USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 THR OG1 : rot 145:sc= 0.0454 USER MOD Set 1.2: C 29 GLN : amide:sc= 0.0303 X(o=0.076,f=-0.045) USER MOD Set 2.1: C 13 ASN : amide:sc= -0.25 K(o=-0.25,f=-1.5!) USER MOD Set 2.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: C 11 SER OG : rot 180:sc= 0 USER MOD Set 3.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 13 ASN : amide:sc= -0.668 K(o=-0.67,f=-2.3!) USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc=-5.26e-05 USER MOD Set 5.1: A 11 SER OG : rot -88:sc= 0.38 USER MOD Set 5.2: A 21 THR OG1 : rot 180:sc= 0.349 USER MOD Single : A 1 MET CE :methyl 176:sc= -0.0908 (180deg=-0.103) USER MOD Single : A 1 MET N :NH3+ 130:sc= 0.0559 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.0916 (180deg=-0.534) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.03! C(o=-1!,f=-1.2!) USER MOD Single : A 29 GLN : amide:sc= -0.721 X(o=-0.72,f=-1.1) USER MOD Single : A 35 ASN : amide:sc= -0.0377 K(o=-0.038,f=-1.8!) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc=-0.00626 (180deg=-0.175) USER MOD Single : A 43 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-2.2) USER MOD Single : A 48 TYR OH : rot -41:sc= 0.149 USER MOD Single : C 1 MET CE :methyl -157:sc= -0.771 (180deg=-2.38) USER MOD Single : C 1 MET N :NH3+ -118:sc= 0.0377 (180deg=-0.182) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.672 K(o=-0.67,f=-4.6!) USER MOD Single : C 35 ASN : amide:sc= -0.0507 K(o=-0.051,f=-2) USER MOD Single : C 38 LYS NZ :NH3+ 155:sc= -0.0665 (180deg=-0.371) USER MOD Single : C 43 HIS : no HE2:sc= -1.35 K(o=-1.4,f=-2.5) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.300 10.314 -3.287 1.00 0.00 N ATOM 2 CA MET A 1 -7.335 9.208 -3.441 1.00 0.00 C ATOM 3 C MET A 1 -6.115 9.667 -4.224 1.00 0.00 C ATOM 4 O MET A 1 -6.205 10.582 -5.042 1.00 0.00 O ATOM 5 CB MET A 1 -7.971 8.035 -4.190 1.00 0.00 C ATOM 6 CG MET A 1 -7.129 6.761 -4.157 1.00 0.00 C ATOM 7 SD MET A 1 -7.627 5.567 -2.909 1.00 0.00 S ATOM 8 CE MET A 1 -9.016 4.945 -3.878 1.00 0.00 C ATOM 0 H1 MET A 1 -9.247 9.990 -3.570 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.321 10.621 -2.293 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.013 11.112 -3.889 1.00 0.00 H new ATOM 0 HA MET A 1 -7.038 8.892 -2.441 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.949 7.826 -3.757 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.137 8.324 -5.228 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.176 6.284 -5.136 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.088 7.034 -3.985 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.483 4.113 -3.352 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.747 5.741 -4.019 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.658 4.605 -4.850 1.00 0.00 H new ATOM 20 N LEU A 2 -4.977 9.027 -3.971 1.00 0.00 N ATOM 21 CA LEU A 2 -3.747 9.216 -4.719 1.00 0.00 C ATOM 22 C LEU A 2 -3.256 7.833 -5.140 1.00 0.00 C ATOM 23 O LEU A 2 -2.755 7.070 -4.314 1.00 0.00 O ATOM 24 CB LEU A 2 -2.775 10.010 -3.836 1.00 0.00 C ATOM 25 CG LEU A 2 -1.467 10.437 -4.516 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.422 9.326 -4.473 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.686 10.856 -5.966 1.00 0.00 C ATOM 0 H LEU A 2 -4.887 8.345 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.868 9.798 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.285 10.903 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.530 9.407 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.102 11.296 -3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.490 9.665 -4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.203 9.072 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.806 8.446 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.734 11.150 -6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.103 10.020 -6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.378 11.698 -6.001 1.00 0.00 H new ATOM 39 N ILE A 3 -3.410 7.519 -6.432 1.00 0.00 N ATOM 40 CA ILE A 3 -3.117 6.208 -6.995 1.00 0.00 C ATOM 41 C ILE A 3 -1.775 6.226 -7.725 1.00 0.00 C ATOM 42 O ILE A 3 -1.416 7.217 -8.356 1.00 0.00 O ATOM 43 CB ILE A 3 -4.227 5.804 -7.984 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.595 5.646 -7.310 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.898 4.464 -8.640 1.00 0.00 C ATOM 46 CD1 ILE A 3 -6.361 6.963 -7.282 1.00 0.00 C ATOM 0 H ILE A 3 -3.749 8.187 -7.124 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.069 5.486 -6.180 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.276 6.610 -8.716 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.179 4.896 -7.843 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.460 5.281 -6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.693 4.194 -9.335 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.955 4.545 -9.181 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.811 3.695 -7.873 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.326 6.813 -6.797 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.788 7.706 -6.727 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.518 7.314 -8.302 1.00 0.00 H new ATOM 58 N LEU A 4 -1.035 5.118 -7.629 1.00 0.00 N ATOM 59 CA LEU A 4 0.222 4.935 -8.343 1.00 0.00 C ATOM 60 C LEU A 4 0.608 3.453 -8.376 1.00 0.00 C ATOM 61 O LEU A 4 -0.057 2.628 -7.747 1.00 0.00 O ATOM 62 CB LEU A 4 1.310 5.824 -7.723 1.00 0.00 C ATOM 63 CG LEU A 4 1.270 5.960 -6.194 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.692 4.672 -5.499 1.00 0.00 C ATOM 65 CD2 LEU A 4 2.228 7.082 -5.800 1.00 0.00 C ATOM 0 H LEU A 4 -1.297 4.321 -7.049 1.00 0.00 H new ATOM 0 HA LEU A 4 0.106 5.248 -9.381 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.284 5.426 -8.008 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.232 6.820 -8.160 1.00 0.00 H new ATOM 0 HG LEU A 4 0.248 6.179 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.650 4.811 -4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.018 3.865 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.710 4.417 -5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.221 7.203 -4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.236 6.833 -6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.911 8.013 -6.271 1.00 0.00 H new ATOM 77 N THR A 5 1.676 3.107 -9.105 1.00 0.00 N ATOM 78 CA THR A 5 2.152 1.725 -9.184 1.00 0.00 C ATOM 79 C THR A 5 3.523 1.559 -8.543 1.00 0.00 C ATOM 80 O THR A 5 4.289 2.513 -8.428 1.00 0.00 O ATOM 81 CB THR A 5 2.305 1.249 -10.632 1.00 0.00 C ATOM 82 OG1 THR A 5 3.080 2.167 -11.374 1.00 0.00 O ATOM 83 CG2 THR A 5 0.987 0.994 -11.356 1.00 0.00 C ATOM 0 H THR A 5 2.227 3.770 -9.650 1.00 0.00 H new ATOM 0 HA THR A 5 1.398 1.139 -8.659 1.00 0.00 H new ATOM 0 HB THR A 5 2.809 0.285 -10.565 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.630 1.681 -12.023 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.190 0.661 -12.374 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.424 0.225 -10.827 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.404 1.914 -11.385 1.00 0.00 H new ATOM 91 N ARG A 6 3.806 0.320 -8.131 1.00 0.00 N ATOM 92 CA ARG A 6 5.107 -0.129 -7.663 1.00 0.00 C ATOM 93 C ARG A 6 5.301 -1.581 -8.089 1.00 0.00 C ATOM 94 O ARG A 6 4.341 -2.251 -8.459 1.00 0.00 O ATOM 95 CB ARG A 6 5.178 -0.042 -6.132 1.00 0.00 C ATOM 96 CG ARG A 6 5.445 1.374 -5.608 1.00 0.00 C ATOM 97 CD ARG A 6 6.932 1.726 -5.565 1.00 0.00 C ATOM 98 NE ARG A 6 7.611 1.587 -6.864 1.00 0.00 N ATOM 99 CZ ARG A 6 8.242 2.575 -7.506 1.00 0.00 C ATOM 100 NH1 ARG A 6 8.286 3.810 -7.012 1.00 0.00 N ATOM 101 NH2 ARG A 6 8.839 2.328 -8.665 1.00 0.00 N ATOM 0 H ARG A 6 3.105 -0.420 -8.116 1.00 0.00 H new ATOM 0 HA ARG A 6 5.885 0.503 -8.090 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.240 -0.405 -5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.965 -0.707 -5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.925 2.093 -6.241 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.026 1.470 -4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.043 2.752 -5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.427 1.085 -4.836 1.00 0.00 H new ATOM 0 HE ARG A 6 7.599 0.668 -7.307 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.831 4.020 -6.123 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.774 4.546 -7.522 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.815 1.388 -9.061 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.322 3.078 -9.160 1.00 0.00 H new ATOM 115 N LYS A 7 6.543 -2.057 -8.037 1.00 0.00 N ATOM 116 CA LYS A 7 6.900 -3.429 -8.361 1.00 0.00 C ATOM 117 C LYS A 7 7.242 -4.158 -7.072 1.00 0.00 C ATOM 118 O LYS A 7 7.528 -3.511 -6.064 1.00 0.00 O ATOM 119 CB LYS A 7 8.129 -3.433 -9.270 1.00 0.00 C ATOM 120 CG LYS A 7 7.801 -3.144 -10.735 1.00 0.00 C ATOM 121 CD LYS A 7 7.110 -4.364 -11.341 1.00 0.00 C ATOM 122 CE LYS A 7 7.052 -4.325 -12.865 1.00 0.00 C ATOM 123 NZ LYS A 7 8.394 -4.224 -13.467 1.00 0.00 N ATOM 0 H LYS A 7 7.342 -1.486 -7.763 1.00 0.00 H new ATOM 0 HA LYS A 7 6.068 -3.919 -8.867 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.840 -2.689 -8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.621 -4.403 -9.200 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.155 -2.269 -10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.713 -2.915 -11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.636 -5.265 -11.027 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.096 -4.433 -10.947 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.557 -5.224 -13.232 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.447 -3.476 -13.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.354 -4.535 -14.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.719 -3.237 -13.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.057 -4.829 -12.941 1.00 0.00 H new ATOM 137 N VAL A 8 7.216 -5.494 -7.083 1.00 0.00 N ATOM 138 CA VAL A 8 7.550 -6.223 -5.870 1.00 0.00 C ATOM 139 C VAL A 8 8.973 -5.876 -5.442 1.00 0.00 C ATOM 140 O VAL A 8 9.904 -5.954 -6.244 1.00 0.00 O ATOM 141 CB VAL A 8 7.356 -7.730 -6.061 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.871 -8.029 -6.256 1.00 0.00 C ATOM 143 CG2 VAL A 8 8.117 -8.275 -7.268 1.00 0.00 C ATOM 0 H VAL A 8 6.976 -6.070 -7.890 1.00 0.00 H new ATOM 0 HA VAL A 8 6.872 -5.922 -5.071 1.00 0.00 H new ATOM 0 HB VAL A 8 7.747 -8.216 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.731 -9.101 -6.392 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.315 -7.699 -5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.506 -7.501 -7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.943 -9.348 -7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.769 -7.777 -8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.183 -8.090 -7.140 1.00 0.00 H new ATOM 153 N GLY A 9 9.143 -5.494 -4.174 1.00 0.00 N ATOM 154 CA GLY A 9 10.446 -5.125 -3.642 1.00 0.00 C ATOM 155 C GLY A 9 10.675 -3.608 -3.622 1.00 0.00 C ATOM 156 O GLY A 9 11.798 -3.171 -3.374 1.00 0.00 O ATOM 0 H GLY A 9 8.384 -5.434 -3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.543 -5.515 -2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.224 -5.597 -4.241 1.00 0.00 H new ATOM 160 N GLU A 10 9.637 -2.804 -3.879 1.00 0.00 N ATOM 161 CA GLU A 10 9.748 -1.346 -3.868 1.00 0.00 C ATOM 162 C GLU A 10 8.874 -0.746 -2.769 1.00 0.00 C ATOM 163 O GLU A 10 8.130 -1.466 -2.103 1.00 0.00 O ATOM 164 CB GLU A 10 9.389 -0.781 -5.246 1.00 0.00 C ATOM 165 CG GLU A 10 10.315 -1.334 -6.327 1.00 0.00 C ATOM 166 CD GLU A 10 10.062 -0.664 -7.675 1.00 0.00 C ATOM 167 OE1 GLU A 10 8.872 -0.473 -8.015 1.00 0.00 O ATOM 168 OE2 GLU A 10 11.061 -0.342 -8.356 1.00 0.00 O ATOM 0 H GLU A 10 8.702 -3.146 -4.099 1.00 0.00 H new ATOM 0 HA GLU A 10 10.780 -1.071 -3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.355 -1.030 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.458 0.307 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.353 -1.180 -6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.166 -2.410 -6.420 1.00 0.00 H new ATOM 175 N SER A 11 8.960 0.574 -2.567 1.00 0.00 N ATOM 176 CA SER A 11 8.364 1.224 -1.404 1.00 0.00 C ATOM 177 C SER A 11 7.653 2.535 -1.724 1.00 0.00 C ATOM 178 O SER A 11 7.689 3.036 -2.849 1.00 0.00 O ATOM 179 CB SER A 11 9.451 1.466 -0.358 1.00 0.00 C ATOM 180 OG SER A 11 10.055 0.250 0.028 1.00 0.00 O ATOM 0 H SER A 11 9.441 1.213 -3.201 1.00 0.00 H new ATOM 0 HA SER A 11 7.595 0.551 -1.025 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.206 2.140 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.019 1.956 0.515 1.00 0.00 H new ATOM 0 HG SER A 11 9.547 -0.148 0.766 1.00 0.00 H new ATOM 186 N ILE A 12 7.000 3.077 -0.692 1.00 0.00 N ATOM 187 CA ILE A 12 6.120 4.241 -0.713 1.00 0.00 C ATOM 188 C ILE A 12 6.180 4.860 0.688 1.00 0.00 C ATOM 189 O ILE A 12 6.663 4.217 1.618 1.00 0.00 O ATOM 190 CB ILE A 12 4.686 3.788 -1.056 1.00 0.00 C ATOM 191 CG1 ILE A 12 4.655 3.072 -2.413 1.00 0.00 C ATOM 192 CG2 ILE A 12 3.705 4.966 -1.082 1.00 0.00 C ATOM 193 CD1 ILE A 12 3.245 2.632 -2.803 1.00 0.00 C ATOM 0 H ILE A 12 7.081 2.683 0.245 1.00 0.00 H new ATOM 0 HA ILE A 12 6.425 4.971 -1.463 1.00 0.00 H new ATOM 0 HB ILE A 12 4.374 3.099 -0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.052 3.736 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.308 2.200 -2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.707 4.603 -1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.686 5.446 -0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.023 5.688 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.275 2.130 -3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.857 1.946 -2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.596 3.505 -2.867 1.00 0.00 H new ATOM 205 N ASN A 13 5.697 6.093 0.857 1.00 0.00 N ATOM 206 CA ASN A 13 5.769 6.785 2.140 1.00 0.00 C ATOM 207 C ASN A 13 4.532 7.642 2.405 1.00 0.00 C ATOM 208 O ASN A 13 3.860 8.078 1.472 1.00 0.00 O ATOM 209 CB ASN A 13 7.014 7.667 2.165 1.00 0.00 C ATOM 210 CG ASN A 13 8.289 6.838 2.167 1.00 0.00 C ATOM 211 OD1 ASN A 13 8.847 6.545 1.115 1.00 0.00 O ATOM 212 ND2 ASN A 13 8.755 6.455 3.352 1.00 0.00 N ATOM 0 H ASN A 13 5.250 6.633 0.116 1.00 0.00 H new ATOM 0 HA ASN A 13 5.818 6.029 2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.010 8.327 1.298 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.992 8.303 3.050 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.607 5.896 3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.261 6.720 4.204 1.00 0.00 H new ATOM 219 N ILE A 14 4.246 7.871 3.694 1.00 0.00 N ATOM 220 CA ILE A 14 3.086 8.637 4.148 1.00 0.00 C ATOM 221 C ILE A 14 3.430 9.398 5.429 1.00 0.00 C ATOM 222 O ILE A 14 4.262 8.951 6.214 1.00 0.00 O ATOM 223 CB ILE A 14 1.914 7.679 4.417 1.00 0.00 C ATOM 224 CG1 ILE A 14 1.529 6.931 3.131 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.707 8.448 4.975 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.372 5.954 3.340 1.00 0.00 C ATOM 0 H ILE A 14 4.825 7.523 4.458 1.00 0.00 H new ATOM 0 HA ILE A 14 2.804 9.352 3.375 1.00 0.00 H new ATOM 0 HB ILE A 14 2.229 6.948 5.162 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.254 7.654 2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.397 6.386 2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.113 7.754 5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.986 8.936 5.909 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.390 9.201 4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.143 5.454 2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.653 5.211 4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.507 6.499 3.684 1.00 0.00 H new ATOM 238 N GLY A 15 2.783 10.548 5.638 1.00 0.00 N ATOM 239 CA GLY A 15 2.828 11.308 6.882 1.00 0.00 C ATOM 240 C GLY A 15 4.232 11.700 7.346 1.00 0.00 C ATOM 241 O GLY A 15 4.388 12.103 8.497 1.00 0.00 O ATOM 0 H GLY A 15 2.199 10.985 4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.235 12.215 6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.352 10.721 7.667 1.00 0.00 H new ATOM 245 N ASP A 16 5.239 11.580 6.477 1.00 0.00 N ATOM 246 CA ASP A 16 6.632 11.886 6.788 1.00 0.00 C ATOM 247 C ASP A 16 7.173 11.116 8.004 1.00 0.00 C ATOM 248 O ASP A 16 8.249 11.443 8.502 1.00 0.00 O ATOM 249 CB ASP A 16 6.819 13.399 6.940 1.00 0.00 C ATOM 250 CG ASP A 16 6.345 14.146 5.693 1.00 0.00 C ATOM 251 OD1 ASP A 16 7.017 14.001 4.648 1.00 0.00 O ATOM 252 OD2 ASP A 16 5.320 14.858 5.793 1.00 0.00 O ATOM 0 H ASP A 16 5.103 11.260 5.518 1.00 0.00 H new ATOM 0 HA ASP A 16 7.230 11.541 5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.264 13.750 7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.871 13.621 7.122 1.00 0.00 H new ATOM 257 N ASP A 17 6.449 10.098 8.490 1.00 0.00 N ATOM 258 CA ASP A 17 6.903 9.238 9.578 1.00 0.00 C ATOM 259 C ASP A 17 6.480 7.788 9.336 1.00 0.00 C ATOM 260 O ASP A 17 6.613 6.951 10.228 1.00 0.00 O ATOM 261 CB ASP A 17 6.358 9.705 10.937 1.00 0.00 C ATOM 262 CG ASP A 17 6.810 11.120 11.300 1.00 0.00 C ATOM 263 OD1 ASP A 17 8.010 11.276 11.620 1.00 0.00 O ATOM 264 OD2 ASP A 17 5.955 12.034 11.256 1.00 0.00 O ATOM 0 H ASP A 17 5.526 9.851 8.133 1.00 0.00 H new ATOM 0 HA ASP A 17 7.991 9.301 9.601 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.269 9.670 10.918 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.686 9.013 11.713 1.00 0.00 H new ATOM 269 N ILE A 18 5.970 7.481 8.135 1.00 0.00 N ATOM 270 CA ILE A 18 5.505 6.150 7.795 1.00 0.00 C ATOM 271 C ILE A 18 6.082 5.736 6.446 1.00 0.00 C ATOM 272 O ILE A 18 6.341 6.569 5.579 1.00 0.00 O ATOM 273 CB ILE A 18 3.965 6.100 7.772 1.00 0.00 C ATOM 274 CG1 ILE A 18 3.350 6.499 9.121 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.484 4.687 7.420 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.018 7.992 9.162 1.00 0.00 C ATOM 0 H ILE A 18 5.873 8.158 7.378 1.00 0.00 H new ATOM 0 HA ILE A 18 5.848 5.449 8.555 1.00 0.00 H new ATOM 0 HB ILE A 18 3.641 6.816 7.017 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.444 5.918 9.296 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.045 6.257 9.925 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.394 4.666 7.407 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.864 4.408 6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.852 3.981 8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.584 8.242 10.130 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.929 8.572 9.012 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.304 8.228 8.373 1.00 0.00 H new ATOM 288 N THR A 19 6.276 4.426 6.283 1.00 0.00 N ATOM 289 CA THR A 19 6.771 3.833 5.058 1.00 0.00 C ATOM 290 C THR A 19 5.962 2.578 4.772 1.00 0.00 C ATOM 291 O THR A 19 5.486 1.921 5.698 1.00 0.00 O ATOM 292 CB THR A 19 8.257 3.485 5.213 1.00 0.00 C ATOM 293 OG1 THR A 19 8.986 4.616 5.633 1.00 0.00 O ATOM 294 CG2 THR A 19 8.859 2.987 3.898 1.00 0.00 C ATOM 0 H THR A 19 6.088 3.743 7.017 1.00 0.00 H new ATOM 0 HA THR A 19 6.668 4.534 4.230 1.00 0.00 H new ATOM 0 HB THR A 19 8.322 2.693 5.959 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.932 4.378 5.729 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.913 2.750 4.047 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.329 2.093 3.571 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.765 3.763 3.138 1.00 0.00 H new ATOM 302 N ILE A 20 5.808 2.248 3.490 1.00 0.00 N ATOM 303 CA ILE A 20 5.057 1.094 3.027 1.00 0.00 C ATOM 304 C ILE A 20 5.914 0.380 1.989 1.00 0.00 C ATOM 305 O ILE A 20 6.670 1.028 1.264 1.00 0.00 O ATOM 306 CB ILE A 20 3.730 1.558 2.404 1.00 0.00 C ATOM 307 CG1 ILE A 20 2.884 2.397 3.376 1.00 0.00 C ATOM 308 CG2 ILE A 20 2.925 0.357 1.906 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.366 1.592 4.566 1.00 0.00 C ATOM 0 H ILE A 20 6.215 2.793 2.730 1.00 0.00 H new ATOM 0 HA ILE A 20 4.825 0.420 3.851 1.00 0.00 H new ATOM 0 HB ILE A 20 3.983 2.200 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.482 3.232 3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.038 2.823 2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.989 0.703 1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.501 -0.180 1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.710 -0.309 2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.777 2.240 5.215 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.742 0.773 4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.209 1.188 5.126 1.00 0.00 H new ATOM 321 N THR A 21 5.807 -0.947 1.905 1.00 0.00 N ATOM 322 CA THR A 21 6.613 -1.721 0.972 1.00 0.00 C ATOM 323 C THR A 21 5.823 -2.916 0.462 1.00 0.00 C ATOM 324 O THR A 21 5.279 -3.688 1.248 1.00 0.00 O ATOM 325 CB THR A 21 7.881 -2.215 1.678 1.00 0.00 C ATOM 326 OG1 THR A 21 8.564 -1.139 2.280 1.00 0.00 O ATOM 327 CG2 THR A 21 8.835 -2.896 0.700 1.00 0.00 C ATOM 0 H THR A 21 5.169 -1.504 2.473 1.00 0.00 H new ATOM 0 HA THR A 21 6.884 -1.086 0.128 1.00 0.00 H new ATOM 0 HB THR A 21 7.564 -2.933 2.435 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.370 -1.472 2.727 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.723 -3.234 1.234 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.338 -3.752 0.244 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.126 -2.189 -0.077 1.00 0.00 H new ATOM 335 N ILE A 22 5.764 -3.073 -0.860 1.00 0.00 N ATOM 336 CA ILE A 22 5.155 -4.234 -1.485 1.00 0.00 C ATOM 337 C ILE A 22 6.163 -5.376 -1.399 1.00 0.00 C ATOM 338 O ILE A 22 7.058 -5.488 -2.233 1.00 0.00 O ATOM 339 CB ILE A 22 4.707 -3.888 -2.918 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.364 -5.138 -3.738 1.00 0.00 C ATOM 341 CG2 ILE A 22 5.760 -3.081 -3.683 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.300 -5.984 -3.051 1.00 0.00 C ATOM 0 H ILE A 22 6.139 -2.395 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 22 4.246 -4.551 -0.974 1.00 0.00 H new ATOM 0 HB ILE A 22 3.811 -3.280 -2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.012 -4.841 -4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.264 -5.735 -3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.394 -2.864 -4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.954 -2.146 -3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.682 -3.658 -3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.083 -6.861 -3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.663 -6.303 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.392 -5.395 -2.926 1.00 0.00 H new ATOM 354 N LEU A 23 6.022 -6.236 -0.383 1.00 0.00 N ATOM 355 CA LEU A 23 7.003 -7.278 -0.123 1.00 0.00 C ATOM 356 C LEU A 23 6.958 -8.355 -1.201 1.00 0.00 C ATOM 357 O LEU A 23 7.966 -9.010 -1.465 1.00 0.00 O ATOM 358 CB LEU A 23 6.762 -7.897 1.258 1.00 0.00 C ATOM 359 CG LEU A 23 6.652 -6.846 2.371 1.00 0.00 C ATOM 360 CD1 LEU A 23 6.632 -7.531 3.728 1.00 0.00 C ATOM 361 CD2 LEU A 23 7.825 -5.876 2.384 1.00 0.00 C ATOM 0 H LEU A 23 5.237 -6.225 0.268 1.00 0.00 H new ATOM 0 HA LEU A 23 7.994 -6.825 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.847 -8.488 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.577 -8.582 1.491 1.00 0.00 H new ATOM 0 HG LEU A 23 5.733 -6.294 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.554 -6.780 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.776 -8.204 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.551 -8.101 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.693 -5.156 3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.752 -6.428 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.871 -5.348 1.431 1.00 0.00 H new ATOM 373 N GLY A 24 5.794 -8.543 -1.830 1.00 0.00 N ATOM 374 CA GLY A 24 5.661 -9.462 -2.945 1.00 0.00 C ATOM 375 C GLY A 24 4.203 -9.795 -3.228 1.00 0.00 C ATOM 376 O GLY A 24 3.302 -9.285 -2.561 1.00 0.00 O ATOM 0 H GLY A 24 4.930 -8.064 -1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.114 -9.023 -3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.209 -10.379 -2.728 1.00 0.00 H new ATOM 380 N VAL A 25 3.961 -10.655 -4.223 1.00 0.00 N ATOM 381 CA VAL A 25 2.610 -11.101 -4.540 1.00 0.00 C ATOM 382 C VAL A 25 2.529 -12.621 -4.546 1.00 0.00 C ATOM 383 O VAL A 25 3.546 -13.312 -4.596 1.00 0.00 O ATOM 384 CB VAL A 25 2.133 -10.553 -5.888 1.00 0.00 C ATOM 385 CG1 VAL A 25 2.285 -9.035 -5.958 1.00 0.00 C ATOM 386 CG2 VAL A 25 2.890 -11.196 -7.049 1.00 0.00 C ATOM 0 H VAL A 25 4.686 -11.053 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 25 1.954 -10.710 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 25 1.076 -10.804 -5.975 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.937 -8.679 -6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.693 -8.573 -5.168 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.334 -8.768 -5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.528 -10.785 -7.991 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.955 -10.988 -6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.728 -12.274 -7.037 1.00 0.00 H new ATOM 396 N SER A 26 1.296 -13.125 -4.497 1.00 0.00 N ATOM 397 CA SER A 26 0.978 -14.540 -4.548 1.00 0.00 C ATOM 398 C SER A 26 -0.403 -14.664 -5.172 1.00 0.00 C ATOM 399 O SER A 26 -1.380 -14.957 -4.485 1.00 0.00 O ATOM 400 CB SER A 26 0.993 -15.151 -3.145 1.00 0.00 C ATOM 401 OG SER A 26 2.295 -15.114 -2.599 1.00 0.00 O ATOM 0 H SER A 26 0.468 -12.534 -4.418 1.00 0.00 H new ATOM 0 HA SER A 26 1.719 -15.079 -5.139 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.306 -14.605 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.640 -16.181 -3.188 1.00 0.00 H new ATOM 0 HG SER A 26 2.285 -15.507 -1.701 1.00 0.00 H new ATOM 407 N GLY A 27 -0.488 -14.436 -6.487 1.00 0.00 N ATOM 408 CA GLY A 27 -1.770 -14.408 -7.169 1.00 0.00 C ATOM 409 C GLY A 27 -2.526 -13.160 -6.744 1.00 0.00 C ATOM 410 O GLY A 27 -1.937 -12.088 -6.624 1.00 0.00 O ATOM 0 H GLY A 27 0.317 -14.270 -7.091 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.623 -14.410 -8.249 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.347 -15.300 -6.924 1.00 0.00 H new ATOM 414 N GLN A 28 -3.831 -13.294 -6.510 1.00 0.00 N ATOM 415 CA GLN A 28 -4.646 -12.179 -6.060 1.00 0.00 C ATOM 416 C GLN A 28 -4.260 -11.746 -4.644 1.00 0.00 C ATOM 417 O GLN A 28 -4.687 -10.678 -4.211 1.00 0.00 O ATOM 418 CB GLN A 28 -6.127 -12.559 -6.133 1.00 0.00 C ATOM 419 CG GLN A 28 -6.654 -12.417 -7.566 1.00 0.00 C ATOM 420 CD GLN A 28 -5.703 -13.006 -8.603 1.00 0.00 C ATOM 421 OE1 GLN A 28 -5.568 -14.221 -8.725 1.00 0.00 O ATOM 422 NE2 GLN A 28 -5.034 -12.134 -9.357 1.00 0.00 N ATOM 0 H GLN A 28 -4.343 -14.169 -6.627 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.467 -11.329 -6.719 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.261 -13.585 -5.791 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.704 -11.922 -5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.622 -12.912 -7.644 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.817 -11.362 -7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.174 -11.132 -9.225 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.382 -12.468 -10.066 1.00 0.00 H new ATOM 431 N GLN A 29 -3.467 -12.551 -3.921 1.00 0.00 N ATOM 432 CA GLN A 29 -3.000 -12.181 -2.599 1.00 0.00 C ATOM 433 C GLN A 29 -1.733 -11.343 -2.746 1.00 0.00 C ATOM 434 O GLN A 29 -0.976 -11.524 -3.698 1.00 0.00 O ATOM 435 CB GLN A 29 -2.712 -13.446 -1.788 1.00 0.00 C ATOM 436 CG GLN A 29 -2.716 -13.143 -0.289 1.00 0.00 C ATOM 437 CD GLN A 29 -4.098 -13.339 0.322 1.00 0.00 C ATOM 438 OE1 GLN A 29 -4.708 -12.394 0.813 1.00 0.00 O ATOM 439 NE2 GLN A 29 -4.598 -14.571 0.298 1.00 0.00 N ATOM 0 H GLN A 29 -3.141 -13.463 -4.241 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.760 -11.599 -2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.461 -14.205 -2.012 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.745 -13.857 -2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.000 -13.792 0.215 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.388 -12.117 -0.124 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.061 -15.331 -0.119 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.519 -14.756 0.697 1.00 0.00 H new ATOM 448 N VAL A 30 -1.495 -10.432 -1.804 1.00 0.00 N ATOM 449 CA VAL A 30 -0.346 -9.548 -1.840 1.00 0.00 C ATOM 450 C VAL A 30 0.189 -9.399 -0.421 1.00 0.00 C ATOM 451 O VAL A 30 -0.579 -9.069 0.484 1.00 0.00 O ATOM 452 CB VAL A 30 -0.794 -8.192 -2.396 1.00 0.00 C ATOM 453 CG1 VAL A 30 0.397 -7.249 -2.503 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.398 -8.329 -3.794 1.00 0.00 C ATOM 0 H VAL A 30 -2.099 -10.291 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 30 0.442 -9.949 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.544 -7.800 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.066 -6.289 -2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.835 -7.103 -1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.143 -7.680 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.704 -7.347 -4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.655 -8.750 -4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.266 -8.987 -3.753 1.00 0.00 H new ATOM 464 N ARG A 31 1.491 -9.639 -0.215 1.00 0.00 N ATOM 465 CA ARG A 31 2.096 -9.454 1.097 1.00 0.00 C ATOM 466 C ARG A 31 2.711 -8.066 1.132 1.00 0.00 C ATOM 467 O ARG A 31 3.437 -7.670 0.217 1.00 0.00 O ATOM 468 CB ARG A 31 3.135 -10.540 1.401 1.00 0.00 C ATOM 469 CG ARG A 31 3.474 -10.523 2.900 1.00 0.00 C ATOM 470 CD ARG A 31 4.476 -11.614 3.293 1.00 0.00 C ATOM 471 NE ARG A 31 3.983 -12.948 2.918 1.00 0.00 N ATOM 472 CZ ARG A 31 4.460 -14.097 3.398 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.473 -14.115 4.260 1.00 0.00 N ATOM 474 NH2 ARG A 31 3.922 -15.250 3.015 1.00 0.00 N ATOM 0 H ARG A 31 2.135 -9.959 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 31 1.335 -9.544 1.872 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.747 -11.518 1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.036 -10.370 0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.883 -9.548 3.165 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.558 -10.652 3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.432 -11.426 2.805 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.654 -11.578 4.368 1.00 0.00 H new ATOM 0 HE ARG A 31 3.221 -12.998 2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.899 -13.240 4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.824 -15.004 4.616 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.145 -15.256 2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.286 -16.129 3.382 1.00 0.00 H new ATOM 488 N ILE A 32 2.410 -7.329 2.198 1.00 0.00 N ATOM 489 CA ILE A 32 2.765 -5.927 2.302 1.00 0.00 C ATOM 490 C ILE A 32 3.459 -5.689 3.634 1.00 0.00 C ATOM 491 O ILE A 32 3.203 -6.393 4.606 1.00 0.00 O ATOM 492 CB ILE A 32 1.498 -5.066 2.174 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.520 -5.645 1.138 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.897 -3.635 1.801 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.699 -4.750 0.911 1.00 0.00 C ATOM 0 H ILE A 32 1.913 -7.692 3.011 1.00 0.00 H new ATOM 0 HA ILE A 32 3.447 -5.648 1.499 1.00 0.00 H new ATOM 0 HB ILE A 32 0.981 -5.063 3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.042 -5.787 0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.187 -6.628 1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.002 -3.020 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.542 -3.223 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.432 -3.642 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.354 -5.209 0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.241 -4.628 1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.372 -3.774 0.552 1.00 0.00 H new ATOM 507 N GLY A 33 4.338 -4.688 3.665 1.00 0.00 N ATOM 508 CA GLY A 33 5.090 -4.301 4.846 1.00 0.00 C ATOM 509 C GLY A 33 4.739 -2.864 5.192 1.00 0.00 C ATOM 510 O GLY A 33 4.425 -2.066 4.310 1.00 0.00 O ATOM 0 H GLY A 33 4.548 -4.114 2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.851 -4.961 5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.160 -4.396 4.661 1.00 0.00 H new ATOM 514 N ILE A 34 4.792 -2.543 6.482 1.00 0.00 N ATOM 515 CA ILE A 34 4.482 -1.215 6.981 1.00 0.00 C ATOM 516 C ILE A 34 5.505 -0.883 8.047 1.00 0.00 C ATOM 517 O ILE A 34 5.931 -1.756 8.802 1.00 0.00 O ATOM 518 CB ILE A 34 3.055 -1.185 7.554 1.00 0.00 C ATOM 519 CG1 ILE A 34 2.042 -1.612 6.483 1.00 0.00 C ATOM 520 CG2 ILE A 34 2.732 0.216 8.075 1.00 0.00 C ATOM 521 CD1 ILE A 34 0.610 -1.648 7.017 1.00 0.00 C ATOM 0 H ILE A 34 5.054 -3.205 7.212 1.00 0.00 H new ATOM 0 HA ILE A 34 4.524 -0.477 6.180 1.00 0.00 H new ATOM 0 HB ILE A 34 2.991 -1.889 8.384 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.096 -0.922 5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.311 -2.598 6.105 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.720 0.229 8.479 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.440 0.485 8.859 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.806 0.934 7.258 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.068 -1.956 6.221 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.547 -2.358 7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.328 -0.656 7.370 1.00 0.00 H new ATOM 533 N ASN A 35 5.906 0.383 8.111 1.00 0.00 N ATOM 534 CA ASN A 35 6.935 0.807 9.037 1.00 0.00 C ATOM 535 C ASN A 35 6.623 2.204 9.556 1.00 0.00 C ATOM 536 O ASN A 35 6.797 3.200 8.851 1.00 0.00 O ATOM 537 CB ASN A 35 8.281 0.730 8.315 1.00 0.00 C ATOM 538 CG ASN A 35 9.456 0.703 9.278 1.00 0.00 C ATOM 539 OD1 ASN A 35 9.447 1.380 10.302 1.00 0.00 O ATOM 540 ND2 ASN A 35 10.471 -0.091 8.951 1.00 0.00 N ATOM 0 H ASN A 35 5.529 1.130 7.528 1.00 0.00 H new ATOM 0 HA ASN A 35 6.975 0.156 9.910 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.305 -0.164 7.692 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.382 1.586 7.648 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.285 -0.155 9.562 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.435 -0.636 8.089 1.00 0.00 H new ATOM 547 N ALA A 36 6.151 2.266 10.801 1.00 0.00 N ATOM 548 CA ALA A 36 5.785 3.503 11.466 1.00 0.00 C ATOM 549 C ALA A 36 6.054 3.354 12.960 1.00 0.00 C ATOM 550 O ALA A 36 6.108 2.228 13.459 1.00 0.00 O ATOM 551 CB ALA A 36 4.295 3.760 11.236 1.00 0.00 C ATOM 0 H ALA A 36 6.012 1.439 11.381 1.00 0.00 H new ATOM 0 HA ALA A 36 6.366 4.336 11.071 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.005 4.687 11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.101 3.843 10.167 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.716 2.933 11.647 1.00 0.00 H new ATOM 557 N PRO A 37 6.221 4.465 13.687 1.00 0.00 N ATOM 558 CA PRO A 37 6.399 4.427 15.123 1.00 0.00 C ATOM 559 C PRO A 37 5.148 3.822 15.759 1.00 0.00 C ATOM 560 O PRO A 37 4.045 4.017 15.258 1.00 0.00 O ATOM 561 CB PRO A 37 6.615 5.883 15.543 1.00 0.00 C ATOM 562 CG PRO A 37 6.018 6.709 14.402 1.00 0.00 C ATOM 563 CD PRO A 37 6.245 5.824 13.181 1.00 0.00 C ATOM 0 HA PRO A 37 7.243 3.814 15.441 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.120 6.100 16.490 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.674 6.103 15.679 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.959 6.912 14.562 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.515 7.674 14.299 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.468 5.979 12.432 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.198 6.049 12.703 1.00 0.00 H new ATOM 571 N LYS A 38 5.310 3.087 16.860 1.00 0.00 N ATOM 572 CA LYS A 38 4.185 2.452 17.543 1.00 0.00 C ATOM 573 C LYS A 38 3.200 3.501 18.065 1.00 0.00 C ATOM 574 O LYS A 38 2.113 3.171 18.535 1.00 0.00 O ATOM 575 CB LYS A 38 4.728 1.593 18.680 1.00 0.00 C ATOM 576 CG LYS A 38 3.807 0.411 19.002 1.00 0.00 C ATOM 577 CD LYS A 38 3.937 -0.721 17.992 1.00 0.00 C ATOM 578 CE LYS A 38 2.902 -1.808 18.295 1.00 0.00 C ATOM 579 NZ LYS A 38 3.147 -2.445 19.603 1.00 0.00 N ATOM 0 H LYS A 38 6.215 2.917 17.299 1.00 0.00 H new ATOM 0 HA LYS A 38 3.638 1.822 16.842 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.716 1.219 18.411 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.852 2.208 19.571 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.040 0.034 19.998 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.773 0.756 19.025 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.791 -0.338 16.982 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.942 -1.142 18.031 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.903 -1.372 18.284 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.929 -2.565 17.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.563 -3.302 19.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.152 -2.702 19.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.899 -1.781 20.364 1.00 0.00 H new ATOM 593 N ASP A 39 3.602 4.770 17.975 1.00 0.00 N ATOM 594 CA ASP A 39 2.826 5.948 18.325 1.00 0.00 C ATOM 595 C ASP A 39 1.623 6.148 17.396 1.00 0.00 C ATOM 596 O ASP A 39 0.803 7.034 17.638 1.00 0.00 O ATOM 597 CB ASP A 39 3.755 7.158 18.216 1.00 0.00 C ATOM 598 CG ASP A 39 4.763 7.190 19.364 1.00 0.00 C ATOM 599 OD1 ASP A 39 4.409 7.745 20.427 1.00 0.00 O ATOM 600 OD2 ASP A 39 5.877 6.658 19.171 1.00 0.00 O ATOM 0 H ASP A 39 4.533 5.011 17.635 1.00 0.00 H new ATOM 0 HA ASP A 39 2.434 5.826 19.335 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.286 7.127 17.264 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.164 8.074 18.222 1.00 0.00 H new ATOM 605 N VAL A 40 1.511 5.338 16.341 1.00 0.00 N ATOM 606 CA VAL A 40 0.376 5.376 15.422 1.00 0.00 C ATOM 607 C VAL A 40 -0.116 3.951 15.190 1.00 0.00 C ATOM 608 O VAL A 40 0.559 3.000 15.584 1.00 0.00 O ATOM 609 CB VAL A 40 0.747 6.061 14.099 1.00 0.00 C ATOM 610 CG1 VAL A 40 1.290 7.470 14.350 1.00 0.00 C ATOM 611 CG2 VAL A 40 1.808 5.283 13.323 1.00 0.00 C ATOM 0 H VAL A 40 2.210 4.635 16.101 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.425 5.968 15.865 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.170 6.101 13.511 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.546 7.936 13.399 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.531 8.068 14.854 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.180 7.411 14.976 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.037 5.807 12.395 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.712 5.200 13.926 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.433 4.286 13.093 1.00 0.00 H new ATOM 621 N ALA A 41 -1.282 3.792 14.559 1.00 0.00 N ATOM 622 CA ALA A 41 -1.893 2.482 14.415 1.00 0.00 C ATOM 623 C ALA A 41 -1.952 2.050 12.953 1.00 0.00 C ATOM 624 O ALA A 41 -1.995 2.895 12.063 1.00 0.00 O ATOM 625 CB ALA A 41 -3.293 2.530 15.023 1.00 0.00 C ATOM 0 H ALA A 41 -1.815 4.556 14.143 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.286 1.744 14.939 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.767 1.553 14.923 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.222 2.793 16.078 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.891 3.278 14.502 1.00 0.00 H new ATOM 631 N VAL A 42 -1.958 0.734 12.718 1.00 0.00 N ATOM 632 CA VAL A 42 -2.064 0.165 11.378 1.00 0.00 C ATOM 633 C VAL A 42 -2.831 -1.152 11.467 1.00 0.00 C ATOM 634 O VAL A 42 -2.486 -2.005 12.282 1.00 0.00 O ATOM 635 CB VAL A 42 -0.667 -0.066 10.763 1.00 0.00 C ATOM 636 CG1 VAL A 42 0.208 1.185 10.856 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.110 -1.200 11.434 1.00 0.00 C ATOM 0 H VAL A 42 -1.889 0.034 13.457 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.596 0.862 10.731 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.870 -0.328 9.724 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.183 0.981 10.412 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.271 2.004 10.320 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.336 1.462 11.902 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.082 -1.309 10.954 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.251 -0.969 12.490 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.449 -2.131 11.337 1.00 0.00 H new ATOM 647 N HIS A 43 -3.868 -1.335 10.645 1.00 0.00 N ATOM 648 CA HIS A 43 -4.592 -2.600 10.584 1.00 0.00 C ATOM 649 C HIS A 43 -5.337 -2.711 9.262 1.00 0.00 C ATOM 650 O HIS A 43 -5.521 -1.713 8.565 1.00 0.00 O ATOM 651 CB HIS A 43 -5.636 -2.719 11.706 1.00 0.00 C ATOM 652 CG HIS A 43 -5.272 -2.130 13.043 1.00 0.00 C ATOM 653 ND1 HIS A 43 -4.637 -2.812 14.082 1.00 0.00 N ATOM 654 CD2 HIS A 43 -5.514 -0.844 13.427 1.00 0.00 C ATOM 655 CE1 HIS A 43 -4.509 -1.918 15.072 1.00 0.00 C ATOM 656 NE2 HIS A 43 -5.019 -0.729 14.705 1.00 0.00 N ATOM 0 H HIS A 43 -4.223 -0.618 10.012 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.850 -3.391 10.691 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.555 -2.243 11.365 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -5.859 -3.776 11.851 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.334 -3.786 14.087 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.997 -0.072 12.845 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.059 -2.124 16.032 1.00 0.00 H new ATOM 664 N ARG A 44 -5.772 -3.925 8.910 1.00 0.00 N ATOM 665 CA ARG A 44 -6.651 -4.122 7.766 1.00 0.00 C ATOM 666 C ARG A 44 -7.977 -3.430 8.068 1.00 0.00 C ATOM 667 O ARG A 44 -8.322 -3.243 9.234 1.00 0.00 O ATOM 668 CB ARG A 44 -6.842 -5.620 7.513 1.00 0.00 C ATOM 669 CG ARG A 44 -5.500 -6.281 7.184 1.00 0.00 C ATOM 670 CD ARG A 44 -5.655 -7.794 7.033 1.00 0.00 C ATOM 671 NE ARG A 44 -6.046 -8.435 8.298 1.00 0.00 N ATOM 672 CZ ARG A 44 -5.212 -8.671 9.316 1.00 0.00 C ATOM 673 NH1 ARG A 44 -3.923 -8.356 9.233 1.00 0.00 N ATOM 674 NH2 ARG A 44 -5.672 -9.226 10.434 1.00 0.00 N ATOM 0 H ARG A 44 -5.527 -4.783 9.405 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.220 -3.692 6.862 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.281 -6.091 8.393 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.540 -5.770 6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.100 -5.859 6.262 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.780 -6.063 7.973 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.405 -8.008 6.271 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.715 -8.222 6.685 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.020 -8.719 8.406 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.556 -7.927 8.383 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.301 -8.543 10.019 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.659 -9.471 10.513 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.038 -9.407 11.212 1.00 0.00 H new ATOM 688 N GLU A 45 -8.731 -3.050 7.036 1.00 0.00 N ATOM 689 CA GLU A 45 -9.977 -2.313 7.214 1.00 0.00 C ATOM 690 C GLU A 45 -10.962 -3.073 8.103 1.00 0.00 C ATOM 691 O GLU A 45 -11.756 -2.458 8.811 1.00 0.00 O ATOM 692 CB GLU A 45 -10.564 -2.039 5.825 1.00 0.00 C ATOM 693 CG GLU A 45 -11.716 -1.033 5.848 1.00 0.00 C ATOM 694 CD GLU A 45 -13.033 -1.613 6.363 1.00 0.00 C ATOM 695 OE1 GLU A 45 -13.341 -2.773 6.002 1.00 0.00 O ATOM 696 OE2 GLU A 45 -13.722 -0.890 7.117 1.00 0.00 O ATOM 0 H GLU A 45 -8.496 -3.243 6.062 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.779 -1.371 7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.776 -1.665 5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.917 -2.976 5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.434 -0.186 6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.869 -0.648 4.840 1.00 0.00 H new ATOM 703 N GLU A 46 -10.919 -4.407 8.078 1.00 0.00 N ATOM 704 CA GLU A 46 -11.818 -5.218 8.890 1.00 0.00 C ATOM 705 C GLU A 46 -11.450 -5.143 10.366 1.00 0.00 C ATOM 706 O GLU A 46 -12.332 -5.157 11.225 1.00 0.00 O ATOM 707 CB GLU A 46 -11.751 -6.676 8.433 1.00 0.00 C ATOM 708 CG GLU A 46 -12.076 -6.804 6.946 1.00 0.00 C ATOM 709 CD GLU A 46 -12.098 -8.265 6.509 1.00 0.00 C ATOM 710 OE1 GLU A 46 -13.046 -8.978 6.908 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.159 -8.650 5.775 1.00 0.00 O ATOM 0 H GLU A 46 -10.270 -4.945 7.503 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.828 -4.829 8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.755 -7.075 8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.452 -7.275 9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.044 -6.346 6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.336 -6.258 6.361 1.00 0.00 H new ATOM 718 N ILE A 47 -10.152 -5.068 10.674 1.00 0.00 N ATOM 719 CA ILE A 47 -9.689 -5.063 12.053 1.00 0.00 C ATOM 720 C ILE A 47 -9.785 -3.652 12.624 1.00 0.00 C ATOM 721 O ILE A 47 -9.997 -3.471 13.820 1.00 0.00 O ATOM 722 CB ILE A 47 -8.235 -5.550 12.102 1.00 0.00 C ATOM 723 CG1 ILE A 47 -8.012 -6.819 11.271 1.00 0.00 C ATOM 724 CG2 ILE A 47 -7.819 -5.793 13.556 1.00 0.00 C ATOM 725 CD1 ILE A 47 -9.013 -7.934 11.576 1.00 0.00 C ATOM 0 H ILE A 47 -9.406 -5.010 9.981 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.313 -5.729 12.650 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.615 -4.768 11.663 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.074 -6.566 10.213 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.003 -7.189 11.452 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.786 -6.139 13.586 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.907 -4.864 14.120 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.468 -6.549 13.998 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.794 -8.800 10.951 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.936 -8.215 12.626 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.024 -7.583 11.368 1.00 0.00 H new ATOM 737 N TYR A 48 -9.630 -2.647 11.756 1.00 0.00 N ATOM 738 CA TYR A 48 -9.709 -1.244 12.122 1.00 0.00 C ATOM 739 C TYR A 48 -11.056 -0.914 12.760 1.00 0.00 C ATOM 740 O TYR A 48 -11.166 0.040 13.530 1.00 0.00 O ATOM 741 CB TYR A 48 -9.508 -0.430 10.846 1.00 0.00 C ATOM 742 CG TYR A 48 -9.762 1.045 11.012 1.00 0.00 C ATOM 743 CD1 TYR A 48 -8.745 1.900 11.464 1.00 0.00 C ATOM 744 CD2 TYR A 48 -11.033 1.556 10.716 1.00 0.00 C ATOM 745 CE1 TYR A 48 -8.997 3.272 11.616 1.00 0.00 C ATOM 746 CE2 TYR A 48 -11.289 2.924 10.859 1.00 0.00 C ATOM 747 CZ TYR A 48 -10.272 3.792 11.307 1.00 0.00 C ATOM 748 OH TYR A 48 -10.531 5.123 11.439 1.00 0.00 O ATOM 0 H TYR A 48 -9.443 -2.797 10.764 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.943 -1.005 12.859 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.487 -0.575 10.493 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.171 -0.817 10.072 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.768 1.502 11.695 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.816 0.893 10.377 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.216 3.929 11.969 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.268 3.316 10.626 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.114 5.458 12.260 1.00 0.00 H new ATOM 1601 N MET C 1 8.774 -3.318 11.549 1.00 0.00 N ATOM 1602 CA MET C 1 7.800 -3.573 10.470 1.00 0.00 C ATOM 1603 C MET C 1 6.522 -4.193 11.002 1.00 0.00 C ATOM 1604 O MET C 1 6.502 -4.746 12.097 1.00 0.00 O ATOM 1605 CB MET C 1 8.349 -4.561 9.444 1.00 0.00 C ATOM 1606 CG MET C 1 9.515 -4.023 8.626 1.00 0.00 C ATOM 1607 SD MET C 1 9.020 -2.984 7.239 1.00 0.00 S ATOM 1608 CE MET C 1 8.304 -4.315 6.246 1.00 0.00 C ATOM 0 H1 MET C 1 8.964 -2.297 11.611 1.00 0.00 H new ATOM 0 H2 MET C 1 8.386 -3.653 12.454 1.00 0.00 H new ATOM 0 H3 MET C 1 9.659 -3.824 11.344 1.00 0.00 H new ATOM 0 HA MET C 1 7.605 -2.600 10.019 1.00 0.00 H new ATOM 0 HB2 MET C 1 8.669 -5.466 9.961 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.545 -4.849 8.766 1.00 0.00 H new ATOM 0 HG2 MET C 1 10.171 -3.449 9.281 1.00 0.00 H new ATOM 0 HG3 MET C 1 10.098 -4.863 8.248 1.00 0.00 H new ATOM 0 HE1 MET C 1 8.296 -4.022 5.196 1.00 0.00 H new ATOM 0 HE2 MET C 1 8.901 -5.219 6.365 1.00 0.00 H new ATOM 0 HE3 MET C 1 7.283 -4.507 6.577 1.00 0.00 H new ATOM 1620 N LEU C 2 5.461 -4.099 10.202 1.00 0.00 N ATOM 1621 CA LEU C 2 4.219 -4.818 10.423 1.00 0.00 C ATOM 1622 C LEU C 2 3.798 -5.379 9.067 1.00 0.00 C ATOM 1623 O LEU C 2 3.472 -4.620 8.155 1.00 0.00 O ATOM 1624 CB LEU C 2 3.204 -3.855 11.054 1.00 0.00 C ATOM 1625 CG LEU C 2 1.883 -4.497 11.492 1.00 0.00 C ATOM 1626 CD1 LEU C 2 0.926 -4.688 10.321 1.00 0.00 C ATOM 1627 CD2 LEU C 2 2.097 -5.851 12.168 1.00 0.00 C ATOM 0 H LEU C 2 5.446 -3.510 9.370 1.00 0.00 H new ATOM 0 HA LEU C 2 4.309 -5.652 11.118 1.00 0.00 H new ATOM 0 HB2 LEU C 2 3.665 -3.383 11.921 1.00 0.00 H new ATOM 0 HB3 LEU C 2 2.985 -3.063 10.338 1.00 0.00 H new ATOM 0 HG LEU C 2 1.445 -3.803 12.209 1.00 0.00 H new ATOM 0 HD11 LEU C 2 0.003 -5.146 10.676 1.00 0.00 H new ATOM 0 HD12 LEU C 2 0.702 -3.720 9.873 1.00 0.00 H new ATOM 0 HD13 LEU C 2 1.388 -5.335 9.575 1.00 0.00 H new ATOM 0 HD21 LEU C 2 1.133 -6.268 12.461 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.590 -6.531 11.473 1.00 0.00 H new ATOM 0 HD23 LEU C 2 2.720 -5.721 13.053 1.00 0.00 H new ATOM 1639 N ILE C 3 3.811 -6.710 8.943 1.00 0.00 N ATOM 1640 CA ILE C 3 3.594 -7.414 7.688 1.00 0.00 C ATOM 1641 C ILE C 3 2.273 -8.169 7.742 1.00 0.00 C ATOM 1642 O ILE C 3 1.909 -8.729 8.777 1.00 0.00 O ATOM 1643 CB ILE C 3 4.746 -8.400 7.438 1.00 0.00 C ATOM 1644 CG1 ILE C 3 6.076 -7.675 7.227 1.00 0.00 C ATOM 1645 CG2 ILE C 3 4.497 -9.248 6.192 1.00 0.00 C ATOM 1646 CD1 ILE C 3 6.756 -7.438 8.567 1.00 0.00 C ATOM 0 H ILE C 3 3.977 -7.335 9.732 1.00 0.00 H new ATOM 0 HA ILE C 3 3.560 -6.690 6.874 1.00 0.00 H new ATOM 0 HB ILE C 3 4.794 -9.030 8.326 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.724 -8.267 6.580 1.00 0.00 H new ATOM 0 HG13 ILE C 3 5.905 -6.724 6.723 1.00 0.00 H new ATOM 0 HG21 ILE C 3 5.332 -9.934 6.046 1.00 0.00 H new ATOM 0 HG22 ILE C 3 3.577 -9.818 6.318 1.00 0.00 H new ATOM 0 HG23 ILE C 3 4.405 -8.598 5.322 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.703 -6.921 8.408 1.00 0.00 H new ATOM 0 HD12 ILE C 3 6.111 -6.828 9.199 1.00 0.00 H new ATOM 0 HD13 ILE C 3 6.942 -8.395 9.055 1.00 0.00 H new ATOM 1658 N LEU C 4 1.558 -8.184 6.615 1.00 0.00 N ATOM 1659 CA LEU C 4 0.290 -8.881 6.494 1.00 0.00 C ATOM 1660 C LEU C 4 -0.081 -9.072 5.021 1.00 0.00 C ATOM 1661 O LEU C 4 0.624 -8.587 4.134 1.00 0.00 O ATOM 1662 CB LEU C 4 -0.791 -8.131 7.292 1.00 0.00 C ATOM 1663 CG LEU C 4 -0.737 -6.601 7.175 1.00 0.00 C ATOM 1664 CD1 LEU C 4 -1.236 -6.109 5.820 1.00 0.00 C ATOM 1665 CD2 LEU C 4 -1.638 -6.013 8.255 1.00 0.00 C ATOM 0 H LEU C 4 1.850 -7.709 5.761 1.00 0.00 H new ATOM 0 HA LEU C 4 0.375 -9.880 6.921 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -1.771 -8.472 6.958 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -0.700 -8.404 8.343 1.00 0.00 H new ATOM 0 HG LEU C 4 0.301 -6.287 7.288 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -1.179 -5.021 5.784 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -0.616 -6.531 5.029 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -2.270 -6.423 5.677 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -1.617 -4.925 8.193 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -2.659 -6.365 8.109 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -1.283 -6.328 9.236 1.00 0.00 H new ATOM 1677 N THR C 5 -1.190 -9.772 4.755 1.00 0.00 N ATOM 1678 CA THR C 5 -1.678 -9.971 3.397 1.00 0.00 C ATOM 1679 C THR C 5 -3.091 -9.445 3.240 1.00 0.00 C ATOM 1680 O THR C 5 -3.855 -9.369 4.201 1.00 0.00 O ATOM 1681 CB THR C 5 -1.699 -11.457 2.995 1.00 0.00 C ATOM 1682 OG1 THR C 5 -2.344 -12.226 3.984 1.00 0.00 O ATOM 1683 CG2 THR C 5 -0.315 -12.037 2.734 1.00 0.00 C ATOM 0 H THR C 5 -1.766 -10.211 5.473 1.00 0.00 H new ATOM 0 HA THR C 5 -0.987 -9.426 2.754 1.00 0.00 H new ATOM 0 HB THR C 5 -2.250 -11.503 2.056 1.00 0.00 H new ATOM 0 HG1 THR C 5 -2.351 -13.168 3.713 1.00 0.00 H new ATOM 0 HG21 THR C 5 -0.407 -13.087 2.456 1.00 0.00 H new ATOM 0 HG22 THR C 5 0.163 -11.487 1.923 1.00 0.00 H new ATOM 0 HG23 THR C 5 0.291 -11.953 3.636 1.00 0.00 H new ATOM 1691 N ARG C 6 -3.412 -9.083 1.997 1.00 0.00 N ATOM 1692 CA ARG C 6 -4.731 -8.665 1.548 1.00 0.00 C ATOM 1693 C ARG C 6 -4.878 -9.116 0.103 1.00 0.00 C ATOM 1694 O ARG C 6 -3.894 -9.517 -0.519 1.00 0.00 O ATOM 1695 CB ARG C 6 -4.858 -7.137 1.623 1.00 0.00 C ATOM 1696 CG ARG C 6 -5.109 -6.585 3.031 1.00 0.00 C ATOM 1697 CD ARG C 6 -6.596 -6.399 3.340 1.00 0.00 C ATOM 1698 NE ARG C 6 -7.335 -7.667 3.358 1.00 0.00 N ATOM 1699 CZ ARG C 6 -8.497 -7.849 3.990 1.00 0.00 C ATOM 1700 NH1 ARG C 6 -9.096 -6.847 4.625 1.00 0.00 N ATOM 1701 NH2 ARG C 6 -9.075 -9.045 3.999 1.00 0.00 N ATOM 0 H ARG C 6 -2.724 -9.075 1.244 1.00 0.00 H new ATOM 0 HA ARG C 6 -5.505 -9.103 2.179 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -3.945 -6.690 1.229 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -5.674 -6.821 0.973 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -4.672 -7.262 3.765 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -4.598 -5.628 3.137 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -6.703 -5.907 4.307 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -7.037 -5.737 2.595 1.00 0.00 H new ATOM 0 HE ARG C 6 -6.935 -8.460 2.856 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -8.668 -5.921 4.635 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -9.984 -7.004 5.103 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -8.631 -9.830 3.522 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -9.963 -9.179 4.483 1.00 0.00 H new ATOM 1715 N LYS C 7 -6.097 -9.055 -0.435 1.00 0.00 N ATOM 1716 CA LYS C 7 -6.320 -9.371 -1.837 1.00 0.00 C ATOM 1717 C LYS C 7 -6.790 -8.140 -2.586 1.00 0.00 C ATOM 1718 O LYS C 7 -7.248 -7.172 -1.983 1.00 0.00 O ATOM 1719 CB LYS C 7 -7.330 -10.503 -2.019 1.00 0.00 C ATOM 1720 CG LYS C 7 -6.719 -11.876 -1.756 1.00 0.00 C ATOM 1721 CD LYS C 7 -7.612 -12.962 -2.349 1.00 0.00 C ATOM 1722 CE LYS C 7 -6.850 -14.281 -2.343 1.00 0.00 C ATOM 1723 NZ LYS C 7 -7.710 -15.393 -2.774 1.00 0.00 N ATOM 0 H LYS C 7 -6.937 -8.791 0.079 1.00 0.00 H new ATOM 0 HA LYS C 7 -5.367 -9.707 -2.246 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -8.171 -10.347 -1.344 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -7.726 -10.473 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -5.723 -11.931 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -6.603 -12.033 -0.684 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -8.530 -13.054 -1.769 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -7.902 -12.698 -3.366 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -5.986 -14.208 -3.004 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -6.469 -14.479 -1.341 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -7.165 -16.279 -2.760 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -8.521 -15.475 -2.128 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -8.053 -15.213 -3.739 1.00 0.00 H new ATOM 1737 N VAL C 8 -6.677 -8.184 -3.915 1.00 0.00 N ATOM 1738 CA VAL C 8 -7.089 -7.080 -4.768 1.00 0.00 C ATOM 1739 C VAL C 8 -8.540 -6.702 -4.496 1.00 0.00 C ATOM 1740 O VAL C 8 -9.431 -7.550 -4.519 1.00 0.00 O ATOM 1741 CB VAL C 8 -6.842 -7.438 -6.237 1.00 0.00 C ATOM 1742 CG1 VAL C 8 -5.340 -7.578 -6.471 1.00 0.00 C ATOM 1743 CG2 VAL C 8 -7.505 -8.749 -6.659 1.00 0.00 C ATOM 0 H VAL C 8 -6.299 -8.984 -4.423 1.00 0.00 H new ATOM 0 HA VAL C 8 -6.489 -6.200 -4.539 1.00 0.00 H new ATOM 0 HB VAL C 8 -7.278 -6.635 -6.831 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -5.157 -7.833 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -4.846 -6.636 -6.235 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -4.944 -8.366 -5.830 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -7.291 -8.943 -7.710 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -7.115 -9.566 -6.052 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -8.583 -8.674 -6.516 1.00 0.00 H new ATOM 1753 N GLY C 9 -8.769 -5.412 -4.236 1.00 0.00 N ATOM 1754 CA GLY C 9 -10.089 -4.866 -3.966 1.00 0.00 C ATOM 1755 C GLY C 9 -10.311 -4.598 -2.477 1.00 0.00 C ATOM 1756 O GLY C 9 -11.253 -3.893 -2.120 1.00 0.00 O ATOM 0 H GLY C 9 -8.027 -4.712 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -10.217 -3.938 -4.523 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -10.848 -5.561 -4.325 1.00 0.00 H new ATOM 1760 N GLU C 10 -9.460 -5.153 -1.604 1.00 0.00 N ATOM 1761 CA GLU C 10 -9.566 -4.960 -0.163 1.00 0.00 C ATOM 1762 C GLU C 10 -8.872 -3.667 0.265 1.00 0.00 C ATOM 1763 O GLU C 10 -8.294 -2.961 -0.565 1.00 0.00 O ATOM 1764 CB GLU C 10 -8.953 -6.158 0.569 1.00 0.00 C ATOM 1765 CG GLU C 10 -9.668 -7.466 0.213 1.00 0.00 C ATOM 1766 CD GLU C 10 -11.150 -7.414 0.581 1.00 0.00 C ATOM 1767 OE1 GLU C 10 -11.443 -7.140 1.768 1.00 0.00 O ATOM 1768 OE2 GLU C 10 -11.983 -7.645 -0.326 1.00 0.00 O ATOM 0 H GLU C 10 -8.680 -5.748 -1.883 1.00 0.00 H new ATOM 0 HA GLU C 10 -10.621 -4.882 0.100 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -7.897 -6.239 0.313 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -9.008 -5.994 1.645 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -9.564 -7.659 -0.855 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.192 -8.296 0.735 1.00 0.00 H new ATOM 1775 N SER C 11 -8.929 -3.350 1.564 1.00 0.00 N ATOM 1776 CA SER C 11 -8.405 -2.095 2.085 1.00 0.00 C ATOM 1777 C SER C 11 -7.681 -2.278 3.414 1.00 0.00 C ATOM 1778 O SER C 11 -7.781 -3.323 4.061 1.00 0.00 O ATOM 1779 CB SER C 11 -9.556 -1.099 2.257 1.00 0.00 C ATOM 1780 OG SER C 11 -10.257 -0.922 1.044 1.00 0.00 O ATOM 0 H SER C 11 -9.338 -3.956 2.275 1.00 0.00 H new ATOM 0 HA SER C 11 -7.677 -1.716 1.368 1.00 0.00 H new ATOM 0 HB2 SER C 11 -10.239 -1.457 3.027 1.00 0.00 H new ATOM 0 HB3 SER C 11 -9.165 -0.141 2.598 1.00 0.00 H new ATOM 0 HG SER C 11 -10.988 -0.283 1.179 1.00 0.00 H new ATOM 1786 N ILE C 12 -6.944 -1.235 3.810 1.00 0.00 N ATOM 1787 CA ILE C 12 -6.145 -1.173 5.029 1.00 0.00 C ATOM 1788 C ILE C 12 -6.265 0.252 5.573 1.00 0.00 C ATOM 1789 O ILE C 12 -6.748 1.144 4.872 1.00 0.00 O ATOM 1790 CB ILE C 12 -4.680 -1.540 4.711 1.00 0.00 C ATOM 1791 CG1 ILE C 12 -4.609 -2.870 3.949 1.00 0.00 C ATOM 1792 CG2 ILE C 12 -3.819 -1.642 5.978 1.00 0.00 C ATOM 1793 CD1 ILE C 12 -3.164 -3.254 3.630 1.00 0.00 C ATOM 0 H ILE C 12 -6.889 -0.376 3.263 1.00 0.00 H new ATOM 0 HA ILE C 12 -6.497 -1.883 5.777 1.00 0.00 H new ATOM 0 HB ILE C 12 -4.284 -0.735 4.092 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -5.073 -3.657 4.543 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -5.179 -2.791 3.023 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.797 -1.902 5.703 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -3.822 -0.684 6.498 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -4.226 -2.412 6.633 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -3.150 -4.201 3.090 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -2.709 -2.478 3.014 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -2.602 -3.357 4.558 1.00 0.00 H new ATOM 1805 N ASN C 13 -5.834 0.488 6.812 1.00 0.00 N ATOM 1806 CA ASN C 13 -5.946 1.797 7.440 1.00 0.00 C ATOM 1807 C ASN C 13 -4.705 2.126 8.263 1.00 0.00 C ATOM 1808 O ASN C 13 -3.997 1.231 8.724 1.00 0.00 O ATOM 1809 CB ASN C 13 -7.186 1.834 8.331 1.00 0.00 C ATOM 1810 CG ASN C 13 -8.458 1.889 7.501 1.00 0.00 C ATOM 1811 OD1 ASN C 13 -9.043 0.864 7.171 1.00 0.00 O ATOM 1812 ND2 ASN C 13 -8.891 3.097 7.154 1.00 0.00 N ATOM 0 H ASN C 13 -5.400 -0.221 7.403 1.00 0.00 H new ATOM 0 HA ASN C 13 -6.036 2.546 6.653 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -7.204 0.952 8.971 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -7.139 2.703 8.988 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -9.738 3.194 6.594 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -8.376 3.927 7.448 1.00 0.00 H new ATOM 1819 N ILE C 14 -4.457 3.428 8.433 1.00 0.00 N ATOM 1820 CA ILE C 14 -3.325 3.947 9.190 1.00 0.00 C ATOM 1821 C ILE C 14 -3.790 5.150 10.004 1.00 0.00 C ATOM 1822 O ILE C 14 -4.597 5.955 9.534 1.00 0.00 O ATOM 1823 CB ILE C 14 -2.188 4.341 8.236 1.00 0.00 C ATOM 1824 CG1 ILE C 14 -1.752 3.130 7.404 1.00 0.00 C ATOM 1825 CG2 ILE C 14 -1.005 4.897 9.037 1.00 0.00 C ATOM 1826 CD1 ILE C 14 -0.656 3.486 6.398 1.00 0.00 C ATOM 0 H ILE C 14 -5.050 4.159 8.040 1.00 0.00 H new ATOM 0 HA ILE C 14 -2.945 3.180 9.865 1.00 0.00 H new ATOM 0 HB ILE C 14 -2.545 5.115 7.556 1.00 0.00 H new ATOM 0 HG12 ILE C 14 -1.392 2.345 8.069 1.00 0.00 H new ATOM 0 HG13 ILE C 14 -2.614 2.727 6.872 1.00 0.00 H new ATOM 0 HG21 ILE C 14 -0.202 5.175 8.354 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -1.325 5.776 9.597 1.00 0.00 H new ATOM 0 HG23 ILE C 14 -0.645 4.137 9.730 1.00 0.00 H new ATOM 0 HD11 ILE C 14 -0.379 2.597 5.832 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -1.024 4.252 5.715 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.217 3.864 6.930 1.00 0.00 H new ATOM 1838 N GLY C 15 -3.275 5.269 11.233 1.00 0.00 N ATOM 1839 CA GLY C 15 -3.666 6.340 12.134 1.00 0.00 C ATOM 1840 C GLY C 15 -5.179 6.326 12.322 1.00 0.00 C ATOM 1841 O GLY C 15 -5.780 5.274 12.544 1.00 0.00 O ATOM 0 H GLY C 15 -2.583 4.628 11.621 1.00 0.00 H new ATOM 0 HA2 GLY C 15 -3.169 6.218 13.096 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -3.349 7.302 11.731 1.00 0.00 H new ATOM 1845 N ASP C 16 -5.791 7.504 12.231 1.00 0.00 N ATOM 1846 CA ASP C 16 -7.236 7.656 12.323 1.00 0.00 C ATOM 1847 C ASP C 16 -7.713 8.652 11.261 1.00 0.00 C ATOM 1848 O ASP C 16 -8.822 9.175 11.340 1.00 0.00 O ATOM 1849 CB ASP C 16 -7.602 8.087 13.743 1.00 0.00 C ATOM 1850 CG ASP C 16 -9.114 8.167 13.957 1.00 0.00 C ATOM 1851 OD1 ASP C 16 -9.818 7.248 13.486 1.00 0.00 O ATOM 1852 OD2 ASP C 16 -9.555 9.151 14.594 1.00 0.00 O ATOM 0 H ASP C 16 -5.293 8.383 12.091 1.00 0.00 H new ATOM 0 HA ASP C 16 -7.741 6.710 12.126 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -7.174 7.382 14.455 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -7.157 9.060 13.951 1.00 0.00 H new ATOM 1857 N ASP C 17 -6.867 8.914 10.260 1.00 0.00 N ATOM 1858 CA ASP C 17 -7.158 9.868 9.197 1.00 0.00 C ATOM 1859 C ASP C 17 -6.641 9.384 7.845 1.00 0.00 C ATOM 1860 O ASP C 17 -6.698 10.138 6.874 1.00 0.00 O ATOM 1861 CB ASP C 17 -6.539 11.228 9.538 1.00 0.00 C ATOM 1862 CG ASP C 17 -7.074 11.788 10.853 1.00 0.00 C ATOM 1863 OD1 ASP C 17 -8.168 12.393 10.811 1.00 0.00 O ATOM 1864 OD2 ASP C 17 -6.391 11.607 11.889 1.00 0.00 O ATOM 0 H ASP C 17 -5.956 8.465 10.168 1.00 0.00 H new ATOM 0 HA ASP C 17 -8.241 9.965 9.121 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.456 11.127 9.601 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -6.747 11.933 8.733 1.00 0.00 H new ATOM 1869 N ILE C 18 -6.139 8.147 7.752 1.00 0.00 N ATOM 1870 CA ILE C 18 -5.611 7.634 6.493 1.00 0.00 C ATOM 1871 C ILE C 18 -6.207 6.264 6.182 1.00 0.00 C ATOM 1872 O ILE C 18 -6.501 5.478 7.086 1.00 0.00 O ATOM 1873 CB ILE C 18 -4.078 7.578 6.536 1.00 0.00 C ATOM 1874 CG1 ILE C 18 -3.460 8.959 6.795 1.00 0.00 C ATOM 1875 CG2 ILE C 18 -3.540 7.049 5.203 1.00 0.00 C ATOM 1876 CD1 ILE C 18 -3.201 9.175 8.286 1.00 0.00 C ATOM 0 H ILE C 18 -6.090 7.490 8.531 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.898 8.314 5.691 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.803 6.914 7.356 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -2.525 9.052 6.243 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -4.128 9.736 6.423 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -2.451 7.011 5.239 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.932 6.048 5.024 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -3.853 7.711 4.396 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -2.763 10.161 8.440 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.142 9.106 8.832 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.513 8.412 8.650 1.00 0.00 H new ATOM 1888 N THR C 19 -6.381 5.985 4.891 1.00 0.00 N ATOM 1889 CA THR C 19 -6.893 4.716 4.393 1.00 0.00 C ATOM 1890 C THR C 19 -6.070 4.318 3.171 1.00 0.00 C ATOM 1891 O THR C 19 -5.499 5.178 2.504 1.00 0.00 O ATOM 1892 CB THR C 19 -8.374 4.860 4.039 1.00 0.00 C ATOM 1893 OG1 THR C 19 -9.100 5.335 5.152 1.00 0.00 O ATOM 1894 CG2 THR C 19 -8.987 3.528 3.612 1.00 0.00 C ATOM 0 H THR C 19 -6.164 6.651 4.149 1.00 0.00 H new ATOM 0 HA THR C 19 -6.808 3.940 5.153 1.00 0.00 H new ATOM 0 HB THR C 19 -8.433 5.565 3.210 1.00 0.00 H new ATOM 0 HG1 THR C 19 -10.046 5.424 4.912 1.00 0.00 H new ATOM 0 HG21 THR C 19 -10.040 3.673 3.369 1.00 0.00 H new ATOM 0 HG22 THR C 19 -8.461 3.150 2.735 1.00 0.00 H new ATOM 0 HG23 THR C 19 -8.898 2.809 4.426 1.00 0.00 H new ATOM 1902 N ILE C 20 -6.011 3.017 2.879 1.00 0.00 N ATOM 1903 CA ILE C 20 -5.225 2.462 1.790 1.00 0.00 C ATOM 1904 C ILE C 20 -6.074 1.410 1.085 1.00 0.00 C ATOM 1905 O ILE C 20 -6.868 0.731 1.734 1.00 0.00 O ATOM 1906 CB ILE C 20 -3.959 1.804 2.366 1.00 0.00 C ATOM 1907 CG1 ILE C 20 -3.117 2.755 3.225 1.00 0.00 C ATOM 1908 CG2 ILE C 20 -3.100 1.213 1.243 1.00 0.00 C ATOM 1909 CD1 ILE C 20 -2.457 3.865 2.409 1.00 0.00 C ATOM 0 H ILE C 20 -6.522 2.310 3.408 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.933 3.243 1.088 1.00 0.00 H new ATOM 0 HB ILE C 20 -4.304 1.007 3.024 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -3.751 3.202 3.991 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -2.346 2.183 3.742 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -2.209 0.752 1.670 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -3.675 0.460 0.703 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.804 2.006 0.556 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -1.875 4.506 3.071 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -1.799 3.424 1.660 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.225 4.458 1.913 1.00 0.00 H new ATOM 1921 N THR C 21 -5.915 1.264 -0.232 1.00 0.00 N ATOM 1922 CA THR C 21 -6.667 0.274 -0.987 1.00 0.00 C ATOM 1923 C THR C 21 -5.770 -0.367 -2.039 1.00 0.00 C ATOM 1924 O THR C 21 -5.109 0.331 -2.806 1.00 0.00 O ATOM 1925 CB THR C 21 -7.869 0.945 -1.662 1.00 0.00 C ATOM 1926 OG1 THR C 21 -8.581 1.731 -0.729 1.00 0.00 O ATOM 1927 CG2 THR C 21 -8.824 -0.106 -2.232 1.00 0.00 C ATOM 0 H THR C 21 -5.271 1.821 -0.793 1.00 0.00 H new ATOM 0 HA THR C 21 -7.024 -0.500 -0.308 1.00 0.00 H new ATOM 0 HB THR C 21 -7.488 1.573 -2.467 1.00 0.00 H new ATOM 0 HG1 THR C 21 -9.345 2.155 -1.174 1.00 0.00 H new ATOM 0 HG21 THR C 21 -9.670 0.391 -2.707 1.00 0.00 H new ATOM 0 HG22 THR C 21 -8.299 -0.713 -2.970 1.00 0.00 H new ATOM 0 HG23 THR C 21 -9.184 -0.746 -1.426 1.00 0.00 H new ATOM 1935 N ILE C 22 -5.753 -1.701 -2.073 1.00 0.00 N ATOM 1936 CA ILE C 22 -5.014 -2.456 -3.075 1.00 0.00 C ATOM 1937 C ILE C 22 -5.899 -2.568 -4.311 1.00 0.00 C ATOM 1938 O ILE C 22 -6.744 -3.455 -4.408 1.00 0.00 O ATOM 1939 CB ILE C 22 -4.570 -3.811 -2.497 1.00 0.00 C ATOM 1940 CG1 ILE C 22 -4.048 -4.760 -3.579 1.00 0.00 C ATOM 1941 CG2 ILE C 22 -5.690 -4.521 -1.728 1.00 0.00 C ATOM 1942 CD1 ILE C 22 -2.924 -4.136 -4.395 1.00 0.00 C ATOM 0 H ILE C 22 -6.254 -2.285 -1.403 1.00 0.00 H new ATOM 0 HA ILE C 22 -4.092 -1.954 -3.367 1.00 0.00 H new ATOM 0 HB ILE C 22 -3.763 -3.570 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -3.690 -5.678 -3.113 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.867 -5.037 -4.243 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -5.321 -5.471 -1.343 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.015 -3.894 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -6.532 -4.703 -2.396 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -2.585 -4.845 -5.150 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.288 -3.232 -4.884 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.093 -3.883 -3.736 1.00 0.00 H new ATOM 1954 N LEU C 23 -5.702 -1.653 -5.265 1.00 0.00 N ATOM 1955 CA LEU C 23 -6.609 -1.526 -6.398 1.00 0.00 C ATOM 1956 C LEU C 23 -6.515 -2.721 -7.345 1.00 0.00 C ATOM 1957 O LEU C 23 -7.504 -3.062 -7.993 1.00 0.00 O ATOM 1958 CB LEU C 23 -6.322 -0.230 -7.153 1.00 0.00 C ATOM 1959 CG LEU C 23 -6.214 0.985 -6.222 1.00 0.00 C ATOM 1960 CD1 LEU C 23 -6.128 2.253 -7.054 1.00 0.00 C ATOM 1961 CD2 LEU C 23 -7.412 1.121 -5.288 1.00 0.00 C ATOM 0 H LEU C 23 -4.924 -0.994 -5.271 1.00 0.00 H new ATOM 0 HA LEU C 23 -7.626 -1.502 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.393 -0.338 -7.712 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.114 -0.055 -7.881 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.320 0.837 -5.616 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.051 3.117 -6.394 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -5.248 2.208 -7.696 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.023 2.345 -7.670 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.281 1.997 -4.653 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.322 1.233 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.491 0.230 -4.665 1.00 0.00 H new ATOM 1973 N GLY C 24 -5.346 -3.359 -7.437 1.00 0.00 N ATOM 1974 CA GLY C 24 -5.196 -4.544 -8.268 1.00 0.00 C ATOM 1975 C GLY C 24 -3.739 -4.885 -8.540 1.00 0.00 C ATOM 1976 O GLY C 24 -2.834 -4.239 -8.015 1.00 0.00 O ATOM 0 H GLY C 24 -4.498 -3.073 -6.948 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -5.678 -5.390 -7.779 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.712 -4.387 -9.215 1.00 0.00 H new ATOM 1980 N VAL C 25 -3.518 -5.907 -9.369 1.00 0.00 N ATOM 1981 CA VAL C 25 -2.178 -6.310 -9.778 1.00 0.00 C ATOM 1982 C VAL C 25 -2.068 -6.327 -11.298 1.00 0.00 C ATOM 1983 O VAL C 25 -3.072 -6.337 -12.007 1.00 0.00 O ATOM 1984 CB VAL C 25 -1.795 -7.683 -9.212 1.00 0.00 C ATOM 1985 CG1 VAL C 25 -1.871 -7.691 -7.683 1.00 0.00 C ATOM 1986 CG2 VAL C 25 -2.669 -8.793 -9.795 1.00 0.00 C ATOM 0 H VAL C 25 -4.263 -6.475 -9.773 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.482 -5.576 -9.373 1.00 0.00 H new ATOM 0 HB VAL C 25 -0.763 -7.877 -9.506 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -1.594 -8.677 -7.310 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -1.185 -6.945 -7.281 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -2.888 -7.456 -7.368 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -2.370 -9.752 -9.372 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -3.714 -8.599 -9.552 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -2.548 -8.821 -10.878 1.00 0.00 H new ATOM 1996 N SER C 26 -0.827 -6.333 -11.776 1.00 0.00 N ATOM 1997 CA SER C 26 -0.479 -6.379 -13.181 1.00 0.00 C ATOM 1998 C SER C 26 0.878 -7.069 -13.259 1.00 0.00 C ATOM 1999 O SER C 26 1.893 -6.454 -13.588 1.00 0.00 O ATOM 2000 CB SER C 26 -0.455 -4.965 -13.761 1.00 0.00 C ATOM 2001 OG SER C 26 -0.270 -5.022 -15.159 1.00 0.00 O ATOM 0 H SER C 26 -0.009 -6.305 -11.167 1.00 0.00 H new ATOM 0 HA SER C 26 -1.209 -6.932 -13.773 1.00 0.00 H new ATOM 0 HB2 SER C 26 -1.388 -4.452 -13.530 1.00 0.00 H new ATOM 0 HB3 SER C 26 0.348 -4.388 -13.302 1.00 0.00 H new ATOM 0 HG SER C 26 -0.257 -4.113 -15.525 1.00 0.00 H new ATOM 2007 N GLY C 27 0.891 -8.366 -12.950 1.00 0.00 N ATOM 2008 CA GLY C 27 2.133 -9.097 -12.832 1.00 0.00 C ATOM 2009 C GLY C 27 2.866 -8.634 -11.579 1.00 0.00 C ATOM 2010 O GLY C 27 2.246 -8.430 -10.535 1.00 0.00 O ATOM 0 H GLY C 27 0.053 -8.922 -12.779 1.00 0.00 H new ATOM 0 HA2 GLY C 27 1.936 -10.168 -12.778 1.00 0.00 H new ATOM 0 HA3 GLY C 27 2.753 -8.931 -13.713 1.00 0.00 H new ATOM 2014 N GLN C 28 4.186 -8.463 -11.672 1.00 0.00 N ATOM 2015 CA GLN C 28 4.963 -7.961 -10.552 1.00 0.00 C ATOM 2016 C GLN C 28 4.590 -6.529 -10.203 1.00 0.00 C ATOM 2017 O GLN C 28 4.978 -6.055 -9.137 1.00 0.00 O ATOM 2018 CB GLN C 28 6.456 -7.995 -10.868 1.00 0.00 C ATOM 2019 CG GLN C 28 7.029 -9.407 -10.969 1.00 0.00 C ATOM 2020 CD GLN C 28 6.284 -10.425 -10.110 1.00 0.00 C ATOM 2021 OE1 GLN C 28 6.505 -10.512 -8.906 1.00 0.00 O ATOM 2022 NE2 GLN C 28 5.399 -11.210 -10.718 1.00 0.00 N ATOM 0 H GLN C 28 4.732 -8.665 -12.510 1.00 0.00 H new ATOM 0 HA GLN C 28 4.739 -8.610 -9.705 1.00 0.00 H new ATOM 0 HB2 GLN C 28 6.631 -7.473 -11.809 1.00 0.00 H new ATOM 0 HB3 GLN C 28 6.995 -7.448 -10.094 1.00 0.00 H new ATOM 0 HG2 GLN C 28 7.000 -9.730 -12.010 1.00 0.00 H new ATOM 0 HG3 GLN C 28 8.077 -9.388 -10.671 1.00 0.00 H new ATOM 0 HE21 GLN C 28 5.236 -11.114 -11.720 1.00 0.00 H new ATOM 0 HE22 GLN C 28 4.883 -11.907 -10.182 1.00 0.00 H new ATOM 2031 N GLN C 29 3.846 -5.830 -11.069 1.00 0.00 N ATOM 2032 CA GLN C 29 3.447 -4.475 -10.755 1.00 0.00 C ATOM 2033 C GLN C 29 2.133 -4.524 -9.994 1.00 0.00 C ATOM 2034 O GLN C 29 1.288 -5.384 -10.240 1.00 0.00 O ATOM 2035 CB GLN C 29 3.343 -3.651 -12.038 1.00 0.00 C ATOM 2036 CG GLN C 29 3.115 -2.182 -11.676 1.00 0.00 C ATOM 2037 CD GLN C 29 3.327 -1.275 -12.878 1.00 0.00 C ATOM 2038 OE1 GLN C 29 4.171 -0.385 -12.842 1.00 0.00 O ATOM 2039 NE2 GLN C 29 2.568 -1.492 -13.945 1.00 0.00 N ATOM 0 H GLN C 29 3.520 -6.180 -11.970 1.00 0.00 H new ATOM 0 HA GLN C 29 4.192 -3.988 -10.125 1.00 0.00 H new ATOM 0 HB2 GLN C 29 4.255 -3.756 -12.626 1.00 0.00 H new ATOM 0 HB3 GLN C 29 2.522 -4.018 -12.654 1.00 0.00 H new ATOM 0 HG2 GLN C 29 2.102 -2.053 -11.295 1.00 0.00 H new ATOM 0 HG3 GLN C 29 3.796 -1.893 -10.876 1.00 0.00 H new ATOM 0 HE21 GLN C 29 1.877 -2.242 -13.935 1.00 0.00 H new ATOM 0 HE22 GLN C 29 2.676 -0.908 -14.775 1.00 0.00 H new ATOM 2048 N VAL C 30 1.968 -3.587 -9.064 1.00 0.00 N ATOM 2049 CA VAL C 30 0.795 -3.528 -8.218 1.00 0.00 C ATOM 2050 C VAL C 30 0.306 -2.090 -8.186 1.00 0.00 C ATOM 2051 O VAL C 30 1.098 -1.177 -7.966 1.00 0.00 O ATOM 2052 CB VAL C 30 1.178 -4.013 -6.814 1.00 0.00 C ATOM 2053 CG1 VAL C 30 -0.046 -4.073 -5.915 1.00 0.00 C ATOM 2054 CG2 VAL C 30 1.791 -5.413 -6.868 1.00 0.00 C ATOM 0 H VAL C 30 2.649 -2.850 -8.881 1.00 0.00 H new ATOM 0 HA VAL C 30 -0.003 -4.165 -8.598 1.00 0.00 H new ATOM 0 HB VAL C 30 1.904 -3.304 -6.416 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.247 -4.419 -4.924 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.489 -3.080 -5.836 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.776 -4.763 -6.339 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.054 -5.734 -5.860 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.069 -6.110 -7.294 1.00 0.00 H new ATOM 0 HG23 VAL C 30 2.687 -5.394 -7.488 1.00 0.00 H new ATOM 2064 N ARG C 31 -0.998 -1.890 -8.402 1.00 0.00 N ATOM 2065 CA ARG C 31 -1.579 -0.560 -8.382 1.00 0.00 C ATOM 2066 C ARG C 31 -2.264 -0.371 -7.039 1.00 0.00 C ATOM 2067 O ARG C 31 -3.060 -1.208 -6.616 1.00 0.00 O ATOM 2068 CB ARG C 31 -2.548 -0.368 -9.551 1.00 0.00 C ATOM 2069 CG ARG C 31 -2.790 1.129 -9.768 1.00 0.00 C ATOM 2070 CD ARG C 31 -3.842 1.397 -10.850 1.00 0.00 C ATOM 2071 NE ARG C 31 -3.519 0.720 -12.115 1.00 0.00 N ATOM 2072 CZ ARG C 31 -3.181 1.341 -13.252 1.00 0.00 C ATOM 2073 NH1 ARG C 31 -3.061 2.664 -13.307 1.00 0.00 N ATOM 2074 NH2 ARG C 31 -2.960 0.628 -14.351 1.00 0.00 N ATOM 0 H ARG C 31 -1.665 -2.638 -8.592 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.803 0.196 -8.503 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -2.138 -0.817 -10.456 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -3.491 -0.874 -9.344 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -3.112 1.582 -8.831 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -1.853 1.609 -10.049 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -4.817 1.061 -10.498 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -3.918 2.470 -11.023 1.00 0.00 H new ATOM 0 HE ARG C 31 -3.555 -0.299 -12.127 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.227 3.226 -12.472 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -2.802 3.117 -14.184 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.048 -0.388 -14.326 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -2.702 1.096 -15.220 1.00 0.00 H new ATOM 2088 N ILE C 32 -1.939 0.739 -6.381 1.00 0.00 N ATOM 2089 CA ILE C 32 -2.341 0.983 -5.009 1.00 0.00 C ATOM 2090 C ILE C 32 -2.896 2.396 -4.902 1.00 0.00 C ATOM 2091 O ILE C 32 -2.542 3.261 -5.703 1.00 0.00 O ATOM 2092 CB ILE C 32 -1.135 0.807 -4.071 1.00 0.00 C ATOM 2093 CG1 ILE C 32 -0.159 -0.265 -4.582 1.00 0.00 C ATOM 2094 CG2 ILE C 32 -1.637 0.476 -2.661 1.00 0.00 C ATOM 2095 CD1 ILE C 32 1.001 -0.510 -3.616 1.00 0.00 C ATOM 0 H ILE C 32 -1.388 1.493 -6.790 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.111 0.269 -4.715 1.00 0.00 H new ATOM 0 HB ILE C 32 -0.577 1.743 -4.045 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -0.700 -1.198 -4.739 1.00 0.00 H new ATOM 0 HG13 ILE C 32 0.237 0.041 -5.550 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -0.786 0.350 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -2.266 1.289 -2.299 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.216 -0.447 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE C 32 1.660 -1.276 -4.025 1.00 0.00 H new ATOM 0 HD12 ILE C 32 1.561 0.415 -3.478 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.610 -0.844 -2.655 1.00 0.00 H new ATOM 2107 N GLY C 33 -3.757 2.627 -3.912 1.00 0.00 N ATOM 2108 CA GLY C 33 -4.343 3.934 -3.681 1.00 0.00 C ATOM 2109 C GLY C 33 -4.198 4.313 -2.214 1.00 0.00 C ATOM 2110 O GLY C 33 -4.114 3.446 -1.344 1.00 0.00 O ATOM 0 H GLY C 33 -4.063 1.912 -3.253 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -3.853 4.678 -4.308 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -5.396 3.925 -3.961 1.00 0.00 H new ATOM 2114 N ILE C 34 -4.169 5.619 -1.953 1.00 0.00 N ATOM 2115 CA ILE C 34 -4.044 6.171 -0.618 1.00 0.00 C ATOM 2116 C ILE C 34 -5.083 7.272 -0.473 1.00 0.00 C ATOM 2117 O ILE C 34 -5.375 7.982 -1.436 1.00 0.00 O ATOM 2118 CB ILE C 34 -2.625 6.723 -0.382 1.00 0.00 C ATOM 2119 CG1 ILE C 34 -1.535 5.649 -0.523 1.00 0.00 C ATOM 2120 CG2 ILE C 34 -2.537 7.300 1.032 1.00 0.00 C ATOM 2121 CD1 ILE C 34 -1.024 5.517 -1.959 1.00 0.00 C ATOM 0 H ILE C 34 -4.233 6.330 -2.681 1.00 0.00 H new ATOM 0 HA ILE C 34 -4.212 5.393 0.127 1.00 0.00 H new ATOM 0 HB ILE C 34 -2.452 7.484 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -0.701 5.894 0.135 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -1.931 4.689 -0.192 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -1.534 7.692 1.203 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -3.265 8.104 1.143 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -2.749 6.516 1.759 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -0.256 4.745 -2.002 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -1.850 5.244 -2.616 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -0.601 6.468 -2.284 1.00 0.00 H new ATOM 2133 N ASN C 35 -5.648 7.417 0.723 1.00 0.00 N ATOM 2134 CA ASN C 35 -6.679 8.402 0.979 1.00 0.00 C ATOM 2135 C ASN C 35 -6.416 9.076 2.320 1.00 0.00 C ATOM 2136 O ASN C 35 -6.579 8.461 3.374 1.00 0.00 O ATOM 2137 CB ASN C 35 -8.043 7.705 0.944 1.00 0.00 C ATOM 2138 CG ASN C 35 -9.202 8.691 0.964 1.00 0.00 C ATOM 2139 OD1 ASN C 35 -9.005 9.900 1.060 1.00 0.00 O ATOM 2140 ND2 ASN C 35 -10.425 8.177 0.873 1.00 0.00 N ATOM 0 H ASN C 35 -5.400 6.853 1.536 1.00 0.00 H new ATOM 0 HA ASN C 35 -6.672 9.179 0.215 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -8.110 7.089 0.047 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.126 7.034 1.799 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.239 8.792 0.882 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -10.549 7.168 0.795 1.00 0.00 H new ATOM 2147 N ALA C 36 -6.004 10.343 2.263 1.00 0.00 N ATOM 2148 CA ALA C 36 -5.660 11.120 3.440 1.00 0.00 C ATOM 2149 C ALA C 36 -5.861 12.608 3.162 1.00 0.00 C ATOM 2150 O ALA C 36 -5.894 13.014 1.998 1.00 0.00 O ATOM 2151 CB ALA C 36 -4.191 10.850 3.763 1.00 0.00 C ATOM 0 H ALA C 36 -5.901 10.857 1.388 1.00 0.00 H new ATOM 0 HA ALA C 36 -6.296 10.838 4.279 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -3.901 11.421 4.645 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -4.051 9.787 3.957 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -3.572 11.149 2.918 1.00 0.00 H new ATOM 2157 N PRO C 37 -5.991 13.432 4.212 1.00 0.00 N ATOM 2158 CA PRO C 37 -6.068 14.879 4.089 1.00 0.00 C ATOM 2159 C PRO C 37 -4.746 15.450 3.578 1.00 0.00 C ATOM 2160 O PRO C 37 -3.694 14.859 3.805 1.00 0.00 O ATOM 2161 CB PRO C 37 -6.365 15.381 5.502 1.00 0.00 C ATOM 2162 CG PRO C 37 -5.860 14.271 6.422 1.00 0.00 C ATOM 2163 CD PRO C 37 -6.074 13.007 5.598 1.00 0.00 C ATOM 0 HA PRO C 37 -6.833 15.188 3.376 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -5.856 16.324 5.702 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -7.431 15.558 5.643 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -4.810 14.410 6.681 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -6.417 14.240 7.358 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -5.316 12.257 5.825 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -7.043 12.557 5.814 1.00 0.00 H new ATOM 2171 N LYS C 38 -4.785 16.602 2.894 1.00 0.00 N ATOM 2172 CA LYS C 38 -3.565 17.272 2.449 1.00 0.00 C ATOM 2173 C LYS C 38 -2.742 17.747 3.651 1.00 0.00 C ATOM 2174 O LYS C 38 -1.627 18.237 3.479 1.00 0.00 O ATOM 2175 CB LYS C 38 -3.900 18.454 1.535 1.00 0.00 C ATOM 2176 CG LYS C 38 -4.462 18.039 0.171 1.00 0.00 C ATOM 2177 CD LYS C 38 -3.476 17.173 -0.614 1.00 0.00 C ATOM 2178 CE LYS C 38 -3.636 17.413 -2.116 1.00 0.00 C ATOM 2179 NZ LYS C 38 -3.175 18.757 -2.510 1.00 0.00 N ATOM 0 H LYS C 38 -5.647 17.084 2.640 1.00 0.00 H new ATOM 0 HA LYS C 38 -2.971 16.555 1.883 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.625 19.096 2.037 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -3.000 19.049 1.381 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.393 17.490 0.314 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -4.703 18.930 -0.408 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -2.456 17.404 -0.309 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -3.646 16.120 -0.387 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -3.072 16.660 -2.666 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -4.683 17.293 -2.393 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -2.897 18.749 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -3.944 19.443 -2.369 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -2.358 19.029 -1.927 1.00 0.00 H new ATOM 2193 N ASP C 39 -3.286 17.606 4.865 1.00 0.00 N ATOM 2194 CA ASP C 39 -2.573 17.897 6.099 1.00 0.00 C ATOM 2195 C ASP C 39 -1.419 16.915 6.313 1.00 0.00 C ATOM 2196 O ASP C 39 -0.614 17.091 7.227 1.00 0.00 O ATOM 2197 CB ASP C 39 -3.544 17.825 7.278 1.00 0.00 C ATOM 2198 CG ASP C 39 -4.545 18.974 7.239 1.00 0.00 C ATOM 2199 OD1 ASP C 39 -4.194 20.064 7.744 1.00 0.00 O ATOM 2200 OD2 ASP C 39 -5.657 18.754 6.703 1.00 0.00 O ATOM 0 H ASP C 39 -4.242 17.283 5.012 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.154 18.901 6.028 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -4.077 16.874 7.256 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -2.986 17.857 8.214 1.00 0.00 H new ATOM 2205 N VAL C 40 -1.341 15.883 5.469 1.00 0.00 N ATOM 2206 CA VAL C 40 -0.264 14.907 5.484 1.00 0.00 C ATOM 2207 C VAL C 40 0.167 14.656 4.044 1.00 0.00 C ATOM 2208 O VAL C 40 -0.545 15.032 3.110 1.00 0.00 O ATOM 2209 CB VAL C 40 -0.710 13.613 6.180 1.00 0.00 C ATOM 2210 CG1 VAL C 40 -1.243 13.909 7.584 1.00 0.00 C ATOM 2211 CG2 VAL C 40 -1.825 12.905 5.419 1.00 0.00 C ATOM 0 H VAL C 40 -2.039 15.705 4.747 1.00 0.00 H new ATOM 0 HA VAL C 40 0.584 15.288 6.053 1.00 0.00 H new ATOM 0 HB VAL C 40 0.172 12.974 6.219 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -1.553 12.978 8.059 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -0.459 14.377 8.180 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -2.097 14.583 7.514 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -2.107 11.995 5.949 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -2.690 13.564 5.344 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.477 12.648 4.419 1.00 0.00 H new ATOM 2221 N ALA C 41 1.319 14.017 3.851 1.00 0.00 N ATOM 2222 CA ALA C 41 1.876 13.853 2.518 1.00 0.00 C ATOM 2223 C ALA C 41 1.952 12.381 2.136 1.00 0.00 C ATOM 2224 O ALA C 41 2.039 11.517 3.007 1.00 0.00 O ATOM 2225 CB ALA C 41 3.264 14.494 2.480 1.00 0.00 C ATOM 0 H ALA C 41 1.879 13.608 4.599 1.00 0.00 H new ATOM 0 HA ALA C 41 1.227 14.344 1.793 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.692 14.377 1.484 1.00 0.00 H new ATOM 0 HB2 ALA C 41 3.182 15.555 2.717 1.00 0.00 H new ATOM 0 HB3 ALA C 41 3.909 14.008 3.212 1.00 0.00 H new ATOM 2231 N VAL C 42 1.921 12.102 0.829 1.00 0.00 N ATOM 2232 CA VAL C 42 2.013 10.747 0.305 1.00 0.00 C ATOM 2233 C VAL C 42 2.781 10.771 -1.013 1.00 0.00 C ATOM 2234 O VAL C 42 2.460 11.561 -1.898 1.00 0.00 O ATOM 2235 CB VAL C 42 0.615 10.133 0.101 1.00 0.00 C ATOM 2236 CG1 VAL C 42 -0.240 10.250 1.363 1.00 0.00 C ATOM 2237 CG2 VAL C 42 -0.177 10.797 -1.027 1.00 0.00 C ATOM 0 H VAL C 42 1.831 12.817 0.107 1.00 0.00 H new ATOM 0 HA VAL C 42 2.543 10.126 1.027 1.00 0.00 H new ATOM 0 HB VAL C 42 0.809 9.091 -0.152 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -1.219 9.806 1.182 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.249 9.726 2.184 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -0.361 11.301 1.624 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -1.152 10.318 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -0.312 11.855 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL C 42 0.368 10.692 -1.965 1.00 0.00 H new ATOM 2247 N HIS C 43 3.791 9.910 -1.151 1.00 0.00 N ATOM 2248 CA HIS C 43 4.556 9.795 -2.389 1.00 0.00 C ATOM 2249 C HIS C 43 5.219 8.429 -2.471 1.00 0.00 C ATOM 2250 O HIS C 43 5.387 7.755 -1.451 1.00 0.00 O ATOM 2251 CB HIS C 43 5.671 10.853 -2.456 1.00 0.00 C ATOM 2252 CG HIS C 43 5.294 12.227 -1.969 1.00 0.00 C ATOM 2253 ND1 HIS C 43 4.710 13.224 -2.752 1.00 0.00 N ATOM 2254 CD2 HIS C 43 5.474 12.698 -0.700 1.00 0.00 C ATOM 2255 CE1 HIS C 43 4.543 14.274 -1.931 1.00 0.00 C ATOM 2256 NE2 HIS C 43 4.991 13.987 -0.696 1.00 0.00 N ATOM 0 H HIS C 43 4.098 9.278 -0.412 1.00 0.00 H new ATOM 0 HA HIS C 43 3.857 9.940 -3.213 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.519 10.499 -1.869 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.009 10.933 -3.489 1.00 0.00 H new ATOM 0 HD1 HIS C 43 4.462 13.167 -3.740 1.00 0.00 H new ATOM 0 HD2 HIS C 43 5.908 12.166 0.133 1.00 0.00 H new ATOM 0 HE1 HIS C 43 4.109 15.219 -2.223 1.00 0.00 H new ATOM 2264 N ARG C 44 5.600 8.005 -3.677 1.00 0.00 N ATOM 2265 CA ARG C 44 6.430 6.819 -3.832 1.00 0.00 C ATOM 2266 C ARG C 44 7.800 7.104 -3.221 1.00 0.00 C ATOM 2267 O ARG C 44 8.188 8.263 -3.083 1.00 0.00 O ATOM 2268 CB ARG C 44 6.521 6.416 -5.308 1.00 0.00 C ATOM 2269 CG ARG C 44 6.903 7.584 -6.216 1.00 0.00 C ATOM 2270 CD ARG C 44 6.991 7.107 -7.668 1.00 0.00 C ATOM 2271 NE ARG C 44 7.050 8.248 -8.586 1.00 0.00 N ATOM 2272 CZ ARG C 44 7.840 8.341 -9.662 1.00 0.00 C ATOM 2273 NH1 ARG C 44 8.692 7.378 -9.986 1.00 0.00 N ATOM 2274 NH2 ARG C 44 7.771 9.425 -10.424 1.00 0.00 N ATOM 0 H ARG C 44 5.347 8.464 -4.552 1.00 0.00 H new ATOM 0 HA ARG C 44 5.987 5.972 -3.308 1.00 0.00 H new ATOM 0 HB2 ARG C 44 7.257 5.620 -5.418 1.00 0.00 H new ATOM 0 HB3 ARG C 44 5.562 6.010 -5.629 1.00 0.00 H new ATOM 0 HG2 ARG C 44 6.164 8.380 -6.130 1.00 0.00 H new ATOM 0 HG3 ARG C 44 7.860 8.002 -5.903 1.00 0.00 H new ATOM 0 HD2 ARG C 44 7.875 6.483 -7.798 1.00 0.00 H new ATOM 0 HD3 ARG C 44 6.126 6.487 -7.905 1.00 0.00 H new ATOM 0 HE ARG C 44 6.437 9.039 -8.388 1.00 0.00 H new ATOM 0 HH11 ARG C 44 8.757 6.539 -9.409 1.00 0.00 H new ATOM 0 HH12 ARG C 44 9.282 7.476 -10.812 1.00 0.00 H new ATOM 0 HH21 ARG C 44 7.121 10.175 -10.187 1.00 0.00 H new ATOM 0 HH22 ARG C 44 8.368 9.509 -11.247 1.00 0.00 H new ATOM 2288 N GLU C 45 8.538 6.054 -2.857 1.00 0.00 N ATOM 2289 CA GLU C 45 9.800 6.204 -2.141 1.00 0.00 C ATOM 2290 C GLU C 45 10.812 7.048 -2.921 1.00 0.00 C ATOM 2291 O GLU C 45 11.720 7.621 -2.328 1.00 0.00 O ATOM 2292 CB GLU C 45 10.375 4.818 -1.829 1.00 0.00 C ATOM 2293 CG GLU C 45 11.357 4.891 -0.661 1.00 0.00 C ATOM 2294 CD GLU C 45 12.196 3.619 -0.519 1.00 0.00 C ATOM 2295 OE1 GLU C 45 12.799 3.206 -1.536 1.00 0.00 O ATOM 2296 OE2 GLU C 45 12.228 3.073 0.608 1.00 0.00 O ATOM 0 H GLU C 45 8.279 5.086 -3.049 1.00 0.00 H new ATOM 0 HA GLU C 45 9.600 6.736 -1.211 1.00 0.00 H new ATOM 0 HB2 GLU C 45 9.566 4.129 -1.588 1.00 0.00 H new ATOM 0 HB3 GLU C 45 10.879 4.421 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU C 45 12.019 5.745 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU C 45 10.805 5.063 0.263 1.00 0.00 H new ATOM 2303 N GLU C 46 10.664 7.135 -4.248 1.00 0.00 N ATOM 2304 CA GLU C 46 11.597 7.876 -5.082 1.00 0.00 C ATOM 2305 C GLU C 46 11.426 9.377 -4.866 1.00 0.00 C ATOM 2306 O GLU C 46 12.408 10.101 -4.723 1.00 0.00 O ATOM 2307 CB GLU C 46 11.336 7.535 -6.551 1.00 0.00 C ATOM 2308 CG GLU C 46 11.536 6.041 -6.813 1.00 0.00 C ATOM 2309 CD GLU C 46 11.159 5.684 -8.251 1.00 0.00 C ATOM 2310 OE1 GLU C 46 9.956 5.415 -8.471 1.00 0.00 O ATOM 2311 OE2 GLU C 46 12.066 5.685 -9.115 1.00 0.00 O ATOM 0 H GLU C 46 9.900 6.696 -4.763 1.00 0.00 H new ATOM 0 HA GLU C 46 12.616 7.599 -4.812 1.00 0.00 H new ATOM 0 HB2 GLU C 46 10.319 7.822 -6.819 1.00 0.00 H new ATOM 0 HB3 GLU C 46 12.008 8.112 -7.187 1.00 0.00 H new ATOM 0 HG2 GLU C 46 12.576 5.771 -6.628 1.00 0.00 H new ATOM 0 HG3 GLU C 46 10.928 5.461 -6.119 1.00 0.00 H new ATOM 2318 N ILE C 47 10.179 9.847 -4.846 1.00 0.00 N ATOM 2319 CA ILE C 47 9.875 11.258 -4.672 1.00 0.00 C ATOM 2320 C ILE C 47 10.081 11.646 -3.211 1.00 0.00 C ATOM 2321 O ILE C 47 10.402 12.794 -2.911 1.00 0.00 O ATOM 2322 CB ILE C 47 8.423 11.502 -5.105 1.00 0.00 C ATOM 2323 CG1 ILE C 47 8.311 11.719 -6.616 1.00 0.00 C ATOM 2324 CG2 ILE C 47 7.843 12.760 -4.452 1.00 0.00 C ATOM 2325 CD1 ILE C 47 9.009 10.653 -7.460 1.00 0.00 C ATOM 0 H ILE C 47 9.354 9.256 -4.950 1.00 0.00 H new ATOM 0 HA ILE C 47 10.537 11.871 -5.283 1.00 0.00 H new ATOM 0 HB ILE C 47 7.876 10.611 -4.796 1.00 0.00 H new ATOM 0 HG12 ILE C 47 7.256 11.748 -6.889 1.00 0.00 H new ATOM 0 HG13 ILE C 47 8.732 12.694 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE C 47 6.814 12.900 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE C 47 7.864 12.650 -3.368 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.438 13.627 -4.740 1.00 0.00 H new ATOM 0 HD11 ILE C 47 8.880 10.884 -8.517 1.00 0.00 H new ATOM 0 HD12 ILE C 47 10.072 10.637 -7.219 1.00 0.00 H new ATOM 0 HD13 ILE C 47 8.574 9.677 -7.246 1.00 0.00 H new ATOM 2337 N TYR C 48 9.896 10.691 -2.299 1.00 0.00 N ATOM 2338 CA TYR C 48 10.025 10.943 -0.875 1.00 0.00 C ATOM 2339 C TYR C 48 11.427 11.434 -0.525 1.00 0.00 C ATOM 2340 O TYR C 48 11.584 12.319 0.311 1.00 0.00 O ATOM 2341 CB TYR C 48 9.713 9.631 -0.155 1.00 0.00 C ATOM 2342 CG TYR C 48 9.720 9.721 1.351 1.00 0.00 C ATOM 2343 CD1 TYR C 48 8.690 10.407 2.013 1.00 0.00 C ATOM 2344 CD2 TYR C 48 10.746 9.110 2.086 1.00 0.00 C ATOM 2345 CE1 TYR C 48 8.658 10.444 3.416 1.00 0.00 C ATOM 2346 CE2 TYR C 48 10.710 9.129 3.487 1.00 0.00 C ATOM 2347 CZ TYR C 48 9.660 9.784 4.161 1.00 0.00 C ATOM 2348 OH TYR C 48 9.625 9.790 5.522 1.00 0.00 O ATOM 0 H TYR C 48 9.654 9.728 -2.531 1.00 0.00 H new ATOM 0 HA TYR C 48 9.334 11.727 -0.565 1.00 0.00 H new ATOM 0 HB2 TYR C 48 8.734 9.278 -0.480 1.00 0.00 H new ATOM 0 HB3 TYR C 48 10.441 8.881 -0.464 1.00 0.00 H new ATOM 0 HD1 TYR C 48 7.921 10.907 1.443 1.00 0.00 H new ATOM 0 HD2 TYR C 48 11.563 8.625 1.573 1.00 0.00 H new ATOM 0 HE1 TYR C 48 7.868 10.976 3.925 1.00 0.00 H new ATOM 0 HE2 TYR C 48 11.490 8.640 4.052 1.00 0.00 H new ATOM 0 HH TYR C 48 10.390 9.287 5.871 1.00 0.00 H new