USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 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 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.209 K(o=-0.21,f=-2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 97:sc= 1.17 USER MOD Single : A 34 TYR OH : rot 180:sc= -2.43 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -102:sc= 0.616 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot -109:sc= 0.602 USER MOD Single : A 44 LYS NZ :NH3+ -105:sc= -1.28! (180deg=-3.37!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 54 SER OG : rot -26:sc= 0.54 USER MOD Single : A 55 ASN : amide:sc= -0.0455 K(o=-0.045,f=-7.2!) USER MOD Single : A 58 SER OG : rot 170:sc= -0.599 USER MOD Single : A 67 HIS : no HD1:sc= -2.23 X(o=-2.2,f=-2.5) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -20:sc= 0.571 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -145:sc= -0.343 (180deg=-2.55!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.482 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.977 3.970 0.306 1.00 0.00 N ATOM 60 CA GLY A 7 -1.748 3.423 0.852 1.00 0.00 C ATOM 61 C GLY A 7 -2.002 2.418 1.958 1.00 0.00 C ATOM 62 O GLY A 7 -3.022 2.484 2.645 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.181 2.944 0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.132 4.235 1.238 1.00 0.00 H new ATOM 66 N LEU A 8 -1.073 1.485 2.131 1.00 0.00 N ATOM 67 CA LEU A 8 -1.201 0.460 3.161 1.00 0.00 C ATOM 68 C LEU A 8 0.159 0.120 3.763 1.00 0.00 C ATOM 69 O LEU A 8 1.147 -0.033 3.044 1.00 0.00 O ATOM 70 CB LEU A 8 -1.841 -0.800 2.577 1.00 0.00 C ATOM 71 CG LEU A 8 -3.356 -0.752 2.377 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.810 -1.877 1.460 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.075 -0.830 3.716 1.00 0.00 C ATOM 0 H LEU A 8 -0.223 1.417 1.572 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.840 0.853 3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.374 -1.008 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.608 -1.639 3.232 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.610 0.198 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.891 -1.826 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.322 -1.775 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.542 -2.837 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.152 -0.794 3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.814 -1.763 4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.774 0.012 4.340 1.00 0.00 H new ATOM 85 N ILE A 9 0.201 0.001 5.086 1.00 0.00 N ATOM 86 CA ILE A 9 1.439 -0.323 5.785 1.00 0.00 C ATOM 87 C ILE A 9 1.457 -1.786 6.218 1.00 0.00 C ATOM 88 O ILE A 9 0.924 -2.137 7.270 1.00 0.00 O ATOM 89 CB ILE A 9 1.639 0.571 7.022 1.00 0.00 C ATOM 90 CG1 ILE A 9 1.517 2.047 6.637 1.00 0.00 C ATOM 91 CG2 ILE A 9 2.991 0.295 7.663 1.00 0.00 C ATOM 92 CD1 ILE A 9 2.626 2.528 5.727 1.00 0.00 C ATOM 0 H ILE A 9 -0.608 0.124 5.695 1.00 0.00 H new ATOM 0 HA ILE A 9 2.254 -0.143 5.084 1.00 0.00 H new ATOM 0 HB ILE A 9 0.861 0.339 7.749 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.558 2.207 6.144 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.514 2.652 7.544 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.117 0.935 8.536 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.042 -0.750 7.969 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.784 0.502 6.944 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.475 3.582 5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.587 2.400 6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.616 1.949 4.804 1.00 0.00 H new ATOM 104 N ALA A 10 2.078 -2.632 5.402 1.00 0.00 N ATOM 105 CA ALA A 10 2.170 -4.054 5.704 1.00 0.00 C ATOM 106 C ALA A 10 3.425 -4.365 6.512 1.00 0.00 C ATOM 107 O ALA A 10 4.513 -3.880 6.196 1.00 0.00 O ATOM 108 CB ALA A 10 2.152 -4.868 4.419 1.00 0.00 C ATOM 0 H ALA A 10 2.524 -2.357 4.527 1.00 0.00 H new ATOM 0 HA ALA A 10 1.305 -4.328 6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.221 -5.929 4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.223 -4.678 3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.998 -4.581 3.795 1.00 0.00 H new ATOM 114 N CYS A 11 3.268 -5.173 7.554 1.00 0.00 N ATOM 115 CA CYS A 11 4.390 -5.545 8.408 1.00 0.00 C ATOM 116 C CYS A 11 4.684 -7.039 8.300 1.00 0.00 C ATOM 117 O CYS A 11 3.880 -7.872 8.719 1.00 0.00 O ATOM 118 CB CYS A 11 4.095 -5.177 9.863 1.00 0.00 C ATOM 119 SG CYS A 11 5.539 -4.597 10.784 1.00 0.00 S ATOM 0 H CYS A 11 2.375 -5.583 7.828 1.00 0.00 H new ATOM 0 HA CYS A 11 5.268 -4.994 8.072 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.329 -4.402 9.882 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.680 -6.048 10.370 1.00 0.00 H new ATOM 0 HG CYS A 11 5.189 -4.308 12.002 1.00 0.00 H new ATOM 125 N VAL A 12 5.838 -7.369 7.731 1.00 0.00 N ATOM 126 CA VAL A 12 6.238 -8.762 7.566 1.00 0.00 C ATOM 127 C VAL A 12 7.264 -9.168 8.619 1.00 0.00 C ATOM 128 O VAL A 12 8.074 -8.352 9.058 1.00 0.00 O ATOM 129 CB VAL A 12 6.828 -9.014 6.167 1.00 0.00 C ATOM 130 CG1 VAL A 12 6.543 -10.439 5.716 1.00 0.00 C ATOM 131 CG2 VAL A 12 6.276 -8.009 5.167 1.00 0.00 C ATOM 0 H VAL A 12 6.513 -6.691 7.376 1.00 0.00 H new ATOM 0 HA VAL A 12 5.339 -9.366 7.687 1.00 0.00 H new ATOM 0 HB VAL A 12 7.909 -8.884 6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.968 -10.599 4.725 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.991 -11.140 6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.466 -10.600 5.679 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.704 -8.202 4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.191 -8.105 5.116 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.537 -6.999 5.484 1.00 0.00 H new ATOM 141 N ALA A 13 7.223 -10.434 9.019 1.00 0.00 N ATOM 142 CA ALA A 13 8.150 -10.950 10.019 1.00 0.00 C ATOM 143 C ALA A 13 9.318 -11.676 9.361 1.00 0.00 C ATOM 144 O ALA A 13 10.436 -11.668 9.876 1.00 0.00 O ATOM 145 CB ALA A 13 7.425 -11.877 10.983 1.00 0.00 C ATOM 0 H ALA A 13 6.558 -11.122 8.666 1.00 0.00 H new ATOM 0 HA ALA A 13 8.550 -10.104 10.578 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.130 -12.255 11.724 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.629 -11.328 11.486 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.996 -12.713 10.431 1.00 0.00 H new ATOM 151 N ASN A 14 9.053 -12.303 8.219 1.00 0.00 N ATOM 152 CA ASN A 14 10.082 -13.036 7.492 1.00 0.00 C ATOM 153 C ASN A 14 11.169 -12.090 6.990 1.00 0.00 C ATOM 154 O ASN A 14 10.970 -11.357 6.021 1.00 0.00 O ATOM 155 CB ASN A 14 9.464 -13.791 6.313 1.00 0.00 C ATOM 156 CG ASN A 14 9.056 -15.204 6.683 1.00 0.00 C ATOM 157 OD1 ASN A 14 9.609 -15.800 7.609 1.00 0.00 O ATOM 158 ND2 ASN A 14 8.085 -15.748 5.960 1.00 0.00 N ATOM 0 H ASN A 14 8.134 -12.318 7.777 1.00 0.00 H new ATOM 0 HA ASN A 14 10.535 -13.753 8.176 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.591 -13.246 5.953 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.180 -13.825 5.492 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.769 -16.696 6.162 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.655 -15.218 5.202 1.00 0.00 H new ATOM 165 N ASP A 15 12.320 -12.114 7.654 1.00 0.00 N ATOM 166 CA ASP A 15 13.440 -11.261 7.275 1.00 0.00 C ATOM 167 C ASP A 15 13.918 -11.588 5.864 1.00 0.00 C ATOM 168 O ASP A 15 14.674 -10.825 5.262 1.00 0.00 O ATOM 169 CB ASP A 15 14.592 -11.424 8.268 1.00 0.00 C ATOM 170 CG ASP A 15 15.836 -10.672 7.840 1.00 0.00 C ATOM 171 OD1 ASP A 15 15.703 -9.516 7.385 1.00 0.00 O ATOM 172 OD2 ASP A 15 16.942 -11.237 7.958 1.00 0.00 O ATOM 0 H ASP A 15 12.501 -12.715 8.458 1.00 0.00 H new ATOM 0 HA ASP A 15 13.099 -10.226 7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.276 -11.069 9.249 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.829 -12.483 8.374 1.00 0.00 H new ATOM 177 N ASP A 16 13.474 -12.726 5.343 1.00 0.00 N ATOM 178 CA ASP A 16 13.856 -13.155 4.003 1.00 0.00 C ATOM 179 C ASP A 16 13.123 -12.341 2.942 1.00 0.00 C ATOM 180 O ASP A 16 13.587 -12.216 1.809 1.00 0.00 O ATOM 181 CB ASP A 16 13.562 -14.644 3.816 1.00 0.00 C ATOM 182 CG ASP A 16 14.807 -15.445 3.490 1.00 0.00 C ATOM 183 OD1 ASP A 16 15.892 -15.087 3.995 1.00 0.00 O ATOM 184 OD2 ASP A 16 14.697 -16.428 2.730 1.00 0.00 O ATOM 0 H ASP A 16 12.848 -13.369 5.829 1.00 0.00 H new ATOM 0 HA ASP A 16 14.927 -12.988 3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.108 -15.038 4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.833 -14.769 3.015 1.00 0.00 H new ATOM 189 N VAL A 17 11.972 -11.789 3.317 1.00 0.00 N ATOM 190 CA VAL A 17 11.173 -10.988 2.398 1.00 0.00 C ATOM 191 C VAL A 17 11.901 -9.705 2.012 1.00 0.00 C ATOM 192 O VAL A 17 11.609 -9.099 0.982 1.00 0.00 O ATOM 193 CB VAL A 17 9.808 -10.626 3.011 1.00 0.00 C ATOM 194 CG1 VAL A 17 9.085 -9.607 2.142 1.00 0.00 C ATOM 195 CG2 VAL A 17 8.960 -11.876 3.198 1.00 0.00 C ATOM 0 H VAL A 17 11.573 -11.883 4.251 1.00 0.00 H new ATOM 0 HA VAL A 17 11.013 -11.594 1.506 1.00 0.00 H new ATOM 0 HB VAL A 17 9.976 -10.178 3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.122 -9.363 2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.688 -8.702 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.926 -10.024 1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.999 -11.602 3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.799 -12.354 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.475 -12.569 3.864 1.00 0.00 H new ATOM 205 N PHE A 18 12.851 -9.297 2.847 1.00 0.00 N ATOM 206 CA PHE A 18 13.622 -8.084 2.594 1.00 0.00 C ATOM 207 C PHE A 18 14.923 -8.409 1.867 1.00 0.00 C ATOM 208 O PHE A 18 15.981 -7.872 2.194 1.00 0.00 O ATOM 209 CB PHE A 18 13.926 -7.364 3.909 1.00 0.00 C ATOM 210 CG PHE A 18 12.698 -7.048 4.717 1.00 0.00 C ATOM 211 CD1 PHE A 18 12.012 -8.052 5.379 1.00 0.00 C ATOM 212 CD2 PHE A 18 12.233 -5.747 4.814 1.00 0.00 C ATOM 213 CE1 PHE A 18 10.883 -7.765 6.123 1.00 0.00 C ATOM 214 CE2 PHE A 18 11.105 -5.453 5.556 1.00 0.00 C ATOM 215 CZ PHE A 18 10.429 -6.463 6.212 1.00 0.00 C ATOM 0 H PHE A 18 13.106 -9.788 3.704 1.00 0.00 H new ATOM 0 HA PHE A 18 13.025 -7.430 1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.595 -7.983 4.507 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.457 -6.437 3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.363 -9.071 5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.758 -4.953 4.304 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.356 -8.557 6.634 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.752 -4.434 5.623 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.548 -6.236 6.793 1.00 0.00 H new ATOM 262 N GLU A 22 14.354 -13.772 -4.027 1.00 0.00 N ATOM 263 CA GLU A 22 13.133 -14.017 -4.787 1.00 0.00 C ATOM 264 C GLU A 22 11.906 -13.935 -3.883 1.00 0.00 C ATOM 265 O GLU A 22 10.827 -13.527 -4.316 1.00 0.00 O ATOM 266 CB GLU A 22 13.193 -15.388 -5.463 1.00 0.00 C ATOM 267 CG GLU A 22 13.201 -15.318 -6.980 1.00 0.00 C ATOM 268 CD GLU A 22 14.420 -15.982 -7.588 1.00 0.00 C ATOM 269 OE1 GLU A 22 14.577 -17.209 -7.417 1.00 0.00 O ATOM 270 OE2 GLU A 22 15.219 -15.274 -8.237 1.00 0.00 O ATOM 0 HA GLU A 22 13.051 -13.247 -5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.089 -15.911 -5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.338 -15.981 -5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.301 -15.796 -7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.167 -14.274 -7.292 1.00 0.00 H new ATOM 277 N THR A 23 12.077 -14.329 -2.625 1.00 0.00 N ATOM 278 CA THR A 23 10.984 -14.303 -1.662 1.00 0.00 C ATOM 279 C THR A 23 10.174 -13.017 -1.782 1.00 0.00 C ATOM 280 O THR A 23 8.944 -13.041 -1.732 1.00 0.00 O ATOM 281 CB THR A 23 11.505 -14.435 -0.218 1.00 0.00 C ATOM 282 OG1 THR A 23 12.498 -15.465 -0.147 1.00 0.00 O ATOM 283 CG2 THR A 23 10.368 -14.754 0.741 1.00 0.00 C ATOM 0 H THR A 23 12.962 -14.670 -2.250 1.00 0.00 H new ATOM 0 HA THR A 23 10.343 -15.155 -1.889 1.00 0.00 H new ATOM 0 HB THR A 23 11.948 -13.483 0.073 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.825 -15.541 0.774 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.760 -14.842 1.754 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.628 -13.954 0.707 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.900 -15.694 0.450 1.00 0.00 H new ATOM 291 N ARG A 24 10.872 -11.898 -1.940 1.00 0.00 N ATOM 292 CA ARG A 24 10.217 -10.602 -2.067 1.00 0.00 C ATOM 293 C ARG A 24 9.113 -10.651 -3.119 1.00 0.00 C ATOM 294 O ARG A 24 8.042 -10.072 -2.938 1.00 0.00 O ATOM 295 CB ARG A 24 11.239 -9.524 -2.435 1.00 0.00 C ATOM 296 CG ARG A 24 10.619 -8.159 -2.688 1.00 0.00 C ATOM 297 CD ARG A 24 11.040 -7.599 -4.038 1.00 0.00 C ATOM 298 NE ARG A 24 10.914 -6.145 -4.091 1.00 0.00 N ATOM 299 CZ ARG A 24 11.702 -5.314 -3.417 1.00 0.00 C ATOM 300 NH1 ARG A 24 12.668 -5.790 -2.645 1.00 0.00 N ATOM 301 NH2 ARG A 24 11.525 -4.002 -3.517 1.00 0.00 N ATOM 0 H ARG A 24 11.890 -11.862 -1.983 1.00 0.00 H new ATOM 0 HA ARG A 24 9.768 -10.355 -1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.970 -9.438 -1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.781 -9.838 -3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.533 -8.238 -2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.917 -7.470 -1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.073 -7.881 -4.241 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.428 -8.045 -4.822 1.00 0.00 H new ATOM 0 HE ARG A 24 10.181 -5.746 -4.677 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.809 -6.797 -2.567 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.271 -5.149 -2.129 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.784 -3.631 -4.111 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.130 -3.365 -2.999 1.00 0.00 H new ATOM 315 N ALA A 25 9.382 -11.346 -4.220 1.00 0.00 N ATOM 316 CA ALA A 25 8.411 -11.472 -5.300 1.00 0.00 C ATOM 317 C ALA A 25 7.105 -12.077 -4.796 1.00 0.00 C ATOM 318 O ALA A 25 6.021 -11.568 -5.084 1.00 0.00 O ATOM 319 CB ALA A 25 8.984 -12.316 -6.429 1.00 0.00 C ATOM 0 H ALA A 25 10.264 -11.830 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 25 8.196 -10.473 -5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.248 -12.402 -7.229 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.886 -11.842 -6.815 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.228 -13.309 -6.053 1.00 0.00 H new ATOM 325 N LYS A 26 7.214 -13.167 -4.044 1.00 0.00 N ATOM 326 CA LYS A 26 6.042 -13.842 -3.499 1.00 0.00 C ATOM 327 C LYS A 26 5.158 -12.864 -2.732 1.00 0.00 C ATOM 328 O LYS A 26 3.932 -12.965 -2.761 1.00 0.00 O ATOM 329 CB LYS A 26 6.470 -14.988 -2.580 1.00 0.00 C ATOM 330 CG LYS A 26 7.337 -16.028 -3.267 1.00 0.00 C ATOM 331 CD LYS A 26 8.276 -16.708 -2.285 1.00 0.00 C ATOM 332 CE LYS A 26 9.531 -17.220 -2.975 1.00 0.00 C ATOM 333 NZ LYS A 26 9.360 -18.612 -3.475 1.00 0.00 N ATOM 0 H LYS A 26 8.103 -13.602 -3.798 1.00 0.00 H new ATOM 0 HA LYS A 26 5.467 -14.247 -4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.015 -14.577 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.580 -15.475 -2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.702 -16.776 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.918 -15.554 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.553 -16.005 -1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.760 -17.539 -1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.781 -16.563 -3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.369 -17.185 -2.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.237 -18.924 -3.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.146 -19.244 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.577 -18.641 -4.159 1.00 0.00 H new ATOM 347 N PHE A 27 5.789 -11.915 -2.048 1.00 0.00 N ATOM 348 CA PHE A 27 5.060 -10.917 -1.273 1.00 0.00 C ATOM 349 C PHE A 27 4.465 -9.849 -2.186 1.00 0.00 C ATOM 350 O PHE A 27 3.402 -9.298 -1.904 1.00 0.00 O ATOM 351 CB PHE A 27 5.983 -10.267 -0.241 1.00 0.00 C ATOM 352 CG PHE A 27 5.423 -9.005 0.353 1.00 0.00 C ATOM 353 CD1 PHE A 27 5.433 -7.822 -0.367 1.00 0.00 C ATOM 354 CD2 PHE A 27 4.889 -9.004 1.631 1.00 0.00 C ATOM 355 CE1 PHE A 27 4.918 -6.660 0.176 1.00 0.00 C ATOM 356 CE2 PHE A 27 4.373 -7.844 2.179 1.00 0.00 C ATOM 357 CZ PHE A 27 4.389 -6.671 1.452 1.00 0.00 C ATOM 0 H PHE A 27 6.804 -11.816 -2.015 1.00 0.00 H new ATOM 0 HA PHE A 27 4.245 -11.421 -0.753 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.179 -10.980 0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.941 -10.044 -0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.848 -7.807 -1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.875 -9.919 2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.929 -5.744 -0.397 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.958 -7.856 3.176 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.989 -5.764 1.880 1.00 0.00 H new ATOM 367 N GLU A 28 5.162 -9.560 -3.281 1.00 0.00 N ATOM 368 CA GLU A 28 4.704 -8.555 -4.234 1.00 0.00 C ATOM 369 C GLU A 28 3.518 -9.073 -5.042 1.00 0.00 C ATOM 370 O GLU A 28 2.419 -8.521 -4.977 1.00 0.00 O ATOM 371 CB GLU A 28 5.842 -8.158 -5.177 1.00 0.00 C ATOM 372 CG GLU A 28 6.678 -6.997 -4.666 1.00 0.00 C ATOM 373 CD GLU A 28 7.783 -6.605 -5.628 1.00 0.00 C ATOM 374 OE1 GLU A 28 8.381 -7.513 -6.244 1.00 0.00 O ATOM 375 OE2 GLU A 28 8.049 -5.394 -5.766 1.00 0.00 O ATOM 0 H GLU A 28 6.045 -10.007 -3.530 1.00 0.00 H new ATOM 0 HA GLU A 28 4.384 -7.677 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.490 -9.020 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.423 -7.893 -6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.031 -6.137 -4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.117 -7.265 -3.705 1.00 0.00 H new ATOM 382 N SER A 29 3.748 -10.138 -5.806 1.00 0.00 N ATOM 383 CA SER A 29 2.700 -10.728 -6.630 1.00 0.00 C ATOM 384 C SER A 29 1.352 -10.675 -5.916 1.00 0.00 C ATOM 385 O SER A 29 0.310 -10.480 -6.544 1.00 0.00 O ATOM 386 CB SER A 29 3.050 -12.177 -6.977 1.00 0.00 C ATOM 387 OG SER A 29 2.177 -12.688 -7.969 1.00 0.00 O ATOM 0 H SER A 29 4.651 -10.609 -5.871 1.00 0.00 H new ATOM 0 HA SER A 29 2.627 -10.149 -7.550 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.079 -12.231 -7.331 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.988 -12.794 -6.081 1.00 0.00 H new ATOM 0 HG SER A 29 2.422 -13.614 -8.175 1.00 0.00 H new ATOM 393 N LEU A 30 1.381 -10.852 -4.600 1.00 0.00 N ATOM 394 CA LEU A 30 0.162 -10.825 -3.798 1.00 0.00 C ATOM 395 C LEU A 30 -0.628 -9.545 -4.051 1.00 0.00 C ATOM 396 O LEU A 30 -1.823 -9.589 -4.342 1.00 0.00 O ATOM 397 CB LEU A 30 0.503 -10.941 -2.311 1.00 0.00 C ATOM 398 CG LEU A 30 0.894 -12.336 -1.819 1.00 0.00 C ATOM 399 CD1 LEU A 30 1.170 -12.316 -0.323 1.00 0.00 C ATOM 400 CD2 LEU A 30 -0.199 -13.342 -2.149 1.00 0.00 C ATOM 0 H LEU A 30 2.234 -11.016 -4.066 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.454 -11.675 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.323 -10.257 -2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.357 -10.602 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 30 1.807 -12.640 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.447 -13.317 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.987 -11.625 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.275 -11.992 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.095 -14.329 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.128 -13.043 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.348 -13.376 -3.228 1.00 0.00 H new ATOM 412 N PHE A 31 0.048 -8.406 -3.940 1.00 0.00 N ATOM 413 CA PHE A 31 -0.591 -7.114 -4.158 1.00 0.00 C ATOM 414 C PHE A 31 -0.684 -6.798 -5.648 1.00 0.00 C ATOM 415 O PHE A 31 -1.760 -6.491 -6.162 1.00 0.00 O ATOM 416 CB PHE A 31 0.187 -6.009 -3.439 1.00 0.00 C ATOM 417 CG PHE A 31 0.408 -6.285 -1.980 1.00 0.00 C ATOM 418 CD1 PHE A 31 1.441 -7.112 -1.565 1.00 0.00 C ATOM 419 CD2 PHE A 31 -0.416 -5.719 -1.021 1.00 0.00 C ATOM 420 CE1 PHE A 31 1.648 -7.367 -0.223 1.00 0.00 C ATOM 421 CE2 PHE A 31 -0.214 -5.970 0.323 1.00 0.00 C ATOM 422 CZ PHE A 31 0.818 -6.796 0.722 1.00 0.00 C ATOM 0 H PHE A 31 1.038 -8.352 -3.700 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.601 -7.163 -3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.153 -5.879 -3.927 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.352 -5.068 -3.545 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.092 -7.562 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.226 -5.074 -1.327 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.457 -8.012 0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.863 -5.521 1.060 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.976 -6.995 1.772 1.00 0.00 H new ATOM 432 N ARG A 32 0.451 -6.875 -6.336 1.00 0.00 N ATOM 433 CA ARG A 32 0.498 -6.596 -7.765 1.00 0.00 C ATOM 434 C ARG A 32 -0.713 -7.193 -8.477 1.00 0.00 C ATOM 435 O ARG A 32 -1.370 -6.525 -9.275 1.00 0.00 O ATOM 436 CB ARG A 32 1.786 -7.153 -8.374 1.00 0.00 C ATOM 437 CG ARG A 32 2.467 -6.198 -9.340 1.00 0.00 C ATOM 438 CD ARG A 32 1.873 -6.300 -10.736 1.00 0.00 C ATOM 439 NE ARG A 32 2.672 -5.582 -11.725 1.00 0.00 N ATOM 440 CZ ARG A 32 2.496 -5.697 -13.037 1.00 0.00 C ATOM 441 NH1 ARG A 32 1.552 -6.497 -13.514 1.00 0.00 N ATOM 442 NH2 ARG A 32 3.263 -5.011 -13.873 1.00 0.00 N ATOM 0 H ARG A 32 1.350 -7.128 -5.926 1.00 0.00 H new ATOM 0 HA ARG A 32 0.479 -5.514 -7.898 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.480 -7.400 -7.571 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.559 -8.083 -8.896 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.367 -5.176 -8.974 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.534 -6.419 -9.380 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.799 -7.349 -11.023 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.859 -5.899 -10.729 1.00 0.00 H new ATOM 0 HE ARG A 32 3.406 -4.958 -11.390 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.960 -7.025 -12.873 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.418 -6.584 -14.521 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.989 -4.394 -13.509 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.127 -5.100 -14.880 1.00 0.00 H new ATOM 456 N THR A 33 -1.002 -8.457 -8.181 1.00 0.00 N ATOM 457 CA THR A 33 -2.132 -9.145 -8.792 1.00 0.00 C ATOM 458 C THR A 33 -3.334 -8.218 -8.927 1.00 0.00 C ATOM 459 O THR A 33 -4.018 -8.215 -9.950 1.00 0.00 O ATOM 460 CB THR A 33 -2.544 -10.384 -7.976 1.00 0.00 C ATOM 461 OG1 THR A 33 -1.496 -11.360 -8.004 1.00 0.00 O ATOM 462 CG2 THR A 33 -3.825 -10.993 -8.525 1.00 0.00 C ATOM 0 H THR A 33 -0.469 -9.024 -7.522 1.00 0.00 H new ATOM 0 HA THR A 33 -1.808 -9.463 -9.783 1.00 0.00 H new ATOM 0 HB THR A 33 -2.721 -10.071 -6.947 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.950 -11.277 -7.194 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.096 -11.867 -7.932 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.628 -10.258 -8.475 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.671 -11.292 -9.562 1.00 0.00 H new ATOM 470 N TYR A 34 -3.586 -7.429 -7.888 1.00 0.00 N ATOM 471 CA TYR A 34 -4.707 -6.496 -7.889 1.00 0.00 C ATOM 472 C TYR A 34 -4.454 -5.341 -8.852 1.00 0.00 C ATOM 473 O TYR A 34 -5.087 -5.245 -9.904 1.00 0.00 O ATOM 474 CB TYR A 34 -4.949 -5.956 -6.479 1.00 0.00 C ATOM 475 CG TYR A 34 -4.892 -7.018 -5.404 1.00 0.00 C ATOM 476 CD1 TYR A 34 -5.601 -8.204 -5.535 1.00 0.00 C ATOM 477 CD2 TYR A 34 -4.127 -6.834 -4.259 1.00 0.00 C ATOM 478 CE1 TYR A 34 -5.552 -9.178 -4.555 1.00 0.00 C ATOM 479 CE2 TYR A 34 -4.070 -7.802 -3.275 1.00 0.00 C ATOM 480 CZ TYR A 34 -4.785 -8.972 -3.428 1.00 0.00 C ATOM 481 OH TYR A 34 -4.733 -9.939 -2.449 1.00 0.00 O ATOM 0 H TYR A 34 -3.029 -7.417 -7.034 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.594 -7.034 -8.222 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.205 -5.190 -6.260 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.925 -5.471 -6.447 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.201 -8.369 -6.418 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.567 -5.919 -4.136 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.111 -10.095 -4.672 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.469 -7.644 -2.391 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.148 -9.638 -1.723 1.00 0.00 H new ATOM 491 N ASP A 35 -3.524 -4.467 -8.485 1.00 0.00 N ATOM 492 CA ASP A 35 -3.184 -3.317 -9.317 1.00 0.00 C ATOM 493 C ASP A 35 -1.818 -3.505 -9.971 1.00 0.00 C ATOM 494 O ASP A 35 -0.932 -4.148 -9.408 1.00 0.00 O ATOM 495 CB ASP A 35 -3.192 -2.037 -8.482 1.00 0.00 C ATOM 496 CG ASP A 35 -3.865 -0.883 -9.198 1.00 0.00 C ATOM 497 OD1 ASP A 35 -3.618 -0.711 -10.409 1.00 0.00 O ATOM 498 OD2 ASP A 35 -4.641 -0.151 -8.547 1.00 0.00 O ATOM 0 H ASP A 35 -2.992 -4.532 -7.617 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.935 -3.233 -10.103 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.706 -2.225 -7.539 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.167 -1.760 -8.237 1.00 0.00 H new ATOM 503 N LYS A 36 -1.656 -2.939 -11.162 1.00 0.00 N ATOM 504 CA LYS A 36 -0.399 -3.044 -11.894 1.00 0.00 C ATOM 505 C LYS A 36 0.504 -1.851 -11.595 1.00 0.00 C ATOM 506 O LYS A 36 1.713 -1.903 -11.826 1.00 0.00 O ATOM 507 CB LYS A 36 -0.667 -3.130 -13.398 1.00 0.00 C ATOM 508 CG LYS A 36 -1.439 -1.944 -13.948 1.00 0.00 C ATOM 509 CD LYS A 36 -0.823 -1.426 -15.237 1.00 0.00 C ATOM 510 CE LYS A 36 -1.090 0.059 -15.426 1.00 0.00 C ATOM 511 NZ LYS A 36 -0.025 0.716 -16.231 1.00 0.00 N ATOM 0 H LYS A 36 -2.379 -2.403 -11.641 1.00 0.00 H new ATOM 0 HA LYS A 36 0.108 -3.953 -11.569 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.284 -3.209 -13.924 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.223 -4.044 -13.608 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.474 -2.235 -14.130 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.458 -1.146 -13.206 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.252 -1.605 -15.225 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.229 -1.980 -16.083 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.053 0.195 -15.918 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.159 0.542 -14.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.244 1.727 -16.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.890 0.609 -15.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.024 0.272 -17.170 1.00 0.00 H new ATOM 525 N ASP A 37 -0.089 -0.779 -11.081 1.00 0.00 N ATOM 526 CA ASP A 37 0.662 0.425 -10.749 1.00 0.00 C ATOM 527 C ASP A 37 0.856 0.546 -9.241 1.00 0.00 C ATOM 528 O ASP A 37 0.987 1.648 -8.707 1.00 0.00 O ATOM 529 CB ASP A 37 -0.057 1.665 -11.284 1.00 0.00 C ATOM 530 CG ASP A 37 0.739 2.375 -12.362 1.00 0.00 C ATOM 531 OD1 ASP A 37 1.620 1.733 -12.969 1.00 0.00 O ATOM 532 OD2 ASP A 37 0.481 3.575 -12.596 1.00 0.00 O ATOM 0 H ASP A 37 -1.088 -0.720 -10.885 1.00 0.00 H new ATOM 0 HA ASP A 37 1.643 0.352 -11.219 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.028 1.374 -11.685 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.246 2.355 -10.462 1.00 0.00 H new ATOM 537 N THR A 38 0.871 -0.595 -8.558 1.00 0.00 N ATOM 538 CA THR A 38 1.046 -0.617 -7.112 1.00 0.00 C ATOM 539 C THR A 38 2.512 -0.439 -6.732 1.00 0.00 C ATOM 540 O THR A 38 3.375 -1.203 -7.167 1.00 0.00 O ATOM 541 CB THR A 38 0.526 -1.933 -6.503 1.00 0.00 C ATOM 542 OG1 THR A 38 0.490 -2.955 -7.505 1.00 0.00 O ATOM 543 CG2 THR A 38 -0.862 -1.744 -5.913 1.00 0.00 C ATOM 0 H THR A 38 0.764 -1.516 -8.984 1.00 0.00 H new ATOM 0 HA THR A 38 0.466 0.215 -6.711 1.00 0.00 H new ATOM 0 HB THR A 38 1.205 -2.232 -5.704 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.431 -3.072 -7.820 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.208 -2.686 -5.489 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.825 -0.986 -5.131 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.550 -1.424 -6.696 1.00 0.00 H new ATOM 551 N THR A 39 2.789 0.575 -5.918 1.00 0.00 N ATOM 552 CA THR A 39 4.151 0.854 -5.480 1.00 0.00 C ATOM 553 C THR A 39 4.456 0.163 -4.156 1.00 0.00 C ATOM 554 O THR A 39 3.596 0.073 -3.278 1.00 0.00 O ATOM 555 CB THR A 39 4.393 2.367 -5.324 1.00 0.00 C ATOM 556 OG1 THR A 39 3.725 2.851 -4.153 1.00 0.00 O ATOM 557 CG2 THR A 39 3.896 3.123 -6.547 1.00 0.00 C ATOM 0 H THR A 39 2.088 1.217 -5.549 1.00 0.00 H new ATOM 0 HA THR A 39 4.816 0.465 -6.251 1.00 0.00 H new ATOM 0 HB THR A 39 5.466 2.534 -5.225 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.885 3.813 -4.059 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.077 4.190 -6.414 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.427 2.772 -7.432 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.827 2.950 -6.672 1.00 0.00 H new ATOM 565 N PHE A 40 5.684 -0.326 -4.017 1.00 0.00 N ATOM 566 CA PHE A 40 6.101 -1.010 -2.798 1.00 0.00 C ATOM 567 C PHE A 40 7.304 -0.315 -2.169 1.00 0.00 C ATOM 568 O PHE A 40 8.287 -0.018 -2.848 1.00 0.00 O ATOM 569 CB PHE A 40 6.442 -2.471 -3.100 1.00 0.00 C ATOM 570 CG PHE A 40 5.310 -3.235 -3.724 1.00 0.00 C ATOM 571 CD1 PHE A 40 4.951 -3.014 -5.044 1.00 0.00 C ATOM 572 CD2 PHE A 40 4.604 -4.175 -2.990 1.00 0.00 C ATOM 573 CE1 PHE A 40 3.909 -3.715 -5.619 1.00 0.00 C ATOM 574 CE2 PHE A 40 3.560 -4.880 -3.561 1.00 0.00 C ATOM 575 CZ PHE A 40 3.214 -4.650 -4.878 1.00 0.00 C ATOM 0 H PHE A 40 6.408 -0.261 -4.733 1.00 0.00 H new ATOM 0 HA PHE A 40 5.273 -0.976 -2.090 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.303 -2.504 -3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.737 -2.966 -2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.492 -2.286 -5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.872 -4.359 -1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.638 -3.532 -6.648 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.017 -5.609 -2.978 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.401 -5.201 -5.328 1.00 0.00 H new ATOM 585 N GLN A 41 7.217 -0.056 -0.868 1.00 0.00 N ATOM 586 CA GLN A 41 8.299 0.606 -0.147 1.00 0.00 C ATOM 587 C GLN A 41 8.769 -0.244 1.029 1.00 0.00 C ATOM 588 O GLN A 41 8.079 -0.357 2.042 1.00 0.00 O ATOM 589 CB GLN A 41 7.842 1.978 0.351 1.00 0.00 C ATOM 590 CG GLN A 41 8.696 3.126 -0.163 1.00 0.00 C ATOM 591 CD GLN A 41 7.945 4.442 -0.199 1.00 0.00 C ATOM 592 OE1 GLN A 41 8.175 5.324 0.629 1.00 0.00 O ATOM 593 NE2 GLN A 41 7.039 4.581 -1.160 1.00 0.00 N ATOM 0 H GLN A 41 6.410 -0.294 -0.292 1.00 0.00 H new ATOM 0 HA GLN A 41 9.135 0.736 -0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.808 2.140 0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.858 1.984 1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.576 3.232 0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.053 2.888 -1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.881 3.824 -1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.501 5.445 -1.233 1.00 0.00 H new ATOM 602 N TYR A 42 9.947 -0.840 0.887 1.00 0.00 N ATOM 603 CA TYR A 42 10.510 -1.682 1.937 1.00 0.00 C ATOM 604 C TYR A 42 11.449 -0.882 2.833 1.00 0.00 C ATOM 605 O TYR A 42 12.431 -0.305 2.364 1.00 0.00 O ATOM 606 CB TYR A 42 11.257 -2.868 1.323 1.00 0.00 C ATOM 607 CG TYR A 42 10.344 -3.925 0.744 1.00 0.00 C ATOM 608 CD1 TYR A 42 9.898 -3.842 -0.570 1.00 0.00 C ATOM 609 CD2 TYR A 42 9.929 -5.007 1.509 1.00 0.00 C ATOM 610 CE1 TYR A 42 9.065 -4.806 -1.103 1.00 0.00 C ATOM 611 CE2 TYR A 42 9.096 -5.976 0.984 1.00 0.00 C ATOM 612 CZ TYR A 42 8.666 -5.870 -0.322 1.00 0.00 C ATOM 613 OH TYR A 42 7.836 -6.833 -0.850 1.00 0.00 O ATOM 0 H TYR A 42 10.531 -0.756 0.055 1.00 0.00 H new ATOM 0 HA TYR A 42 9.688 -2.056 2.547 1.00 0.00 H new ATOM 0 HB2 TYR A 42 11.919 -2.502 0.538 1.00 0.00 H new ATOM 0 HB3 TYR A 42 11.888 -3.323 2.086 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.208 -3.010 -1.184 1.00 0.00 H new ATOM 0 HD2 TYR A 42 10.263 -5.093 2.532 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.728 -4.727 -2.126 1.00 0.00 H new ATOM 0 HE2 TYR A 42 8.783 -6.812 1.593 1.00 0.00 H new ATOM 0 HH TYR A 42 6.944 -6.749 -0.454 1.00 0.00 H new ATOM 623 N PHE A 43 11.141 -0.852 4.125 1.00 0.00 N ATOM 624 CA PHE A 43 11.958 -0.122 5.088 1.00 0.00 C ATOM 625 C PHE A 43 12.712 -1.084 6.001 1.00 0.00 C ATOM 626 O PHE A 43 12.148 -1.627 6.951 1.00 0.00 O ATOM 627 CB PHE A 43 11.082 0.813 5.925 1.00 0.00 C ATOM 628 CG PHE A 43 10.220 1.725 5.101 1.00 0.00 C ATOM 629 CD1 PHE A 43 10.767 2.827 4.463 1.00 0.00 C ATOM 630 CD2 PHE A 43 8.863 1.480 4.964 1.00 0.00 C ATOM 631 CE1 PHE A 43 9.974 3.669 3.703 1.00 0.00 C ATOM 632 CE2 PHE A 43 8.067 2.318 4.206 1.00 0.00 C ATOM 633 CZ PHE A 43 8.624 3.413 3.575 1.00 0.00 C ATOM 0 H PHE A 43 10.332 -1.324 4.530 1.00 0.00 H new ATOM 0 HA PHE A 43 12.686 0.471 4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.445 0.215 6.576 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.721 1.416 6.570 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.823 3.031 4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.422 0.625 5.455 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.411 4.525 3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.011 2.117 4.107 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.004 4.068 2.982 1.00 0.00 H new ATOM 643 N LYS A 44 13.991 -1.292 5.705 1.00 0.00 N ATOM 644 CA LYS A 44 14.825 -2.187 6.498 1.00 0.00 C ATOM 645 C LYS A 44 15.032 -1.634 7.904 1.00 0.00 C ATOM 646 O LYS A 44 15.331 -2.381 8.836 1.00 0.00 O ATOM 647 CB LYS A 44 16.179 -2.394 5.815 1.00 0.00 C ATOM 648 CG LYS A 44 16.620 -3.847 5.768 1.00 0.00 C ATOM 649 CD LYS A 44 17.594 -4.097 4.628 1.00 0.00 C ATOM 650 CE LYS A 44 16.906 -3.997 3.275 1.00 0.00 C ATOM 651 NZ LYS A 44 16.964 -2.614 2.724 1.00 0.00 N ATOM 0 H LYS A 44 14.473 -0.852 4.921 1.00 0.00 H new ATOM 0 HA LYS A 44 14.314 -3.146 6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.127 -2.006 4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.935 -1.810 6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.089 -4.117 6.714 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.747 -4.490 5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.408 -3.373 4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.039 -5.086 4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.378 -4.687 2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.865 -4.306 3.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.032 -2.162 2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.673 -2.061 3.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.227 -2.652 1.719 1.00 0.00 H new ATOM 665 N SER A 45 14.869 -0.324 8.051 1.00 0.00 N ATOM 666 CA SER A 45 15.041 0.328 9.344 1.00 0.00 C ATOM 667 C SER A 45 13.819 0.106 10.231 1.00 0.00 C ATOM 668 O SER A 45 13.867 0.330 11.440 1.00 0.00 O ATOM 669 CB SER A 45 15.281 1.828 9.155 1.00 0.00 C ATOM 670 OG SER A 45 16.414 2.063 8.336 1.00 0.00 O ATOM 0 H SER A 45 14.618 0.308 7.290 1.00 0.00 H new ATOM 0 HA SER A 45 15.909 -0.113 9.833 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.401 2.287 8.704 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.425 2.302 10.126 1.00 0.00 H new ATOM 0 HG SER A 45 16.546 3.028 8.229 1.00 0.00 H new ATOM 676 N PHE A 46 12.725 -0.338 9.620 1.00 0.00 N ATOM 677 CA PHE A 46 11.491 -0.591 10.352 1.00 0.00 C ATOM 678 C PHE A 46 10.821 -1.872 9.865 1.00 0.00 C ATOM 679 O PHE A 46 9.648 -2.119 10.144 1.00 0.00 O ATOM 680 CB PHE A 46 10.530 0.590 10.199 1.00 0.00 C ATOM 681 CG PHE A 46 11.115 1.900 10.642 1.00 0.00 C ATOM 682 CD1 PHE A 46 11.015 2.306 11.964 1.00 0.00 C ATOM 683 CD2 PHE A 46 11.765 2.726 9.739 1.00 0.00 C ATOM 684 CE1 PHE A 46 11.551 3.512 12.374 1.00 0.00 C ATOM 685 CE2 PHE A 46 12.304 3.932 10.144 1.00 0.00 C ATOM 686 CZ PHE A 46 12.198 4.325 11.464 1.00 0.00 C ATOM 0 H PHE A 46 12.669 -0.530 8.620 1.00 0.00 H new ATOM 0 HA PHE A 46 11.743 -0.712 11.406 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.229 0.670 9.154 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.627 0.391 10.776 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.513 1.673 12.681 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.851 2.423 8.706 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.464 3.819 13.406 1.00 0.00 H new ATOM 0 HE2 PHE A 46 12.807 4.566 9.430 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.620 5.266 11.784 1.00 0.00 H new ATOM 696 N LYS A 47 11.576 -2.686 9.134 1.00 0.00 N ATOM 697 CA LYS A 47 11.059 -3.943 8.607 1.00 0.00 C ATOM 698 C LYS A 47 9.605 -3.793 8.172 1.00 0.00 C ATOM 699 O LYS A 47 8.824 -4.742 8.246 1.00 0.00 O ATOM 700 CB LYS A 47 11.177 -5.048 9.659 1.00 0.00 C ATOM 701 CG LYS A 47 12.611 -5.439 9.972 1.00 0.00 C ATOM 702 CD LYS A 47 13.098 -6.550 9.056 1.00 0.00 C ATOM 703 CE LYS A 47 14.610 -6.704 9.122 1.00 0.00 C ATOM 704 NZ LYS A 47 15.025 -7.647 10.197 1.00 0.00 N ATOM 0 H LYS A 47 12.549 -2.497 8.893 1.00 0.00 H new ATOM 0 HA LYS A 47 11.654 -4.215 7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.691 -4.718 10.577 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.637 -5.928 9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.258 -4.568 9.866 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.682 -5.764 11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.623 -7.490 9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.797 -6.336 8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.981 -7.062 8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.067 -5.730 9.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.062 -7.725 10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.693 -7.293 11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.610 -8.583 10.017 1.00 0.00 H new ATOM 718 N ARG A 48 9.247 -2.596 7.719 1.00 0.00 N ATOM 719 CA ARG A 48 7.886 -2.323 7.273 1.00 0.00 C ATOM 720 C ARG A 48 7.806 -2.315 5.749 1.00 0.00 C ATOM 721 O ARG A 48 8.818 -2.171 5.063 1.00 0.00 O ATOM 722 CB ARG A 48 7.405 -0.982 7.827 1.00 0.00 C ATOM 723 CG ARG A 48 6.519 -1.113 9.054 1.00 0.00 C ATOM 724 CD ARG A 48 5.959 0.234 9.484 1.00 0.00 C ATOM 725 NE ARG A 48 5.652 0.270 10.911 1.00 0.00 N ATOM 726 CZ ARG A 48 5.242 1.362 11.548 1.00 0.00 C ATOM 727 NH1 ARG A 48 5.090 2.501 10.886 1.00 0.00 N ATOM 728 NH2 ARG A 48 4.985 1.316 12.849 1.00 0.00 N ATOM 0 H ARG A 48 9.881 -1.800 7.651 1.00 0.00 H new ATOM 0 HA ARG A 48 7.240 -3.116 7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.272 -0.371 8.079 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.857 -0.452 7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.698 -1.798 8.840 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.092 -1.548 9.873 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.679 1.018 9.249 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.056 0.450 8.914 1.00 0.00 H new ATOM 0 HE ARG A 48 5.758 -0.590 11.449 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.288 2.540 9.886 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.775 3.338 11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.102 0.442 13.361 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.670 2.155 13.337 1.00 0.00 H new ATOM 742 N VAL A 49 6.594 -2.471 5.224 1.00 0.00 N ATOM 743 CA VAL A 49 6.380 -2.481 3.782 1.00 0.00 C ATOM 744 C VAL A 49 5.134 -1.688 3.407 1.00 0.00 C ATOM 745 O VAL A 49 4.009 -2.145 3.614 1.00 0.00 O ATOM 746 CB VAL A 49 6.244 -3.917 3.245 1.00 0.00 C ATOM 747 CG1 VAL A 49 6.262 -3.923 1.724 1.00 0.00 C ATOM 748 CG2 VAL A 49 7.350 -4.801 3.802 1.00 0.00 C ATOM 0 H VAL A 49 5.745 -2.592 5.777 1.00 0.00 H new ATOM 0 HA VAL A 49 7.254 -2.014 3.328 1.00 0.00 H new ATOM 0 HB VAL A 49 5.286 -4.320 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.165 -4.947 1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.432 -3.325 1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.202 -3.501 1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.238 -5.813 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.320 -4.402 3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.285 -4.822 4.890 1.00 0.00 H new ATOM 758 N ARG A 50 5.340 -0.499 2.850 1.00 0.00 N ATOM 759 CA ARG A 50 4.232 0.358 2.445 1.00 0.00 C ATOM 760 C ARG A 50 3.852 0.102 0.990 1.00 0.00 C ATOM 761 O ARG A 50 4.637 0.362 0.078 1.00 0.00 O ATOM 762 CB ARG A 50 4.602 1.830 2.636 1.00 0.00 C ATOM 763 CG ARG A 50 3.415 2.774 2.539 1.00 0.00 C ATOM 764 CD ARG A 50 3.549 3.720 1.355 1.00 0.00 C ATOM 765 NE ARG A 50 3.109 5.073 1.684 1.00 0.00 N ATOM 766 CZ ARG A 50 3.051 6.062 0.798 1.00 0.00 C ATOM 767 NH1 ARG A 50 3.402 5.849 -0.462 1.00 0.00 N ATOM 768 NH2 ARG A 50 2.640 7.266 1.173 1.00 0.00 N ATOM 0 H ARG A 50 6.264 -0.107 2.669 1.00 0.00 H new ATOM 0 HA ARG A 50 3.373 0.122 3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.075 1.953 3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.341 2.111 1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.496 2.196 2.442 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.332 3.352 3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.588 3.746 1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.961 3.341 0.519 1.00 0.00 H new ATOM 0 HE ARG A 50 2.831 5.270 2.646 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.718 4.924 -0.754 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.356 6.610 -1.140 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.368 7.433 2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.596 8.025 0.493 1.00 0.00 H new ATOM 782 N ILE A 51 2.642 -0.408 0.781 1.00 0.00 N ATOM 783 CA ILE A 51 2.157 -0.698 -0.562 1.00 0.00 C ATOM 784 C ILE A 51 1.089 0.302 -0.989 1.00 0.00 C ATOM 785 O ILE A 51 -0.052 0.241 -0.531 1.00 0.00 O ATOM 786 CB ILE A 51 1.579 -2.122 -0.657 1.00 0.00 C ATOM 787 CG1 ILE A 51 2.593 -3.143 -0.139 1.00 0.00 C ATOM 788 CG2 ILE A 51 1.186 -2.440 -2.092 1.00 0.00 C ATOM 789 CD1 ILE A 51 2.215 -3.746 1.197 1.00 0.00 C ATOM 0 H ILE A 51 1.980 -0.629 1.525 1.00 0.00 H new ATOM 0 HA ILE A 51 3.014 -0.618 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 51 0.685 -2.177 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.699 -3.942 -0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.567 -2.662 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.779 -3.450 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.433 -1.728 -2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.064 -2.370 -2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.979 -4.461 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.138 -2.956 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.256 -4.256 1.108 1.00 0.00 H new ATOM 801 N ASN A 52 1.465 1.223 -1.871 1.00 0.00 N ATOM 802 CA ASN A 52 0.538 2.237 -2.361 1.00 0.00 C ATOM 803 C ASN A 52 -0.167 1.761 -3.627 1.00 0.00 C ATOM 804 O ASN A 52 0.464 1.232 -4.542 1.00 0.00 O ATOM 805 CB ASN A 52 1.280 3.545 -2.637 1.00 0.00 C ATOM 806 CG ASN A 52 0.551 4.753 -2.080 1.00 0.00 C ATOM 807 OD1 ASN A 52 0.012 5.567 -2.829 1.00 0.00 O ATOM 808 ND2 ASN A 52 0.533 4.874 -0.757 1.00 0.00 N ATOM 0 H ASN A 52 2.405 1.288 -2.261 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.214 2.410 -1.591 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.277 3.493 -2.200 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.409 3.666 -3.713 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.059 5.666 -0.324 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.993 4.175 -0.175 1.00 0.00 H new ATOM 815 N PHE A 53 -1.481 1.956 -3.674 1.00 0.00 N ATOM 816 CA PHE A 53 -2.273 1.547 -4.828 1.00 0.00 C ATOM 817 C PHE A 53 -2.670 2.755 -5.671 1.00 0.00 C ATOM 818 O PHE A 53 -2.312 3.890 -5.356 1.00 0.00 O ATOM 819 CB PHE A 53 -3.527 0.794 -4.373 1.00 0.00 C ATOM 820 CG PHE A 53 -3.239 -0.320 -3.409 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.877 -0.046 -2.100 1.00 0.00 C ATOM 822 CD2 PHE A 53 -3.330 -1.643 -3.811 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.612 -1.070 -1.211 1.00 0.00 C ATOM 824 CE2 PHE A 53 -3.065 -2.672 -2.925 1.00 0.00 C ATOM 825 CZ PHE A 53 -2.707 -2.385 -1.624 1.00 0.00 C ATOM 0 H PHE A 53 -2.019 2.394 -2.927 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.661 0.884 -5.440 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.215 1.499 -3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.033 0.385 -5.248 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.801 0.980 -1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.611 -1.874 -4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.331 -0.842 -0.193 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.138 -3.699 -3.252 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.501 -3.186 -0.930 1.00 0.00 H new ATOM 835 N SER A 54 -3.413 2.503 -6.744 1.00 0.00 N ATOM 836 CA SER A 54 -3.855 3.568 -7.637 1.00 0.00 C ATOM 837 C SER A 54 -5.306 3.944 -7.354 1.00 0.00 C ATOM 838 O SER A 54 -5.867 4.828 -8.002 1.00 0.00 O ATOM 839 CB SER A 54 -3.703 3.137 -9.096 1.00 0.00 C ATOM 840 OG SER A 54 -4.025 4.198 -9.978 1.00 0.00 O ATOM 0 H SER A 54 -3.722 1.570 -7.016 1.00 0.00 H new ATOM 0 HA SER A 54 -3.229 4.442 -7.458 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.680 2.808 -9.276 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.352 2.284 -9.296 1.00 0.00 H new ATOM 0 HG SER A 54 -4.651 4.811 -9.538 1.00 0.00 H new ATOM 846 N ASN A 55 -5.909 3.267 -6.383 1.00 0.00 N ATOM 847 CA ASN A 55 -7.296 3.529 -6.015 1.00 0.00 C ATOM 848 C ASN A 55 -7.586 3.033 -4.601 1.00 0.00 C ATOM 849 O ASN A 55 -7.061 2.013 -4.154 1.00 0.00 O ATOM 850 CB ASN A 55 -8.245 2.856 -7.009 1.00 0.00 C ATOM 851 CG ASN A 55 -7.847 1.424 -7.308 1.00 0.00 C ATOM 852 OD1 ASN A 55 -8.187 0.504 -6.564 1.00 0.00 O ATOM 853 ND2 ASN A 55 -7.123 1.228 -8.404 1.00 0.00 N ATOM 0 H ASN A 55 -5.459 2.533 -5.836 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.457 4.607 -6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.258 2.873 -6.608 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.260 3.428 -7.937 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.826 0.286 -8.658 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.864 2.020 -8.992 1.00 0.00 H new ATOM 860 N PRO A 56 -8.443 3.771 -3.880 1.00 0.00 N ATOM 861 CA PRO A 56 -8.824 3.425 -2.507 1.00 0.00 C ATOM 862 C PRO A 56 -9.694 2.174 -2.444 1.00 0.00 C ATOM 863 O PRO A 56 -10.147 1.774 -1.371 1.00 0.00 O ATOM 864 CB PRO A 56 -9.613 4.650 -2.039 1.00 0.00 C ATOM 865 CG PRO A 56 -10.142 5.261 -3.290 1.00 0.00 C ATOM 866 CD PRO A 56 -9.106 4.998 -4.348 1.00 0.00 C ATOM 0 HA PRO A 56 -7.956 3.198 -1.888 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.421 4.366 -1.365 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.975 5.348 -1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.101 4.821 -3.564 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.307 6.331 -3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.560 4.860 -5.329 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.403 5.826 -4.436 1.00 0.00 H new ATOM 874 N LEU A 57 -9.925 1.561 -3.600 1.00 0.00 N ATOM 875 CA LEU A 57 -10.742 0.355 -3.676 1.00 0.00 C ATOM 876 C LEU A 57 -9.896 -0.891 -3.433 1.00 0.00 C ATOM 877 O LEU A 57 -10.089 -1.600 -2.445 1.00 0.00 O ATOM 878 CB LEU A 57 -11.423 0.262 -5.043 1.00 0.00 C ATOM 879 CG LEU A 57 -12.315 1.443 -5.429 1.00 0.00 C ATOM 880 CD1 LEU A 57 -12.518 1.489 -6.936 1.00 0.00 C ATOM 881 CD2 LEU A 57 -13.655 1.356 -4.712 1.00 0.00 C ATOM 0 H LEU A 57 -9.558 1.879 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.505 0.413 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.651 0.151 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.026 -0.646 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.819 2.364 -5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.155 2.336 -7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.553 1.599 -7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.992 0.565 -7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.277 2.204 -4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.156 0.429 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.493 1.373 -3.634 1.00 0.00 H new ATOM 893 N SER A 58 -8.958 -1.151 -4.337 1.00 0.00 N ATOM 894 CA SER A 58 -8.084 -2.311 -4.221 1.00 0.00 C ATOM 895 C SER A 58 -7.453 -2.381 -2.834 1.00 0.00 C ATOM 896 O SER A 58 -7.377 -3.449 -2.227 1.00 0.00 O ATOM 897 CB SER A 58 -6.989 -2.261 -5.289 1.00 0.00 C ATOM 898 OG SER A 58 -6.974 -3.451 -6.060 1.00 0.00 O ATOM 0 H SER A 58 -8.784 -0.573 -5.159 1.00 0.00 H new ATOM 0 HA SER A 58 -8.689 -3.205 -4.372 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.152 -1.403 -5.941 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.019 -2.120 -4.813 1.00 0.00 H new ATOM 0 HG SER A 58 -6.382 -3.333 -6.832 1.00 0.00 H new ATOM 904 N ALA A 59 -7.003 -1.233 -2.337 1.00 0.00 N ATOM 905 CA ALA A 59 -6.382 -1.161 -1.021 1.00 0.00 C ATOM 906 C ALA A 59 -7.155 -1.992 -0.003 1.00 0.00 C ATOM 907 O ALA A 59 -6.574 -2.548 0.929 1.00 0.00 O ATOM 908 CB ALA A 59 -6.285 0.286 -0.561 1.00 0.00 C ATOM 0 H ALA A 59 -7.057 -0.340 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.376 -1.574 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.819 0.324 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.682 0.854 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.284 0.718 -0.507 1.00 0.00 H new ATOM 914 N ALA A 60 -8.469 -2.073 -0.186 1.00 0.00 N ATOM 915 CA ALA A 60 -9.322 -2.837 0.715 1.00 0.00 C ATOM 916 C ALA A 60 -9.173 -4.335 0.473 1.00 0.00 C ATOM 917 O ALA A 60 -8.781 -5.083 1.371 1.00 0.00 O ATOM 918 CB ALA A 60 -10.775 -2.416 0.551 1.00 0.00 C ATOM 0 H ALA A 60 -8.966 -1.618 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.008 -2.627 1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.401 -2.995 1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.875 -1.355 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.092 -2.596 -0.476 1.00 0.00 H new ATOM 924 N ASP A 61 -9.486 -4.768 -0.742 1.00 0.00 N ATOM 925 CA ASP A 61 -9.387 -6.178 -1.102 1.00 0.00 C ATOM 926 C ASP A 61 -8.009 -6.731 -0.754 1.00 0.00 C ATOM 927 O ASP A 61 -7.869 -7.906 -0.414 1.00 0.00 O ATOM 928 CB ASP A 61 -9.665 -6.367 -2.594 1.00 0.00 C ATOM 929 CG ASP A 61 -10.870 -7.249 -2.852 1.00 0.00 C ATOM 930 OD1 ASP A 61 -12.002 -6.803 -2.574 1.00 0.00 O ATOM 931 OD2 ASP A 61 -10.681 -8.387 -3.331 1.00 0.00 O ATOM 0 H ASP A 61 -9.811 -4.163 -1.496 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.135 -6.727 -0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.826 -5.393 -3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.789 -6.806 -3.071 1.00 0.00 H new ATOM 936 N ALA A 62 -6.995 -5.878 -0.843 1.00 0.00 N ATOM 937 CA ALA A 62 -5.627 -6.281 -0.536 1.00 0.00 C ATOM 938 C ALA A 62 -5.490 -6.689 0.927 1.00 0.00 C ATOM 939 O ALA A 62 -4.614 -7.478 1.281 1.00 0.00 O ATOM 940 CB ALA A 62 -4.659 -5.155 -0.865 1.00 0.00 C ATOM 0 H ALA A 62 -7.094 -4.903 -1.125 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.383 -7.147 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.642 -5.470 -0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.729 -4.913 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.911 -4.274 -0.275 1.00 0.00 H new ATOM 946 N ARG A 63 -6.361 -6.146 1.772 1.00 0.00 N ATOM 947 CA ARG A 63 -6.334 -6.453 3.197 1.00 0.00 C ATOM 948 C ARG A 63 -6.962 -7.817 3.471 1.00 0.00 C ATOM 949 O ARG A 63 -6.293 -8.735 3.948 1.00 0.00 O ATOM 950 CB ARG A 63 -7.075 -5.372 3.987 1.00 0.00 C ATOM 951 CG ARG A 63 -6.949 -5.525 5.493 1.00 0.00 C ATOM 952 CD ARG A 63 -7.323 -4.240 6.217 1.00 0.00 C ATOM 953 NE ARG A 63 -8.187 -4.492 7.367 1.00 0.00 N ATOM 954 CZ ARG A 63 -9.463 -4.845 7.264 1.00 0.00 C ATOM 955 NH1 ARG A 63 -10.021 -4.989 6.069 1.00 0.00 N ATOM 956 NH2 ARG A 63 -10.185 -5.056 8.357 1.00 0.00 N ATOM 0 H ARG A 63 -7.093 -5.492 1.495 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.293 -6.480 3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.691 -4.394 3.696 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.130 -5.394 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.593 -6.336 5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.926 -5.803 5.747 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.416 -3.734 6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.829 -3.567 5.524 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.789 -4.391 8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.470 -4.828 5.226 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.001 -5.260 5.993 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.760 -4.947 9.278 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.165 -5.327 8.276 1.00 0.00 H new ATOM 970 N LEU A 64 -8.249 -7.942 3.167 1.00 0.00 N ATOM 971 CA LEU A 64 -8.967 -9.194 3.380 1.00 0.00 C ATOM 972 C LEU A 64 -8.201 -10.371 2.782 1.00 0.00 C ATOM 973 O LEU A 64 -8.174 -11.461 3.352 1.00 0.00 O ATOM 974 CB LEU A 64 -10.365 -9.114 2.765 1.00 0.00 C ATOM 975 CG LEU A 64 -10.515 -9.704 1.362 1.00 0.00 C ATOM 976 CD1 LEU A 64 -10.696 -11.213 1.434 1.00 0.00 C ATOM 977 CD2 LEU A 64 -11.686 -9.060 0.635 1.00 0.00 C ATOM 0 H LEU A 64 -8.817 -7.192 2.772 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.058 -9.353 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.062 -9.625 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.666 -8.067 2.731 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.604 -9.494 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.801 -11.615 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.827 -11.661 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.590 -11.445 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.778 -9.492 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.604 -9.239 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.516 -7.987 0.551 1.00 0.00 H new ATOM 989 N ARG A 65 -7.579 -10.140 1.631 1.00 0.00 N ATOM 990 CA ARG A 65 -6.812 -11.180 0.956 1.00 0.00 C ATOM 991 C ARG A 65 -5.488 -11.431 1.672 1.00 0.00 C ATOM 992 O ARG A 65 -4.890 -12.499 1.538 1.00 0.00 O ATOM 993 CB ARG A 65 -6.550 -10.786 -0.499 1.00 0.00 C ATOM 994 CG ARG A 65 -7.620 -11.271 -1.463 1.00 0.00 C ATOM 995 CD ARG A 65 -7.023 -12.104 -2.587 1.00 0.00 C ATOM 996 NE ARG A 65 -7.771 -11.960 -3.832 1.00 0.00 N ATOM 997 CZ ARG A 65 -7.266 -12.236 -5.029 1.00 0.00 C ATOM 998 NH1 ARG A 65 -6.017 -12.668 -5.142 1.00 0.00 N ATOM 999 NH2 ARG A 65 -8.010 -12.079 -6.118 1.00 0.00 N ATOM 0 H ARG A 65 -7.591 -9.243 1.146 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.397 -12.100 0.977 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.478 -9.700 -0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.585 -11.189 -0.808 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.357 -11.864 -0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.147 -10.415 -1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.988 -11.804 -2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.009 -13.153 -2.292 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.734 -11.629 -3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.442 -12.789 -4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.632 -12.879 -6.063 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.971 -11.746 -6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.621 -12.291 -7.037 1.00 0.00 H new ATOM 1013 N LEU A 66 -5.035 -10.440 2.432 1.00 0.00 N ATOM 1014 CA LEU A 66 -3.782 -10.553 3.170 1.00 0.00 C ATOM 1015 C LEU A 66 -4.003 -10.308 4.659 1.00 0.00 C ATOM 1016 O LEU A 66 -5.055 -10.642 5.205 1.00 0.00 O ATOM 1017 CB LEU A 66 -2.756 -9.558 2.625 1.00 0.00 C ATOM 1018 CG LEU A 66 -2.656 -9.463 1.103 1.00 0.00 C ATOM 1019 CD1 LEU A 66 -1.854 -8.237 0.696 1.00 0.00 C ATOM 1020 CD2 LEU A 66 -2.030 -10.726 0.530 1.00 0.00 C ATOM 0 H LEU A 66 -5.517 -9.549 2.553 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.402 -11.566 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.996 -8.569 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.775 -9.827 3.017 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.663 -9.364 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.794 -8.186 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.344 -7.340 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.849 -8.305 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.967 -10.641 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.030 -10.856 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.645 -11.587 0.791 1.00 0.00 H new ATOM 1032 N HIS A 67 -3.004 -9.722 5.312 1.00 0.00 N ATOM 1033 CA HIS A 67 -3.091 -9.430 6.739 1.00 0.00 C ATOM 1034 C HIS A 67 -2.704 -10.651 7.567 1.00 0.00 C ATOM 1035 O HIS A 67 -1.858 -11.448 7.162 1.00 0.00 O ATOM 1036 CB HIS A 67 -4.505 -8.979 7.104 1.00 0.00 C ATOM 1037 CG HIS A 67 -4.550 -8.020 8.254 1.00 0.00 C ATOM 1038 ND1 HIS A 67 -3.421 -7.581 8.912 1.00 0.00 N ATOM 1039 CD2 HIS A 67 -5.597 -7.416 8.862 1.00 0.00 C ATOM 1040 CE1 HIS A 67 -3.771 -6.748 9.876 1.00 0.00 C ATOM 1041 NE2 HIS A 67 -5.087 -6.631 9.867 1.00 0.00 N ATOM 0 H HIS A 67 -2.126 -9.440 4.876 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.392 -8.624 6.963 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.964 -8.511 6.233 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.105 -9.855 7.349 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -6.640 -7.530 8.605 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.097 -6.248 10.555 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.635 -6.052 10.503 1.00 0.00 H new ATOM 1049 N LYS A 68 -3.328 -10.791 8.733 1.00 0.00 N ATOM 1050 CA LYS A 68 -3.050 -11.914 9.620 1.00 0.00 C ATOM 1051 C LYS A 68 -2.751 -13.179 8.820 1.00 0.00 C ATOM 1052 O LYS A 68 -1.969 -14.028 9.249 1.00 0.00 O ATOM 1053 CB LYS A 68 -4.238 -12.159 10.554 1.00 0.00 C ATOM 1054 CG LYS A 68 -4.457 -11.045 11.563 1.00 0.00 C ATOM 1055 CD LYS A 68 -5.923 -10.660 11.658 1.00 0.00 C ATOM 1056 CE LYS A 68 -6.748 -11.761 12.309 1.00 0.00 C ATOM 1057 NZ LYS A 68 -7.698 -11.219 13.319 1.00 0.00 N ATOM 0 H LYS A 68 -4.030 -10.140 9.085 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.172 -11.665 10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.141 -12.279 9.956 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.083 -13.096 11.088 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.099 -11.364 12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.869 -10.173 11.277 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.022 -9.740 12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.312 -10.454 10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.303 -12.301 11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.082 -12.480 12.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.241 -12.000 13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.167 -10.726 14.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.350 -10.552 12.859 1.00 0.00 H new ATOM 1071 N THR A 69 -3.376 -13.296 7.652 1.00 0.00 N ATOM 1072 CA THR A 69 -3.176 -14.456 6.793 1.00 0.00 C ATOM 1073 C THR A 69 -1.749 -14.981 6.900 1.00 0.00 C ATOM 1074 O THR A 69 -0.789 -14.228 6.743 1.00 0.00 O ATOM 1075 CB THR A 69 -3.478 -14.122 5.320 1.00 0.00 C ATOM 1076 OG1 THR A 69 -2.644 -13.044 4.880 1.00 0.00 O ATOM 1077 CG2 THR A 69 -4.940 -13.742 5.140 1.00 0.00 C ATOM 0 H THR A 69 -4.024 -12.602 7.280 1.00 0.00 H new ATOM 0 HA THR A 69 -3.869 -15.225 7.134 1.00 0.00 H new ATOM 0 HB THR A 69 -3.272 -15.009 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.313 -12.548 5.658 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.129 -13.510 4.092 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.573 -14.574 5.448 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.167 -12.869 5.751 1.00 0.00 H new ATOM 1085 N GLU A 70 -1.618 -16.276 7.169 1.00 0.00 N ATOM 1086 CA GLU A 70 -0.307 -16.901 7.298 1.00 0.00 C ATOM 1087 C GLU A 70 0.425 -16.910 5.959 1.00 0.00 C ATOM 1088 O GLU A 70 0.313 -17.859 5.184 1.00 0.00 O ATOM 1089 CB GLU A 70 -0.447 -18.331 7.824 1.00 0.00 C ATOM 1090 CG GLU A 70 -0.058 -18.483 9.285 1.00 0.00 C ATOM 1091 CD GLU A 70 -0.296 -19.885 9.809 1.00 0.00 C ATOM 1092 OE1 GLU A 70 -1.454 -20.203 10.149 1.00 0.00 O ATOM 1093 OE2 GLU A 70 0.678 -20.664 9.880 1.00 0.00 O ATOM 0 H GLU A 70 -2.404 -16.913 7.302 1.00 0.00 H new ATOM 0 HA GLU A 70 0.277 -16.316 8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.479 -18.657 7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.174 -18.993 7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.995 -18.228 9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.628 -17.773 9.885 1.00 0.00 H new ATOM 1100 N PHE A 71 1.174 -15.845 5.693 1.00 0.00 N ATOM 1101 CA PHE A 71 1.923 -15.728 4.448 1.00 0.00 C ATOM 1102 C PHE A 71 3.195 -16.570 4.497 1.00 0.00 C ATOM 1103 O PHE A 71 4.174 -16.200 5.147 1.00 0.00 O ATOM 1104 CB PHE A 71 2.278 -14.265 4.176 1.00 0.00 C ATOM 1105 CG PHE A 71 3.432 -14.093 3.230 1.00 0.00 C ATOM 1106 CD1 PHE A 71 4.734 -14.063 3.702 1.00 0.00 C ATOM 1107 CD2 PHE A 71 3.214 -13.961 1.867 1.00 0.00 C ATOM 1108 CE1 PHE A 71 5.798 -13.906 2.834 1.00 0.00 C ATOM 1109 CE2 PHE A 71 4.274 -13.804 0.995 1.00 0.00 C ATOM 1110 CZ PHE A 71 5.568 -13.775 1.479 1.00 0.00 C ATOM 0 H PHE A 71 1.278 -15.050 6.324 1.00 0.00 H new ATOM 0 HA PHE A 71 1.293 -16.098 3.639 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.404 -13.758 3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.517 -13.776 5.120 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.920 -14.164 4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.205 -13.981 1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.808 -13.886 3.215 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.091 -13.704 -0.065 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.398 -13.650 0.799 1.00 0.00 H new ATOM 1120 N LEU A 72 3.173 -17.705 3.807 1.00 0.00 N ATOM 1121 CA LEU A 72 4.322 -18.602 3.771 1.00 0.00 C ATOM 1122 C LEU A 72 4.610 -19.175 5.156 1.00 0.00 C ATOM 1123 O LEU A 72 5.678 -19.735 5.397 1.00 0.00 O ATOM 1124 CB LEU A 72 5.555 -17.863 3.248 1.00 0.00 C ATOM 1125 CG LEU A 72 5.922 -18.121 1.785 1.00 0.00 C ATOM 1126 CD1 LEU A 72 6.189 -16.810 1.063 1.00 0.00 C ATOM 1127 CD2 LEU A 72 7.132 -19.040 1.693 1.00 0.00 C ATOM 0 H LEU A 72 2.371 -18.026 3.264 1.00 0.00 H new ATOM 0 HA LEU A 72 4.086 -19.426 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.395 -16.793 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.408 -18.136 3.869 1.00 0.00 H new ATOM 0 HG LEU A 72 5.079 -18.614 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.448 -17.013 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.296 -16.186 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.015 -16.289 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.379 -19.213 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.981 -18.575 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.904 -19.991 2.174 1.00 0.00 H new ATOM 1139 N GLY A 73 3.646 -19.031 6.062 1.00 0.00 N ATOM 1140 CA GLY A 73 3.814 -19.541 7.410 1.00 0.00 C ATOM 1141 C GLY A 73 3.838 -18.437 8.448 1.00 0.00 C ATOM 1142 O GLY A 73 3.449 -18.646 9.597 1.00 0.00 O ATOM 0 H GLY A 73 2.753 -18.571 5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.002 -20.232 7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.742 -20.110 7.467 1.00 0.00 H new ATOM 1146 N LYS A 74 4.297 -17.257 8.045 1.00 0.00 N ATOM 1147 CA LYS A 74 4.372 -16.115 8.948 1.00 0.00 C ATOM 1148 C LYS A 74 3.158 -15.207 8.777 1.00 0.00 C ATOM 1149 O LYS A 74 2.614 -15.084 7.680 1.00 0.00 O ATOM 1150 CB LYS A 74 5.656 -15.322 8.696 1.00 0.00 C ATOM 1151 CG LYS A 74 6.782 -15.666 9.656 1.00 0.00 C ATOM 1152 CD LYS A 74 6.334 -15.553 11.104 1.00 0.00 C ATOM 1153 CE LYS A 74 7.484 -15.146 12.012 1.00 0.00 C ATOM 1154 NZ LYS A 74 7.568 -16.009 13.222 1.00 0.00 N ATOM 0 H LYS A 74 4.623 -17.067 7.097 1.00 0.00 H new ATOM 0 HA LYS A 74 4.381 -16.492 9.971 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.992 -15.505 7.675 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.436 -14.257 8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.131 -16.680 9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.626 -14.999 9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.531 -14.820 11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.927 -16.508 11.436 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.421 -15.204 11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.357 -14.107 12.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.364 -15.699 13.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.683 -15.934 13.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.715 -16.997 12.934 1.00 0.00 H new ATOM 1168 N GLU A 75 2.742 -14.571 9.868 1.00 0.00 N ATOM 1169 CA GLU A 75 1.593 -13.674 9.837 1.00 0.00 C ATOM 1170 C GLU A 75 2.033 -12.236 9.576 1.00 0.00 C ATOM 1171 O GLU A 75 2.863 -11.689 10.299 1.00 0.00 O ATOM 1172 CB GLU A 75 0.821 -13.751 11.155 1.00 0.00 C ATOM 1173 CG GLU A 75 -0.262 -12.694 11.289 1.00 0.00 C ATOM 1174 CD GLU A 75 -0.112 -11.861 12.547 1.00 0.00 C ATOM 1175 OE1 GLU A 75 0.735 -10.943 12.553 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -0.840 -12.126 13.526 1.00 0.00 O ATOM 0 H GLU A 75 3.183 -14.660 10.783 1.00 0.00 H new ATOM 0 HA GLU A 75 0.940 -13.990 9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.367 -14.738 11.243 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.522 -13.648 11.983 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.234 -12.039 10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.239 -13.178 11.293 1.00 0.00 H new ATOM 1183 N MET A 76 1.470 -11.631 8.535 1.00 0.00 N ATOM 1184 CA MET A 76 1.803 -10.257 8.179 1.00 0.00 C ATOM 1185 C MET A 76 0.670 -9.307 8.553 1.00 0.00 C ATOM 1186 O MET A 76 -0.502 -9.595 8.308 1.00 0.00 O ATOM 1187 CB MET A 76 2.097 -10.152 6.680 1.00 0.00 C ATOM 1188 CG MET A 76 2.122 -8.723 6.164 1.00 0.00 C ATOM 1189 SD MET A 76 0.735 -8.355 5.072 1.00 0.00 S ATOM 1190 CE MET A 76 0.948 -9.616 3.818 1.00 0.00 C ATOM 0 H MET A 76 0.782 -12.070 7.924 1.00 0.00 H new ATOM 0 HA MET A 76 2.693 -9.970 8.738 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.059 -10.621 6.473 1.00 0.00 H new ATOM 0 HB3 MET A 76 1.343 -10.715 6.130 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.106 -8.035 7.009 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.056 -8.550 5.630 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.654 -9.217 2.847 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.994 -9.922 3.784 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.326 -10.478 4.059 1.00 0.00 H new ATOM 1200 N LYS A 77 1.025 -8.174 9.149 1.00 0.00 N ATOM 1201 CA LYS A 77 0.038 -7.181 9.557 1.00 0.00 C ATOM 1202 C LYS A 77 -0.155 -6.128 8.471 1.00 0.00 C ATOM 1203 O LYS A 77 0.656 -6.013 7.551 1.00 0.00 O ATOM 1204 CB LYS A 77 0.470 -6.509 10.862 1.00 0.00 C ATOM 1205 CG LYS A 77 -0.073 -7.193 12.105 1.00 0.00 C ATOM 1206 CD LYS A 77 0.461 -6.548 13.374 1.00 0.00 C ATOM 1207 CE LYS A 77 1.743 -7.218 13.844 1.00 0.00 C ATOM 1208 NZ LYS A 77 2.891 -6.271 13.858 1.00 0.00 N ATOM 0 H LYS A 77 1.990 -7.920 9.361 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.911 -7.693 9.716 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.559 -6.495 10.911 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.138 -5.471 10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.162 -7.145 12.102 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.200 -8.248 12.089 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.648 -5.489 13.194 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.292 -6.610 14.159 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.595 -7.624 14.845 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.974 -8.059 13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.745 -6.766 14.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.049 -5.903 12.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.682 -5.481 14.502 1.00 0.00 H new ATOM 1222 N LEU A 78 -1.232 -5.359 8.583 1.00 0.00 N ATOM 1223 CA LEU A 78 -1.531 -4.313 7.611 1.00 0.00 C ATOM 1224 C LEU A 78 -2.309 -3.172 8.260 1.00 0.00 C ATOM 1225 O LEU A 78 -3.357 -3.391 8.870 1.00 0.00 O ATOM 1226 CB LEU A 78 -2.330 -4.889 6.441 1.00 0.00 C ATOM 1227 CG LEU A 78 -1.511 -5.538 5.324 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -2.252 -6.730 4.740 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -1.193 -4.521 4.238 1.00 0.00 C ATOM 0 H LEU A 78 -1.913 -5.440 9.338 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.586 -3.918 7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.026 -5.631 6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.929 -4.088 6.007 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.572 -5.894 5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.653 -7.178 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.428 -7.468 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.207 -6.400 4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.610 -4.999 3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.122 -4.135 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.619 -3.699 4.666 1.00 0.00 H new ATOM 1241 N TYR A 79 -1.793 -1.957 8.123 1.00 0.00 N ATOM 1242 CA TYR A 79 -2.438 -0.782 8.696 1.00 0.00 C ATOM 1243 C TYR A 79 -2.631 0.303 7.640 1.00 0.00 C ATOM 1244 O TYR A 79 -1.687 0.685 6.947 1.00 0.00 O ATOM 1245 CB TYR A 79 -1.611 -0.236 9.860 1.00 0.00 C ATOM 1246 CG TYR A 79 -1.421 -1.228 10.986 1.00 0.00 C ATOM 1247 CD1 TYR A 79 -0.406 -2.175 10.939 1.00 0.00 C ATOM 1248 CD2 TYR A 79 -2.258 -1.219 12.095 1.00 0.00 C ATOM 1249 CE1 TYR A 79 -0.230 -3.084 11.964 1.00 0.00 C ATOM 1250 CE2 TYR A 79 -2.088 -2.122 13.125 1.00 0.00 C ATOM 1251 CZ TYR A 79 -1.072 -3.053 13.056 1.00 0.00 C ATOM 1252 OH TYR A 79 -0.900 -3.957 14.080 1.00 0.00 O ATOM 0 H TYR A 79 -0.928 -1.759 7.619 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.418 -1.082 9.066 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.633 0.070 9.488 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.097 0.657 10.252 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.257 -2.201 10.087 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.055 -0.493 12.152 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.563 -3.815 11.911 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.747 -2.100 13.980 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.575 -3.799 14.773 1.00 0.00 H new ATOM 1262 N PHE A 80 -3.859 0.797 7.526 1.00 0.00 N ATOM 1263 CA PHE A 80 -4.176 1.839 6.556 1.00 0.00 C ATOM 1264 C PHE A 80 -3.258 3.045 6.733 1.00 0.00 C ATOM 1265 O PHE A 80 -3.370 3.786 7.708 1.00 0.00 O ATOM 1266 CB PHE A 80 -5.637 2.271 6.700 1.00 0.00 C ATOM 1267 CG PHE A 80 -6.582 1.489 5.832 1.00 0.00 C ATOM 1268 CD1 PHE A 80 -7.145 0.308 6.289 1.00 0.00 C ATOM 1269 CD2 PHE A 80 -6.907 1.934 4.561 1.00 0.00 C ATOM 1270 CE1 PHE A 80 -8.014 -0.415 5.493 1.00 0.00 C ATOM 1271 CE2 PHE A 80 -7.775 1.217 3.761 1.00 0.00 C ATOM 1272 CZ PHE A 80 -8.331 0.041 4.227 1.00 0.00 C ATOM 0 H PHE A 80 -4.651 0.493 8.093 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.021 1.430 5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.939 2.162 7.742 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.721 3.329 6.453 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -6.902 -0.052 7.278 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.476 2.853 4.191 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.445 -1.335 5.860 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -8.019 1.575 2.772 1.00 0.00 H new ATOM 0 HZ PHE A 80 -9.011 -0.520 3.604 1.00 0.00 H new