0.00 C ATOM 570 O ILE A 42 0.053 -0.518 -5.422 1.00 0.00 O ATOM 571 CB ILE A 42 -1.220 1.607 -3.005 1.00 0.00 C ATOM 572 CG1 ILE A 42 0.106 1.210 -2.364 1.00 0.00 C ATOM 573 CG2 ILE A 42 -2.309 1.708 -1.950 1.00 0.00 C ATOM 574 CD1 ILE A 42 0.824 2.381 -1.742 1.00 0.00 C ATOM 0 H ILE A 42 -1.181 -1.112 -3.001 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.532 0.964 -4.574 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.105 2.588 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.076 0.453 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.748 0.754 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.006 2.418 -1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.235 2.049 -2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.469 0.729 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.761 2.041 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.034 3.128 -2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.197 2.822 -0.967 1.00 0.00 H new ATOM 586 N ASN A 43 -0.065 1.708 -5.620 1.00 0.00 N ATOM 587 CA ASN A 43 1.013 1.780 -6.593 1.00 0.00 C ATOM 588 C ASN A 43 2.377 1.800 -5.896 1.00 0.00 C ATOM 589 O ASN A 43 2.510 2.321 -4.788 1.00 0.00 O ATOM 590 CB ASN A 43 0.837 3.019 -7.464 1.00 0.00 C ATOM 591 CG ASN A 43 1.850 3.095 -8.589 1.00 0.00 C ATOM 592 OD1 ASN A 43 2.384 2.080 -9.037 1.00 0.00 O ATOM 593 ND2 ASN A 43 2.096 4.293 -9.070 1.00 0.00 N ATOM 0 H ASN A 43 -0.470 2.610 -5.370 1.00 0.00 H new ATOM 0 HA ASN A 43 0.975 0.893 -7.225 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.168 3.021 -7.886 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.924 3.910 -6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.751 4.407 -9.844 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.632 5.108 -8.670 1.00 0.00 H new ATOM 600 N ARG A 44 3.385 1.243 -6.559 1.00 0.00 N ATOM 601 CA ARG A 44 4.720 1.103 -5.979 1.00 0.00 C ATOM 602 C ARG A 44 5.365 2.451 -5.668 1.00 0.00 C ATOM 603 O ARG A 44 5.985 2.613 -4.622 1.00 0.00 O ATOM 604 CB ARG A 44 5.621 0.306 -6.923 1.00 0.00 C ATOM 605 CG ARG A 44 7.080 0.269 -6.497 1.00 0.00 C ATOM 606 CD ARG A 44 7.955 -0.391 -7.551 1.00 0.00 C ATOM 607 NE ARG A 44 7.704 0.152 -8.888 1.00 0.00 N ATOM 608 CZ ARG A 44 8.518 0.993 -9.525 1.00 0.00 C ATOM 609 NH1 ARG A 44 9.607 1.467 -8.921 1.00 0.00 N ATOM 610 NH2 ARG A 44 8.224 1.380 -10.762 1.00 0.00 N ATOM 0 H ARG A 44 3.303 0.877 -7.508 1.00 0.00 H new ATOM 0 HA ARG A 44 4.605 0.570 -5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.246 -0.715 -6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.555 0.737 -7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.432 1.284 -6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.171 -0.274 -5.556 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.004 -0.249 -7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.771 -1.465 -7.555 1.00 0.00 H new ATOM 0 HE ARG A 44 6.848 -0.133 -9.364 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.823 1.186 -7.964 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.225 2.110 -9.415 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.380 1.033 -11.218 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.843 2.024 -11.256 1.00 0.00 H new ATOM 624 N ASP A 45 5.233 3.417 -6.562 1.00 0.00 N ATOM 625 CA ASP A 45 5.858 4.716 -6.337 1.00 0.00 C ATOM 626 C ASP A 45 4.916 5.645 -5.579 1.00 0.00 C ATOM 627 O ASP A 45 5.237 6.806 -5.333 1.00 0.00 O ATOM 628 CB ASP A 45 6.311 5.359 -7.653 1.00 0.00 C ATOM 629 CG ASP A 45 5.164 5.817 -8.527 1.00 0.00 C ATOM 630 OD1 ASP A 45 4.678 5.012 -9.344 1.00 0.00 O ATOM 631 OD2 ASP A 45 4.764 6.993 -8.418 1.00 0.00 O ATOM 0 H ASP A 45 4.711 3.334 -7.434 1.00 0.00 H new ATOM 0 HA ASP A 45 6.746 4.552 -5.727 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.951 6.213 -7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.917 4.643 -8.208 1.00 0.00 H new ATOM 636 N ASP A 46 3.761 5.120 -5.188 1.00 0.00 N ATOM 637 CA ASP A 46 2.807 5.882 -4.391 1.00 0.00 C ATOM 638 C ASP A 46 3.121 5.708 -2.908 1.00 0.00 C ATOM 639 O ASP A 46 2.983 6.639 -2.114 1.00 0.00 O ATOM 640 CB ASP A 46 1.374 5.428 -4.691 1.00 0.00 C ATOM 641 CG ASP A 46 0.330 6.289 -4.006 1.00 0.00 C ATOM 642 OD1 ASP A 46 0.289 7.504 -4.283 1.00 0.00 O ATOM 643 OD2 ASP A 46 -0.477 5.748 -3.220 1.00 0.00 O ATOM 0 H ASP A 46 3.462 4.170 -5.410 1.00 0.00 H new ATOM 0 HA ASP A 46 2.892 6.937 -4.651 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.208 5.451 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.251 4.393 -4.372 1.00 0.00 H new ATOM 648 N VAL A 47 3.581 4.514 -2.555 1.00 0.00 N ATOM 649 CA VAL A 47 3.946 4.202 -1.180 1.00 0.00 C ATOM 650 C VAL A 47 5.248 4.911 -0.803 1.00 0.00 C ATOM 651 O VAL A 47 6.114 5.131 -1.652 1.00 0.00 O ATOM 652 CB VAL A 47 4.099 2.671 -0.979 1.00 0.00 C ATOM 653 CG1 VAL A 47 5.280 2.126 -1.763 1.00 0.00 C ATOM 654 CG2 VAL A 47 4.230 2.310 0.490 1.00 0.00 C ATOM 0 H VAL A 47 3.711 3.741 -3.208 1.00 0.00 H new ATOM 0 HA VAL A 47 3.146 4.556 -0.530 1.00 0.00 H new ATOM 0 HB VAL A 47 3.190 2.207 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.360 1.051 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.134 2.323 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.196 2.612 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.335 1.230 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.109 2.801 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.340 2.640 1.026 1.00 0.00 H new ATOM 664 N SER A 48 5.372 5.294 0.458 1.00 0.00 N ATOM 665 CA SER A 48 6.585 5.929 0.935 1.00 0.00 C ATOM 666 C SER A 48 7.241 5.070 2.014 1.00 0.00 C ATOM 667 O SER A 48 8.216 4.365 1.744 1.00 0.00 O ATOM 668 CB SER A 48 6.278 7.339 1.454 1.00 0.00 C ATOM 669 OG SER A 48 7.414 7.940 2.056 1.00 0.00 O ATOM 0 H SER A 48 4.648 5.176 1.166 1.00 0.00 H new ATOM 0 HA SER A 48 7.287 6.023 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.932 7.962 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.466 7.290 2.179 1.00 0.00 H new ATOM 0 HG SER A 48 7.180 8.837 2.373 1.00 0.00 H new ATOM 675 N GLN A 49 6.694 5.099 3.226 1.00 0.00 N ATOM 676 CA GLN A 49 7.278 4.365 4.345 1.00 0.00 C ATOM 677 C GLN A 49 6.189 3.859 5.282 1.00 0.00 C ATOM 678 O GLN A 49 5.106 4.438 5.356 1.00 0.00 O ATOM 679 CB GLN A 49 8.259 5.255 5.127 1.00 0.00 C ATOM 680 CG GLN A 49 9.399 5.806 4.283 1.00 0.00 C ATOM 681 CD GLN A 49 10.387 6.644 5.073 1.00 0.00 C ATOM 682 OE1 GLN A 49 10.589 6.305 6.338 1.00 0.00 O flip ATOM 683 NE2 GLN A 49 10.977 7.584 4.541 1.00 0.00 N flip ATOM 0 H GLN A 49 5.849 5.621 3.458 1.00 0.00 H new ATOM 0 HA GLN A 49 7.821 3.512 3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.709 6.088 5.565 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.677 4.680 5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.930 4.976 3.817 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.984 6.411 3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.794 7.814 3.564 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.649 8.133 5.077 1.00 0.00 H new ATOM 692 N ILE A 50 6.470 2.769 5.981 1.00 0.00 N ATOM 693 CA ILE A 50 5.561 2.264 6.999 1.00 0.00 C ATOM 694 C ILE A 50 5.773 3.059 8.277 1.00 0.00 C ATOM 695 O ILE A 50 6.766 2.853 8.973 1.00 0.00 O ATOM 696 CB ILE A 50 5.769 0.757 7.295 1.00 0.00 C ATOM 697 CG1 ILE A 50 5.645 -0.090 6.018 1.00 0.00 C ATOM 698 CG2 ILE A 50 4.765 0.278 8.334 1.00 0.00 C ATOM 699 CD1 ILE A 50 6.886 -0.099 5.148 1.00 0.00 C ATOM 0 H ILE A 50 7.320 2.218 5.862 1.00 0.00 H new ATOM 0 HA ILE A 50 4.544 2.380 6.623 1.00 0.00 H new ATOM 0 HB ILE A 50 6.779 0.634 7.687 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.406 -1.116 6.299 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.807 0.283 5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.924 -0.782 8.531 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.899 0.843 9.257 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.753 0.430 7.959 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.710 -0.720 4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.116 0.919 4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.725 -0.502 5.715 1.00 0.00 H new ATOM 711 N ILE A 51 4.838 3.967 8.554 1.00 0.00 N ATOM 712 CA ILE A 51 4.958 4.960 9.625 1.00 0.00 C ATOM 713 C ILE A 51 6.161 5.886 9.378 1.00 0.00 C ATOM 714 O ILE A 51 7.050 5.589 8.573 1.00 0.00 O ATOM 715 CB ILE A 51 5.014 4.321 11.047 1.00 0.00 C ATOM 716 CG1 ILE A 51 4.238 5.191 12.040 1.00 0.00 C ATOM 717 CG2 ILE A 51 6.446 4.140 11.535 1.00 0.00 C ATOM 718 CD1 ILE A 51 4.150 4.601 13.432 1.00 0.00 C ATOM 0 H ILE A 51 3.963 4.036 8.034 1.00 0.00 H new ATOM 0 HA ILE A 51 4.048 5.560 9.600 1.00 0.00 H new ATOM 0 HB ILE A 51 4.557 3.333 10.981 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.714 6.170 12.100 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.229 5.350 11.658 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.438 3.692 12.529 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.985 3.488 10.848 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.941 5.110 11.578 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.586 5.274 14.078 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.647 3.635 13.387 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.154 4.468 13.835 1.00 0.00 H new ATOM 730 N GLU A 52 6.176 7.024 10.047 1.00 0.00 N ATOM 731 CA GLU A 52 7.205 8.022 9.811 1.00 0.00 C ATOM 732 C GLU A 52 8.534 7.623 10.440 1.00 0.00 C ATOM 733 O GLU A 52 8.683 7.625 11.661 1.00 0.00 O ATOM 734 CB GLU A 52 6.748 9.383 10.326 1.00 0.00 C ATOM 735 CG GLU A 52 5.554 9.930 9.566 1.00 0.00 C ATOM 736 CD GLU A 52 5.024 11.217 10.153 1.00 0.00 C ATOM 737 OE1 GLU A 52 5.568 12.294 9.828 1.00 0.00 O ATOM 738 OE2 GLU A 52 4.060 11.161 10.944 1.00 0.00 O ATOM 0 H GLU A 52 5.490 7.281 10.757 1.00 0.00 H new ATOM 0 HA GLU A 52 7.365 8.089 8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.493 9.299 11.382 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.574 10.090 10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.837 10.100 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.759 9.184 9.562 1.00 0.00 H new ATOM 745 N ARG A 53 9.483 7.257 9.571 1.00 0.00 N ATOM 746 CA ARG A 53 10.870 6.963 9.958 1.00 0.00 C ATOM 747 C ARG A 53 10.974 5.682 10.785 1.00 0.00 C ATOM 748 O ARG A 53 12.018 5.419 11.390 1.00 0.00 O ATOM 749 CB ARG A 53 11.479 8.134 10.737 1.00 0.00 C ATOM 750 CG ARG A 53 11.315 9.478 10.049 1.00 0.00 C ATOM 751 CD ARG A 53 11.964 10.595 10.846 1.00 0.00 C ATOM 752 NE ARG A 53 11.506 11.914 10.409 1.00 0.00 N ATOM 753 CZ ARG A 53 12.247 13.018 10.456 1.00 0.00 C ATOM 754 NH1 ARG A 53 13.520 12.960 10.828 1.00 0.00 N ATOM 755 NH2 ARG A 53 11.709 14.178 10.102 1.00 0.00 N ATOM 0 H ARG A 53 9.310 7.155 8.571 1.00 0.00 H new ATOM 0 HA ARG A 53 11.431 6.815 9.035 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.017 8.182 11.723 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.541 7.942 10.892 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.758 9.435 9.054 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.255 9.693 9.917 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.738 10.464 11.904 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.047 10.534 10.741 1.00 0.00 H new ATOM 0 HE ARG A 53 10.557 11.992 10.044 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.937 12.064 11.081 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.081 13.811 10.861 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.736 14.217 9.798 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.268 15.030 10.134 1.00 0.00 H new TER 769 ARG A 53