USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=11 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 USER MOD Set 1.2: A 40 MET CE :methyl -127:sc= 0 (180deg=-0.102) USER MOD Set 2.1: A 35 GLN : amide:sc= 0.766 K(o=0.89,f=-2.6!) USER MOD Set 2.2: A 36 GLN : amide:sc= 0.124 K(o=0.89,f=-6.1!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl -118:sc= -1.97 (180deg=-2.28!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.659 USER MOD Single : A 10 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.17) USER MOD Single : A 14 MET CE :methyl -112:sc= -0.457 (180deg=-1.82) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -31:sc= 0.709 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 1.07 K(o=1.1,f=-0.67) USER MOD Single : A 41 GLN : amide:sc= -2.01 K(o=-2,f=-0.063) USER MOD Single : A 43 ASN : amide:sc= -2.02! X(o=-2!,f=-1.9) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 4 5.102 -3.556 13.053 1.00 0.00 N ATOM 2 CA ASP A 4 5.465 -2.570 12.052 1.00 0.00 C ATOM 3 C ASP A 4 4.306 -2.343 11.088 1.00 0.00 C ATOM 4 O ASP A 4 4.089 -3.104 10.142 1.00 0.00 O ATOM 5 CB ASP A 4 6.749 -2.980 11.307 1.00 0.00 C ATOM 6 CG ASP A 4 6.707 -4.383 10.720 1.00 0.00 C ATOM 7 OD1 ASP A 4 6.236 -5.313 11.406 1.00 0.00 O ATOM 8 OD2 ASP A 4 7.203 -4.567 9.587 1.00 0.00 O ATOM 0 HA ASP A 4 5.674 -1.627 12.557 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.933 -2.267 10.503 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.592 -2.911 11.994 1.00 0.00 H new ATOM 13 N TYR A 5 3.545 -1.296 11.364 1.00 0.00 N ATOM 14 CA TYR A 5 2.360 -0.977 10.588 1.00 0.00 C ATOM 15 C TYR A 5 2.383 0.485 10.145 1.00 0.00 C ATOM 16 O TYR A 5 3.380 1.176 10.346 1.00 0.00 O ATOM 17 CB TYR A 5 1.091 -1.277 11.403 1.00 0.00 C ATOM 18 CG TYR A 5 1.099 -0.743 12.828 1.00 0.00 C ATOM 19 CD1 TYR A 5 1.554 0.538 13.125 1.00 0.00 C ATOM 20 CD2 TYR A 5 0.641 -1.530 13.877 1.00 0.00 C ATOM 21 CE1 TYR A 5 1.553 1.019 14.419 1.00 0.00 C ATOM 22 CE2 TYR A 5 0.635 -1.055 15.177 1.00 0.00 C ATOM 23 CZ TYR A 5 1.092 0.219 15.443 1.00 0.00 C ATOM 24 OH TYR A 5 1.091 0.702 16.733 1.00 0.00 O ATOM 0 H TYR A 5 3.731 -0.647 12.129 1.00 0.00 H new ATOM 0 HA TYR A 5 2.353 -1.602 9.695 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.233 -0.856 10.879 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.946 -2.357 11.437 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.915 1.169 12.327 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.284 -2.529 13.675 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.911 2.016 14.628 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.274 -1.680 15.980 1.00 0.00 H new ATOM 0 HH TYR A 5 0.735 0.018 17.338 1.00 0.00 H new ATOM 34 N VAL A 6 1.267 0.939 9.565 1.00 0.00 N ATOM 35 CA VAL A 6 1.124 2.315 9.075 1.00 0.00 C ATOM 36 C VAL A 6 1.931 2.535 7.797 1.00 0.00 C ATOM 37 O VAL A 6 3.149 2.368 7.769 1.00 0.00 O ATOM 38 CB VAL A 6 1.526 3.367 10.137 1.00 0.00 C ATOM 39 CG1 VAL A 6 1.487 4.771 9.552 1.00 0.00 C ATOM 40 CG2 VAL A 6 0.609 3.281 11.351 1.00 0.00 C ATOM 0 H VAL A 6 0.437 0.363 9.422 1.00 0.00 H new ATOM 0 HA VAL A 6 0.065 2.451 8.856 1.00 0.00 H new ATOM 0 HB VAL A 6 2.547 3.152 10.452 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.773 5.492 10.317 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.182 4.836 8.715 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.478 4.992 9.204 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.908 4.028 12.086 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.420 3.466 11.043 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.683 2.287 11.793 1.00 0.00 H new ATOM 50 N MET A 7 1.239 2.902 6.730 1.00 0.00 N ATOM 51 CA MET A 7 1.887 3.126 5.451 1.00 0.00 C ATOM 52 C MET A 7 1.623 4.544 4.962 1.00 0.00 C ATOM 53 O MET A 7 0.493 4.890 4.612 1.00 0.00 O ATOM 54 CB MET A 7 1.397 2.102 4.426 1.00 0.00 C ATOM 55 CG MET A 7 2.060 2.225 3.062 1.00 0.00 C ATOM 56 SD MET A 7 1.493 0.967 1.897 1.00 0.00 S ATOM 57 CE MET A 7 -0.255 1.344 1.800 1.00 0.00 C ATOM 0 H MET A 7 0.230 3.051 6.726 1.00 0.00 H new ATOM 0 HA MET A 7 2.963 3.003 5.577 1.00 0.00 H new ATOM 0 HB2 MET A 7 1.575 1.100 4.816 1.00 0.00 H new ATOM 0 HB3 MET A 7 0.319 2.211 4.306 1.00 0.00 H new ATOM 0 HG2 MET A 7 1.856 3.214 2.651 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.141 2.145 3.179 1.00 0.00 H new ATOM 0 HE1 MET A 7 -0.832 0.491 2.158 1.00 0.00 H new ATOM 0 HE2 MET A 7 -0.474 2.215 2.417 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.525 1.555 0.765 1.00 0.00 H new ATOM 67 N ALA A 8 2.662 5.367 4.971 1.00 0.00 N ATOM 68 CA ALA A 8 2.559 6.727 4.463 1.00 0.00 C ATOM 69 C ALA A 8 2.825 6.743 2.963 1.00 0.00 C ATOM 70 O ALA A 8 3.856 6.252 2.498 1.00 0.00 O ATOM 71 CB ALA A 8 3.524 7.649 5.192 1.00 0.00 C ATOM 0 H ALA A 8 3.585 5.117 5.324 1.00 0.00 H new ATOM 0 HA ALA A 8 1.548 7.092 4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.430 8.660 4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.290 7.653 6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.545 7.296 5.046 1.00 0.00 H new ATOM 77 N THR A 9 1.894 7.295 2.206 1.00 0.00 N ATOM 78 CA THR A 9 1.983 7.249 0.754 1.00 0.00 C ATOM 79 C THR A 9 2.051 8.640 0.131 1.00 0.00 C ATOM 80 O THR A 9 2.096 9.641 0.843 1.00 0.00 O ATOM 81 CB THR A 9 0.801 6.477 0.155 1.00 0.00 C ATOM 82 OG1 THR A 9 -0.423 6.968 0.696 1.00 0.00 O ATOM 83 CG2 THR A 9 0.919 4.994 0.443 1.00 0.00 C ATOM 0 H THR A 9 1.072 7.778 2.568 1.00 0.00 H new ATOM 0 HA THR A 9 2.912 6.730 0.519 1.00 0.00 H new ATOM 0 HB THR A 9 0.812 6.624 -0.925 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.174 6.472 0.308 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.068 4.470 0.007 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.842 4.611 0.008 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.931 4.833 1.521 1.00 0.00 H new ATOM 91 N LYS A 10 2.081 8.657 -1.206 1.00 0.00 N ATOM 92 CA LYS A 10 2.181 9.867 -2.035 1.00 0.00 C ATOM 93 C LYS A 10 1.594 11.123 -1.390 1.00 0.00 C ATOM 94 O LYS A 10 2.304 12.108 -1.180 1.00 0.00 O ATOM 95 CB LYS A 10 1.450 9.613 -3.350 1.00 0.00 C ATOM 96 CG LYS A 10 1.460 10.797 -4.302 1.00 0.00 C ATOM 97 CD LYS A 10 0.865 10.425 -5.645 1.00 0.00 C ATOM 98 CE LYS A 10 -0.584 9.981 -5.497 1.00 0.00 C ATOM 99 NZ LYS A 10 -1.122 9.402 -6.753 1.00 0.00 N ATOM 0 H LYS A 10 2.035 7.802 -1.760 1.00 0.00 H new ATOM 0 HA LYS A 10 3.245 10.059 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.905 8.756 -3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.416 9.343 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.895 11.622 -3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.483 11.148 -4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.920 11.279 -6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.450 9.624 -6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.657 9.243 -4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.195 10.833 -5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.099 9.082 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.109 10.124 -7.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.535 8.593 -7.042 1.00 0.00 H new ATOM 113 N ASP A 11 0.303 11.080 -1.075 1.00 0.00 N ATOM 114 CA ASP A 11 -0.432 12.274 -0.650 1.00 0.00 C ATOM 115 C ASP A 11 -0.112 12.660 0.788 1.00 0.00 C ATOM 116 O ASP A 11 -0.723 13.574 1.339 1.00 0.00 O ATOM 117 CB ASP A 11 -1.943 12.050 -0.777 1.00 0.00 C ATOM 118 CG ASP A 11 -2.367 11.569 -2.150 1.00 0.00 C ATOM 119 OD1 ASP A 11 -2.172 12.312 -3.131 1.00 0.00 O ATOM 120 OD2 ASP A 11 -2.894 10.437 -2.248 1.00 0.00 O ATOM 0 H ASP A 11 -0.260 10.230 -1.105 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.118 13.086 -1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.259 11.320 -0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.461 12.982 -0.551 1.00 0.00 H new ATOM 125 N GLY A 12 0.840 11.970 1.399 1.00 0.00 N ATOM 126 CA GLY A 12 1.138 12.206 2.796 1.00 0.00 C ATOM 127 C GLY A 12 0.018 11.704 3.675 1.00 0.00 C ATOM 128 O GLY A 12 -0.235 12.234 4.755 1.00 0.00 O ATOM 0 H GLY A 12 1.411 11.252 0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.069 11.706 3.064 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.289 13.272 2.965 1.00 0.00 H new ATOM 132 N ARG A 13 -0.663 10.679 3.193 1.00 0.00 N ATOM 133 CA ARG A 13 -1.794 10.113 3.899 1.00 0.00 C ATOM 134 C ARG A 13 -1.336 8.909 4.709 1.00 0.00 C ATOM 135 O ARG A 13 -0.642 8.025 4.195 1.00 0.00 O ATOM 136 CB ARG A 13 -2.898 9.732 2.906 1.00 0.00 C ATOM 137 CG ARG A 13 -2.449 8.737 1.851 1.00 0.00 C ATOM 138 CD ARG A 13 -3.264 8.843 0.572 1.00 0.00 C ATOM 139 NE ARG A 13 -4.668 8.498 0.761 1.00 0.00 N ATOM 140 CZ ARG A 13 -5.599 8.662 -0.177 1.00 0.00 C ATOM 141 NH1 ARG A 13 -5.274 9.211 -1.344 1.00 0.00 N ATOM 142 NH2 ARG A 13 -6.848 8.281 0.049 1.00 0.00 N ATOM 0 H ARG A 13 -0.448 10.220 2.308 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.206 10.852 4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.740 9.311 3.455 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.259 10.634 2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.396 8.903 1.623 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.533 7.726 2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.194 9.860 0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.832 8.186 -0.183 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.953 8.110 1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.313 9.505 -1.519 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.985 9.338 -2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.099 7.861 0.944 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.558 8.408 -0.672 1.00 0.00 H new ATOM 156 N MET A 14 -1.702 8.899 5.979 1.00 0.00 N ATOM 157 CA MET A 14 -1.298 7.838 6.885 1.00 0.00 C ATOM 158 C MET A 14 -2.293 6.692 6.813 1.00 0.00 C ATOM 159 O MET A 14 -3.340 6.731 7.457 1.00 0.00 O ATOM 160 CB MET A 14 -1.215 8.363 8.320 1.00 0.00 C ATOM 161 CG MET A 14 -0.357 9.609 8.472 1.00 0.00 C ATOM 162 SD MET A 14 1.380 9.308 8.101 1.00 0.00 S ATOM 163 CE MET A 14 1.849 8.283 9.491 1.00 0.00 C ATOM 0 H MET A 14 -2.283 9.619 6.408 1.00 0.00 H new ATOM 0 HA MET A 14 -0.313 7.480 6.586 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.222 8.582 8.675 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.815 7.578 8.961 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.736 10.388 7.811 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.447 9.985 9.491 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.543 8.830 10.129 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.960 8.019 10.064 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.329 7.375 9.127 1.00 0.00 H new ATOM 173 N ILE A 15 -1.987 5.691 6.004 1.00 0.00 N ATOM 174 CA ILE A 15 -2.868 4.545 5.861 1.00 0.00 C ATOM 175 C ILE A 15 -2.674 3.587 7.028 1.00 0.00 C ATOM 176 O ILE A 15 -1.614 2.968 7.172 1.00 0.00 O ATOM 177 CB ILE A 15 -2.631 3.805 4.528 1.00 0.00 C ATOM 178 CG1 ILE A 15 -2.818 4.771 3.351 1.00 0.00 C ATOM 179 CG2 ILE A 15 -3.575 2.613 4.401 1.00 0.00 C ATOM 180 CD1 ILE A 15 -2.593 4.136 1.994 1.00 0.00 C ATOM 0 H ILE A 15 -1.139 5.649 5.439 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.893 4.915 5.860 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.608 3.430 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.828 5.181 3.387 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.130 5.608 3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.393 2.104 3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.400 1.921 5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.607 2.961 4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.744 4.882 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.575 3.751 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.299 3.317 1.854 1.00 0.00 H new ATOM 192 N LEU A 16 -3.690 3.493 7.876 1.00 0.00 N ATOM 193 CA LEU A 16 -3.635 2.620 9.037 1.00 0.00 C ATOM 194 C LEU A 16 -3.867 1.175 8.628 1.00 0.00 C ATOM 195 O LEU A 16 -5.003 0.721 8.488 1.00 0.00 O ATOM 196 CB LEU A 16 -4.656 3.043 10.094 1.00 0.00 C ATOM 197 CG LEU A 16 -4.391 4.402 10.747 1.00 0.00 C ATOM 198 CD1 LEU A 16 -5.437 4.694 11.811 1.00 0.00 C ATOM 199 CD2 LEU A 16 -2.992 4.444 11.346 1.00 0.00 C ATOM 0 H LEU A 16 -4.563 4.012 7.780 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.640 2.706 9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.644 3.065 9.634 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.685 2.282 10.874 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.458 5.172 9.978 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.233 5.664 12.265 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.427 4.708 11.354 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.402 3.920 12.578 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.822 5.418 11.806 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.896 3.664 12.102 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.255 4.280 10.560 1.00 0.00 H new ATOM 211 N THR A 17 -2.773 0.474 8.410 1.00 0.00 N ATOM 212 CA THR A 17 -2.814 -0.910 8.001 1.00 0.00 C ATOM 213 C THR A 17 -2.635 -1.830 9.203 1.00 0.00 C ATOM 214 O THR A 17 -2.151 -1.402 10.255 1.00 0.00 O ATOM 215 CB THR A 17 -1.701 -1.191 6.971 1.00 0.00 C ATOM 216 OG1 THR A 17 -0.460 -0.636 7.437 1.00 0.00 O ATOM 217 CG2 THR A 17 -2.044 -0.597 5.610 1.00 0.00 C ATOM 0 H THR A 17 -1.831 0.851 8.512 1.00 0.00 H new ATOM 0 HA THR A 17 -3.786 -1.104 7.548 1.00 0.00 H new ATOM 0 HB THR A 17 -1.607 -2.271 6.859 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.246 -0.817 6.782 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.240 -0.812 4.906 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.973 -1.036 5.245 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.165 0.482 5.704 1.00 0.00 H new ATOM 225 N ASP A 18 -3.047 -3.084 9.054 1.00 0.00 N ATOM 226 CA ASP A 18 -2.734 -4.110 10.040 1.00 0.00 C ATOM 227 C ASP A 18 -1.218 -4.235 10.115 1.00 0.00 C ATOM 228 O ASP A 18 -0.629 -4.363 11.186 1.00 0.00 O ATOM 229 CB ASP A 18 -3.374 -5.444 9.642 1.00 0.00 C ATOM 230 CG ASP A 18 -3.116 -6.546 10.652 1.00 0.00 C ATOM 231 OD1 ASP A 18 -3.621 -6.444 11.794 1.00 0.00 O ATOM 232 OD2 ASP A 18 -2.433 -7.527 10.303 1.00 0.00 O ATOM 0 H ASP A 18 -3.598 -3.414 8.261 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.133 -3.836 11.017 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.449 -5.306 9.529 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.988 -5.751 8.670 1.00 0.00 H new ATOM 237 N GLY A 19 -0.610 -4.175 8.942 1.00 0.00 N ATOM 238 CA GLY A 19 0.825 -3.990 8.828 1.00 0.00 C ATOM 239 C GLY A 19 1.373 -4.814 7.699 1.00 0.00 C ATOM 240 O GLY A 19 0.619 -5.605 7.121 1.00 0.00 O ATOM 0 H GLY A 19 -1.095 -4.253 8.048 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.050 -2.937 8.660 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.310 -4.274 9.762 1.00 0.00 H new ATOM 244 N LYS A 20 2.650 -4.621 7.334 1.00 0.00 N ATOM 245 CA LYS A 20 3.307 -5.642 6.533 1.00 0.00 C ATOM 246 C LYS A 20 2.734 -5.760 5.123 1.00 0.00 C ATOM 247 O LYS A 20 1.978 -6.688 4.817 1.00 0.00 O ATOM 248 CB LYS A 20 3.350 -6.985 7.266 1.00 0.00 C ATOM 249 CG LYS A 20 4.242 -6.915 8.491 1.00 0.00 C ATOM 250 CD LYS A 20 4.450 -8.260 9.155 1.00 0.00 C ATOM 251 CE LYS A 20 5.438 -8.125 10.298 1.00 0.00 C ATOM 252 NZ LYS A 20 5.713 -9.414 10.978 1.00 0.00 N ATOM 0 H LYS A 20 3.218 -3.807 7.570 1.00 0.00 H new ATOM 0 HA LYS A 20 4.338 -5.316 6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.341 -7.272 7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.715 -7.759 6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.210 -6.505 8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.804 -6.225 9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.500 -8.642 9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.820 -8.982 8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.373 -7.714 9.917 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.050 -7.412 11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.394 -9.261 11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.828 -9.797 11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.110 -10.089 10.294 1.00 0.00 H new ATOM 266 N PRO A 21 3.067 -4.799 4.251 1.00 0.00 N ATOM 267 CA PRO A 21 2.605 -4.800 2.870 1.00 0.00 C ATOM 268 C PRO A 21 3.467 -5.683 1.969 1.00 0.00 C ATOM 269 O PRO A 21 4.680 -5.801 2.164 1.00 0.00 O ATOM 270 CB PRO A 21 2.729 -3.334 2.476 1.00 0.00 C ATOM 271 CG PRO A 21 3.881 -2.821 3.272 1.00 0.00 C ATOM 272 CD PRO A 21 3.917 -3.627 4.547 1.00 0.00 C ATOM 0 HA PRO A 21 1.598 -5.203 2.765 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.908 -3.226 1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.815 -2.785 2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.814 -2.930 2.718 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.761 -1.759 3.488 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.934 -3.925 4.802 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.531 -3.056 5.391 1.00 0.00 H new ATOM 280 N GLU A 22 2.830 -6.302 0.991 1.00 0.00 N ATOM 281 CA GLU A 22 3.519 -7.150 0.037 1.00 0.00 C ATOM 282 C GLU A 22 3.766 -6.398 -1.260 1.00 0.00 C ATOM 283 O GLU A 22 2.830 -6.083 -1.990 1.00 0.00 O ATOM 284 CB GLU A 22 2.693 -8.403 -0.263 1.00 0.00 C ATOM 285 CG GLU A 22 3.304 -9.282 -1.340 1.00 0.00 C ATOM 286 CD GLU A 22 2.350 -10.346 -1.843 1.00 0.00 C ATOM 287 OE1 GLU A 22 2.323 -11.448 -1.259 1.00 0.00 O ATOM 288 OE2 GLU A 22 1.629 -10.088 -2.829 1.00 0.00 O ATOM 0 H GLU A 22 1.824 -6.231 0.837 1.00 0.00 H new ATOM 0 HA GLU A 22 4.473 -7.442 0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.583 -8.985 0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.692 -8.104 -0.573 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.618 -8.658 -2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.200 -9.761 -0.946 1.00 0.00 H new ATOM 295 N ILE A 23 5.016 -6.101 -1.547 1.00 0.00 N ATOM 296 CA ILE A 23 5.355 -5.479 -2.809 1.00 0.00 C ATOM 297 C ILE A 23 5.462 -6.548 -3.886 1.00 0.00 C ATOM 298 O ILE A 23 6.441 -7.297 -3.941 1.00 0.00 O ATOM 299 CB ILE A 23 6.670 -4.685 -2.723 1.00 0.00 C ATOM 300 CG1 ILE A 23 6.598 -3.684 -1.565 1.00 0.00 C ATOM 301 CG2 ILE A 23 6.937 -3.976 -4.046 1.00 0.00 C ATOM 302 CD1 ILE A 23 7.822 -2.803 -1.431 1.00 0.00 C ATOM 0 H ILE A 23 5.808 -6.278 -0.929 1.00 0.00 H new ATOM 0 HA ILE A 23 4.564 -4.773 -3.061 1.00 0.00 H new ATOM 0 HB ILE A 23 7.496 -5.370 -2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.721 -3.051 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.455 -4.232 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.870 -3.416 -3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.015 -4.714 -4.845 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.118 -3.291 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.691 -2.124 -0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.701 -3.425 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.956 -2.225 -2.345 1.00 0.00 H new ATOM 314 N ASP A 24 4.433 -6.638 -4.709 1.00 0.00 N ATOM 315 CA ASP A 24 4.349 -7.681 -5.721 1.00 0.00 C ATOM 316 C ASP A 24 5.365 -7.470 -6.837 1.00 0.00 C ATOM 317 O ASP A 24 5.648 -6.342 -7.237 1.00 0.00 O ATOM 318 CB ASP A 24 2.936 -7.749 -6.298 1.00 0.00 C ATOM 319 CG ASP A 24 2.852 -8.654 -7.505 1.00 0.00 C ATOM 320 OD1 ASP A 24 3.219 -9.844 -7.394 1.00 0.00 O ATOM 321 OD2 ASP A 24 2.448 -8.164 -8.576 1.00 0.00 O ATOM 0 H ASP A 24 3.638 -5.998 -4.698 1.00 0.00 H new ATOM 0 HA ASP A 24 4.583 -8.629 -5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.249 -8.106 -5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.611 -6.746 -6.575 1.00 0.00 H new ATOM 326 N ASP A 25 5.898 -8.574 -7.328 1.00 0.00 N ATOM 327 CA ASP A 25 6.917 -8.562 -8.369 1.00 0.00 C ATOM 328 C ASP A 25 6.287 -8.607 -9.761 1.00 0.00 C ATOM 329 O ASP A 25 6.888 -8.161 -10.744 1.00 0.00 O ATOM 330 CB ASP A 25 7.854 -9.756 -8.163 1.00 0.00 C ATOM 331 CG ASP A 25 8.870 -9.934 -9.274 1.00 0.00 C ATOM 332 OD1 ASP A 25 9.926 -9.273 -9.230 1.00 0.00 O ATOM 333 OD2 ASP A 25 8.625 -10.758 -10.182 1.00 0.00 O ATOM 0 H ASP A 25 5.637 -9.510 -7.017 1.00 0.00 H new ATOM 0 HA ASP A 25 7.485 -7.634 -8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.381 -9.633 -7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.257 -10.664 -8.080 1.00 0.00 H new ATOM 338 N ASP A 26 5.065 -9.121 -9.840 1.00 0.00 N ATOM 339 CA ASP A 26 4.381 -9.276 -11.121 1.00 0.00 C ATOM 340 C ASP A 26 3.974 -7.920 -11.694 1.00 0.00 C ATOM 341 O ASP A 26 4.475 -7.500 -12.738 1.00 0.00 O ATOM 342 CB ASP A 26 3.144 -10.169 -10.968 1.00 0.00 C ATOM 343 CG ASP A 26 2.384 -10.346 -12.270 1.00 0.00 C ATOM 344 OD1 ASP A 26 1.509 -9.509 -12.574 1.00 0.00 O ATOM 345 OD2 ASP A 26 2.655 -11.328 -12.995 1.00 0.00 O ATOM 0 H ASP A 26 4.527 -9.438 -9.033 1.00 0.00 H new ATOM 0 HA ASP A 26 5.077 -9.750 -11.813 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.451 -11.146 -10.595 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.479 -9.737 -10.220 1.00 0.00 H new ATOM 350 N THR A 27 3.087 -7.224 -10.999 1.00 0.00 N ATOM 351 CA THR A 27 2.563 -5.958 -11.492 1.00 0.00 C ATOM 352 C THR A 27 3.110 -4.780 -10.688 1.00 0.00 C ATOM 353 O THR A 27 2.834 -3.619 -10.997 1.00 0.00 O ATOM 354 CB THR A 27 1.016 -5.943 -11.488 1.00 0.00 C ATOM 355 OG1 THR A 27 0.524 -4.669 -11.917 1.00 0.00 O ATOM 356 CG2 THR A 27 0.460 -6.266 -10.115 1.00 0.00 C ATOM 0 H THR A 27 2.715 -7.513 -10.094 1.00 0.00 H new ATOM 0 HA THR A 27 2.898 -5.853 -12.524 1.00 0.00 H new ATOM 0 HB THR A 27 0.682 -6.713 -12.184 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.158 -3.969 -11.656 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.629 -6.246 -10.150 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.796 -7.257 -9.811 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.813 -5.527 -9.396 1.00 0.00 H new ATOM 364 N GLY A 28 3.880 -5.084 -9.653 1.00 0.00 N ATOM 365 CA GLY A 28 4.536 -4.044 -8.893 1.00 0.00 C ATOM 366 C GLY A 28 3.576 -3.301 -7.999 1.00 0.00 C ATOM 367 O GLY A 28 3.771 -2.121 -7.706 1.00 0.00 O ATOM 0 H GLY A 28 4.061 -6.033 -9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.328 -4.484 -8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.011 -3.341 -9.577 1.00 0.00 H new ATOM 371 N LEU A 29 2.529 -3.983 -7.567 1.00 0.00 N ATOM 372 CA LEU A 29 1.555 -3.371 -6.688 1.00 0.00 C ATOM 373 C LEU A 29 1.821 -3.776 -5.245 1.00 0.00 C ATOM 374 O LEU A 29 2.206 -4.913 -4.970 1.00 0.00 O ATOM 375 CB LEU A 29 0.128 -3.747 -7.097 1.00 0.00 C ATOM 376 CG LEU A 29 -0.270 -3.363 -8.525 1.00 0.00 C ATOM 377 CD1 LEU A 29 -1.742 -3.651 -8.766 1.00 0.00 C ATOM 378 CD2 LEU A 29 0.038 -1.898 -8.801 1.00 0.00 C ATOM 0 H LEU A 29 2.335 -4.954 -7.810 1.00 0.00 H new ATOM 0 HA LEU A 29 1.653 -2.289 -6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.007 -4.824 -6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.567 -3.272 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 29 0.319 -3.969 -9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.005 -3.371 -9.786 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.933 -4.714 -8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.345 -3.074 -8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.254 -1.651 -9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.517 -1.272 -8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.106 -1.721 -8.676 1.00 0.00 H new ATOM 390 N VAL A 30 1.636 -2.836 -4.335 1.00 0.00 N ATOM 391 CA VAL A 30 1.883 -3.076 -2.924 1.00 0.00 C ATOM 392 C VAL A 30 0.601 -3.519 -2.225 1.00 0.00 C ATOM 393 O VAL A 30 -0.271 -2.702 -1.917 1.00 0.00 O ATOM 394 CB VAL A 30 2.455 -1.821 -2.233 1.00 0.00 C ATOM 395 CG1 VAL A 30 2.777 -2.102 -0.776 1.00 0.00 C ATOM 396 CG2 VAL A 30 3.690 -1.324 -2.966 1.00 0.00 C ATOM 0 H VAL A 30 1.313 -1.893 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 30 2.623 -3.873 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 30 1.695 -1.040 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.179 -1.201 -0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.869 -2.405 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.515 -2.902 -0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.079 -0.438 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.451 -2.104 -2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.427 -1.072 -3.993 1.00 0.00 H new ATOM 406 N SER A 31 0.488 -4.821 -2.013 1.00 0.00 N ATOM 407 CA SER A 31 -0.673 -5.414 -1.372 1.00 0.00 C ATOM 408 C SER A 31 -0.638 -5.158 0.132 1.00 0.00 C ATOM 409 O SER A 31 0.251 -5.641 0.829 1.00 0.00 O ATOM 410 CB SER A 31 -0.684 -6.921 -1.638 1.00 0.00 C ATOM 411 OG SER A 31 -0.351 -7.209 -2.988 1.00 0.00 O ATOM 0 H SER A 31 1.202 -5.498 -2.282 1.00 0.00 H new ATOM 0 HA SER A 31 -1.576 -4.961 -1.782 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.025 -7.415 -0.973 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.670 -7.325 -1.410 1.00 0.00 H new ATOM 0 HG SER A 31 -0.364 -8.179 -3.128 1.00 0.00 H new ATOM 417 N TYR A 32 -1.596 -4.400 0.632 1.00 0.00 N ATOM 418 CA TYR A 32 -1.635 -4.080 2.045 1.00 0.00 C ATOM 419 C TYR A 32 -2.939 -4.549 2.671 1.00 0.00 C ATOM 420 O TYR A 32 -3.844 -5.021 1.977 1.00 0.00 O ATOM 421 CB TYR A 32 -1.434 -2.576 2.264 1.00 0.00 C ATOM 422 CG TYR A 32 -2.527 -1.715 1.679 1.00 0.00 C ATOM 423 CD1 TYR A 32 -2.530 -1.378 0.333 1.00 0.00 C ATOM 424 CD2 TYR A 32 -3.553 -1.232 2.478 1.00 0.00 C ATOM 425 CE1 TYR A 32 -3.525 -0.582 -0.198 1.00 0.00 C ATOM 426 CE2 TYR A 32 -4.551 -0.439 1.954 1.00 0.00 C ATOM 427 CZ TYR A 32 -4.531 -0.115 0.616 1.00 0.00 C ATOM 428 OH TYR A 32 -5.521 0.682 0.090 1.00 0.00 O ATOM 0 H TYR A 32 -2.354 -3.996 0.082 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.818 -4.608 2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.367 -2.382 3.334 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.480 -2.281 1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.742 -1.744 -0.309 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.570 -1.482 3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.514 -0.327 -1.247 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.344 -0.074 2.589 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.155 0.926 0.797 1.00 0.00 H new ATOM 438 N HIS A 33 -3.023 -4.429 3.986 1.00 0.00 N ATOM 439 CA HIS A 33 -4.195 -4.870 4.729 1.00 0.00 C ATOM 440 C HIS A 33 -4.705 -3.741 5.601 1.00 0.00 C ATOM 441 O HIS A 33 -4.029 -3.347 6.548 1.00 0.00 O ATOM 442 CB HIS A 33 -3.860 -6.067 5.629 1.00 0.00 C ATOM 443 CG HIS A 33 -3.188 -7.203 4.927 1.00 0.00 C ATOM 444 ND1 HIS A 33 -1.852 -7.505 5.097 1.00 0.00 N ATOM 445 CD2 HIS A 33 -3.670 -8.119 4.056 1.00 0.00 C ATOM 446 CE1 HIS A 33 -1.546 -8.556 4.362 1.00 0.00 C ATOM 447 NE2 HIS A 33 -2.631 -8.950 3.721 1.00 0.00 N ATOM 0 H HIS A 33 -2.287 -4.026 4.566 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.956 -5.167 4.007 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.216 -5.726 6.440 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.781 -6.432 6.084 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.685 -8.184 3.692 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.572 -9.017 4.295 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.687 -9.743 3.081 1.00 0.00 H new ATOM 456 N ASP A 34 -5.872 -3.211 5.279 1.00 0.00 N ATOM 457 CA ASP A 34 -6.514 -2.225 6.139 1.00 0.00 C ATOM 458 C ASP A 34 -6.825 -2.846 7.486 1.00 0.00 C ATOM 459 O ASP A 34 -7.048 -4.054 7.578 1.00 0.00 O ATOM 460 CB ASP A 34 -7.827 -1.722 5.533 1.00 0.00 C ATOM 461 CG ASP A 34 -7.657 -0.585 4.547 1.00 0.00 C ATOM 462 OD1 ASP A 34 -6.513 -0.158 4.303 1.00 0.00 O ATOM 463 OD2 ASP A 34 -8.687 -0.104 4.023 1.00 0.00 O ATOM 0 H ASP A 34 -6.394 -3.443 4.434 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.826 -1.387 6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.325 -2.552 5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.485 -1.395 6.338 1.00 0.00 H new ATOM 468 N GLN A 35 -6.867 -2.026 8.523 1.00 0.00 N ATOM 469 CA GLN A 35 -7.296 -2.494 9.836 1.00 0.00 C ATOM 470 C GLN A 35 -8.750 -2.968 9.777 1.00 0.00 C ATOM 471 O GLN A 35 -9.212 -3.720 10.634 1.00 0.00 O ATOM 472 CB GLN A 35 -7.148 -1.387 10.883 1.00 0.00 C ATOM 473 CG GLN A 35 -7.768 -0.059 10.469 1.00 0.00 C ATOM 474 CD GLN A 35 -7.914 0.903 11.630 1.00 0.00 C ATOM 475 OE1 GLN A 35 -7.005 1.670 11.938 1.00 0.00 O ATOM 476 NE2 GLN A 35 -9.068 0.877 12.271 1.00 0.00 N ATOM 0 H GLN A 35 -6.612 -1.039 8.485 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.659 -3.330 10.126 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.609 -1.717 11.814 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.089 -1.234 11.088 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.151 0.401 9.697 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.748 -0.242 10.028 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.797 0.224 11.983 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.231 1.510 13.054 1.00 0.00 H new ATOM 485 N GLN A 36 -9.456 -2.533 8.740 1.00 0.00 N ATOM 486 CA GLN A 36 -10.857 -2.890 8.555 1.00 0.00 C ATOM 487 C GLN A 36 -10.989 -4.240 7.843 1.00 0.00 C ATOM 488 O GLN A 36 -12.097 -4.703 7.571 1.00 0.00 O ATOM 489 CB GLN A 36 -11.573 -1.803 7.749 1.00 0.00 C ATOM 490 CG GLN A 36 -11.353 -0.392 8.285 1.00 0.00 C ATOM 491 CD GLN A 36 -11.766 -0.241 9.735 1.00 0.00 C ATOM 492 OE1 GLN A 36 -10.974 -0.476 10.647 1.00 0.00 O ATOM 493 NE2 GLN A 36 -13.003 0.167 9.960 1.00 0.00 N ATOM 0 H GLN A 36 -9.078 -1.929 8.010 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.320 -2.974 9.538 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.231 -1.846 6.715 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.642 -2.015 7.740 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.300 -0.130 8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.917 0.315 7.676 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.630 0.351 9.177 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.331 0.297 10.917 1.00 0.00 H new ATOM 502 N GLY A 37 -9.852 -4.858 7.535 1.00 0.00 N ATOM 503 CA GLY A 37 -9.857 -6.165 6.898 1.00 0.00 C ATOM 504 C GLY A 37 -9.797 -6.084 5.385 1.00 0.00 C ATOM 505 O GLY A 37 -10.000 -7.084 4.696 1.00 0.00 O ATOM 0 H GLY A 37 -8.924 -4.476 7.716 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.007 -6.743 7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.758 -6.704 7.193 1.00 0.00 H new ATOM 509 N ASN A 38 -9.505 -4.900 4.866 1.00 0.00 N ATOM 510 CA ASN A 38 -9.463 -4.693 3.420 1.00 0.00 C ATOM 511 C ASN A 38 -8.134 -5.148 2.838 1.00 0.00 C ATOM 512 O ASN A 38 -7.088 -4.563 3.123 1.00 0.00 O ATOM 513 CB ASN A 38 -9.689 -3.220 3.072 1.00 0.00 C ATOM 514 CG ASN A 38 -11.075 -2.729 3.439 1.00 0.00 C ATOM 515 OD1 ASN A 38 -12.049 -3.480 3.382 1.00 0.00 O ATOM 516 ND2 ASN A 38 -11.171 -1.466 3.826 1.00 0.00 N ATOM 0 H ASN A 38 -9.294 -4.069 5.419 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.263 -5.291 2.985 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.946 -2.613 3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.530 -3.077 2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.078 -1.081 4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.338 -0.878 3.859 1.00 0.00 H new ATOM 523 N ALA A 39 -8.176 -6.196 2.032 1.00 0.00 N ATOM 524 CA ALA A 39 -6.992 -6.670 1.335 1.00 0.00 C ATOM 525 C ALA A 39 -6.955 -6.104 -0.079 1.00 0.00 C ATOM 526 O ALA A 39 -7.735 -6.514 -0.942 1.00 0.00 O ATOM 527 CB ALA A 39 -6.964 -8.192 1.307 1.00 0.00 C ATOM 0 H ALA A 39 -9.020 -6.736 1.844 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.108 -6.324 1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.071 -8.530 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.951 -8.575 2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.850 -8.563 0.792 1.00 0.00 H new ATOM 533 N MET A 40 -6.059 -5.154 -0.311 1.00 0.00 N ATOM 534 CA MET A 40 -5.949 -4.507 -1.616 1.00 0.00 C ATOM 535 C MET A 40 -4.558 -3.928 -1.806 1.00 0.00 C ATOM 536 O MET A 40 -3.717 -4.035 -0.920 1.00 0.00 O ATOM 537 CB MET A 40 -7.027 -3.428 -1.792 1.00 0.00 C ATOM 538 CG MET A 40 -7.129 -2.446 -0.640 1.00 0.00 C ATOM 539 SD MET A 40 -8.585 -1.390 -0.778 1.00 0.00 S ATOM 540 CE MET A 40 -8.474 -0.446 0.741 1.00 0.00 C ATOM 0 H MET A 40 -5.397 -4.813 0.386 1.00 0.00 H new ATOM 0 HA MET A 40 -6.112 -5.262 -2.385 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.822 -2.874 -2.708 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.993 -3.916 -1.924 1.00 0.00 H new ATOM 0 HG2 MET A 40 -7.167 -2.994 0.301 1.00 0.00 H new ATOM 0 HG3 MET A 40 -6.233 -1.826 -0.612 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.416 -0.518 1.284 1.00 0.00 H new ATOM 0 HE2 MET A 40 -7.668 -0.843 1.358 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.270 0.599 0.506 1.00 0.00 H new ATOM 550 N GLN A 41 -4.311 -3.314 -2.952 1.00 0.00 N ATOM 551 CA GLN A 41 -2.956 -2.911 -3.312 1.00 0.00 C ATOM 552 C GLN A 41 -2.882 -1.429 -3.671 1.00 0.00 C ATOM 553 O GLN A 41 -3.896 -0.803 -3.981 1.00 0.00 O ATOM 554 CB GLN A 41 -2.455 -3.731 -4.507 1.00 0.00 C ATOM 555 CG GLN A 41 -2.510 -5.236 -4.297 1.00 0.00 C ATOM 556 CD GLN A 41 -3.661 -5.905 -5.030 1.00 0.00 C ATOM 557 OE1 GLN A 41 -3.577 -7.072 -5.408 1.00 0.00 O ATOM 558 NE2 GLN A 41 -4.738 -5.170 -5.252 1.00 0.00 N ATOM 0 H GLN A 41 -5.023 -3.084 -3.646 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.327 -3.092 -2.440 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.050 -3.476 -5.384 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.427 -3.443 -4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.571 -5.677 -4.631 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.598 -5.444 -3.231 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.773 -4.205 -4.924 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.533 -5.568 -5.751 1.00 0.00 H new ATOM 567 N ILE A 42 -1.681 -0.869 -3.600 1.00 0.00 N ATOM 568 CA ILE A 42 -1.406 0.431 -4.200 1.00 0.00 C ATOM 569 C ILE A 42 -0.284 0.273 -5.215 1.00 0.00 C ATOM 570 O ILE A 42 0.228 -0.827 -5.409 1.00 0.00 O ATOM 571 CB ILE A 42 -0.994 1.525 -3.185 1.00 0.00 C ATOM 572 CG1 ILE A 42 0.383 1.238 -2.593 1.00 0.00 C ATOM 573 CG2 ILE A 42 -2.022 1.654 -2.073 1.00 0.00 C ATOM 574 CD1 ILE A 42 1.100 2.486 -2.146 1.00 0.00 C ATOM 0 H ILE A 42 -0.881 -1.295 -3.132 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.338 0.761 -4.658 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.947 2.470 -3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.275 0.563 -1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.992 0.721 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.707 2.429 -1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.989 1.921 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.109 0.704 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.073 2.219 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.237 3.152 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.509 2.991 -1.382 1.00 0.00 H new ATOM 586 N ASN A 43 0.098 1.356 -5.855 1.00 0.00 N ATOM 587 CA ASN A 43 1.190 1.320 -6.820 1.00 0.00 C ATOM 588 C ASN A 43 2.526 1.560 -6.125 1.00 0.00 C ATOM 589 O ASN A 43 2.611 2.364 -5.197 1.00 0.00 O ATOM 590 CB ASN A 43 0.961 2.376 -7.894 1.00 0.00 C ATOM 591 CG ASN A 43 1.961 2.293 -9.033 1.00 0.00 C ATOM 592 OD1 ASN A 43 2.486 1.225 -9.346 1.00 0.00 O ATOM 593 ND2 ASN A 43 2.241 3.426 -9.649 1.00 0.00 N ATOM 0 H ASN A 43 -0.327 2.275 -5.729 1.00 0.00 H new ATOM 0 HA ASN A 43 1.216 0.334 -7.285 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.047 2.266 -8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.017 3.365 -7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.915 3.437 -10.415 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.784 4.291 -9.359 1.00 0.00 H new ATOM 600 N ARG A 44 3.572 0.873 -6.580 1.00 0.00 N ATOM 601 CA ARG A 44 4.897 0.997 -5.970 1.00 0.00 C ATOM 602 C ARG A 44 5.480 2.391 -6.195 1.00 0.00 C ATOM 603 O ARG A 44 6.414 2.807 -5.510 1.00 0.00 O ATOM 604 CB ARG A 44 5.856 -0.063 -6.523 1.00 0.00 C ATOM 605 CG ARG A 44 6.157 0.084 -8.009 1.00 0.00 C ATOM 606 CD ARG A 44 7.210 -0.914 -8.458 1.00 0.00 C ATOM 607 NE ARG A 44 7.557 -0.755 -9.870 1.00 0.00 N ATOM 608 CZ ARG A 44 8.808 -0.637 -10.312 1.00 0.00 C ATOM 609 NH1 ARG A 44 9.816 -0.595 -9.450 1.00 0.00 N ATOM 610 NH2 ARG A 44 9.057 -0.553 -11.614 1.00 0.00 N ATOM 0 H ARG A 44 3.529 0.226 -7.367 1.00 0.00 H new ATOM 0 HA ARG A 44 4.778 0.839 -4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.792 -0.015 -5.967 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.430 -1.051 -6.346 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.243 -0.064 -8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.502 1.097 -8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.106 -0.792 -7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.844 -1.927 -8.287 1.00 0.00 H new ATOM 0 HE ARG A 44 6.800 -0.733 -10.553 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.633 -0.653 -8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.774 -0.505 -9.789 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.288 -0.579 -12.283 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.018 -0.463 -11.945 1.00 0.00 H new ATOM 624 N ASP A 45 4.927 3.107 -7.161 1.00 0.00 N ATOM 625 CA ASP A 45 5.375 4.458 -7.468 1.00 0.00 C ATOM 626 C ASP A 45 4.731 5.462 -6.515 1.00 0.00 C ATOM 627 O ASP A 45 5.220 6.577 -6.342 1.00 0.00 O ATOM 628 CB ASP A 45 5.037 4.806 -8.922 1.00 0.00 C ATOM 629 CG ASP A 45 5.498 6.190 -9.327 1.00 0.00 C ATOM 630 OD1 ASP A 45 6.714 6.372 -9.554 1.00 0.00 O ATOM 631 OD2 ASP A 45 4.645 7.097 -9.437 1.00 0.00 O ATOM 0 H ASP A 45 4.163 2.774 -7.749 1.00 0.00 H new ATOM 0 HA ASP A 45 6.456 4.507 -7.339 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.497 4.070 -9.581 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.959 4.733 -9.065 1.00 0.00 H new ATOM 636 N ASP A 46 3.654 5.039 -5.864 1.00 0.00 N ATOM 637 CA ASP A 46 2.883 5.922 -4.997 1.00 0.00 C ATOM 638 C ASP A 46 3.238 5.711 -3.529 1.00 0.00 C ATOM 639 O ASP A 46 2.571 6.237 -2.634 1.00 0.00 O ATOM 640 CB ASP A 46 1.386 5.696 -5.214 1.00 0.00 C ATOM 641 CG ASP A 46 0.924 6.167 -6.581 1.00 0.00 C ATOM 642 OD1 ASP A 46 1.032 5.396 -7.558 1.00 0.00 O ATOM 643 OD2 ASP A 46 0.453 7.313 -6.693 1.00 0.00 O ATOM 0 H ASP A 46 3.294 4.086 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 46 3.133 6.950 -5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.161 4.635 -5.103 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.826 6.223 -4.442 1.00 0.00 H new ATOM 648 N VAL A 47 4.294 4.946 -3.288 1.00 0.00 N ATOM 649 CA VAL A 47 4.763 4.695 -1.931 1.00 0.00 C ATOM 650 C VAL A 47 5.707 5.811 -1.488 1.00 0.00 C ATOM 651 O VAL A 47 6.653 6.146 -2.199 1.00 0.00 O ATOM 652 CB VAL A 47 5.506 3.342 -1.825 1.00 0.00 C ATOM 653 CG1 VAL A 47 5.745 2.967 -0.373 1.00 0.00 C ATOM 654 CG2 VAL A 47 4.741 2.240 -2.538 1.00 0.00 C ATOM 0 H VAL A 47 4.843 4.488 -4.015 1.00 0.00 H new ATOM 0 HA VAL A 47 3.886 4.663 -1.284 1.00 0.00 H new ATOM 0 HB VAL A 47 6.473 3.457 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.269 2.012 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.349 3.737 0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.789 2.882 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.287 1.301 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.754 2.132 -2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.632 2.496 -3.592 1.00 0.00 H new ATOM 664 N SER A 48 5.442 6.398 -0.328 1.00 0.00 N ATOM 665 CA SER A 48 6.295 7.454 0.192 1.00 0.00 C ATOM 666 C SER A 48 7.385 6.857 1.080 1.00 0.00 C ATOM 667 O SER A 48 8.560 6.855 0.709 1.00 0.00 O ATOM 668 CB SER A 48 5.457 8.490 0.955 1.00 0.00 C ATOM 669 OG SER A 48 6.266 9.504 1.530 1.00 0.00 O ATOM 0 H SER A 48 4.648 6.161 0.266 1.00 0.00 H new ATOM 0 HA SER A 48 6.779 7.965 -0.640 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.734 8.943 0.277 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.888 7.991 1.739 1.00 0.00 H new ATOM 0 HG SER A 48 5.698 10.145 2.006 1.00 0.00 H new ATOM 675 N GLN A 49 6.988 6.332 2.240 1.00 0.00 N ATOM 676 CA GLN A 49 7.917 5.677 3.156 1.00 0.00 C ATOM 677 C GLN A 49 7.170 5.170 4.384 1.00 0.00 C ATOM 678 O GLN A 49 6.174 5.764 4.799 1.00 0.00 O ATOM 679 CB GLN A 49 9.031 6.643 3.587 1.00 0.00 C ATOM 680 CG GLN A 49 10.091 6.000 4.469 1.00 0.00 C ATOM 681 CD GLN A 49 11.262 6.916 4.747 1.00 0.00 C ATOM 682 OE1 GLN A 49 11.256 7.682 5.709 1.00 0.00 O ATOM 683 NE2 GLN A 49 12.284 6.838 3.909 1.00 0.00 N ATOM 0 H GLN A 49 6.022 6.349 2.567 1.00 0.00 H new ATOM 0 HA GLN A 49 8.371 4.833 2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.510 7.051 2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.586 7.482 4.122 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.637 5.702 5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.453 5.091 3.989 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.250 6.189 3.123 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.105 7.427 4.050 1.00 0.00 H new ATOM 692 N ILE A 50 7.636 4.065 4.947 1.00 0.00 N ATOM 693 CA ILE A 50 7.081 3.556 6.189 1.00 0.00 C ATOM 694 C ILE A 50 7.709 4.313 7.356 1.00 0.00 C ATOM 695 O ILE A 50 8.924 4.265 7.551 1.00 0.00 O ATOM 696 CB ILE A 50 7.341 2.040 6.354 1.00 0.00 C ATOM 697 CG1 ILE A 50 6.839 1.268 5.125 1.00 0.00 C ATOM 698 CG2 ILE A 50 6.679 1.517 7.624 1.00 0.00 C ATOM 699 CD1 ILE A 50 5.361 1.448 4.845 1.00 0.00 C ATOM 0 H ILE A 50 8.397 3.505 4.562 1.00 0.00 H new ATOM 0 HA ILE A 50 6.002 3.706 6.171 1.00 0.00 H new ATOM 0 HB ILE A 50 8.416 1.885 6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.406 1.589 4.251 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.045 0.207 5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.873 0.449 7.722 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.086 2.041 8.489 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.604 1.687 7.570 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.085 0.871 3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.783 1.099 5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.150 2.503 4.670 1.00 0.00 H new ATOM 711 N ILE A 51 6.892 5.029 8.106 1.00 0.00 N ATOM 712 CA ILE A 51 7.392 5.861 9.188 1.00 0.00 C ATOM 713 C ILE A 51 6.988 5.291 10.547 1.00 0.00 C ATOM 714 O ILE A 51 5.807 5.103 10.837 1.00 0.00 O ATOM 715 CB ILE A 51 6.903 7.326 9.043 1.00 0.00 C ATOM 716 CG1 ILE A 51 7.348 8.166 10.248 1.00 0.00 C ATOM 717 CG2 ILE A 51 5.389 7.383 8.865 1.00 0.00 C ATOM 718 CD1 ILE A 51 6.958 9.626 10.155 1.00 0.00 C ATOM 0 H ILE A 51 5.879 5.052 7.987 1.00 0.00 H new ATOM 0 HA ILE A 51 8.480 5.862 9.127 1.00 0.00 H new ATOM 0 HB ILE A 51 7.358 7.749 8.147 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.916 7.741 11.154 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.431 8.095 10.348 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.073 8.422 8.766 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.107 6.831 7.969 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.904 6.938 9.733 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.307 10.153 11.043 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.412 10.068 9.268 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.873 9.709 10.087 1.00 0.00 H new ATOM 730 N GLU A 52 7.987 5.016 11.375 1.00 0.00 N ATOM 731 CA GLU A 52 7.764 4.445 12.698 1.00 0.00 C ATOM 732 C GLU A 52 7.512 5.557 13.727 1.00 0.00 C ATOM 733 O GLU A 52 8.126 5.595 14.794 1.00 0.00 O ATOM 734 CB GLU A 52 8.978 3.587 13.091 1.00 0.00 C ATOM 735 CG GLU A 52 8.795 2.779 14.370 1.00 0.00 C ATOM 736 CD GLU A 52 9.997 1.915 14.694 1.00 0.00 C ATOM 737 OE1 GLU A 52 11.108 2.461 14.869 1.00 0.00 O ATOM 738 OE2 GLU A 52 9.836 0.678 14.792 1.00 0.00 O ATOM 0 H GLU A 52 8.968 5.181 11.151 1.00 0.00 H new ATOM 0 HA GLU A 52 6.878 3.810 12.677 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.203 2.902 12.273 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.844 4.238 13.209 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.607 3.459 15.201 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.913 2.145 14.271 1.00 0.00 H new ATOM 745 N ARG A 53 6.603 6.469 13.396 1.00 0.00 N ATOM 746 CA ARG A 53 6.263 7.564 14.292 1.00 0.00 C ATOM 747 C ARG A 53 4.981 8.246 13.824 1.00 0.00 C ATOM 748 O ARG A 53 4.806 8.495 12.633 1.00 0.00 O ATOM 749 CB ARG A 53 7.414 8.577 14.365 1.00 0.00 C ATOM 750 CG ARG A 53 7.343 9.463 15.594 1.00 0.00 C ATOM 751 CD ARG A 53 8.612 10.275 15.789 1.00 0.00 C ATOM 752 NE ARG A 53 8.652 10.883 17.120 1.00 0.00 N ATOM 753 CZ ARG A 53 9.552 11.782 17.515 1.00 0.00 C ATOM 754 NH1 ARG A 53 10.482 12.216 16.673 1.00 0.00 N ATOM 755 NH2 ARG A 53 9.526 12.248 18.761 1.00 0.00 N ATOM 0 H ARG A 53 6.090 6.470 12.514 1.00 0.00 H new ATOM 0 HA ARG A 53 6.100 7.159 15.291 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.363 8.041 14.364 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.399 9.201 13.472 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.492 10.138 15.505 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.169 8.846 16.475 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.482 9.633 15.653 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.669 11.054 15.029 1.00 0.00 H new ATOM 0 HE ARG A 53 7.940 10.598 17.793 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.510 11.861 15.717 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.168 12.905 16.982 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.816 11.917 19.415 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.216 12.936 19.063 1.00 0.00 H new TER 769 ARG A 53