USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=13 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= -0.0643 USER MOD Set 1.2: A 38 ASN : amide:sc= -1.79 K(o=-2.8,f=-15!) USER MOD Set 1.3: A 40 MET CE :methyl 136:sc= -0.945 (180deg=-0.731) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 162:sc= -0.111 (180deg=-0.561) USER MOD Single : A 9 THR OG1 : rot -70:sc= 1.16 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+ -166:sc= -0.0274 (180deg=-0.219) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -77:sc= -0.893 USER MOD Single : A 33 HIS : no HE2:sc= 0.746 K(o=0.75,f=-3.8!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.0259 F(o=-0.93,f=-0.026) USER MOD Single : A 41 GLN : amide:sc= 1.16 K(o=1.2,f=-0.49) USER MOD Single : A 43 ASN : amide:sc= -0.925! C(o=-0.93!,f=-6!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0103 F(o=-1.2!,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 4 3.137 1.478 15.822 1.00 0.00 N ATOM 2 CA ASP A 4 2.251 0.330 15.604 1.00 0.00 C ATOM 3 C ASP A 4 2.332 -0.165 14.167 1.00 0.00 C ATOM 4 O ASP A 4 3.133 -1.045 13.844 1.00 0.00 O ATOM 5 CB ASP A 4 0.788 0.654 15.948 1.00 0.00 C ATOM 6 CG ASP A 4 0.566 0.949 17.414 1.00 0.00 C ATOM 7 OD1 ASP A 4 0.593 0.001 18.229 1.00 0.00 O ATOM 8 OD2 ASP A 4 0.342 2.128 17.757 1.00 0.00 O ATOM 0 HA ASP A 4 2.597 -0.456 16.276 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.466 1.513 15.360 1.00 0.00 H new ATOM 0 HB3 ASP A 4 0.159 -0.187 15.655 1.00 0.00 H new ATOM 13 N TYR A 5 1.511 0.422 13.307 1.00 0.00 N ATOM 14 CA TYR A 5 1.388 -0.007 11.921 1.00 0.00 C ATOM 15 C TYR A 5 0.771 1.100 11.075 1.00 0.00 C ATOM 16 O TYR A 5 -0.427 1.371 11.153 1.00 0.00 O ATOM 17 CB TYR A 5 0.554 -1.298 11.814 1.00 0.00 C ATOM 18 CG TYR A 5 -0.407 -1.522 12.966 1.00 0.00 C ATOM 19 CD1 TYR A 5 -1.542 -0.738 13.122 1.00 0.00 C ATOM 20 CD2 TYR A 5 -0.162 -2.515 13.907 1.00 0.00 C ATOM 21 CE1 TYR A 5 -2.407 -0.939 14.179 1.00 0.00 C ATOM 22 CE2 TYR A 5 -1.021 -2.718 14.968 1.00 0.00 C ATOM 23 CZ TYR A 5 -2.140 -1.928 15.101 1.00 0.00 C ATOM 24 OH TYR A 5 -2.991 -2.126 16.162 1.00 0.00 O ATOM 0 H TYR A 5 0.911 1.210 13.551 1.00 0.00 H new ATOM 0 HA TYR A 5 2.387 -0.219 11.541 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.013 -1.273 10.884 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.232 -2.149 11.752 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.752 0.042 12.405 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.715 -3.138 13.806 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.289 -0.324 14.283 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.816 -3.494 15.691 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.657 -2.862 16.716 1.00 0.00 H new ATOM 34 N VAL A 6 1.603 1.739 10.270 1.00 0.00 N ATOM 35 CA VAL A 6 1.177 2.856 9.450 1.00 0.00 C ATOM 36 C VAL A 6 1.998 2.893 8.165 1.00 0.00 C ATOM 37 O VAL A 6 3.169 2.516 8.156 1.00 0.00 O ATOM 38 CB VAL A 6 1.308 4.200 10.215 1.00 0.00 C ATOM 39 CG1 VAL A 6 2.759 4.481 10.583 1.00 0.00 C ATOM 40 CG2 VAL A 6 0.722 5.352 9.409 1.00 0.00 C ATOM 0 H VAL A 6 2.589 1.498 10.168 1.00 0.00 H new ATOM 0 HA VAL A 6 0.125 2.719 9.202 1.00 0.00 H new ATOM 0 HB VAL A 6 0.736 4.111 11.139 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.822 5.429 11.118 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.135 3.680 11.219 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.360 4.536 9.676 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.828 6.280 9.971 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.252 5.439 8.460 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.334 5.162 9.218 1.00 0.00 H new ATOM 50 N MET A 7 1.372 3.313 7.081 1.00 0.00 N ATOM 51 CA MET A 7 2.035 3.365 5.793 1.00 0.00 C ATOM 52 C MET A 7 1.809 4.725 5.147 1.00 0.00 C ATOM 53 O MET A 7 0.716 5.023 4.662 1.00 0.00 O ATOM 54 CB MET A 7 1.510 2.242 4.895 1.00 0.00 C ATOM 55 CG MET A 7 2.228 2.120 3.562 1.00 0.00 C ATOM 56 SD MET A 7 1.674 0.690 2.611 1.00 0.00 S ATOM 57 CE MET A 7 -0.061 1.077 2.394 1.00 0.00 C ATOM 0 H MET A 7 0.401 3.624 7.068 1.00 0.00 H new ATOM 0 HA MET A 7 3.107 3.225 5.931 1.00 0.00 H new ATOM 0 HB2 MET A 7 1.596 1.296 5.429 1.00 0.00 H new ATOM 0 HB3 MET A 7 0.449 2.408 4.709 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.063 3.026 2.979 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.301 2.044 3.736 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.468 0.479 1.579 1.00 0.00 H new ATOM 0 HE2 MET A 7 -0.602 0.852 3.313 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.171 2.135 2.158 1.00 0.00 H new ATOM 67 N ALA A 8 2.839 5.555 5.168 1.00 0.00 N ATOM 68 CA ALA A 8 2.749 6.889 4.603 1.00 0.00 C ATOM 69 C ALA A 8 3.091 6.857 3.123 1.00 0.00 C ATOM 70 O ALA A 8 3.989 6.131 2.692 1.00 0.00 O ATOM 71 CB ALA A 8 3.667 7.851 5.342 1.00 0.00 C ATOM 0 H ALA A 8 3.748 5.327 5.571 1.00 0.00 H new ATOM 0 HA ALA A 8 1.724 7.243 4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.583 8.845 4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.379 7.894 6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.697 7.504 5.262 1.00 0.00 H new ATOM 77 N THR A 9 2.369 7.634 2.345 1.00 0.00 N ATOM 78 CA THR A 9 2.545 7.645 0.908 1.00 0.00 C ATOM 79 C THR A 9 3.299 8.889 0.449 1.00 0.00 C ATOM 80 O THR A 9 3.494 9.828 1.220 1.00 0.00 O ATOM 81 CB THR A 9 1.181 7.577 0.213 1.00 0.00 C ATOM 82 OG1 THR A 9 0.313 8.540 0.797 1.00 0.00 O ATOM 83 CG2 THR A 9 0.571 6.188 0.349 1.00 0.00 C ATOM 0 H THR A 9 1.649 8.271 2.686 1.00 0.00 H new ATOM 0 HA THR A 9 3.137 6.771 0.636 1.00 0.00 H new ATOM 0 HB THR A 9 1.315 7.789 -0.848 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.075 8.258 1.705 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.397 6.165 -0.152 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.234 5.453 -0.108 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.439 5.951 1.405 1.00 0.00 H new ATOM 91 N LYS A 10 3.699 8.892 -0.815 1.00 0.00 N ATOM 92 CA LYS A 10 4.468 9.991 -1.381 1.00 0.00 C ATOM 93 C LYS A 10 3.538 11.141 -1.765 1.00 0.00 C ATOM 94 O LYS A 10 3.982 12.232 -2.122 1.00 0.00 O ATOM 95 CB LYS A 10 5.267 9.486 -2.590 1.00 0.00 C ATOM 96 CG LYS A 10 6.203 10.518 -3.201 1.00 0.00 C ATOM 97 CD LYS A 10 7.308 9.861 -4.013 1.00 0.00 C ATOM 98 CE LYS A 10 6.757 9.002 -5.138 1.00 0.00 C ATOM 99 NZ LYS A 10 7.836 8.233 -5.813 1.00 0.00 N ATOM 0 H LYS A 10 3.501 8.138 -1.473 1.00 0.00 H new ATOM 0 HA LYS A 10 5.171 10.369 -0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.852 8.618 -2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.569 9.148 -3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.634 11.193 -3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.644 11.124 -2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.957 10.631 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.923 9.246 -3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.012 8.313 -4.740 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.250 9.635 -5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.427 7.657 -6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.534 8.892 -6.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.303 7.611 -5.123 1.00 0.00 H new ATOM 113 N ASP A 11 2.240 10.887 -1.679 1.00 0.00 N ATOM 114 CA ASP A 11 1.242 11.917 -1.923 1.00 0.00 C ATOM 115 C ASP A 11 0.698 12.460 -0.607 1.00 0.00 C ATOM 116 O ASP A 11 -0.253 13.241 -0.587 1.00 0.00 O ATOM 117 CB ASP A 11 0.109 11.379 -2.800 1.00 0.00 C ATOM 118 CG ASP A 11 0.542 11.194 -4.241 1.00 0.00 C ATOM 119 OD1 ASP A 11 0.465 12.170 -5.020 1.00 0.00 O ATOM 120 OD2 ASP A 11 0.972 10.081 -4.603 1.00 0.00 O ATOM 0 H ASP A 11 1.853 9.974 -1.441 1.00 0.00 H new ATOM 0 HA ASP A 11 1.722 12.737 -2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.237 10.426 -2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.736 12.066 -2.761 1.00 0.00 H new ATOM 125 N GLY A 12 1.314 12.037 0.492 1.00 0.00 N ATOM 126 CA GLY A 12 0.976 12.577 1.795 1.00 0.00 C ATOM 127 C GLY A 12 -0.268 11.958 2.403 1.00 0.00 C ATOM 128 O GLY A 12 -0.945 12.586 3.214 1.00 0.00 O ATOM 0 H GLY A 12 2.045 11.326 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.816 12.424 2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.830 13.654 1.707 1.00 0.00 H new ATOM 132 N ARG A 13 -0.578 10.733 2.019 1.00 0.00 N ATOM 133 CA ARG A 13 -1.715 10.031 2.596 1.00 0.00 C ATOM 134 C ARG A 13 -1.229 9.093 3.681 1.00 0.00 C ATOM 135 O ARG A 13 -0.287 8.319 3.479 1.00 0.00 O ATOM 136 CB ARG A 13 -2.478 9.237 1.536 1.00 0.00 C ATOM 137 CG ARG A 13 -2.448 9.887 0.174 1.00 0.00 C ATOM 138 CD ARG A 13 -3.418 9.228 -0.795 1.00 0.00 C ATOM 139 NE ARG A 13 -2.937 7.938 -1.290 1.00 0.00 N ATOM 140 CZ ARG A 13 -3.734 6.984 -1.772 1.00 0.00 C ATOM 141 NH1 ARG A 13 -5.052 7.120 -1.722 1.00 0.00 N ATOM 142 NH2 ARG A 13 -3.213 5.882 -2.288 1.00 0.00 N ATOM 0 H ARG A 13 -0.063 10.204 1.315 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.395 10.771 3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.052 8.236 1.464 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.514 9.120 1.854 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.695 10.944 0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.438 9.832 -0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.379 9.087 -0.300 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.590 9.895 -1.640 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.933 7.758 -1.265 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.463 7.959 -1.313 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.655 6.386 -2.093 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.201 5.762 -2.317 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.824 5.153 -2.656 1.00 0.00 H new ATOM 156 N MET A 14 -1.866 9.178 4.825 1.00 0.00 N ATOM 157 CA MET A 14 -1.508 8.345 5.963 1.00 0.00 C ATOM 158 C MET A 14 -2.414 7.129 6.014 1.00 0.00 C ATOM 159 O MET A 14 -3.523 7.186 6.542 1.00 0.00 O ATOM 160 CB MET A 14 -1.585 9.130 7.281 1.00 0.00 C ATOM 161 CG MET A 14 -0.359 9.990 7.563 1.00 0.00 C ATOM 162 SD MET A 14 -0.068 11.251 6.305 1.00 0.00 S ATOM 163 CE MET A 14 1.447 11.987 6.915 1.00 0.00 C ATOM 0 H MET A 14 -2.641 9.818 4.999 1.00 0.00 H new ATOM 0 HA MET A 14 -0.476 8.019 5.836 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.468 9.769 7.260 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.720 8.427 8.103 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.478 10.474 8.532 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.519 9.348 7.634 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.759 12.787 6.244 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.278 12.395 7.912 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.228 11.228 6.961 1.00 0.00 H new ATOM 173 N ILE A 15 -1.943 6.038 5.436 1.00 0.00 N ATOM 174 CA ILE A 15 -2.729 4.823 5.343 1.00 0.00 C ATOM 175 C ILE A 15 -2.441 3.908 6.524 1.00 0.00 C ATOM 176 O ILE A 15 -1.287 3.702 6.901 1.00 0.00 O ATOM 177 CB ILE A 15 -2.442 4.085 4.015 1.00 0.00 C ATOM 178 CG1 ILE A 15 -2.890 4.958 2.834 1.00 0.00 C ATOM 179 CG2 ILE A 15 -3.132 2.726 3.985 1.00 0.00 C ATOM 180 CD1 ILE A 15 -2.561 4.381 1.472 1.00 0.00 C ATOM 0 H ILE A 15 -1.013 5.970 5.022 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.783 5.100 5.364 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.370 3.907 3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.967 5.113 2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.421 5.938 2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.914 2.228 3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.767 2.114 4.810 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.209 2.863 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.912 5.060 0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.482 4.253 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.052 3.415 1.358 1.00 0.00 H new ATOM 192 N LEU A 16 -3.494 3.376 7.114 1.00 0.00 N ATOM 193 CA LEU A 16 -3.358 2.469 8.239 1.00 0.00 C ATOM 194 C LEU A 16 -3.248 1.043 7.731 1.00 0.00 C ATOM 195 O LEU A 16 -3.897 0.671 6.758 1.00 0.00 O ATOM 196 CB LEU A 16 -4.541 2.597 9.208 1.00 0.00 C ATOM 197 CG LEU A 16 -4.588 3.882 10.048 1.00 0.00 C ATOM 198 CD1 LEU A 16 -3.275 4.091 10.791 1.00 0.00 C ATOM 199 CD2 LEU A 16 -4.914 5.094 9.186 1.00 0.00 C ATOM 0 H LEU A 16 -4.457 3.557 6.832 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.453 2.733 8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.465 2.528 8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.523 1.744 9.886 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.385 3.768 10.783 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.332 5.007 11.379 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.093 3.245 11.454 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.459 4.171 10.073 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.940 5.988 9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.150 5.210 8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.886 4.953 8.713 1.00 0.00 H new ATOM 211 N THR A 17 -2.413 0.256 8.382 1.00 0.00 N ATOM 212 CA THR A 17 -2.178 -1.115 7.974 1.00 0.00 C ATOM 213 C THR A 17 -2.178 -2.024 9.192 1.00 0.00 C ATOM 214 O THR A 17 -2.317 -1.555 10.320 1.00 0.00 O ATOM 215 CB THR A 17 -0.822 -1.248 7.239 1.00 0.00 C ATOM 216 OG1 THR A 17 0.204 -0.571 7.981 1.00 0.00 O ATOM 217 CG2 THR A 17 -0.899 -0.675 5.830 1.00 0.00 C ATOM 0 H THR A 17 -1.882 0.547 9.203 1.00 0.00 H new ATOM 0 HA THR A 17 -2.977 -1.408 7.293 1.00 0.00 H new ATOM 0 HB THR A 17 -0.581 -2.308 7.164 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.060 -0.660 7.512 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.069 -0.783 5.340 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.657 -1.212 5.260 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.164 0.381 5.881 1.00 0.00 H new ATOM 225 N ASP A 18 -2.056 -3.318 8.965 1.00 0.00 N ATOM 226 CA ASP A 18 -1.722 -4.250 10.032 1.00 0.00 C ATOM 227 C ASP A 18 -0.248 -4.588 9.877 1.00 0.00 C ATOM 228 O ASP A 18 0.274 -5.555 10.433 1.00 0.00 O ATOM 229 CB ASP A 18 -2.599 -5.508 9.975 1.00 0.00 C ATOM 230 CG ASP A 18 -2.300 -6.423 8.800 1.00 0.00 C ATOM 231 OD1 ASP A 18 -2.013 -5.921 7.694 1.00 0.00 O ATOM 232 OD2 ASP A 18 -2.382 -7.659 8.977 1.00 0.00 O ATOM 0 H ASP A 18 -2.183 -3.751 8.050 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.911 -3.801 11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.470 -6.069 10.900 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.645 -5.206 9.929 1.00 0.00 H new ATOM 237 N GLY A 19 0.405 -3.710 9.126 1.00 0.00 N ATOM 238 CA GLY A 19 1.785 -3.884 8.728 1.00 0.00 C ATOM 239 C GLY A 19 1.859 -4.772 7.518 1.00 0.00 C ATOM 240 O GLY A 19 0.876 -4.883 6.785 1.00 0.00 O ATOM 0 H GLY A 19 -0.018 -2.851 8.776 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.234 -2.916 8.507 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.357 -4.321 9.547 1.00 0.00 H new ATOM 244 N LYS A 20 3.016 -5.371 7.267 1.00 0.00 N ATOM 245 CA LYS A 20 3.023 -6.600 6.481 1.00 0.00 C ATOM 246 C LYS A 20 2.574 -6.411 5.021 1.00 0.00 C ATOM 247 O LYS A 20 1.714 -7.147 4.533 1.00 0.00 O ATOM 248 CB LYS A 20 2.151 -7.658 7.170 1.00 0.00 C ATOM 249 CG LYS A 20 2.473 -7.831 8.646 1.00 0.00 C ATOM 250 CD LYS A 20 1.587 -8.873 9.302 1.00 0.00 C ATOM 251 CE LYS A 20 1.786 -8.895 10.809 1.00 0.00 C ATOM 252 NZ LYS A 20 3.220 -9.035 11.177 1.00 0.00 N ATOM 0 H LYS A 20 3.929 -5.043 7.581 1.00 0.00 H new ATOM 0 HA LYS A 20 4.061 -6.931 6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.102 -7.380 7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.281 -8.614 6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.518 -8.121 8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.351 -6.877 9.158 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.542 -8.661 9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.811 -9.856 8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.388 -7.977 11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.219 -9.721 11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.297 -9.283 12.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.654 -9.785 10.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.712 -8.136 11.003 1.00 0.00 H new ATOM 266 N PRO A 21 3.153 -5.445 4.287 1.00 0.00 N ATOM 267 CA PRO A 21 2.752 -5.180 2.911 1.00 0.00 C ATOM 268 C PRO A 21 3.393 -6.148 1.924 1.00 0.00 C ATOM 269 O PRO A 21 4.561 -6.514 2.064 1.00 0.00 O ATOM 270 CB PRO A 21 3.262 -3.761 2.676 1.00 0.00 C ATOM 271 CG PRO A 21 4.479 -3.658 3.530 1.00 0.00 C ATOM 272 CD PRO A 21 4.242 -4.551 4.722 1.00 0.00 C ATOM 0 HA PRO A 21 1.679 -5.298 2.763 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.499 -3.593 1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.515 -3.019 2.957 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.366 -3.972 2.980 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.647 -2.628 3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.139 -5.113 4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.958 -3.975 5.602 1.00 0.00 H new ATOM 280 N GLU A 22 2.622 -6.572 0.935 1.00 0.00 N ATOM 281 CA GLU A 22 3.132 -7.445 -0.104 1.00 0.00 C ATOM 282 C GLU A 22 3.316 -6.671 -1.395 1.00 0.00 C ATOM 283 O GLU A 22 2.352 -6.229 -2.007 1.00 0.00 O ATOM 284 CB GLU A 22 2.189 -8.624 -0.332 1.00 0.00 C ATOM 285 CG GLU A 22 2.165 -9.623 0.807 1.00 0.00 C ATOM 286 CD GLU A 22 1.275 -10.807 0.508 1.00 0.00 C ATOM 287 OE1 GLU A 22 1.723 -11.729 -0.204 1.00 0.00 O ATOM 288 OE2 GLU A 22 0.121 -10.818 0.972 1.00 0.00 O ATOM 0 H GLU A 22 1.638 -6.323 0.832 1.00 0.00 H new ATOM 0 HA GLU A 22 4.098 -7.833 0.219 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.180 -8.244 -0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.482 -9.139 -1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.179 -9.973 1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.817 -9.129 1.714 1.00 0.00 H new ATOM 295 N ILE A 23 4.554 -6.498 -1.799 1.00 0.00 N ATOM 296 CA ILE A 23 4.841 -5.778 -3.019 1.00 0.00 C ATOM 297 C ILE A 23 4.916 -6.749 -4.190 1.00 0.00 C ATOM 298 O ILE A 23 5.828 -7.573 -4.280 1.00 0.00 O ATOM 299 CB ILE A 23 6.141 -4.953 -2.913 1.00 0.00 C ATOM 300 CG1 ILE A 23 6.027 -3.945 -1.761 1.00 0.00 C ATOM 301 CG2 ILE A 23 6.410 -4.228 -4.225 1.00 0.00 C ATOM 302 CD1 ILE A 23 7.235 -3.045 -1.608 1.00 0.00 C ATOM 0 H ILE A 23 5.375 -6.844 -1.303 1.00 0.00 H new ATOM 0 HA ILE A 23 4.028 -5.072 -3.188 1.00 0.00 H new ATOM 0 HB ILE A 23 6.974 -5.626 -2.711 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.144 -3.326 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.872 -4.489 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.330 -3.649 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.514 -4.957 -5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.579 -3.558 -4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.077 -2.362 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.120 -3.653 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.380 -2.471 -2.524 1.00 0.00 H new ATOM 314 N ASP A 24 3.920 -6.668 -5.053 1.00 0.00 N ATOM 315 CA ASP A 24 3.850 -7.494 -6.242 1.00 0.00 C ATOM 316 C ASP A 24 4.846 -6.979 -7.271 1.00 0.00 C ATOM 317 O ASP A 24 4.548 -6.062 -8.038 1.00 0.00 O ATOM 318 CB ASP A 24 2.430 -7.482 -6.820 1.00 0.00 C ATOM 319 CG ASP A 24 1.384 -7.955 -5.826 1.00 0.00 C ATOM 320 OD1 ASP A 24 1.188 -9.183 -5.704 1.00 0.00 O ATOM 321 OD2 ASP A 24 0.753 -7.105 -5.164 1.00 0.00 O ATOM 0 H ASP A 24 3.135 -6.025 -4.948 1.00 0.00 H new ATOM 0 HA ASP A 24 4.101 -8.522 -5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.184 -6.471 -7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.398 -8.118 -7.704 1.00 0.00 H new ATOM 326 N ASP A 25 6.028 -7.576 -7.281 1.00 0.00 N ATOM 327 CA ASP A 25 7.152 -7.067 -8.060 1.00 0.00 C ATOM 328 C ASP A 25 7.048 -7.429 -9.536 1.00 0.00 C ATOM 329 O ASP A 25 7.902 -7.045 -10.335 1.00 0.00 O ATOM 330 CB ASP A 25 8.473 -7.587 -7.487 1.00 0.00 C ATOM 331 CG ASP A 25 8.504 -9.099 -7.362 1.00 0.00 C ATOM 332 OD1 ASP A 25 8.869 -9.775 -8.343 1.00 0.00 O ATOM 333 OD2 ASP A 25 8.162 -9.614 -6.273 1.00 0.00 O ATOM 0 H ASP A 25 6.237 -8.423 -6.753 1.00 0.00 H new ATOM 0 HA ASP A 25 7.123 -5.980 -7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.294 -7.263 -8.126 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.638 -7.142 -6.506 1.00 0.00 H new ATOM 338 N ASP A 26 6.009 -8.168 -9.904 1.00 0.00 N ATOM 339 CA ASP A 26 5.757 -8.466 -11.310 1.00 0.00 C ATOM 340 C ASP A 26 5.271 -7.221 -12.037 1.00 0.00 C ATOM 341 O ASP A 26 5.547 -7.030 -13.222 1.00 0.00 O ATOM 342 CB ASP A 26 4.722 -9.584 -11.475 1.00 0.00 C ATOM 343 CG ASP A 26 5.312 -10.965 -11.281 1.00 0.00 C ATOM 344 OD1 ASP A 26 6.022 -11.445 -12.191 1.00 0.00 O ATOM 345 OD2 ASP A 26 5.061 -11.579 -10.223 1.00 0.00 O ATOM 0 H ASP A 26 5.332 -8.570 -9.255 1.00 0.00 H new ATOM 0 HA ASP A 26 6.699 -8.802 -11.743 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.915 -9.435 -10.757 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.280 -9.519 -12.469 1.00 0.00 H new ATOM 350 N THR A 27 4.554 -6.372 -11.318 1.00 0.00 N ATOM 351 CA THR A 27 3.956 -5.185 -11.912 1.00 0.00 C ATOM 352 C THR A 27 4.328 -3.918 -11.134 1.00 0.00 C ATOM 353 O THR A 27 4.476 -2.840 -11.713 1.00 0.00 O ATOM 354 CB THR A 27 2.417 -5.326 -11.987 1.00 0.00 C ATOM 355 OG1 THR A 27 1.811 -4.096 -12.394 1.00 0.00 O ATOM 356 CG2 THR A 27 1.844 -5.765 -10.649 1.00 0.00 C ATOM 0 H THR A 27 4.371 -6.482 -10.321 1.00 0.00 H new ATOM 0 HA THR A 27 4.354 -5.092 -12.923 1.00 0.00 H new ATOM 0 HB THR A 27 2.193 -6.091 -12.731 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.838 -4.209 -12.436 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.761 -5.856 -10.729 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.270 -6.729 -10.369 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.090 -5.025 -9.887 1.00 0.00 H new ATOM 364 N GLY A 28 4.504 -4.055 -9.829 1.00 0.00 N ATOM 365 CA GLY A 28 4.764 -2.899 -9.000 1.00 0.00 C ATOM 366 C GLY A 28 3.542 -2.498 -8.196 1.00 0.00 C ATOM 367 O GLY A 28 3.280 -1.312 -7.997 1.00 0.00 O ATOM 0 H GLY A 28 4.471 -4.944 -9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.590 -3.116 -8.323 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.077 -2.064 -9.627 1.00 0.00 H new ATOM 371 N LEU A 29 2.779 -3.484 -7.750 1.00 0.00 N ATOM 372 CA LEU A 29 1.620 -3.223 -6.908 1.00 0.00 C ATOM 373 C LEU A 29 1.931 -3.594 -5.462 1.00 0.00 C ATOM 374 O LEU A 29 2.944 -4.220 -5.185 1.00 0.00 O ATOM 375 CB LEU A 29 0.399 -3.998 -7.409 1.00 0.00 C ATOM 376 CG LEU A 29 -0.030 -3.678 -8.843 1.00 0.00 C ATOM 377 CD1 LEU A 29 -1.271 -4.468 -9.216 1.00 0.00 C ATOM 378 CD2 LEU A 29 -0.285 -2.190 -9.016 1.00 0.00 C ATOM 0 H LEU A 29 2.940 -4.470 -7.956 1.00 0.00 H new ATOM 0 HA LEU A 29 1.388 -2.159 -6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.612 -5.065 -7.339 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.439 -3.796 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 29 0.784 -3.966 -9.509 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.561 -4.228 -10.239 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.060 -5.535 -9.140 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.084 -4.210 -8.538 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.588 -1.990 -10.044 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.077 -1.875 -8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.627 -1.636 -8.792 1.00 0.00 H new ATOM 390 N VAL A 30 1.072 -3.183 -4.546 1.00 0.00 N ATOM 391 CA VAL A 30 1.269 -3.442 -3.127 1.00 0.00 C ATOM 392 C VAL A 30 -0.034 -3.909 -2.486 1.00 0.00 C ATOM 393 O VAL A 30 -1.023 -3.177 -2.463 1.00 0.00 O ATOM 394 CB VAL A 30 1.775 -2.178 -2.386 1.00 0.00 C ATOM 395 CG1 VAL A 30 1.849 -2.405 -0.882 1.00 0.00 C ATOM 396 CG2 VAL A 30 3.130 -1.736 -2.924 1.00 0.00 C ATOM 0 H VAL A 30 0.222 -2.663 -4.761 1.00 0.00 H new ATOM 0 HA VAL A 30 2.023 -4.224 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 30 1.053 -1.382 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.208 -1.498 -0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.858 -2.654 -0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.535 -3.226 -0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.462 -0.847 -2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.856 -2.537 -2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.043 -1.507 -3.986 1.00 0.00 H new ATOM 406 N SER A 31 -0.029 -5.132 -1.987 1.00 0.00 N ATOM 407 CA SER A 31 -1.176 -5.693 -1.299 1.00 0.00 C ATOM 408 C SER A 31 -1.051 -5.476 0.209 1.00 0.00 C ATOM 409 O SER A 31 -0.100 -5.946 0.838 1.00 0.00 O ATOM 410 CB SER A 31 -1.292 -7.183 -1.628 1.00 0.00 C ATOM 411 OG SER A 31 -0.091 -7.678 -2.207 1.00 0.00 O ATOM 0 H SER A 31 0.770 -5.763 -2.048 1.00 0.00 H new ATOM 0 HA SER A 31 -2.081 -5.188 -1.636 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.518 -7.742 -0.720 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.123 -7.343 -2.315 1.00 0.00 H new ATOM 0 HG SER A 31 -0.037 -7.393 -3.143 1.00 0.00 H new ATOM 417 N TYR A 32 -2.009 -4.760 0.786 1.00 0.00 N ATOM 418 CA TYR A 32 -1.964 -4.416 2.206 1.00 0.00 C ATOM 419 C TYR A 32 -3.327 -4.638 2.854 1.00 0.00 C ATOM 420 O TYR A 32 -4.309 -4.898 2.163 1.00 0.00 O ATOM 421 CB TYR A 32 -1.551 -2.948 2.379 1.00 0.00 C ATOM 422 CG TYR A 32 -2.643 -1.959 2.008 1.00 0.00 C ATOM 423 CD1 TYR A 32 -3.068 -1.817 0.692 1.00 0.00 C ATOM 424 CD2 TYR A 32 -3.255 -1.176 2.977 1.00 0.00 C ATOM 425 CE1 TYR A 32 -4.068 -0.923 0.355 1.00 0.00 C ATOM 426 CE2 TYR A 32 -4.254 -0.280 2.648 1.00 0.00 C ATOM 427 CZ TYR A 32 -4.659 -0.157 1.336 1.00 0.00 C ATOM 428 OH TYR A 32 -5.646 0.741 1.001 1.00 0.00 O ATOM 0 H TYR A 32 -2.828 -4.405 0.293 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.231 -5.060 2.692 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.259 -2.782 3.416 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.672 -2.752 1.765 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.609 -2.416 -0.081 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.945 -1.269 4.007 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.384 -0.826 -0.673 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.716 0.322 3.416 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.958 1.200 1.808 1.00 0.00 H new ATOM 438 N HIS A 33 -3.382 -4.528 4.176 1.00 0.00 N ATOM 439 CA HIS A 33 -4.647 -4.615 4.897 1.00 0.00 C ATOM 440 C HIS A 33 -4.961 -3.283 5.559 1.00 0.00 C ATOM 441 O HIS A 33 -4.064 -2.625 6.083 1.00 0.00 O ATOM 442 CB HIS A 33 -4.609 -5.683 5.997 1.00 0.00 C ATOM 443 CG HIS A 33 -4.228 -7.058 5.550 1.00 0.00 C ATOM 444 ND1 HIS A 33 -3.056 -7.661 5.932 1.00 0.00 N ATOM 445 CD2 HIS A 33 -4.891 -7.968 4.804 1.00 0.00 C ATOM 446 CE1 HIS A 33 -3.010 -8.882 5.444 1.00 0.00 C ATOM 447 NE2 HIS A 33 -4.116 -9.102 4.753 1.00 0.00 N ATOM 0 H HIS A 33 -2.567 -4.379 4.770 1.00 0.00 H new ATOM 0 HA HIS A 33 -5.409 -4.881 4.165 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.906 -5.362 6.766 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.592 -5.732 6.465 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -2.332 -7.229 6.506 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -5.853 -7.830 4.334 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -2.204 -9.587 5.584 1.00 0.00 H new ATOM 456 N ASP A 34 -6.223 -2.884 5.534 1.00 0.00 N ATOM 457 CA ASP A 34 -6.665 -1.747 6.335 1.00 0.00 C ATOM 458 C ASP A 34 -7.097 -2.216 7.715 1.00 0.00 C ATOM 459 O ASP A 34 -6.980 -3.400 8.044 1.00 0.00 O ATOM 460 CB ASP A 34 -7.807 -0.988 5.658 1.00 0.00 C ATOM 461 CG ASP A 34 -7.422 0.420 5.256 1.00 0.00 C ATOM 462 OD1 ASP A 34 -6.880 1.150 6.113 1.00 0.00 O ATOM 463 OD2 ASP A 34 -7.709 0.818 4.113 1.00 0.00 O ATOM 0 H ASP A 34 -6.954 -3.323 4.975 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.822 -1.063 6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.128 -1.538 4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.660 -0.947 6.335 1.00 0.00 H new ATOM 468 N GLN A 35 -7.624 -1.293 8.512 1.00 0.00 N ATOM 469 CA GLN A 35 -8.036 -1.596 9.881 1.00 0.00 C ATOM 470 C GLN A 35 -9.287 -2.477 9.913 1.00 0.00 C ATOM 471 O GLN A 35 -9.804 -2.801 10.984 1.00 0.00 O ATOM 472 CB GLN A 35 -8.292 -0.305 10.661 1.00 0.00 C ATOM 473 CG GLN A 35 -7.083 0.612 10.737 1.00 0.00 C ATOM 474 CD GLN A 35 -7.288 1.776 11.687 1.00 0.00 C ATOM 475 OE1 GLN A 35 -7.764 2.846 11.296 1.00 0.00 O ATOM 476 NE2 GLN A 35 -6.923 1.581 12.943 1.00 0.00 N ATOM 0 H GLN A 35 -7.777 -0.324 8.233 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.222 -2.147 10.351 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.117 0.234 10.194 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.609 -0.559 11.673 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.215 0.036 11.057 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.861 0.996 9.741 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.534 0.682 13.227 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.031 2.329 13.628 1.00 0.00 H new ATOM 485 N GLN A 36 -9.768 -2.863 8.739 1.00 0.00 N ATOM 486 CA GLN A 36 -10.925 -3.739 8.635 1.00 0.00 C ATOM 487 C GLN A 36 -10.477 -5.178 8.400 1.00 0.00 C ATOM 488 O GLN A 36 -11.296 -6.093 8.328 1.00 0.00 O ATOM 489 CB GLN A 36 -11.833 -3.284 7.485 1.00 0.00 C ATOM 490 CG GLN A 36 -12.252 -1.821 7.571 1.00 0.00 C ATOM 491 CD GLN A 36 -12.964 -1.484 8.869 1.00 0.00 C ATOM 492 OE1 GLN A 36 -13.704 -2.438 9.405 1.00 0.00 O flip ATOM 493 NE2 GLN A 36 -12.866 -0.369 9.374 1.00 0.00 N flip ATOM 0 H GLN A 36 -9.372 -2.581 7.842 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.483 -3.689 9.570 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.316 -3.449 6.540 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.727 -3.908 7.472 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -11.369 -1.189 7.473 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.907 -1.586 6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.285 0.342 8.931 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.366 -0.154 10.237 1.00 0.00 H new ATOM 502 N GLY A 37 -9.166 -5.373 8.280 1.00 0.00 N ATOM 503 CA GLY A 37 -8.639 -6.687 7.952 1.00 0.00 C ATOM 504 C GLY A 37 -8.847 -7.000 6.486 1.00 0.00 C ATOM 505 O GLY A 37 -8.757 -8.150 6.055 1.00 0.00 O ATOM 0 H GLY A 37 -8.461 -4.646 8.404 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.576 -6.727 8.190 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.131 -7.444 8.563 1.00 0.00 H new ATOM 509 N ASN A 38 -9.129 -5.953 5.727 1.00 0.00 N ATOM 510 CA ASN A 38 -9.417 -6.061 4.307 1.00 0.00 C ATOM 511 C ASN A 38 -8.155 -5.832 3.485 1.00 0.00 C ATOM 512 O ASN A 38 -7.397 -4.894 3.731 1.00 0.00 O ATOM 513 CB ASN A 38 -10.508 -5.056 3.904 1.00 0.00 C ATOM 514 CG ASN A 38 -10.190 -3.626 4.315 1.00 0.00 C ATOM 515 OD1 ASN A 38 -9.522 -3.383 5.320 1.00 0.00 O ATOM 516 ND2 ASN A 38 -10.691 -2.669 3.554 1.00 0.00 N ATOM 0 H ASN A 38 -9.165 -4.998 6.082 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.780 -7.069 4.106 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.646 -5.094 2.823 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -11.453 -5.355 4.357 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.529 -1.691 3.792 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.240 -2.909 2.728 1.00 0.00 H new ATOM 523 N ALA A 39 -7.933 -6.705 2.520 1.00 0.00 N ATOM 524 CA ALA A 39 -6.744 -6.649 1.689 1.00 0.00 C ATOM 525 C ALA A 39 -7.018 -5.913 0.385 1.00 0.00 C ATOM 526 O ALA A 39 -7.837 -6.348 -0.428 1.00 0.00 O ATOM 527 CB ALA A 39 -6.231 -8.054 1.406 1.00 0.00 C ATOM 0 H ALA A 39 -8.568 -7.469 2.291 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.978 -6.096 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.339 -7.997 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.985 -8.548 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.001 -8.625 0.887 1.00 0.00 H new ATOM 533 N MET A 40 -6.333 -4.798 0.197 1.00 0.00 N ATOM 534 CA MET A 40 -6.454 -4.016 -1.024 1.00 0.00 C ATOM 535 C MET A 40 -5.097 -3.887 -1.698 1.00 0.00 C ATOM 536 O MET A 40 -4.074 -4.234 -1.105 1.00 0.00 O ATOM 537 CB MET A 40 -7.046 -2.637 -0.727 1.00 0.00 C ATOM 538 CG MET A 40 -8.530 -2.688 -0.401 1.00 0.00 C ATOM 539 SD MET A 40 -9.241 -1.076 -0.021 1.00 0.00 S ATOM 540 CE MET A 40 -8.387 -0.684 1.500 1.00 0.00 C ATOM 0 H MET A 40 -5.682 -4.411 0.880 1.00 0.00 H new ATOM 0 HA MET A 40 -7.132 -4.533 -1.703 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.510 -2.190 0.110 1.00 0.00 H new ATOM 0 HB3 MET A 40 -6.890 -1.987 -1.588 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.064 -3.121 -1.246 1.00 0.00 H new ATOM 0 HG3 MET A 40 -8.684 -3.353 0.449 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.058 0.355 1.475 1.00 0.00 H new ATOM 0 HE2 MET A 40 -9.061 -0.831 2.344 1.00 0.00 H new ATOM 0 HE3 MET A 40 -7.521 -1.336 1.609 1.00 0.00 H new ATOM 550 N GLN A 41 -5.082 -3.388 -2.927 1.00 0.00 N ATOM 551 CA GLN A 41 -3.857 -3.346 -3.708 1.00 0.00 C ATOM 552 C GLN A 41 -3.631 -1.950 -4.284 1.00 0.00 C ATOM 553 O GLN A 41 -4.522 -1.369 -4.906 1.00 0.00 O ATOM 554 CB GLN A 41 -3.929 -4.393 -4.818 1.00 0.00 C ATOM 555 CG GLN A 41 -2.572 -4.812 -5.360 1.00 0.00 C ATOM 556 CD GLN A 41 -2.680 -5.954 -6.347 1.00 0.00 C ATOM 557 OE1 GLN A 41 -3.671 -6.074 -7.067 1.00 0.00 O ATOM 558 NE2 GLN A 41 -1.667 -6.802 -6.387 1.00 0.00 N ATOM 0 H GLN A 41 -5.901 -3.009 -3.401 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.010 -3.574 -3.061 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.446 -5.275 -4.439 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.530 -3.999 -5.637 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.097 -3.959 -5.844 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.928 -5.109 -4.532 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.864 -6.666 -5.773 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.688 -7.592 -7.032 1.00 0.00 H new ATOM 567 N ILE A 42 -2.437 -1.420 -4.054 1.00 0.00 N ATOM 568 CA ILE A 42 -2.088 -0.060 -4.455 1.00 0.00 C ATOM 569 C ILE A 42 -0.708 -0.034 -5.126 1.00 0.00 C ATOM 570 O ILE A 42 0.193 -0.744 -4.711 1.00 0.00 O ATOM 571 CB ILE A 42 -2.152 0.886 -3.215 1.00 0.00 C ATOM 572 CG1 ILE A 42 -1.270 2.132 -3.371 1.00 0.00 C ATOM 573 CG2 ILE A 42 -1.777 0.132 -1.944 1.00 0.00 C ATOM 574 CD1 ILE A 42 0.135 1.958 -2.833 1.00 0.00 C ATOM 0 H ILE A 42 -1.682 -1.919 -3.584 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.808 0.299 -5.190 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.183 1.231 -3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.214 2.396 -4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.745 2.968 -2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.828 0.809 -1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.471 -0.695 -1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.764 -0.258 -2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.697 2.880 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.091 1.724 -1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.629 1.144 -3.363 1.00 0.00 H new ATOM 586 N ASN A 43 -0.556 0.770 -6.175 1.00 0.00 N ATOM 587 CA ASN A 43 0.704 0.829 -6.929 1.00 0.00 C ATOM 588 C ASN A 43 1.839 1.401 -6.072 1.00 0.00 C ATOM 589 O ASN A 43 1.655 2.401 -5.382 1.00 0.00 O ATOM 590 CB ASN A 43 0.519 1.666 -8.197 1.00 0.00 C ATOM 591 CG ASN A 43 1.794 1.790 -9.010 1.00 0.00 C ATOM 592 OD1 ASN A 43 2.591 2.697 -8.793 1.00 0.00 O ATOM 593 ND2 ASN A 43 1.993 0.884 -9.955 1.00 0.00 N ATOM 0 H ASN A 43 -1.285 1.391 -6.526 1.00 0.00 H new ATOM 0 HA ASN A 43 0.979 -0.188 -7.211 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.258 1.215 -8.814 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.170 2.661 -7.922 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.833 0.926 -10.533 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.307 0.145 -10.105 1.00 0.00 H new ATOM 600 N ARG A 44 3.020 0.784 -6.150 1.00 0.00 N ATOM 601 CA ARG A 44 4.128 1.104 -5.242 1.00 0.00 C ATOM 602 C ARG A 44 4.686 2.519 -5.435 1.00 0.00 C ATOM 603 O ARG A 44 5.510 2.971 -4.643 1.00 0.00 O ATOM 604 CB ARG A 44 5.253 0.059 -5.362 1.00 0.00 C ATOM 605 CG ARG A 44 5.819 -0.143 -6.766 1.00 0.00 C ATOM 606 CD ARG A 44 6.744 0.987 -7.193 1.00 0.00 C ATOM 607 NE ARG A 44 8.010 0.482 -7.720 1.00 0.00 N ATOM 608 CZ ARG A 44 8.708 1.062 -8.693 1.00 0.00 C ATOM 609 NH1 ARG A 44 8.242 2.135 -9.317 1.00 0.00 N ATOM 610 NH2 ARG A 44 9.874 0.547 -9.053 1.00 0.00 N ATOM 0 H ARG A 44 3.236 0.058 -6.833 1.00 0.00 H new ATOM 0 HA ARG A 44 3.712 1.072 -4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.068 0.351 -4.700 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.876 -0.898 -5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.364 -1.086 -6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.997 -0.223 -7.477 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.250 1.594 -7.952 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.939 1.639 -6.341 1.00 0.00 H new ATOM 0 HE ARG A 44 8.385 -0.375 -7.313 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.338 2.526 -9.053 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.788 2.569 -10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.229 -0.287 -8.585 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.417 0.984 -9.798 1.00 0.00 H new ATOM 624 N ASP A 45 4.260 3.213 -6.480 1.00 0.00 N ATOM 625 CA ASP A 45 4.695 4.591 -6.695 1.00 0.00 C ATOM 626 C ASP A 45 3.909 5.546 -5.813 1.00 0.00 C ATOM 627 O ASP A 45 4.257 6.721 -5.683 1.00 0.00 O ATOM 628 CB ASP A 45 4.546 4.993 -8.161 1.00 0.00 C ATOM 629 CG ASP A 45 5.735 4.574 -8.998 1.00 0.00 C ATOM 630 OD1 ASP A 45 5.875 3.370 -9.288 1.00 0.00 O ATOM 631 OD2 ASP A 45 6.540 5.455 -9.366 1.00 0.00 O ATOM 0 H ASP A 45 3.620 2.852 -7.188 1.00 0.00 H new ATOM 0 HA ASP A 45 5.750 4.650 -6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.641 4.542 -8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.421 6.074 -8.228 1.00 0.00 H new ATOM 636 N ASP A 46 2.853 5.033 -5.203 1.00 0.00 N ATOM 637 CA ASP A 46 2.016 5.836 -4.323 1.00 0.00 C ATOM 638 C ASP A 46 2.587 5.825 -2.905 1.00 0.00 C ATOM 639 O ASP A 46 2.713 6.873 -2.274 1.00 0.00 O ATOM 640 CB ASP A 46 0.583 5.298 -4.339 1.00 0.00 C ATOM 641 CG ASP A 46 -0.420 6.241 -3.702 1.00 0.00 C ATOM 642 OD1 ASP A 46 -0.578 6.208 -2.465 1.00 0.00 O ATOM 643 OD2 ASP A 46 -1.082 6.995 -4.446 1.00 0.00 O ATOM 0 H ASP A 46 2.554 4.063 -5.301 1.00 0.00 H new ATOM 0 HA ASP A 46 2.002 6.867 -4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.286 5.106 -5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.555 4.342 -3.816 1.00 0.00 H new ATOM 648 N VAL A 47 2.959 4.636 -2.423 1.00 0.00 N ATOM 649 CA VAL A 47 3.557 4.498 -1.090 1.00 0.00 C ATOM 650 C VAL A 47 4.963 5.081 -1.051 1.00 0.00 C ATOM 651 O VAL A 47 5.579 5.319 -2.091 1.00 0.00 O ATOM 652 CB VAL A 47 3.619 3.028 -0.610 1.00 0.00 C ATOM 653 CG1 VAL A 47 2.239 2.536 -0.218 1.00 0.00 C ATOM 654 CG2 VAL A 47 4.235 2.123 -1.676 1.00 0.00 C ATOM 0 H VAL A 47 2.858 3.758 -2.932 1.00 0.00 H new ATOM 0 HA VAL A 47 2.904 5.054 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 47 4.261 2.989 0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.303 1.501 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.848 3.155 0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.573 2.599 -1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.265 1.097 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.632 2.167 -2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.248 2.459 -1.897 1.00 0.00 H new ATOM 664 N SER A 48 5.467 5.313 0.154 1.00 0.00 N ATOM 665 CA SER A 48 6.792 5.885 0.314 1.00 0.00 C ATOM 666 C SER A 48 7.369 5.557 1.692 1.00 0.00 C ATOM 667 O SER A 48 8.294 4.750 1.813 1.00 0.00 O ATOM 668 CB SER A 48 6.729 7.401 0.094 1.00 0.00 C ATOM 669 OG SER A 48 8.013 7.995 0.186 1.00 0.00 O ATOM 0 H SER A 48 4.980 5.115 1.028 1.00 0.00 H new ATOM 0 HA SER A 48 7.456 5.447 -0.431 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.300 7.610 -0.886 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.066 7.849 0.834 1.00 0.00 H new ATOM 0 HG SER A 48 7.938 8.961 0.039 1.00 0.00 H new ATOM 675 N GLN A 49 6.803 6.153 2.733 1.00 0.00 N ATOM 676 CA GLN A 49 7.349 6.012 4.073 1.00 0.00 C ATOM 677 C GLN A 49 6.681 4.876 4.834 1.00 0.00 C ATOM 678 O GLN A 49 5.587 5.027 5.375 1.00 0.00 O ATOM 679 CB GLN A 49 7.207 7.310 4.863 1.00 0.00 C ATOM 680 CG GLN A 49 8.003 8.469 4.289 1.00 0.00 C ATOM 681 CD GLN A 49 7.883 9.725 5.129 1.00 0.00 C ATOM 682 OE1 GLN A 49 7.698 9.556 6.431 1.00 0.00 O flip ATOM 683 NE2 GLN A 49 7.951 10.839 4.616 1.00 0.00 N flip ATOM 0 H GLN A 49 5.969 6.737 2.674 1.00 0.00 H new ATOM 0 HA GLN A 49 8.408 5.778 3.961 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.154 7.588 4.900 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.527 7.136 5.890 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.052 8.184 4.215 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.657 8.678 3.277 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.094 10.929 3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.864 11.674 5.196 1.00 0.00 H new ATOM 692 N ILE A 50 7.341 3.733 4.850 1.00 0.00 N ATOM 693 CA ILE A 50 6.916 2.613 5.677 1.00 0.00 C ATOM 694 C ILE A 50 8.139 1.869 6.208 1.00 0.00 C ATOM 695 O ILE A 50 8.224 1.556 7.392 1.00 0.00 O ATOM 696 CB ILE A 50 5.967 1.644 4.922 1.00 0.00 C ATOM 697 CG1 ILE A 50 5.580 0.460 5.820 1.00 0.00 C ATOM 698 CG2 ILE A 50 6.593 1.159 3.619 1.00 0.00 C ATOM 699 CD1 ILE A 50 4.531 -0.446 5.215 1.00 0.00 C ATOM 0 H ILE A 50 8.179 3.553 4.297 1.00 0.00 H new ATOM 0 HA ILE A 50 6.346 3.018 6.513 1.00 0.00 H new ATOM 0 HB ILE A 50 5.060 2.192 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.473 -0.127 6.037 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.211 0.843 6.772 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.904 0.482 3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.800 2.013 2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.523 0.634 3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.309 -1.259 5.907 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.623 0.126 5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.904 -0.859 4.278 1.00 0.00 H new ATOM 711 N ILE A 51 9.100 1.620 5.326 1.00 0.00 N ATOM 712 CA ILE A 51 10.354 0.996 5.719 1.00 0.00 C ATOM 713 C ILE A 51 11.347 2.064 6.181 1.00 0.00 C ATOM 714 O ILE A 51 12.251 1.795 6.973 1.00 0.00 O ATOM 715 CB ILE A 51 10.956 0.169 4.554 1.00 0.00 C ATOM 716 CG1 ILE A 51 12.248 -0.529 4.993 1.00 0.00 C ATOM 717 CG2 ILE A 51 11.209 1.051 3.335 1.00 0.00 C ATOM 718 CD1 ILE A 51 12.865 -1.399 3.919 1.00 0.00 C ATOM 0 H ILE A 51 9.033 1.842 4.333 1.00 0.00 H new ATOM 0 HA ILE A 51 10.153 0.314 6.545 1.00 0.00 H new ATOM 0 HB ILE A 51 10.232 -0.597 4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.973 0.226 5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.039 -1.142 5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.631 0.448 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.269 1.491 3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.908 1.845 3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.775 -1.860 4.302 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.158 -2.177 3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.106 -0.788 3.050 1.00 0.00 H new ATOM 730 N GLU A 52 11.142 3.288 5.704 1.00 0.00 N ATOM 731 CA GLU A 52 12.012 4.406 6.049 1.00 0.00 C ATOM 732 C GLU A 52 11.521 5.091 7.317 1.00 0.00 C ATOM 733 O GLU A 52 12.146 6.034 7.803 1.00 0.00 O ATOM 734 CB GLU A 52 12.061 5.411 4.896 1.00 0.00 C ATOM 735 CG GLU A 52 12.562 4.815 3.589 1.00 0.00 C ATOM 736 CD GLU A 52 13.977 4.287 3.699 1.00 0.00 C ATOM 737 OE1 GLU A 52 14.155 3.142 4.166 1.00 0.00 O ATOM 738 OE2 GLU A 52 14.917 5.017 3.329 1.00 0.00 O ATOM 0 H GLU A 52 10.377 3.531 5.075 1.00 0.00 H new ATOM 0 HA GLU A 52 13.016 4.021 6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.063 5.821 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.707 6.243 5.177 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.898 4.006 3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.520 5.574 2.807 1.00 0.00 H new ATOM 745 N ARG A 53 10.407 4.590 7.844 1.00 0.00 N ATOM 746 CA ARG A 53 9.775 5.147 9.037 1.00 0.00 C ATOM 747 C ARG A 53 9.325 6.591 8.800 1.00 0.00 C ATOM 748 O ARG A 53 8.315 6.836 8.140 1.00 0.00 O ATOM 749 CB ARG A 53 10.711 5.081 10.253 1.00 0.00 C ATOM 750 CG ARG A 53 11.161 3.675 10.621 1.00 0.00 C ATOM 751 CD ARG A 53 12.122 3.702 11.799 1.00 0.00 C ATOM 752 NE ARG A 53 12.582 2.365 12.177 1.00 0.00 N ATOM 753 CZ ARG A 53 13.193 2.092 13.331 1.00 0.00 C ATOM 754 NH1 ARG A 53 13.473 3.069 14.185 1.00 0.00 N ATOM 755 NH2 ARG A 53 13.554 0.846 13.609 1.00 0.00 N ATOM 0 H ARG A 53 9.916 3.785 7.455 1.00 0.00 H new ATOM 0 HA ARG A 53 8.896 4.538 9.248 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.592 5.691 10.052 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.205 5.524 11.111 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.293 3.065 10.869 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.644 3.208 9.763 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.983 4.321 11.547 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.632 4.169 12.653 1.00 0.00 H new ATOM 0 HE ARG A 53 12.427 1.599 11.521 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.221 4.031 13.960 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.940 2.857 15.067 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.364 0.099 12.941 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.021 0.635 14.491 1.00 0.00 H new TER 769 ARG A 53