USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=17 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 Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.283 F(o=-1.2,f=-0.28) USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 21 THR OG1 : rot 88:sc= 1.28 USER MOD Single : A 22 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 23 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -21:sc= 0.499 USER MOD Single : A 26 ASN :FLIP amide:sc= -1.96! C(o=-4.8!,f=-2!) USER MOD Single : A 28 THR OG1 : rot -62:sc= -1.46! USER MOD Single : A 33 GLN :FLIP amide:sc= -0.2 F(o=-1.1,f=-0.2) USER MOD Single : A 35 SER OG : rot -38:sc= 0.0254 USER MOD Single : A 36 HIS : no HE2:sc= 0.789 K(o=0.79,f=-5.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0438 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.171 X(o=0.17,f=-0.17) USER MOD Single : A 64 ASN : amide:sc= -0.0168 K(o=-0.017,f=-3!) USER MOD Single : A 66 TYR OH : rot 177:sc= -0.662 USER MOD Single : A 69 THR OG1 : rot -44:sc= 0.228 USER MOD Single : A 70 SER OG : rot 88:sc= 0.867 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 10.659 3.949 5.039 1.00 0.00 N ATOM 2 CA GLY A 10 9.440 4.599 5.449 1.00 0.00 C ATOM 3 C GLY A 10 8.664 5.101 4.251 1.00 0.00 C ATOM 4 O GLY A 10 7.669 4.494 3.868 1.00 0.00 O ATOM 0 HA2 GLY A 10 8.826 3.902 6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.673 5.433 6.111 1.00 0.00 H new ATOM 8 N PRO A 11 9.089 6.201 3.622 1.00 0.00 N ATOM 9 CA PRO A 11 8.484 6.650 2.381 1.00 0.00 C ATOM 10 C PRO A 11 8.937 5.792 1.215 1.00 0.00 C ATOM 11 O PRO A 11 10.130 5.567 1.014 1.00 0.00 O ATOM 12 CB PRO A 11 8.969 8.083 2.202 1.00 0.00 C ATOM 13 CG PRO A 11 9.772 8.411 3.425 1.00 0.00 C ATOM 14 CD PRO A 11 10.167 7.099 4.051 1.00 0.00 C ATOM 0 HA PRO A 11 7.397 6.581 2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.576 8.179 1.301 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.128 8.768 2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.654 8.995 3.163 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.187 9.011 4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.141 6.759 3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.227 7.170 5.137 1.00 0.00 H new ATOM 22 N PHE A 12 7.985 5.338 0.445 1.00 0.00 N ATOM 23 CA PHE A 12 8.259 4.368 -0.615 1.00 0.00 C ATOM 24 C PHE A 12 8.292 5.020 -1.985 1.00 0.00 C ATOM 25 O PHE A 12 8.142 6.234 -2.130 1.00 0.00 O ATOM 26 CB PHE A 12 7.222 3.235 -0.604 1.00 0.00 C ATOM 27 CG PHE A 12 5.791 3.678 -0.786 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.255 3.838 -2.053 1.00 0.00 C ATOM 29 CD2 PHE A 12 4.981 3.920 0.312 1.00 0.00 C ATOM 30 CE1 PHE A 12 3.939 4.231 -2.222 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.666 4.312 0.148 1.00 0.00 C ATOM 32 CZ PHE A 12 3.146 4.470 -1.119 1.00 0.00 C ATOM 0 H PHE A 12 7.007 5.617 0.521 1.00 0.00 H new ATOM 0 HA PHE A 12 9.246 3.951 -0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.471 2.527 -1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.303 2.698 0.341 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.872 3.654 -2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.382 3.801 1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.534 4.350 -3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.045 4.495 1.013 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.120 4.780 -1.248 1.00 0.00 H new ATOM 42 N THR A 13 8.503 4.191 -2.983 1.00 0.00 N ATOM 43 CA THR A 13 8.491 4.611 -4.364 1.00 0.00 C ATOM 44 C THR A 13 7.313 3.957 -5.070 1.00 0.00 C ATOM 45 O THR A 13 6.894 2.870 -4.673 1.00 0.00 O ATOM 46 CB THR A 13 9.798 4.192 -5.050 1.00 0.00 C ATOM 47 OG1 THR A 13 10.800 3.928 -4.058 1.00 0.00 O ATOM 48 CG2 THR A 13 10.283 5.282 -5.980 1.00 0.00 C ATOM 0 H THR A 13 8.690 3.196 -2.856 1.00 0.00 H new ATOM 0 HA THR A 13 8.397 5.696 -4.414 1.00 0.00 H new ATOM 0 HB THR A 13 9.612 3.290 -5.633 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.633 3.659 -4.498 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.211 4.967 -6.457 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.528 5.471 -6.743 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.460 6.194 -5.410 1.00 0.00 H new ATOM 56 N ARG A 14 6.776 4.600 -6.102 1.00 0.00 N ATOM 57 CA ARG A 14 5.627 4.057 -6.816 1.00 0.00 C ATOM 58 C ARG A 14 5.971 2.691 -7.390 1.00 0.00 C ATOM 59 O ARG A 14 5.238 1.725 -7.206 1.00 0.00 O ATOM 60 CB ARG A 14 5.199 4.995 -7.941 1.00 0.00 C ATOM 61 CG ARG A 14 3.809 4.699 -8.477 1.00 0.00 C ATOM 62 CD ARG A 14 3.434 5.633 -9.611 1.00 0.00 C ATOM 63 NE ARG A 14 2.073 5.385 -10.090 1.00 0.00 N ATOM 64 CZ ARG A 14 1.777 4.873 -11.284 1.00 0.00 C ATOM 65 NH1 ARG A 14 2.736 4.570 -12.151 1.00 0.00 N ATOM 66 NH2 ARG A 14 0.507 4.674 -11.610 1.00 0.00 N ATOM 0 H ARG A 14 7.116 5.492 -6.461 1.00 0.00 H new ATOM 0 HA ARG A 14 4.801 3.957 -6.112 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.229 6.023 -7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.918 4.923 -8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.766 3.667 -8.826 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.081 4.794 -7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.519 6.666 -9.274 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.138 5.507 -10.434 1.00 0.00 H new ATOM 0 HE ARG A 14 1.299 5.620 -9.468 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.713 4.729 -11.906 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.495 4.179 -13.062 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.233 4.912 -10.949 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.270 4.283 -12.522 1.00 0.00 H new ATOM 80 N ARG A 15 7.111 2.632 -8.063 1.00 0.00 N ATOM 81 CA ARG A 15 7.622 1.393 -8.637 1.00 0.00 C ATOM 82 C ARG A 15 7.778 0.311 -7.569 1.00 0.00 C ATOM 83 O ARG A 15 7.364 -0.838 -7.762 1.00 0.00 O ATOM 84 CB ARG A 15 8.963 1.668 -9.313 1.00 0.00 C ATOM 85 CG ARG A 15 8.847 2.613 -10.495 1.00 0.00 C ATOM 86 CD ARG A 15 10.204 3.009 -11.054 1.00 0.00 C ATOM 87 NE ARG A 15 11.035 1.848 -11.370 1.00 0.00 N ATOM 88 CZ ARG A 15 10.949 1.150 -12.500 1.00 0.00 C ATOM 89 NH1 ARG A 15 10.019 1.451 -13.401 1.00 0.00 N ATOM 90 NH2 ARG A 15 11.782 0.142 -12.723 1.00 0.00 N ATOM 0 H ARG A 15 7.709 3.442 -8.227 1.00 0.00 H new ATOM 0 HA ARG A 15 6.907 1.028 -9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.652 2.091 -8.582 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.395 0.725 -9.649 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.258 2.139 -11.280 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.307 3.509 -10.189 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.063 3.608 -11.954 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.723 3.638 -10.331 1.00 0.00 H new ATOM 0 HE ARG A 15 11.726 1.554 -10.679 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.370 2.218 -13.227 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.955 0.915 -14.266 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.489 -0.099 -12.028 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.715 -0.392 -13.589 1.00 0.00 H new ATOM 104 N GLN A 16 8.357 0.690 -6.434 1.00 0.00 N ATOM 105 CA GLN A 16 8.552 -0.237 -5.330 1.00 0.00 C ATOM 106 C GLN A 16 7.211 -0.719 -4.796 1.00 0.00 C ATOM 107 O GLN A 16 7.051 -1.893 -4.478 1.00 0.00 O ATOM 108 CB GLN A 16 9.370 0.416 -4.214 1.00 0.00 C ATOM 109 CG GLN A 16 10.850 0.547 -4.547 1.00 0.00 C ATOM 110 CD GLN A 16 11.507 -0.785 -4.881 1.00 0.00 C ATOM 111 OE1 GLN A 16 11.021 -1.862 -4.283 1.00 0.00 O flip ATOM 112 NE2 GLN A 16 12.450 -0.842 -5.669 1.00 0.00 N flip ATOM 0 H GLN A 16 8.699 1.634 -6.257 1.00 0.00 H new ATOM 0 HA GLN A 16 9.106 -1.099 -5.701 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.963 1.406 -4.006 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.261 -0.171 -3.302 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.968 1.225 -5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.368 0.999 -3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.798 0.009 -6.111 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.884 -1.740 -5.881 1.00 0.00 H new ATOM 121 N ALA A 17 6.252 0.194 -4.720 1.00 0.00 N ATOM 122 CA ALA A 17 4.902 -0.145 -4.287 1.00 0.00 C ATOM 123 C ALA A 17 4.265 -1.148 -5.244 1.00 0.00 C ATOM 124 O ALA A 17 3.650 -2.123 -4.811 1.00 0.00 O ATOM 125 CB ALA A 17 4.047 1.110 -4.186 1.00 0.00 C ATOM 0 H ALA A 17 6.384 1.178 -4.953 1.00 0.00 H new ATOM 0 HA ALA A 17 4.963 -0.605 -3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.042 0.840 -3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.490 1.795 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.996 1.595 -5.161 1.00 0.00 H new ATOM 131 N GLN A 18 4.443 -0.916 -6.545 1.00 0.00 N ATOM 132 CA GLN A 18 3.905 -1.792 -7.574 1.00 0.00 C ATOM 133 C GLN A 18 4.296 -3.241 -7.317 1.00 0.00 C ATOM 134 O GLN A 18 3.464 -4.147 -7.407 1.00 0.00 O ATOM 135 CB GLN A 18 4.413 -1.364 -8.950 1.00 0.00 C ATOM 136 CG GLN A 18 3.927 0.009 -9.387 1.00 0.00 C ATOM 137 CD GLN A 18 4.436 0.403 -10.759 1.00 0.00 C ATOM 138 OE1 GLN A 18 4.626 -0.575 -11.631 1.00 0.00 O flip ATOM 139 NE2 GLN A 18 4.650 1.585 -11.038 1.00 0.00 N flip ATOM 0 H GLN A 18 4.963 -0.118 -6.909 1.00 0.00 H new ATOM 0 HA GLN A 18 2.818 -1.714 -7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.503 -1.367 -8.941 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.098 -2.102 -9.688 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.837 0.019 -9.392 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.249 0.752 -8.658 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.492 2.311 -10.339 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.985 1.837 -11.968 1.00 0.00 H new ATOM 148 N ALA A 19 5.559 -3.451 -6.970 1.00 0.00 N ATOM 149 CA ALA A 19 6.072 -4.792 -6.710 1.00 0.00 C ATOM 150 C ALA A 19 5.392 -5.445 -5.505 1.00 0.00 C ATOM 151 O ALA A 19 5.252 -6.668 -5.446 1.00 0.00 O ATOM 152 CB ALA A 19 7.577 -4.747 -6.496 1.00 0.00 C ATOM 0 H ALA A 19 6.250 -2.708 -6.862 1.00 0.00 H new ATOM 0 HA ALA A 19 5.846 -5.401 -7.585 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.947 -5.754 -6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.060 -4.348 -7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.804 -4.107 -5.643 1.00 0.00 H new ATOM 158 N VAL A 20 4.909 -4.635 -4.570 1.00 0.00 N ATOM 159 CA VAL A 20 4.390 -5.166 -3.317 1.00 0.00 C ATOM 160 C VAL A 20 2.909 -5.383 -3.478 1.00 0.00 C ATOM 161 O VAL A 20 2.273 -6.127 -2.737 1.00 0.00 O ATOM 162 CB VAL A 20 4.631 -4.204 -2.134 1.00 0.00 C ATOM 163 CG1 VAL A 20 4.326 -4.887 -0.809 1.00 0.00 C ATOM 164 CG2 VAL A 20 6.055 -3.678 -2.142 1.00 0.00 C ATOM 0 H VAL A 20 4.866 -3.619 -4.654 1.00 0.00 H new ATOM 0 HA VAL A 20 4.910 -6.098 -3.095 1.00 0.00 H new ATOM 0 HB VAL A 20 3.953 -3.358 -2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.503 -4.189 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.284 -5.205 -0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.972 -5.757 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.198 -3.003 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.752 -4.512 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.239 -3.141 -3.072 1.00 0.00 H new ATOM 174 N THR A 21 2.388 -4.762 -4.511 1.00 0.00 N ATOM 175 CA THR A 21 0.979 -4.793 -4.788 1.00 0.00 C ATOM 176 C THR A 21 0.727 -5.934 -5.744 1.00 0.00 C ATOM 177 O THR A 21 -0.321 -6.580 -5.740 1.00 0.00 O ATOM 178 CB THR A 21 0.527 -3.467 -5.406 1.00 0.00 C ATOM 179 OG1 THR A 21 1.046 -2.367 -4.651 1.00 0.00 O ATOM 180 CG2 THR A 21 -0.968 -3.387 -5.407 1.00 0.00 C ATOM 0 H THR A 21 2.934 -4.221 -5.181 1.00 0.00 H new ATOM 0 HA THR A 21 0.413 -4.937 -3.868 1.00 0.00 H new ATOM 0 HB THR A 21 0.902 -3.418 -6.428 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.936 -2.131 -4.986 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.281 -2.441 -5.848 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.376 -4.212 -5.990 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.336 -3.450 -4.383 1.00 0.00 H new ATOM 188 N THR A 22 1.733 -6.168 -6.565 1.00 0.00 N ATOM 189 CA THR A 22 1.821 -7.364 -7.354 1.00 0.00 C ATOM 190 C THR A 22 1.893 -8.575 -6.428 1.00 0.00 C ATOM 191 O THR A 22 1.301 -9.620 -6.698 1.00 0.00 O ATOM 192 CB THR A 22 3.073 -7.303 -8.241 1.00 0.00 C ATOM 193 OG1 THR A 22 2.989 -6.184 -9.133 1.00 0.00 O ATOM 194 CG2 THR A 22 3.250 -8.579 -9.032 1.00 0.00 C ATOM 0 H THR A 22 2.513 -5.524 -6.698 1.00 0.00 H new ATOM 0 HA THR A 22 0.940 -7.451 -7.990 1.00 0.00 H new ATOM 0 HB THR A 22 3.940 -7.185 -7.591 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.221 -5.363 -8.651 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.145 -8.503 -9.649 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.352 -9.421 -8.347 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.381 -8.735 -9.671 1.00 0.00 H new ATOM 202 N THR A 23 2.611 -8.413 -5.323 1.00 0.00 N ATOM 203 CA THR A 23 2.712 -9.459 -4.330 1.00 0.00 C ATOM 204 C THR A 23 1.421 -9.565 -3.511 1.00 0.00 C ATOM 205 O THR A 23 0.833 -10.642 -3.416 1.00 0.00 O ATOM 206 CB THR A 23 3.920 -9.220 -3.406 1.00 0.00 C ATOM 207 OG1 THR A 23 5.102 -9.063 -4.202 1.00 0.00 O ATOM 208 CG2 THR A 23 4.115 -10.385 -2.451 1.00 0.00 C ATOM 0 H THR A 23 3.130 -7.564 -5.098 1.00 0.00 H new ATOM 0 HA THR A 23 2.861 -10.404 -4.853 1.00 0.00 H new ATOM 0 HB THR A 23 3.733 -8.319 -2.822 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.088 -8.186 -4.638 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.975 -10.190 -1.810 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.223 -10.504 -1.836 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.287 -11.298 -3.021 1.00 0.00 H new ATOM 216 N TYR A 24 0.965 -8.462 -2.921 1.00 0.00 N ATOM 217 CA TYR A 24 -0.258 -8.481 -2.162 1.00 0.00 C ATOM 218 C TYR A 24 -1.266 -7.554 -2.816 1.00 0.00 C ATOM 219 O TYR A 24 -1.236 -6.352 -2.610 1.00 0.00 O ATOM 220 CB TYR A 24 0.023 -8.049 -0.720 1.00 0.00 C ATOM 221 CG TYR A 24 1.053 -8.909 -0.032 1.00 0.00 C ATOM 222 CD1 TYR A 24 0.698 -10.120 0.523 1.00 0.00 C ATOM 223 CD2 TYR A 24 2.385 -8.520 0.037 1.00 0.00 C ATOM 224 CE1 TYR A 24 1.633 -10.925 1.133 1.00 0.00 C ATOM 225 CE2 TYR A 24 3.331 -9.324 0.642 1.00 0.00 C ATOM 226 CZ TYR A 24 2.944 -10.528 1.189 1.00 0.00 C ATOM 227 OH TYR A 24 3.871 -11.344 1.788 1.00 0.00 O ATOM 0 H TYR A 24 1.429 -7.555 -2.960 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.669 -9.490 -2.144 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.364 -7.014 -0.718 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.906 -8.080 -0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.332 -10.443 0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.685 -7.574 -0.389 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.334 -11.868 1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.364 -9.012 0.686 1.00 0.00 H new ATOM 0 HH TYR A 24 4.754 -10.922 1.746 1.00 0.00 H new ATOM 237 N SER A 25 -2.148 -8.107 -3.626 1.00 0.00 N ATOM 238 CA SER A 25 -3.118 -7.297 -4.331 1.00 0.00 C ATOM 239 C SER A 25 -4.245 -6.841 -3.406 1.00 0.00 C ATOM 240 O SER A 25 -5.217 -6.228 -3.849 1.00 0.00 O ATOM 241 CB SER A 25 -3.646 -8.077 -5.521 1.00 0.00 C ATOM 242 OG SER A 25 -2.574 -8.444 -6.376 1.00 0.00 O ATOM 0 H SER A 25 -2.212 -9.108 -3.811 1.00 0.00 H new ATOM 0 HA SER A 25 -2.632 -6.390 -4.692 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.170 -8.969 -5.178 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.369 -7.474 -6.070 1.00 0.00 H new ATOM 0 HG SER A 25 -1.806 -7.859 -6.208 1.00 0.00 H new ATOM 248 N ASN A 26 -4.108 -7.142 -2.115 1.00 0.00 N ATOM 249 CA ASN A 26 -4.974 -6.538 -1.111 1.00 0.00 C ATOM 250 C ASN A 26 -4.505 -5.106 -0.861 1.00 0.00 C ATOM 251 O ASN A 26 -5.225 -4.286 -0.295 1.00 0.00 O ATOM 252 CB ASN A 26 -5.002 -7.346 0.202 1.00 0.00 C ATOM 253 CG ASN A 26 -3.786 -7.132 1.105 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.609 -6.968 0.525 1.00 0.00 O flip ATOM 255 ND2 ASN A 26 -3.905 -7.146 2.324 1.00 0.00 N flip ATOM 0 H ASN A 26 -3.414 -7.792 -1.746 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.997 -6.537 -1.489 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.902 -7.082 0.757 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.077 -8.406 -0.040 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.825 -7.274 2.745 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.084 -7.029 2.918 1.00 0.00 H new ATOM 262 N ILE A 27 -3.280 -4.823 -1.297 1.00 0.00 N ATOM 263 CA ILE A 27 -2.762 -3.471 -1.302 1.00 0.00 C ATOM 264 C ILE A 27 -3.245 -2.817 -2.582 1.00 0.00 C ATOM 265 O ILE A 27 -3.473 -3.511 -3.574 1.00 0.00 O ATOM 266 CB ILE A 27 -1.212 -3.420 -1.287 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.601 -4.572 -0.475 1.00 0.00 C ATOM 268 CG2 ILE A 27 -0.738 -2.077 -0.745 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.901 -4.471 -0.319 1.00 0.00 C ATOM 0 H ILE A 27 -2.629 -5.523 -1.653 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.111 -2.963 -0.403 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.870 -3.536 -2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.060 -4.593 0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.845 -5.517 -0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.352 -2.051 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.116 -1.275 -1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.110 -1.943 0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.264 -5.317 0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.370 -4.481 -1.303 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.152 -3.542 0.193 1.00 0.00 H new ATOM 281 N THR A 28 -3.419 -1.514 -2.587 1.00 0.00 N ATOM 282 CA THR A 28 -3.853 -0.846 -3.799 1.00 0.00 C ATOM 283 C THR A 28 -3.096 0.448 -4.008 1.00 0.00 C ATOM 284 O THR A 28 -3.164 1.357 -3.181 1.00 0.00 O ATOM 285 CB THR A 28 -5.370 -0.562 -3.799 1.00 0.00 C ATOM 286 OG1 THR A 28 -5.778 -0.038 -2.533 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.173 -1.816 -4.111 1.00 0.00 C ATOM 0 H THR A 28 -3.271 -0.903 -1.783 1.00 0.00 H new ATOM 0 HA THR A 28 -3.637 -1.528 -4.621 1.00 0.00 H new ATOM 0 HB THR A 28 -5.565 0.174 -4.579 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.599 -0.699 -1.832 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.237 -1.578 -4.102 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.893 -2.192 -5.095 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.965 -2.577 -3.359 1.00 0.00 H new ATOM 295 N LEU A 29 -2.352 0.512 -5.099 1.00 0.00 N ATOM 296 CA LEU A 29 -1.680 1.736 -5.474 1.00 0.00 C ATOM 297 C LEU A 29 -2.677 2.598 -6.214 1.00 0.00 C ATOM 298 O LEU A 29 -2.945 2.385 -7.394 1.00 0.00 O ATOM 299 CB LEU A 29 -0.450 1.447 -6.340 1.00 0.00 C ATOM 300 CG LEU A 29 0.611 2.555 -6.375 1.00 0.00 C ATOM 301 CD1 LEU A 29 1.879 2.038 -7.024 1.00 0.00 C ATOM 302 CD2 LEU A 29 0.113 3.784 -7.120 1.00 0.00 C ATOM 0 H LEU A 29 -2.201 -0.269 -5.737 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.321 2.255 -4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.019 0.531 -5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.783 1.255 -7.360 1.00 0.00 H new ATOM 0 HG LEU A 29 0.820 2.848 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.627 2.831 -7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.262 1.193 -6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.662 1.718 -8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.891 4.547 -7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.134 3.512 -8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.776 4.175 -6.624 1.00 0.00 H new ATOM 314 N GLU A 30 -3.247 3.541 -5.501 1.00 0.00 N ATOM 315 CA GLU A 30 -4.317 4.356 -6.034 1.00 0.00 C ATOM 316 C GLU A 30 -4.051 5.819 -5.736 1.00 0.00 C ATOM 317 O GLU A 30 -2.982 6.168 -5.227 1.00 0.00 O ATOM 318 CB GLU A 30 -5.662 3.942 -5.425 1.00 0.00 C ATOM 319 CG GLU A 30 -6.036 2.483 -5.657 1.00 0.00 C ATOM 320 CD GLU A 30 -6.147 2.122 -7.125 1.00 0.00 C ATOM 321 OE1 GLU A 30 -6.793 2.876 -7.881 1.00 0.00 O ATOM 322 OE2 GLU A 30 -5.604 1.073 -7.527 1.00 0.00 O ATOM 0 H GLU A 30 -2.985 3.765 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.359 4.209 -7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.635 4.131 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.446 4.576 -5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.288 1.844 -5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.986 2.276 -5.165 1.00 0.00 H new ATOM 329 N ASP A 31 -5.034 6.660 -6.060 1.00 0.00 N ATOM 330 CA ASP A 31 -4.966 8.096 -5.793 1.00 0.00 C ATOM 331 C ASP A 31 -3.922 8.760 -6.694 1.00 0.00 C ATOM 332 O ASP A 31 -3.493 9.881 -6.439 1.00 0.00 O ATOM 333 CB ASP A 31 -4.648 8.352 -4.310 1.00 0.00 C ATOM 334 CG ASP A 31 -4.934 9.773 -3.862 1.00 0.00 C ATOM 335 OD1 ASP A 31 -6.114 10.078 -3.591 1.00 0.00 O ATOM 336 OD2 ASP A 31 -3.977 10.573 -3.749 1.00 0.00 O ATOM 0 H ASP A 31 -5.898 6.365 -6.514 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.938 8.537 -6.016 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.231 7.663 -3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.597 8.128 -4.129 1.00 0.00 H new ATOM 341 N ASP A 32 -3.535 8.057 -7.763 1.00 0.00 N ATOM 342 CA ASP A 32 -2.565 8.565 -8.725 1.00 0.00 C ATOM 343 C ASP A 32 -3.038 9.883 -9.319 1.00 0.00 C ATOM 344 O ASP A 32 -3.823 9.899 -10.271 1.00 0.00 O ATOM 345 CB ASP A 32 -2.362 7.568 -9.866 1.00 0.00 C ATOM 346 CG ASP A 32 -1.800 6.238 -9.422 1.00 0.00 C ATOM 347 OD1 ASP A 32 -2.594 5.353 -9.047 1.00 0.00 O ATOM 348 OD2 ASP A 32 -0.564 6.064 -9.482 1.00 0.00 O ATOM 0 H ASP A 32 -3.886 7.125 -7.981 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.625 8.715 -8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.317 7.400 -10.363 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.691 8.007 -10.604 1.00 0.00 H new ATOM 353 N GLN A 33 -2.580 10.986 -8.753 1.00 0.00 N ATOM 354 CA GLN A 33 -2.997 12.297 -9.213 1.00 0.00 C ATOM 355 C GLN A 33 -1.785 13.121 -9.620 1.00 0.00 C ATOM 356 O GLN A 33 -1.885 14.323 -9.869 1.00 0.00 O ATOM 357 CB GLN A 33 -3.783 12.998 -8.105 1.00 0.00 C ATOM 358 CG GLN A 33 -4.748 14.056 -8.611 1.00 0.00 C ATOM 359 CD GLN A 33 -5.841 13.479 -9.494 1.00 0.00 C ATOM 360 OE1 GLN A 33 -6.219 12.230 -9.248 1.00 0.00 O flip ATOM 361 NE2 GLN A 33 -6.349 14.152 -10.389 1.00 0.00 N flip ATOM 0 H GLN A 33 -1.920 10.999 -7.975 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.640 12.188 -10.086 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.341 12.251 -7.540 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.081 13.462 -7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.204 14.563 -7.760 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.194 14.809 -9.171 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.033 15.109 -10.549 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.086 13.754 -10.971 1.00 0.00 H new ATOM 370 N GLY A 34 -0.637 12.465 -9.689 1.00 0.00 N ATOM 371 CA GLY A 34 0.575 13.143 -10.089 1.00 0.00 C ATOM 372 C GLY A 34 1.641 13.110 -9.015 1.00 0.00 C ATOM 373 O GLY A 34 2.460 12.191 -8.970 1.00 0.00 O ATOM 0 H GLY A 34 -0.524 11.474 -9.475 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.964 12.680 -10.996 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.343 14.179 -10.334 1.00 0.00 H new ATOM 377 N SER A 35 1.620 14.104 -8.137 1.00 0.00 N ATOM 378 CA SER A 35 2.630 14.218 -7.102 1.00 0.00 C ATOM 379 C SER A 35 2.203 13.457 -5.850 1.00 0.00 C ATOM 380 O SER A 35 3.025 13.161 -4.984 1.00 0.00 O ATOM 381 CB SER A 35 2.890 15.692 -6.771 1.00 0.00 C ATOM 382 OG SER A 35 4.059 15.845 -5.979 1.00 0.00 O ATOM 0 H SER A 35 0.914 14.840 -8.124 1.00 0.00 H new ATOM 0 HA SER A 35 3.555 13.777 -7.472 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.997 16.261 -7.695 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.032 16.104 -6.240 1.00 0.00 H new ATOM 0 HG SER A 35 4.114 15.111 -5.332 1.00 0.00 H new ATOM 388 N HIS A 36 0.916 13.137 -5.753 1.00 0.00 N ATOM 389 CA HIS A 36 0.427 12.379 -4.611 1.00 0.00 C ATOM 390 C HIS A 36 -0.295 11.116 -5.051 1.00 0.00 C ATOM 391 O HIS A 36 -0.929 11.079 -6.108 1.00 0.00 O ATOM 392 CB HIS A 36 -0.476 13.223 -3.693 1.00 0.00 C ATOM 393 CG HIS A 36 -1.771 13.689 -4.299 1.00 0.00 C ATOM 394 ND1 HIS A 36 -2.942 12.957 -4.254 1.00 0.00 N ATOM 395 CD2 HIS A 36 -2.087 14.851 -4.917 1.00 0.00 C ATOM 396 CE1 HIS A 36 -3.914 13.651 -4.809 1.00 0.00 C ATOM 397 NE2 HIS A 36 -3.424 14.806 -5.220 1.00 0.00 N ATOM 0 H HIS A 36 0.205 13.387 -6.440 1.00 0.00 H new ATOM 0 HA HIS A 36 1.305 12.091 -4.033 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.703 12.639 -2.801 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.086 14.098 -3.366 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -3.039 12.024 -3.853 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.410 15.665 -5.132 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.940 13.329 -4.911 1.00 0.00 H new ATOM 406 N PHE A 37 -0.143 10.089 -4.232 1.00 0.00 N ATOM 407 CA PHE A 37 -0.824 8.815 -4.387 1.00 0.00 C ATOM 408 C PHE A 37 -0.648 8.037 -3.088 1.00 0.00 C ATOM 409 O PHE A 37 0.166 8.432 -2.245 1.00 0.00 O ATOM 410 CB PHE A 37 -0.277 8.024 -5.588 1.00 0.00 C ATOM 411 CG PHE A 37 1.202 7.762 -5.548 1.00 0.00 C ATOM 412 CD1 PHE A 37 2.093 8.669 -6.101 1.00 0.00 C ATOM 413 CD2 PHE A 37 1.700 6.607 -4.968 1.00 0.00 C ATOM 414 CE1 PHE A 37 3.451 8.427 -6.078 1.00 0.00 C ATOM 415 CE2 PHE A 37 3.058 6.359 -4.946 1.00 0.00 C ATOM 416 CZ PHE A 37 3.934 7.271 -5.498 1.00 0.00 C ATOM 0 H PHE A 37 0.473 10.119 -3.420 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.882 8.981 -4.588 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.800 7.069 -5.645 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.511 8.570 -6.502 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.720 9.575 -6.555 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.019 5.893 -4.528 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.135 9.141 -6.513 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.434 5.452 -4.497 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.997 7.081 -5.476 1.00 0.00 H new ATOM 426 N ARG A 38 -1.387 6.954 -2.911 1.00 0.00 N ATOM 427 CA ARG A 38 -1.344 6.220 -1.649 1.00 0.00 C ATOM 428 C ARG A 38 -1.689 4.748 -1.831 1.00 0.00 C ATOM 429 O ARG A 38 -2.358 4.365 -2.792 1.00 0.00 O ATOM 430 CB ARG A 38 -2.281 6.862 -0.616 1.00 0.00 C ATOM 431 CG ARG A 38 -3.702 7.093 -1.105 1.00 0.00 C ATOM 432 CD ARG A 38 -4.543 7.767 -0.033 1.00 0.00 C ATOM 433 NE ARG A 38 -5.824 8.251 -0.545 1.00 0.00 N ATOM 434 CZ ARG A 38 -6.770 8.806 0.215 1.00 0.00 C ATOM 435 NH1 ARG A 38 -6.603 8.910 1.530 1.00 0.00 N ATOM 436 NH2 ARG A 38 -7.887 9.254 -0.343 1.00 0.00 N ATOM 0 H ARG A 38 -2.017 6.565 -3.612 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.319 6.274 -1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.314 6.226 0.269 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.858 7.818 -0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.686 7.712 -2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.154 6.141 -1.382 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.723 7.062 0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.985 8.603 0.389 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.006 8.159 -1.544 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.747 8.564 1.964 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.331 9.335 2.104 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.021 9.174 -1.351 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.612 9.679 0.236 1.00 0.00 H new ATOM 450 N LEU A 39 -1.216 3.934 -0.896 1.00 0.00 N ATOM 451 CA LEU A 39 -1.485 2.503 -0.898 1.00 0.00 C ATOM 452 C LEU A 39 -2.565 2.178 0.115 1.00 0.00 C ATOM 453 O LEU A 39 -2.400 2.419 1.311 1.00 0.00 O ATOM 454 CB LEU A 39 -0.220 1.704 -0.567 1.00 0.00 C ATOM 455 CG LEU A 39 0.871 1.728 -1.634 1.00 0.00 C ATOM 456 CD1 LEU A 39 2.146 1.102 -1.101 1.00 0.00 C ATOM 457 CD2 LEU A 39 0.414 0.987 -2.876 1.00 0.00 C ATOM 0 H LEU A 39 -0.637 4.247 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.821 2.224 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.198 2.088 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.503 0.667 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 39 1.070 2.767 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.914 1.127 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.489 1.661 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.952 0.068 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.204 1.014 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.191 -0.049 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.482 1.463 -3.275 1.00 0.00 H new ATOM 469 N VAL A 40 -3.676 1.655 -0.364 1.00 0.00 N ATOM 470 CA VAL A 40 -4.773 1.271 0.508 1.00 0.00 C ATOM 471 C VAL A 40 -4.757 -0.235 0.732 1.00 0.00 C ATOM 472 O VAL A 40 -4.952 -1.010 -0.203 1.00 0.00 O ATOM 473 CB VAL A 40 -6.138 1.688 -0.081 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.262 1.400 0.908 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.124 3.159 -0.478 1.00 0.00 C ATOM 0 H VAL A 40 -3.845 1.485 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.638 1.789 1.458 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.320 1.097 -0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.215 1.701 0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.286 0.333 1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.090 1.959 1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.095 3.434 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.917 3.771 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.350 3.326 -1.228 1.00 0.00 H new ATOM 485 N VAL A 41 -4.500 -0.654 1.960 1.00 0.00 N ATOM 486 CA VAL A 41 -4.500 -2.068 2.290 1.00 0.00 C ATOM 487 C VAL A 41 -5.895 -2.503 2.727 1.00 0.00 C ATOM 488 O VAL A 41 -6.469 -1.948 3.671 1.00 0.00 O ATOM 489 CB VAL A 41 -3.491 -2.400 3.405 1.00 0.00 C ATOM 490 CG1 VAL A 41 -3.462 -3.898 3.662 1.00 0.00 C ATOM 491 CG2 VAL A 41 -2.100 -1.894 3.044 1.00 0.00 C ATOM 0 H VAL A 41 -4.289 -0.036 2.743 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.203 -2.610 1.392 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.810 -1.896 4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.744 -4.118 4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.453 -4.234 3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.168 -4.418 2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.404 -2.140 3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.770 -2.367 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.130 -0.813 2.908 1.00 0.00 H new ATOM 501 N ARG A 42 -6.439 -3.482 2.030 1.00 0.00 N ATOM 502 CA ARG A 42 -7.777 -3.977 2.312 1.00 0.00 C ATOM 503 C ARG A 42 -7.682 -5.323 3.020 1.00 0.00 C ATOM 504 O ARG A 42 -6.625 -5.949 3.017 1.00 0.00 O ATOM 505 CB ARG A 42 -8.562 -4.116 1.005 1.00 0.00 C ATOM 506 CG ARG A 42 -8.491 -2.871 0.131 1.00 0.00 C ATOM 507 CD ARG A 42 -9.084 -3.107 -1.254 1.00 0.00 C ATOM 508 NE ARG A 42 -10.547 -3.088 -1.249 1.00 0.00 N ATOM 509 CZ ARG A 42 -11.298 -3.310 -2.328 1.00 0.00 C ATOM 510 NH1 ARG A 42 -10.732 -3.668 -3.474 1.00 0.00 N ATOM 511 NH2 ARG A 42 -12.620 -3.194 -2.255 1.00 0.00 N ATOM 0 H ARG A 42 -5.971 -3.955 1.257 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.299 -3.273 2.960 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.176 -4.968 0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.605 -4.332 1.236 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.025 -2.055 0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.452 -2.558 0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.716 -2.342 -1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.738 -4.068 -1.635 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.021 -2.893 -0.367 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.719 -3.774 -3.531 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.310 -3.837 -4.297 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.061 -2.935 -1.373 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.193 -3.364 -3.081 1.00 0.00 H new ATOM 525 N ASP A 43 -8.767 -5.761 3.637 1.00 0.00 N ATOM 526 CA ASP A 43 -8.781 -7.060 4.297 1.00 0.00 C ATOM 527 C ASP A 43 -9.197 -8.140 3.311 1.00 0.00 C ATOM 528 O ASP A 43 -9.361 -7.876 2.118 1.00 0.00 O ATOM 529 CB ASP A 43 -9.731 -7.062 5.505 1.00 0.00 C ATOM 530 CG ASP A 43 -11.180 -7.301 5.122 1.00 0.00 C ATOM 531 OD1 ASP A 43 -11.659 -6.682 4.157 1.00 0.00 O ATOM 532 OD2 ASP A 43 -11.836 -8.137 5.774 1.00 0.00 O ATOM 0 H ASP A 43 -9.644 -5.243 3.696 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.773 -7.265 4.657 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.415 -7.834 6.207 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.651 -6.107 6.024 1.00 0.00 H new ATOM 537 N THR A 44 -9.413 -9.339 3.828 1.00 0.00 N ATOM 538 CA THR A 44 -9.745 -10.492 3.004 1.00 0.00 C ATOM 539 C THR A 44 -11.064 -10.298 2.256 1.00 0.00 C ATOM 540 O THR A 44 -11.311 -10.942 1.235 1.00 0.00 O ATOM 541 CB THR A 44 -9.821 -11.763 3.868 1.00 0.00 C ATOM 542 OG1 THR A 44 -10.478 -11.469 5.110 1.00 0.00 O ATOM 543 CG2 THR A 44 -8.430 -12.313 4.142 1.00 0.00 C ATOM 0 H THR A 44 -9.364 -9.541 4.827 1.00 0.00 H new ATOM 0 HA THR A 44 -8.952 -10.600 2.264 1.00 0.00 H new ATOM 0 HB THR A 44 -10.391 -12.516 3.324 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.525 -12.282 5.655 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.508 -13.211 4.754 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.943 -12.558 3.198 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.840 -11.564 4.670 1.00 0.00 H new ATOM 551 N GLU A 45 -11.908 -9.411 2.767 1.00 0.00 N ATOM 552 CA GLU A 45 -13.183 -9.126 2.135 1.00 0.00 C ATOM 553 C GLU A 45 -13.048 -7.963 1.159 1.00 0.00 C ATOM 554 O GLU A 45 -13.735 -7.911 0.139 1.00 0.00 O ATOM 555 CB GLU A 45 -14.236 -8.803 3.194 1.00 0.00 C ATOM 556 CG GLU A 45 -15.650 -8.723 2.644 1.00 0.00 C ATOM 557 CD GLU A 45 -16.674 -8.447 3.722 1.00 0.00 C ATOM 558 OE1 GLU A 45 -16.868 -9.314 4.595 1.00 0.00 O ATOM 559 OE2 GLU A 45 -17.292 -7.361 3.703 1.00 0.00 O ATOM 0 H GLU A 45 -11.730 -8.878 3.618 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.499 -10.010 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.201 -9.565 3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.985 -7.853 3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.700 -7.937 1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.896 -9.660 2.145 1.00 0.00 H new ATOM 566 N GLY A 46 -12.149 -7.038 1.464 1.00 0.00 N ATOM 567 CA GLY A 46 -11.980 -5.875 0.621 1.00 0.00 C ATOM 568 C GLY A 46 -12.251 -4.579 1.358 1.00 0.00 C ATOM 569 O GLY A 46 -12.330 -3.514 0.746 1.00 0.00 O ATOM 0 H GLY A 46 -11.536 -7.073 2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.963 -5.860 0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.651 -5.950 -0.234 1.00 0.00 H new ATOM 573 N ARG A 47 -12.393 -4.661 2.670 1.00 0.00 N ATOM 574 CA ARG A 47 -12.603 -3.491 3.487 1.00 0.00 C ATOM 575 C ARG A 47 -11.258 -2.839 3.779 1.00 0.00 C ATOM 576 O ARG A 47 -10.328 -3.510 4.222 1.00 0.00 O ATOM 577 CB ARG A 47 -13.290 -3.887 4.795 1.00 0.00 C ATOM 578 CG ARG A 47 -14.570 -4.687 4.608 1.00 0.00 C ATOM 579 CD ARG A 47 -15.229 -4.995 5.942 1.00 0.00 C ATOM 580 NE ARG A 47 -16.318 -5.961 5.805 1.00 0.00 N ATOM 581 CZ ARG A 47 -17.101 -6.357 6.804 1.00 0.00 C ATOM 582 NH1 ARG A 47 -16.997 -5.798 8.004 1.00 0.00 N ATOM 583 NH2 ARG A 47 -18.009 -7.300 6.586 1.00 0.00 N ATOM 0 H ARG A 47 -12.365 -5.538 3.191 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.242 -2.784 2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.594 -4.472 5.396 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.518 -2.984 5.361 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -15.262 -4.128 3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -14.347 -5.618 4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.483 -5.386 6.633 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.615 -4.073 6.377 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.488 -6.358 4.881 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.313 -5.059 8.165 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.602 -6.108 8.765 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -18.101 -7.714 5.659 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.614 -7.611 7.346 1.00 0.00 H new ATOM 597 N MET A 48 -11.137 -1.547 3.509 1.00 0.00 N ATOM 598 CA MET A 48 -9.886 -0.844 3.757 1.00 0.00 C ATOM 599 C MET A 48 -9.588 -0.782 5.247 1.00 0.00 C ATOM 600 O MET A 48 -10.360 -0.224 6.032 1.00 0.00 O ATOM 601 CB MET A 48 -9.894 0.567 3.152 1.00 0.00 C ATOM 602 CG MET A 48 -11.076 1.438 3.558 1.00 0.00 C ATOM 603 SD MET A 48 -12.635 0.908 2.820 1.00 0.00 S ATOM 604 CE MET A 48 -13.757 2.128 3.498 1.00 0.00 C ATOM 0 H MET A 48 -11.882 -0.968 3.122 1.00 0.00 H new ATOM 0 HA MET A 48 -9.094 -1.409 3.265 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.973 1.074 3.440 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.883 0.480 2.066 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.172 1.425 4.644 1.00 0.00 H new ATOM 0 HG3 MET A 48 -10.876 2.469 3.268 1.00 0.00 H new ATOM 0 HE1 MET A 48 -14.766 1.936 3.134 1.00 0.00 H new ATOM 0 HE2 MET A 48 -13.746 2.068 4.586 1.00 0.00 H new ATOM 0 HE3 MET A 48 -13.443 3.124 3.187 1.00 0.00 H new ATOM 614 N VAL A 49 -8.472 -1.378 5.629 1.00 0.00 N ATOM 615 CA VAL A 49 -8.066 -1.411 7.022 1.00 0.00 C ATOM 616 C VAL A 49 -7.063 -0.301 7.300 1.00 0.00 C ATOM 617 O VAL A 49 -7.077 0.316 8.366 1.00 0.00 O ATOM 618 CB VAL A 49 -7.449 -2.777 7.399 1.00 0.00 C ATOM 619 CG1 VAL A 49 -7.127 -2.836 8.887 1.00 0.00 C ATOM 620 CG2 VAL A 49 -8.385 -3.912 7.005 1.00 0.00 C ATOM 0 H VAL A 49 -7.829 -1.847 4.991 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.957 -1.260 7.632 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.516 -2.893 6.848 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.694 -3.807 9.127 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.415 -2.049 9.137 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.041 -2.694 9.463 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.935 -4.866 7.278 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.336 -3.797 7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.556 -3.886 5.929 1.00 0.00 H new ATOM 630 N TRP A 50 -6.211 -0.026 6.320 1.00 0.00 N ATOM 631 CA TRP A 50 -5.180 0.986 6.477 1.00 0.00 C ATOM 632 C TRP A 50 -4.701 1.497 5.126 1.00 0.00 C ATOM 633 O TRP A 50 -4.204 0.733 4.301 1.00 0.00 O ATOM 634 CB TRP A 50 -3.995 0.432 7.279 1.00 0.00 C ATOM 635 CG TRP A 50 -2.874 1.416 7.433 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.610 1.302 6.929 1.00 0.00 C ATOM 637 CD2 TRP A 50 -2.922 2.670 8.121 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.866 2.405 7.272 1.00 0.00 N ATOM 639 CE2 TRP A 50 -1.649 3.260 8.003 1.00 0.00 C ATOM 640 CE3 TRP A 50 -3.916 3.347 8.829 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -1.348 4.496 8.565 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -3.617 4.573 9.387 1.00 0.00 C ATOM 643 CH2 TRP A 50 -2.341 5.136 9.252 1.00 0.00 C ATOM 0 H TRP A 50 -6.215 -0.489 5.411 1.00 0.00 H new ATOM 0 HA TRP A 50 -5.617 1.821 7.025 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.343 0.130 8.267 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.618 -0.464 6.786 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.248 0.468 6.346 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.111 2.562 7.023 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.902 2.919 8.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.366 4.934 8.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.378 5.107 9.936 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -2.138 6.097 9.701 1.00 0.00 H new ATOM 654 N ARG A 51 -4.874 2.786 4.901 1.00 0.00 N ATOM 655 CA ARG A 51 -4.351 3.429 3.710 1.00 0.00 C ATOM 656 C ARG A 51 -3.244 4.404 4.093 1.00 0.00 C ATOM 657 O ARG A 51 -3.411 5.237 4.988 1.00 0.00 O ATOM 658 CB ARG A 51 -5.469 4.138 2.939 1.00 0.00 C ATOM 659 CG ARG A 51 -6.227 5.175 3.755 1.00 0.00 C ATOM 660 CD ARG A 51 -7.398 5.750 2.976 1.00 0.00 C ATOM 661 NE ARG A 51 -8.102 6.787 3.725 1.00 0.00 N ATOM 662 CZ ARG A 51 -9.288 7.284 3.378 1.00 0.00 C ATOM 663 NH1 ARG A 51 -9.922 6.826 2.301 1.00 0.00 N ATOM 664 NH2 ARG A 51 -9.833 8.243 4.111 1.00 0.00 N ATOM 0 H ARG A 51 -5.376 3.412 5.531 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.931 2.667 3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.040 4.624 2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.175 3.391 2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.590 4.720 4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.550 5.979 4.042 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.037 6.165 2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.094 4.949 2.725 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.658 7.154 4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.500 6.090 1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.830 7.211 2.041 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.345 8.595 4.934 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.741 8.629 3.852 1.00 0.00 H new ATOM 678 N ALA A 52 -2.110 4.280 3.429 1.00 0.00 N ATOM 679 CA ALA A 52 -0.955 5.103 3.738 1.00 0.00 C ATOM 680 C ALA A 52 -0.503 5.871 2.508 1.00 0.00 C ATOM 681 O ALA A 52 -0.545 5.350 1.392 1.00 0.00 O ATOM 682 CB ALA A 52 0.178 4.250 4.288 1.00 0.00 C ATOM 0 H ALA A 52 -1.964 3.615 2.670 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.241 5.824 4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.035 4.885 4.514 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.152 3.749 5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.464 3.504 3.547 1.00 0.00 H new ATOM 688 N TRP A 53 -0.079 7.107 2.712 1.00 0.00 N ATOM 689 CA TRP A 53 0.370 7.951 1.628 1.00 0.00 C ATOM 690 C TRP A 53 1.785 7.602 1.222 1.00 0.00 C ATOM 691 O TRP A 53 2.354 6.604 1.657 1.00 0.00 O ATOM 692 CB TRP A 53 0.313 9.420 2.033 1.00 0.00 C ATOM 693 CG TRP A 53 -1.054 9.960 2.124 1.00 0.00 C ATOM 694 CD1 TRP A 53 -1.775 10.065 3.244 1.00 0.00 C ATOM 695 CD2 TRP A 53 -1.856 10.483 1.064 1.00 0.00 C ATOM 696 NE1 TRP A 53 -2.992 10.623 2.973 1.00 0.00 N ATOM 697 CE2 TRP A 53 -3.069 10.891 1.634 1.00 0.00 C ATOM 698 CE3 TRP A 53 -1.666 10.648 -0.310 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -4.096 11.456 0.883 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -2.682 11.209 -1.056 1.00 0.00 C ATOM 701 CH2 TRP A 53 -3.885 11.607 -0.459 1.00 0.00 C ATOM 0 H TRP A 53 -0.038 7.548 3.631 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.295 7.782 0.781 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.806 9.540 2.998 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.878 10.008 1.310 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.443 9.753 4.223 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.724 10.810 3.658 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.742 10.343 -0.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.024 11.763 1.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.547 11.344 -2.119 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.661 12.042 -1.071 1.00 0.00 H new ATOM 712 N ASN A 54 2.347 8.458 0.405 1.00 0.00 N ATOM 713 CA ASN A 54 3.679 8.238 -0.140 1.00 0.00 C ATOM 714 C ASN A 54 4.717 9.071 0.605 1.00 0.00 C ATOM 715 O ASN A 54 5.868 8.664 0.750 1.00 0.00 O ATOM 716 CB ASN A 54 3.698 8.586 -1.634 1.00 0.00 C ATOM 717 CG ASN A 54 5.032 8.286 -2.287 1.00 0.00 C ATOM 718 OD1 ASN A 54 5.481 9.008 -3.172 1.00 0.00 O ATOM 719 ND2 ASN A 54 5.658 7.200 -1.874 1.00 0.00 N ATOM 0 H ASN A 54 1.904 9.323 0.096 1.00 0.00 H new ATOM 0 HA ASN A 54 3.932 7.185 -0.013 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.914 8.025 -2.144 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.466 9.644 -1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.549 6.934 -2.293 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.251 6.626 -1.135 1.00 0.00 H new ATOM 726 N PHE A 55 4.293 10.223 1.105 1.00 0.00 N ATOM 727 CA PHE A 55 5.207 11.167 1.738 1.00 0.00 C ATOM 728 C PHE A 55 5.331 10.908 3.239 1.00 0.00 C ATOM 729 O PHE A 55 6.011 11.651 3.949 1.00 0.00 O ATOM 730 CB PHE A 55 4.747 12.610 1.478 1.00 0.00 C ATOM 731 CG PHE A 55 3.317 12.882 1.870 1.00 0.00 C ATOM 732 CD1 PHE A 55 2.995 13.278 3.158 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.294 12.748 0.940 1.00 0.00 C ATOM 734 CE1 PHE A 55 1.686 13.530 3.514 1.00 0.00 C ATOM 735 CE2 PHE A 55 0.982 13.001 1.292 1.00 0.00 C ATOM 736 CZ PHE A 55 0.679 13.395 2.579 1.00 0.00 C ATOM 0 H PHE A 55 3.320 10.528 1.085 1.00 0.00 H new ATOM 0 HA PHE A 55 6.193 11.024 1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.398 13.291 2.026 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.870 12.834 0.418 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.779 13.391 3.893 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.527 12.443 -0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.449 13.833 4.523 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.195 12.890 0.561 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.345 13.598 2.855 1.00 0.00 H new ATOM 746 N GLU A 56 4.677 9.855 3.718 1.00 0.00 N ATOM 747 CA GLU A 56 4.733 9.507 5.129 1.00 0.00 C ATOM 748 C GLU A 56 6.075 8.866 5.462 1.00 0.00 C ATOM 749 O GLU A 56 6.531 7.960 4.763 1.00 0.00 O ATOM 750 CB GLU A 56 3.585 8.572 5.508 1.00 0.00 C ATOM 751 CG GLU A 56 2.213 9.211 5.372 1.00 0.00 C ATOM 752 CD GLU A 56 1.116 8.379 6.002 1.00 0.00 C ATOM 753 OE1 GLU A 56 1.146 8.200 7.240 1.00 0.00 O ATOM 754 OE2 GLU A 56 0.212 7.919 5.271 1.00 0.00 O ATOM 0 H GLU A 56 4.104 9.231 3.150 1.00 0.00 H new ATOM 0 HA GLU A 56 4.628 10.423 5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.627 7.684 4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.722 8.240 6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.228 10.197 5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.989 9.360 4.316 1.00 0.00 H new ATOM 761 N PRO A 57 6.714 9.327 6.550 1.00 0.00 N ATOM 762 CA PRO A 57 8.068 8.904 6.927 1.00 0.00 C ATOM 763 C PRO A 57 8.153 7.437 7.332 1.00 0.00 C ATOM 764 O PRO A 57 9.245 6.885 7.467 1.00 0.00 O ATOM 765 CB PRO A 57 8.407 9.800 8.121 1.00 0.00 C ATOM 766 CG PRO A 57 7.087 10.204 8.677 1.00 0.00 C ATOM 767 CD PRO A 57 6.164 10.312 7.499 1.00 0.00 C ATOM 0 HA PRO A 57 8.756 8.999 6.087 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.002 9.265 8.861 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.989 10.668 7.812 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.722 9.468 9.393 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.160 11.154 9.206 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.135 10.078 7.771 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.162 11.318 7.080 1.00 0.00 H new ATOM 775 N ASP A 58 7.003 6.806 7.526 1.00 0.00 N ATOM 776 CA ASP A 58 6.955 5.399 7.904 1.00 0.00 C ATOM 777 C ASP A 58 5.867 4.674 7.127 1.00 0.00 C ATOM 778 O ASP A 58 5.333 3.664 7.595 1.00 0.00 O ATOM 779 CB ASP A 58 6.702 5.249 9.409 1.00 0.00 C ATOM 780 CG ASP A 58 5.292 5.641 9.822 1.00 0.00 C ATOM 781 OD1 ASP A 58 4.834 6.740 9.444 1.00 0.00 O ATOM 782 OD2 ASP A 58 4.640 4.855 10.542 1.00 0.00 O ATOM 0 H ASP A 58 6.088 7.247 7.428 1.00 0.00 H new ATOM 0 HA ASP A 58 7.920 4.954 7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.884 4.215 9.700 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.418 5.864 9.954 1.00 0.00 H new ATOM 787 N ALA A 59 5.574 5.166 5.923 1.00 0.00 N ATOM 788 CA ALA A 59 4.506 4.609 5.105 1.00 0.00 C ATOM 789 C ALA A 59 4.680 3.105 4.937 1.00 0.00 C ATOM 790 O ALA A 59 3.756 2.331 5.185 1.00 0.00 O ATOM 791 CB ALA A 59 4.476 5.290 3.748 1.00 0.00 C ATOM 0 H ALA A 59 6.065 5.951 5.495 1.00 0.00 H new ATOM 0 HA ALA A 59 3.558 4.788 5.611 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.673 4.865 3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.304 6.358 3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.429 5.136 3.243 1.00 0.00 H new ATOM 797 N GLY A 60 5.887 2.699 4.558 1.00 0.00 N ATOM 798 CA GLY A 60 6.161 1.297 4.336 1.00 0.00 C ATOM 799 C GLY A 60 6.167 0.497 5.614 1.00 0.00 C ATOM 800 O GLY A 60 5.798 -0.674 5.616 1.00 0.00 O ATOM 0 H GLY A 60 6.681 3.320 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.412 0.887 3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.127 1.193 3.842 1.00 0.00 H new ATOM 804 N GLU A 61 6.548 1.129 6.713 1.00 0.00 N ATOM 805 CA GLU A 61 6.674 0.423 7.978 1.00 0.00 C ATOM 806 C GLU A 61 5.295 0.042 8.511 1.00 0.00 C ATOM 807 O GLU A 61 5.126 -1.018 9.116 1.00 0.00 O ATOM 808 CB GLU A 61 7.433 1.270 8.997 1.00 0.00 C ATOM 809 CG GLU A 61 7.857 0.489 10.225 1.00 0.00 C ATOM 810 CD GLU A 61 8.704 1.310 11.166 1.00 0.00 C ATOM 811 OE1 GLU A 61 9.935 1.370 10.965 1.00 0.00 O ATOM 812 OE2 GLU A 61 8.145 1.893 12.118 1.00 0.00 O ATOM 0 H GLU A 61 6.774 2.123 6.755 1.00 0.00 H new ATOM 0 HA GLU A 61 7.244 -0.491 7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.317 1.694 8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.805 2.106 9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.970 0.137 10.752 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.415 -0.394 9.915 1.00 0.00 H new ATOM 819 N GLY A 62 4.307 0.894 8.257 1.00 0.00 N ATOM 820 CA GLY A 62 2.949 0.588 8.670 1.00 0.00 C ATOM 821 C GLY A 62 2.324 -0.475 7.788 1.00 0.00 C ATOM 822 O GLY A 62 1.609 -1.365 8.266 1.00 0.00 O ATOM 0 H GLY A 62 4.421 1.786 7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.951 0.248 9.705 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.344 1.494 8.633 1.00 0.00 H new ATOM 826 N LEU A 63 2.607 -0.385 6.498 1.00 0.00 N ATOM 827 CA LEU A 63 2.106 -1.349 5.532 1.00 0.00 C ATOM 828 C LEU A 63 2.742 -2.716 5.762 1.00 0.00 C ATOM 829 O LEU A 63 2.049 -3.734 5.773 1.00 0.00 O ATOM 830 CB LEU A 63 2.397 -0.860 4.115 1.00 0.00 C ATOM 831 CG LEU A 63 1.839 0.524 3.785 1.00 0.00 C ATOM 832 CD1 LEU A 63 2.295 0.963 2.409 1.00 0.00 C ATOM 833 CD2 LEU A 63 0.321 0.527 3.866 1.00 0.00 C ATOM 0 H LEU A 63 3.185 0.352 6.094 1.00 0.00 H new ATOM 0 HA LEU A 63 1.028 -1.448 5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.477 -0.846 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.987 -1.580 3.406 1.00 0.00 H new ATOM 0 HG LEU A 63 2.222 1.231 4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.889 1.950 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.384 1.004 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.941 0.251 1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.054 1.522 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.083 -0.193 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.010 0.254 4.874 1.00 0.00 H new ATOM 845 N ASN A 64 4.059 -2.732 5.964 1.00 0.00 N ATOM 846 CA ASN A 64 4.777 -3.971 6.270 1.00 0.00 C ATOM 847 C ASN A 64 4.265 -4.579 7.570 1.00 0.00 C ATOM 848 O ASN A 64 4.250 -5.796 7.724 1.00 0.00 O ATOM 849 CB ASN A 64 6.287 -3.732 6.374 1.00 0.00 C ATOM 850 CG ASN A 64 6.949 -3.488 5.027 1.00 0.00 C ATOM 851 OD1 ASN A 64 6.512 -3.998 3.996 1.00 0.00 O ATOM 852 ND2 ASN A 64 8.016 -2.707 5.030 1.00 0.00 N ATOM 0 H ASN A 64 4.651 -1.902 5.922 1.00 0.00 H new ATOM 0 HA ASN A 64 4.594 -4.665 5.450 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.469 -2.874 7.022 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.753 -4.595 6.850 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.506 -2.510 4.157 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.349 -2.302 5.905 1.00 0.00 H new ATOM 859 N ARG A 65 3.847 -3.721 8.498 1.00 0.00 N ATOM 860 CA ARG A 65 3.243 -4.166 9.749 1.00 0.00 C ATOM 861 C ARG A 65 2.022 -5.035 9.457 1.00 0.00 C ATOM 862 O ARG A 65 1.847 -6.096 10.055 1.00 0.00 O ATOM 863 CB ARG A 65 2.871 -2.944 10.607 1.00 0.00 C ATOM 864 CG ARG A 65 2.186 -3.259 11.931 1.00 0.00 C ATOM 865 CD ARG A 65 0.669 -3.298 11.793 1.00 0.00 C ATOM 866 NE ARG A 65 0.138 -2.080 11.168 1.00 0.00 N ATOM 867 CZ ARG A 65 -1.053 -1.543 11.460 1.00 0.00 C ATOM 868 NH1 ARG A 65 -1.817 -2.076 12.409 1.00 0.00 N ATOM 869 NH2 ARG A 65 -1.477 -0.464 10.806 1.00 0.00 N ATOM 0 H ARG A 65 3.917 -2.708 8.405 1.00 0.00 H new ATOM 0 HA ARG A 65 3.958 -4.770 10.309 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.778 -2.376 10.813 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.216 -2.297 10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.541 -4.220 12.303 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.464 -2.508 12.671 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.382 -4.165 11.198 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.219 -3.425 12.778 1.00 0.00 H new ATOM 0 HE ARG A 65 0.713 -1.613 10.467 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.497 -2.899 12.919 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.723 -1.662 12.627 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.894 -0.045 10.081 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.385 -0.056 11.030 1.00 0.00 H new ATOM 883 N TYR A 66 1.189 -4.586 8.521 1.00 0.00 N ATOM 884 CA TYR A 66 0.032 -5.367 8.097 1.00 0.00 C ATOM 885 C TYR A 66 0.491 -6.635 7.371 1.00 0.00 C ATOM 886 O TYR A 66 0.092 -7.745 7.729 1.00 0.00 O ATOM 887 CB TYR A 66 -0.870 -4.524 7.181 1.00 0.00 C ATOM 888 CG TYR A 66 -2.174 -5.194 6.793 1.00 0.00 C ATOM 889 CD1 TYR A 66 -2.198 -6.250 5.888 1.00 0.00 C ATOM 890 CD2 TYR A 66 -3.383 -4.766 7.332 1.00 0.00 C ATOM 891 CE1 TYR A 66 -3.384 -6.857 5.529 1.00 0.00 C ATOM 892 CE2 TYR A 66 -4.575 -5.370 6.978 1.00 0.00 C ATOM 893 CZ TYR A 66 -4.569 -6.418 6.078 1.00 0.00 C ATOM 894 OH TYR A 66 -5.752 -7.015 5.712 1.00 0.00 O ATOM 0 H TYR A 66 1.293 -3.690 8.045 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.540 -5.656 8.978 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.095 -3.582 7.681 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.318 -4.279 6.274 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.271 -6.601 5.458 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.390 -3.949 8.038 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.383 -7.672 4.821 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.506 -5.024 7.403 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.489 -6.622 6.225 1.00 0.00 H new ATOM 904 N ILE A 67 1.336 -6.448 6.360 1.00 0.00 N ATOM 905 CA ILE A 67 1.853 -7.542 5.531 1.00 0.00 C ATOM 906 C ILE A 67 2.431 -8.672 6.378 1.00 0.00 C ATOM 907 O ILE A 67 2.063 -9.837 6.213 1.00 0.00 O ATOM 908 CB ILE A 67 2.957 -7.022 4.583 1.00 0.00 C ATOM 909 CG1 ILE A 67 2.394 -5.979 3.611 1.00 0.00 C ATOM 910 CG2 ILE A 67 3.599 -8.169 3.821 1.00 0.00 C ATOM 911 CD1 ILE A 67 3.460 -5.256 2.810 1.00 0.00 C ATOM 0 H ILE A 67 1.685 -5.529 6.089 1.00 0.00 H new ATOM 0 HA ILE A 67 1.012 -7.930 4.956 1.00 0.00 H new ATOM 0 HB ILE A 67 3.725 -6.543 5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.706 -6.470 2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.815 -5.246 4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.373 -7.779 3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.044 -8.871 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.841 -8.682 3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.988 -4.534 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.135 -4.736 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.024 -5.978 2.220 1.00 0.00 H new ATOM 923 N ARG A 68 3.313 -8.305 7.292 1.00 0.00 N ATOM 924 CA ARG A 68 4.067 -9.250 8.101 1.00 0.00 C ATOM 925 C ARG A 68 3.160 -10.208 8.867 1.00 0.00 C ATOM 926 O ARG A 68 3.515 -11.367 9.086 1.00 0.00 O ATOM 927 CB ARG A 68 4.947 -8.469 9.075 1.00 0.00 C ATOM 928 CG ARG A 68 5.803 -9.333 9.979 1.00 0.00 C ATOM 929 CD ARG A 68 6.703 -8.474 10.856 1.00 0.00 C ATOM 930 NE ARG A 68 7.591 -7.630 10.054 1.00 0.00 N ATOM 931 CZ ARG A 68 7.550 -6.295 10.038 1.00 0.00 C ATOM 932 NH1 ARG A 68 6.683 -5.632 10.801 1.00 0.00 N ATOM 933 NH2 ARG A 68 8.384 -5.625 9.258 1.00 0.00 N ATOM 0 H ARG A 68 3.529 -7.329 7.496 1.00 0.00 H new ATOM 0 HA ARG A 68 4.679 -9.858 7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.597 -7.805 8.505 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.310 -7.837 9.694 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.164 -9.955 10.606 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.412 -10.007 9.376 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.090 -7.846 11.503 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.299 -9.115 11.506 1.00 0.00 H new ATOM 0 HE ARG A 68 8.287 -8.092 9.469 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.041 -6.144 11.406 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.661 -4.612 10.780 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.052 -6.128 8.674 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.358 -4.605 9.241 1.00 0.00 H new ATOM 947 N THR A 69 1.989 -9.738 9.260 1.00 0.00 N ATOM 948 CA THR A 69 1.118 -10.541 10.096 1.00 0.00 C ATOM 949 C THR A 69 -0.139 -10.982 9.344 1.00 0.00 C ATOM 950 O THR A 69 -1.098 -11.472 9.943 1.00 0.00 O ATOM 951 CB THR A 69 0.744 -9.781 11.392 1.00 0.00 C ATOM 952 OG1 THR A 69 0.245 -10.692 12.375 1.00 0.00 O ATOM 953 CG2 THR A 69 -0.289 -8.694 11.123 1.00 0.00 C ATOM 0 H THR A 69 1.624 -8.817 9.017 1.00 0.00 H new ATOM 0 HA THR A 69 1.668 -11.441 10.371 1.00 0.00 H new ATOM 0 HB THR A 69 1.649 -9.304 11.768 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.383 -11.316 11.954 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.528 -8.181 12.054 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.115 -7.978 10.407 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.193 -9.145 10.714 1.00 0.00 H new ATOM 961 N SER A 70 -0.115 -10.856 8.027 1.00 0.00 N ATOM 962 CA SER A 70 -1.268 -11.233 7.219 1.00 0.00 C ATOM 963 C SER A 70 -0.844 -12.050 6.002 1.00 0.00 C ATOM 964 O SER A 70 -1.308 -13.170 5.807 1.00 0.00 O ATOM 965 CB SER A 70 -2.029 -9.983 6.779 1.00 0.00 C ATOM 966 OG SER A 70 -2.334 -9.156 7.890 1.00 0.00 O ATOM 0 H SER A 70 0.680 -10.500 7.497 1.00 0.00 H new ATOM 0 HA SER A 70 -1.924 -11.854 7.829 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.432 -9.424 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.950 -10.273 6.273 1.00 0.00 H new ATOM 0 HG SER A 70 -1.592 -8.535 8.049 1.00 0.00 H new ATOM 972 N GLY A 71 0.067 -11.483 5.221 1.00 0.00 N ATOM 973 CA GLY A 71 0.537 -12.115 3.992 1.00 0.00 C ATOM 974 C GLY A 71 -0.580 -12.652 3.100 1.00 0.00 C ATOM 975 O GLY A 71 -0.774 -13.862 3.008 1.00 0.00 O ATOM 0 H GLY A 71 0.498 -10.580 5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.124 -11.392 3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.206 -12.935 4.251 1.00 0.00 H new ATOM 979 N ILE A 72 -1.278 -11.759 2.394 1.00 0.00 N ATOM 980 CA ILE A 72 -2.444 -12.152 1.595 1.00 0.00 C ATOM 981 C ILE A 72 -2.037 -12.922 0.324 1.00 0.00 C ATOM 982 O ILE A 72 -2.834 -13.672 -0.237 1.00 0.00 O ATOM 983 CB ILE A 72 -3.314 -10.908 1.239 1.00 0.00 C ATOM 984 CG1 ILE A 72 -4.261 -10.563 2.397 1.00 0.00 C ATOM 985 CG2 ILE A 72 -4.114 -11.107 -0.044 1.00 0.00 C ATOM 986 CD1 ILE A 72 -3.560 -10.095 3.652 1.00 0.00 C ATOM 0 H ILE A 72 -1.059 -10.764 2.358 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.043 -12.829 2.204 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.626 -10.079 1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.951 -9.786 2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.861 -11.441 2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.703 -10.213 -0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.431 -11.289 -0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.780 -11.962 0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.300 -9.872 4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.891 -10.878 4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.983 -9.197 3.433 1.00 0.00 H new ATOM 998 N ARG A 73 -0.786 -12.764 -0.099 1.00 0.00 N ATOM 999 CA ARG A 73 -0.290 -13.415 -1.313 1.00 0.00 C ATOM 1000 C ARG A 73 -0.440 -14.934 -1.236 1.00 0.00 C ATOM 1001 O ARG A 73 -1.196 -15.538 -1.991 1.00 0.00 O ATOM 1002 CB ARG A 73 1.181 -13.085 -1.522 1.00 0.00 C ATOM 1003 CG ARG A 73 1.876 -14.072 -2.438 1.00 0.00 C ATOM 1004 CD ARG A 73 2.024 -13.546 -3.861 1.00 0.00 C ATOM 1005 NE ARG A 73 3.422 -13.318 -4.238 1.00 0.00 N ATOM 1006 CZ ARG A 73 4.215 -14.252 -4.775 1.00 0.00 C ATOM 1007 NH1 ARG A 73 3.786 -15.502 -4.904 1.00 0.00 N ATOM 1008 NH2 ARG A 73 5.438 -13.932 -5.180 1.00 0.00 N ATOM 0 H ARG A 73 -0.093 -12.189 0.381 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.885 -13.042 -2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.269 -12.083 -1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.687 -13.072 -0.557 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.862 -14.303 -2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.312 -15.005 -2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.576 -14.257 -4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.469 -12.613 -3.959 1.00 0.00 H new ATOM 0 HE ARG A 73 3.814 -12.390 -4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.848 -15.754 -4.593 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.395 -16.210 -5.314 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.773 -12.974 -5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.042 -14.644 -5.589 1.00 0.00 H new