USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 499 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 66 TYR OH : rot 0:sc= -0.35 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.0185 USER MOD Set 1.3: A 70 SER OG : rot 172:sc= 1.3 USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0.0184 USER MOD Set 2.2: A 36 HIS : no HD1:sc= 0 X(o=0.018,f=0.018) USER MOD Set 3.1: A 13 THR OG1 : rot -119:sc= 1.13 USER MOD Set 3.2: A 16 GLN :FLIP amide:sc= 0.464 F(o=0.48,f=1.6) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.864 F(o=-5.3!,f=-0.86) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 22 THR OG1 : rot 39:sc= 0.847 USER MOD Single : A 23 THR OG1 : rot 71:sc= 1.05 USER MOD Single : A 24 TYR OH : rot 110:sc= 0.203 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 26 ASN : amide:sc= -2.83! C(o=-2.8!,f=-8!) USER MOD Single : A 28 THR OG1 : rot -11:sc= 0.0773 USER MOD Single : A 33 GLN :FLIP amide:sc=-0.000437 F(o=-2.1,f=-0.00044) USER MOD Single : A 44 THR OG1 : rot -92:sc= 0.103 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc=-0.00468 X(o=-0.0047,f=-0.055) USER MOD Single : A 64 ASN : amide:sc= -0.102 K(o=-0.1,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 11.219 3.045 5.278 1.00 0.00 N ATOM 2 CA GLY A 10 10.327 4.170 5.500 1.00 0.00 C ATOM 3 C GLY A 10 9.304 4.327 4.392 1.00 0.00 C ATOM 4 O GLY A 10 8.368 3.535 4.304 1.00 0.00 O ATOM 0 HA2 GLY A 10 9.811 4.038 6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.914 5.085 5.580 1.00 0.00 H new ATOM 8 N PRO A 11 9.441 5.350 3.531 1.00 0.00 N ATOM 9 CA PRO A 11 8.529 5.567 2.414 1.00 0.00 C ATOM 10 C PRO A 11 8.774 4.576 1.279 1.00 0.00 C ATOM 11 O PRO A 11 9.715 3.778 1.321 1.00 0.00 O ATOM 12 CB PRO A 11 8.836 7.003 1.947 1.00 0.00 C ATOM 13 CG PRO A 11 9.821 7.554 2.927 1.00 0.00 C ATOM 14 CD PRO A 11 10.488 6.376 3.573 1.00 0.00 C ATOM 0 HA PRO A 11 7.490 5.426 2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.247 7.005 0.938 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.929 7.608 1.923 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.553 8.187 2.426 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.321 8.173 3.672 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.380 6.067 3.028 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.798 6.596 4.594 1.00 0.00 H new ATOM 22 N PHE A 12 7.931 4.629 0.265 1.00 0.00 N ATOM 23 CA PHE A 12 8.055 3.738 -0.874 1.00 0.00 C ATOM 24 C PHE A 12 8.055 4.531 -2.168 1.00 0.00 C ATOM 25 O PHE A 12 7.625 5.681 -2.199 1.00 0.00 O ATOM 26 CB PHE A 12 6.916 2.718 -0.887 1.00 0.00 C ATOM 27 CG PHE A 12 5.536 3.336 -0.928 1.00 0.00 C ATOM 28 CD1 PHE A 12 4.932 3.656 -2.136 1.00 0.00 C ATOM 29 CD2 PHE A 12 4.842 3.598 0.246 1.00 0.00 C ATOM 30 CE1 PHE A 12 3.670 4.220 -2.171 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.579 4.161 0.213 1.00 0.00 C ATOM 32 CZ PHE A 12 2.994 4.473 -0.997 1.00 0.00 C ATOM 0 H PHE A 12 7.150 5.282 0.207 1.00 0.00 H new ATOM 0 HA PHE A 12 9.001 3.203 -0.787 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.036 2.066 -1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.995 2.089 -0.000 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.455 3.462 -3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.294 3.359 1.197 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.214 4.462 -3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.051 4.356 1.134 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.009 4.914 -1.024 1.00 0.00 H new ATOM 42 N THR A 13 8.532 3.909 -3.230 1.00 0.00 N ATOM 43 CA THR A 13 8.550 4.544 -4.531 1.00 0.00 C ATOM 44 C THR A 13 7.410 4.008 -5.377 1.00 0.00 C ATOM 45 O THR A 13 6.753 3.035 -4.995 1.00 0.00 O ATOM 46 CB THR A 13 9.880 4.285 -5.259 1.00 0.00 C ATOM 47 OG1 THR A 13 9.991 2.895 -5.597 1.00 0.00 O ATOM 48 CG2 THR A 13 11.051 4.678 -4.381 1.00 0.00 C ATOM 0 H THR A 13 8.913 2.963 -3.215 1.00 0.00 H new ATOM 0 HA THR A 13 8.437 5.618 -4.383 1.00 0.00 H new ATOM 0 HB THR A 13 9.896 4.887 -6.168 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.779 2.513 -5.157 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.984 4.488 -4.912 1.00 0.00 H new ATOM 0 HG22 THR A 13 10.982 5.738 -4.136 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.030 4.091 -3.463 1.00 0.00 H new ATOM 56 N ARG A 14 7.181 4.637 -6.515 1.00 0.00 N ATOM 57 CA ARG A 14 6.174 4.182 -7.458 1.00 0.00 C ATOM 58 C ARG A 14 6.490 2.757 -7.905 1.00 0.00 C ATOM 59 O ARG A 14 5.612 1.896 -7.951 1.00 0.00 O ATOM 60 CB ARG A 14 6.144 5.128 -8.656 1.00 0.00 C ATOM 61 CG ARG A 14 4.816 5.165 -9.392 1.00 0.00 C ATOM 62 CD ARG A 14 4.789 6.310 -10.391 1.00 0.00 C ATOM 63 NE ARG A 14 3.471 6.502 -10.997 1.00 0.00 N ATOM 64 CZ ARG A 14 2.496 7.232 -10.450 1.00 0.00 C ATOM 65 NH1 ARG A 14 2.679 7.820 -9.275 1.00 0.00 N ATOM 66 NH2 ARG A 14 1.350 7.391 -11.091 1.00 0.00 N ATOM 0 H ARG A 14 7.684 5.473 -6.811 1.00 0.00 H new ATOM 0 HA ARG A 14 5.194 4.183 -6.981 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.385 6.135 -8.315 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.926 4.833 -9.356 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.655 4.220 -9.910 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.001 5.280 -8.677 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.091 7.230 -9.891 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.521 6.119 -11.176 1.00 0.00 H new ATOM 0 HE ARG A 14 3.286 6.050 -11.893 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.568 7.715 -8.785 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.931 8.377 -8.861 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.211 6.956 -12.003 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.605 7.949 -10.673 1.00 0.00 H new ATOM 80 N ARG A 15 7.763 2.517 -8.199 1.00 0.00 N ATOM 81 CA ARG A 15 8.233 1.203 -8.632 1.00 0.00 C ATOM 82 C ARG A 15 8.083 0.169 -7.515 1.00 0.00 C ATOM 83 O ARG A 15 7.628 -0.953 -7.753 1.00 0.00 O ATOM 84 CB ARG A 15 9.697 1.289 -9.072 1.00 0.00 C ATOM 85 CG ARG A 15 10.248 -0.006 -9.653 1.00 0.00 C ATOM 86 CD ARG A 15 9.476 -0.452 -10.886 1.00 0.00 C ATOM 87 NE ARG A 15 9.494 0.552 -11.949 1.00 0.00 N ATOM 88 CZ ARG A 15 9.827 0.295 -13.213 1.00 0.00 C ATOM 89 NH1 ARG A 15 10.229 -0.920 -13.570 1.00 0.00 N ATOM 90 NH2 ARG A 15 9.765 1.258 -14.125 1.00 0.00 N ATOM 0 H ARG A 15 8.497 3.223 -8.145 1.00 0.00 H new ATOM 0 HA ARG A 15 7.621 0.884 -9.476 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.796 2.080 -9.816 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.306 1.579 -8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.298 0.131 -9.913 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.206 -0.789 -8.896 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.902 -1.382 -11.261 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.444 -0.664 -10.608 1.00 0.00 H new ATOM 0 HE ARG A 15 9.235 1.509 -11.708 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.284 -1.664 -12.874 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.482 -1.109 -14.540 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.462 2.195 -13.858 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.020 1.061 -15.093 1.00 0.00 H new ATOM 104 N GLN A 16 8.478 0.545 -6.299 1.00 0.00 N ATOM 105 CA GLN A 16 8.361 -0.351 -5.152 1.00 0.00 C ATOM 106 C GLN A 16 6.906 -0.697 -4.880 1.00 0.00 C ATOM 107 O GLN A 16 6.568 -1.865 -4.724 1.00 0.00 O ATOM 108 CB GLN A 16 8.997 0.261 -3.900 1.00 0.00 C ATOM 109 CG GLN A 16 10.393 -0.265 -3.609 1.00 0.00 C ATOM 110 CD GLN A 16 11.372 -0.006 -4.735 1.00 0.00 C ATOM 111 OE1 GLN A 16 12.075 1.111 -4.662 1.00 0.00 O flip ATOM 112 NE2 GLN A 16 11.507 -0.810 -5.655 1.00 0.00 N flip ATOM 0 H GLN A 16 8.879 1.458 -6.085 1.00 0.00 H new ATOM 0 HA GLN A 16 8.899 -1.266 -5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.043 1.344 -4.018 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.356 0.061 -3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.767 0.199 -2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.339 -1.337 -3.422 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.945 -1.661 -5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.181 -0.626 -6.398 1.00 0.00 H new ATOM 121 N ALA A 17 6.053 0.320 -4.848 1.00 0.00 N ATOM 122 CA ALA A 17 4.625 0.124 -4.598 1.00 0.00 C ATOM 123 C ALA A 17 4.032 -0.931 -5.529 1.00 0.00 C ATOM 124 O ALA A 17 3.432 -1.908 -5.073 1.00 0.00 O ATOM 125 CB ALA A 17 3.881 1.440 -4.755 1.00 0.00 C ATOM 0 H ALA A 17 6.324 1.293 -4.992 1.00 0.00 H new ATOM 0 HA ALA A 17 4.511 -0.234 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.819 1.282 -4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.272 2.166 -4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.018 1.817 -5.769 1.00 0.00 H new ATOM 131 N GLN A 18 4.238 -0.740 -6.829 1.00 0.00 N ATOM 132 CA GLN A 18 3.685 -1.623 -7.848 1.00 0.00 C ATOM 133 C GLN A 18 4.109 -3.073 -7.633 1.00 0.00 C ATOM 134 O GLN A 18 3.306 -3.998 -7.767 1.00 0.00 O ATOM 135 CB GLN A 18 4.146 -1.165 -9.226 1.00 0.00 C ATOM 136 CG GLN A 18 3.670 0.227 -9.626 1.00 0.00 C ATOM 137 CD GLN A 18 2.190 0.307 -9.974 1.00 0.00 C ATOM 138 OE1 GLN A 18 1.362 -0.506 -9.336 1.00 0.00 O flip ATOM 139 NE2 GLN A 18 1.793 1.119 -10.814 1.00 0.00 N flip ATOM 0 H GLN A 18 4.792 0.030 -7.204 1.00 0.00 H new ATOM 0 HA GLN A 18 2.599 -1.574 -7.775 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.235 -1.184 -9.255 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.795 -1.882 -9.969 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.877 0.918 -8.809 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.252 0.565 -10.484 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.459 1.730 -11.287 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.799 1.179 -11.036 1.00 0.00 H new ATOM 148 N ALA A 19 5.374 -3.262 -7.301 1.00 0.00 N ATOM 149 CA ALA A 19 5.918 -4.594 -7.081 1.00 0.00 C ATOM 150 C ALA A 19 5.239 -5.288 -5.902 1.00 0.00 C ATOM 151 O ALA A 19 5.096 -6.514 -5.879 1.00 0.00 O ATOM 152 CB ALA A 19 7.418 -4.512 -6.848 1.00 0.00 C ATOM 0 H ALA A 19 6.048 -2.507 -7.177 1.00 0.00 H new ATOM 0 HA ALA A 19 5.724 -5.188 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.816 -5.513 -6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.898 -4.069 -7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.617 -3.895 -5.972 1.00 0.00 H new ATOM 158 N VAL A 20 4.760 -4.511 -4.947 1.00 0.00 N ATOM 159 CA VAL A 20 4.246 -5.091 -3.729 1.00 0.00 C ATOM 160 C VAL A 20 2.772 -5.344 -3.910 1.00 0.00 C ATOM 161 O VAL A 20 2.162 -6.097 -3.164 1.00 0.00 O ATOM 162 CB VAL A 20 4.497 -4.194 -2.499 1.00 0.00 C ATOM 163 CG1 VAL A 20 4.178 -4.937 -1.209 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.935 -3.714 -2.477 1.00 0.00 C ATOM 0 H VAL A 20 4.718 -3.493 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 20 4.773 -6.026 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 20 3.836 -3.330 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.363 -4.283 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.131 -5.240 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.811 -5.821 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.094 -3.083 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.605 -4.573 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.141 -3.141 -3.381 1.00 0.00 H new ATOM 174 N THR A 21 2.211 -4.731 -4.939 1.00 0.00 N ATOM 175 CA THR A 21 0.838 -4.986 -5.301 1.00 0.00 C ATOM 176 C THR A 21 0.735 -6.275 -6.100 1.00 0.00 C ATOM 177 O THR A 21 -0.290 -6.954 -6.078 1.00 0.00 O ATOM 178 CB THR A 21 0.252 -3.841 -6.123 1.00 0.00 C ATOM 179 OG1 THR A 21 0.982 -2.631 -5.883 1.00 0.00 O ATOM 180 CG2 THR A 21 -1.183 -3.640 -5.723 1.00 0.00 C ATOM 0 H THR A 21 2.689 -4.055 -5.534 1.00 0.00 H new ATOM 0 HA THR A 21 0.269 -5.076 -4.376 1.00 0.00 H new ATOM 0 HB THR A 21 0.319 -4.089 -7.182 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.597 -1.905 -6.417 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.612 -2.824 -6.304 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.745 -4.555 -5.912 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.234 -3.396 -4.662 1.00 0.00 H new ATOM 188 N THR A 22 1.798 -6.604 -6.821 1.00 0.00 N ATOM 189 CA THR A 22 1.876 -7.883 -7.496 1.00 0.00 C ATOM 190 C THR A 22 2.286 -8.966 -6.503 1.00 0.00 C ATOM 191 O THR A 22 2.148 -10.159 -6.770 1.00 0.00 O ATOM 192 CB THR A 22 2.849 -7.841 -8.692 1.00 0.00 C ATOM 193 OG1 THR A 22 3.941 -6.954 -8.411 1.00 0.00 O ATOM 194 CG2 THR A 22 2.136 -7.390 -9.956 1.00 0.00 C ATOM 0 H THR A 22 2.612 -6.003 -6.951 1.00 0.00 H new ATOM 0 HA THR A 22 0.889 -8.117 -7.895 1.00 0.00 H new ATOM 0 HB THR A 22 3.234 -8.849 -8.850 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.212 -7.055 -7.475 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.844 -7.369 -10.785 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.329 -8.085 -10.186 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.724 -6.392 -9.805 1.00 0.00 H new ATOM 202 N THR A 23 2.800 -8.534 -5.354 1.00 0.00 N ATOM 203 CA THR A 23 3.056 -9.448 -4.253 1.00 0.00 C ATOM 204 C THR A 23 1.791 -9.636 -3.394 1.00 0.00 C ATOM 205 O THR A 23 1.348 -10.764 -3.179 1.00 0.00 O ATOM 206 CB THR A 23 4.222 -8.957 -3.374 1.00 0.00 C ATOM 207 OG1 THR A 23 5.311 -8.522 -4.201 1.00 0.00 O ATOM 208 CG2 THR A 23 4.709 -10.068 -2.456 1.00 0.00 C ATOM 0 H THR A 23 3.045 -7.562 -5.165 1.00 0.00 H new ATOM 0 HA THR A 23 3.336 -10.409 -4.685 1.00 0.00 H new ATOM 0 HB THR A 23 3.863 -8.125 -2.768 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.070 -7.681 -4.643 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.533 -9.700 -1.844 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.893 -10.390 -1.810 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.051 -10.911 -3.056 1.00 0.00 H new ATOM 216 N TYR A 24 1.212 -8.537 -2.895 1.00 0.00 N ATOM 217 CA TYR A 24 -0.038 -8.599 -2.168 1.00 0.00 C ATOM 218 C TYR A 24 -1.081 -7.798 -2.933 1.00 0.00 C ATOM 219 O TYR A 24 -1.036 -6.572 -2.949 1.00 0.00 O ATOM 220 CB TYR A 24 0.134 -8.024 -0.755 1.00 0.00 C ATOM 221 CG TYR A 24 1.260 -8.647 0.042 1.00 0.00 C ATOM 222 CD1 TYR A 24 2.583 -8.280 -0.184 1.00 0.00 C ATOM 223 CD2 TYR A 24 1.002 -9.603 1.012 1.00 0.00 C ATOM 224 CE1 TYR A 24 3.614 -8.852 0.530 1.00 0.00 C ATOM 225 CE2 TYR A 24 2.029 -10.178 1.733 1.00 0.00 C ATOM 226 CZ TYR A 24 3.332 -9.802 1.486 1.00 0.00 C ATOM 227 OH TYR A 24 4.354 -10.382 2.194 1.00 0.00 O ATOM 0 H TYR A 24 1.599 -7.598 -2.988 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.357 -9.637 -2.075 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.310 -6.951 -0.832 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.799 -8.155 -0.207 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.806 -7.534 -0.932 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.017 -9.902 1.206 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.636 -8.557 0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.813 -10.920 2.488 1.00 0.00 H new ATOM 0 HH TYR A 24 4.326 -10.071 3.123 1.00 0.00 H new ATOM 237 N SER A 25 -2.003 -8.479 -3.587 1.00 0.00 N ATOM 238 CA SER A 25 -2.986 -7.802 -4.413 1.00 0.00 C ATOM 239 C SER A 25 -4.078 -7.153 -3.559 1.00 0.00 C ATOM 240 O SER A 25 -4.987 -6.507 -4.084 1.00 0.00 O ATOM 241 CB SER A 25 -3.605 -8.790 -5.387 1.00 0.00 C ATOM 242 OG SER A 25 -2.675 -9.802 -5.749 1.00 0.00 O ATOM 0 H SER A 25 -2.092 -9.495 -3.563 1.00 0.00 H new ATOM 0 HA SER A 25 -2.480 -7.012 -4.967 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.486 -9.246 -4.936 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.940 -8.263 -6.280 1.00 0.00 H new ATOM 0 HG SER A 25 -3.098 -10.426 -6.375 1.00 0.00 H new ATOM 248 N ASN A 26 -3.992 -7.339 -2.242 1.00 0.00 N ATOM 249 CA ASN A 26 -4.906 -6.674 -1.319 1.00 0.00 C ATOM 250 C ASN A 26 -4.504 -5.214 -1.176 1.00 0.00 C ATOM 251 O ASN A 26 -5.284 -4.377 -0.710 1.00 0.00 O ATOM 252 CB ASN A 26 -4.912 -7.344 0.059 1.00 0.00 C ATOM 253 CG ASN A 26 -3.601 -7.171 0.806 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.527 -7.210 0.220 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.685 -6.962 2.107 1.00 0.00 N ATOM 0 H ASN A 26 -3.302 -7.942 -1.794 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.913 -6.750 -1.729 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.723 -6.927 0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.119 -8.408 -0.061 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.837 -6.827 2.658 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.598 -6.936 2.561 1.00 0.00 H new ATOM 262 N ILE A 27 -3.275 -4.926 -1.578 1.00 0.00 N ATOM 263 CA ILE A 27 -2.777 -3.567 -1.624 1.00 0.00 C ATOM 264 C ILE A 27 -3.380 -2.877 -2.841 1.00 0.00 C ATOM 265 O ILE A 27 -3.652 -3.533 -3.844 1.00 0.00 O ATOM 266 CB ILE A 27 -1.235 -3.538 -1.733 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.603 -4.587 -0.813 1.00 0.00 C ATOM 268 CG2 ILE A 27 -0.703 -2.146 -1.413 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.894 -4.462 -0.676 1.00 0.00 C ATOM 0 H ILE A 27 -2.600 -5.628 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.060 -3.055 -0.704 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.960 -3.782 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.056 -4.508 0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.841 -5.580 -1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.384 -2.144 -1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.121 -1.426 -2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.991 -1.871 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.265 -5.240 -0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.359 -4.572 -1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.141 -3.483 -0.265 1.00 0.00 H new ATOM 281 N THR A 28 -3.613 -1.578 -2.762 1.00 0.00 N ATOM 282 CA THR A 28 -4.198 -0.852 -3.881 1.00 0.00 C ATOM 283 C THR A 28 -3.616 0.546 -3.988 1.00 0.00 C ATOM 284 O THR A 28 -3.510 1.257 -2.989 1.00 0.00 O ATOM 285 CB THR A 28 -5.740 -0.755 -3.776 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.134 -0.452 -2.432 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.411 -2.044 -4.228 1.00 0.00 C ATOM 0 H THR A 28 -3.409 -1.006 -1.942 1.00 0.00 H new ATOM 0 HA THR A 28 -3.951 -1.420 -4.778 1.00 0.00 H new ATOM 0 HB THR A 28 -6.063 0.050 -4.437 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.360 -0.539 -1.837 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.493 -1.941 -4.141 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.148 -2.246 -5.266 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.074 -2.869 -3.601 1.00 0.00 H new ATOM 295 N LEU A 29 -3.220 0.929 -5.192 1.00 0.00 N ATOM 296 CA LEU A 29 -2.710 2.267 -5.423 1.00 0.00 C ATOM 297 C LEU A 29 -3.878 3.200 -5.710 1.00 0.00 C ATOM 298 O LEU A 29 -4.478 3.157 -6.787 1.00 0.00 O ATOM 299 CB LEU A 29 -1.704 2.269 -6.585 1.00 0.00 C ATOM 300 CG LEU A 29 -0.677 3.412 -6.579 1.00 0.00 C ATOM 301 CD1 LEU A 29 0.386 3.169 -7.639 1.00 0.00 C ATOM 302 CD2 LEU A 29 -1.346 4.761 -6.808 1.00 0.00 C ATOM 0 H LEU A 29 -3.243 0.333 -6.020 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.184 2.616 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.165 1.322 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.260 2.310 -7.522 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.205 3.433 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.108 3.986 -7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.898 2.229 -7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.084 3.118 -8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.592 5.548 -6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.853 4.757 -7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.073 4.945 -6.017 1.00 0.00 H new ATOM 314 N GLU A 30 -4.208 4.025 -4.736 1.00 0.00 N ATOM 315 CA GLU A 30 -5.327 4.941 -4.852 1.00 0.00 C ATOM 316 C GLU A 30 -4.848 6.375 -4.737 1.00 0.00 C ATOM 317 O GLU A 30 -3.719 6.631 -4.305 1.00 0.00 O ATOM 318 CB GLU A 30 -6.369 4.655 -3.767 1.00 0.00 C ATOM 319 CG GLU A 30 -7.181 3.389 -4.001 1.00 0.00 C ATOM 320 CD GLU A 30 -8.124 3.509 -5.182 1.00 0.00 C ATOM 321 OE1 GLU A 30 -9.253 4.009 -5.001 1.00 0.00 O ATOM 322 OE2 GLU A 30 -7.745 3.101 -6.300 1.00 0.00 O ATOM 0 H GLU A 30 -3.712 4.080 -3.847 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.787 4.797 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.863 4.576 -2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.050 5.503 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.502 2.552 -4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.756 3.160 -3.104 1.00 0.00 H new ATOM 329 N ASP A 31 -5.703 7.301 -5.156 1.00 0.00 N ATOM 330 CA ASP A 31 -5.436 8.730 -5.025 1.00 0.00 C ATOM 331 C ASP A 31 -4.227 9.136 -5.848 1.00 0.00 C ATOM 332 O ASP A 31 -3.521 10.086 -5.509 1.00 0.00 O ATOM 333 CB ASP A 31 -5.248 9.115 -3.555 1.00 0.00 C ATOM 334 CG ASP A 31 -6.522 8.940 -2.756 1.00 0.00 C ATOM 335 OD1 ASP A 31 -7.340 9.883 -2.728 1.00 0.00 O ATOM 336 OD2 ASP A 31 -6.719 7.858 -2.163 1.00 0.00 O ATOM 0 H ASP A 31 -6.598 7.084 -5.595 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.301 9.270 -5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.459 8.503 -3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.919 10.152 -3.491 1.00 0.00 H new ATOM 341 N ASP A 32 -4.023 8.422 -6.952 1.00 0.00 N ATOM 342 CA ASP A 32 -2.895 8.668 -7.841 1.00 0.00 C ATOM 343 C ASP A 32 -3.019 10.040 -8.493 1.00 0.00 C ATOM 344 O ASP A 32 -3.874 10.267 -9.351 1.00 0.00 O ATOM 345 CB ASP A 32 -2.823 7.585 -8.917 1.00 0.00 C ATOM 346 CG ASP A 32 -1.484 7.538 -9.632 1.00 0.00 C ATOM 347 OD1 ASP A 32 -0.925 8.607 -9.976 1.00 0.00 O ATOM 348 OD2 ASP A 32 -0.980 6.421 -9.862 1.00 0.00 O ATOM 0 H ASP A 32 -4.632 7.661 -7.253 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.979 8.642 -7.250 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.017 6.615 -8.460 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.612 7.756 -9.649 1.00 0.00 H new ATOM 353 N GLN A 33 -2.176 10.948 -8.054 1.00 0.00 N ATOM 354 CA GLN A 33 -2.139 12.300 -8.575 1.00 0.00 C ATOM 355 C GLN A 33 -0.698 12.639 -8.953 1.00 0.00 C ATOM 356 O GLN A 33 -0.239 13.776 -8.813 1.00 0.00 O ATOM 357 CB GLN A 33 -2.678 13.265 -7.509 1.00 0.00 C ATOM 358 CG GLN A 33 -2.927 14.682 -8.006 1.00 0.00 C ATOM 359 CD GLN A 33 -3.487 15.594 -6.929 1.00 0.00 C ATOM 360 OE1 GLN A 33 -3.175 15.304 -5.673 1.00 0.00 O flip ATOM 361 NE2 GLN A 33 -4.210 16.546 -7.221 1.00 0.00 N flip ATOM 0 H GLN A 33 -1.491 10.769 -7.320 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.764 12.391 -9.464 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.611 12.864 -7.113 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.970 13.303 -6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.993 15.100 -8.380 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.621 14.651 -8.846 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.429 16.739 -8.198 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.590 17.142 -6.486 1.00 0.00 H new ATOM 370 N GLY A 34 0.017 11.628 -9.429 1.00 0.00 N ATOM 371 CA GLY A 34 1.408 11.806 -9.791 1.00 0.00 C ATOM 372 C GLY A 34 2.321 11.644 -8.595 1.00 0.00 C ATOM 373 O GLY A 34 2.685 10.527 -8.237 1.00 0.00 O ATOM 0 H GLY A 34 -0.344 10.685 -9.571 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.680 11.081 -10.558 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.548 12.796 -10.224 1.00 0.00 H new ATOM 377 N SER A 35 2.679 12.755 -7.968 1.00 0.00 N ATOM 378 CA SER A 35 3.526 12.730 -6.783 1.00 0.00 C ATOM 379 C SER A 35 2.701 12.391 -5.545 1.00 0.00 C ATOM 380 O SER A 35 3.196 11.790 -4.590 1.00 0.00 O ATOM 381 CB SER A 35 4.210 14.082 -6.612 1.00 0.00 C ATOM 382 OG SER A 35 3.269 15.139 -6.703 1.00 0.00 O ATOM 0 H SER A 35 2.395 13.690 -8.261 1.00 0.00 H new ATOM 0 HA SER A 35 4.287 11.960 -6.907 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.714 14.120 -5.646 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.977 14.206 -7.376 1.00 0.00 H new ATOM 0 HG SER A 35 3.729 15.997 -6.589 1.00 0.00 H new ATOM 388 N HIS A 36 1.435 12.778 -5.573 1.00 0.00 N ATOM 389 CA HIS A 36 0.515 12.477 -4.486 1.00 0.00 C ATOM 390 C HIS A 36 -0.221 11.183 -4.780 1.00 0.00 C ATOM 391 O HIS A 36 -0.869 11.070 -5.808 1.00 0.00 O ATOM 392 CB HIS A 36 -0.510 13.603 -4.303 1.00 0.00 C ATOM 393 CG HIS A 36 -0.005 14.796 -3.549 1.00 0.00 C ATOM 394 ND1 HIS A 36 -0.730 15.402 -2.544 1.00 0.00 N ATOM 395 CD2 HIS A 36 1.140 15.509 -3.664 1.00 0.00 C ATOM 396 CE1 HIS A 36 -0.054 16.432 -2.074 1.00 0.00 C ATOM 397 NE2 HIS A 36 1.084 16.519 -2.736 1.00 0.00 N ATOM 0 H HIS A 36 1.019 13.304 -6.341 1.00 0.00 H new ATOM 0 HA HIS A 36 1.097 12.379 -3.570 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.850 13.929 -5.286 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.380 13.203 -3.782 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.947 15.319 -4.356 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.377 17.092 -1.282 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.806 17.223 -2.583 1.00 0.00 H new ATOM 406 N PHE A 37 -0.093 10.211 -3.892 1.00 0.00 N ATOM 407 CA PHE A 37 -0.815 8.948 -4.016 1.00 0.00 C ATOM 408 C PHE A 37 -0.649 8.142 -2.737 1.00 0.00 C ATOM 409 O PHE A 37 0.299 8.370 -1.981 1.00 0.00 O ATOM 410 CB PHE A 37 -0.333 8.136 -5.233 1.00 0.00 C ATOM 411 CG PHE A 37 1.126 7.756 -5.207 1.00 0.00 C ATOM 412 CD1 PHE A 37 2.101 8.662 -5.592 1.00 0.00 C ATOM 413 CD2 PHE A 37 1.517 6.486 -4.814 1.00 0.00 C ATOM 414 CE1 PHE A 37 3.438 8.310 -5.581 1.00 0.00 C ATOM 415 CE2 PHE A 37 2.851 6.130 -4.800 1.00 0.00 C ATOM 416 CZ PHE A 37 3.813 7.043 -5.185 1.00 0.00 C ATOM 0 H PHE A 37 0.508 10.270 -3.070 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.871 9.169 -4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.929 7.226 -5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.527 8.714 -6.137 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.813 9.655 -5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.769 5.766 -4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.188 9.026 -5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.142 5.138 -4.488 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.857 6.766 -5.176 1.00 0.00 H new ATOM 426 N ARG A 38 -1.572 7.227 -2.476 1.00 0.00 N ATOM 427 CA ARG A 38 -1.480 6.398 -1.281 1.00 0.00 C ATOM 428 C ARG A 38 -1.875 4.958 -1.564 1.00 0.00 C ATOM 429 O ARG A 38 -2.692 4.681 -2.444 1.00 0.00 O ATOM 430 CB ARG A 38 -2.344 6.971 -0.149 1.00 0.00 C ATOM 431 CG ARG A 38 -3.816 7.130 -0.494 1.00 0.00 C ATOM 432 CD ARG A 38 -4.598 7.673 0.694 1.00 0.00 C ATOM 433 NE ARG A 38 -6.005 7.904 0.372 1.00 0.00 N ATOM 434 CZ ARG A 38 -6.914 8.347 1.243 1.00 0.00 C ATOM 435 NH1 ARG A 38 -6.556 8.654 2.486 1.00 0.00 N ATOM 436 NH2 ARG A 38 -8.180 8.496 0.866 1.00 0.00 N ATOM 0 H ARG A 38 -2.383 7.041 -3.066 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.437 6.404 -0.965 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.257 6.321 0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.945 7.944 0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.923 7.804 -1.344 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.229 6.168 -0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.528 6.970 1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.146 8.607 1.028 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.313 7.714 -0.582 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.584 8.551 2.777 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.254 8.992 3.149 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.457 8.272 -0.090 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.874 8.835 1.532 1.00 0.00 H new ATOM 450 N LEU A 39 -1.282 4.044 -0.815 1.00 0.00 N ATOM 451 CA LEU A 39 -1.608 2.637 -0.932 1.00 0.00 C ATOM 452 C LEU A 39 -2.590 2.243 0.150 1.00 0.00 C ATOM 453 O LEU A 39 -2.345 2.451 1.339 1.00 0.00 O ATOM 454 CB LEU A 39 -0.359 1.766 -0.828 1.00 0.00 C ATOM 455 CG LEU A 39 0.675 1.971 -1.928 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.935 1.180 -1.616 1.00 0.00 C ATOM 457 CD2 LEU A 39 0.111 1.558 -3.278 1.00 0.00 C ATOM 0 H LEU A 39 -0.569 4.255 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.056 2.478 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.117 1.956 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.665 0.720 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 39 0.927 3.030 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.667 1.334 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.351 1.518 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.691 0.120 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.865 1.712 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.168 0.505 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.769 2.161 -3.505 1.00 0.00 H new ATOM 469 N VAL A 40 -3.706 1.695 -0.276 1.00 0.00 N ATOM 470 CA VAL A 40 -4.726 1.224 0.639 1.00 0.00 C ATOM 471 C VAL A 40 -4.643 -0.289 0.765 1.00 0.00 C ATOM 472 O VAL A 40 -4.739 -1.010 -0.227 1.00 0.00 O ATOM 473 CB VAL A 40 -6.138 1.630 0.170 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.191 1.200 1.181 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.203 3.130 -0.070 1.00 0.00 C ATOM 0 H VAL A 40 -3.933 1.563 -1.262 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.547 1.687 1.609 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.348 1.119 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.178 1.498 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.160 0.117 1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.990 1.677 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.205 3.402 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.970 3.657 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.480 3.407 -0.837 1.00 0.00 H new ATOM 485 N VAL A 41 -4.436 -0.763 1.976 1.00 0.00 N ATOM 486 CA VAL A 41 -4.328 -2.186 2.219 1.00 0.00 C ATOM 487 C VAL A 41 -5.652 -2.728 2.736 1.00 0.00 C ATOM 488 O VAL A 41 -6.120 -2.345 3.813 1.00 0.00 O ATOM 489 CB VAL A 41 -3.206 -2.515 3.225 1.00 0.00 C ATOM 490 CG1 VAL A 41 -2.953 -4.012 3.260 1.00 0.00 C ATOM 491 CG2 VAL A 41 -1.928 -1.769 2.879 1.00 0.00 C ATOM 0 H VAL A 41 -4.339 -0.182 2.809 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.078 -2.662 1.271 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.529 -2.190 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.159 -4.230 3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.864 -4.528 3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.654 -4.354 2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.153 -2.019 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.598 -2.057 1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.115 -0.695 2.904 1.00 0.00 H new ATOM 501 N ARG A 42 -6.268 -3.590 1.948 1.00 0.00 N ATOM 502 CA ARG A 42 -7.534 -4.190 2.319 1.00 0.00 C ATOM 503 C ARG A 42 -7.313 -5.597 2.857 1.00 0.00 C ATOM 504 O ARG A 42 -6.224 -6.157 2.723 1.00 0.00 O ATOM 505 CB ARG A 42 -8.480 -4.212 1.118 1.00 0.00 C ATOM 506 CG ARG A 42 -8.755 -2.828 0.547 1.00 0.00 C ATOM 507 CD ARG A 42 -9.794 -2.866 -0.562 1.00 0.00 C ATOM 508 NE ARG A 42 -9.335 -3.610 -1.734 1.00 0.00 N ATOM 509 CZ ARG A 42 -9.833 -3.449 -2.959 1.00 0.00 C ATOM 510 NH1 ARG A 42 -10.852 -2.629 -3.164 1.00 0.00 N ATOM 511 NH2 ARG A 42 -9.329 -4.131 -3.975 1.00 0.00 N ATOM 0 H ARG A 42 -5.909 -3.891 1.042 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.991 -3.590 3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.052 -4.842 0.338 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.424 -4.670 1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.099 -2.169 1.344 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.828 -2.404 0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.709 -3.321 -0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.043 -1.847 -0.857 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.589 -4.293 -1.606 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.260 -2.117 -2.382 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.229 -2.510 -4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.558 -4.781 -3.821 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.711 -4.007 -4.912 1.00 0.00 H new ATOM 525 N ASP A 43 -8.338 -6.161 3.474 1.00 0.00 N ATOM 526 CA ASP A 43 -8.232 -7.493 4.054 1.00 0.00 C ATOM 527 C ASP A 43 -8.594 -8.552 3.024 1.00 0.00 C ATOM 528 O ASP A 43 -8.758 -8.250 1.838 1.00 0.00 O ATOM 529 CB ASP A 43 -9.144 -7.630 5.280 1.00 0.00 C ATOM 530 CG ASP A 43 -10.579 -7.962 4.914 1.00 0.00 C ATOM 531 OD1 ASP A 43 -11.221 -7.166 4.212 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.057 -9.043 5.306 1.00 0.00 O ATOM 0 H ASP A 43 -9.251 -5.720 3.587 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.199 -7.640 4.369 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.751 -8.409 5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.125 -6.699 5.847 1.00 0.00 H new ATOM 537 N THR A 44 -8.744 -9.785 3.494 1.00 0.00 N ATOM 538 CA THR A 44 -9.059 -10.921 2.641 1.00 0.00 C ATOM 539 C THR A 44 -10.403 -10.746 1.935 1.00 0.00 C ATOM 540 O THR A 44 -10.620 -11.292 0.852 1.00 0.00 O ATOM 541 CB THR A 44 -9.078 -12.216 3.471 1.00 0.00 C ATOM 542 OG1 THR A 44 -9.362 -11.901 4.844 1.00 0.00 O ATOM 543 CG2 THR A 44 -7.747 -12.949 3.376 1.00 0.00 C ATOM 0 H THR A 44 -8.650 -10.024 4.481 1.00 0.00 H new ATOM 0 HA THR A 44 -8.283 -10.982 1.878 1.00 0.00 H new ATOM 0 HB THR A 44 -9.854 -12.869 3.073 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.521 -11.769 5.330 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.790 -13.860 3.973 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.546 -13.205 2.336 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.950 -12.307 3.752 1.00 0.00 H new ATOM 551 N GLU A 45 -11.295 -9.976 2.547 1.00 0.00 N ATOM 552 CA GLU A 45 -12.605 -9.723 1.975 1.00 0.00 C ATOM 553 C GLU A 45 -12.542 -8.539 1.014 1.00 0.00 C ATOM 554 O GLU A 45 -13.259 -8.496 0.015 1.00 0.00 O ATOM 555 CB GLU A 45 -13.610 -9.449 3.097 1.00 0.00 C ATOM 556 CG GLU A 45 -15.031 -9.197 2.618 1.00 0.00 C ATOM 557 CD GLU A 45 -15.598 -10.350 1.811 1.00 0.00 C ATOM 558 OE1 GLU A 45 -15.645 -11.481 2.336 1.00 0.00 O ATOM 559 OE2 GLU A 45 -16.018 -10.126 0.655 1.00 0.00 O ATOM 0 H GLU A 45 -11.131 -9.516 3.442 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.928 -10.601 1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.615 -10.299 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.273 -8.584 3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.672 -9.014 3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.049 -8.292 2.010 1.00 0.00 H new ATOM 566 N GLY A 46 -11.656 -7.596 1.304 1.00 0.00 N ATOM 567 CA GLY A 46 -11.573 -6.391 0.505 1.00 0.00 C ATOM 568 C GLY A 46 -12.001 -5.158 1.274 1.00 0.00 C ATOM 569 O GLY A 46 -12.370 -4.141 0.687 1.00 0.00 O ATOM 0 H GLY A 46 -10.994 -7.644 2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.549 -6.260 0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.201 -6.501 -0.379 1.00 0.00 H new ATOM 573 N ARG A 47 -11.964 -5.247 2.591 1.00 0.00 N ATOM 574 CA ARG A 47 -12.278 -4.119 3.442 1.00 0.00 C ATOM 575 C ARG A 47 -11.028 -3.294 3.690 1.00 0.00 C ATOM 576 O ARG A 47 -9.986 -3.840 4.045 1.00 0.00 O ATOM 577 CB ARG A 47 -12.833 -4.619 4.770 1.00 0.00 C ATOM 578 CG ARG A 47 -14.151 -5.361 4.650 1.00 0.00 C ATOM 579 CD ARG A 47 -14.473 -6.107 5.931 1.00 0.00 C ATOM 580 NE ARG A 47 -13.516 -7.185 6.182 1.00 0.00 N ATOM 581 CZ ARG A 47 -13.464 -7.897 7.309 1.00 0.00 C ATOM 582 NH1 ARG A 47 -14.243 -7.592 8.338 1.00 0.00 N ATOM 583 NH2 ARG A 47 -12.607 -8.900 7.417 1.00 0.00 N ATOM 0 H ARG A 47 -11.717 -6.098 3.096 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.024 -3.496 2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.098 -5.277 5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.966 -3.769 5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.951 -4.655 4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.103 -6.064 3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.466 -5.411 6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.480 -6.521 5.869 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.844 -7.407 5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.890 -6.806 8.272 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.195 -8.143 9.195 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.988 -9.128 6.639 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.566 -9.445 8.278 1.00 0.00 H new ATOM 597 N MET A 48 -11.122 -1.990 3.472 1.00 0.00 N ATOM 598 CA MET A 48 -10.009 -1.086 3.749 1.00 0.00 C ATOM 599 C MET A 48 -9.665 -1.087 5.229 1.00 0.00 C ATOM 600 O MET A 48 -10.455 -0.648 6.067 1.00 0.00 O ATOM 601 CB MET A 48 -10.331 0.336 3.284 1.00 0.00 C ATOM 602 CG MET A 48 -11.735 0.804 3.653 1.00 0.00 C ATOM 603 SD MET A 48 -12.115 2.448 3.022 1.00 0.00 S ATOM 604 CE MET A 48 -13.809 2.630 3.567 1.00 0.00 C ATOM 0 H MET A 48 -11.956 -1.532 3.104 1.00 0.00 H new ATOM 0 HA MET A 48 -9.144 -1.445 3.192 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.604 1.023 3.718 1.00 0.00 H new ATOM 0 HB3 MET A 48 -10.214 0.389 2.202 1.00 0.00 H new ATOM 0 HG2 MET A 48 -12.464 0.093 3.263 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.839 0.804 4.738 1.00 0.00 H new ATOM 0 HE1 MET A 48 -14.190 3.602 3.252 1.00 0.00 H new ATOM 0 HE2 MET A 48 -14.419 1.841 3.127 1.00 0.00 H new ATOM 0 HE3 MET A 48 -13.851 2.558 4.654 1.00 0.00 H new ATOM 614 N VAL A 49 -8.492 -1.608 5.547 1.00 0.00 N ATOM 615 CA VAL A 49 -8.035 -1.661 6.923 1.00 0.00 C ATOM 616 C VAL A 49 -7.059 -0.526 7.205 1.00 0.00 C ATOM 617 O VAL A 49 -7.069 0.058 8.290 1.00 0.00 O ATOM 618 CB VAL A 49 -7.353 -3.006 7.244 1.00 0.00 C ATOM 619 CG1 VAL A 49 -6.991 -3.086 8.719 1.00 0.00 C ATOM 620 CG2 VAL A 49 -8.245 -4.173 6.847 1.00 0.00 C ATOM 0 H VAL A 49 -7.839 -2.001 4.869 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.914 -1.557 7.559 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.434 -3.067 6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.511 -4.043 8.924 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.307 -2.275 8.970 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.895 -2.997 9.321 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.743 -5.111 7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.185 -4.116 7.396 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.447 -4.129 5.777 1.00 0.00 H new ATOM 630 N TRP A 50 -6.230 -0.197 6.219 1.00 0.00 N ATOM 631 CA TRP A 50 -5.180 0.791 6.430 1.00 0.00 C ATOM 632 C TRP A 50 -4.742 1.409 5.106 1.00 0.00 C ATOM 633 O TRP A 50 -4.927 0.817 4.046 1.00 0.00 O ATOM 634 CB TRP A 50 -3.994 0.135 7.156 1.00 0.00 C ATOM 635 CG TRP A 50 -2.847 1.062 7.426 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.565 0.926 6.989 1.00 0.00 C ATOM 637 CD2 TRP A 50 -2.884 2.267 8.196 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.801 1.978 7.432 1.00 0.00 N ATOM 639 CE2 TRP A 50 -1.588 2.813 8.179 1.00 0.00 C ATOM 640 CE3 TRP A 50 -3.889 2.937 8.896 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -1.273 3.999 8.835 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -3.575 4.110 9.545 1.00 0.00 C ATOM 643 CH2 TRP A 50 -2.277 4.633 9.513 1.00 0.00 C ATOM 0 H TRP A 50 -6.264 -0.594 5.280 1.00 0.00 H new ATOM 0 HA TRP A 50 -5.569 1.597 7.053 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.345 -0.276 8.103 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.636 -0.703 6.558 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.202 0.110 6.382 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.191 2.115 7.236 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.894 2.543 8.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.272 4.404 8.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.345 4.637 10.089 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -2.064 5.555 10.034 1.00 0.00 H new ATOM 654 N ARG A 51 -4.177 2.607 5.178 1.00 0.00 N ATOM 655 CA ARG A 51 -3.730 3.332 3.998 1.00 0.00 C ATOM 656 C ARG A 51 -2.637 4.325 4.375 1.00 0.00 C ATOM 657 O ARG A 51 -2.678 4.917 5.453 1.00 0.00 O ATOM 658 CB ARG A 51 -4.908 4.065 3.347 1.00 0.00 C ATOM 659 CG ARG A 51 -5.744 4.868 4.332 1.00 0.00 C ATOM 660 CD ARG A 51 -6.797 5.713 3.634 1.00 0.00 C ATOM 661 NE ARG A 51 -7.685 4.923 2.779 1.00 0.00 N ATOM 662 CZ ARG A 51 -8.968 4.684 3.058 1.00 0.00 C ATOM 663 NH1 ARG A 51 -9.489 5.090 4.209 1.00 0.00 N ATOM 664 NH2 ARG A 51 -9.729 4.039 2.185 1.00 0.00 N ATOM 0 H ARG A 51 -4.016 3.102 6.055 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.324 2.618 3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.527 4.735 2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.548 3.337 2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.231 4.189 5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.091 5.515 4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.392 6.235 4.383 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.303 6.475 3.031 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.300 4.532 1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.908 5.587 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.470 4.905 4.418 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.334 3.725 1.299 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.709 3.857 2.400 1.00 0.00 H new ATOM 678 N ALA A 52 -1.657 4.494 3.495 1.00 0.00 N ATOM 679 CA ALA A 52 -0.563 5.428 3.738 1.00 0.00 C ATOM 680 C ALA A 52 -0.088 6.042 2.428 1.00 0.00 C ATOM 681 O ALA A 52 -0.070 5.371 1.394 1.00 0.00 O ATOM 682 CB ALA A 52 0.588 4.732 4.450 1.00 0.00 C ATOM 0 H ALA A 52 -1.597 3.997 2.607 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.930 6.228 4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.394 5.445 4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.241 4.339 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.955 3.912 3.833 1.00 0.00 H new ATOM 688 N TRP A 53 0.284 7.318 2.471 1.00 0.00 N ATOM 689 CA TRP A 53 0.702 8.038 1.280 1.00 0.00 C ATOM 690 C TRP A 53 2.162 7.772 0.954 1.00 0.00 C ATOM 691 O TRP A 53 2.805 6.899 1.530 1.00 0.00 O ATOM 692 CB TRP A 53 0.525 9.544 1.474 1.00 0.00 C ATOM 693 CG TRP A 53 -0.841 9.964 1.826 1.00 0.00 C ATOM 694 CD1 TRP A 53 -1.346 10.001 3.066 1.00 0.00 C ATOM 695 CD2 TRP A 53 -1.864 10.435 0.944 1.00 0.00 C ATOM 696 NE1 TRP A 53 -2.629 10.462 3.036 1.00 0.00 N ATOM 697 CE2 TRP A 53 -2.977 10.738 1.741 1.00 0.00 C ATOM 698 CE3 TRP A 53 -1.947 10.631 -0.438 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -4.168 11.223 1.208 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -3.128 11.113 -0.969 1.00 0.00 C ATOM 701 CH2 TRP A 53 -4.224 11.408 -0.147 1.00 0.00 C ATOM 0 H TRP A 53 0.303 7.875 3.325 1.00 0.00 H new ATOM 0 HA TRP A 53 0.077 7.685 0.459 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.206 9.878 2.257 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.821 10.052 0.556 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.814 9.708 3.959 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.233 10.582 3.849 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.105 10.410 -1.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.016 11.445 1.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -3.208 11.265 -2.035 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.131 11.789 -0.592 1.00 0.00 H new ATOM 712 N ASN A 54 2.666 8.578 0.044 1.00 0.00 N ATOM 713 CA ASN A 54 4.046 8.487 -0.422 1.00 0.00 C ATOM 714 C ASN A 54 4.946 9.425 0.377 1.00 0.00 C ATOM 715 O ASN A 54 6.095 9.099 0.676 1.00 0.00 O ATOM 716 CB ASN A 54 4.107 8.821 -1.921 1.00 0.00 C ATOM 717 CG ASN A 54 5.500 9.193 -2.403 1.00 0.00 C ATOM 718 OD1 ASN A 54 5.873 10.367 -2.406 1.00 0.00 O ATOM 719 ND2 ASN A 54 6.274 8.204 -2.816 1.00 0.00 N ATOM 0 H ASN A 54 2.130 9.323 -0.401 1.00 0.00 H new ATOM 0 HA ASN A 54 4.406 7.469 -0.271 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.751 7.963 -2.491 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.427 9.647 -2.129 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.217 8.401 -3.153 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.929 7.244 -2.798 1.00 0.00 H new ATOM 726 N PHE A 55 4.403 10.577 0.753 1.00 0.00 N ATOM 727 CA PHE A 55 5.163 11.581 1.492 1.00 0.00 C ATOM 728 C PHE A 55 5.174 11.283 2.992 1.00 0.00 C ATOM 729 O PHE A 55 5.578 12.121 3.802 1.00 0.00 O ATOM 730 CB PHE A 55 4.602 12.986 1.226 1.00 0.00 C ATOM 731 CG PHE A 55 3.112 13.110 1.404 1.00 0.00 C ATOM 732 CD1 PHE A 55 2.561 13.302 2.662 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.265 13.047 0.309 1.00 0.00 C ATOM 734 CE1 PHE A 55 1.193 13.428 2.823 1.00 0.00 C ATOM 735 CE2 PHE A 55 0.897 13.170 0.465 1.00 0.00 C ATOM 736 CZ PHE A 55 0.362 13.363 1.724 1.00 0.00 C ATOM 0 H PHE A 55 3.437 10.840 0.558 1.00 0.00 H new ATOM 0 HA PHE A 55 6.193 11.543 1.138 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.095 13.692 1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.859 13.279 0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.207 13.354 3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.679 12.900 -0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.776 13.577 3.808 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.247 13.115 -0.396 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.706 13.463 1.848 1.00 0.00 H new ATOM 746 N GLU A 56 4.736 10.085 3.350 1.00 0.00 N ATOM 747 CA GLU A 56 4.734 9.647 4.736 1.00 0.00 C ATOM 748 C GLU A 56 6.116 9.133 5.133 1.00 0.00 C ATOM 749 O GLU A 56 6.653 8.224 4.494 1.00 0.00 O ATOM 750 CB GLU A 56 3.677 8.565 4.947 1.00 0.00 C ATOM 751 CG GLU A 56 2.259 9.102 5.022 1.00 0.00 C ATOM 752 CD GLU A 56 2.005 9.866 6.304 1.00 0.00 C ATOM 753 OE1 GLU A 56 2.308 11.076 6.355 1.00 0.00 O ATOM 754 OE2 GLU A 56 1.515 9.247 7.274 1.00 0.00 O ATOM 0 H GLU A 56 4.375 9.394 2.692 1.00 0.00 H new ATOM 0 HA GLU A 56 4.489 10.498 5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.740 7.844 4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.901 8.026 5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.074 9.755 4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.554 8.274 4.949 1.00 0.00 H new ATOM 761 N PRO A 57 6.695 9.715 6.202 1.00 0.00 N ATOM 762 CA PRO A 57 8.059 9.423 6.667 1.00 0.00 C ATOM 763 C PRO A 57 8.369 7.932 6.719 1.00 0.00 C ATOM 764 O PRO A 57 9.385 7.487 6.198 1.00 0.00 O ATOM 765 CB PRO A 57 8.104 10.027 8.081 1.00 0.00 C ATOM 766 CG PRO A 57 6.706 10.467 8.379 1.00 0.00 C ATOM 767 CD PRO A 57 6.059 10.721 7.053 1.00 0.00 C ATOM 0 HA PRO A 57 8.802 9.837 5.986 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.447 9.292 8.810 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.797 10.867 8.126 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.166 9.701 8.935 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.703 11.368 8.993 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.977 10.593 7.096 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.246 11.734 6.696 1.00 0.00 H new ATOM 775 N ASP A 58 7.501 7.168 7.360 1.00 0.00 N ATOM 776 CA ASP A 58 7.652 5.722 7.400 1.00 0.00 C ATOM 777 C ASP A 58 6.366 5.054 6.934 1.00 0.00 C ATOM 778 O ASP A 58 5.760 4.266 7.660 1.00 0.00 O ATOM 779 CB ASP A 58 8.027 5.234 8.805 1.00 0.00 C ATOM 780 CG ASP A 58 9.413 5.677 9.239 1.00 0.00 C ATOM 781 OD1 ASP A 58 10.415 5.150 8.704 1.00 0.00 O ATOM 782 OD2 ASP A 58 9.508 6.550 10.128 1.00 0.00 O ATOM 0 H ASP A 58 6.686 7.523 7.859 1.00 0.00 H new ATOM 0 HA ASP A 58 8.465 5.448 6.728 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.293 5.605 9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.975 4.146 8.831 1.00 0.00 H new ATOM 787 N ALA A 59 5.954 5.388 5.713 1.00 0.00 N ATOM 788 CA ALA A 59 4.725 4.853 5.129 1.00 0.00 C ATOM 789 C ALA A 59 4.716 3.330 5.150 1.00 0.00 C ATOM 790 O ALA A 59 3.725 2.698 5.536 1.00 0.00 O ATOM 791 CB ALA A 59 4.574 5.349 3.699 1.00 0.00 C ATOM 0 H ALA A 59 6.458 6.032 5.104 1.00 0.00 H new ATOM 0 HA ALA A 59 3.886 5.204 5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.656 4.947 3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.530 6.438 3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.427 5.018 3.107 1.00 0.00 H new ATOM 797 N GLY A 60 5.840 2.756 4.754 1.00 0.00 N ATOM 798 CA GLY A 60 5.961 1.323 4.669 1.00 0.00 C ATOM 799 C GLY A 60 5.814 0.645 6.006 1.00 0.00 C ATOM 800 O GLY A 60 5.285 -0.454 6.079 1.00 0.00 O ATOM 0 H GLY A 60 6.680 3.269 4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.203 0.939 3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.932 1.069 4.243 1.00 0.00 H new ATOM 804 N GLU A 61 6.247 1.309 7.067 1.00 0.00 N ATOM 805 CA GLU A 61 6.221 0.717 8.397 1.00 0.00 C ATOM 806 C GLU A 61 4.794 0.347 8.793 1.00 0.00 C ATOM 807 O GLU A 61 4.552 -0.728 9.338 1.00 0.00 O ATOM 808 CB GLU A 61 6.827 1.674 9.421 1.00 0.00 C ATOM 809 CG GLU A 61 7.053 1.041 10.782 1.00 0.00 C ATOM 810 CD GLU A 61 7.867 -0.233 10.697 1.00 0.00 C ATOM 811 OE1 GLU A 61 8.980 -0.193 10.131 1.00 0.00 O ATOM 812 OE2 GLU A 61 7.391 -1.283 11.183 1.00 0.00 O ATOM 0 H GLU A 61 6.621 2.258 7.034 1.00 0.00 H new ATOM 0 HA GLU A 61 6.820 -0.194 8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.778 2.047 9.040 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.169 2.536 9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.564 1.753 11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.090 0.824 11.243 1.00 0.00 H new ATOM 819 N GLY A 62 3.850 1.229 8.488 1.00 0.00 N ATOM 820 CA GLY A 62 2.462 0.964 8.817 1.00 0.00 C ATOM 821 C GLY A 62 1.852 -0.085 7.906 1.00 0.00 C ATOM 822 O GLY A 62 1.146 -0.989 8.361 1.00 0.00 O ATOM 0 H GLY A 62 4.019 2.120 8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.392 0.630 9.852 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.889 1.888 8.741 1.00 0.00 H new ATOM 826 N LEU A 63 2.140 0.028 6.616 1.00 0.00 N ATOM 827 CA LEU A 63 1.608 -0.904 5.628 1.00 0.00 C ATOM 828 C LEU A 63 2.182 -2.301 5.850 1.00 0.00 C ATOM 829 O LEU A 63 1.442 -3.287 5.886 1.00 0.00 O ATOM 830 CB LEU A 63 1.927 -0.399 4.218 1.00 0.00 C ATOM 831 CG LEU A 63 1.388 1.001 3.900 1.00 0.00 C ATOM 832 CD1 LEU A 63 1.923 1.499 2.573 1.00 0.00 C ATOM 833 CD2 LEU A 63 -0.132 1.007 3.881 1.00 0.00 C ATOM 0 H LEU A 63 2.740 0.756 6.228 1.00 0.00 H new ATOM 0 HA LEU A 63 0.525 -0.965 5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.009 -0.396 4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.519 -1.104 3.494 1.00 0.00 H new ATOM 0 HG LEU A 63 1.730 1.672 4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.526 2.494 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.011 1.544 2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.617 0.818 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.489 2.011 3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.489 0.314 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.509 0.700 4.857 1.00 0.00 H new ATOM 845 N ASN A 64 3.497 -2.377 6.034 1.00 0.00 N ATOM 846 CA ASN A 64 4.169 -3.650 6.283 1.00 0.00 C ATOM 847 C ASN A 64 3.731 -4.230 7.616 1.00 0.00 C ATOM 848 O ASN A 64 3.797 -5.439 7.821 1.00 0.00 O ATOM 849 CB ASN A 64 5.697 -3.502 6.296 1.00 0.00 C ATOM 850 CG ASN A 64 6.284 -3.063 4.966 1.00 0.00 C ATOM 851 OD1 ASN A 64 5.739 -3.336 3.897 1.00 0.00 O ATOM 852 ND2 ASN A 64 7.417 -2.385 5.032 1.00 0.00 N ATOM 0 H ASN A 64 4.120 -1.570 6.015 1.00 0.00 H new ATOM 0 HA ASN A 64 3.888 -4.317 5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 64 5.976 -2.778 7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.142 -4.455 6.582 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.872 -2.068 4.176 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.836 -2.179 5.939 1.00 0.00 H new ATOM 859 N ARG A 65 3.300 -3.365 8.527 1.00 0.00 N ATOM 860 CA ARG A 65 2.817 -3.807 9.827 1.00 0.00 C ATOM 861 C ARG A 65 1.565 -4.659 9.657 1.00 0.00 C ATOM 862 O ARG A 65 1.441 -5.727 10.262 1.00 0.00 O ATOM 863 CB ARG A 65 2.520 -2.608 10.728 1.00 0.00 C ATOM 864 CG ARG A 65 2.326 -2.973 12.189 1.00 0.00 C ATOM 865 CD ARG A 65 2.070 -1.737 13.033 1.00 0.00 C ATOM 866 NE ARG A 65 0.759 -1.148 12.762 1.00 0.00 N ATOM 867 CZ ARG A 65 0.538 0.160 12.616 1.00 0.00 C ATOM 868 NH1 ARG A 65 1.549 1.019 12.653 1.00 0.00 N ATOM 869 NH2 ARG A 65 -0.696 0.609 12.421 1.00 0.00 N ATOM 0 H ARG A 65 3.276 -2.355 8.388 1.00 0.00 H new ATOM 0 HA ARG A 65 3.594 -4.408 10.299 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.339 -1.893 10.647 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.622 -2.107 10.366 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.488 -3.663 12.286 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.211 -3.492 12.558 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.138 -1.999 14.089 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.847 -0.998 12.837 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.039 -1.778 12.679 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.501 0.681 12.794 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.374 2.018 12.541 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.477 -0.046 12.383 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.863 1.609 12.310 1.00 0.00 H new ATOM 883 N TYR A 66 0.644 -4.195 8.817 1.00 0.00 N ATOM 884 CA TYR A 66 -0.551 -4.972 8.510 1.00 0.00 C ATOM 885 C TYR A 66 -0.183 -6.201 7.680 1.00 0.00 C ATOM 886 O TYR A 66 -0.686 -7.302 7.919 1.00 0.00 O ATOM 887 CB TYR A 66 -1.586 -4.127 7.763 1.00 0.00 C ATOM 888 CG TYR A 66 -2.834 -4.907 7.410 1.00 0.00 C ATOM 889 CD1 TYR A 66 -3.855 -5.076 8.336 1.00 0.00 C ATOM 890 CD2 TYR A 66 -2.976 -5.495 6.160 1.00 0.00 C ATOM 891 CE1 TYR A 66 -4.983 -5.810 8.024 1.00 0.00 C ATOM 892 CE2 TYR A 66 -4.105 -6.227 5.838 1.00 0.00 C ATOM 893 CZ TYR A 66 -5.102 -6.381 6.775 1.00 0.00 C ATOM 894 OH TYR A 66 -6.219 -7.118 6.467 1.00 0.00 O ATOM 0 H TYR A 66 0.701 -3.294 8.342 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.993 -5.294 9.453 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.860 -3.270 8.378 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -1.138 -3.735 6.850 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.766 -4.627 9.314 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.192 -5.379 5.427 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.768 -5.936 8.755 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.203 -6.674 4.860 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.822 -7.137 7.239 1.00 0.00 H new ATOM 904 N ILE A 67 0.700 -5.998 6.707 1.00 0.00 N ATOM 905 CA ILE A 67 1.199 -7.084 5.866 1.00 0.00 C ATOM 906 C ILE A 67 1.791 -8.196 6.726 1.00 0.00 C ATOM 907 O ILE A 67 1.625 -9.377 6.433 1.00 0.00 O ATOM 908 CB ILE A 67 2.278 -6.573 4.883 1.00 0.00 C ATOM 909 CG1 ILE A 67 1.670 -5.580 3.892 1.00 0.00 C ATOM 910 CG2 ILE A 67 2.919 -7.733 4.140 1.00 0.00 C ATOM 911 CD1 ILE A 67 2.698 -4.871 3.037 1.00 0.00 C ATOM 0 H ILE A 67 1.088 -5.083 6.479 1.00 0.00 H new ATOM 0 HA ILE A 67 0.356 -7.474 5.296 1.00 0.00 H new ATOM 0 HB ILE A 67 3.051 -6.063 5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.972 -6.109 3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.093 -4.837 4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.675 -7.352 3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.386 -8.410 4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.156 -8.271 3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.194 -4.183 2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.382 -4.314 3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.259 -5.605 2.459 1.00 0.00 H new ATOM 923 N ARG A 68 2.456 -7.795 7.797 1.00 0.00 N ATOM 924 CA ARG A 68 3.106 -8.719 8.714 1.00 0.00 C ATOM 925 C ARG A 68 2.110 -9.686 9.346 1.00 0.00 C ATOM 926 O ARG A 68 2.351 -10.892 9.396 1.00 0.00 O ATOM 927 CB ARG A 68 3.812 -7.922 9.810 1.00 0.00 C ATOM 928 CG ARG A 68 4.520 -8.776 10.838 1.00 0.00 C ATOM 929 CD ARG A 68 5.173 -7.912 11.903 1.00 0.00 C ATOM 930 NE ARG A 68 6.007 -8.698 12.803 1.00 0.00 N ATOM 931 CZ ARG A 68 7.066 -8.220 13.450 1.00 0.00 C ATOM 932 NH1 ARG A 68 7.399 -6.935 13.343 1.00 0.00 N ATOM 933 NH2 ARG A 68 7.777 -9.030 14.218 1.00 0.00 N ATOM 0 H ARG A 68 2.561 -6.814 8.057 1.00 0.00 H new ATOM 0 HA ARG A 68 3.826 -9.309 8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.538 -7.253 9.347 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.079 -7.295 10.317 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.808 -9.458 11.303 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.276 -9.390 10.348 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.779 -7.143 11.425 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.402 -7.399 12.478 1.00 0.00 H new ATOM 0 HE ARG A 68 5.763 -9.678 12.946 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.840 -6.310 12.762 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.213 -6.576 13.842 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.511 -10.010 14.309 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.591 -8.674 14.719 1.00 0.00 H new ATOM 947 N THR A 69 0.995 -9.157 9.823 1.00 0.00 N ATOM 948 CA THR A 69 0.045 -9.944 10.581 1.00 0.00 C ATOM 949 C THR A 69 -0.973 -10.648 9.693 1.00 0.00 C ATOM 950 O THR A 69 -1.626 -11.600 10.119 1.00 0.00 O ATOM 951 CB THR A 69 -0.690 -9.051 11.592 1.00 0.00 C ATOM 952 OG1 THR A 69 -1.132 -7.847 10.945 1.00 0.00 O ATOM 953 CG2 THR A 69 0.208 -8.697 12.768 1.00 0.00 C ATOM 0 H THR A 69 0.728 -8.181 9.696 1.00 0.00 H new ATOM 0 HA THR A 69 0.615 -10.714 11.102 1.00 0.00 H new ATOM 0 HB THR A 69 -1.550 -9.604 11.971 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.602 -7.281 11.593 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.340 -8.064 13.467 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.521 -9.610 13.274 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.087 -8.163 12.407 1.00 0.00 H new ATOM 961 N SER A 70 -1.099 -10.192 8.462 1.00 0.00 N ATOM 962 CA SER A 70 -2.097 -10.748 7.563 1.00 0.00 C ATOM 963 C SER A 70 -1.453 -11.589 6.467 1.00 0.00 C ATOM 964 O SER A 70 -1.834 -12.739 6.257 1.00 0.00 O ATOM 965 CB SER A 70 -2.934 -9.622 6.959 1.00 0.00 C ATOM 966 OG SER A 70 -3.513 -8.821 7.979 1.00 0.00 O ATOM 0 H SER A 70 -0.530 -9.446 8.062 1.00 0.00 H new ATOM 0 HA SER A 70 -2.748 -11.407 8.138 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.309 -9.003 6.315 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.719 -10.043 6.331 1.00 0.00 H new ATOM 0 HG SER A 70 -3.942 -8.038 7.576 1.00 0.00 H new ATOM 972 N GLY A 71 -0.450 -11.015 5.809 1.00 0.00 N ATOM 973 CA GLY A 71 0.185 -11.656 4.661 1.00 0.00 C ATOM 974 C GLY A 71 -0.819 -12.192 3.650 1.00 0.00 C ATOM 975 O GLY A 71 -1.120 -13.386 3.643 1.00 0.00 O ATOM 0 H GLY A 71 -0.058 -10.105 6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.841 -10.939 4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.813 -12.475 5.011 1.00 0.00 H new ATOM 979 N ILE A 72 -1.326 -11.326 2.779 1.00 0.00 N ATOM 980 CA ILE A 72 -2.397 -11.712 1.864 1.00 0.00 C ATOM 981 C ILE A 72 -1.809 -12.239 0.548 1.00 0.00 C ATOM 982 O ILE A 72 -2.524 -12.544 -0.401 1.00 0.00 O ATOM 983 CB ILE A 72 -3.371 -10.532 1.627 1.00 0.00 C ATOM 984 CG1 ILE A 72 -3.830 -9.958 2.975 1.00 0.00 C ATOM 985 CG2 ILE A 72 -4.585 -10.967 0.807 1.00 0.00 C ATOM 986 CD1 ILE A 72 -4.597 -10.945 3.836 1.00 0.00 C ATOM 0 H ILE A 72 -1.016 -10.359 2.686 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.973 -12.519 2.318 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.841 -9.764 1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.956 -9.612 3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.458 -9.086 2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.248 -10.115 0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.254 -11.342 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.119 -11.755 1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.886 -10.464 4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.491 -11.273 3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.966 -11.807 4.052 1.00 0.00 H new ATOM 998 N ARG A 73 -0.484 -12.378 0.529 1.00 0.00 N ATOM 999 CA ARG A 73 0.256 -12.881 -0.638 1.00 0.00 C ATOM 1000 C ARG A 73 -0.109 -14.324 -0.959 1.00 0.00 C ATOM 1001 O ARG A 73 0.404 -14.907 -1.918 1.00 0.00 O ATOM 1002 CB ARG A 73 1.749 -12.819 -0.362 1.00 0.00 C ATOM 1003 CG ARG A 73 2.167 -13.745 0.768 1.00 0.00 C ATOM 1004 CD ARG A 73 3.573 -13.460 1.267 1.00 0.00 C ATOM 1005 NE ARG A 73 3.907 -14.301 2.416 1.00 0.00 N ATOM 1006 CZ ARG A 73 4.539 -13.865 3.508 1.00 0.00 C ATOM 1007 NH1 ARG A 73 4.913 -12.596 3.608 1.00 0.00 N ATOM 1008 NH2 ARG A 73 4.785 -14.696 4.510 1.00 0.00 N ATOM 0 H ARG A 73 0.113 -12.145 1.323 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.010 -12.253 -1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.295 -13.085 -1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.027 -11.795 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.464 -13.643 1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.109 -14.778 0.426 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.289 -13.635 0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.657 -12.409 1.545 1.00 0.00 H new ATOM 0 HE ARG A 73 3.640 -15.285 2.381 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.718 -11.945 2.847 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.395 -12.271 4.446 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.491 -15.671 4.448 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.268 -14.361 5.344 1.00 0.00 H new