USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 764 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 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 23:sc= 1.18 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.1) USER MOD Single : A 23 ASN : amide:sc= -9.01! C(o=-9!,f=-14!) USER MOD Single : A 25 THR OG1 : rot -11:sc= 0.793 USER MOD Single : A 33 SER OG : rot -83:sc= 1.19 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0.0759 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -170:sc= -2.47! USER MOD Single : A 47 THR OG1 : rot -24:sc= 0.506! USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -13.4! C(o=-13!,f=-18!) USER MOD Single : A 53 TYR OH : rot 9:sc= -4.79! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : +bothHN:sc= -1.86 K(o=-1.9,f=-7.7!) USER MOD Single : A 66 ASN : amide:sc= -0.0389 X(o=-0.039,f=-0.25) USER MOD Single : A 70 SER OG : rot 39:sc= -0.251 USER MOD Single : A 73 SER OG : rot 180:sc= 0.167 USER MOD Single : A 79 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.084) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -15.9! C(o=-16!,f=-23!) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.516 F(o=-1.4,f=-0.52) USER MOD Single : A 85 SER OG : rot 180:sc= -1.02 USER MOD Single : A 87 SER OG : rot -68:sc= -0.13 USER MOD Single : A 88 HIS : no HE2:sc= -10.6! C(o=-11!,f=-14!) USER MOD Single : A 96 CYS SG : rot 16:sc= -0.765 USER MOD ----------------------------------------------------------------- ATOM 29 N PRO A 3 5.454 1.071 4.638 1.00 0.00 N ATOM 30 CA PRO A 3 4.049 1.474 4.529 1.00 0.00 C ATOM 31 C PRO A 3 3.332 1.447 5.872 1.00 0.00 C ATOM 32 O PRO A 3 2.339 2.145 6.073 1.00 0.00 O ATOM 33 CB PRO A 3 3.426 0.388 3.633 1.00 0.00 C ATOM 34 CG PRO A 3 4.535 -0.559 3.283 1.00 0.00 C ATOM 35 CD PRO A 3 5.623 -0.343 4.297 1.00 0.00 C ATOM 0 HA PRO A 3 3.964 2.491 4.147 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.622 -0.131 4.154 1.00 0.00 H new ATOM 0 HB3 PRO A 3 2.992 0.827 2.735 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.184 -1.591 3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.902 -0.369 2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.502 -0.989 5.167 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.611 -0.547 3.884 1.00 0.00 H new ATOM 43 N TRP A 4 3.812 0.588 6.768 1.00 0.00 N ATOM 44 CA TRP A 4 3.196 0.400 8.076 1.00 0.00 C ATOM 45 C TRP A 4 2.027 -0.565 7.918 1.00 0.00 C ATOM 46 O TRP A 4 0.920 -0.169 7.547 1.00 0.00 O ATOM 47 CB TRP A 4 2.730 1.730 8.685 1.00 0.00 C ATOM 48 CG TRP A 4 3.317 2.003 10.036 1.00 0.00 C ATOM 49 CD1 TRP A 4 3.644 1.083 10.991 1.00 0.00 C ATOM 50 CD2 TRP A 4 3.649 3.284 10.583 1.00 0.00 C ATOM 51 NE1 TRP A 4 4.159 1.714 12.097 1.00 0.00 N ATOM 52 CE2 TRP A 4 4.173 3.065 11.871 1.00 0.00 C ATOM 53 CE3 TRP A 4 3.555 4.595 10.107 1.00 0.00 C ATOM 54 CZ2 TRP A 4 4.600 4.110 12.689 1.00 0.00 C ATOM 55 CZ3 TRP A 4 3.980 5.630 10.919 1.00 0.00 C ATOM 56 CH2 TRP A 4 4.497 5.383 12.197 1.00 0.00 C ATOM 0 H TRP A 4 4.634 0.006 6.608 1.00 0.00 H new ATOM 0 HA TRP A 4 3.934 -0.012 8.764 1.00 0.00 H new ATOM 0 HB2 TRP A 4 2.996 2.543 8.010 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.643 1.724 8.764 1.00 0.00 H new ATOM 0 HD1 TRP A 4 3.516 0.015 10.891 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.479 1.252 12.948 1.00 0.00 H new ATOM 0 HE3 TRP A 4 3.158 4.796 9.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 4.998 3.922 13.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 3.912 6.647 10.562 1.00 0.00 H new ATOM 0 HH2 TRP A 4 4.821 6.214 12.806 1.00 0.00 H new ATOM 67 N PHE A 5 2.296 -1.843 8.154 1.00 0.00 N ATOM 68 CA PHE A 5 1.287 -2.883 8.002 1.00 0.00 C ATOM 69 C PHE A 5 0.167 -2.741 9.026 1.00 0.00 C ATOM 70 O PHE A 5 0.397 -2.809 10.233 1.00 0.00 O ATOM 71 CB PHE A 5 1.930 -4.267 8.124 1.00 0.00 C ATOM 72 CG PHE A 5 2.827 -4.412 9.322 1.00 0.00 C ATOM 73 CD1 PHE A 5 2.301 -4.733 10.563 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.196 -4.227 9.205 1.00 0.00 C ATOM 75 CE1 PHE A 5 3.123 -4.868 11.665 1.00 0.00 C ATOM 76 CE2 PHE A 5 5.023 -4.362 10.304 1.00 0.00 C ATOM 77 CZ PHE A 5 4.486 -4.682 11.535 1.00 0.00 C ATOM 0 H PHE A 5 3.209 -2.185 8.453 1.00 0.00 H new ATOM 0 HA PHE A 5 0.849 -2.771 7.010 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.144 -5.020 8.176 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.507 -4.471 7.222 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.236 -4.879 10.670 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.621 -3.975 8.245 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.701 -5.119 12.627 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.088 -4.217 10.200 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.130 -4.787 12.395 1.00 0.00 H new ATOM 87 N PHE A 6 -1.049 -2.565 8.525 1.00 0.00 N ATOM 88 CA PHE A 6 -2.223 -2.438 9.377 1.00 0.00 C ATOM 89 C PHE A 6 -3.300 -3.405 8.905 1.00 0.00 C ATOM 90 O PHE A 6 -4.078 -3.092 8.010 1.00 0.00 O ATOM 91 CB PHE A 6 -2.752 -1.003 9.353 1.00 0.00 C ATOM 92 CG PHE A 6 -2.115 -0.112 10.381 1.00 0.00 C ATOM 93 CD1 PHE A 6 -0.768 0.203 10.303 1.00 0.00 C ATOM 94 CD2 PHE A 6 -2.862 0.411 11.424 1.00 0.00 C ATOM 95 CE1 PHE A 6 -0.178 1.023 11.247 1.00 0.00 C ATOM 96 CE2 PHE A 6 -2.278 1.231 12.370 1.00 0.00 C ATOM 97 CZ PHE A 6 -0.935 1.538 12.282 1.00 0.00 C ATOM 0 H PHE A 6 -1.248 -2.507 7.526 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.945 -2.681 10.403 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.585 -0.579 8.363 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.830 -1.019 9.515 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.172 -0.197 9.496 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.913 0.175 11.498 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.873 1.261 11.176 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.872 1.632 13.178 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.477 2.179 13.020 1.00 0.00 H new ATOM 107 N GLY A 7 -3.331 -4.589 9.506 1.00 0.00 N ATOM 108 CA GLY A 7 -4.305 -5.586 9.119 1.00 0.00 C ATOM 109 C GLY A 7 -5.646 -5.386 9.782 1.00 0.00 C ATOM 110 O GLY A 7 -6.492 -6.280 9.758 1.00 0.00 O ATOM 0 H GLY A 7 -2.698 -4.874 10.254 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.433 -5.561 8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.924 -6.576 9.372 1.00 0.00 H new ATOM 114 N CYS A 8 -5.851 -4.217 10.382 1.00 0.00 N ATOM 115 CA CYS A 8 -7.108 -3.940 11.050 1.00 0.00 C ATOM 116 C CYS A 8 -7.784 -2.682 10.505 1.00 0.00 C ATOM 117 O CYS A 8 -8.928 -2.390 10.854 1.00 0.00 O ATOM 118 CB CYS A 8 -6.893 -3.810 12.559 1.00 0.00 C ATOM 119 SG CYS A 8 -7.024 -5.373 13.460 1.00 0.00 S ATOM 0 H CYS A 8 -5.170 -3.459 10.417 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.771 -4.782 10.851 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.908 -3.380 12.739 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.625 -3.109 12.961 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.825 -5.161 14.727 1.00 0.00 H new ATOM 125 N ILE A 9 -7.085 -1.944 9.649 1.00 0.00 N ATOM 126 CA ILE A 9 -7.645 -0.729 9.068 1.00 0.00 C ATOM 127 C ILE A 9 -8.646 -1.065 7.969 1.00 0.00 C ATOM 128 O ILE A 9 -8.630 -2.165 7.416 1.00 0.00 O ATOM 129 CB ILE A 9 -6.553 0.185 8.475 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.767 -0.557 7.399 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.619 0.689 9.564 1.00 0.00 C ATOM 132 CD1 ILE A 9 -4.727 0.300 6.720 1.00 0.00 C ATOM 0 H ILE A 9 -6.137 -2.164 9.344 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.144 -0.200 9.880 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.039 1.047 8.019 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.278 -1.422 7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.461 -0.936 6.649 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.858 1.331 9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.190 1.256 10.299 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.139 -0.159 10.053 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.205 -0.290 5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.212 1.151 6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.011 0.658 7.460 1.00 0.00 H new ATOM 144 N SER A 10 -9.510 -0.110 7.653 1.00 0.00 N ATOM 145 CA SER A 10 -10.513 -0.302 6.615 1.00 0.00 C ATOM 146 C SER A 10 -10.283 0.670 5.464 1.00 0.00 C ATOM 147 O SER A 10 -9.552 1.651 5.606 1.00 0.00 O ATOM 148 CB SER A 10 -11.918 -0.110 7.189 1.00 0.00 C ATOM 149 OG SER A 10 -12.903 -0.631 6.314 1.00 0.00 O ATOM 0 H SER A 10 -9.536 0.806 8.101 1.00 0.00 H new ATOM 0 HA SER A 10 -10.424 -1.320 6.236 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.989 -0.605 8.157 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.103 0.951 7.359 1.00 0.00 H new ATOM 0 HG SER A 10 -12.498 -1.307 5.731 1.00 0.00 H new ATOM 155 N ARG A 11 -10.911 0.398 4.325 1.00 0.00 N ATOM 156 CA ARG A 11 -10.769 1.257 3.155 1.00 0.00 C ATOM 157 C ARG A 11 -11.172 2.692 3.479 1.00 0.00 C ATOM 158 O ARG A 11 -10.761 3.635 2.803 1.00 0.00 O ATOM 159 CB ARG A 11 -11.614 0.723 1.996 1.00 0.00 C ATOM 160 CG ARG A 11 -10.940 0.858 0.640 1.00 0.00 C ATOM 161 CD ARG A 11 -11.429 -0.204 -0.334 1.00 0.00 C ATOM 162 NE ARG A 11 -11.690 0.349 -1.661 1.00 0.00 N ATOM 163 CZ ARG A 11 -12.792 1.026 -1.978 1.00 0.00 C ATOM 164 NH1 ARG A 11 -13.735 1.236 -1.068 1.00 0.00 N ATOM 165 NH2 ARG A 11 -12.952 1.493 -3.208 1.00 0.00 N ATOM 0 H ARG A 11 -11.521 -0.408 4.187 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.720 1.254 2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.841 -0.328 2.177 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.565 1.256 1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.139 1.848 0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.860 0.774 0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.684 -0.996 -0.411 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.340 -0.660 0.054 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.987 0.208 -2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.618 0.878 -0.120 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.577 1.755 -1.317 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.231 1.334 -3.912 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.796 2.012 -3.451 1.00 0.00 H new ATOM 179 N SER A 12 -11.974 2.841 4.522 1.00 0.00 N ATOM 180 CA SER A 12 -12.440 4.153 4.953 1.00 0.00 C ATOM 181 C SER A 12 -11.361 4.880 5.750 1.00 0.00 C ATOM 182 O SER A 12 -11.170 6.085 5.595 1.00 0.00 O ATOM 183 CB SER A 12 -13.707 4.015 5.797 1.00 0.00 C ATOM 184 OG SER A 12 -14.493 2.919 5.361 1.00 0.00 O ATOM 0 H SER A 12 -12.318 2.066 5.089 1.00 0.00 H new ATOM 0 HA SER A 12 -12.666 4.740 4.063 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.437 3.879 6.844 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.291 4.933 5.735 1.00 0.00 H new ATOM 0 HG SER A 12 -15.297 2.851 5.918 1.00 0.00 H new ATOM 190 N GLU A 13 -10.659 4.143 6.607 1.00 0.00 N ATOM 191 CA GLU A 13 -9.604 4.731 7.424 1.00 0.00 C ATOM 192 C GLU A 13 -8.339 4.950 6.613 1.00 0.00 C ATOM 193 O GLU A 13 -7.715 5.998 6.710 1.00 0.00 O ATOM 194 CB GLU A 13 -9.276 3.845 8.625 1.00 0.00 C ATOM 195 CG GLU A 13 -10.496 3.210 9.273 1.00 0.00 C ATOM 196 CD GLU A 13 -10.410 3.194 10.786 1.00 0.00 C ATOM 197 OE1 GLU A 13 -9.344 2.813 11.316 1.00 0.00 O ATOM 198 OE2 GLU A 13 -11.407 3.562 11.442 1.00 0.00 O ATOM 0 H GLU A 13 -10.801 3.143 6.753 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.976 5.693 7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.594 3.057 8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.749 4.441 9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.389 3.755 8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.607 2.189 8.908 1.00 0.00 H new ATOM 205 N ALA A 14 -7.958 3.954 5.823 1.00 0.00 N ATOM 206 CA ALA A 14 -6.754 4.050 5.009 1.00 0.00 C ATOM 207 C ALA A 14 -6.826 5.236 4.058 1.00 0.00 C ATOM 208 O ALA A 14 -5.838 5.937 3.850 1.00 0.00 O ATOM 209 CB ALA A 14 -6.539 2.763 4.235 1.00 0.00 C ATOM 0 H ALA A 14 -8.464 3.073 5.729 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.906 4.206 5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.636 2.848 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.432 1.932 4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.395 2.582 3.585 1.00 0.00 H new ATOM 215 N VAL A 15 -8.003 5.458 3.487 1.00 0.00 N ATOM 216 CA VAL A 15 -8.201 6.564 2.559 1.00 0.00 C ATOM 217 C VAL A 15 -7.991 7.902 3.265 1.00 0.00 C ATOM 218 O VAL A 15 -7.271 8.769 2.768 1.00 0.00 O ATOM 219 CB VAL A 15 -9.610 6.509 1.922 1.00 0.00 C ATOM 220 CG1 VAL A 15 -10.101 7.897 1.523 1.00 0.00 C ATOM 221 CG2 VAL A 15 -9.610 5.578 0.718 1.00 0.00 C ATOM 0 H VAL A 15 -8.833 4.888 3.650 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.463 6.470 1.763 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.298 6.119 2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.093 7.818 1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.148 8.534 2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.413 8.332 0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.608 5.549 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.899 5.942 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.323 4.575 1.034 1.00 0.00 H new ATOM 231 N ARG A 16 -8.613 8.060 4.427 1.00 0.00 N ATOM 232 CA ARG A 16 -8.480 9.291 5.200 1.00 0.00 C ATOM 233 C ARG A 16 -7.150 9.318 5.942 1.00 0.00 C ATOM 234 O ARG A 16 -6.617 10.380 6.263 1.00 0.00 O ATOM 235 CB ARG A 16 -9.638 9.430 6.190 1.00 0.00 C ATOM 236 CG ARG A 16 -9.654 8.351 7.261 1.00 0.00 C ATOM 237 CD ARG A 16 -10.776 8.575 8.263 1.00 0.00 C ATOM 238 NE ARG A 16 -12.092 8.334 7.677 1.00 0.00 N ATOM 239 CZ ARG A 16 -12.809 9.261 7.043 1.00 0.00 C ATOM 240 NH1 ARG A 16 -12.340 10.495 6.904 1.00 0.00 N ATOM 241 NH2 ARG A 16 -13.997 8.951 6.546 1.00 0.00 N ATOM 0 H ARG A 16 -9.213 7.354 4.855 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.509 10.132 4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.579 10.407 6.670 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.580 9.400 5.642 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.773 7.374 6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.697 8.340 7.782 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.634 7.915 9.119 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.728 9.597 8.638 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.487 7.397 7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.425 10.739 7.284 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.894 11.199 6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.362 8.004 6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.547 9.659 6.060 1.00 0.00 H new ATOM 255 N ARG A 17 -6.622 8.133 6.199 1.00 0.00 N ATOM 256 CA ARG A 17 -5.352 7.981 6.893 1.00 0.00 C ATOM 257 C ARG A 17 -4.203 8.335 5.958 1.00 0.00 C ATOM 258 O ARG A 17 -3.208 8.927 6.374 1.00 0.00 O ATOM 259 CB ARG A 17 -5.202 6.546 7.421 1.00 0.00 C ATOM 260 CG ARG A 17 -3.827 6.244 7.995 1.00 0.00 C ATOM 261 CD ARG A 17 -3.874 5.080 8.972 1.00 0.00 C ATOM 262 NE ARG A 17 -2.965 5.276 10.099 1.00 0.00 N ATOM 263 CZ ARG A 17 -3.016 4.568 11.225 1.00 0.00 C ATOM 264 NH1 ARG A 17 -3.928 3.615 11.377 1.00 0.00 N ATOM 265 NH2 ARG A 17 -2.152 4.811 12.201 1.00 0.00 N ATOM 0 H ARG A 17 -7.060 7.251 5.934 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.328 8.661 7.744 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.953 6.372 8.191 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.409 5.847 6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.136 6.012 7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.440 7.129 8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.892 4.959 9.343 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.613 4.159 8.451 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.249 5.998 10.018 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.594 3.422 10.629 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.963 3.075 12.242 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.448 5.541 12.089 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.191 4.268 13.064 1.00 0.00 H new ATOM 279 N LEU A 18 -4.357 7.985 4.683 1.00 0.00 N ATOM 280 CA LEU A 18 -3.341 8.288 3.687 1.00 0.00 C ATOM 281 C LEU A 18 -3.286 9.780 3.431 1.00 0.00 C ATOM 282 O LEU A 18 -2.221 10.359 3.239 1.00 0.00 O ATOM 283 CB LEU A 18 -3.616 7.559 2.379 1.00 0.00 C ATOM 284 CG LEU A 18 -2.406 6.831 1.802 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.136 7.655 1.987 1.00 0.00 C ATOM 286 CD2 LEU A 18 -2.247 5.468 2.452 1.00 0.00 C ATOM 0 H LEU A 18 -5.173 7.493 4.320 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.382 7.949 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.417 6.838 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.977 8.278 1.644 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.572 6.693 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.287 7.115 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.245 8.612 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.966 7.828 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.379 4.962 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.107 5.591 3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.140 4.871 2.268 1.00 0.00 H new ATOM 298 N GLN A 19 -4.453 10.386 3.426 1.00 0.00 N ATOM 299 CA GLN A 19 -4.580 11.818 3.189 1.00 0.00 C ATOM 300 C GLN A 19 -4.415 12.621 4.482 1.00 0.00 C ATOM 301 O GLN A 19 -4.436 13.851 4.460 1.00 0.00 O ATOM 302 CB GLN A 19 -5.939 12.126 2.557 1.00 0.00 C ATOM 303 CG GLN A 19 -5.941 12.029 1.041 1.00 0.00 C ATOM 304 CD GLN A 19 -7.333 12.152 0.453 1.00 0.00 C ATOM 305 OE1 GLN A 19 -8.301 11.631 1.006 1.00 0.00 O ATOM 306 NE2 GLN A 19 -7.439 12.843 -0.677 1.00 0.00 N ATOM 0 H GLN A 19 -5.340 9.908 3.585 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.783 12.113 2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.681 11.436 2.958 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.247 13.130 2.849 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.306 12.813 0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.506 11.076 0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.609 13.258 -1.101 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.350 12.958 -1.121 1.00 0.00 H new ATOM 315 N ALA A 20 -4.264 11.922 5.606 1.00 0.00 N ATOM 316 CA ALA A 20 -4.109 12.582 6.900 1.00 0.00 C ATOM 317 C ALA A 20 -2.644 12.745 7.290 1.00 0.00 C ATOM 318 O ALA A 20 -1.785 11.981 6.853 1.00 0.00 O ATOM 319 CB ALA A 20 -4.838 11.796 7.975 1.00 0.00 C ATOM 0 H ALA A 20 -4.246 10.903 5.646 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.542 13.578 6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.717 12.296 8.936 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.898 11.738 7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.423 10.790 8.034 1.00 0.00 H new ATOM 325 N GLU A 21 -2.373 13.738 8.137 1.00 0.00 N ATOM 326 CA GLU A 21 -1.017 14.003 8.619 1.00 0.00 C ATOM 327 C GLU A 21 -0.162 14.685 7.580 1.00 0.00 C ATOM 328 O GLU A 21 -0.665 15.195 6.582 1.00 0.00 O ATOM 329 CB GLU A 21 -0.357 12.708 9.109 1.00 0.00 C ATOM 330 CG GLU A 21 -0.027 12.724 10.594 1.00 0.00 C ATOM 331 CD GLU A 21 0.919 13.847 10.973 1.00 0.00 C ATOM 332 OE1 GLU A 21 0.461 15.005 11.063 1.00 0.00 O ATOM 333 OE2 GLU A 21 2.119 13.567 11.178 1.00 0.00 O ATOM 0 H GLU A 21 -3.079 14.376 8.505 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.102 14.692 9.459 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.021 11.869 8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.559 12.538 8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.950 12.824 11.166 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.419 11.769 10.873 1.00 0.00 H new ATOM 340 N GLY A 22 1.141 14.679 7.813 1.00 0.00 N ATOM 341 CA GLY A 22 2.048 15.281 6.873 1.00 0.00 C ATOM 342 C GLY A 22 2.013 14.541 5.558 1.00 0.00 C ATOM 343 O GLY A 22 2.864 14.751 4.695 1.00 0.00 O ATOM 0 H GLY A 22 1.581 14.268 8.636 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.779 16.326 6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.060 15.270 7.277 1.00 0.00 H new ATOM 347 N ASN A 23 1.012 13.660 5.413 1.00 0.00 N ATOM 348 CA ASN A 23 0.860 12.868 4.182 1.00 0.00 C ATOM 349 C ASN A 23 1.230 13.680 2.946 1.00 0.00 C ATOM 350 O ASN A 23 0.496 14.579 2.532 1.00 0.00 O ATOM 351 CB ASN A 23 -0.568 12.335 4.046 1.00 0.00 C ATOM 352 CG ASN A 23 -1.590 13.420 3.752 1.00 0.00 C ATOM 353 OD1 ASN A 23 -2.090 13.531 2.635 1.00 0.00 O ATOM 354 ND2 ASN A 23 -1.909 14.225 4.753 1.00 0.00 N ATOM 0 H ASN A 23 0.303 13.479 6.123 1.00 0.00 H new ATOM 0 HA ASN A 23 1.546 12.024 4.256 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.597 11.593 3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.847 11.823 4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.592 14.969 4.611 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.472 14.101 5.666 1.00 0.00 H new ATOM 361 N ALA A 24 2.381 13.360 2.361 1.00 0.00 N ATOM 362 CA ALA A 24 2.847 14.066 1.178 1.00 0.00 C ATOM 363 C ALA A 24 3.128 13.105 0.033 1.00 0.00 C ATOM 364 O ALA A 24 4.282 12.853 -0.314 1.00 0.00 O ATOM 365 CB ALA A 24 4.081 14.894 1.500 1.00 0.00 C ATOM 0 H ALA A 24 3.003 12.620 2.687 1.00 0.00 H new ATOM 0 HA ALA A 24 2.052 14.740 0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.414 15.415 0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.838 15.623 2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.876 14.239 1.856 1.00 0.00 H new ATOM 371 N THR A 25 2.054 12.593 -0.557 1.00 0.00 N ATOM 372 CA THR A 25 2.132 11.669 -1.677 1.00 0.00 C ATOM 373 C THR A 25 3.084 10.507 -1.411 1.00 0.00 C ATOM 374 O THR A 25 4.019 10.612 -0.618 1.00 0.00 O ATOM 375 CB THR A 25 2.532 12.415 -2.950 1.00 0.00 C ATOM 376 OG1 THR A 25 3.899 12.799 -2.915 1.00 0.00 O ATOM 377 CG2 THR A 25 1.709 13.665 -3.174 1.00 0.00 C ATOM 0 H THR A 25 1.100 12.810 -0.268 1.00 0.00 H new ATOM 0 HA THR A 25 1.140 11.238 -1.810 1.00 0.00 H new ATOM 0 HB THR A 25 2.351 11.715 -3.766 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.253 12.665 -2.011 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.035 14.156 -4.091 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.656 13.397 -3.260 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.843 14.344 -2.332 1.00 0.00 H new ATOM 385 N GLY A 26 2.818 9.384 -2.069 1.00 0.00 N ATOM 386 CA GLY A 26 3.635 8.202 -1.884 1.00 0.00 C ATOM 387 C GLY A 26 3.299 7.478 -0.601 1.00 0.00 C ATOM 388 O GLY A 26 3.476 6.265 -0.509 1.00 0.00 O ATOM 0 H GLY A 26 2.048 9.272 -2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.494 7.528 -2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.687 8.486 -1.875 1.00 0.00 H new ATOM 392 N ALA A 27 2.793 8.221 0.386 1.00 0.00 N ATOM 393 CA ALA A 27 2.405 7.643 1.664 1.00 0.00 C ATOM 394 C ALA A 27 1.641 6.340 1.423 1.00 0.00 C ATOM 395 O ALA A 27 0.670 6.317 0.678 1.00 0.00 O ATOM 396 CB ALA A 27 1.574 8.660 2.442 1.00 0.00 C ATOM 0 H ALA A 27 2.644 9.228 0.319 1.00 0.00 H new ATOM 0 HA ALA A 27 3.286 7.403 2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.280 8.233 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.166 9.560 2.612 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.682 8.915 1.870 1.00 0.00 H new ATOM 402 N PHE A 28 2.124 5.246 1.997 1.00 0.00 N ATOM 403 CA PHE A 28 1.517 3.942 1.777 1.00 0.00 C ATOM 404 C PHE A 28 1.340 3.165 3.073 1.00 0.00 C ATOM 405 O PHE A 28 1.947 3.477 4.096 1.00 0.00 O ATOM 406 CB PHE A 28 2.388 3.155 0.802 1.00 0.00 C ATOM 407 CG PHE A 28 3.859 3.118 1.159 1.00 0.00 C ATOM 408 CD1 PHE A 28 4.602 4.281 1.278 1.00 0.00 C ATOM 409 CD2 PHE A 28 4.500 1.908 1.363 1.00 0.00 C ATOM 410 CE1 PHE A 28 5.943 4.237 1.596 1.00 0.00 C ATOM 411 CE2 PHE A 28 5.843 1.858 1.681 1.00 0.00 C ATOM 412 CZ PHE A 28 6.565 3.025 1.799 1.00 0.00 C ATOM 0 H PHE A 28 2.933 5.237 2.618 1.00 0.00 H new ATOM 0 HA PHE A 28 0.521 4.091 1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.015 2.132 0.747 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.280 3.588 -0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.124 5.236 1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.941 0.988 1.272 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.506 5.154 1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.327 0.905 1.837 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.615 2.990 2.050 1.00 0.00 H new ATOM 422 N LEU A 29 0.491 2.151 3.001 1.00 0.00 N ATOM 423 CA LEU A 29 0.185 1.293 4.138 1.00 0.00 C ATOM 424 C LEU A 29 -0.314 -0.066 3.665 1.00 0.00 C ATOM 425 O LEU A 29 -1.054 -0.154 2.689 1.00 0.00 O ATOM 426 CB LEU A 29 -0.872 1.947 5.029 1.00 0.00 C ATOM 427 CG LEU A 29 -2.068 2.622 4.316 1.00 0.00 C ATOM 428 CD1 LEU A 29 -2.122 2.314 2.828 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.362 2.188 4.966 1.00 0.00 C ATOM 0 H LEU A 29 -0.008 1.898 2.148 1.00 0.00 H new ATOM 0 HA LEU A 29 1.100 1.152 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.265 1.186 5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.378 2.697 5.647 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.930 3.698 4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.982 2.815 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.209 2.668 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.214 1.238 2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.201 2.666 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.462 1.105 4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.357 2.480 6.016 1.00 0.00 H new ATOM 441 N ILE A 30 0.056 -1.128 4.355 1.00 0.00 N ATOM 442 CA ILE A 30 -0.406 -2.448 3.947 1.00 0.00 C ATOM 443 C ILE A 30 -1.389 -3.021 4.953 1.00 0.00 C ATOM 444 O ILE A 30 -1.045 -3.261 6.108 1.00 0.00 O ATOM 445 CB ILE A 30 0.744 -3.450 3.747 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.040 -2.744 3.316 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.324 -4.507 2.737 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.084 -2.333 1.859 1.00 0.00 C ATOM 0 H ILE A 30 0.658 -1.110 5.178 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.900 -2.303 2.986 1.00 0.00 H new ATOM 0 HB ILE A 30 0.955 -3.936 4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.177 -1.856 3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.882 -3.406 3.518 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.138 -5.218 2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.557 -5.033 3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.089 -4.029 1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.035 -1.843 1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.983 -3.216 1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.266 -1.643 1.651 1.00 0.00 H new ATOM 460 N ARG A 31 -2.616 -3.240 4.507 1.00 0.00 N ATOM 461 CA ARG A 31 -3.655 -3.784 5.367 1.00 0.00 C ATOM 462 C ARG A 31 -4.083 -5.160 4.889 1.00 0.00 C ATOM 463 O ARG A 31 -3.578 -5.663 3.887 1.00 0.00 O ATOM 464 CB ARG A 31 -4.866 -2.854 5.385 1.00 0.00 C ATOM 465 CG ARG A 31 -5.576 -2.771 4.048 1.00 0.00 C ATOM 466 CD ARG A 31 -6.289 -1.439 3.866 1.00 0.00 C ATOM 467 NE ARG A 31 -7.732 -1.606 3.699 1.00 0.00 N ATOM 468 CZ ARG A 31 -8.366 -1.523 2.530 1.00 0.00 C ATOM 469 NH1 ARG A 31 -7.693 -1.286 1.409 1.00 0.00 N ATOM 470 NH2 ARG A 31 -9.681 -1.683 2.481 1.00 0.00 N ATOM 0 H ARG A 31 -2.917 -3.049 3.551 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.249 -3.871 6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.570 -3.200 6.142 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.545 -1.855 5.681 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.853 -2.909 3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.299 -3.583 3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.096 -0.804 4.730 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.881 -0.926 2.995 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.289 -1.798 4.531 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.681 -1.166 1.438 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.189 -1.225 0.520 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.204 -1.869 3.337 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.169 -1.620 1.588 1.00 0.00 H new ATOM 484 N VAL A 32 -5.026 -5.766 5.600 1.00 0.00 N ATOM 485 CA VAL A 32 -5.510 -7.082 5.222 1.00 0.00 C ATOM 486 C VAL A 32 -6.647 -6.981 4.218 1.00 0.00 C ATOM 487 O VAL A 32 -7.488 -6.085 4.295 1.00 0.00 O ATOM 488 CB VAL A 32 -5.974 -7.893 6.445 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.811 -8.145 7.391 1.00 0.00 C ATOM 490 CG2 VAL A 32 -7.109 -7.176 7.163 1.00 0.00 C ATOM 0 H VAL A 32 -5.465 -5.371 6.432 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.672 -7.604 4.760 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.346 -8.857 6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.158 -8.720 8.250 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.033 -8.704 6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.406 -7.192 7.732 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.424 -7.765 8.025 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.767 -6.197 7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.950 -7.053 6.481 1.00 0.00 H new ATOM 500 N SER A 33 -6.653 -7.906 3.270 1.00 0.00 N ATOM 501 CA SER A 33 -7.666 -7.942 2.227 1.00 0.00 C ATOM 502 C SER A 33 -9.077 -7.934 2.804 1.00 0.00 C ATOM 503 O SER A 33 -9.607 -8.980 3.182 1.00 0.00 O ATOM 504 CB SER A 33 -7.478 -9.185 1.362 1.00 0.00 C ATOM 505 OG SER A 33 -7.067 -10.293 2.145 1.00 0.00 O ATOM 0 H SER A 33 -5.958 -8.650 3.202 1.00 0.00 H new ATOM 0 HA SER A 33 -7.545 -7.044 1.622 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.412 -9.422 0.852 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.735 -8.986 0.590 1.00 0.00 H new ATOM 0 HG SER A 33 -6.097 -10.256 2.280 1.00 0.00 H new ATOM 511 N GLU A 34 -9.692 -6.758 2.845 1.00 0.00 N ATOM 512 CA GLU A 34 -11.053 -6.635 3.351 1.00 0.00 C ATOM 513 C GLU A 34 -12.028 -7.324 2.401 1.00 0.00 C ATOM 514 O GLU A 34 -13.164 -7.628 2.766 1.00 0.00 O ATOM 515 CB GLU A 34 -11.434 -5.163 3.519 1.00 0.00 C ATOM 516 CG GLU A 34 -10.597 -4.431 4.557 1.00 0.00 C ATOM 517 CD GLU A 34 -11.427 -3.519 5.438 1.00 0.00 C ATOM 518 OE1 GLU A 34 -12.252 -2.756 4.892 1.00 0.00 O ATOM 519 OE2 GLU A 34 -11.252 -3.566 6.674 1.00 0.00 O ATOM 0 H GLU A 34 -9.273 -5.881 2.536 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.105 -7.118 4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.330 -4.658 2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.485 -5.098 3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.080 -5.160 5.181 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.831 -3.843 4.052 1.00 0.00 H new ATOM 526 N LYS A 35 -11.561 -7.570 1.184 1.00 0.00 N ATOM 527 CA LYS A 35 -12.365 -8.229 0.159 1.00 0.00 C ATOM 528 C LYS A 35 -11.699 -9.525 -0.312 1.00 0.00 C ATOM 529 O LYS A 35 -12.294 -10.598 -0.221 1.00 0.00 O ATOM 530 CB LYS A 35 -12.605 -7.296 -1.039 1.00 0.00 C ATOM 531 CG LYS A 35 -12.071 -5.884 -0.847 1.00 0.00 C ATOM 532 CD LYS A 35 -12.000 -5.132 -2.166 1.00 0.00 C ATOM 533 CE LYS A 35 -13.386 -4.822 -2.707 1.00 0.00 C ATOM 534 NZ LYS A 35 -13.341 -4.372 -4.126 1.00 0.00 N ATOM 0 H LYS A 35 -10.620 -7.321 0.879 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.328 -8.475 0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.139 -7.731 -1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.676 -7.244 -1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.713 -5.342 -0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.079 -5.927 -0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.447 -4.203 -2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.448 -5.726 -2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.014 -5.710 -2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.850 -4.048 -2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.306 -4.171 -4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.763 -3.510 -4.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.922 -5.120 -4.714 1.00 0.00 H new ATOM 548 N PRO A 36 -10.449 -9.452 -0.822 1.00 0.00 N ATOM 549 CA PRO A 36 -9.725 -10.637 -1.299 1.00 0.00 C ATOM 550 C PRO A 36 -9.698 -11.754 -0.258 1.00 0.00 C ATOM 551 O PRO A 36 -10.193 -11.585 0.857 1.00 0.00 O ATOM 552 CB PRO A 36 -8.314 -10.106 -1.577 1.00 0.00 C ATOM 553 CG PRO A 36 -8.514 -8.659 -1.862 1.00 0.00 C ATOM 554 CD PRO A 36 -9.645 -8.222 -0.975 1.00 0.00 C ATOM 0 HA PRO A 36 -10.197 -11.084 -2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.657 -10.255 -0.720 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.856 -10.618 -2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.609 -8.090 -1.651 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.755 -8.497 -2.913 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.284 -7.855 -0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -10.223 -7.417 -1.427 1.00 0.00 H new ATOM 562 N SER A 37 -9.136 -12.901 -0.631 1.00 0.00 N ATOM 563 CA SER A 37 -9.068 -14.049 0.271 1.00 0.00 C ATOM 564 C SER A 37 -7.945 -13.899 1.301 1.00 0.00 C ATOM 565 O SER A 37 -8.148 -13.308 2.363 1.00 0.00 O ATOM 566 CB SER A 37 -8.889 -15.342 -0.532 1.00 0.00 C ATOM 567 OG SER A 37 -8.029 -15.138 -1.641 1.00 0.00 O ATOM 0 H SER A 37 -8.722 -13.061 -1.549 1.00 0.00 H new ATOM 0 HA SER A 37 -10.009 -14.096 0.819 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.479 -16.120 0.112 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.860 -15.695 -0.880 1.00 0.00 H new ATOM 0 HG SER A 37 -7.929 -15.978 -2.136 1.00 0.00 H new ATOM 573 N ALA A 38 -6.767 -14.440 0.994 1.00 0.00 N ATOM 574 CA ALA A 38 -5.629 -14.366 1.906 1.00 0.00 C ATOM 575 C ALA A 38 -4.521 -13.495 1.329 1.00 0.00 C ATOM 576 O ALA A 38 -3.405 -13.959 1.097 1.00 0.00 O ATOM 577 CB ALA A 38 -5.106 -15.762 2.208 1.00 0.00 C ATOM 0 H ALA A 38 -6.577 -14.933 0.122 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.966 -13.908 2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.258 -15.693 2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.896 -16.354 2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.789 -16.240 1.281 1.00 0.00 H new ATOM 583 N ASP A 39 -4.844 -12.230 1.096 1.00 0.00 N ATOM 584 CA ASP A 39 -3.885 -11.284 0.541 1.00 0.00 C ATOM 585 C ASP A 39 -3.797 -10.027 1.404 1.00 0.00 C ATOM 586 O ASP A 39 -4.348 -9.980 2.504 1.00 0.00 O ATOM 587 CB ASP A 39 -4.299 -10.911 -0.883 1.00 0.00 C ATOM 588 CG ASP A 39 -4.559 -12.129 -1.748 1.00 0.00 C ATOM 589 OD1 ASP A 39 -3.578 -12.790 -2.153 1.00 0.00 O ATOM 590 OD2 ASP A 39 -5.741 -12.423 -2.021 1.00 0.00 O ATOM 0 H ASP A 39 -5.765 -11.834 1.283 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.902 -11.755 0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.198 -10.296 -0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.516 -10.305 -1.339 1.00 0.00 H new ATOM 595 N TYR A 40 -3.125 -9.002 0.887 1.00 0.00 N ATOM 596 CA TYR A 40 -2.992 -7.736 1.594 1.00 0.00 C ATOM 597 C TYR A 40 -3.253 -6.616 0.631 1.00 0.00 C ATOM 598 O TYR A 40 -2.834 -6.673 -0.517 1.00 0.00 O ATOM 599 CB TYR A 40 -1.602 -7.570 2.233 1.00 0.00 C ATOM 600 CG TYR A 40 -1.602 -7.823 3.726 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.914 -9.076 4.232 1.00 0.00 C ATOM 602 CD2 TYR A 40 -1.292 -6.811 4.627 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.915 -9.318 5.593 1.00 0.00 C ATOM 604 CE2 TYR A 40 -1.291 -7.043 5.989 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.602 -8.299 6.466 1.00 0.00 C ATOM 606 OH TYR A 40 -1.599 -8.534 7.822 1.00 0.00 O ATOM 0 H TYR A 40 -2.663 -9.026 -0.022 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.719 -7.719 2.406 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.904 -8.256 1.754 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.239 -6.560 2.041 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.161 -9.877 3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.048 -5.827 4.256 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.160 -10.300 5.970 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -1.048 -6.246 6.676 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.356 -7.711 8.296 1.00 0.00 H new ATOM 616 N VAL A 41 -3.955 -5.607 1.088 1.00 0.00 N ATOM 617 CA VAL A 41 -4.268 -4.485 0.228 1.00 0.00 C ATOM 618 C VAL A 41 -3.474 -3.262 0.633 1.00 0.00 C ATOM 619 O VAL A 41 -3.447 -2.874 1.799 1.00 0.00 O ATOM 620 CB VAL A 41 -5.773 -4.178 0.219 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.474 -5.111 -0.758 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.361 -4.322 1.615 1.00 0.00 C ATOM 0 H VAL A 41 -4.318 -5.537 2.039 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.984 -4.762 -0.787 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.924 -3.147 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.542 -4.894 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.067 -4.963 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.316 -6.145 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.428 -4.100 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.212 -5.342 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.865 -3.627 2.292 1.00 0.00 H new ATOM 632 N LEU A 42 -2.804 -2.672 -0.340 1.00 0.00 N ATOM 633 CA LEU A 42 -1.983 -1.509 -0.094 1.00 0.00 C ATOM 634 C LEU A 42 -2.632 -0.272 -0.661 1.00 0.00 C ATOM 635 O LEU A 42 -3.188 -0.301 -1.751 1.00 0.00 O ATOM 636 CB LEU A 42 -0.609 -1.687 -0.726 1.00 0.00 C ATOM 637 CG LEU A 42 0.287 -0.450 -0.695 1.00 0.00 C ATOM 638 CD1 LEU A 42 0.534 -0.018 0.731 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.598 -0.747 -1.395 1.00 0.00 C ATOM 0 H LEU A 42 -2.815 -2.984 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.875 -1.395 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.095 -2.501 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.741 -1.994 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.214 0.365 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.174 0.864 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.416 0.219 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.023 -0.825 1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.233 0.139 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.103 -1.570 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.403 -1.024 -2.431 1.00 0.00 H new ATOM 651 N SER A 43 -2.533 0.821 0.061 1.00 0.00 N ATOM 652 CA SER A 43 -3.092 2.065 -0.412 1.00 0.00 C ATOM 653 C SER A 43 -2.075 3.167 -0.340 1.00 0.00 C ATOM 654 O SER A 43 -1.107 3.098 0.411 1.00 0.00 O ATOM 655 CB SER A 43 -4.374 2.430 0.323 1.00 0.00 C ATOM 656 OG SER A 43 -4.318 3.732 0.880 1.00 0.00 O ATOM 0 H SER A 43 -2.074 0.874 0.971 1.00 0.00 H new ATOM 0 HA SER A 43 -3.363 1.928 -1.459 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.216 2.367 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.556 1.705 1.116 1.00 0.00 H new ATOM 0 HG SER A 43 -5.087 3.868 1.472 1.00 0.00 H new ATOM 662 N VAL A 44 -2.283 4.165 -1.162 1.00 0.00 N ATOM 663 CA VAL A 44 -1.360 5.279 -1.222 1.00 0.00 C ATOM 664 C VAL A 44 -2.058 6.562 -1.632 1.00 0.00 C ATOM 665 O VAL A 44 -2.976 6.556 -2.452 1.00 0.00 O ATOM 666 CB VAL A 44 -0.216 4.978 -2.201 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.689 5.120 -3.633 1.00 0.00 C ATOM 668 CG2 VAL A 44 0.980 5.879 -1.935 1.00 0.00 C ATOM 0 H VAL A 44 -3.078 4.233 -1.797 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.953 5.417 -0.221 1.00 0.00 H new ATOM 0 HB VAL A 44 0.101 3.947 -2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.136 4.903 -4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.505 4.421 -3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.039 6.139 -3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.776 5.645 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.684 6.921 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.339 5.717 -0.918 1.00 0.00 H new ATOM 678 N ARG A 45 -1.594 7.659 -1.069 1.00 0.00 N ATOM 679 CA ARG A 45 -2.140 8.962 -1.379 1.00 0.00 C ATOM 680 C ARG A 45 -1.631 9.409 -2.732 1.00 0.00 C ATOM 681 O ARG A 45 -2.126 10.379 -3.306 1.00 0.00 O ATOM 682 CB ARG A 45 -1.738 9.979 -0.310 1.00 0.00 C ATOM 683 CG ARG A 45 -2.373 11.346 -0.498 1.00 0.00 C ATOM 684 CD ARG A 45 -1.419 12.460 -0.101 1.00 0.00 C ATOM 685 NE ARG A 45 -1.064 13.310 -1.235 1.00 0.00 N ATOM 686 CZ ARG A 45 -1.793 14.348 -1.642 1.00 0.00 C ATOM 687 NH1 ARG A 45 -2.930 14.651 -1.028 1.00 0.00 N ATOM 688 NH2 ARG A 45 -1.387 15.082 -2.668 1.00 0.00 N ATOM 0 H ARG A 45 -0.834 7.672 -0.389 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.228 8.896 -1.400 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.015 9.591 0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.653 10.088 -0.315 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.668 11.472 -1.540 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.281 11.412 0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.878 13.069 0.678 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.514 12.027 0.324 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.207 13.096 -1.745 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.250 14.088 -0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.484 15.447 -1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.516 14.852 -3.146 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.946 15.877 -2.979 1.00 0.00 H new ATOM 702 N ASP A 46 -0.626 8.694 -3.238 1.00 0.00 N ATOM 703 CA ASP A 46 -0.041 9.036 -4.534 1.00 0.00 C ATOM 704 C ASP A 46 0.170 10.548 -4.622 1.00 0.00 C ATOM 705 O ASP A 46 0.189 11.229 -3.601 1.00 0.00 O ATOM 706 CB ASP A 46 -0.953 8.560 -5.670 1.00 0.00 C ATOM 707 CG ASP A 46 -0.892 7.061 -5.862 1.00 0.00 C ATOM 708 OD1 ASP A 46 0.215 6.497 -5.769 1.00 0.00 O ATOM 709 OD2 ASP A 46 -1.952 6.448 -6.090 1.00 0.00 O ATOM 0 H ASP A 46 -0.205 7.886 -2.778 1.00 0.00 H new ATOM 0 HA ASP A 46 0.923 8.536 -4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.980 8.856 -5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.664 9.055 -6.597 1.00 0.00 H new ATOM 714 N THR A 47 0.309 11.078 -5.829 1.00 0.00 N ATOM 715 CA THR A 47 0.500 12.514 -5.993 1.00 0.00 C ATOM 716 C THR A 47 -0.764 13.289 -5.614 1.00 0.00 C ATOM 717 O THR A 47 -0.750 14.518 -5.559 1.00 0.00 O ATOM 718 CB THR A 47 0.903 12.840 -7.431 1.00 0.00 C ATOM 719 OG1 THR A 47 0.971 14.241 -7.629 1.00 0.00 O ATOM 720 CG2 THR A 47 -0.051 12.275 -8.462 1.00 0.00 C ATOM 0 H THR A 47 0.294 10.545 -6.699 1.00 0.00 H new ATOM 0 HA THR A 47 1.302 12.821 -5.321 1.00 0.00 H new ATOM 0 HB THR A 47 1.879 12.375 -7.570 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.399 14.692 -6.973 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.293 12.543 -9.461 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.086 11.190 -8.369 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.048 12.686 -8.299 1.00 0.00 H new ATOM 728 N GLN A 48 -1.855 12.567 -5.349 1.00 0.00 N ATOM 729 CA GLN A 48 -3.120 13.192 -4.971 1.00 0.00 C ATOM 730 C GLN A 48 -4.208 12.138 -4.782 1.00 0.00 C ATOM 731 O GLN A 48 -4.310 11.191 -5.563 1.00 0.00 O ATOM 732 CB GLN A 48 -3.554 14.209 -6.030 1.00 0.00 C ATOM 733 CG GLN A 48 -3.228 15.646 -5.658 1.00 0.00 C ATOM 734 CD GLN A 48 -4.456 16.437 -5.253 1.00 0.00 C ATOM 735 OE1 GLN A 48 -4.863 16.422 -4.092 1.00 0.00 O ATOM 736 NE2 GLN A 48 -5.054 17.134 -6.212 1.00 0.00 N ATOM 0 H GLN A 48 -1.886 11.548 -5.390 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.971 13.712 -4.025 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.068 13.967 -6.975 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.628 14.118 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.510 15.651 -4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.748 16.136 -6.505 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.682 17.118 -7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.885 17.686 -5.999 1.00 0.00 H new ATOM 745 N ALA A 49 -5.016 12.306 -3.739 1.00 0.00 N ATOM 746 CA ALA A 49 -6.093 11.366 -3.447 1.00 0.00 C ATOM 747 C ALA A 49 -5.539 9.971 -3.179 1.00 0.00 C ATOM 748 O ALA A 49 -4.459 9.624 -3.655 1.00 0.00 O ATOM 749 CB ALA A 49 -7.090 11.330 -4.597 1.00 0.00 C ATOM 0 H ALA A 49 -4.945 13.084 -3.083 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.608 11.705 -2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.888 10.624 -4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.515 12.323 -4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.582 11.016 -5.509 1.00 0.00 H new ATOM 755 N VAL A 50 -6.279 9.171 -2.415 1.00 0.00 N ATOM 756 CA VAL A 50 -5.841 7.819 -2.095 1.00 0.00 C ATOM 757 C VAL A 50 -6.206 6.837 -3.198 1.00 0.00 C ATOM 758 O VAL A 50 -7.181 7.026 -3.928 1.00 0.00 O ATOM 759 CB VAL A 50 -6.439 7.307 -0.767 1.00 0.00 C ATOM 760 CG1 VAL A 50 -5.998 5.872 -0.493 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.042 8.217 0.383 1.00 0.00 C ATOM 0 H VAL A 50 -7.177 9.434 -2.010 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.757 7.876 -1.996 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.525 7.318 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.431 5.532 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.337 5.226 -1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.911 5.832 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.473 7.840 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.956 8.240 0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.412 9.225 0.194 1.00 0.00 H new ATOM 771 N ARG A 51 -5.418 5.780 -3.290 1.00 0.00 N ATOM 772 CA ARG A 51 -5.630 4.731 -4.271 1.00 0.00 C ATOM 773 C ARG A 51 -5.233 3.399 -3.659 1.00 0.00 C ATOM 774 O ARG A 51 -4.076 3.200 -3.287 1.00 0.00 O ATOM 775 CB ARG A 51 -4.814 5.000 -5.536 1.00 0.00 C ATOM 776 CG ARG A 51 -4.799 6.461 -5.952 1.00 0.00 C ATOM 777 CD ARG A 51 -4.227 6.633 -7.348 1.00 0.00 C ATOM 778 NE ARG A 51 -5.271 6.651 -8.371 1.00 0.00 N ATOM 779 CZ ARG A 51 -5.051 6.408 -9.662 1.00 0.00 C ATOM 780 NH1 ARG A 51 -3.825 6.134 -10.093 1.00 0.00 N ATOM 781 NH2 ARG A 51 -6.058 6.440 -10.523 1.00 0.00 N ATOM 0 H ARG A 51 -4.612 5.625 -2.685 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.683 4.707 -4.552 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.789 4.667 -5.375 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.219 4.403 -6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.813 6.860 -5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.207 7.037 -5.241 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.658 7.562 -7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.530 5.821 -7.556 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.225 6.862 -8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.047 6.109 -9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.662 5.949 -11.083 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.001 6.651 -10.197 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.890 6.254 -11.512 1.00 0.00 H new ATOM 795 N HIS A 52 -6.193 2.498 -3.526 1.00 0.00 N ATOM 796 CA HIS A 52 -5.921 1.204 -2.920 1.00 0.00 C ATOM 797 C HIS A 52 -5.365 0.223 -3.942 1.00 0.00 C ATOM 798 O HIS A 52 -5.404 0.478 -5.145 1.00 0.00 O ATOM 799 CB HIS A 52 -7.194 0.632 -2.297 1.00 0.00 C ATOM 800 CG HIS A 52 -7.619 1.362 -1.072 1.00 0.00 C ATOM 801 ND1 HIS A 52 -6.922 1.294 0.106 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.645 2.218 -0.856 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.487 2.081 0.995 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.540 2.653 0.442 1.00 0.00 N ATOM 0 H HIS A 52 -7.158 2.636 -3.826 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.172 1.352 -2.142 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.999 0.666 -3.031 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -7.032 -0.417 -2.050 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.093 0.722 0.268 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.403 2.505 -1.570 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.146 2.234 2.008 1.00 0.00 H new ATOM 813 N TYR A 53 -4.842 -0.897 -3.452 1.00 0.00 N ATOM 814 CA TYR A 53 -4.262 -1.911 -4.321 1.00 0.00 C ATOM 815 C TYR A 53 -4.282 -3.288 -3.666 1.00 0.00 C ATOM 816 O TYR A 53 -3.913 -3.437 -2.504 1.00 0.00 O ATOM 817 CB TYR A 53 -2.815 -1.548 -4.663 1.00 0.00 C ATOM 818 CG TYR A 53 -2.588 -0.081 -4.955 1.00 0.00 C ATOM 819 CD1 TYR A 53 -2.957 0.464 -6.177 1.00 0.00 C ATOM 820 CD2 TYR A 53 -1.985 0.755 -4.020 1.00 0.00 C ATOM 821 CE1 TYR A 53 -2.736 1.797 -6.463 1.00 0.00 C ATOM 822 CE2 TYR A 53 -1.756 2.088 -4.301 1.00 0.00 C ATOM 823 CZ TYR A 53 -2.133 2.604 -5.523 1.00 0.00 C ATOM 824 OH TYR A 53 -1.899 3.928 -5.811 1.00 0.00 O ATOM 0 H TYR A 53 -4.809 -1.124 -2.458 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.865 -1.946 -5.228 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.174 -1.844 -3.833 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.503 -2.130 -5.530 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.426 -0.166 -6.918 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.692 0.356 -3.060 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.034 2.204 -7.418 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.284 2.724 -3.567 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.343 4.163 -6.652 1.00 0.00 H new ATOM 834 N LYS A 54 -4.689 -4.294 -4.430 1.00 0.00 N ATOM 835 CA LYS A 54 -4.725 -5.664 -3.937 1.00 0.00 C ATOM 836 C LYS A 54 -3.355 -6.311 -4.097 1.00 0.00 C ATOM 837 O LYS A 54 -2.892 -6.532 -5.215 1.00 0.00 O ATOM 838 CB LYS A 54 -5.771 -6.480 -4.698 1.00 0.00 C ATOM 839 CG LYS A 54 -6.262 -7.700 -3.937 1.00 0.00 C ATOM 840 CD LYS A 54 -5.832 -8.993 -4.611 1.00 0.00 C ATOM 841 CE LYS A 54 -6.625 -9.250 -5.885 1.00 0.00 C ATOM 842 NZ LYS A 54 -5.741 -9.383 -7.077 1.00 0.00 N ATOM 0 H LYS A 54 -4.999 -4.186 -5.396 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.994 -5.644 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.622 -5.839 -4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.347 -6.802 -5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.874 -7.674 -2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.349 -7.671 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.769 -8.945 -4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.969 -9.826 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.214 -10.159 -5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.328 -8.433 -6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.322 -9.557 -7.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.197 -8.506 -7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.086 -10.179 -6.937 1.00 0.00 H new ATOM 856 N ILE A 55 -2.718 -6.621 -2.977 1.00 0.00 N ATOM 857 CA ILE A 55 -1.405 -7.252 -2.984 1.00 0.00 C ATOM 858 C ILE A 55 -1.582 -8.754 -2.826 1.00 0.00 C ATOM 859 O ILE A 55 -1.824 -9.245 -1.725 1.00 0.00 O ATOM 860 CB ILE A 55 -0.512 -6.718 -1.843 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.816 -5.248 -1.529 1.00 0.00 C ATOM 862 CG2 ILE A 55 0.963 -6.887 -2.169 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.479 -4.872 -0.107 1.00 0.00 C ATOM 0 H ILE A 55 -3.092 -6.444 -2.045 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.915 -7.019 -3.929 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.741 -7.311 -0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.253 -4.611 -2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.873 -5.053 -1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.564 -6.501 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.184 -7.944 -2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.200 -6.337 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.715 -3.821 0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.062 -5.486 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.584 -5.037 0.071 1.00 0.00 H new ATOM 875 N TRP A 56 -1.495 -9.470 -3.936 1.00 0.00 N ATOM 876 CA TRP A 56 -1.690 -10.914 -3.932 1.00 0.00 C ATOM 877 C TRP A 56 -0.413 -11.657 -3.572 1.00 0.00 C ATOM 878 O TRP A 56 0.688 -11.244 -3.935 1.00 0.00 O ATOM 879 CB TRP A 56 -2.201 -11.369 -5.300 1.00 0.00 C ATOM 880 CG TRP A 56 -2.688 -12.785 -5.315 1.00 0.00 C ATOM 881 CD1 TRP A 56 -1.924 -13.916 -5.312 1.00 0.00 C ATOM 882 CD2 TRP A 56 -4.052 -13.220 -5.339 1.00 0.00 C ATOM 883 NE1 TRP A 56 -2.731 -15.028 -5.330 1.00 0.00 N ATOM 884 CE2 TRP A 56 -4.042 -14.627 -5.348 1.00 0.00 C ATOM 885 CE3 TRP A 56 -5.283 -12.555 -5.353 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -5.213 -15.381 -5.369 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -6.444 -13.304 -5.375 1.00 0.00 C ATOM 888 CH2 TRP A 56 -6.402 -14.705 -5.383 1.00 0.00 C ATOM 0 H TRP A 56 -1.290 -9.075 -4.854 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.430 -11.151 -3.168 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.012 -10.711 -5.613 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.401 -11.260 -6.032 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -0.844 -13.934 -5.298 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -2.407 -15.995 -5.330 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.325 -11.476 -5.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.183 -16.461 -5.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.400 -12.801 -5.386 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -7.327 -15.262 -5.401 1.00 0.00 H new ATOM 899 N ARG A 57 -0.575 -12.761 -2.848 1.00 0.00 N ATOM 900 CA ARG A 57 0.554 -13.574 -2.427 1.00 0.00 C ATOM 901 C ARG A 57 0.805 -14.711 -3.411 1.00 0.00 C ATOM 902 O ARG A 57 -0.119 -15.418 -3.809 1.00 0.00 O ATOM 903 CB ARG A 57 0.311 -14.138 -1.026 1.00 0.00 C ATOM 904 CG ARG A 57 1.464 -14.977 -0.499 1.00 0.00 C ATOM 905 CD ARG A 57 1.273 -15.332 0.967 1.00 0.00 C ATOM 906 NE ARG A 57 2.053 -14.464 1.847 1.00 0.00 N ATOM 907 CZ ARG A 57 1.587 -13.340 2.391 1.00 0.00 C ATOM 908 NH1 ARG A 57 0.344 -12.939 2.155 1.00 0.00 N ATOM 909 NH2 ARG A 57 2.371 -12.613 3.176 1.00 0.00 N ATOM 0 H ARG A 57 -1.483 -13.111 -2.541 1.00 0.00 H new ATOM 0 HA ARG A 57 1.438 -12.937 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.129 -13.313 -0.338 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.593 -14.746 -1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.549 -15.891 -1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.399 -14.430 -0.623 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.217 -15.254 1.224 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.565 -16.370 1.130 1.00 0.00 H new ATOM 0 HE ARG A 57 3.013 -14.735 2.058 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.265 -13.493 1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.003 -12.077 2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.328 -12.915 3.362 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.017 -11.752 3.594 1.00 0.00 H new ATOM 923 N ARG A 58 2.065 -14.877 -3.799 1.00 0.00 N ATOM 924 CA ARG A 58 2.448 -15.924 -4.737 1.00 0.00 C ATOM 925 C ARG A 58 2.033 -17.300 -4.226 1.00 0.00 C ATOM 926 O ARG A 58 0.920 -17.760 -4.482 1.00 0.00 O ATOM 927 CB ARG A 58 3.956 -15.872 -4.987 1.00 0.00 C ATOM 928 CG ARG A 58 4.344 -15.040 -6.201 1.00 0.00 C ATOM 929 CD ARG A 58 4.468 -15.898 -7.450 1.00 0.00 C ATOM 930 NE ARG A 58 3.294 -15.783 -8.313 1.00 0.00 N ATOM 931 CZ ARG A 58 3.089 -16.539 -9.389 1.00 0.00 C ATOM 932 NH1 ARG A 58 3.974 -17.465 -9.737 1.00 0.00 N ATOM 933 NH2 ARG A 58 1.995 -16.369 -10.119 1.00 0.00 N ATOM 0 H ARG A 58 2.840 -14.297 -3.477 1.00 0.00 H new ATOM 0 HA ARG A 58 1.927 -15.751 -5.679 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.448 -15.463 -4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.329 -16.888 -5.119 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.597 -14.264 -6.365 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.291 -14.536 -6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.357 -15.602 -8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.605 -16.940 -7.162 1.00 0.00 H new ATOM 0 HE ARG A 58 2.591 -15.083 -8.077 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.817 -17.600 -9.179 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.811 -18.041 -10.563 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.311 -15.659 -9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.837 -16.948 -10.944 1.00 0.00 H new ATOM 947 N ALA A 59 2.931 -17.946 -3.505 1.00 0.00 N ATOM 948 CA ALA A 59 2.671 -19.270 -2.954 1.00 0.00 C ATOM 949 C ALA A 59 3.796 -19.704 -2.019 1.00 0.00 C ATOM 950 O ALA A 59 4.477 -20.699 -2.270 1.00 0.00 O ATOM 951 CB ALA A 59 2.491 -20.281 -4.076 1.00 0.00 C ATOM 0 H ALA A 59 3.855 -17.574 -3.284 1.00 0.00 H new ATOM 0 HA ALA A 59 1.750 -19.223 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.297 -21.266 -3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.649 -19.984 -4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.397 -20.319 -4.681 1.00 0.00 H new ATOM 957 N GLY A 60 3.984 -18.952 -0.940 1.00 0.00 N ATOM 958 CA GLY A 60 5.026 -19.274 0.017 1.00 0.00 C ATOM 959 C GLY A 60 5.647 -18.037 0.635 1.00 0.00 C ATOM 960 O GLY A 60 6.046 -18.052 1.799 1.00 0.00 O ATOM 0 H GLY A 60 3.433 -18.125 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.610 -19.901 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.802 -19.858 -0.478 1.00 0.00 H new ATOM 964 N GLY A 61 5.729 -16.965 -0.145 1.00 0.00 N ATOM 965 CA GLY A 61 6.307 -15.729 0.351 1.00 0.00 C ATOM 966 C GLY A 61 6.624 -14.748 -0.762 1.00 0.00 C ATOM 967 O GLY A 61 7.768 -14.653 -1.206 1.00 0.00 O ATOM 0 H GLY A 61 5.406 -16.929 -1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.615 -15.265 1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.219 -15.954 0.903 1.00 0.00 H new ATOM 971 N ARG A 62 5.609 -14.018 -1.210 1.00 0.00 N ATOM 972 CA ARG A 62 5.780 -13.040 -2.276 1.00 0.00 C ATOM 973 C ARG A 62 4.534 -12.172 -2.406 1.00 0.00 C ATOM 974 O ARG A 62 3.438 -12.595 -2.049 1.00 0.00 O ATOM 975 CB ARG A 62 6.066 -13.746 -3.604 1.00 0.00 C ATOM 976 CG ARG A 62 7.287 -13.208 -4.333 1.00 0.00 C ATOM 977 CD ARG A 62 8.070 -14.323 -5.008 1.00 0.00 C ATOM 978 NE ARG A 62 7.918 -14.297 -6.461 1.00 0.00 N ATOM 979 CZ ARG A 62 8.582 -13.466 -7.261 1.00 0.00 C ATOM 980 NH1 ARG A 62 9.439 -12.589 -6.754 1.00 0.00 N ATOM 981 NH2 ARG A 62 8.389 -13.512 -8.572 1.00 0.00 N ATOM 0 H ARG A 62 4.657 -14.086 -0.850 1.00 0.00 H new ATOM 0 HA ARG A 62 6.628 -12.402 -2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.206 -14.811 -3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.195 -13.648 -4.252 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.974 -12.478 -5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.932 -12.685 -3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.126 -14.231 -4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.732 -15.286 -4.625 1.00 0.00 H new ATOM 0 HE ARG A 62 7.265 -14.954 -6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.592 -12.549 -5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.945 -11.955 -7.372 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.732 -14.184 -8.967 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.898 -12.875 -9.185 1.00 0.00 H new ATOM 995 N LEU A 63 4.708 -10.962 -2.922 1.00 0.00 N ATOM 996 CA LEU A 63 3.590 -10.045 -3.103 1.00 0.00 C ATOM 997 C LEU A 63 3.634 -9.417 -4.481 1.00 0.00 C ATOM 998 O LEU A 63 4.695 -9.016 -4.957 1.00 0.00 O ATOM 999 CB LEU A 63 3.602 -8.950 -2.037 1.00 0.00 C ATOM 1000 CG LEU A 63 3.010 -9.370 -0.695 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.594 -9.892 -0.885 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.889 -10.425 -0.040 1.00 0.00 C ATOM 0 H LEU A 63 5.610 -10.593 -3.222 1.00 0.00 H new ATOM 0 HA LEU A 63 2.669 -10.620 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.630 -8.624 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.048 -8.089 -2.411 1.00 0.00 H new ATOM 0 HG LEU A 63 2.970 -8.500 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.183 -10.188 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.973 -9.109 -1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.610 -10.754 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.456 -10.716 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.955 -11.298 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.887 -10.017 0.122 1.00 0.00 H new ATOM 1014 N HIS A 64 2.477 -9.331 -5.115 1.00 0.00 N ATOM 1015 CA HIS A 64 2.387 -8.750 -6.441 1.00 0.00 C ATOM 1016 C HIS A 64 1.032 -8.092 -6.654 1.00 0.00 C ATOM 1017 O HIS A 64 0.030 -8.768 -6.891 1.00 0.00 O ATOM 1018 CB HIS A 64 2.634 -9.826 -7.504 1.00 0.00 C ATOM 1019 CG HIS A 64 1.548 -10.855 -7.593 1.00 0.00 C ATOM 1020 ND1 HIS A 64 0.510 -10.778 -8.498 1.00 0.00 N ATOM 1021 CD2 HIS A 64 1.341 -11.989 -6.880 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -0.287 -11.820 -8.338 1.00 0.00 C ATOM 1023 NE2 HIS A 64 0.195 -12.569 -7.364 1.00 0.00 N ATOM 0 H HIS A 64 1.589 -9.656 -4.733 1.00 0.00 H new ATOM 0 HA HIS A 64 3.153 -7.981 -6.533 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.744 -9.344 -8.475 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.578 -10.326 -7.287 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.378 -10.034 -9.183 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.962 -12.366 -6.081 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.181 -12.024 -8.908 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.217 -13.438 -7.026 1.00 0.00 H new ATOM 1032 N LEU A 65 1.002 -6.767 -6.578 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.238 -6.033 -6.779 1.00 0.00 C ATOM 1034 C LEU A 65 -0.805 -6.358 -8.155 1.00 0.00 C ATOM 1035 O LEU A 65 -2.012 -6.291 -8.388 1.00 0.00 O ATOM 1036 CB LEU A 65 -0.003 -4.526 -6.654 1.00 0.00 C ATOM 1037 CG LEU A 65 0.103 -4.004 -5.222 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.016 -4.897 -4.402 1.00 0.00 C ATOM 1039 CD2 LEU A 65 0.606 -2.568 -5.213 1.00 0.00 C ATOM 0 H LEU A 65 1.815 -6.184 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.950 -6.333 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.914 -4.271 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.818 -4.004 -7.155 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.890 -4.020 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.082 -4.513 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.613 -5.910 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.010 -4.911 -4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.675 -2.213 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.590 -2.524 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.087 -1.936 -5.769 1.00 0.00 H new ATOM 1051 N ASN A 66 0.100 -6.723 -9.055 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.249 -7.082 -10.421 1.00 0.00 C ATOM 1053 C ASN A 66 0.586 -8.271 -10.884 1.00 0.00 C ATOM 1054 O ASN A 66 1.453 -8.750 -10.154 1.00 0.00 O ATOM 1055 CB ASN A 66 -0.037 -5.892 -11.360 1.00 0.00 C ATOM 1056 CG ASN A 66 -1.162 -5.742 -12.365 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -2.338 -5.740 -12.002 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -0.806 -5.616 -13.638 1.00 0.00 N ATOM 0 H ASN A 66 1.099 -6.778 -8.856 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.303 -7.360 -10.446 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.045 -4.978 -10.771 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.907 -6.015 -11.891 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.520 -5.512 -14.359 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.181 -5.623 -13.895 1.00 0.00 H new ATOM 1065 N GLU A 67 0.324 -8.743 -12.096 1.00 0.00 N ATOM 1066 CA GLU A 67 1.054 -9.883 -12.644 1.00 0.00 C ATOM 1067 C GLU A 67 2.420 -9.472 -13.196 1.00 0.00 C ATOM 1068 O GLU A 67 2.928 -10.094 -14.129 1.00 0.00 O ATOM 1069 CB GLU A 67 0.231 -10.554 -13.747 1.00 0.00 C ATOM 1070 CG GLU A 67 -0.831 -11.503 -13.219 1.00 0.00 C ATOM 1071 CD GLU A 67 -1.036 -12.707 -14.119 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -0.322 -13.715 -13.933 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -1.910 -12.642 -15.009 1.00 0.00 O ATOM 0 H GLU A 67 -0.386 -8.357 -12.718 1.00 0.00 H new ATOM 0 HA GLU A 67 1.221 -10.588 -11.829 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.249 -9.784 -14.351 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.902 -11.104 -14.407 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.547 -11.843 -12.223 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.774 -10.966 -13.116 1.00 0.00 H new ATOM 1080 N ALA A 68 3.013 -8.427 -12.623 1.00 0.00 N ATOM 1081 CA ALA A 68 4.315 -7.957 -13.076 1.00 0.00 C ATOM 1082 C ALA A 68 5.104 -7.264 -11.962 1.00 0.00 C ATOM 1083 O ALA A 68 6.153 -6.675 -12.221 1.00 0.00 O ATOM 1084 CB ALA A 68 4.149 -7.018 -14.260 1.00 0.00 C ATOM 0 H ALA A 68 2.614 -7.895 -11.850 1.00 0.00 H new ATOM 0 HA ALA A 68 4.887 -8.834 -13.381 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.129 -6.673 -14.591 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.656 -7.546 -15.076 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.544 -6.162 -13.963 1.00 0.00 H new ATOM 1090 N VAL A 69 4.608 -7.324 -10.724 1.00 0.00 N ATOM 1091 CA VAL A 69 5.302 -6.682 -9.609 1.00 0.00 C ATOM 1092 C VAL A 69 5.392 -7.603 -8.391 1.00 0.00 C ATOM 1093 O VAL A 69 4.900 -7.272 -7.315 1.00 0.00 O ATOM 1094 CB VAL A 69 4.603 -5.369 -9.203 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.555 -4.405 -10.379 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.202 -5.649 -8.677 1.00 0.00 C ATOM 0 H VAL A 69 3.743 -7.802 -10.472 1.00 0.00 H new ATOM 0 HA VAL A 69 6.312 -6.462 -9.954 1.00 0.00 H new ATOM 0 HB VAL A 69 5.180 -4.904 -8.404 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.058 -3.484 -10.074 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.570 -4.179 -10.706 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.002 -4.861 -11.201 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.725 -4.710 -8.396 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.613 -6.137 -9.453 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.264 -6.300 -7.805 1.00 0.00 H new ATOM 1106 N SER A 70 6.020 -8.762 -8.568 1.00 0.00 N ATOM 1107 CA SER A 70 6.159 -9.730 -7.481 1.00 0.00 C ATOM 1108 C SER A 70 7.371 -9.430 -6.597 1.00 0.00 C ATOM 1109 O SER A 70 8.436 -9.057 -7.087 1.00 0.00 O ATOM 1110 CB SER A 70 6.268 -11.146 -8.046 1.00 0.00 C ATOM 1111 OG SER A 70 7.045 -11.164 -9.231 1.00 0.00 O ATOM 0 H SER A 70 6.440 -9.054 -9.450 1.00 0.00 H new ATOM 0 HA SER A 70 5.267 -9.651 -6.860 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.718 -11.804 -7.302 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.272 -11.535 -8.255 1.00 0.00 H new ATOM 0 HG SER A 70 7.803 -10.551 -9.134 1.00 0.00 H new ATOM 1117 N PHE A 71 7.195 -9.612 -5.287 1.00 0.00 N ATOM 1118 CA PHE A 71 8.268 -9.377 -4.320 1.00 0.00 C ATOM 1119 C PHE A 71 8.076 -10.225 -3.067 1.00 0.00 C ATOM 1120 O PHE A 71 7.029 -10.188 -2.425 1.00 0.00 O ATOM 1121 CB PHE A 71 8.350 -7.895 -3.949 1.00 0.00 C ATOM 1122 CG PHE A 71 9.724 -7.308 -4.132 1.00 0.00 C ATOM 1123 CD1 PHE A 71 10.858 -8.061 -3.867 1.00 0.00 C ATOM 1124 CD2 PHE A 71 9.880 -6.001 -4.568 1.00 0.00 C ATOM 1125 CE1 PHE A 71 12.120 -7.522 -4.033 1.00 0.00 C ATOM 1126 CE2 PHE A 71 11.141 -5.458 -4.735 1.00 0.00 C ATOM 1127 CZ PHE A 71 12.261 -6.219 -4.468 1.00 0.00 C ATOM 0 H PHE A 71 6.317 -9.922 -4.871 1.00 0.00 H new ATOM 0 HA PHE A 71 9.207 -9.671 -4.790 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.640 -7.336 -4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.045 -7.771 -2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.754 -9.081 -3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 71 9.008 -5.401 -4.779 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.995 -8.119 -3.823 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.249 -4.438 -5.074 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.246 -5.796 -4.599 1.00 0.00 H new ATOM 1137 N LEU A 72 9.118 -10.982 -2.746 1.00 0.00 N ATOM 1138 CA LEU A 72 9.158 -11.877 -1.586 1.00 0.00 C ATOM 1139 C LEU A 72 8.227 -11.454 -0.442 1.00 0.00 C ATOM 1140 O LEU A 72 7.598 -12.302 0.190 1.00 0.00 O ATOM 1141 CB LEU A 72 10.590 -11.931 -1.069 1.00 0.00 C ATOM 1142 CG LEU A 72 11.282 -10.569 -1.019 1.00 0.00 C ATOM 1143 CD1 LEU A 72 11.016 -9.891 0.318 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.775 -10.716 -1.263 1.00 0.00 C ATOM 0 H LEU A 72 9.979 -10.994 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 72 8.807 -12.853 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.589 -12.364 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.171 -12.599 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 72 10.872 -9.942 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.515 -8.922 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.943 -9.750 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.400 -10.515 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.248 -9.735 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 72 13.207 -11.359 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.941 -11.160 -2.245 1.00 0.00 H new ATOM 1156 N SER A 73 8.156 -10.156 -0.163 1.00 0.00 N ATOM 1157 CA SER A 73 7.315 -9.665 0.926 1.00 0.00 C ATOM 1158 C SER A 73 6.698 -8.311 0.597 1.00 0.00 C ATOM 1159 O SER A 73 6.852 -7.794 -0.510 1.00 0.00 O ATOM 1160 CB SER A 73 8.130 -9.563 2.216 1.00 0.00 C ATOM 1161 OG SER A 73 7.284 -9.439 3.346 1.00 0.00 O ATOM 0 H SER A 73 8.664 -9.431 -0.669 1.00 0.00 H new ATOM 0 HA SER A 73 6.503 -10.379 1.062 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.758 -10.447 2.324 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.797 -8.703 2.161 1.00 0.00 H new ATOM 0 HG SER A 73 7.829 -9.377 4.158 1.00 0.00 H new ATOM 1167 N LEU A 74 5.990 -7.747 1.571 1.00 0.00 N ATOM 1168 CA LEU A 74 5.337 -6.456 1.396 1.00 0.00 C ATOM 1169 C LEU A 74 6.353 -5.312 1.358 1.00 0.00 C ATOM 1170 O LEU A 74 6.473 -4.613 0.353 1.00 0.00 O ATOM 1171 CB LEU A 74 4.324 -6.209 2.512 1.00 0.00 C ATOM 1172 CG LEU A 74 2.921 -5.819 2.037 1.00 0.00 C ATOM 1173 CD1 LEU A 74 2.975 -5.114 0.686 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.024 -7.044 1.964 1.00 0.00 C ATOM 0 H LEU A 74 5.854 -8.166 2.491 1.00 0.00 H new ATOM 0 HA LEU A 74 4.817 -6.483 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.248 -7.111 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.705 -5.419 3.160 1.00 0.00 H new ATOM 0 HG LEU A 74 2.501 -5.123 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.965 -4.849 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.578 -4.210 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.421 -5.779 -0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.031 -6.748 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.447 -7.764 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.949 -7.500 2.951 1.00 0.00 H new ATOM 1186 N PRO A 75 7.103 -5.095 2.459 1.00 0.00 N ATOM 1187 CA PRO A 75 8.103 -4.026 2.530 1.00 0.00 C ATOM 1188 C PRO A 75 8.982 -3.995 1.289 1.00 0.00 C ATOM 1189 O PRO A 75 9.314 -2.926 0.778 1.00 0.00 O ATOM 1190 CB PRO A 75 8.930 -4.368 3.782 1.00 0.00 C ATOM 1191 CG PRO A 75 8.442 -5.706 4.244 1.00 0.00 C ATOM 1192 CD PRO A 75 7.048 -5.859 3.708 1.00 0.00 C ATOM 0 HA PRO A 75 7.644 -3.039 2.584 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.995 -4.399 3.550 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.795 -3.614 4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.089 -6.503 3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.448 -5.767 5.332 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.793 -6.904 3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.303 -5.459 4.396 1.00 0.00 H new ATOM 1200 N GLU A 76 9.328 -5.173 0.783 1.00 0.00 N ATOM 1201 CA GLU A 76 10.130 -5.254 -0.423 1.00 0.00 C ATOM 1202 C GLU A 76 9.240 -4.947 -1.613 1.00 0.00 C ATOM 1203 O GLU A 76 9.635 -4.247 -2.545 1.00 0.00 O ATOM 1204 CB GLU A 76 10.759 -6.639 -0.573 1.00 0.00 C ATOM 1205 CG GLU A 76 11.769 -6.977 0.513 1.00 0.00 C ATOM 1206 CD GLU A 76 12.694 -5.820 0.843 1.00 0.00 C ATOM 1207 OE1 GLU A 76 12.220 -4.835 1.448 1.00 0.00 O ATOM 1208 OE2 GLU A 76 13.891 -5.900 0.496 1.00 0.00 O ATOM 0 H GLU A 76 9.068 -6.073 1.186 1.00 0.00 H new ATOM 0 HA GLU A 76 10.943 -4.530 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.968 -7.389 -0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.250 -6.701 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.237 -7.278 1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.365 -7.832 0.194 1.00 0.00 H new ATOM 1215 N LEU A 77 8.014 -5.462 -1.552 1.00 0.00 N ATOM 1216 CA LEU A 77 7.031 -5.235 -2.602 1.00 0.00 C ATOM 1217 C LEU A 77 6.903 -3.740 -2.883 1.00 0.00 C ATOM 1218 O LEU A 77 7.074 -3.303 -4.021 1.00 0.00 O ATOM 1219 CB LEU A 77 5.678 -5.844 -2.203 1.00 0.00 C ATOM 1220 CG LEU A 77 4.455 -5.338 -2.975 1.00 0.00 C ATOM 1221 CD1 LEU A 77 3.941 -4.040 -2.368 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.785 -5.154 -4.449 1.00 0.00 C ATOM 0 H LEU A 77 7.679 -6.041 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 77 7.363 -5.725 -3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.739 -6.925 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.516 -5.654 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 77 3.667 -6.087 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.072 -3.695 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.658 -4.211 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.724 -3.283 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.902 -4.794 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.591 -4.428 -4.553 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.098 -6.108 -4.874 1.00 0.00 H new ATOM 1234 N VAL A 78 6.626 -2.950 -1.844 1.00 0.00 N ATOM 1235 CA VAL A 78 6.512 -1.507 -2.022 1.00 0.00 C ATOM 1236 C VAL A 78 7.836 -0.934 -2.508 1.00 0.00 C ATOM 1237 O VAL A 78 7.866 0.092 -3.184 1.00 0.00 O ATOM 1238 CB VAL A 78 6.081 -0.763 -0.737 1.00 0.00 C ATOM 1239 CG1 VAL A 78 4.595 -0.954 -0.470 1.00 0.00 C ATOM 1240 CG2 VAL A 78 6.914 -1.198 0.454 1.00 0.00 C ATOM 0 H VAL A 78 6.479 -3.279 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 78 5.729 -1.353 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 78 6.258 0.301 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.317 -0.421 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.021 -0.562 -1.310 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.381 -2.016 -0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.588 -0.658 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.789 -2.269 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.965 -0.980 0.262 1.00 0.00 H new ATOM 1250 N ASN A 79 8.935 -1.615 -2.176 1.00 0.00 N ATOM 1251 CA ASN A 79 10.257 -1.176 -2.607 1.00 0.00 C ATOM 1252 C ASN A 79 10.281 -1.040 -4.124 1.00 0.00 C ATOM 1253 O ASN A 79 10.747 -0.037 -4.662 1.00 0.00 O ATOM 1254 CB ASN A 79 11.332 -2.164 -2.147 1.00 0.00 C ATOM 1255 CG ASN A 79 12.685 -1.504 -1.972 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.686 -1.960 -2.525 1.00 0.00 O ATOM 1257 ND2 ASN A 79 12.723 -0.424 -1.200 1.00 0.00 N ATOM 0 H ASN A 79 8.933 -2.466 -1.614 1.00 0.00 H new ATOM 0 HA ASN A 79 10.470 -0.207 -2.155 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.026 -2.616 -1.203 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.416 -2.971 -2.875 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.606 0.062 -1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.869 -0.081 -0.761 1.00 0.00 H new ATOM 1264 N TYR A 80 9.741 -2.048 -4.806 1.00 0.00 N ATOM 1265 CA TYR A 80 9.667 -2.027 -6.260 1.00 0.00 C ATOM 1266 C TYR A 80 8.701 -0.932 -6.690 1.00 0.00 C ATOM 1267 O TYR A 80 8.927 -0.237 -7.681 1.00 0.00 O ATOM 1268 CB TYR A 80 9.202 -3.382 -6.799 1.00 0.00 C ATOM 1269 CG TYR A 80 9.245 -3.480 -8.306 1.00 0.00 C ATOM 1270 CD1 TYR A 80 10.447 -3.675 -8.976 1.00 0.00 C ATOM 1271 CD2 TYR A 80 8.083 -3.380 -9.061 1.00 0.00 C ATOM 1272 CE1 TYR A 80 10.490 -3.765 -10.354 1.00 0.00 C ATOM 1273 CE2 TYR A 80 8.117 -3.470 -10.440 1.00 0.00 C ATOM 1274 CZ TYR A 80 9.323 -3.662 -11.081 1.00 0.00 C ATOM 1275 OH TYR A 80 9.361 -3.753 -12.453 1.00 0.00 O ATOM 0 H TYR A 80 9.350 -2.885 -4.374 1.00 0.00 H new ATOM 0 HA TYR A 80 10.658 -1.826 -6.666 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.828 -4.167 -6.374 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.183 -3.568 -6.460 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.363 -3.758 -8.410 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.137 -3.229 -8.562 1.00 0.00 H new ATOM 0 HE1 TYR A 80 11.433 -3.915 -10.859 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.204 -3.390 -11.012 1.00 0.00 H new ATOM 0 HH TYR A 80 8.454 -3.661 -12.812 1.00 0.00 H new ATOM 1285 N HIS A 81 7.634 -0.774 -5.910 1.00 0.00 N ATOM 1286 CA HIS A 81 6.635 0.249 -6.173 1.00 0.00 C ATOM 1287 C HIS A 81 7.269 1.626 -6.042 1.00 0.00 C ATOM 1288 O HIS A 81 6.949 2.547 -6.792 1.00 0.00 O ATOM 1289 CB HIS A 81 5.474 0.129 -5.180 1.00 0.00 C ATOM 1290 CG HIS A 81 4.657 -1.106 -5.331 1.00 0.00 C ATOM 1291 ND1 HIS A 81 4.648 -1.870 -6.472 1.00 0.00 N ATOM 1292 CD2 HIS A 81 3.822 -1.716 -4.461 1.00 0.00 C ATOM 1293 CE1 HIS A 81 3.844 -2.899 -6.300 1.00 0.00 C ATOM 1294 NE2 HIS A 81 3.330 -2.830 -5.086 1.00 0.00 N ATOM 0 H HIS A 81 7.442 -1.346 -5.088 1.00 0.00 H new ATOM 0 HA HIS A 81 6.252 0.113 -7.185 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.874 0.163 -4.167 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.823 0.996 -5.295 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.180 -1.672 -7.319 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.587 -1.386 -3.460 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.640 -3.669 -7.029 1.00 0.00 H new ATOM 1303 N ARG A 82 8.168 1.754 -5.069 1.00 0.00 N ATOM 1304 CA ARG A 82 8.849 3.014 -4.814 1.00 0.00 C ATOM 1305 C ARG A 82 9.760 3.384 -5.958 1.00 0.00 C ATOM 1306 O ARG A 82 9.870 4.550 -6.337 1.00 0.00 O ATOM 1307 CB ARG A 82 9.633 2.943 -3.503 1.00 0.00 C ATOM 1308 CG ARG A 82 10.409 4.211 -3.183 1.00 0.00 C ATOM 1309 CD ARG A 82 11.874 4.079 -3.566 1.00 0.00 C ATOM 1310 NE ARG A 82 12.728 4.960 -2.771 1.00 0.00 N ATOM 1311 CZ ARG A 82 14.041 4.791 -2.628 1.00 0.00 C ATOM 1312 NH1 ARG A 82 14.655 3.778 -3.225 1.00 0.00 N ATOM 1313 NH2 ARG A 82 14.740 5.640 -1.888 1.00 0.00 N ATOM 0 H ARG A 82 8.440 0.995 -4.444 1.00 0.00 H new ATOM 0 HA ARG A 82 8.092 3.793 -4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.941 2.736 -2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.328 2.105 -3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.967 5.053 -3.715 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.328 4.429 -2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.193 3.046 -3.430 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.995 4.314 -4.624 1.00 0.00 H new ATOM 0 HE ARG A 82 12.292 5.751 -2.298 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.121 3.124 -3.797 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.661 3.653 -3.112 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.272 6.421 -1.429 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.746 5.512 -1.778 1.00 0.00 H new ATOM 1327 N ALA A 83 10.385 2.390 -6.528 1.00 0.00 N ATOM 1328 CA ALA A 83 11.251 2.619 -7.659 1.00 0.00 C ATOM 1329 C ALA A 83 10.377 2.915 -8.863 1.00 0.00 C ATOM 1330 O ALA A 83 10.323 4.039 -9.360 1.00 0.00 O ATOM 1331 CB ALA A 83 12.141 1.412 -7.914 1.00 0.00 C ATOM 0 H ALA A 83 10.313 1.417 -6.232 1.00 0.00 H new ATOM 0 HA ALA A 83 11.911 3.464 -7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.785 1.609 -8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.756 1.221 -7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.521 0.539 -8.119 1.00 0.00 H new ATOM 1337 N GLN A 84 9.668 1.885 -9.296 1.00 0.00 N ATOM 1338 CA GLN A 84 8.744 1.987 -10.415 1.00 0.00 C ATOM 1339 C GLN A 84 7.304 2.150 -9.933 1.00 0.00 C ATOM 1340 O GLN A 84 6.850 1.405 -9.065 1.00 0.00 O ATOM 1341 CB GLN A 84 8.862 0.757 -11.318 1.00 0.00 C ATOM 1342 CG GLN A 84 9.691 0.999 -12.570 1.00 0.00 C ATOM 1343 CD GLN A 84 9.055 0.411 -13.814 1.00 0.00 C ATOM 1344 OE1 GLN A 84 7.868 0.899 -14.159 1.00 0.00 O flip ATOM 1345 NE2 GLN A 84 9.623 -0.471 -14.458 1.00 0.00 N flip ATOM 0 H GLN A 84 9.717 0.954 -8.882 1.00 0.00 H new ATOM 0 HA GLN A 84 9.011 2.875 -10.988 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.307 -0.059 -10.750 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.863 0.434 -11.611 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.828 2.071 -12.709 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.682 0.566 -12.434 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.534 -0.816 -14.156 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.182 -0.857 -15.293 1.00 0.00 H new ATOM 1354 N SER A 85 6.576 3.092 -10.521 1.00 0.00 N ATOM 1355 CA SER A 85 5.175 3.296 -10.162 1.00 0.00 C ATOM 1356 C SER A 85 4.266 2.538 -11.134 1.00 0.00 C ATOM 1357 O SER A 85 3.069 2.811 -11.220 1.00 0.00 O ATOM 1358 CB SER A 85 4.817 4.780 -10.175 1.00 0.00 C ATOM 1359 OG SER A 85 5.959 5.585 -10.410 1.00 0.00 O ATOM 0 H SER A 85 6.927 3.722 -11.242 1.00 0.00 H new ATOM 0 HA SER A 85 5.026 2.913 -9.153 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.071 4.969 -10.947 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.366 5.055 -9.222 1.00 0.00 H new ATOM 0 HG SER A 85 5.698 6.530 -10.414 1.00 0.00 H new ATOM 1365 N LEU A 86 4.855 1.597 -11.876 1.00 0.00 N ATOM 1366 CA LEU A 86 4.129 0.798 -12.865 1.00 0.00 C ATOM 1367 C LEU A 86 2.739 0.394 -12.375 1.00 0.00 C ATOM 1368 O LEU A 86 1.728 0.907 -12.853 1.00 0.00 O ATOM 1369 CB LEU A 86 4.942 -0.454 -13.217 1.00 0.00 C ATOM 1370 CG LEU A 86 4.190 -1.525 -14.018 1.00 0.00 C ATOM 1371 CD1 LEU A 86 4.900 -1.810 -15.333 1.00 0.00 C ATOM 1372 CD2 LEU A 86 4.047 -2.801 -13.201 1.00 0.00 C ATOM 0 H LEU A 86 5.847 1.368 -11.808 1.00 0.00 H new ATOM 0 HA LEU A 86 3.994 1.417 -13.752 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.819 -0.148 -13.787 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.303 -0.904 -12.292 1.00 0.00 H new ATOM 0 HG LEU A 86 3.193 -1.146 -14.243 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.350 -2.572 -15.885 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.949 -0.896 -15.926 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.910 -2.166 -15.131 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.511 -3.549 -13.785 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.036 -3.181 -12.944 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.492 -2.588 -12.288 1.00 0.00 H new ATOM 1384 N SER A 87 2.699 -0.536 -11.430 1.00 0.00 N ATOM 1385 CA SER A 87 1.434 -1.016 -10.887 1.00 0.00 C ATOM 1386 C SER A 87 1.088 -0.297 -9.593 1.00 0.00 C ATOM 1387 O SER A 87 0.581 -0.902 -8.649 1.00 0.00 O ATOM 1388 CB SER A 87 1.499 -2.526 -10.645 1.00 0.00 C ATOM 1389 OG SER A 87 0.351 -2.980 -9.950 1.00 0.00 O ATOM 0 H SER A 87 3.526 -0.973 -11.024 1.00 0.00 H new ATOM 0 HA SER A 87 0.652 -0.805 -11.617 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.581 -3.047 -11.599 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.394 -2.768 -10.072 1.00 0.00 H new ATOM 0 HG SER A 87 0.359 -2.624 -9.037 1.00 0.00 H new ATOM 1395 N HIS A 88 1.369 0.999 -9.551 1.00 0.00 N ATOM 1396 CA HIS A 88 1.089 1.793 -8.369 1.00 0.00 C ATOM 1397 C HIS A 88 0.942 3.267 -8.735 1.00 0.00 C ATOM 1398 O HIS A 88 1.836 3.855 -9.346 1.00 0.00 O ATOM 1399 CB HIS A 88 2.205 1.593 -7.342 1.00 0.00 C ATOM 1400 CG HIS A 88 1.784 1.859 -5.935 1.00 0.00 C ATOM 1401 ND1 HIS A 88 1.357 0.868 -5.077 1.00 0.00 N ATOM 1402 CD2 HIS A 88 1.731 3.012 -5.230 1.00 0.00 C ATOM 1403 CE1 HIS A 88 1.058 1.402 -3.908 1.00 0.00 C ATOM 1404 NE2 HIS A 88 1.277 2.700 -3.979 1.00 0.00 N ATOM 0 H HIS A 88 1.790 1.519 -10.321 1.00 0.00 H new ATOM 0 HA HIS A 88 0.146 1.464 -7.932 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.573 0.569 -7.414 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.038 2.250 -7.592 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.284 -0.122 -5.309 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.998 3.995 -5.588 1.00 0.00 H new ATOM 0 HE1 HIS A 88 0.696 0.868 -3.042 1.00 0.00 H new ATOM 1413 N GLY A 89 -0.199 3.855 -8.368 1.00 0.00 N ATOM 1414 CA GLY A 89 -0.468 5.257 -8.668 1.00 0.00 C ATOM 1415 C GLY A 89 0.760 6.139 -8.550 1.00 0.00 C ATOM 1416 O GLY A 89 0.908 7.120 -9.280 1.00 0.00 O ATOM 0 H GLY A 89 -0.948 3.380 -7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.868 5.335 -9.679 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.239 5.625 -7.991 1.00 0.00 H new ATOM 1420 N LEU A 90 1.638 5.784 -7.626 1.00 0.00 N ATOM 1421 CA LEU A 90 2.864 6.529 -7.395 1.00 0.00 C ATOM 1422 C LEU A 90 3.934 5.600 -6.836 1.00 0.00 C ATOM 1423 O LEU A 90 3.759 4.383 -6.814 1.00 0.00 O ATOM 1424 CB LEU A 90 2.607 7.689 -6.424 1.00 0.00 C ATOM 1425 CG LEU A 90 3.474 8.935 -6.642 1.00 0.00 C ATOM 1426 CD1 LEU A 90 2.674 10.037 -7.322 1.00 0.00 C ATOM 1427 CD2 LEU A 90 4.041 9.428 -5.316 1.00 0.00 C ATOM 0 H LEU A 90 1.521 4.974 -7.017 1.00 0.00 H new ATOM 0 HA LEU A 90 3.212 6.942 -8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.559 7.979 -6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.765 7.331 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 90 4.304 8.664 -7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.309 10.911 -7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.317 9.684 -8.289 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.822 10.307 -6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.654 10.313 -5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.223 9.680 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.653 8.645 -4.868 1.00 0.00 H new ATOM 1439 N ARG A 91 5.040 6.172 -6.392 1.00 0.00 N ATOM 1440 CA ARG A 91 6.130 5.383 -5.840 1.00 0.00 C ATOM 1441 C ARG A 91 6.142 5.452 -4.313 1.00 0.00 C ATOM 1442 O ARG A 91 6.390 6.508 -3.731 1.00 0.00 O ATOM 1443 CB ARG A 91 7.463 5.871 -6.404 1.00 0.00 C ATOM 1444 CG ARG A 91 7.744 5.376 -7.813 1.00 0.00 C ATOM 1445 CD ARG A 91 8.712 6.294 -8.543 1.00 0.00 C ATOM 1446 NE ARG A 91 8.115 7.594 -8.845 1.00 0.00 N ATOM 1447 CZ ARG A 91 8.256 8.677 -8.081 1.00 0.00 C ATOM 1448 NH1 ARG A 91 8.962 8.623 -6.957 1.00 0.00 N ATOM 1449 NH2 ARG A 91 7.685 9.818 -8.440 1.00 0.00 N ATOM 0 H ARG A 91 5.208 7.178 -6.402 1.00 0.00 H new ATOM 0 HA ARG A 91 5.980 4.342 -6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.472 6.961 -6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.268 5.545 -5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.158 4.369 -7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.810 5.313 -8.371 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.604 6.438 -7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.033 5.819 -9.470 1.00 0.00 H new ATOM 0 HE ARG A 91 7.555 7.677 -9.694 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.402 7.748 -6.672 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.065 9.457 -6.379 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.139 9.866 -9.300 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.792 10.648 -7.856 1.00 0.00 H new ATOM 1463 N LEU A 92 5.873 4.313 -3.673 1.00 0.00 N ATOM 1464 CA LEU A 92 5.854 4.231 -2.210 1.00 0.00 C ATOM 1465 C LEU A 92 7.061 4.940 -1.599 1.00 0.00 C ATOM 1466 O LEU A 92 8.177 4.428 -1.623 1.00 0.00 O ATOM 1467 CB LEU A 92 5.794 2.772 -1.768 1.00 0.00 C ATOM 1468 CG LEU A 92 4.381 2.158 -1.722 1.00 0.00 C ATOM 1469 CD1 LEU A 92 3.300 3.177 -2.047 1.00 0.00 C ATOM 1470 CD2 LEU A 92 4.278 0.986 -2.666 1.00 0.00 C ATOM 0 H LEU A 92 5.665 3.433 -4.145 1.00 0.00 H new ATOM 0 HA LEU A 92 4.961 4.741 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.409 2.178 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.241 2.691 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 92 4.219 1.815 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.322 2.697 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.338 3.991 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.463 3.574 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.273 0.567 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.484 1.319 -3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.003 0.224 -2.380 1.00 0.00 H new ATOM 1482 N ALA A 93 6.822 6.140 -1.073 1.00 0.00 N ATOM 1483 CA ALA A 93 7.887 6.947 -0.479 1.00 0.00 C ATOM 1484 C ALA A 93 8.000 6.745 1.032 1.00 0.00 C ATOM 1485 O ALA A 93 8.881 6.029 1.506 1.00 0.00 O ATOM 1486 CB ALA A 93 7.665 8.418 -0.800 1.00 0.00 C ATOM 0 H ALA A 93 5.900 6.575 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 93 8.829 6.615 -0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.463 9.012 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.668 8.559 -1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.705 8.738 -0.395 1.00 0.00 H new ATOM 1492 N ALA A 94 7.114 7.396 1.786 1.00 0.00 N ATOM 1493 CA ALA A 94 7.135 7.296 3.245 1.00 0.00 C ATOM 1494 C ALA A 94 5.916 6.548 3.785 1.00 0.00 C ATOM 1495 O ALA A 94 4.950 6.308 3.062 1.00 0.00 O ATOM 1496 CB ALA A 94 7.211 8.687 3.857 1.00 0.00 C ATOM 0 H ALA A 94 6.377 7.995 1.413 1.00 0.00 H new ATOM 0 HA ALA A 94 8.019 6.724 3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.226 8.606 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.119 9.185 3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.342 9.268 3.549 1.00 0.00 H new ATOM 1502 N PRO A 95 5.949 6.169 5.079 1.00 0.00 N ATOM 1503 CA PRO A 95 4.847 5.446 5.727 1.00 0.00 C ATOM 1504 C PRO A 95 3.624 6.325 5.957 1.00 0.00 C ATOM 1505 O PRO A 95 3.738 7.544 6.079 1.00 0.00 O ATOM 1506 CB PRO A 95 5.438 5.026 7.075 1.00 0.00 C ATOM 1507 CG PRO A 95 6.502 6.031 7.351 1.00 0.00 C ATOM 1508 CD PRO A 95 7.067 6.418 6.011 1.00 0.00 C ATOM 0 HA PRO A 95 4.499 4.617 5.111 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.679 5.027 7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.848 4.017 7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 95 6.093 6.900 7.867 1.00 0.00 H new ATOM 0 HG3 PRO A 95 7.276 5.613 7.994 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.379 7.462 5.994 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.942 5.820 5.757 1.00 0.00 H new ATOM 1516 N CYS A 96 2.455 5.696 6.030 1.00 0.00 N ATOM 1517 CA CYS A 96 1.215 6.426 6.263 1.00 0.00 C ATOM 1518 C CYS A 96 1.257 7.118 7.622 1.00 0.00 C ATOM 1519 O CYS A 96 1.538 6.487 8.642 1.00 0.00 O ATOM 1520 CB CYS A 96 0.013 5.478 6.191 1.00 0.00 C ATOM 1521 SG CYS A 96 -0.153 4.369 7.612 1.00 0.00 S ATOM 0 H CYS A 96 2.341 4.687 5.932 1.00 0.00 H new ATOM 0 HA CYS A 96 1.108 7.183 5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -0.897 6.071 6.101 1.00 0.00 H new ATOM 0 HB3 CYS A 96 0.093 4.878 5.285 1.00 0.00 H new ATOM 0 HG CYS A 96 0.584 4.804 8.591 1.00 0.00 H new ATOM 1527 N ARG A 97 0.980 8.415 7.634 1.00 0.00 N ATOM 1528 CA ARG A 97 0.992 9.181 8.873 1.00 0.00 C ATOM 1529 C ARG A 97 -0.424 9.579 9.276 1.00 0.00 C ATOM 1530 O ARG A 97 -1.302 9.732 8.426 1.00 0.00 O ATOM 1531 CB ARG A 97 1.867 10.426 8.717 1.00 0.00 C ATOM 1532 CG ARG A 97 3.355 10.137 8.823 1.00 0.00 C ATOM 1533 CD ARG A 97 4.190 11.333 8.393 1.00 0.00 C ATOM 1534 NE ARG A 97 4.855 11.104 7.112 1.00 0.00 N ATOM 1535 CZ ARG A 97 5.905 11.804 6.687 1.00 0.00 C ATOM 1536 NH1 ARG A 97 6.412 12.777 7.434 1.00 0.00 N ATOM 1537 NH2 ARG A 97 6.450 11.530 5.508 1.00 0.00 N ATOM 0 H ARG A 97 0.745 8.957 6.803 1.00 0.00 H new ATOM 0 HA ARG A 97 1.409 8.553 9.660 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.662 10.886 7.750 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.591 11.153 9.481 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.602 9.871 9.851 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.604 9.277 8.202 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.551 12.213 8.318 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.938 11.546 9.157 1.00 0.00 H new ATOM 0 HE ARG A 97 4.494 10.365 6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.997 12.993 8.340 1.00 0.00 H new ATOM 0 HH12 ARG A 97 7.216 13.309 7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.064 10.784 4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.254 12.065 5.181 1.00 0.00 H new