USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 825 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 15 CYS SG : rot 49:sc= -0.672 USER MOD Single : A 16 CYS SG : rot 180:sc=-0.00916 USER MOD Single : A 19 LYS NZ :NH3+ -122:sc= 0.689 (180deg=-0.124) USER MOD Single : A 22 ASN : amide:sc= 0.246 K(o=0.25,f=-5.6!) USER MOD Single : A 24 TYR OH : rot -155:sc= -0.488! USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.186 F(o=-0.81,f=-0.19) USER MOD Single : A 29 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.026 (180deg=-0.208) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0715) USER MOD Single : A 37 GLN : amide:sc= -1.94 K(o=-1.9,f=-2.5) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -89:sc= 1.34 USER MOD Single : A 50 LYS NZ :NH3+ 149:sc= 1.29 (180deg=0.923) USER MOD Single : A 63 ASN : amide:sc= -0.741! C(o=-0.74!,f=-8.3!) USER MOD Single : A 66 ASN : amide:sc= 1.63 K(o=1.6,f=-0.68) USER MOD Single : A 69 LYS NZ :NH3+ -166:sc= -0.0483 (180deg=-0.279) USER MOD Single : A 71 THR OG1 : rot -170:sc= -0.0227 USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.365 F(o=-1.6!,f=-0.36) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= 0.909 K(o=0.91,f=-6!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc=-0.00901 X(o=-0.009,f=0) USER MOD Single : A 95 THR OG1 : rot -179:sc= -1.66! USER MOD Single : A 98 GLN : amide:sc= 0.429 X(o=0.43,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.71) USER MOD Single : A 101 LYS NZ :NH3+ -148:sc=-0.00118 (180deg=-0.0732) USER MOD Single : A 105 GLN : amide:sc= -0.141 K(o=-0.14,f=-3.3!) USER MOD Single : B 3 THR OG1 : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 11 -11.860 -5.636 -5.340 1.00 0.00 N ATOM 107 CA LEU A 11 -10.734 -5.434 -4.433 1.00 0.00 C ATOM 108 C LEU A 11 -10.360 -3.953 -4.383 1.00 0.00 C ATOM 109 O LEU A 11 -10.155 -3.321 -5.424 1.00 0.00 O ATOM 110 CB LEU A 11 -9.513 -6.267 -4.863 1.00 0.00 C ATOM 111 CG LEU A 11 -9.697 -7.793 -4.898 1.00 0.00 C ATOM 112 CD1 LEU A 11 -10.360 -8.291 -3.623 1.00 0.00 C ATOM 113 CD2 LEU A 11 -10.483 -8.230 -6.128 1.00 0.00 C ATOM 0 HA LEU A 11 -11.039 -5.765 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.209 -5.938 -5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.690 -6.039 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.706 -8.243 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.479 -9.373 -3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.739 -8.034 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.339 -7.823 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.595 -9.314 -6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.468 -7.763 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.949 -7.926 -7.028 1.00 0.00 H new ATOM 125 N PRO A 12 -10.274 -3.384 -3.168 1.00 0.00 N ATOM 126 CA PRO A 12 -10.008 -1.954 -2.975 1.00 0.00 C ATOM 127 C PRO A 12 -8.640 -1.549 -3.501 1.00 0.00 C ATOM 128 O PRO A 12 -7.663 -2.292 -3.375 1.00 0.00 O ATOM 129 CB PRO A 12 -10.081 -1.764 -1.457 1.00 0.00 C ATOM 130 CG PRO A 12 -9.849 -3.120 -0.888 1.00 0.00 C ATOM 131 CD PRO A 12 -10.414 -4.093 -1.885 1.00 0.00 C ATOM 0 HA PRO A 12 -10.720 -1.334 -3.520 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.327 -1.056 -1.111 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.051 -1.370 -1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.786 -3.299 -0.728 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.339 -3.225 0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.865 -5.034 -1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.455 -4.331 -1.669 1.00 0.00 H new ATOM 139 N ARG A 13 -8.577 -0.377 -4.103 1.00 0.00 N ATOM 140 CA ARG A 13 -7.343 0.095 -4.700 1.00 0.00 C ATOM 141 C ARG A 13 -6.605 1.048 -3.770 1.00 0.00 C ATOM 142 O ARG A 13 -7.173 2.021 -3.262 1.00 0.00 O ATOM 143 CB ARG A 13 -7.631 0.773 -6.043 1.00 0.00 C ATOM 144 CG ARG A 13 -8.725 1.827 -5.975 1.00 0.00 C ATOM 145 CD ARG A 13 -9.036 2.405 -7.347 1.00 0.00 C ATOM 146 NE ARG A 13 -9.494 1.380 -8.282 1.00 0.00 N ATOM 147 CZ ARG A 13 -10.032 1.641 -9.472 1.00 0.00 C ATOM 148 NH1 ARG A 13 -10.218 2.896 -9.862 1.00 0.00 N ATOM 149 NH2 ARG A 13 -10.397 0.646 -10.272 1.00 0.00 N ATOM 0 H ARG A 13 -9.365 0.265 -4.192 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.699 -0.768 -4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.715 1.236 -6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.916 0.012 -6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.628 1.387 -5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.417 2.629 -5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.801 3.176 -7.251 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.145 2.889 -7.747 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.395 0.403 -8.006 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.948 3.666 -9.249 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.630 3.091 -10.774 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.266 -0.321 -9.976 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.809 0.849 -11.183 1.00 0.00 H new ATOM 163 N LEU A 14 -5.331 0.754 -3.548 1.00 0.00 N ATOM 164 CA LEU A 14 -4.465 1.637 -2.791 1.00 0.00 C ATOM 165 C LEU A 14 -3.876 2.663 -3.740 1.00 0.00 C ATOM 166 O LEU A 14 -2.992 2.351 -4.537 1.00 0.00 O ATOM 167 CB LEU A 14 -3.352 0.847 -2.096 1.00 0.00 C ATOM 168 CG LEU A 14 -2.408 1.684 -1.228 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.173 2.338 -0.088 1.00 0.00 C ATOM 170 CD2 LEU A 14 -1.273 0.825 -0.690 1.00 0.00 C ATOM 0 H LEU A 14 -4.876 -0.094 -3.885 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.044 2.138 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.808 0.078 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.763 0.334 -2.856 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.977 2.470 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.487 2.929 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.948 2.987 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.633 1.567 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.613 1.437 -0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.684 0.016 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.708 0.405 -1.522 1.00 0.00 H new ATOM 182 N CYS A 15 -4.376 3.878 -3.660 1.00 0.00 N ATOM 183 CA CYS A 15 -4.042 4.902 -4.628 1.00 0.00 C ATOM 184 C CYS A 15 -2.939 5.805 -4.106 1.00 0.00 C ATOM 185 O CYS A 15 -3.144 6.576 -3.172 1.00 0.00 O ATOM 186 CB CYS A 15 -5.289 5.725 -4.955 1.00 0.00 C ATOM 187 SG CYS A 15 -6.710 4.730 -5.469 1.00 0.00 S ATOM 0 H CYS A 15 -5.020 4.182 -2.929 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.679 4.418 -5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.566 6.311 -4.078 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.048 6.433 -5.748 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.890 3.760 -4.622 1.00 0.00 H new ATOM 193 N CYS A 16 -1.765 5.695 -4.694 1.00 0.00 N ATOM 194 CA CYS A 16 -0.675 6.584 -4.354 1.00 0.00 C ATOM 195 C CYS A 16 -0.866 7.907 -5.081 1.00 0.00 C ATOM 196 O CYS A 16 -0.689 7.984 -6.296 1.00 0.00 O ATOM 197 CB CYS A 16 0.662 5.957 -4.747 1.00 0.00 C ATOM 198 SG CYS A 16 0.847 4.237 -4.220 1.00 0.00 S ATOM 0 H CYS A 16 -1.543 5.001 -5.407 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.671 6.756 -3.278 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.772 6.009 -5.830 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.470 6.548 -4.316 1.00 0.00 H new ATOM 0 HG CYS A 16 2.008 3.790 -4.598 1.00 0.00 H new ATOM 204 N LEU A 17 -1.249 8.937 -4.344 1.00 0.00 N ATOM 205 CA LEU A 17 -1.472 10.239 -4.942 1.00 0.00 C ATOM 206 C LEU A 17 -0.199 11.062 -4.913 1.00 0.00 C ATOM 207 O LEU A 17 0.572 11.020 -3.949 1.00 0.00 O ATOM 208 CB LEU A 17 -2.618 10.991 -4.255 1.00 0.00 C ATOM 209 CG LEU A 17 -4.022 10.687 -4.795 1.00 0.00 C ATOM 210 CD1 LEU A 17 -4.417 9.243 -4.540 1.00 0.00 C ATOM 211 CD2 LEU A 17 -5.036 11.625 -4.170 1.00 0.00 C ATOM 0 H LEU A 17 -1.411 8.896 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.762 10.079 -5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.598 10.756 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.435 12.061 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.006 10.842 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.417 9.064 -4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.707 8.579 -5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.411 9.048 -3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.029 11.400 -4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.034 11.495 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.776 12.655 -4.412 1.00 0.00 H new ATOM 223 N GLU A 18 0.011 11.793 -5.986 1.00 0.00 N ATOM 224 CA GLU A 18 1.203 12.592 -6.168 1.00 0.00 C ATOM 225 C GLU A 18 0.902 14.062 -5.899 1.00 0.00 C ATOM 226 O GLU A 18 -0.084 14.603 -6.398 1.00 0.00 O ATOM 227 CB GLU A 18 1.717 12.383 -7.596 1.00 0.00 C ATOM 228 CG GLU A 18 2.808 13.341 -8.029 1.00 0.00 C ATOM 229 CD GLU A 18 3.250 13.083 -9.453 1.00 0.00 C ATOM 230 OE1 GLU A 18 2.391 13.092 -10.363 1.00 0.00 O ATOM 231 OE2 GLU A 18 4.460 12.873 -9.677 1.00 0.00 O ATOM 0 H GLU A 18 -0.647 11.850 -6.764 1.00 0.00 H new ATOM 0 HA GLU A 18 1.973 12.283 -5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.092 11.364 -7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.878 12.476 -8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.448 14.366 -7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.663 13.244 -7.360 1.00 0.00 H new ATOM 238 N LYS A 19 1.732 14.689 -5.077 1.00 0.00 N ATOM 239 CA LYS A 19 1.604 16.108 -4.794 1.00 0.00 C ATOM 240 C LYS A 19 1.971 16.919 -6.026 1.00 0.00 C ATOM 241 O LYS A 19 3.138 16.982 -6.424 1.00 0.00 O ATOM 242 CB LYS A 19 2.491 16.509 -3.607 1.00 0.00 C ATOM 243 CG LYS A 19 2.526 18.011 -3.336 1.00 0.00 C ATOM 244 CD LYS A 19 1.149 18.569 -2.995 1.00 0.00 C ATOM 245 CE LYS A 19 0.655 18.075 -1.643 1.00 0.00 C ATOM 246 NZ LYS A 19 1.462 18.618 -0.516 1.00 0.00 N ATOM 0 H LYS A 19 2.505 14.232 -4.593 1.00 0.00 H new ATOM 0 HA LYS A 19 0.567 16.316 -4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.136 15.997 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.507 16.160 -3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.212 18.214 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.918 18.527 -4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.190 19.658 -2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.438 18.280 -3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.388 18.363 -1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.690 16.986 -1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.865 17.832 0.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.232 19.207 -0.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.854 19.195 0.100 1.00 0.00 H new ATOM 260 N GLY A 20 0.965 17.514 -6.634 1.00 0.00 N ATOM 261 CA GLY A 20 1.186 18.365 -7.775 1.00 0.00 C ATOM 262 C GLY A 20 1.452 19.794 -7.361 1.00 0.00 C ATOM 263 O GLY A 20 1.837 20.047 -6.217 1.00 0.00 O ATOM 0 H GLY A 20 -0.011 17.421 -6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.031 17.989 -8.351 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.314 18.331 -8.429 1.00 0.00 H new ATOM 267 N PRO A 21 1.224 20.759 -8.258 1.00 0.00 N ATOM 268 CA PRO A 21 1.508 22.169 -7.992 1.00 0.00 C ATOM 269 C PRO A 21 0.678 22.730 -6.839 1.00 0.00 C ATOM 270 O PRO A 21 1.153 23.566 -6.068 1.00 0.00 O ATOM 271 CB PRO A 21 1.138 22.872 -9.305 1.00 0.00 C ATOM 272 CG PRO A 21 0.235 21.925 -10.016 1.00 0.00 C ATOM 273 CD PRO A 21 0.677 20.550 -9.611 1.00 0.00 C ATOM 0 HA PRO A 21 2.546 22.316 -7.692 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.640 23.823 -9.115 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.026 23.090 -9.899 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.806 22.097 -9.741 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.305 22.055 -11.096 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.154 19.845 -9.605 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.429 20.151 -10.292 1.00 0.00 H new ATOM 281 N ASN A 22 -0.554 22.255 -6.710 1.00 0.00 N ATOM 282 CA ASN A 22 -1.483 22.809 -5.733 1.00 0.00 C ATOM 283 C ASN A 22 -2.249 21.721 -4.991 1.00 0.00 C ATOM 284 O ASN A 22 -3.413 21.906 -4.631 1.00 0.00 O ATOM 285 CB ASN A 22 -2.467 23.763 -6.422 1.00 0.00 C ATOM 286 CG ASN A 22 -3.157 23.144 -7.631 1.00 0.00 C ATOM 287 OD1 ASN A 22 -3.395 21.935 -7.691 1.00 0.00 O ATOM 288 ND2 ASN A 22 -3.477 23.974 -8.610 1.00 0.00 N ATOM 0 H ASN A 22 -0.933 21.490 -7.268 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.894 23.358 -4.998 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.223 24.077 -5.702 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.933 24.660 -6.736 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.936 23.620 -9.449 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.265 24.968 -8.526 1.00 0.00 H new ATOM 295 N GLY A 23 -1.599 20.595 -4.750 1.00 0.00 N ATOM 296 CA GLY A 23 -2.251 19.520 -4.032 1.00 0.00 C ATOM 297 C GLY A 23 -2.389 18.263 -4.859 1.00 0.00 C ATOM 298 O GLY A 23 -1.483 17.908 -5.612 1.00 0.00 O ATOM 0 H GLY A 23 -0.638 20.405 -5.036 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.683 19.295 -3.129 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.240 19.850 -3.713 1.00 0.00 H new ATOM 302 N TYR A 24 -3.523 17.595 -4.732 1.00 0.00 N ATOM 303 CA TYR A 24 -3.739 16.318 -5.394 1.00 0.00 C ATOM 304 C TYR A 24 -4.834 16.435 -6.440 1.00 0.00 C ATOM 305 O TYR A 24 -4.889 15.650 -7.385 1.00 0.00 O ATOM 306 CB TYR A 24 -4.082 15.250 -4.358 1.00 0.00 C ATOM 307 CG TYR A 24 -3.108 15.249 -3.208 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.794 14.842 -3.396 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.488 15.688 -1.947 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.887 14.872 -2.360 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.586 15.713 -0.903 1.00 0.00 C ATOM 312 CZ TYR A 24 -1.286 15.308 -1.116 1.00 0.00 C ATOM 313 OH TYR A 24 -0.382 15.348 -0.084 1.00 0.00 O ATOM 0 H TYR A 24 -4.313 17.918 -4.173 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.822 16.024 -5.906 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.090 15.421 -3.980 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.083 14.269 -4.834 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.478 14.497 -4.369 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.504 16.015 -1.781 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.133 14.555 -2.522 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.897 16.048 0.075 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.858 15.284 0.770 1.00 0.00 H new ATOM 323 N GLY A 25 -5.713 17.407 -6.255 1.00 0.00 N ATOM 324 CA GLY A 25 -6.650 17.761 -7.297 1.00 0.00 C ATOM 325 C GLY A 25 -8.024 17.145 -7.136 1.00 0.00 C ATOM 326 O GLY A 25 -8.724 16.937 -8.127 1.00 0.00 O ATOM 0 H GLY A 25 -5.794 17.957 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.752 18.846 -7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.238 17.455 -8.259 1.00 0.00 H new ATOM 330 N PHE A 26 -8.439 16.857 -5.913 1.00 0.00 N ATOM 331 CA PHE A 26 -9.795 16.382 -5.698 1.00 0.00 C ATOM 332 C PHE A 26 -10.436 17.129 -4.547 1.00 0.00 C ATOM 333 O PHE A 26 -9.750 17.689 -3.699 1.00 0.00 O ATOM 334 CB PHE A 26 -9.833 14.868 -5.446 1.00 0.00 C ATOM 335 CG PHE A 26 -9.119 14.415 -4.202 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.737 14.368 -4.155 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.836 14.020 -3.086 1.00 0.00 C ATOM 338 CE1 PHE A 26 -7.085 13.937 -3.018 1.00 0.00 C ATOM 339 CE2 PHE A 26 -9.188 13.590 -1.944 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.810 13.546 -1.912 1.00 0.00 C ATOM 0 H PHE A 26 -7.870 16.941 -5.071 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.364 16.576 -6.607 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.874 14.550 -5.386 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.394 14.360 -6.305 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.162 14.672 -5.018 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.915 14.048 -3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.006 13.906 -2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.759 13.289 -1.078 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.300 13.206 -1.023 1.00 0.00 H new ATOM 350 N HIS A 27 -11.752 17.149 -4.532 1.00 0.00 N ATOM 351 CA HIS A 27 -12.481 17.832 -3.486 1.00 0.00 C ATOM 352 C HIS A 27 -13.007 16.812 -2.500 1.00 0.00 C ATOM 353 O HIS A 27 -13.715 15.877 -2.880 1.00 0.00 O ATOM 354 CB HIS A 27 -13.645 18.658 -4.056 1.00 0.00 C ATOM 355 CG HIS A 27 -13.220 19.829 -4.893 1.00 0.00 C ATOM 356 ND1 HIS A 27 -12.853 19.898 -6.194 1.00 0.00 N flip ATOM 357 CD2 HIS A 27 -13.177 21.123 -4.418 1.00 0.00 C flip ATOM 358 CE1 HIS A 27 -12.598 21.218 -6.481 1.00 0.00 C flip ATOM 359 NE2 HIS A 27 -12.801 21.932 -5.390 1.00 0.00 N flip ATOM 0 H HIS A 27 -12.339 16.699 -5.234 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.801 18.521 -2.985 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.277 18.006 -4.659 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.257 19.020 -3.230 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.414 21.426 -3.409 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.284 21.606 -7.439 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.686 22.942 -5.311 1.00 0.00 H new ATOM 368 N LEU A 28 -12.663 16.999 -1.242 1.00 0.00 N ATOM 369 CA LEU A 28 -13.080 16.089 -0.201 1.00 0.00 C ATOM 370 C LEU A 28 -14.311 16.670 0.462 1.00 0.00 C ATOM 371 O LEU A 28 -14.296 17.806 0.940 1.00 0.00 O ATOM 372 CB LEU A 28 -11.948 15.894 0.821 1.00 0.00 C ATOM 373 CG LEU A 28 -12.006 14.615 1.677 1.00 0.00 C ATOM 374 CD1 LEU A 28 -13.159 14.653 2.669 1.00 0.00 C ATOM 375 CD2 LEU A 28 -12.113 13.384 0.789 1.00 0.00 C ATOM 0 H LEU A 28 -12.092 17.779 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.314 15.111 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.999 15.902 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.943 16.753 1.492 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.079 14.561 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.166 13.733 3.254 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.037 15.506 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.101 14.747 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.153 12.489 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.019 13.448 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.244 13.332 0.133 1.00 0.00 H new ATOM 387 N HIS A 29 -15.372 15.891 0.467 1.00 0.00 N ATOM 388 CA HIS A 29 -16.650 16.328 0.985 1.00 0.00 C ATOM 389 C HIS A 29 -16.916 15.658 2.323 1.00 0.00 C ATOM 390 O HIS A 29 -16.649 14.469 2.492 1.00 0.00 O ATOM 391 CB HIS A 29 -17.749 15.993 -0.041 1.00 0.00 C ATOM 392 CG HIS A 29 -19.141 15.870 0.518 1.00 0.00 C ATOM 393 ND1 HIS A 29 -19.962 16.950 0.749 1.00 0.00 N ATOM 394 CD2 HIS A 29 -19.855 14.775 0.876 1.00 0.00 C ATOM 395 CE1 HIS A 29 -21.115 16.528 1.228 1.00 0.00 C ATOM 396 NE2 HIS A 29 -21.080 15.209 1.312 1.00 0.00 N ATOM 0 H HIS A 29 -15.372 14.935 0.111 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.644 17.406 1.146 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -17.752 16.766 -0.810 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.489 15.055 -0.532 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -19.520 13.749 0.827 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.949 17.155 1.506 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -21.838 14.614 1.646 1.00 0.00 H new ATOM 405 N GLY A 30 -17.431 16.426 3.267 1.00 0.00 N ATOM 406 CA GLY A 30 -17.631 15.911 4.601 1.00 0.00 C ATOM 407 C GLY A 30 -19.077 15.924 5.038 1.00 0.00 C ATOM 408 O GLY A 30 -19.906 16.646 4.476 1.00 0.00 O ATOM 0 H GLY A 30 -17.714 17.397 3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.254 14.889 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.042 16.501 5.303 1.00 0.00 H new ATOM 412 N GLU A 31 -19.379 15.106 6.033 1.00 0.00 N ATOM 413 CA GLU A 31 -20.696 15.089 6.641 1.00 0.00 C ATOM 414 C GLU A 31 -20.638 15.779 7.995 1.00 0.00 C ATOM 415 O GLU A 31 -19.598 15.772 8.661 1.00 0.00 O ATOM 416 CB GLU A 31 -21.207 13.655 6.800 1.00 0.00 C ATOM 417 CG GLU A 31 -21.463 12.950 5.478 1.00 0.00 C ATOM 418 CD GLU A 31 -22.167 11.621 5.652 1.00 0.00 C ATOM 419 OE1 GLU A 31 -23.409 11.615 5.784 1.00 0.00 O ATOM 420 OE2 GLU A 31 -21.487 10.577 5.657 1.00 0.00 O ATOM 0 H GLU A 31 -18.722 14.440 6.439 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.389 15.623 5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -20.480 13.081 7.374 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.130 13.669 7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -22.065 13.595 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.514 12.790 4.967 1.00 0.00 H new ATOM 427 N LYS A 32 -21.748 16.376 8.401 1.00 0.00 N ATOM 428 CA LYS A 32 -21.786 17.159 9.626 1.00 0.00 C ATOM 429 C LYS A 32 -22.033 16.275 10.841 1.00 0.00 C ATOM 430 O LYS A 32 -23.093 16.323 11.468 1.00 0.00 O ATOM 431 CB LYS A 32 -22.840 18.264 9.527 1.00 0.00 C ATOM 432 CG LYS A 32 -22.547 19.271 8.423 1.00 0.00 C ATOM 433 CD LYS A 32 -21.167 19.899 8.582 1.00 0.00 C ATOM 434 CE LYS A 32 -21.085 20.792 9.811 1.00 0.00 C ATOM 435 NZ LYS A 32 -21.975 21.976 9.699 1.00 0.00 N ATOM 0 H LYS A 32 -22.635 16.333 7.899 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.811 17.628 9.755 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -23.816 17.812 9.349 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.900 18.787 10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -22.612 18.777 7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.306 20.053 8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -20.417 19.112 8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -20.930 20.483 7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -21.357 20.217 10.696 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -20.056 21.124 9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -21.732 22.664 10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -21.852 22.416 8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -22.965 21.678 9.814 1.00 0.00 H new ATOM 449 N GLY A 33 -21.039 15.460 11.142 1.00 0.00 N ATOM 450 CA GLY A 33 -21.051 14.642 12.333 1.00 0.00 C ATOM 451 C GLY A 33 -19.639 14.407 12.819 1.00 0.00 C ATOM 452 O GLY A 33 -18.933 15.356 13.167 1.00 0.00 O ATOM 0 H GLY A 33 -20.204 15.349 10.567 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -21.635 15.131 13.113 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -21.535 13.688 12.123 1.00 0.00 H new ATOM 456 N LYS A 34 -19.211 13.158 12.812 1.00 0.00 N ATOM 457 CA LYS A 34 -17.826 12.827 13.092 1.00 0.00 C ATOM 458 C LYS A 34 -17.160 12.375 11.808 1.00 0.00 C ATOM 459 O LYS A 34 -16.256 13.032 11.295 1.00 0.00 O ATOM 460 CB LYS A 34 -17.716 11.714 14.139 1.00 0.00 C ATOM 461 CG LYS A 34 -18.270 12.082 15.501 1.00 0.00 C ATOM 462 CD LYS A 34 -17.967 10.993 16.518 1.00 0.00 C ATOM 463 CE LYS A 34 -18.520 11.333 17.891 1.00 0.00 C ATOM 464 NZ LYS A 34 -20.006 11.331 17.907 1.00 0.00 N ATOM 0 H LYS A 34 -19.805 12.353 12.615 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.333 13.714 13.489 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -18.242 10.833 13.772 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.668 11.437 14.249 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.837 13.026 15.832 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -19.347 12.232 15.432 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.394 10.049 16.178 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.889 10.849 16.586 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.148 10.613 18.620 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.155 12.314 18.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -20.343 11.416 18.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -20.360 12.134 17.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -20.356 10.442 17.496 1.00 0.00 H new ATOM 478 N LEU A 35 -17.660 11.273 11.274 1.00 0.00 N ATOM 479 CA LEU A 35 -17.086 10.667 10.091 1.00 0.00 C ATOM 480 C LEU A 35 -17.812 11.126 8.836 1.00 0.00 C ATOM 481 O LEU A 35 -19.035 11.261 8.824 1.00 0.00 O ATOM 482 CB LEU A 35 -17.109 9.137 10.185 1.00 0.00 C ATOM 483 CG LEU A 35 -18.462 8.493 10.488 1.00 0.00 C ATOM 484 CD1 LEU A 35 -18.556 7.143 9.795 1.00 0.00 C ATOM 485 CD2 LEU A 35 -18.650 8.319 11.989 1.00 0.00 C ATOM 0 H LEU A 35 -18.470 10.778 11.648 1.00 0.00 H new ATOM 0 HA LEU A 35 -16.047 10.991 10.029 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -16.742 8.732 9.242 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.405 8.832 10.959 1.00 0.00 H new ATOM 0 HG LEU A 35 -19.250 9.147 10.114 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -19.522 6.688 10.014 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -18.455 7.279 8.718 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -17.759 6.493 10.155 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.619 7.859 12.183 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.860 7.680 12.383 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -18.606 9.293 12.476 1.00 0.00 H new ATOM 497 N GLY A 36 -17.053 11.371 7.786 1.00 0.00 N ATOM 498 CA GLY A 36 -17.626 11.848 6.550 1.00 0.00 C ATOM 499 C GLY A 36 -16.568 12.169 5.522 1.00 0.00 C ATOM 500 O GLY A 36 -16.252 13.335 5.292 1.00 0.00 O ATOM 0 H GLY A 36 -16.041 11.247 7.767 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -18.303 11.094 6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -18.222 12.739 6.747 1.00 0.00 H new ATOM 504 N GLN A 37 -15.990 11.138 4.928 1.00 0.00 N ATOM 505 CA GLN A 37 -14.994 11.328 3.889 1.00 0.00 C ATOM 506 C GLN A 37 -15.513 10.768 2.574 1.00 0.00 C ATOM 507 O GLN A 37 -15.707 9.561 2.442 1.00 0.00 O ATOM 508 CB GLN A 37 -13.678 10.624 4.248 1.00 0.00 C ATOM 509 CG GLN A 37 -13.056 11.047 5.573 1.00 0.00 C ATOM 510 CD GLN A 37 -13.812 10.539 6.789 1.00 0.00 C ATOM 511 OE1 GLN A 37 -14.470 9.500 6.742 1.00 0.00 O ATOM 512 NE2 GLN A 37 -13.722 11.274 7.885 1.00 0.00 N ATOM 0 H GLN A 37 -16.193 10.163 5.148 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.804 12.397 3.794 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.855 9.549 4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.957 10.808 3.451 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.029 10.683 5.616 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.010 12.135 5.612 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.166 12.129 7.881 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.209 10.986 8.734 1.00 0.00 H new ATOM 521 N TYR A 38 -15.729 11.644 1.607 1.00 0.00 N ATOM 522 CA TYR A 38 -16.179 11.237 0.282 1.00 0.00 C ATOM 523 C TYR A 38 -15.559 12.133 -0.774 1.00 0.00 C ATOM 524 O TYR A 38 -15.410 13.338 -0.563 1.00 0.00 O ATOM 525 CB TYR A 38 -17.709 11.304 0.180 1.00 0.00 C ATOM 526 CG TYR A 38 -18.430 10.245 0.983 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.557 8.950 0.498 1.00 0.00 C ATOM 528 CD2 TYR A 38 -18.975 10.536 2.228 1.00 0.00 C ATOM 529 CE1 TYR A 38 -19.208 7.976 1.228 1.00 0.00 C ATOM 530 CE2 TYR A 38 -19.630 9.568 2.964 1.00 0.00 C ATOM 531 CZ TYR A 38 -19.740 8.288 2.461 1.00 0.00 C ATOM 532 OH TYR A 38 -20.383 7.316 3.194 1.00 0.00 O ATOM 0 H TYR A 38 -15.599 12.650 1.714 1.00 0.00 H new ATOM 0 HA TYR A 38 -15.864 10.207 0.116 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.042 12.287 0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -17.997 11.209 -0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -18.139 8.701 -0.466 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -18.885 11.536 2.627 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -19.300 6.974 0.835 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -20.053 9.812 3.927 1.00 0.00 H new ATOM 0 HH TYR A 38 -20.699 7.699 4.039 1.00 0.00 H new ATOM 542 N ILE A 39 -15.176 11.546 -1.896 1.00 0.00 N ATOM 543 CA ILE A 39 -14.681 12.326 -3.017 1.00 0.00 C ATOM 544 C ILE A 39 -15.859 12.969 -3.729 1.00 0.00 C ATOM 545 O ILE A 39 -16.717 12.272 -4.272 1.00 0.00 O ATOM 546 CB ILE A 39 -13.897 11.460 -4.024 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.905 10.544 -3.300 1.00 0.00 C ATOM 548 CG2 ILE A 39 -13.167 12.344 -5.027 1.00 0.00 C ATOM 549 CD1 ILE A 39 -11.884 11.284 -2.470 1.00 0.00 C ATOM 0 H ILE A 39 -15.198 10.539 -2.054 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.000 13.082 -2.625 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.609 10.834 -4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.459 9.863 -2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.385 9.932 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.618 11.719 -5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.890 12.953 -5.570 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.469 12.994 -4.499 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.218 10.568 -1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.303 11.945 -3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.393 11.874 -1.708 1.00 0.00 H new ATOM 561 N ARG A 40 -15.913 14.292 -3.709 1.00 0.00 N ATOM 562 CA ARG A 40 -17.041 15.007 -4.292 1.00 0.00 C ATOM 563 C ARG A 40 -16.806 15.246 -5.777 1.00 0.00 C ATOM 564 O ARG A 40 -17.731 15.171 -6.584 1.00 0.00 O ATOM 565 CB ARG A 40 -17.277 16.337 -3.565 1.00 0.00 C ATOM 566 CG ARG A 40 -18.460 17.130 -4.105 1.00 0.00 C ATOM 567 CD ARG A 40 -18.734 18.374 -3.270 1.00 0.00 C ATOM 568 NE ARG A 40 -19.747 19.233 -3.890 1.00 0.00 N ATOM 569 CZ ARG A 40 -20.216 20.364 -3.354 1.00 0.00 C ATOM 570 NH1 ARG A 40 -19.874 20.721 -2.119 1.00 0.00 N ATOM 571 NH2 ARG A 40 -21.073 21.113 -4.040 1.00 0.00 N ATOM 0 H ARG A 40 -15.195 14.890 -3.299 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.934 14.392 -4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.438 16.138 -2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.377 16.947 -3.641 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.262 17.421 -5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.347 16.497 -4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.068 18.078 -2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.809 18.937 -3.142 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.121 18.947 -4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.248 20.130 -1.572 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.237 21.586 -1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.370 20.824 -4.972 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.433 21.977 -3.635 1.00 0.00 H new ATOM 585 N LEU A 41 -15.557 15.513 -6.123 1.00 0.00 N ATOM 586 CA LEU A 41 -15.182 15.799 -7.498 1.00 0.00 C ATOM 587 C LEU A 41 -13.669 15.714 -7.638 1.00 0.00 C ATOM 588 O LEU A 41 -12.943 16.187 -6.763 1.00 0.00 O ATOM 589 CB LEU A 41 -15.661 17.201 -7.890 1.00 0.00 C ATOM 590 CG LEU A 41 -15.462 17.579 -9.358 1.00 0.00 C ATOM 591 CD1 LEU A 41 -16.373 16.754 -10.253 1.00 0.00 C ATOM 592 CD2 LEU A 41 -15.712 19.063 -9.556 1.00 0.00 C ATOM 0 H LEU A 41 -14.779 15.538 -5.463 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.649 15.068 -8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.722 17.283 -7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -15.139 17.931 -7.271 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.431 17.362 -9.636 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -16.216 17.039 -11.293 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -16.145 15.696 -10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.413 16.936 -9.980 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -15.567 19.320 -10.605 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.734 19.302 -9.262 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.015 19.634 -8.943 1.00 0.00 H new ATOM 604 N VAL A 42 -13.195 15.108 -8.715 1.00 0.00 N ATOM 605 CA VAL A 42 -11.765 15.035 -8.970 1.00 0.00 C ATOM 606 C VAL A 42 -11.433 15.685 -10.311 1.00 0.00 C ATOM 607 O VAL A 42 -12.136 15.489 -11.306 1.00 0.00 O ATOM 608 CB VAL A 42 -11.237 13.576 -8.918 1.00 0.00 C ATOM 609 CG1 VAL A 42 -11.882 12.699 -9.978 1.00 0.00 C ATOM 610 CG2 VAL A 42 -9.726 13.544 -9.054 1.00 0.00 C ATOM 0 H VAL A 42 -13.777 14.661 -9.424 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.260 15.585 -8.176 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.511 13.171 -7.944 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.483 11.687 -9.905 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.961 12.676 -9.824 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.665 13.104 -10.966 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.379 12.511 -9.015 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.437 13.988 -10.007 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.275 14.110 -8.238 1.00 0.00 H new ATOM 620 N GLU A 43 -10.378 16.483 -10.316 1.00 0.00 N ATOM 621 CA GLU A 43 -9.979 17.235 -11.485 1.00 0.00 C ATOM 622 C GLU A 43 -9.401 16.304 -12.547 1.00 0.00 C ATOM 623 O GLU A 43 -8.574 15.445 -12.246 1.00 0.00 O ATOM 624 CB GLU A 43 -8.950 18.283 -11.060 1.00 0.00 C ATOM 625 CG GLU A 43 -8.599 19.282 -12.141 1.00 0.00 C ATOM 626 CD GLU A 43 -7.897 20.501 -11.585 1.00 0.00 C ATOM 627 OE1 GLU A 43 -6.663 20.458 -11.406 1.00 0.00 O ATOM 628 OE2 GLU A 43 -8.587 21.506 -11.304 1.00 0.00 O ATOM 0 H GLU A 43 -9.775 16.625 -9.505 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.846 17.732 -11.921 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.334 18.822 -10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.040 17.774 -10.742 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.960 18.803 -12.882 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.508 19.592 -12.656 1.00 0.00 H new ATOM 635 N PRO A 44 -9.838 16.467 -13.808 1.00 0.00 N ATOM 636 CA PRO A 44 -9.404 15.617 -14.928 1.00 0.00 C ATOM 637 C PRO A 44 -7.906 15.714 -15.192 1.00 0.00 C ATOM 638 O PRO A 44 -7.322 14.852 -15.851 1.00 0.00 O ATOM 639 CB PRO A 44 -10.186 16.174 -16.123 1.00 0.00 C ATOM 640 CG PRO A 44 -10.556 17.559 -15.722 1.00 0.00 C ATOM 641 CD PRO A 44 -10.799 17.492 -14.246 1.00 0.00 C ATOM 0 HA PRO A 44 -9.591 14.562 -14.727 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.579 16.173 -17.028 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.071 15.573 -16.332 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.758 18.263 -15.958 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.446 17.897 -16.252 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.617 18.451 -13.761 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.826 17.209 -14.017 1.00 0.00 H new ATOM 649 N GLY A 45 -7.297 16.778 -14.693 1.00 0.00 N ATOM 650 CA GLY A 45 -5.869 16.958 -14.843 1.00 0.00 C ATOM 651 C GLY A 45 -5.137 16.885 -13.517 1.00 0.00 C ATOM 652 O GLY A 45 -4.229 17.676 -13.252 1.00 0.00 O ATOM 0 H GLY A 45 -7.770 17.525 -14.184 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.477 16.194 -15.514 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.674 17.923 -15.310 1.00 0.00 H new ATOM 656 N SER A 46 -5.527 15.930 -12.683 1.00 0.00 N ATOM 657 CA SER A 46 -4.925 15.768 -11.367 1.00 0.00 C ATOM 658 C SER A 46 -4.244 14.409 -11.258 1.00 0.00 C ATOM 659 O SER A 46 -4.567 13.485 -12.007 1.00 0.00 O ATOM 660 CB SER A 46 -6.002 15.890 -10.289 1.00 0.00 C ATOM 661 OG SER A 46 -6.911 14.806 -10.356 1.00 0.00 O ATOM 0 H SER A 46 -6.260 15.254 -12.896 1.00 0.00 H new ATOM 0 HA SER A 46 -4.177 16.549 -11.226 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.535 15.917 -9.305 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.541 16.829 -10.413 1.00 0.00 H new ATOM 0 HG SER A 46 -7.647 15.033 -10.962 1.00 0.00 H new ATOM 667 N PRO A 47 -3.271 14.271 -10.340 1.00 0.00 N ATOM 668 CA PRO A 47 -2.627 12.989 -10.058 1.00 0.00 C ATOM 669 C PRO A 47 -3.567 12.014 -9.353 1.00 0.00 C ATOM 670 O PRO A 47 -3.294 10.815 -9.283 1.00 0.00 O ATOM 671 CB PRO A 47 -1.454 13.352 -9.138 1.00 0.00 C ATOM 672 CG PRO A 47 -1.329 14.836 -9.207 1.00 0.00 C ATOM 673 CD PRO A 47 -2.695 15.358 -9.537 1.00 0.00 C ATOM 0 HA PRO A 47 -2.319 12.487 -10.975 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.642 13.022 -8.116 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.535 12.866 -9.466 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.977 15.241 -8.258 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.606 15.130 -9.968 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.282 15.553 -8.639 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.647 16.293 -10.096 1.00 0.00 H new ATOM 681 N ALA A 48 -4.671 12.538 -8.832 1.00 0.00 N ATOM 682 CA ALA A 48 -5.653 11.723 -8.130 1.00 0.00 C ATOM 683 C ALA A 48 -6.288 10.708 -9.070 1.00 0.00 C ATOM 684 O ALA A 48 -6.340 9.514 -8.767 1.00 0.00 O ATOM 685 CB ALA A 48 -6.725 12.603 -7.508 1.00 0.00 C ATOM 0 H ALA A 48 -4.908 13.529 -8.884 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.138 11.181 -7.337 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.451 11.979 -6.987 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.265 13.292 -6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.229 13.170 -8.290 1.00 0.00 H new ATOM 691 N GLU A 49 -6.749 11.185 -10.221 1.00 0.00 N ATOM 692 CA GLU A 49 -7.391 10.316 -11.197 1.00 0.00 C ATOM 693 C GLU A 49 -6.387 9.331 -11.801 1.00 0.00 C ATOM 694 O GLU A 49 -6.763 8.236 -12.217 1.00 0.00 O ATOM 695 CB GLU A 49 -8.121 11.135 -12.276 1.00 0.00 C ATOM 696 CG GLU A 49 -7.238 12.078 -13.083 1.00 0.00 C ATOM 697 CD GLU A 49 -6.656 11.428 -14.322 1.00 0.00 C ATOM 698 OE1 GLU A 49 -7.436 11.019 -15.206 1.00 0.00 O ATOM 699 OE2 GLU A 49 -5.421 11.334 -14.427 1.00 0.00 O ATOM 0 H GLU A 49 -6.690 12.165 -10.499 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.148 9.726 -10.680 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.611 10.445 -12.963 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.906 11.720 -11.796 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.821 12.951 -13.377 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.425 12.436 -12.451 1.00 0.00 H new ATOM 706 N LYS A 50 -5.111 9.725 -11.849 1.00 0.00 N ATOM 707 CA LYS A 50 -4.049 8.819 -12.288 1.00 0.00 C ATOM 708 C LYS A 50 -3.973 7.611 -11.362 1.00 0.00 C ATOM 709 O LYS A 50 -3.863 6.469 -11.809 1.00 0.00 O ATOM 710 CB LYS A 50 -2.679 9.509 -12.290 1.00 0.00 C ATOM 711 CG LYS A 50 -2.585 10.745 -13.168 1.00 0.00 C ATOM 712 CD LYS A 50 -1.131 11.151 -13.388 1.00 0.00 C ATOM 713 CE LYS A 50 -0.408 11.420 -12.075 1.00 0.00 C ATOM 714 NZ LYS A 50 1.056 11.601 -12.270 1.00 0.00 N ATOM 0 H LYS A 50 -4.791 10.659 -11.591 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.293 8.509 -13.304 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.428 9.788 -11.267 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.927 8.791 -12.618 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.061 10.550 -14.129 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.130 11.567 -12.704 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.613 10.361 -13.932 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.095 12.044 -14.011 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.824 12.313 -11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.582 10.591 -11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.423 12.258 -11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.535 10.683 -12.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.235 11.989 -13.218 1.00 0.00 H new ATOM 728 N ALA A 51 -4.043 7.881 -10.063 1.00 0.00 N ATOM 729 CA ALA A 51 -3.915 6.849 -9.043 1.00 0.00 C ATOM 730 C ALA A 51 -5.091 5.879 -9.071 1.00 0.00 C ATOM 731 O ALA A 51 -4.986 4.748 -8.598 1.00 0.00 O ATOM 732 CB ALA A 51 -3.794 7.492 -7.670 1.00 0.00 C ATOM 0 H ALA A 51 -4.190 8.819 -9.689 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.013 6.276 -9.256 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.699 6.715 -6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.913 8.134 -7.645 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.683 8.089 -7.468 1.00 0.00 H new ATOM 738 N GLY A 52 -6.204 6.322 -9.633 1.00 0.00 N ATOM 739 CA GLY A 52 -7.383 5.484 -9.688 1.00 0.00 C ATOM 740 C GLY A 52 -8.469 5.977 -8.761 1.00 0.00 C ATOM 741 O GLY A 52 -9.530 5.364 -8.652 1.00 0.00 O ATOM 0 H GLY A 52 -6.313 7.246 -10.052 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.762 5.458 -10.710 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.114 4.462 -9.421 1.00 0.00 H new ATOM 745 N LEU A 53 -8.194 7.084 -8.088 1.00 0.00 N ATOM 746 CA LEU A 53 -9.158 7.701 -7.193 1.00 0.00 C ATOM 747 C LEU A 53 -10.259 8.369 -8.006 1.00 0.00 C ATOM 748 O LEU A 53 -9.991 9.230 -8.845 1.00 0.00 O ATOM 749 CB LEU A 53 -8.447 8.710 -6.281 1.00 0.00 C ATOM 750 CG LEU A 53 -9.319 9.383 -5.217 1.00 0.00 C ATOM 751 CD1 LEU A 53 -8.499 9.640 -3.965 1.00 0.00 C ATOM 752 CD2 LEU A 53 -9.895 10.692 -5.736 1.00 0.00 C ATOM 0 H LEU A 53 -7.303 7.576 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.616 6.939 -6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.625 8.200 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.006 9.487 -6.906 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.146 8.715 -4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.125 10.119 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.123 8.694 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.660 10.292 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.510 11.151 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.082 11.368 -6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.506 10.497 -6.617 1.00 0.00 H new ATOM 764 N LEU A 54 -11.492 7.963 -7.759 1.00 0.00 N ATOM 765 CA LEU A 54 -12.621 8.440 -8.539 1.00 0.00 C ATOM 766 C LEU A 54 -13.591 9.228 -7.668 1.00 0.00 C ATOM 767 O LEU A 54 -13.574 9.127 -6.439 1.00 0.00 O ATOM 768 CB LEU A 54 -13.341 7.257 -9.191 1.00 0.00 C ATOM 769 CG LEU A 54 -12.501 6.457 -10.191 1.00 0.00 C ATOM 770 CD1 LEU A 54 -13.287 5.264 -10.714 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.055 7.345 -11.343 1.00 0.00 C ATOM 0 H LEU A 54 -11.738 7.302 -7.022 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.245 9.105 -9.317 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.683 6.583 -8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.229 7.629 -9.702 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.614 6.087 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.674 4.707 -11.423 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.559 4.615 -9.882 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.191 5.614 -11.212 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.459 6.760 -12.044 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.931 7.743 -11.855 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.455 8.169 -10.956 1.00 0.00 H new ATOM 783 N ALA A 55 -14.428 10.025 -8.317 1.00 0.00 N ATOM 784 CA ALA A 55 -15.409 10.831 -7.614 1.00 0.00 C ATOM 785 C ALA A 55 -16.592 9.973 -7.190 1.00 0.00 C ATOM 786 O ALA A 55 -17.455 9.635 -8.001 1.00 0.00 O ATOM 787 CB ALA A 55 -15.867 11.993 -8.483 1.00 0.00 C ATOM 0 H ALA A 55 -14.445 10.129 -9.332 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.944 11.241 -6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.602 12.586 -7.939 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.011 12.619 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.317 11.608 -9.398 1.00 0.00 H new ATOM 793 N GLY A 56 -16.612 9.610 -5.920 1.00 0.00 N ATOM 794 CA GLY A 56 -17.659 8.756 -5.407 1.00 0.00 C ATOM 795 C GLY A 56 -17.136 7.794 -4.364 1.00 0.00 C ATOM 796 O GLY A 56 -17.907 7.226 -3.588 1.00 0.00 O ATOM 0 H GLY A 56 -15.916 9.894 -5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.449 9.369 -4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.106 8.195 -6.228 1.00 0.00 H new ATOM 800 N ASP A 57 -15.820 7.621 -4.342 1.00 0.00 N ATOM 801 CA ASP A 57 -15.178 6.721 -3.395 1.00 0.00 C ATOM 802 C ASP A 57 -15.112 7.349 -2.009 1.00 0.00 C ATOM 803 O ASP A 57 -15.076 8.576 -1.870 1.00 0.00 O ATOM 804 CB ASP A 57 -13.759 6.369 -3.857 1.00 0.00 C ATOM 805 CG ASP A 57 -13.731 5.389 -5.015 1.00 0.00 C ATOM 806 OD1 ASP A 57 -13.789 5.833 -6.184 1.00 0.00 O ATOM 807 OD2 ASP A 57 -13.638 4.172 -4.762 1.00 0.00 O ATOM 0 H ASP A 57 -15.175 8.096 -4.973 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.777 5.812 -3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.243 7.283 -4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.206 5.946 -3.019 1.00 0.00 H new ATOM 812 N ARG A 58 -15.108 6.506 -0.988 1.00 0.00 N ATOM 813 CA ARG A 58 -14.921 6.965 0.379 1.00 0.00 C ATOM 814 C ARG A 58 -13.523 6.583 0.845 1.00 0.00 C ATOM 815 O ARG A 58 -12.995 5.540 0.457 1.00 0.00 O ATOM 816 CB ARG A 58 -15.985 6.375 1.321 1.00 0.00 C ATOM 817 CG ARG A 58 -15.876 4.872 1.528 1.00 0.00 C ATOM 818 CD ARG A 58 -16.912 4.362 2.520 1.00 0.00 C ATOM 819 NE ARG A 58 -16.748 4.955 3.849 1.00 0.00 N ATOM 820 CZ ARG A 58 -16.229 4.313 4.899 1.00 0.00 C ATOM 821 NH1 ARG A 58 -15.847 3.046 4.792 1.00 0.00 N ATOM 822 NH2 ARG A 58 -16.109 4.933 6.065 1.00 0.00 N ATOM 0 H ARG A 58 -15.232 5.498 -1.081 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.033 8.049 0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.910 6.869 2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -16.973 6.604 0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.006 4.363 0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.877 4.626 1.887 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.911 4.585 2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.835 3.277 2.597 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.050 5.920 3.981 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.949 2.556 3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.452 2.563 5.599 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.413 5.902 6.161 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.712 4.441 6.866 1.00 0.00 H new ATOM 836 N LEU A 59 -12.925 7.435 1.659 1.00 0.00 N ATOM 837 CA LEU A 59 -11.567 7.213 2.127 1.00 0.00 C ATOM 838 C LEU A 59 -11.582 6.439 3.438 1.00 0.00 C ATOM 839 O LEU A 59 -12.270 6.820 4.383 1.00 0.00 O ATOM 840 CB LEU A 59 -10.850 8.550 2.313 1.00 0.00 C ATOM 841 CG LEU A 59 -9.369 8.446 2.667 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.590 7.784 1.543 1.00 0.00 C ATOM 843 CD2 LEU A 59 -8.806 9.820 2.963 1.00 0.00 C ATOM 0 H LEU A 59 -13.359 8.289 2.010 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.031 6.627 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -10.948 9.128 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.357 9.110 3.098 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.271 7.826 3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.537 7.721 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.981 6.781 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.692 8.374 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.749 9.734 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.920 10.457 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.344 10.260 3.803 1.00 0.00 H new ATOM 855 N VAL A 60 -10.832 5.347 3.485 1.00 0.00 N ATOM 856 CA VAL A 60 -10.792 4.509 4.676 1.00 0.00 C ATOM 857 C VAL A 60 -9.495 4.693 5.463 1.00 0.00 C ATOM 858 O VAL A 60 -9.521 4.809 6.689 1.00 0.00 O ATOM 859 CB VAL A 60 -10.992 3.013 4.335 1.00 0.00 C ATOM 860 CG1 VAL A 60 -12.448 2.736 4.003 1.00 0.00 C ATOM 861 CG2 VAL A 60 -10.106 2.590 3.174 1.00 0.00 C ATOM 0 H VAL A 60 -10.246 5.021 2.717 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.622 4.834 5.303 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.708 2.431 5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.572 1.680 3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -13.071 2.991 4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.747 3.338 3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.269 1.534 2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.353 3.183 2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.060 2.749 3.437 1.00 0.00 H new ATOM 871 N GLU A 61 -8.367 4.749 4.765 1.00 0.00 N ATOM 872 CA GLU A 61 -7.077 4.848 5.433 1.00 0.00 C ATOM 873 C GLU A 61 -6.210 5.915 4.765 1.00 0.00 C ATOM 874 O GLU A 61 -6.346 6.170 3.565 1.00 0.00 O ATOM 875 CB GLU A 61 -6.318 3.514 5.365 1.00 0.00 C ATOM 876 CG GLU A 61 -7.170 2.255 5.506 1.00 0.00 C ATOM 877 CD GLU A 61 -7.484 1.881 6.942 1.00 0.00 C ATOM 878 OE1 GLU A 61 -6.540 1.732 7.744 1.00 0.00 O ATOM 879 OE2 GLU A 61 -8.679 1.711 7.265 1.00 0.00 O ATOM 0 H GLU A 61 -8.320 4.728 3.746 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.271 5.112 6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.789 3.467 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.562 3.508 6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.106 2.399 4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.652 1.423 5.029 1.00 0.00 H new ATOM 886 N VAL A 62 -5.314 6.518 5.538 1.00 0.00 N ATOM 887 CA VAL A 62 -4.318 7.438 4.995 1.00 0.00 C ATOM 888 C VAL A 62 -2.919 6.947 5.348 1.00 0.00 C ATOM 889 O VAL A 62 -2.544 6.932 6.520 1.00 0.00 O ATOM 890 CB VAL A 62 -4.497 8.880 5.530 1.00 0.00 C ATOM 891 CG1 VAL A 62 -3.372 9.787 5.047 1.00 0.00 C ATOM 892 CG2 VAL A 62 -5.845 9.444 5.112 1.00 0.00 C ATOM 0 H VAL A 62 -5.256 6.386 6.548 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.455 7.462 3.914 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.459 8.839 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.523 10.793 5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.416 9.400 5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.371 9.817 3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.951 10.458 5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.911 9.461 4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.642 8.818 5.514 1.00 0.00 H new ATOM 902 N ASN A 63 -2.171 6.515 4.330 1.00 0.00 N ATOM 903 CA ASN A 63 -0.780 6.043 4.488 1.00 0.00 C ATOM 904 C ASN A 63 -0.678 4.726 5.262 1.00 0.00 C ATOM 905 O ASN A 63 0.277 3.974 5.078 1.00 0.00 O ATOM 906 CB ASN A 63 0.099 7.115 5.144 1.00 0.00 C ATOM 907 CG ASN A 63 0.562 8.164 4.150 1.00 0.00 C ATOM 908 OD1 ASN A 63 -0.090 8.404 3.140 1.00 0.00 O ATOM 909 ND2 ASN A 63 1.689 8.799 4.435 1.00 0.00 N ATOM 0 H ASN A 63 -2.507 6.480 3.368 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.412 5.850 3.480 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.458 7.598 5.946 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.968 6.641 5.600 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.044 9.517 3.803 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.202 8.570 5.286 1.00 0.00 H new ATOM 916 N GLY A 64 -1.654 4.443 6.110 1.00 0.00 N ATOM 917 CA GLY A 64 -1.630 3.223 6.894 1.00 0.00 C ATOM 918 C GLY A 64 -2.528 3.302 8.111 1.00 0.00 C ATOM 919 O GLY A 64 -2.875 2.281 8.703 1.00 0.00 O ATOM 0 H GLY A 64 -2.467 5.038 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.942 2.386 6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.608 3.019 7.213 1.00 0.00 H new ATOM 923 N GLU A 65 -2.900 4.516 8.491 1.00 0.00 N ATOM 924 CA GLU A 65 -3.778 4.722 9.630 1.00 0.00 C ATOM 925 C GLU A 65 -5.227 4.846 9.176 1.00 0.00 C ATOM 926 O GLU A 65 -5.516 5.416 8.121 1.00 0.00 O ATOM 927 CB GLU A 65 -3.355 5.969 10.408 1.00 0.00 C ATOM 928 CG GLU A 65 -3.330 7.233 9.569 1.00 0.00 C ATOM 929 CD GLU A 65 -2.872 8.437 10.355 1.00 0.00 C ATOM 930 OE1 GLU A 65 -1.651 8.598 10.546 1.00 0.00 O ATOM 931 OE2 GLU A 65 -3.729 9.227 10.787 1.00 0.00 O ATOM 0 H GLU A 65 -2.606 5.374 8.025 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.698 3.856 10.287 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.038 6.113 11.245 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.364 5.804 10.830 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.668 7.086 8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.327 7.421 9.170 1.00 0.00 H new ATOM 938 N ASN A 66 -6.130 4.305 9.977 1.00 0.00 N ATOM 939 CA ASN A 66 -7.549 4.327 9.658 1.00 0.00 C ATOM 940 C ASN A 66 -8.145 5.690 9.976 1.00 0.00 C ATOM 941 O ASN A 66 -8.053 6.174 11.108 1.00 0.00 O ATOM 942 CB ASN A 66 -8.291 3.237 10.433 1.00 0.00 C ATOM 943 CG ASN A 66 -9.792 3.287 10.217 1.00 0.00 C ATOM 944 OD1 ASN A 66 -10.522 3.900 10.992 1.00 0.00 O ATOM 945 ND2 ASN A 66 -10.259 2.667 9.150 1.00 0.00 N ATOM 0 H ASN A 66 -5.904 3.843 10.858 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.662 4.135 8.591 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.916 2.260 10.128 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.077 3.343 11.497 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.258 2.686 8.945 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.621 2.168 8.530 1.00 0.00 H new ATOM 952 N VAL A 67 -8.763 6.304 8.981 1.00 0.00 N ATOM 953 CA VAL A 67 -9.284 7.650 9.135 1.00 0.00 C ATOM 954 C VAL A 67 -10.794 7.700 8.937 1.00 0.00 C ATOM 955 O VAL A 67 -11.368 8.779 8.792 1.00 0.00 O ATOM 956 CB VAL A 67 -8.606 8.630 8.157 1.00 0.00 C ATOM 957 CG1 VAL A 67 -7.115 8.714 8.441 1.00 0.00 C ATOM 958 CG2 VAL A 67 -8.859 8.217 6.712 1.00 0.00 C ATOM 0 H VAL A 67 -8.916 5.892 8.060 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.058 7.954 10.157 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.041 9.618 8.304 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.650 9.410 7.742 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.958 9.065 9.461 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.666 7.728 8.323 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.371 8.924 6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.456 7.218 6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.931 8.213 6.517 1.00 0.00 H new ATOM 968 N GLU A 68 -11.435 6.535 8.954 1.00 0.00 N ATOM 969 CA GLU A 68 -12.879 6.453 8.749 1.00 0.00 C ATOM 970 C GLU A 68 -13.643 7.237 9.803 1.00 0.00 C ATOM 971 O GLU A 68 -14.624 7.895 9.494 1.00 0.00 O ATOM 972 CB GLU A 68 -13.364 5.008 8.792 1.00 0.00 C ATOM 973 CG GLU A 68 -12.923 4.160 7.619 1.00 0.00 C ATOM 974 CD GLU A 68 -13.472 2.757 7.712 1.00 0.00 C ATOM 975 OE1 GLU A 68 -12.929 1.960 8.507 1.00 0.00 O ATOM 976 OE2 GLU A 68 -14.455 2.447 7.010 1.00 0.00 O ATOM 0 H GLU A 68 -10.979 5.636 9.107 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.070 6.882 7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.006 4.546 9.712 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.453 5.005 8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.257 4.621 6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.834 4.124 7.584 1.00 0.00 H new ATOM 983 N LYS A 69 -13.192 7.162 11.045 1.00 0.00 N ATOM 984 CA LYS A 69 -13.948 7.725 12.157 1.00 0.00 C ATOM 985 C LYS A 69 -13.406 9.088 12.560 1.00 0.00 C ATOM 986 O LYS A 69 -13.794 9.643 13.591 1.00 0.00 O ATOM 987 CB LYS A 69 -13.910 6.777 13.358 1.00 0.00 C ATOM 988 CG LYS A 69 -14.409 5.373 13.047 1.00 0.00 C ATOM 989 CD LYS A 69 -15.910 5.343 12.807 1.00 0.00 C ATOM 990 CE LYS A 69 -16.691 5.702 14.064 1.00 0.00 C ATOM 991 NZ LYS A 69 -16.409 4.768 15.187 1.00 0.00 N ATOM 0 H LYS A 69 -12.312 6.720 11.310 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.980 7.851 11.828 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.887 6.715 13.728 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.515 7.198 14.161 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.893 4.992 12.166 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.161 4.708 13.874 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.165 6.041 12.009 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.204 4.350 12.468 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -16.440 6.718 14.367 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -17.758 5.689 13.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -17.122 4.897 15.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.443 3.788 14.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.464 4.965 15.574 1.00 0.00 H new ATOM 1005 N GLU A 70 -12.501 9.618 11.755 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.928 10.923 12.019 1.00 0.00 C ATOM 1007 C GLU A 70 -12.812 12.004 11.423 1.00 0.00 C ATOM 1008 O GLU A 70 -13.720 11.713 10.642 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.519 11.013 11.432 1.00 0.00 C ATOM 1010 CG GLU A 70 -9.643 9.826 11.784 1.00 0.00 C ATOM 1011 CD GLU A 70 -9.573 9.566 13.276 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -8.900 10.335 13.992 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -10.182 8.583 13.737 1.00 0.00 O ATOM 0 H GLU A 70 -12.148 9.163 10.913 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.865 11.069 13.097 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.590 11.094 10.347 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.042 11.926 11.789 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.026 8.937 11.283 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.636 9.998 11.403 1.00 0.00 H new ATOM 1020 N THR A 71 -12.540 13.247 11.779 1.00 0.00 N ATOM 1021 CA THR A 71 -13.341 14.353 11.302 1.00 0.00 C ATOM 1022 C THR A 71 -12.919 14.757 9.898 1.00 0.00 C ATOM 1023 O THR A 71 -11.857 14.342 9.422 1.00 0.00 O ATOM 1024 CB THR A 71 -13.233 15.575 12.230 1.00 0.00 C ATOM 1025 OG1 THR A 71 -11.901 16.096 12.199 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.596 15.199 13.658 1.00 0.00 C ATOM 0 H THR A 71 -11.772 13.512 12.395 1.00 0.00 H new ATOM 0 HA THR A 71 -14.377 14.014 11.291 1.00 0.00 H new ATOM 0 HB THR A 71 -13.931 16.335 11.878 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.796 16.769 12.904 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.513 16.078 14.298 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.619 14.824 13.687 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.916 14.425 14.014 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.734 15.567 9.248 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.432 16.044 7.908 1.00 0.00 C ATOM 1036 C HIS A 72 -12.099 16.791 7.900 1.00 0.00 C ATOM 1037 O HIS A 72 -11.242 16.548 7.049 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.577 16.945 7.420 1.00 0.00 C ATOM 1039 CG HIS A 72 -14.299 17.677 6.142 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -13.916 18.956 5.929 1.00 0.00 N flip ATOM 1041 CD2 HIS A 72 -14.418 17.103 4.897 1.00 0.00 C flip ATOM 1042 CE1 HIS A 72 -13.812 19.134 4.574 1.00 0.00 C flip ATOM 1043 NE2 HIS A 72 -14.119 17.999 3.974 1.00 0.00 N flip ATOM 0 H HIS A 72 -14.616 15.911 9.628 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.341 15.196 7.229 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.470 16.334 7.286 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.804 17.674 8.198 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -14.710 16.081 4.705 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.526 20.051 4.079 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -14.124 17.841 2.966 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.925 17.677 8.870 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.717 18.475 8.976 1.00 0.00 C ATOM 1054 C GLN A 73 -9.494 17.617 9.312 1.00 0.00 C ATOM 1055 O GLN A 73 -8.398 17.875 8.810 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.915 19.576 10.016 1.00 0.00 C ATOM 1057 CG GLN A 73 -11.204 19.067 11.418 1.00 0.00 C ATOM 1058 CD GLN A 73 -11.460 20.190 12.401 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -12.597 20.623 12.584 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -10.407 20.669 13.042 1.00 0.00 N ATOM 0 H GLN A 73 -12.613 17.861 9.600 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.526 18.932 8.005 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.020 20.197 10.045 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.738 20.216 9.698 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.072 18.408 11.390 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.361 18.470 11.765 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.481 20.282 12.862 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.521 21.425 13.717 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.688 16.597 10.151 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.601 15.704 10.550 1.00 0.00 C ATOM 1071 C GLN A 74 -8.018 14.976 9.348 1.00 0.00 C ATOM 1072 O GLN A 74 -6.803 14.945 9.152 1.00 0.00 O ATOM 1073 CB GLN A 74 -9.103 14.668 11.557 1.00 0.00 C ATOM 1074 CG GLN A 74 -9.107 15.146 13.000 1.00 0.00 C ATOM 1075 CD GLN A 74 -7.709 15.288 13.560 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -6.789 14.582 13.148 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -7.542 16.189 14.511 1.00 0.00 N ATOM 0 H GLN A 74 -10.591 16.370 10.568 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.825 16.319 11.006 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.116 14.373 11.282 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.480 13.777 11.484 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.620 16.106 13.061 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.672 14.443 13.612 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.332 16.754 14.823 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.623 16.320 14.933 1.00 0.00 H new ATOM 1086 N VAL A 75 -8.900 14.411 8.541 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.497 13.611 7.395 1.00 0.00 C ATOM 1088 C VAL A 75 -7.756 14.456 6.363 1.00 0.00 C ATOM 1089 O VAL A 75 -6.673 14.085 5.910 1.00 0.00 O ATOM 1090 CB VAL A 75 -9.723 12.942 6.741 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -9.316 12.113 5.536 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -10.452 12.081 7.759 1.00 0.00 C ATOM 0 H VAL A 75 -9.910 14.493 8.660 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.820 12.837 7.756 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.396 13.726 6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.201 11.653 5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.835 12.755 4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.620 11.335 5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.316 11.613 7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.779 11.309 8.131 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.785 12.703 8.590 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.330 15.605 6.019 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.736 16.489 5.021 1.00 0.00 C ATOM 1104 C VAL A 76 -6.336 16.934 5.443 1.00 0.00 C ATOM 1105 O VAL A 76 -5.415 16.992 4.624 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.621 17.733 4.772 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -7.962 18.686 3.786 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.996 17.319 4.267 1.00 0.00 C ATOM 0 H VAL A 76 -9.205 15.946 6.416 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.663 15.921 4.094 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.739 18.255 5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.606 19.551 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.002 19.015 4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.804 18.175 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.604 18.208 4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.890 16.768 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.480 16.684 5.009 1.00 0.00 H new ATOM 1118 N SER A 77 -6.182 17.226 6.728 1.00 0.00 N ATOM 1119 CA SER A 77 -4.913 17.695 7.265 1.00 0.00 C ATOM 1120 C SER A 77 -3.818 16.637 7.092 1.00 0.00 C ATOM 1121 O SER A 77 -2.694 16.955 6.699 1.00 0.00 O ATOM 1122 CB SER A 77 -5.076 18.062 8.744 1.00 0.00 C ATOM 1123 OG SER A 77 -3.920 18.707 9.248 1.00 0.00 O ATOM 0 H SER A 77 -6.926 17.145 7.421 1.00 0.00 H new ATOM 0 HA SER A 77 -4.610 18.583 6.710 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.940 18.715 8.865 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.273 17.161 9.324 1.00 0.00 H new ATOM 0 HG SER A 77 -4.055 18.930 10.193 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.167 15.380 7.358 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.211 14.279 7.280 1.00 0.00 C ATOM 1131 C ARG A 78 -2.785 14.014 5.840 1.00 0.00 C ATOM 1132 O ARG A 78 -1.628 13.700 5.580 1.00 0.00 O ATOM 1133 CB ARG A 78 -3.806 13.014 7.901 1.00 0.00 C ATOM 1134 CG ARG A 78 -4.237 13.210 9.341 1.00 0.00 C ATOM 1135 CD ARG A 78 -4.892 11.966 9.915 1.00 0.00 C ATOM 1136 NE ARG A 78 -5.669 12.286 11.112 1.00 0.00 N ATOM 1137 CZ ARG A 78 -6.230 11.388 11.922 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -5.989 10.093 11.770 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -6.987 11.806 12.927 1.00 0.00 N ATOM 0 H ARG A 78 -5.109 15.099 7.630 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.323 14.566 7.843 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.665 12.695 7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.070 12.211 7.853 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.370 13.475 9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.934 14.046 9.400 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.542 11.514 9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.128 11.229 10.160 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.791 13.272 11.345 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.368 9.774 11.027 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.425 9.416 12.397 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.135 12.805 13.073 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.422 11.129 13.554 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.721 14.143 4.909 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.425 13.904 3.501 1.00 0.00 C ATOM 1155 C ILE A 79 -2.519 15.001 2.946 1.00 0.00 C ATOM 1156 O ILE A 79 -1.564 14.724 2.220 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.711 13.835 2.655 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.671 12.795 3.235 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.375 13.498 1.208 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.016 12.760 2.545 1.00 0.00 C ATOM 0 H ILE A 79 -4.687 14.410 5.101 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.915 12.943 3.440 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.198 14.810 2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.211 11.809 3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.821 13.003 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.293 13.453 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.721 14.267 0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.870 12.533 1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.644 11.999 3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.498 13.734 2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.878 12.522 1.490 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.822 16.246 3.300 1.00 0.00 N ATOM 1173 CA ARG A 80 -2.027 17.390 2.856 1.00 0.00 C ATOM 1174 C ARG A 80 -0.620 17.350 3.447 1.00 0.00 C ATOM 1175 O ARG A 80 0.310 17.942 2.895 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.712 18.709 3.215 1.00 0.00 C ATOM 1177 CG ARG A 80 -3.873 19.057 2.300 1.00 0.00 C ATOM 1178 CD ARG A 80 -4.472 20.410 2.651 1.00 0.00 C ATOM 1179 NE ARG A 80 -5.476 20.840 1.678 1.00 0.00 N ATOM 1180 CZ ARG A 80 -6.317 21.856 1.878 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -6.289 22.532 3.019 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -7.187 22.193 0.937 1.00 0.00 N ATOM 0 H ARG A 80 -3.614 16.491 3.894 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.945 17.327 1.771 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.073 18.654 4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.977 19.513 3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.532 19.066 1.265 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.641 18.287 2.376 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.926 20.358 3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.677 21.154 2.704 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.537 20.333 0.795 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.623 22.276 3.747 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.934 23.308 3.168 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.214 21.675 0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.830 22.970 1.091 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.483 16.657 4.576 1.00 0.00 N ATOM 1197 CA ALA A 81 0.794 16.533 5.274 1.00 0.00 C ATOM 1198 C ALA A 81 1.861 15.880 4.399 1.00 0.00 C ATOM 1199 O ALA A 81 3.059 16.072 4.621 1.00 0.00 O ATOM 1200 CB ALA A 81 0.609 15.734 6.554 1.00 0.00 C ATOM 0 H ALA A 81 -1.253 16.167 5.031 1.00 0.00 H new ATOM 0 HA ALA A 81 1.138 17.539 5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.565 15.646 7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.106 16.243 7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.234 14.740 6.311 1.00 0.00 H new ATOM 1206 N ALA A 82 1.423 15.110 3.413 1.00 0.00 N ATOM 1207 CA ALA A 82 2.334 14.432 2.505 1.00 0.00 C ATOM 1208 C ALA A 82 3.111 15.429 1.657 1.00 0.00 C ATOM 1209 O ALA A 82 2.557 16.409 1.148 1.00 0.00 O ATOM 1210 CB ALA A 82 1.571 13.469 1.622 1.00 0.00 C ATOM 0 H ALA A 82 0.436 14.939 3.222 1.00 0.00 H new ATOM 0 HA ALA A 82 3.052 13.871 3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.264 12.968 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.068 12.727 2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.830 14.018 1.040 1.00 0.00 H new ATOM 1216 N LEU A 83 4.398 15.164 1.515 1.00 0.00 N ATOM 1217 CA LEU A 83 5.296 16.053 0.798 1.00 0.00 C ATOM 1218 C LEU A 83 5.237 15.802 -0.701 1.00 0.00 C ATOM 1219 O LEU A 83 5.305 16.737 -1.498 1.00 0.00 O ATOM 1220 CB LEU A 83 6.729 15.864 1.295 1.00 0.00 C ATOM 1221 CG LEU A 83 6.930 16.084 2.795 1.00 0.00 C ATOM 1222 CD1 LEU A 83 8.364 15.772 3.186 1.00 0.00 C ATOM 1223 CD2 LEU A 83 6.567 17.511 3.186 1.00 0.00 C ATOM 0 H LEU A 83 4.849 14.330 1.892 1.00 0.00 H new ATOM 0 HA LEU A 83 4.977 17.078 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.053 14.854 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.379 16.551 0.753 1.00 0.00 H new ATOM 0 HG LEU A 83 6.267 15.406 3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.493 15.933 4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.589 14.733 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.041 16.426 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.718 17.644 4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.201 18.210 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.522 17.701 2.940 1.00 0.00 H new ATOM 1235 N ASN A 84 5.116 14.539 -1.085 1.00 0.00 N ATOM 1236 CA ASN A 84 5.067 14.187 -2.498 1.00 0.00 C ATOM 1237 C ASN A 84 4.152 12.995 -2.746 1.00 0.00 C ATOM 1238 O ASN A 84 3.240 13.070 -3.563 1.00 0.00 O ATOM 1239 CB ASN A 84 6.470 13.904 -3.045 1.00 0.00 C ATOM 1240 CG ASN A 84 6.450 13.555 -4.523 1.00 0.00 C ATOM 1241 OD1 ASN A 84 6.475 14.441 -5.383 1.00 0.00 O ATOM 1242 ND2 ASN A 84 6.436 12.267 -4.828 1.00 0.00 N ATOM 0 H ASN A 84 5.050 13.747 -0.445 1.00 0.00 H new ATOM 0 HA ASN A 84 4.655 15.045 -3.030 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.102 14.778 -2.888 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.917 13.082 -2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.446 11.974 -5.805 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.415 11.567 -4.086 1.00 0.00 H new ATOM 1249 N ALA A 85 4.388 11.896 -2.044 1.00 0.00 N ATOM 1250 CA ALA A 85 3.574 10.702 -2.223 1.00 0.00 C ATOM 1251 C ALA A 85 2.778 10.391 -0.966 1.00 0.00 C ATOM 1252 O ALA A 85 3.299 10.465 0.144 1.00 0.00 O ATOM 1253 CB ALA A 85 4.441 9.515 -2.611 1.00 0.00 C ATOM 0 H ALA A 85 5.130 11.806 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 85 2.869 10.895 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.814 8.633 -2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.958 9.732 -3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.174 9.328 -1.826 1.00 0.00 H new ATOM 1259 N VAL A 86 1.516 10.053 -1.158 1.00 0.00 N ATOM 1260 CA VAL A 86 0.618 9.728 -0.058 1.00 0.00 C ATOM 1261 C VAL A 86 -0.283 8.562 -0.462 1.00 0.00 C ATOM 1262 O VAL A 86 -0.711 8.475 -1.615 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.226 10.966 0.339 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -0.918 11.566 -0.874 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.244 10.632 1.421 1.00 0.00 C ATOM 0 H VAL A 86 1.082 9.995 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 86 1.207 9.434 0.811 1.00 0.00 H new ATOM 0 HB VAL A 86 0.462 11.706 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.503 12.433 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.170 11.873 -1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.578 10.823 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.815 11.526 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.921 9.859 1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.726 10.272 2.310 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.547 7.650 0.465 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.356 6.481 0.155 1.00 0.00 C ATOM 1277 C ARG A 87 -2.817 6.744 0.485 1.00 0.00 C ATOM 1278 O ARG A 87 -3.193 6.825 1.656 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.894 5.252 0.939 1.00 0.00 C ATOM 1280 CG ARG A 87 0.597 4.958 0.859 1.00 0.00 C ATOM 1281 CD ARG A 87 1.062 4.726 -0.569 1.00 0.00 C ATOM 1282 NE ARG A 87 2.376 4.084 -0.608 1.00 0.00 N ATOM 1283 CZ ARG A 87 3.362 4.430 -1.431 1.00 0.00 C ATOM 1284 NH1 ARG A 87 3.226 5.464 -2.253 1.00 0.00 N ATOM 1285 NH2 ARG A 87 4.494 3.739 -1.422 1.00 0.00 N ATOM 0 H ARG A 87 -0.216 7.697 1.429 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.240 6.286 -0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.167 5.385 1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.440 4.382 0.575 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.153 5.791 1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.825 4.078 1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.336 4.104 -1.092 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.105 5.678 -1.098 1.00 0.00 H new ATOM 0 HE ARG A 87 2.548 3.317 0.042 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.359 6.001 -2.257 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.988 5.721 -2.880 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.604 2.948 -0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.255 3.998 -2.050 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.635 6.860 -0.542 1.00 0.00 N ATOM 1300 CA LEU A 88 -5.064 7.040 -0.366 1.00 0.00 C ATOM 1301 C LEU A 88 -5.781 5.735 -0.659 1.00 0.00 C ATOM 1302 O LEU A 88 -5.892 5.327 -1.814 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.608 8.141 -1.293 1.00 0.00 C ATOM 1304 CG LEU A 88 -5.286 9.588 -0.895 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -5.806 9.894 0.498 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -3.797 9.860 -0.972 1.00 0.00 C ATOM 0 H LEU A 88 -3.332 6.833 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.243 7.342 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.217 7.967 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.691 8.035 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.789 10.245 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.566 10.925 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.887 9.756 0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.339 9.221 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.600 10.893 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.269 9.188 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.449 9.695 -1.992 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.244 5.065 0.379 1.00 0.00 N ATOM 1319 CA LEU A 89 -7.007 3.850 0.187 1.00 0.00 C ATOM 1320 C LEU A 89 -8.483 4.188 0.132 1.00 0.00 C ATOM 1321 O LEU A 89 -9.045 4.738 1.082 1.00 0.00 O ATOM 1322 CB LEU A 89 -6.739 2.838 1.294 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.402 1.479 1.077 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -6.886 0.820 -0.191 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -7.173 0.580 2.270 1.00 0.00 C ATOM 0 H LEU A 89 -6.107 5.338 1.352 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.697 3.395 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.662 2.694 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.087 3.252 2.241 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.474 1.640 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.373 -0.146 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.106 1.457 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.808 0.675 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.653 -0.383 2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.103 0.432 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.598 1.042 3.161 1.00 0.00 H new ATOM 1337 N VAL A 90 -9.106 3.848 -0.974 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.466 4.280 -1.239 1.00 0.00 C ATOM 1339 C VAL A 90 -11.341 3.107 -1.646 1.00 0.00 C ATOM 1340 O VAL A 90 -10.853 2.108 -2.180 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.513 5.362 -2.343 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -9.869 6.654 -1.862 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.834 4.870 -3.615 1.00 0.00 C ATOM 0 H VAL A 90 -8.694 3.272 -1.708 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.849 4.709 -0.313 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.560 5.564 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.914 7.400 -2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.403 7.023 -0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.828 6.466 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.880 5.649 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.792 4.632 -3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.344 3.977 -3.978 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.625 3.224 -1.358 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.587 2.206 -1.726 1.00 0.00 C ATOM 1355 C VAL A 91 -14.957 2.844 -1.968 1.00 0.00 C ATOM 1356 O VAL A 91 -15.362 3.750 -1.241 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.675 1.114 -0.630 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.199 1.679 0.686 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.528 -0.054 -1.095 1.00 0.00 C ATOM 0 H VAL A 91 -13.026 4.022 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.257 1.729 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.664 0.749 -0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.247 0.884 1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.530 2.465 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.196 2.093 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.574 -0.807 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.535 0.298 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.088 -0.492 -1.991 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.648 2.411 -3.017 1.00 0.00 N ATOM 1370 CA ASP A 92 -17.028 2.833 -3.245 1.00 0.00 C ATOM 1371 C ASP A 92 -17.891 2.362 -2.090 1.00 0.00 C ATOM 1372 O ASP A 92 -17.671 1.276 -1.561 1.00 0.00 O ATOM 1373 CB ASP A 92 -17.599 2.226 -4.532 1.00 0.00 C ATOM 1374 CG ASP A 92 -16.856 2.623 -5.783 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -15.912 1.899 -6.170 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -17.238 3.633 -6.407 1.00 0.00 O ATOM 0 H ASP A 92 -15.279 1.771 -3.720 1.00 0.00 H new ATOM 0 HA ASP A 92 -17.031 3.920 -3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -17.587 1.140 -4.445 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -18.642 2.527 -4.631 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.887 3.163 -1.682 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.872 2.736 -0.684 1.00 0.00 C ATOM 1383 C PRO A 93 -20.589 1.469 -1.138 1.00 0.00 C ATOM 1384 O PRO A 93 -20.956 0.611 -0.334 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.845 3.918 -0.606 1.00 0.00 C ATOM 1386 CG PRO A 93 -20.075 5.088 -1.115 1.00 0.00 C ATOM 1387 CD PRO A 93 -19.119 4.544 -2.138 1.00 0.00 C ATOM 0 HA PRO A 93 -19.422 2.496 0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -21.734 3.738 -1.211 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -21.183 4.083 0.417 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -20.740 5.829 -1.558 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.539 5.584 -0.306 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -19.545 4.571 -3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.193 5.118 -2.169 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.761 1.362 -2.450 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.355 0.187 -3.069 1.00 0.00 C ATOM 1397 C GLU A 94 -20.382 -0.990 -3.005 1.00 0.00 C ATOM 1398 O GLU A 94 -20.761 -2.111 -2.662 1.00 0.00 O ATOM 1399 CB GLU A 94 -21.693 0.503 -4.526 1.00 0.00 C ATOM 1400 CG GLU A 94 -22.410 1.832 -4.704 1.00 0.00 C ATOM 1401 CD GLU A 94 -22.454 2.282 -6.146 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -21.415 2.746 -6.654 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -23.528 2.187 -6.774 1.00 0.00 O ATOM 0 H GLU A 94 -20.492 2.088 -3.114 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.265 -0.083 -2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -20.773 0.513 -5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -22.317 -0.295 -4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.428 1.745 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -21.910 2.593 -4.105 1.00 0.00 H new ATOM 1410 N THR A 95 -19.124 -0.713 -3.335 1.00 0.00 N ATOM 1411 CA THR A 95 -18.068 -1.715 -3.309 1.00 0.00 C ATOM 1412 C THR A 95 -17.842 -2.239 -1.889 1.00 0.00 C ATOM 1413 O THR A 95 -17.733 -3.447 -1.672 1.00 0.00 O ATOM 1414 CB THR A 95 -16.754 -1.123 -3.866 1.00 0.00 C ATOM 1415 OG1 THR A 95 -16.951 -0.683 -5.218 1.00 0.00 O ATOM 1416 CG2 THR A 95 -15.622 -2.136 -3.819 1.00 0.00 C ATOM 0 H THR A 95 -18.810 0.212 -3.628 1.00 0.00 H new ATOM 0 HA THR A 95 -18.380 -2.549 -3.938 1.00 0.00 H new ATOM 0 HB THR A 95 -16.477 -0.276 -3.238 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.111 -0.322 -5.570 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.714 -1.685 -4.218 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.451 -2.443 -2.787 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.888 -3.007 -4.418 1.00 0.00 H new ATOM 1424 N ASP A 96 -17.809 -1.323 -0.925 1.00 0.00 N ATOM 1425 CA ASP A 96 -17.583 -1.672 0.476 1.00 0.00 C ATOM 1426 C ASP A 96 -18.657 -2.629 0.976 1.00 0.00 C ATOM 1427 O ASP A 96 -18.371 -3.539 1.745 1.00 0.00 O ATOM 1428 CB ASP A 96 -17.563 -0.406 1.344 1.00 0.00 C ATOM 1429 CG ASP A 96 -17.512 -0.709 2.833 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -16.435 -1.083 3.336 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -18.554 -0.564 3.508 1.00 0.00 O ATOM 0 H ASP A 96 -17.937 -0.325 -1.090 1.00 0.00 H new ATOM 0 HA ASP A 96 -16.616 -2.169 0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -16.699 0.201 1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -18.451 0.189 1.130 1.00 0.00 H new ATOM 1436 N GLU A 97 -19.880 -2.432 0.504 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.004 -3.276 0.892 1.00 0.00 C ATOM 1438 C GLU A 97 -20.730 -4.724 0.503 1.00 0.00 C ATOM 1439 O GLU A 97 -20.931 -5.648 1.293 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.280 -2.783 0.213 1.00 0.00 C ATOM 1441 CG GLU A 97 -23.544 -3.461 0.710 1.00 0.00 C ATOM 1442 CD GLU A 97 -24.748 -3.134 -0.145 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -24.778 -2.042 -0.754 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -25.665 -3.974 -0.233 1.00 0.00 O ATOM 0 H GLU A 97 -20.121 -1.690 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.133 -3.222 1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -22.371 -1.708 0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -22.193 -2.943 -0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.393 -4.540 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -23.738 -3.154 1.738 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.251 -4.904 -0.722 1.00 0.00 N ATOM 1452 CA GLN A 98 -19.858 -6.215 -1.213 1.00 0.00 C ATOM 1453 C GLN A 98 -18.678 -6.745 -0.404 1.00 0.00 C ATOM 1454 O GLN A 98 -18.662 -7.907 -0.006 1.00 0.00 O ATOM 1455 CB GLN A 98 -19.499 -6.131 -2.701 1.00 0.00 C ATOM 1456 CG GLN A 98 -18.938 -7.418 -3.297 1.00 0.00 C ATOM 1457 CD GLN A 98 -19.896 -8.593 -3.212 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -20.720 -8.808 -4.103 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -19.784 -9.369 -2.148 1.00 0.00 N ATOM 0 H GLN A 98 -20.125 -4.150 -1.397 1.00 0.00 H new ATOM 0 HA GLN A 98 -20.694 -6.905 -1.097 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -20.391 -5.847 -3.260 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -18.768 -5.334 -2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -18.682 -7.243 -4.342 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -18.013 -7.675 -2.780 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -19.089 -9.156 -1.433 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -20.393 -10.180 -2.042 1.00 0.00 H new ATOM 1468 N LEU A 99 -17.712 -5.877 -0.140 1.00 0.00 N ATOM 1469 CA LEU A 99 -16.512 -6.247 0.608 1.00 0.00 C ATOM 1470 C LEU A 99 -16.851 -6.688 2.030 1.00 0.00 C ATOM 1471 O LEU A 99 -16.142 -7.504 2.618 1.00 0.00 O ATOM 1472 CB LEU A 99 -15.525 -5.089 0.643 1.00 0.00 C ATOM 1473 CG LEU A 99 -15.087 -4.571 -0.730 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -13.732 -3.915 -0.619 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -15.060 -5.690 -1.767 1.00 0.00 C ATOM 0 H LEU A 99 -17.734 -4.901 -0.435 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.053 -7.091 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -15.973 -4.266 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.639 -5.402 1.196 1.00 0.00 H new ATOM 0 HG LEU A 99 -15.816 -3.833 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.424 -3.548 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -13.788 -3.081 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.004 -4.642 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -14.745 -5.287 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.359 -6.463 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.056 -6.121 -1.863 1.00 0.00 H new ATOM 1487 N GLN A 100 -17.914 -6.121 2.589 1.00 0.00 N ATOM 1488 CA GLN A 100 -18.401 -6.528 3.901 1.00 0.00 C ATOM 1489 C GLN A 100 -18.810 -8.000 3.894 1.00 0.00 C ATOM 1490 O GLN A 100 -18.665 -8.695 4.900 1.00 0.00 O ATOM 1491 CB GLN A 100 -19.572 -5.649 4.345 1.00 0.00 C ATOM 1492 CG GLN A 100 -19.189 -4.190 4.517 1.00 0.00 C ATOM 1493 CD GLN A 100 -18.077 -3.994 5.529 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -17.963 -4.740 6.500 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -17.233 -3.001 5.298 1.00 0.00 N ATOM 0 H GLN A 100 -18.456 -5.376 2.152 1.00 0.00 H new ATOM 0 HA GLN A 100 -17.588 -6.400 4.616 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -20.374 -5.724 3.610 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -19.967 -6.029 5.288 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.875 -3.785 3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -20.065 -3.623 4.831 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.360 -2.403 4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -16.455 -2.834 5.936 1.00 0.00 H new ATOM 1504 N LYS A 101 -19.346 -8.461 2.762 1.00 0.00 N ATOM 1505 CA LYS A 101 -19.648 -9.880 2.571 1.00 0.00 C ATOM 1506 C LYS A 101 -18.365 -10.704 2.625 1.00 0.00 C ATOM 1507 O LYS A 101 -18.346 -11.811 3.167 1.00 0.00 O ATOM 1508 CB LYS A 101 -20.334 -10.112 1.223 1.00 0.00 C ATOM 1509 CG LYS A 101 -21.749 -9.564 1.125 1.00 0.00 C ATOM 1510 CD LYS A 101 -22.724 -10.356 1.982 1.00 0.00 C ATOM 1511 CE LYS A 101 -22.666 -11.850 1.687 1.00 0.00 C ATOM 1512 NZ LYS A 101 -22.790 -12.152 0.236 1.00 0.00 N ATOM 0 H LYS A 101 -19.580 -7.871 1.963 1.00 0.00 H new ATOM 0 HA LYS A 101 -20.319 -10.191 3.372 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -19.728 -9.657 0.440 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -20.360 -11.183 1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -21.756 -8.520 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -22.077 -9.588 0.086 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -22.500 -10.186 3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -23.737 -9.992 1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -21.724 -12.254 2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -23.466 -12.355 2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -23.272 -13.065 0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -23.342 -11.403 -0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -21.843 -12.200 -0.191 1.00 0.00 H new ATOM 1526 N LEU A 102 -17.307 -10.156 2.037 1.00 0.00 N ATOM 1527 CA LEU A 102 -15.990 -10.780 2.056 1.00 0.00 C ATOM 1528 C LEU A 102 -15.475 -10.890 3.483 1.00 0.00 C ATOM 1529 O LEU A 102 -15.431 -11.975 4.061 1.00 0.00 O ATOM 1530 CB LEU A 102 -14.990 -9.960 1.227 1.00 0.00 C ATOM 1531 CG LEU A 102 -15.079 -10.097 -0.296 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -16.449 -9.719 -0.826 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -14.012 -9.243 -0.959 1.00 0.00 C ATOM 0 H LEU A 102 -17.338 -9.269 1.535 1.00 0.00 H new ATOM 0 HA LEU A 102 -16.086 -11.776 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.120 -8.908 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.983 -10.241 1.535 1.00 0.00 H new ATOM 0 HG LEU A 102 -14.913 -11.147 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -16.464 -9.832 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -17.203 -10.370 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -16.666 -8.683 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -14.083 -9.347 -2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -14.159 -8.199 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -13.026 -9.570 -0.627 1.00 0.00 H new ATOM 1545 N GLY A 103 -15.080 -9.751 4.036 1.00 0.00 N ATOM 1546 CA GLY A 103 -14.574 -9.706 5.395 1.00 0.00 C ATOM 1547 C GLY A 103 -13.141 -10.198 5.519 1.00 0.00 C ATOM 1548 O GLY A 103 -12.475 -9.932 6.520 1.00 0.00 O ATOM 0 H GLY A 103 -15.101 -8.848 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -14.632 -8.682 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.216 -10.312 6.035 1.00 0.00 H new ATOM 1552 N VAL A 104 -12.650 -10.884 4.489 1.00 0.00 N ATOM 1553 CA VAL A 104 -11.336 -11.528 4.538 1.00 0.00 C ATOM 1554 C VAL A 104 -10.202 -10.526 4.296 1.00 0.00 C ATOM 1555 O VAL A 104 -9.429 -10.658 3.348 1.00 0.00 O ATOM 1556 CB VAL A 104 -11.235 -12.685 3.515 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -9.994 -13.530 3.776 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -12.489 -13.549 3.552 1.00 0.00 C ATOM 0 H VAL A 104 -13.144 -11.009 3.605 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.227 -11.936 5.543 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.149 -12.250 2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.943 -14.337 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.104 -12.906 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.046 -13.952 4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.396 -14.356 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -12.611 -13.971 4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -13.359 -12.939 3.308 1.00 0.00 H new ATOM 1568 N GLN A 105 -10.152 -9.505 5.150 1.00 0.00 N ATOM 1569 CA GLN A 105 -9.038 -8.554 5.208 1.00 0.00 C ATOM 1570 C GLN A 105 -8.649 -8.002 3.830 1.00 0.00 C ATOM 1571 O GLN A 105 -7.474 -7.746 3.565 1.00 0.00 O ATOM 1572 CB GLN A 105 -7.831 -9.230 5.858 1.00 0.00 C ATOM 1573 CG GLN A 105 -8.079 -9.714 7.277 1.00 0.00 C ATOM 1574 CD GLN A 105 -8.047 -8.600 8.307 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -8.371 -7.446 8.019 1.00 0.00 O ATOM 1576 NE2 GLN A 105 -7.647 -8.945 9.521 1.00 0.00 N ATOM 0 H GLN A 105 -10.889 -9.311 5.828 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.368 -7.703 5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.529 -10.079 5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -6.996 -8.529 5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.048 -10.211 7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.327 -10.460 7.535 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.388 -9.912 9.717 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.598 -8.244 10.260 1.00 0.00 H new ATOM 1585 N VAL A 106 -9.634 -7.788 2.968 1.00 0.00 N ATOM 1586 CA VAL A 106 -9.365 -7.307 1.617 1.00 0.00 C ATOM 1587 C VAL A 106 -8.880 -5.864 1.622 1.00 0.00 C ATOM 1588 O VAL A 106 -8.293 -5.399 0.652 1.00 0.00 O ATOM 1589 CB VAL A 106 -10.596 -7.423 0.700 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -10.861 -8.875 0.350 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -11.823 -6.793 1.346 1.00 0.00 C ATOM 0 H VAL A 106 -10.621 -7.938 3.177 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.578 -7.949 1.222 1.00 0.00 H new ATOM 0 HB VAL A 106 -10.385 -6.877 -0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.735 -8.939 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.995 -9.289 -0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -11.045 -9.442 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -12.677 -6.890 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.040 -7.300 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -11.631 -5.738 1.539 1.00 0.00 H new ATOM 1601 N ARG A 107 -9.116 -5.166 2.720 1.00 0.00 N ATOM 1602 CA ARG A 107 -8.692 -3.780 2.842 1.00 0.00 C ATOM 1603 C ARG A 107 -7.187 -3.679 3.078 1.00 0.00 C ATOM 1604 O ARG A 107 -6.574 -2.658 2.776 1.00 0.00 O ATOM 1605 CB ARG A 107 -9.435 -3.103 3.994 1.00 0.00 C ATOM 1606 CG ARG A 107 -9.060 -1.642 4.185 1.00 0.00 C ATOM 1607 CD ARG A 107 -9.616 -1.077 5.480 1.00 0.00 C ATOM 1608 NE ARG A 107 -11.077 -1.047 5.497 1.00 0.00 N ATOM 1609 CZ ARG A 107 -11.785 -0.229 6.271 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -11.167 0.646 7.051 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -13.111 -0.267 6.256 1.00 0.00 N ATOM 0 H ARG A 107 -9.598 -5.535 3.539 1.00 0.00 H new ATOM 0 HA ARG A 107 -8.929 -3.275 1.905 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -10.508 -3.174 3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -9.230 -3.646 4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.975 -1.543 4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -9.435 -1.058 3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -9.259 -1.677 6.317 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -9.234 -0.067 5.625 1.00 0.00 H new ATOM 0 HE ARG A 107 -11.580 -1.687 4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -10.148 0.692 7.058 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -11.710 1.273 7.644 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -13.595 -0.927 5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -13.646 0.364 6.853 1.00 0.00 H new ATOM 1625 N GLU A 108 -6.588 -4.739 3.617 1.00 0.00 N ATOM 1626 CA GLU A 108 -5.193 -4.672 4.045 1.00 0.00 C ATOM 1627 C GLU A 108 -4.405 -5.920 3.656 1.00 0.00 C ATOM 1628 O GLU A 108 -3.407 -5.830 2.943 1.00 0.00 O ATOM 1629 CB GLU A 108 -5.133 -4.460 5.556 1.00 0.00 C ATOM 1630 CG GLU A 108 -5.732 -3.136 5.991 1.00 0.00 C ATOM 1631 CD GLU A 108 -5.938 -3.049 7.487 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -4.970 -2.716 8.205 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -7.068 -3.311 7.952 1.00 0.00 O ATOM 0 H GLU A 108 -7.039 -5.642 3.766 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.729 -3.830 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.662 -5.273 6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.094 -4.508 5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.079 -2.324 5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.688 -2.992 5.488 1.00 0.00 H new ATOM 1640 N GLU A 109 -4.861 -7.079 4.115 1.00 0.00 N ATOM 1641 CA GLU A 109 -4.150 -8.332 3.881 1.00 0.00 C ATOM 1642 C GLU A 109 -4.131 -8.676 2.392 1.00 0.00 C ATOM 1643 O GLU A 109 -3.209 -9.328 1.910 1.00 0.00 O ATOM 1644 CB GLU A 109 -4.788 -9.459 4.697 1.00 0.00 C ATOM 1645 CG GLU A 109 -4.030 -10.772 4.645 1.00 0.00 C ATOM 1646 CD GLU A 109 -4.588 -11.799 5.608 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -5.523 -12.532 5.232 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -4.095 -11.872 6.753 1.00 0.00 O ATOM 0 H GLU A 109 -5.722 -7.178 4.653 1.00 0.00 H new ATOM 0 HA GLU A 109 -3.117 -8.213 4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -4.868 -9.140 5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -5.803 -9.624 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.068 -11.170 3.631 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.980 -10.592 4.878 1.00 0.00 H new ATOM 1655 N LEU A 110 -5.149 -8.221 1.665 1.00 0.00 N ATOM 1656 CA LEU A 110 -5.185 -8.387 0.215 1.00 0.00 C ATOM 1657 C LEU A 110 -4.013 -7.634 -0.416 1.00 0.00 C ATOM 1658 O LEU A 110 -3.343 -8.144 -1.315 1.00 0.00 O ATOM 1659 CB LEU A 110 -6.527 -7.880 -0.343 1.00 0.00 C ATOM 1660 CG LEU A 110 -6.916 -8.370 -1.750 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -6.094 -7.680 -2.829 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -6.762 -9.880 -1.847 1.00 0.00 C ATOM 0 H LEU A 110 -5.957 -7.736 2.055 1.00 0.00 H new ATOM 0 HA LEU A 110 -5.094 -9.445 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.316 -8.171 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.501 -6.790 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.962 -8.111 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.396 -8.050 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.261 -6.604 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.036 -7.891 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.041 -10.211 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -5.725 -10.153 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.409 -10.360 -1.113 1.00 0.00 H new ATOM 1850 N THR B 3 -13.436 20.807 0.441 1.00 0.00 N ATOM 1851 CA THR B 3 -12.249 21.524 -0.010 1.00 0.00 C ATOM 1852 C THR B 3 -11.427 20.718 -1.014 1.00 0.00 C ATOM 1853 O THR B 3 -11.490 19.488 -1.045 1.00 0.00 O ATOM 1854 CB THR B 3 -11.365 21.917 1.198 1.00 0.00 C ATOM 1855 OG1 THR B 3 -10.300 22.785 0.781 1.00 0.00 O ATOM 1856 CG2 THR B 3 -10.785 20.684 1.884 1.00 0.00 C ATOM 0 HA THR B 3 -12.596 22.424 -0.518 1.00 0.00 H new ATOM 0 HB THR B 3 -11.998 22.443 1.912 1.00 0.00 H new ATOM 0 HG1 THR B 3 -9.850 23.153 1.570 1.00 0.00 H new ATOM 0 HG21 THR B 3 -10.169 20.993 2.728 1.00 0.00 H new ATOM 0 HG22 THR B 3 -11.597 20.050 2.240 1.00 0.00 H new ATOM 0 HG23 THR B 3 -10.174 20.126 1.174 1.00 0.00 H new ATOM 1864 N ARG B 4 -10.676 21.434 -1.846 1.00 0.00 N ATOM 1865 CA ARG B 4 -9.762 20.816 -2.797 1.00 0.00 C ATOM 1866 C ARG B 4 -8.464 20.431 -2.106 1.00 0.00 C ATOM 1867 O ARG B 4 -7.808 21.269 -1.487 1.00 0.00 O ATOM 1868 CB ARG B 4 -9.454 21.763 -3.963 1.00 0.00 C ATOM 1869 CG ARG B 4 -8.356 21.250 -4.885 1.00 0.00 C ATOM 1870 CD ARG B 4 -7.990 22.272 -5.947 1.00 0.00 C ATOM 1871 NE ARG B 4 -6.893 21.809 -6.796 1.00 0.00 N ATOM 1872 CZ ARG B 4 -6.993 21.651 -8.115 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -8.127 21.953 -8.736 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -5.954 21.213 -8.816 1.00 0.00 N ATOM 0 H ARG B 4 -10.685 22.453 -1.879 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.246 19.922 -3.190 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -10.363 21.919 -4.544 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -9.160 22.734 -3.565 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -7.472 21.005 -4.296 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -8.685 20.328 -5.365 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -8.863 22.482 -6.565 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -7.707 23.209 -5.467 1.00 0.00 H new ATOM 0 HE ARG B 4 -6.000 21.595 -6.353 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -8.922 22.306 -8.203 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -8.203 21.832 -9.746 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -5.076 20.996 -8.345 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -6.034 21.093 -9.826 1.00 0.00 H new ATOM 1888 N LEU B 5 -8.108 19.171 -2.215 1.00 0.00 N ATOM 1889 CA LEU B 5 -6.873 18.668 -1.651 1.00 0.00 C ATOM 1890 C LEU B 5 -5.751 18.766 -2.662 1.00 0.00 C ATOM 1891 O LEU B 5 -4.675 19.275 -2.303 1.00 0.00 O ATOM 1892 CB LEU B 5 -7.044 17.223 -1.193 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.495 17.064 0.262 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -8.917 17.566 0.440 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -7.381 15.620 0.705 1.00 0.00 C ATOM 1896 OXT LEU B 5 -5.961 18.347 -3.819 1.00 0.00 O ATOM 0 H LEU B 5 -8.665 18.465 -2.697 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.617 19.279 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -7.772 16.734 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -6.097 16.699 -1.325 1.00 0.00 H new ATOM 0 HG LEU B 5 -6.837 17.666 0.889 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -9.218 17.444 1.480 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -8.967 18.621 0.169 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -9.588 16.994 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -7.707 15.531 1.741 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -8.010 14.994 0.072 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -6.344 15.294 0.621 1.00 0.00 H new