USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=15 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= -0.153 USER MOD Set 1.2: A 40 MET CE :methyl -138:sc= -1 (180deg=-2.35!) USER MOD Set 2.1: A 31 SER OG : rot 81:sc= -1.01 USER MOD Set 2.2: A 41 GLN :FLIP amide:sc= 0.0425 F(o=-2,f=-0.97) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 140:sc= -0.316 (180deg=-1.2) USER MOD Single : A 9 THR OG1 : rot -70:sc= 0.655 USER MOD Single : A 10 LYS NZ :NH3+ -108:sc= 1.87 (180deg=-0.687) USER MOD Single : A 14 MET CE :methyl -132:sc= -0.255 (180deg=-0.724) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.488 USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -1.55 (180deg=-2.26!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 35 GLN :FLIP amide:sc=-0.00896 F(o=-2,f=-0.009) USER MOD Single : A 36 GLN : amide:sc= -0.627 K(o=-0.63,f=-5.4!) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.657 F(o=-1.2,f=-0.66) USER MOD Single : A 43 ASN : amide:sc= -0.568 K(o=-0.57,f=-1.1) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0134 K(o=-0.013,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 4 0.160 -1.128 14.987 1.00 0.00 N ATOM 2 CA ASP A 4 1.454 -1.780 14.812 1.00 0.00 C ATOM 3 C ASP A 4 2.148 -1.324 13.531 1.00 0.00 C ATOM 4 O ASP A 4 3.368 -1.168 13.509 1.00 0.00 O ATOM 5 CB ASP A 4 1.319 -3.314 14.840 1.00 0.00 C ATOM 6 CG ASP A 4 0.423 -3.873 13.750 1.00 0.00 C ATOM 7 OD1 ASP A 4 0.908 -4.081 12.625 1.00 0.00 O ATOM 8 OD2 ASP A 4 -0.771 -4.123 14.030 1.00 0.00 O ATOM 0 HA ASP A 4 2.078 -1.479 15.654 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.310 -3.758 14.745 1.00 0.00 H new ATOM 0 HB3 ASP A 4 0.926 -3.617 15.811 1.00 0.00 H new ATOM 13 N TYR A 5 1.383 -1.096 12.472 1.00 0.00 N ATOM 14 CA TYR A 5 1.962 -0.665 11.207 1.00 0.00 C ATOM 15 C TYR A 5 1.140 0.442 10.561 1.00 0.00 C ATOM 16 O TYR A 5 -0.088 0.380 10.506 1.00 0.00 O ATOM 17 CB TYR A 5 2.110 -1.846 10.241 1.00 0.00 C ATOM 18 CG TYR A 5 3.444 -2.555 10.351 1.00 0.00 C ATOM 19 CD1 TYR A 5 3.687 -3.478 11.360 1.00 0.00 C ATOM 20 CD2 TYR A 5 4.463 -2.284 9.450 1.00 0.00 C ATOM 21 CE1 TYR A 5 4.910 -4.114 11.468 1.00 0.00 C ATOM 22 CE2 TYR A 5 5.687 -2.917 9.548 1.00 0.00 C ATOM 23 CZ TYR A 5 5.907 -3.828 10.560 1.00 0.00 C ATOM 24 OH TYR A 5 7.130 -4.454 10.663 1.00 0.00 O ATOM 0 H TYR A 5 0.368 -1.201 12.463 1.00 0.00 H new ATOM 0 HA TYR A 5 2.952 -0.265 11.426 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.310 -2.562 10.431 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.981 -1.488 9.220 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.907 -3.703 12.073 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.297 -1.567 8.660 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.083 -4.830 12.258 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.469 -2.699 8.835 1.00 0.00 H new ATOM 0 HH TYR A 5 7.719 -4.141 9.945 1.00 0.00 H new ATOM 34 N VAL A 6 1.833 1.452 10.058 1.00 0.00 N ATOM 35 CA VAL A 6 1.200 2.580 9.395 1.00 0.00 C ATOM 36 C VAL A 6 1.955 2.889 8.109 1.00 0.00 C ATOM 37 O VAL A 6 3.185 2.896 8.099 1.00 0.00 O ATOM 38 CB VAL A 6 1.185 3.844 10.291 1.00 0.00 C ATOM 39 CG1 VAL A 6 0.410 4.972 9.626 1.00 0.00 C ATOM 40 CG2 VAL A 6 0.610 3.538 11.668 1.00 0.00 C ATOM 0 H VAL A 6 2.850 1.512 10.098 1.00 0.00 H new ATOM 0 HA VAL A 6 0.166 2.308 9.182 1.00 0.00 H new ATOM 0 HB VAL A 6 2.217 4.168 10.422 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.414 5.848 10.275 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.878 5.223 8.674 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.618 4.654 9.452 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.613 4.445 12.273 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.412 3.175 11.563 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.218 2.775 12.155 1.00 0.00 H new ATOM 50 N MET A 7 1.231 3.124 7.030 1.00 0.00 N ATOM 51 CA MET A 7 1.855 3.397 5.745 1.00 0.00 C ATOM 52 C MET A 7 1.466 4.777 5.226 1.00 0.00 C ATOM 53 O MET A 7 0.294 5.051 4.956 1.00 0.00 O ATOM 54 CB MET A 7 1.467 2.320 4.729 1.00 0.00 C ATOM 55 CG MET A 7 2.098 2.519 3.356 1.00 0.00 C ATOM 56 SD MET A 7 1.722 1.178 2.206 1.00 0.00 S ATOM 57 CE MET A 7 -0.067 1.251 2.167 1.00 0.00 C ATOM 0 H MET A 7 0.211 3.132 7.016 1.00 0.00 H new ATOM 0 HA MET A 7 2.936 3.381 5.884 1.00 0.00 H new ATOM 0 HB2 MET A 7 1.761 1.344 5.116 1.00 0.00 H new ATOM 0 HB3 MET A 7 0.382 2.307 4.622 1.00 0.00 H new ATOM 0 HG2 MET A 7 1.748 3.461 2.934 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.179 2.602 3.468 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.416 1.089 1.147 1.00 0.00 H new ATOM 0 HE2 MET A 7 -0.477 0.478 2.818 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.399 2.230 2.513 1.00 0.00 H new ATOM 67 N ALA A 8 2.458 5.641 5.100 1.00 0.00 N ATOM 68 CA ALA A 8 2.263 6.954 4.512 1.00 0.00 C ATOM 69 C ALA A 8 2.492 6.868 3.012 1.00 0.00 C ATOM 70 O ALA A 8 3.485 6.291 2.563 1.00 0.00 O ATOM 71 CB ALA A 8 3.204 7.973 5.142 1.00 0.00 C ATOM 0 H ALA A 8 3.415 5.454 5.400 1.00 0.00 H new ATOM 0 HA ALA A 8 1.242 7.284 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.041 8.950 4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.009 8.035 6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.237 7.665 4.978 1.00 0.00 H new ATOM 77 N THR A 9 1.579 7.424 2.237 1.00 0.00 N ATOM 78 CA THR A 9 1.658 7.304 0.793 1.00 0.00 C ATOM 79 C THR A 9 2.147 8.588 0.133 1.00 0.00 C ATOM 80 O THR A 9 2.199 9.645 0.763 1.00 0.00 O ATOM 81 CB THR A 9 0.300 6.923 0.196 1.00 0.00 C ATOM 82 OG1 THR A 9 -0.697 7.849 0.642 1.00 0.00 O ATOM 83 CG2 THR A 9 -0.095 5.508 0.591 1.00 0.00 C ATOM 0 H THR A 9 0.781 7.959 2.579 1.00 0.00 H new ATOM 0 HA THR A 9 2.382 6.515 0.592 1.00 0.00 H new ATOM 0 HB THR A 9 0.378 6.962 -0.890 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.869 7.710 1.597 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.063 5.265 0.153 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.655 4.806 0.227 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.160 5.438 1.677 1.00 0.00 H new ATOM 91 N LYS A 10 2.494 8.468 -1.147 1.00 0.00 N ATOM 92 CA LYS A 10 2.993 9.579 -1.955 1.00 0.00 C ATOM 93 C LYS A 10 2.023 10.758 -1.947 1.00 0.00 C ATOM 94 O LYS A 10 2.436 11.914 -1.869 1.00 0.00 O ATOM 95 CB LYS A 10 3.186 9.096 -3.392 1.00 0.00 C ATOM 96 CG LYS A 10 3.932 10.069 -4.294 1.00 0.00 C ATOM 97 CD LYS A 10 4.239 9.432 -5.641 1.00 0.00 C ATOM 98 CE LYS A 10 2.960 9.056 -6.372 1.00 0.00 C ATOM 99 NZ LYS A 10 3.198 8.091 -7.478 1.00 0.00 N ATOM 0 H LYS A 10 2.436 7.587 -1.658 1.00 0.00 H new ATOM 0 HA LYS A 10 3.938 9.917 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.728 8.150 -3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.208 8.895 -3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.333 10.968 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.860 10.379 -3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.820 10.124 -6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.853 8.543 -5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.254 8.624 -5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.497 9.957 -6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.087 8.576 -8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.162 7.709 -7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.511 7.313 -7.413 1.00 0.00 H new ATOM 113 N ASP A 11 0.731 10.450 -2.028 1.00 0.00 N ATOM 114 CA ASP A 11 -0.302 11.479 -2.109 1.00 0.00 C ATOM 115 C ASP A 11 -0.377 12.276 -0.811 1.00 0.00 C ATOM 116 O ASP A 11 -0.750 13.445 -0.807 1.00 0.00 O ATOM 117 CB ASP A 11 -1.660 10.841 -2.404 1.00 0.00 C ATOM 118 CG ASP A 11 -2.632 11.802 -3.069 1.00 0.00 C ATOM 119 OD1 ASP A 11 -3.104 12.751 -2.405 1.00 0.00 O ATOM 120 OD2 ASP A 11 -2.937 11.600 -4.263 1.00 0.00 O ATOM 0 H ASP A 11 0.374 9.495 -2.039 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.041 12.160 -2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.516 9.974 -3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.095 10.478 -1.473 1.00 0.00 H new ATOM 125 N GLY A 12 -0.003 11.642 0.291 1.00 0.00 N ATOM 126 CA GLY A 12 -0.035 12.318 1.571 1.00 0.00 C ATOM 127 C GLY A 12 -1.170 11.844 2.454 1.00 0.00 C ATOM 128 O GLY A 12 -1.549 12.525 3.408 1.00 0.00 O ATOM 0 H GLY A 12 0.321 10.675 0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.912 12.157 2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.131 13.391 1.408 1.00 0.00 H new ATOM 132 N ARG A 13 -1.725 10.686 2.142 1.00 0.00 N ATOM 133 CA ARG A 13 -2.773 10.110 2.970 1.00 0.00 C ATOM 134 C ARG A 13 -2.207 8.970 3.806 1.00 0.00 C ATOM 135 O ARG A 13 -1.386 8.179 3.324 1.00 0.00 O ATOM 136 CB ARG A 13 -3.960 9.643 2.118 1.00 0.00 C ATOM 137 CG ARG A 13 -3.599 8.659 1.020 1.00 0.00 C ATOM 138 CD ARG A 13 -4.788 8.383 0.115 1.00 0.00 C ATOM 139 NE ARG A 13 -5.304 9.604 -0.504 1.00 0.00 N ATOM 140 CZ ARG A 13 -5.376 9.802 -1.818 1.00 0.00 C ATOM 141 NH1 ARG A 13 -4.920 8.883 -2.664 1.00 0.00 N ATOM 142 NH2 ARG A 13 -5.894 10.929 -2.288 1.00 0.00 N ATOM 0 H ARG A 13 -1.470 10.128 1.327 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.146 10.880 3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.701 9.183 2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.432 10.515 1.666 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.774 9.056 0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.253 7.726 1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.495 7.679 -0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.580 7.907 0.693 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.629 10.351 0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.512 8.019 -2.307 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.979 9.042 -3.670 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.236 11.641 -1.643 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.950 11.083 -3.295 1.00 0.00 H new ATOM 156 N MET A 14 -2.626 8.907 5.062 1.00 0.00 N ATOM 157 CA MET A 14 -2.082 7.940 6.003 1.00 0.00 C ATOM 158 C MET A 14 -2.951 6.695 6.061 1.00 0.00 C ATOM 159 O MET A 14 -4.118 6.753 6.452 1.00 0.00 O ATOM 160 CB MET A 14 -1.973 8.554 7.402 1.00 0.00 C ATOM 161 CG MET A 14 -1.105 9.801 7.463 1.00 0.00 C ATOM 162 SD MET A 14 0.624 9.478 7.064 1.00 0.00 S ATOM 163 CE MET A 14 1.074 8.368 8.400 1.00 0.00 C ATOM 0 H MET A 14 -3.344 9.517 5.453 1.00 0.00 H new ATOM 0 HA MET A 14 -1.087 7.660 5.656 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.973 8.802 7.758 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.567 7.807 8.085 1.00 0.00 H new ATOM 0 HG2 MET A 14 -1.499 10.545 6.771 1.00 0.00 H new ATOM 0 HG3 MET A 14 -1.167 10.231 8.463 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.013 8.696 8.845 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.291 8.375 9.158 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.191 7.357 8.009 1.00 0.00 H new ATOM 173 N ILE A 15 -2.379 5.570 5.671 1.00 0.00 N ATOM 174 CA ILE A 15 -3.093 4.307 5.687 1.00 0.00 C ATOM 175 C ILE A 15 -2.667 3.475 6.890 1.00 0.00 C ATOM 176 O ILE A 15 -1.488 3.160 7.058 1.00 0.00 O ATOM 177 CB ILE A 15 -2.846 3.508 4.387 1.00 0.00 C ATOM 178 CG1 ILE A 15 -3.346 4.303 3.176 1.00 0.00 C ATOM 179 CG2 ILE A 15 -3.530 2.150 4.453 1.00 0.00 C ATOM 180 CD1 ILE A 15 -3.122 3.610 1.847 1.00 0.00 C ATOM 0 H ILE A 15 -1.417 5.506 5.338 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.158 4.527 5.758 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.774 3.344 4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.412 4.498 3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.845 5.271 3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.344 1.604 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.133 1.583 5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.603 2.289 4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.503 4.237 1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.055 3.440 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.646 2.654 1.842 1.00 0.00 H new ATOM 192 N LEU A 16 -3.628 3.138 7.732 1.00 0.00 N ATOM 193 CA LEU A 16 -3.367 2.294 8.882 1.00 0.00 C ATOM 194 C LEU A 16 -3.354 0.845 8.425 1.00 0.00 C ATOM 195 O LEU A 16 -4.307 0.382 7.809 1.00 0.00 O ATOM 196 CB LEU A 16 -4.430 2.493 9.976 1.00 0.00 C ATOM 197 CG LEU A 16 -4.387 3.828 10.737 1.00 0.00 C ATOM 198 CD1 LEU A 16 -3.011 4.057 11.345 1.00 0.00 C ATOM 199 CD2 LEU A 16 -4.777 4.994 9.836 1.00 0.00 C ATOM 0 H LEU A 16 -4.599 3.438 7.639 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.402 2.565 9.310 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.414 2.392 9.518 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.331 1.684 10.700 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.117 3.773 11.545 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.003 5.007 11.879 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.781 3.249 12.039 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.262 4.079 10.553 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.736 5.923 10.405 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.085 5.052 8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.789 4.842 9.462 1.00 0.00 H new ATOM 211 N THR A 17 -2.281 0.137 8.712 1.00 0.00 N ATOM 212 CA THR A 17 -2.133 -1.208 8.199 1.00 0.00 C ATOM 213 C THR A 17 -2.057 -2.241 9.316 1.00 0.00 C ATOM 214 O THR A 17 -1.514 -1.987 10.388 1.00 0.00 O ATOM 215 CB THR A 17 -0.894 -1.323 7.285 1.00 0.00 C ATOM 216 OG1 THR A 17 0.234 -0.675 7.887 1.00 0.00 O ATOM 217 CG2 THR A 17 -1.166 -0.705 5.918 1.00 0.00 C ATOM 0 H THR A 17 -1.508 0.466 9.290 1.00 0.00 H new ATOM 0 HA THR A 17 -3.025 -1.418 7.609 1.00 0.00 H new ATOM 0 HB THR A 17 -0.673 -2.382 7.154 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.012 -0.758 7.297 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.278 -0.799 5.293 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.000 -1.223 5.444 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.415 0.349 6.038 1.00 0.00 H new ATOM 225 N ASP A 18 -2.648 -3.399 9.056 1.00 0.00 N ATOM 226 CA ASP A 18 -2.518 -4.561 9.926 1.00 0.00 C ATOM 227 C ASP A 18 -1.134 -5.173 9.715 1.00 0.00 C ATOM 228 O ASP A 18 -0.703 -6.077 10.429 1.00 0.00 O ATOM 229 CB ASP A 18 -3.630 -5.570 9.607 1.00 0.00 C ATOM 230 CG ASP A 18 -3.582 -6.812 10.472 1.00 0.00 C ATOM 231 OD1 ASP A 18 -4.015 -6.748 11.644 1.00 0.00 O ATOM 232 OD2 ASP A 18 -3.136 -7.867 9.975 1.00 0.00 O ATOM 0 H ASP A 18 -3.232 -3.560 8.235 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.620 -4.272 10.972 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.598 -5.085 9.734 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.555 -5.863 8.560 1.00 0.00 H new ATOM 237 N GLY A 19 -0.462 -4.663 8.693 1.00 0.00 N ATOM 238 CA GLY A 19 0.931 -4.991 8.442 1.00 0.00 C ATOM 239 C GLY A 19 1.077 -5.749 7.152 1.00 0.00 C ATOM 240 O GLY A 19 0.067 -5.976 6.478 1.00 0.00 O ATOM 0 H GLY A 19 -0.866 -4.013 8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.523 -4.077 8.401 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.323 -5.587 9.266 1.00 0.00 H new ATOM 244 N LYS A 20 2.309 -6.123 6.772 1.00 0.00 N ATOM 245 CA LYS A 20 2.456 -7.095 5.696 1.00 0.00 C ATOM 246 C LYS A 20 2.125 -6.520 4.319 1.00 0.00 C ATOM 247 O LYS A 20 1.029 -6.727 3.799 1.00 0.00 O ATOM 248 CB LYS A 20 1.663 -8.382 5.955 1.00 0.00 C ATOM 249 CG LYS A 20 2.148 -9.155 7.174 1.00 0.00 C ATOM 250 CD LYS A 20 1.581 -10.568 7.217 1.00 0.00 C ATOM 251 CE LYS A 20 2.416 -11.551 6.399 1.00 0.00 C ATOM 252 NZ LYS A 20 2.472 -11.210 4.952 1.00 0.00 N ATOM 0 H LYS A 20 3.180 -5.780 7.178 1.00 0.00 H new ATOM 0 HA LYS A 20 3.515 -7.354 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.611 -8.131 6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.729 -9.024 5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.237 -9.202 7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.860 -8.621 8.080 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.534 -10.907 8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.559 -10.559 6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.430 -11.577 6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.002 -12.553 6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.826 -12.028 4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.519 -10.963 4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.110 -10.401 4.810 1.00 0.00 H new ATOM 266 N PRO A 21 3.056 -5.758 3.725 1.00 0.00 N ATOM 267 CA PRO A 21 2.889 -5.227 2.382 1.00 0.00 C ATOM 268 C PRO A 21 3.347 -6.220 1.318 1.00 0.00 C ATOM 269 O PRO A 21 4.542 -6.350 1.037 1.00 0.00 O ATOM 270 CB PRO A 21 3.776 -3.985 2.393 1.00 0.00 C ATOM 271 CG PRO A 21 4.871 -4.297 3.362 1.00 0.00 C ATOM 272 CD PRO A 21 4.336 -5.337 4.322 1.00 0.00 C ATOM 0 HA PRO A 21 1.848 -5.016 2.138 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.175 -3.777 1.400 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.215 -3.103 2.702 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.751 -4.672 2.840 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.177 -3.399 3.899 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.024 -6.177 4.423 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.192 -4.921 5.319 1.00 0.00 H new ATOM 280 N GLU A 22 2.397 -6.942 0.749 1.00 0.00 N ATOM 281 CA GLU A 22 2.697 -7.928 -0.273 1.00 0.00 C ATOM 282 C GLU A 22 2.850 -7.264 -1.633 1.00 0.00 C ATOM 283 O GLU A 22 1.877 -7.075 -2.364 1.00 0.00 O ATOM 284 CB GLU A 22 1.607 -9.001 -0.317 1.00 0.00 C ATOM 285 CG GLU A 22 1.590 -9.901 0.905 1.00 0.00 C ATOM 286 CD GLU A 22 2.896 -10.646 1.073 1.00 0.00 C ATOM 287 OE1 GLU A 22 3.242 -11.448 0.180 1.00 0.00 O ATOM 288 OE2 GLU A 22 3.591 -10.425 2.084 1.00 0.00 O ATOM 0 H GLU A 22 1.407 -6.863 0.980 1.00 0.00 H new ATOM 0 HA GLU A 22 3.643 -8.407 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.636 -8.516 -0.414 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.748 -9.614 -1.207 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.396 -9.302 1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.772 -10.616 0.818 1.00 0.00 H new ATOM 295 N ILE A 23 4.074 -6.883 -1.951 1.00 0.00 N ATOM 296 CA ILE A 23 4.369 -6.241 -3.217 1.00 0.00 C ATOM 297 C ILE A 23 4.599 -7.290 -4.296 1.00 0.00 C ATOM 298 O ILE A 23 5.494 -8.132 -4.172 1.00 0.00 O ATOM 299 CB ILE A 23 5.618 -5.339 -3.114 1.00 0.00 C ATOM 300 CG1 ILE A 23 5.531 -4.451 -1.866 1.00 0.00 C ATOM 301 CG2 ILE A 23 5.761 -4.488 -4.370 1.00 0.00 C ATOM 302 CD1 ILE A 23 6.709 -3.516 -1.693 1.00 0.00 C ATOM 0 H ILE A 23 4.884 -7.009 -1.344 1.00 0.00 H new ATOM 0 HA ILE A 23 3.512 -5.620 -3.479 1.00 0.00 H new ATOM 0 HB ILE A 23 6.501 -5.972 -3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.616 -3.861 -1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.453 -5.087 -0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.646 -3.857 -4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.862 -5.137 -5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.878 -3.860 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.573 -2.923 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.627 -4.098 -1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.777 -2.853 -2.555 1.00 0.00 H new ATOM 314 N ASP A 24 3.780 -7.262 -5.334 1.00 0.00 N ATOM 315 CA ASP A 24 3.953 -8.181 -6.448 1.00 0.00 C ATOM 316 C ASP A 24 5.095 -7.701 -7.334 1.00 0.00 C ATOM 317 O ASP A 24 5.546 -6.563 -7.209 1.00 0.00 O ATOM 318 CB ASP A 24 2.664 -8.312 -7.274 1.00 0.00 C ATOM 319 CG ASP A 24 2.352 -7.087 -8.111 1.00 0.00 C ATOM 320 OD1 ASP A 24 2.986 -6.896 -9.172 1.00 0.00 O ATOM 321 OD2 ASP A 24 1.459 -6.319 -7.726 1.00 0.00 O ATOM 0 H ASP A 24 2.994 -6.619 -5.429 1.00 0.00 H new ATOM 0 HA ASP A 24 4.191 -9.165 -6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.750 -9.178 -7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.829 -8.504 -6.600 1.00 0.00 H new ATOM 326 N ASP A 25 5.572 -8.564 -8.211 1.00 0.00 N ATOM 327 CA ASP A 25 6.625 -8.183 -9.136 1.00 0.00 C ATOM 328 C ASP A 25 6.123 -8.233 -10.572 1.00 0.00 C ATOM 329 O ASP A 25 6.899 -8.132 -11.525 1.00 0.00 O ATOM 330 CB ASP A 25 7.866 -9.060 -8.953 1.00 0.00 C ATOM 331 CG ASP A 25 7.593 -10.541 -9.085 1.00 0.00 C ATOM 332 OD1 ASP A 25 7.227 -11.168 -8.067 1.00 0.00 O ATOM 333 OD2 ASP A 25 7.774 -11.086 -10.194 1.00 0.00 O ATOM 0 H ASP A 25 5.250 -9.528 -8.303 1.00 0.00 H new ATOM 0 HA ASP A 25 6.914 -7.156 -8.915 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.615 -8.771 -9.690 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.295 -8.866 -7.970 1.00 0.00 H new ATOM 338 N ASP A 26 4.814 -8.354 -10.719 1.00 0.00 N ATOM 339 CA ASP A 26 4.181 -8.274 -12.027 1.00 0.00 C ATOM 340 C ASP A 26 4.152 -6.825 -12.474 1.00 0.00 C ATOM 341 O ASP A 26 4.563 -6.490 -13.584 1.00 0.00 O ATOM 342 CB ASP A 26 2.748 -8.815 -11.984 1.00 0.00 C ATOM 343 CG ASP A 26 2.674 -10.281 -11.625 1.00 0.00 C ATOM 344 OD1 ASP A 26 2.910 -11.129 -12.511 1.00 0.00 O ATOM 345 OD2 ASP A 26 2.355 -10.596 -10.459 1.00 0.00 O ATOM 0 H ASP A 26 4.166 -8.509 -9.946 1.00 0.00 H new ATOM 0 HA ASP A 26 4.756 -8.880 -12.727 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.172 -8.241 -11.259 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.280 -8.662 -12.956 1.00 0.00 H new ATOM 350 N THR A 27 3.666 -5.976 -11.584 1.00 0.00 N ATOM 351 CA THR A 27 3.605 -4.545 -11.821 1.00 0.00 C ATOM 352 C THR A 27 4.201 -3.784 -10.638 1.00 0.00 C ATOM 353 O THR A 27 4.714 -2.672 -10.792 1.00 0.00 O ATOM 354 CB THR A 27 2.150 -4.081 -12.064 1.00 0.00 C ATOM 355 OG1 THR A 27 2.094 -2.652 -12.198 1.00 0.00 O ATOM 356 CG2 THR A 27 1.232 -4.530 -10.935 1.00 0.00 C ATOM 0 H THR A 27 3.302 -6.261 -10.675 1.00 0.00 H new ATOM 0 HA THR A 27 4.189 -4.330 -12.716 1.00 0.00 H new ATOM 0 HB THR A 27 1.806 -4.541 -12.990 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.167 -2.374 -12.353 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.216 -4.189 -11.134 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.243 -5.618 -10.868 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.579 -4.105 -9.993 1.00 0.00 H new ATOM 364 N GLY A 28 4.149 -4.392 -9.460 1.00 0.00 N ATOM 365 CA GLY A 28 4.693 -3.759 -8.285 1.00 0.00 C ATOM 366 C GLY A 28 3.621 -3.133 -7.422 1.00 0.00 C ATOM 367 O GLY A 28 3.831 -2.080 -6.824 1.00 0.00 O ATOM 0 H GLY A 28 3.739 -5.312 -9.302 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.243 -4.496 -7.700 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.408 -2.993 -8.586 1.00 0.00 H new ATOM 371 N LEU A 29 2.464 -3.765 -7.367 1.00 0.00 N ATOM 372 CA LEU A 29 1.394 -3.290 -6.510 1.00 0.00 C ATOM 373 C LEU A 29 1.580 -3.817 -5.095 1.00 0.00 C ATOM 374 O LEU A 29 1.879 -4.994 -4.883 1.00 0.00 O ATOM 375 CB LEU A 29 0.024 -3.695 -7.057 1.00 0.00 C ATOM 376 CG LEU A 29 -0.361 -3.035 -8.382 1.00 0.00 C ATOM 377 CD1 LEU A 29 -1.766 -3.440 -8.794 1.00 0.00 C ATOM 378 CD2 LEU A 29 -0.248 -1.519 -8.286 1.00 0.00 C ATOM 0 H LEU A 29 2.241 -4.604 -7.902 1.00 0.00 H new ATOM 0 HA LEU A 29 1.436 -2.201 -6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.007 -4.777 -7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.734 -3.452 -6.313 1.00 0.00 H new ATOM 0 HG LEU A 29 0.335 -3.380 -9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.021 -2.960 -9.739 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.813 -4.523 -8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.474 -3.129 -8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.527 -1.072 -9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.915 -1.153 -7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.779 -1.245 -8.044 1.00 0.00 H new ATOM 390 N VAL A 30 1.415 -2.930 -4.130 1.00 0.00 N ATOM 391 CA VAL A 30 1.597 -3.269 -2.735 1.00 0.00 C ATOM 392 C VAL A 30 0.278 -3.712 -2.123 1.00 0.00 C ATOM 393 O VAL A 30 -0.590 -2.887 -1.829 1.00 0.00 O ATOM 394 CB VAL A 30 2.150 -2.072 -1.935 1.00 0.00 C ATOM 395 CG1 VAL A 30 2.427 -2.463 -0.493 1.00 0.00 C ATOM 396 CG2 VAL A 30 3.405 -1.522 -2.588 1.00 0.00 C ATOM 0 H VAL A 30 1.152 -1.958 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 30 2.318 -4.085 -2.687 1.00 0.00 H new ATOM 0 HB VAL A 30 1.391 -1.289 -1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.816 -1.601 0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.503 -2.800 -0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.161 -3.268 -0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.778 -0.678 -2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.166 -2.301 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.173 -1.191 -3.600 1.00 0.00 H new ATOM 406 N SER A 31 0.118 -5.014 -1.954 1.00 0.00 N ATOM 407 CA SER A 31 -1.078 -5.562 -1.345 1.00 0.00 C ATOM 408 C SER A 31 -0.945 -5.529 0.173 1.00 0.00 C ATOM 409 O SER A 31 -0.226 -6.331 0.764 1.00 0.00 O ATOM 410 CB SER A 31 -1.300 -6.990 -1.836 1.00 0.00 C ATOM 411 OG SER A 31 -1.209 -7.062 -3.252 1.00 0.00 O ATOM 0 H SER A 31 0.807 -5.713 -2.232 1.00 0.00 H new ATOM 0 HA SER A 31 -1.940 -4.959 -1.631 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.560 -7.652 -1.386 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.280 -7.341 -1.513 1.00 0.00 H new ATOM 0 HG SER A 31 -0.266 -7.091 -3.518 1.00 0.00 H new ATOM 417 N TYR A 32 -1.624 -4.586 0.791 1.00 0.00 N ATOM 418 CA TYR A 32 -1.507 -4.371 2.224 1.00 0.00 C ATOM 419 C TYR A 32 -2.784 -4.791 2.933 1.00 0.00 C ATOM 420 O TYR A 32 -3.792 -5.097 2.294 1.00 0.00 O ATOM 421 CB TYR A 32 -1.227 -2.892 2.512 1.00 0.00 C ATOM 422 CG TYR A 32 -2.342 -1.983 2.044 1.00 0.00 C ATOM 423 CD1 TYR A 32 -2.387 -1.535 0.734 1.00 0.00 C ATOM 424 CD2 TYR A 32 -3.365 -1.600 2.903 1.00 0.00 C ATOM 425 CE1 TYR A 32 -3.414 -0.727 0.294 1.00 0.00 C ATOM 426 CE2 TYR A 32 -4.395 -0.791 2.466 1.00 0.00 C ATOM 427 CZ TYR A 32 -4.413 -0.361 1.162 1.00 0.00 C ATOM 428 OH TYR A 32 -5.428 0.451 0.723 1.00 0.00 O ATOM 0 H TYR A 32 -2.269 -3.950 0.322 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.680 -4.977 2.595 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.079 -2.757 3.583 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.297 -2.601 2.023 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.605 -1.823 0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.354 -1.940 3.928 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.433 -0.383 -0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.182 -0.498 3.146 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.580 0.297 -0.233 1.00 0.00 H new ATOM 438 N HIS A 33 -2.736 -4.799 4.255 1.00 0.00 N ATOM 439 CA HIS A 33 -3.923 -5.037 5.059 1.00 0.00 C ATOM 440 C HIS A 33 -4.327 -3.745 5.755 1.00 0.00 C ATOM 441 O HIS A 33 -3.575 -3.225 6.570 1.00 0.00 O ATOM 442 CB HIS A 33 -3.670 -6.127 6.107 1.00 0.00 C ATOM 443 CG HIS A 33 -3.261 -7.452 5.538 1.00 0.00 C ATOM 444 ND1 HIS A 33 -2.158 -8.149 5.980 1.00 0.00 N ATOM 445 CD2 HIS A 33 -3.822 -8.216 4.571 1.00 0.00 C ATOM 446 CE1 HIS A 33 -2.058 -9.280 5.309 1.00 0.00 C ATOM 447 NE2 HIS A 33 -3.054 -9.347 4.447 1.00 0.00 N ATOM 0 H HIS A 33 -1.885 -4.643 4.795 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.724 -5.374 4.402 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.893 -5.784 6.790 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.576 -6.263 6.697 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.709 -7.979 4.003 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.289 -10.026 5.443 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.225 -10.113 3.796 1.00 0.00 H new ATOM 456 N ASP A 34 -5.493 -3.218 5.410 1.00 0.00 N ATOM 457 CA ASP A 34 -6.023 -2.016 6.057 1.00 0.00 C ATOM 458 C ASP A 34 -6.359 -2.281 7.514 1.00 0.00 C ATOM 459 O ASP A 34 -6.473 -3.435 7.933 1.00 0.00 O ATOM 460 CB ASP A 34 -7.289 -1.527 5.347 1.00 0.00 C ATOM 461 CG ASP A 34 -7.101 -0.201 4.640 1.00 0.00 C ATOM 462 OD1 ASP A 34 -6.543 0.731 5.251 1.00 0.00 O ATOM 463 OD2 ASP A 34 -7.538 -0.081 3.479 1.00 0.00 O ATOM 0 H ASP A 34 -6.096 -3.603 4.683 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.248 -1.252 5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.604 -2.277 4.621 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.093 -1.432 6.076 1.00 0.00 H new ATOM 468 N GLN A 35 -6.537 -1.210 8.275 1.00 0.00 N ATOM 469 CA GLN A 35 -6.998 -1.311 9.654 1.00 0.00 C ATOM 470 C GLN A 35 -8.362 -1.986 9.691 1.00 0.00 C ATOM 471 O GLN A 35 -8.707 -2.686 10.642 1.00 0.00 O ATOM 472 CB GLN A 35 -7.096 0.082 10.279 1.00 0.00 C ATOM 473 CG GLN A 35 -7.568 0.073 11.725 1.00 0.00 C ATOM 474 CD GLN A 35 -7.940 1.452 12.240 1.00 0.00 C ATOM 475 OE1 GLN A 35 -7.299 2.483 11.715 1.00 0.00 O flip ATOM 476 NE2 GLN A 35 -8.806 1.586 13.101 1.00 0.00 N flip ATOM 0 H GLN A 35 -6.368 -0.255 7.959 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.284 -1.906 10.223 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.119 0.563 10.228 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.781 0.689 9.687 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.431 -0.587 11.815 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.782 -0.343 12.355 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.278 0.766 13.482 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.053 2.517 13.435 1.00 0.00 H new ATOM 485 N GLN A 36 -9.122 -1.773 8.625 1.00 0.00 N ATOM 486 CA GLN A 36 -10.464 -2.319 8.499 1.00 0.00 C ATOM 487 C GLN A 36 -10.424 -3.804 8.138 1.00 0.00 C ATOM 488 O GLN A 36 -11.465 -4.453 8.046 1.00 0.00 O ATOM 489 CB GLN A 36 -11.255 -1.562 7.425 1.00 0.00 C ATOM 490 CG GLN A 36 -11.226 -0.046 7.565 1.00 0.00 C ATOM 491 CD GLN A 36 -10.007 0.587 6.919 1.00 0.00 C ATOM 492 OE1 GLN A 36 -8.968 0.751 7.550 1.00 0.00 O ATOM 493 NE2 GLN A 36 -10.131 0.946 5.652 1.00 0.00 N ATOM 0 H GLN A 36 -8.824 -1.216 7.824 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.956 -2.203 9.465 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.860 -1.831 6.445 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.292 -1.896 7.453 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.127 0.372 7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.247 0.216 8.623 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.012 0.792 5.162 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.345 1.376 5.165 1.00 0.00 H new ATOM 502 N GLY A 37 -9.225 -4.334 7.933 1.00 0.00 N ATOM 503 CA GLY A 37 -9.082 -5.723 7.544 1.00 0.00 C ATOM 504 C GLY A 37 -9.260 -5.914 6.053 1.00 0.00 C ATOM 505 O GLY A 37 -9.717 -6.962 5.597 1.00 0.00 O ATOM 0 H GLY A 37 -8.347 -3.825 8.030 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.097 -6.083 7.841 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.816 -6.327 8.077 1.00 0.00 H new ATOM 509 N ASN A 38 -8.900 -4.893 5.292 1.00 0.00 N ATOM 510 CA ASN A 38 -9.030 -4.931 3.842 1.00 0.00 C ATOM 511 C ASN A 38 -7.705 -5.319 3.209 1.00 0.00 C ATOM 512 O ASN A 38 -6.650 -4.884 3.662 1.00 0.00 O ATOM 513 CB ASN A 38 -9.463 -3.564 3.305 1.00 0.00 C ATOM 514 CG ASN A 38 -10.774 -3.076 3.890 1.00 0.00 C ATOM 515 OD1 ASN A 38 -10.882 -1.771 4.085 1.00 0.00 O flip ATOM 516 ND2 ASN A 38 -11.672 -3.865 4.193 1.00 0.00 N flip ATOM 0 H ASN A 38 -8.513 -4.022 5.656 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.788 -5.672 3.587 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.683 -2.834 3.520 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.556 -3.621 2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -11.551 -4.864 4.027 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -12.536 -3.519 4.610 1.00 0.00 H new ATOM 523 N ALA A 39 -7.753 -6.130 2.168 1.00 0.00 N ATOM 524 CA ALA A 39 -6.551 -6.498 1.439 1.00 0.00 C ATOM 525 C ALA A 39 -6.531 -5.779 0.098 1.00 0.00 C ATOM 526 O ALA A 39 -7.093 -6.258 -0.887 1.00 0.00 O ATOM 527 CB ALA A 39 -6.474 -8.005 1.249 1.00 0.00 C ATOM 0 H ALA A 39 -8.611 -6.547 1.808 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.678 -6.195 2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.566 -8.257 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.457 -8.494 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.343 -8.346 0.687 1.00 0.00 H new ATOM 533 N MET A 40 -5.901 -4.617 0.070 1.00 0.00 N ATOM 534 CA MET A 40 -5.957 -3.754 -1.101 1.00 0.00 C ATOM 535 C MET A 40 -4.557 -3.495 -1.635 1.00 0.00 C ATOM 536 O MET A 40 -3.572 -3.815 -0.976 1.00 0.00 O ATOM 537 CB MET A 40 -6.660 -2.437 -0.756 1.00 0.00 C ATOM 538 CG MET A 40 -7.987 -2.648 -0.044 1.00 0.00 C ATOM 539 SD MET A 40 -9.188 -1.331 -0.339 1.00 0.00 S ATOM 540 CE MET A 40 -8.438 0.030 0.543 1.00 0.00 C ATOM 0 H MET A 40 -5.346 -4.249 0.842 1.00 0.00 H new ATOM 0 HA MET A 40 -6.531 -4.256 -1.880 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.006 -1.835 -0.125 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.830 -1.870 -1.671 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.415 -3.597 -0.367 1.00 0.00 H new ATOM 0 HG3 MET A 40 -7.805 -2.728 1.028 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.206 0.577 1.090 1.00 0.00 H new ATOM 0 HE2 MET A 40 -7.698 -0.355 1.244 1.00 0.00 H new ATOM 0 HE3 MET A 40 -7.952 0.700 -0.167 1.00 0.00 H new ATOM 550 N GLN A 41 -4.466 -2.908 -2.820 1.00 0.00 N ATOM 551 CA GLN A 41 -3.182 -2.757 -3.497 1.00 0.00 C ATOM 552 C GLN A 41 -2.909 -1.298 -3.859 1.00 0.00 C ATOM 553 O GLN A 41 -3.718 -0.662 -4.539 1.00 0.00 O ATOM 554 CB GLN A 41 -3.166 -3.605 -4.773 1.00 0.00 C ATOM 555 CG GLN A 41 -3.408 -5.088 -4.527 1.00 0.00 C ATOM 556 CD GLN A 41 -3.413 -5.910 -5.807 1.00 0.00 C ATOM 557 OE1 GLN A 41 -3.880 -5.318 -6.894 1.00 0.00 O flip ATOM 558 NE2 GLN A 41 -3.025 -7.078 -5.808 1.00 0.00 N flip ATOM 0 H GLN A 41 -5.262 -2.529 -3.333 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.403 -3.093 -2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.928 -3.230 -5.457 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.203 -3.481 -5.269 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.636 -5.471 -3.859 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.363 -5.215 -4.017 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.672 -7.499 -4.949 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.057 -7.625 -6.668 1.00 0.00 H new ATOM 567 N ILE A 42 -1.786 -0.760 -3.391 1.00 0.00 N ATOM 568 CA ILE A 42 -1.333 0.554 -3.839 1.00 0.00 C ATOM 569 C ILE A 42 -0.161 0.386 -4.793 1.00 0.00 C ATOM 570 O ILE A 42 0.249 -0.732 -5.079 1.00 0.00 O ATOM 571 CB ILE A 42 -0.902 1.502 -2.691 1.00 0.00 C ATOM 572 CG1 ILE A 42 0.415 1.047 -2.062 1.00 0.00 C ATOM 573 CG2 ILE A 42 -1.984 1.594 -1.627 1.00 0.00 C ATOM 574 CD1 ILE A 42 1.204 2.188 -1.466 1.00 0.00 C ATOM 0 H ILE A 42 -1.177 -1.209 -2.707 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.191 1.017 -4.327 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.752 2.491 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.206 0.311 -1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.021 0.549 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.657 2.265 -0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.901 1.979 -2.073 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.171 0.604 -1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.129 1.805 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.440 2.913 -2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.613 2.671 -0.688 1.00 0.00 H new ATOM 586 N ASN A 43 0.380 1.488 -5.276 1.00 0.00 N ATOM 587 CA ASN A 43 1.482 1.434 -6.226 1.00 0.00 C ATOM 588 C ASN A 43 2.827 1.532 -5.510 1.00 0.00 C ATOM 589 O ASN A 43 2.954 2.247 -4.517 1.00 0.00 O ATOM 590 CB ASN A 43 1.347 2.566 -7.239 1.00 0.00 C ATOM 591 CG ASN A 43 2.312 2.431 -8.399 1.00 0.00 C ATOM 592 OD1 ASN A 43 2.710 1.325 -8.770 1.00 0.00 O ATOM 593 ND2 ASN A 43 2.703 3.556 -8.967 1.00 0.00 N ATOM 0 H ASN A 43 0.078 2.430 -5.029 1.00 0.00 H new ATOM 0 HA ASN A 43 1.442 0.476 -6.745 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.326 2.586 -7.621 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.519 3.519 -6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.361 3.532 -9.746 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.347 4.449 -8.627 1.00 0.00 H new ATOM 600 N ARG A 44 3.826 0.816 -6.021 1.00 0.00 N ATOM 601 CA ARG A 44 5.177 0.838 -5.449 1.00 0.00 C ATOM 602 C ARG A 44 5.782 2.236 -5.493 1.00 0.00 C ATOM 603 O ARG A 44 6.553 2.614 -4.615 1.00 0.00 O ATOM 604 CB ARG A 44 6.093 -0.141 -6.189 1.00 0.00 C ATOM 605 CG ARG A 44 6.049 0.005 -7.703 1.00 0.00 C ATOM 606 CD ARG A 44 7.011 -0.950 -8.390 1.00 0.00 C ATOM 607 NE ARG A 44 6.753 -1.048 -9.825 1.00 0.00 N ATOM 608 CZ ARG A 44 7.607 -0.657 -10.772 1.00 0.00 C ATOM 609 NH1 ARG A 44 8.780 -0.127 -10.447 1.00 0.00 N ATOM 610 NH2 ARG A 44 7.285 -0.806 -12.052 1.00 0.00 N ATOM 0 H ARG A 44 3.728 0.209 -6.835 1.00 0.00 H new ATOM 0 HA ARG A 44 5.091 0.534 -4.406 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.118 0.006 -5.848 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.812 -1.160 -5.923 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.035 -0.183 -8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.297 1.030 -7.977 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.035 -0.613 -8.228 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.926 -1.938 -7.938 1.00 0.00 H new ATOM 0 HE ARG A 44 5.860 -1.442 -10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.035 -0.016 -9.466 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.426 0.169 -11.179 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.388 -1.218 -12.308 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.935 -0.508 -12.779 1.00 0.00 H new ATOM 624 N ASP A 45 5.421 3.006 -6.510 1.00 0.00 N ATOM 625 CA ASP A 45 5.937 4.363 -6.660 1.00 0.00 C ATOM 626 C ASP A 45 5.245 5.300 -5.678 1.00 0.00 C ATOM 627 O ASP A 45 5.684 6.425 -5.445 1.00 0.00 O ATOM 628 CB ASP A 45 5.729 4.851 -8.096 1.00 0.00 C ATOM 629 CG ASP A 45 6.341 6.216 -8.355 1.00 0.00 C ATOM 630 OD1 ASP A 45 7.572 6.291 -8.566 1.00 0.00 O ATOM 631 OD2 ASP A 45 5.594 7.219 -8.375 1.00 0.00 O ATOM 0 H ASP A 45 4.774 2.716 -7.243 1.00 0.00 H new ATOM 0 HA ASP A 45 7.005 4.358 -6.444 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.164 4.128 -8.786 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.661 4.892 -8.308 1.00 0.00 H new ATOM 636 N ASP A 46 4.170 4.808 -5.083 1.00 0.00 N ATOM 637 CA ASP A 46 3.347 5.605 -4.187 1.00 0.00 C ATOM 638 C ASP A 46 3.650 5.297 -2.730 1.00 0.00 C ATOM 639 O ASP A 46 3.014 5.849 -1.829 1.00 0.00 O ATOM 640 CB ASP A 46 1.867 5.360 -4.475 1.00 0.00 C ATOM 641 CG ASP A 46 1.398 6.081 -5.719 1.00 0.00 C ATOM 642 OD1 ASP A 46 1.879 5.755 -6.827 1.00 0.00 O ATOM 643 OD2 ASP A 46 0.557 6.989 -5.593 1.00 0.00 O ATOM 0 H ASP A 46 3.844 3.849 -5.207 1.00 0.00 H new ATOM 0 HA ASP A 46 3.582 6.655 -4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.694 4.290 -4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.274 5.689 -3.622 1.00 0.00 H new ATOM 648 N VAL A 47 4.614 4.415 -2.497 1.00 0.00 N ATOM 649 CA VAL A 47 5.021 4.078 -1.142 1.00 0.00 C ATOM 650 C VAL A 47 5.999 5.127 -0.629 1.00 0.00 C ATOM 651 O VAL A 47 7.144 5.200 -1.081 1.00 0.00 O ATOM 652 CB VAL A 47 5.679 2.683 -1.067 1.00 0.00 C ATOM 653 CG1 VAL A 47 5.836 2.246 0.380 1.00 0.00 C ATOM 654 CG2 VAL A 47 4.869 1.659 -1.849 1.00 0.00 C ATOM 0 H VAL A 47 5.127 3.922 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 47 4.125 4.059 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 47 6.669 2.749 -1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.301 1.261 0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.464 2.962 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.856 2.201 0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.352 0.684 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.864 1.595 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.810 1.963 -2.894 1.00 0.00 H new ATOM 664 N SER A 48 5.543 5.947 0.302 1.00 0.00 N ATOM 665 CA SER A 48 6.344 7.055 0.788 1.00 0.00 C ATOM 666 C SER A 48 7.143 6.657 2.031 1.00 0.00 C ATOM 667 O SER A 48 8.375 6.625 2.000 1.00 0.00 O ATOM 668 CB SER A 48 5.437 8.264 1.057 1.00 0.00 C ATOM 669 OG SER A 48 6.167 9.356 1.585 1.00 0.00 O ATOM 0 H SER A 48 4.623 5.866 0.736 1.00 0.00 H new ATOM 0 HA SER A 48 7.071 7.331 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.948 8.566 0.131 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.649 7.981 1.755 1.00 0.00 H new ATOM 0 HG SER A 48 5.560 10.109 1.743 1.00 0.00 H new ATOM 675 N GLN A 49 6.449 6.328 3.115 1.00 0.00 N ATOM 676 CA GLN A 49 7.116 5.962 4.358 1.00 0.00 C ATOM 677 C GLN A 49 6.285 4.933 5.117 1.00 0.00 C ATOM 678 O GLN A 49 5.059 4.984 5.087 1.00 0.00 O ATOM 679 CB GLN A 49 7.322 7.198 5.236 1.00 0.00 C ATOM 680 CG GLN A 49 8.447 7.046 6.250 1.00 0.00 C ATOM 681 CD GLN A 49 8.427 8.117 7.323 1.00 0.00 C ATOM 682 OE1 GLN A 49 7.364 8.580 7.739 1.00 0.00 O ATOM 683 NE2 GLN A 49 9.604 8.534 7.760 1.00 0.00 N ATOM 0 H GLN A 49 5.430 6.307 3.158 1.00 0.00 H new ATOM 0 HA GLN A 49 8.087 5.532 4.113 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.534 8.056 4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.394 7.416 5.765 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.374 6.066 6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.404 7.079 5.730 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.461 8.123 7.389 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.655 9.266 8.468 1.00 0.00 H new ATOM 692 N ILE A 50 6.950 4.003 5.788 1.00 0.00 N ATOM 693 CA ILE A 50 6.254 2.990 6.572 1.00 0.00 C ATOM 694 C ILE A 50 6.849 2.896 7.974 1.00 0.00 C ATOM 695 O ILE A 50 6.263 3.379 8.941 1.00 0.00 O ATOM 696 CB ILE A 50 6.304 1.596 5.896 1.00 0.00 C ATOM 697 CG1 ILE A 50 5.754 1.670 4.467 1.00 0.00 C ATOM 698 CG2 ILE A 50 5.509 0.583 6.713 1.00 0.00 C ATOM 699 CD1 ILE A 50 5.822 0.356 3.716 1.00 0.00 C ATOM 0 H ILE A 50 7.967 3.928 5.806 1.00 0.00 H new ATOM 0 HA ILE A 50 5.211 3.299 6.636 1.00 0.00 H new ATOM 0 HB ILE A 50 7.344 1.273 5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.717 2.003 4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.312 2.424 3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.553 -0.391 6.227 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.935 0.508 7.714 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.471 0.907 6.783 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.415 0.488 2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.860 0.030 3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.240 -0.397 4.247 1.00 0.00 H new ATOM 711 N ILE A 51 8.030 2.299 8.076 1.00 0.00 N ATOM 712 CA ILE A 51 8.673 2.094 9.368 1.00 0.00 C ATOM 713 C ILE A 51 10.107 2.612 9.362 1.00 0.00 C ATOM 714 O ILE A 51 10.564 3.194 8.376 1.00 0.00 O ATOM 715 CB ILE A 51 8.674 0.603 9.772 1.00 0.00 C ATOM 716 CG1 ILE A 51 9.261 -0.259 8.647 1.00 0.00 C ATOM 717 CG2 ILE A 51 7.266 0.151 10.128 1.00 0.00 C ATOM 718 CD1 ILE A 51 9.371 -1.730 8.998 1.00 0.00 C ATOM 0 H ILE A 51 8.562 1.948 7.280 1.00 0.00 H new ATOM 0 HA ILE A 51 8.092 2.657 10.098 1.00 0.00 H new ATOM 0 HB ILE A 51 9.304 0.480 10.653 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.639 -0.153 7.758 1.00 0.00 H new ATOM 0 HG13 ILE A 51 10.251 0.119 8.391 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.282 -0.902 10.411 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.893 0.745 10.962 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.612 0.285 9.266 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.794 -2.275 8.154 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.017 -1.849 9.868 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.381 -2.125 9.225 1.00 0.00 H new ATOM 730 N GLU A 52 10.810 2.391 10.465 1.00 0.00 N ATOM 731 CA GLU A 52 12.180 2.860 10.614 1.00 0.00 C ATOM 732 C GLU A 52 13.148 1.783 10.122 1.00 0.00 C ATOM 733 O GLU A 52 12.788 0.605 10.046 1.00 0.00 O ATOM 734 CB GLU A 52 12.443 3.216 12.087 1.00 0.00 C ATOM 735 CG GLU A 52 13.407 4.381 12.298 1.00 0.00 C ATOM 736 CD GLU A 52 14.868 3.992 12.185 1.00 0.00 C ATOM 737 OE1 GLU A 52 15.425 3.477 13.176 1.00 0.00 O ATOM 738 OE2 GLU A 52 15.468 4.206 11.110 1.00 0.00 O ATOM 0 H GLU A 52 10.450 1.886 11.275 1.00 0.00 H new ATOM 0 HA GLU A 52 12.335 3.756 10.013 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.493 3.457 12.564 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.840 2.337 12.594 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.189 5.158 11.565 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.230 4.813 13.283 1.00 0.00 H new ATOM 745 N ARG A 53 14.362 2.199 9.791 1.00 0.00 N ATOM 746 CA ARG A 53 15.395 1.315 9.262 1.00 0.00 C ATOM 747 C ARG A 53 15.019 0.723 7.912 1.00 0.00 C ATOM 748 O ARG A 53 14.529 -0.402 7.812 1.00 0.00 O ATOM 749 CB ARG A 53 15.769 0.205 10.253 1.00 0.00 C ATOM 750 CG ARG A 53 16.714 0.673 11.343 1.00 0.00 C ATOM 751 CD ARG A 53 17.908 1.397 10.742 1.00 0.00 C ATOM 752 NE ARG A 53 18.912 1.749 11.740 1.00 0.00 N ATOM 753 CZ ARG A 53 19.061 2.969 12.250 1.00 0.00 C ATOM 754 NH1 ARG A 53 18.192 3.934 11.960 1.00 0.00 N ATOM 755 NH2 ARG A 53 20.067 3.216 13.076 1.00 0.00 N ATOM 0 H ARG A 53 14.662 3.169 9.882 1.00 0.00 H new ATOM 0 HA ARG A 53 16.274 1.941 9.112 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.860 -0.186 10.711 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.231 -0.619 9.709 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.187 1.337 12.028 1.00 0.00 H new ATOM 0 HG3 ARG A 53 17.056 -0.182 11.927 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.365 0.766 9.980 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.565 2.303 10.242 1.00 0.00 H new ATOM 0 HE ARG A 53 19.539 1.014 12.067 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.404 3.742 11.342 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.314 4.866 12.356 1.00 0.00 H new ATOM 0 HH21 ARG A 53 20.722 2.473 13.318 1.00 0.00 H new ATOM 0 HH22 ARG A 53 20.186 4.149 13.470 1.00 0.00 H new TER 769 ARG A 53