USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 486 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 10 SER OG : rot 170:sc= -0.156 USER MOD Single : A 12 TYR OH : rot 180:sc= -1.53! USER MOD Single : A 13 MET CE :methyl -163:sc= -0.0199 (180deg=-0.452) USER MOD Single : A 17 ASN : amide:sc= -1.72! C(o=-1.7!,f=-4.9!) USER MOD Single : A 18 SER OG : rot -147:sc= 0.787 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0308 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 152:sc= -6.8! (180deg=-10.7!) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.166) USER MOD Single : A 49 LYS NZ :NH3+ -155:sc= 0.124 (180deg=-0.609!) USER MOD Single : A 50 SER OG : rot 47:sc= 0.173 USER MOD Single : A 55 LYS NZ :NH3+ 155:sc= -0.0859 (180deg=-0.233) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N ARG A 7 -0.198 1.442 -7.498 1.00 0.00 N ATOM 83 CA ARG A 7 0.233 1.264 -6.084 1.00 0.00 C ATOM 84 C ARG A 7 1.112 0.010 -5.955 1.00 0.00 C ATOM 85 O ARG A 7 0.827 -1.006 -6.558 1.00 0.00 O ATOM 86 CB ARG A 7 -1.003 1.110 -5.196 1.00 0.00 C ATOM 87 CG ARG A 7 -1.892 -0.007 -5.747 1.00 0.00 C ATOM 88 CD ARG A 7 -2.267 -0.964 -4.616 1.00 0.00 C ATOM 89 NE ARG A 7 -3.679 -0.723 -4.208 1.00 0.00 N ATOM 90 CZ ARG A 7 -4.282 -1.564 -3.413 1.00 0.00 C ATOM 91 NH1 ARG A 7 -4.018 -1.556 -2.135 1.00 0.00 N ATOM 92 NH2 ARG A 7 -5.149 -2.411 -3.895 1.00 0.00 N ATOM 0 HA ARG A 7 0.808 2.136 -5.772 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.703 0.879 -4.174 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.558 2.047 -5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.792 0.416 -6.193 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.369 -0.547 -6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.143 -1.996 -4.943 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.601 -0.817 -3.765 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.175 0.100 -4.550 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.341 -0.893 -1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.489 -2.213 -1.513 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.356 -2.416 -4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.620 -3.068 -3.273 1.00 0.00 H new ATOM 106 N PRO A 8 2.148 0.120 -5.157 1.00 0.00 N ATOM 107 CA PRO A 8 3.087 -0.991 -4.905 1.00 0.00 C ATOM 108 C PRO A 8 2.422 -2.069 -4.046 1.00 0.00 C ATOM 109 O PRO A 8 1.657 -1.778 -3.148 1.00 0.00 O ATOM 110 CB PRO A 8 4.238 -0.323 -4.141 1.00 0.00 C ATOM 111 CG PRO A 8 3.644 0.958 -3.518 1.00 0.00 C ATOM 112 CD PRO A 8 2.479 1.361 -4.433 1.00 0.00 C ATOM 0 HA PRO A 8 3.416 -1.488 -5.818 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.632 -0.986 -3.371 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.065 -0.085 -4.810 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.298 0.775 -2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.391 1.750 -3.463 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.628 1.727 -3.858 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.767 2.158 -5.118 1.00 0.00 H new ATOM 120 N LEU A 9 2.709 -3.311 -4.313 1.00 0.00 N ATOM 121 CA LEU A 9 2.099 -4.405 -3.511 1.00 0.00 C ATOM 122 C LEU A 9 3.160 -5.424 -3.139 1.00 0.00 C ATOM 123 O LEU A 9 4.344 -5.207 -3.295 1.00 0.00 O ATOM 124 CB LEU A 9 0.996 -5.081 -4.307 1.00 0.00 C ATOM 125 CG LEU A 9 1.537 -5.481 -5.660 1.00 0.00 C ATOM 126 CD1 LEU A 9 0.660 -6.590 -6.223 1.00 0.00 C ATOM 127 CD2 LEU A 9 1.504 -4.258 -6.567 1.00 0.00 C ATOM 0 H LEU A 9 3.341 -3.616 -5.053 1.00 0.00 H new ATOM 0 HA LEU A 9 1.673 -3.981 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.631 -5.959 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.149 -4.405 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 9 2.562 -5.844 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.037 -6.891 -7.201 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.678 -7.446 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.363 -6.229 -6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.891 -4.524 -7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.477 -3.905 -6.664 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.120 -3.469 -6.136 1.00 0.00 H new ATOM 139 N SER A 10 2.729 -6.527 -2.629 1.00 0.00 N ATOM 140 CA SER A 10 3.689 -7.590 -2.209 1.00 0.00 C ATOM 141 C SER A 10 4.108 -8.433 -3.417 1.00 0.00 C ATOM 142 O SER A 10 3.367 -8.597 -4.368 1.00 0.00 O ATOM 143 CB SER A 10 3.027 -8.487 -1.161 1.00 0.00 C ATOM 144 OG SER A 10 3.413 -9.837 -1.388 1.00 0.00 O ATOM 0 H SER A 10 1.745 -6.750 -2.479 1.00 0.00 H new ATOM 0 HA SER A 10 4.576 -7.121 -1.783 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.323 -8.175 -0.159 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.943 -8.392 -1.217 1.00 0.00 H new ATOM 0 HG SER A 10 3.126 -10.391 -0.632 1.00 0.00 H new ATOM 150 N ALA A 11 5.297 -8.975 -3.382 1.00 0.00 N ATOM 151 CA ALA A 11 5.767 -9.813 -4.520 1.00 0.00 C ATOM 152 C ALA A 11 4.834 -11.015 -4.675 1.00 0.00 C ATOM 153 O ALA A 11 4.413 -11.350 -5.765 1.00 0.00 O ATOM 154 CB ALA A 11 7.192 -10.298 -4.248 1.00 0.00 C ATOM 0 H ALA A 11 5.961 -8.873 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 11 5.760 -9.224 -5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.533 -10.911 -5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.853 -9.439 -4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.206 -10.890 -3.333 1.00 0.00 H new ATOM 160 N TYR A 12 4.493 -11.658 -3.590 1.00 0.00 N ATOM 161 CA TYR A 12 3.575 -12.821 -3.669 1.00 0.00 C ATOM 162 C TYR A 12 2.326 -12.404 -4.444 1.00 0.00 C ATOM 163 O TYR A 12 1.650 -13.215 -5.046 1.00 0.00 O ATOM 164 CB TYR A 12 3.196 -13.228 -2.246 1.00 0.00 C ATOM 165 CG TYR A 12 1.957 -14.089 -2.272 1.00 0.00 C ATOM 166 CD1 TYR A 12 1.899 -15.193 -3.128 1.00 0.00 C ATOM 167 CD2 TYR A 12 0.869 -13.785 -1.446 1.00 0.00 C ATOM 168 CE1 TYR A 12 0.756 -15.994 -3.161 1.00 0.00 C ATOM 169 CE2 TYR A 12 -0.277 -14.588 -1.477 1.00 0.00 C ATOM 170 CZ TYR A 12 -0.335 -15.694 -2.335 1.00 0.00 C ATOM 171 OH TYR A 12 -1.466 -16.486 -2.367 1.00 0.00 O ATOM 0 H TYR A 12 4.814 -11.423 -2.651 1.00 0.00 H new ATOM 0 HA TYR A 12 4.050 -13.661 -4.176 1.00 0.00 H new ATOM 0 HB2 TYR A 12 4.019 -13.773 -1.783 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.020 -12.340 -1.639 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.740 -15.426 -3.765 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.914 -12.932 -0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.713 -16.846 -3.824 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.117 -14.355 -0.839 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.127 -16.139 -1.732 1.00 0.00 H new ATOM 181 N MET A 13 2.020 -11.139 -4.427 1.00 0.00 N ATOM 182 CA MET A 13 0.823 -10.651 -5.150 1.00 0.00 C ATOM 183 C MET A 13 1.109 -10.612 -6.652 1.00 0.00 C ATOM 184 O MET A 13 0.327 -11.089 -7.448 1.00 0.00 O ATOM 185 CB MET A 13 0.488 -9.251 -4.646 1.00 0.00 C ATOM 186 CG MET A 13 0.574 -9.227 -3.118 1.00 0.00 C ATOM 187 SD MET A 13 -0.370 -10.612 -2.431 1.00 0.00 S ATOM 188 CE MET A 13 -2.019 -9.973 -2.811 1.00 0.00 C ATOM 0 H MET A 13 2.553 -10.420 -3.939 1.00 0.00 H new ATOM 0 HA MET A 13 -0.020 -11.318 -4.972 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.180 -8.524 -5.072 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.513 -8.966 -4.969 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.615 -9.292 -2.802 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.183 -8.284 -2.737 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.762 -10.508 -2.219 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.061 -8.910 -2.572 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.229 -10.116 -3.871 1.00 0.00 H new ATOM 198 N LEU A 14 2.221 -10.057 -7.052 1.00 0.00 N ATOM 199 CA LEU A 14 2.528 -10.012 -8.513 1.00 0.00 C ATOM 200 C LEU A 14 2.403 -11.422 -9.086 1.00 0.00 C ATOM 201 O LEU A 14 1.933 -11.618 -10.189 1.00 0.00 O ATOM 202 CB LEU A 14 3.957 -9.507 -8.763 1.00 0.00 C ATOM 203 CG LEU A 14 4.287 -8.334 -7.832 1.00 0.00 C ATOM 204 CD1 LEU A 14 5.654 -7.747 -8.203 1.00 0.00 C ATOM 205 CD2 LEU A 14 3.223 -7.248 -7.987 1.00 0.00 C ATOM 0 H LEU A 14 2.922 -9.638 -6.441 1.00 0.00 H new ATOM 0 HA LEU A 14 1.826 -9.330 -8.993 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.668 -10.317 -8.602 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.061 -9.194 -9.802 1.00 0.00 H new ATOM 0 HG LEU A 14 4.309 -8.690 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.885 -6.914 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.420 -8.516 -8.100 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.631 -7.394 -9.234 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.456 -6.413 -7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.207 -6.899 -9.020 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.246 -7.656 -7.726 1.00 0.00 H new ATOM 217 N TRP A 15 2.829 -12.407 -8.344 1.00 0.00 N ATOM 218 CA TRP A 15 2.745 -13.809 -8.841 1.00 0.00 C ATOM 219 C TRP A 15 1.281 -14.245 -8.912 1.00 0.00 C ATOM 220 O TRP A 15 0.868 -14.915 -9.837 1.00 0.00 O ATOM 221 CB TRP A 15 3.508 -14.729 -7.886 1.00 0.00 C ATOM 222 CG TRP A 15 3.277 -16.156 -8.269 1.00 0.00 C ATOM 223 CD1 TRP A 15 3.989 -16.838 -9.197 1.00 0.00 C ATOM 224 CD2 TRP A 15 2.282 -17.087 -7.753 1.00 0.00 C ATOM 225 NE1 TRP A 15 3.495 -18.128 -9.279 1.00 0.00 N ATOM 226 CE2 TRP A 15 2.441 -18.329 -8.409 1.00 0.00 C ATOM 227 CE3 TRP A 15 1.267 -16.973 -6.786 1.00 0.00 C ATOM 228 CZ2 TRP A 15 1.623 -19.420 -8.118 1.00 0.00 C ATOM 229 CZ3 TRP A 15 0.440 -18.069 -6.491 1.00 0.00 C ATOM 230 CH2 TRP A 15 0.617 -19.290 -7.156 1.00 0.00 C ATOM 0 H TRP A 15 3.232 -12.301 -7.413 1.00 0.00 H new ATOM 0 HA TRP A 15 3.184 -13.869 -9.837 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.573 -14.501 -7.920 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.178 -14.559 -6.861 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.808 -16.440 -9.778 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.864 -18.843 -9.905 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.123 -16.037 -6.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 1.766 -20.359 -8.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.337 -17.970 -5.747 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.023 -20.129 -6.926 1.00 0.00 H new ATOM 241 N LEU A 16 0.493 -13.877 -7.940 1.00 0.00 N ATOM 242 CA LEU A 16 -0.942 -14.280 -7.957 1.00 0.00 C ATOM 243 C LEU A 16 -1.642 -13.648 -9.162 1.00 0.00 C ATOM 244 O LEU A 16 -2.569 -14.207 -9.716 1.00 0.00 O ATOM 245 CB LEU A 16 -1.617 -13.805 -6.669 1.00 0.00 C ATOM 246 CG LEU A 16 -0.961 -14.487 -5.470 1.00 0.00 C ATOM 247 CD1 LEU A 16 -1.119 -13.605 -4.230 1.00 0.00 C ATOM 248 CD2 LEU A 16 -1.635 -15.839 -5.224 1.00 0.00 C ATOM 0 H LEU A 16 0.779 -13.317 -7.137 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.012 -15.365 -8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.530 -12.722 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.681 -14.038 -6.696 1.00 0.00 H new ATOM 0 HG LEU A 16 0.099 -14.639 -5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.651 -14.092 -3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.641 -12.641 -4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.179 -13.452 -4.025 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.169 -16.328 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.695 -15.686 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.522 -16.468 -6.107 1.00 0.00 H new ATOM 260 N ASN A 17 -1.209 -12.489 -9.575 1.00 0.00 N ATOM 261 CA ASN A 17 -1.850 -11.827 -10.740 1.00 0.00 C ATOM 262 C ASN A 17 -1.364 -12.482 -12.032 1.00 0.00 C ATOM 263 O ASN A 17 -2.090 -12.583 -13.001 1.00 0.00 O ATOM 264 CB ASN A 17 -1.482 -10.355 -10.736 1.00 0.00 C ATOM 265 CG ASN A 17 -1.486 -9.831 -9.298 1.00 0.00 C ATOM 266 OD1 ASN A 17 -2.045 -10.451 -8.416 1.00 0.00 O ATOM 267 ND2 ASN A 17 -0.880 -8.709 -9.023 1.00 0.00 N ATOM 0 H ASN A 17 -0.437 -11.973 -9.153 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.933 -11.932 -10.676 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.498 -10.214 -11.183 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.191 -9.791 -11.342 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.876 -8.353 -8.067 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.410 -8.188 -9.764 1.00 0.00 H new ATOM 274 N SER A 18 -0.140 -12.936 -12.054 1.00 0.00 N ATOM 275 CA SER A 18 0.387 -13.593 -13.280 1.00 0.00 C ATOM 276 C SER A 18 -0.030 -15.064 -13.281 1.00 0.00 C ATOM 277 O SER A 18 0.065 -15.748 -14.281 1.00 0.00 O ATOM 278 CB SER A 18 1.909 -13.483 -13.306 1.00 0.00 C ATOM 279 OG SER A 18 2.488 -14.763 -13.081 1.00 0.00 O ATOM 0 H SER A 18 0.516 -12.879 -11.275 1.00 0.00 H new ATOM 0 HA SER A 18 -0.019 -13.102 -14.164 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.238 -13.089 -14.267 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.245 -12.782 -12.542 1.00 0.00 H new ATOM 0 HG SER A 18 3.329 -14.660 -12.589 1.00 0.00 H new ATOM 285 N ALA A 19 -0.496 -15.553 -12.165 1.00 0.00 N ATOM 286 CA ALA A 19 -0.926 -16.977 -12.093 1.00 0.00 C ATOM 287 C ALA A 19 -2.452 -17.044 -12.082 1.00 0.00 C ATOM 288 O ALA A 19 -3.034 -18.103 -12.194 1.00 0.00 O ATOM 289 CB ALA A 19 -0.386 -17.612 -10.810 1.00 0.00 C ATOM 0 H ALA A 19 -0.598 -15.026 -11.298 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.539 -17.516 -12.958 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.702 -18.654 -10.759 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.703 -17.562 -10.810 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.774 -17.073 -9.946 1.00 0.00 H new ATOM 295 N ARG A 20 -3.106 -15.924 -11.939 1.00 0.00 N ATOM 296 CA ARG A 20 -4.596 -15.931 -11.915 1.00 0.00 C ATOM 297 C ARG A 20 -5.130 -16.477 -13.238 1.00 0.00 C ATOM 298 O ARG A 20 -6.286 -16.835 -13.350 1.00 0.00 O ATOM 299 CB ARG A 20 -5.111 -14.505 -11.704 1.00 0.00 C ATOM 300 CG ARG A 20 -6.241 -14.516 -10.670 1.00 0.00 C ATOM 301 CD ARG A 20 -5.814 -13.722 -9.434 1.00 0.00 C ATOM 302 NE ARG A 20 -7.023 -13.186 -8.749 1.00 0.00 N ATOM 303 CZ ARG A 20 -7.933 -12.552 -9.437 1.00 0.00 C ATOM 304 NH1 ARG A 20 -7.591 -11.854 -10.484 1.00 0.00 N ATOM 305 NH2 ARG A 20 -9.186 -12.616 -9.076 1.00 0.00 N ATOM 0 H ARG A 20 -2.674 -15.006 -11.838 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.940 -16.566 -11.099 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.300 -13.861 -11.365 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.471 -14.094 -12.647 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.144 -14.082 -11.099 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.482 -15.542 -10.390 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.251 -14.361 -8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.154 -12.904 -9.723 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.140 -13.314 -7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.612 -11.803 -10.766 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.303 -11.359 -11.021 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.453 -13.161 -8.257 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.898 -12.121 -9.613 1.00 0.00 H new ATOM 319 N GLU A 21 -4.302 -16.550 -14.243 1.00 0.00 N ATOM 320 CA GLU A 21 -4.773 -17.080 -15.550 1.00 0.00 C ATOM 321 C GLU A 21 -4.784 -18.605 -15.495 1.00 0.00 C ATOM 322 O GLU A 21 -5.826 -19.230 -15.517 1.00 0.00 O ATOM 323 CB GLU A 21 -3.840 -16.607 -16.664 1.00 0.00 C ATOM 324 CG GLU A 21 -4.270 -15.215 -17.129 1.00 0.00 C ATOM 325 CD GLU A 21 -4.526 -15.238 -18.636 1.00 0.00 C ATOM 326 OE1 GLU A 21 -4.869 -16.293 -19.142 1.00 0.00 O ATOM 327 OE2 GLU A 21 -4.375 -14.200 -19.258 1.00 0.00 O ATOM 0 H GLU A 21 -3.323 -16.266 -14.215 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.780 -16.715 -15.754 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.811 -16.581 -16.305 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.869 -17.307 -17.499 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.172 -14.906 -16.601 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.496 -14.485 -16.892 1.00 0.00 H new ATOM 334 N SER A 22 -3.635 -19.209 -15.405 1.00 0.00 N ATOM 335 CA SER A 22 -3.585 -20.694 -15.325 1.00 0.00 C ATOM 336 C SER A 22 -4.288 -21.138 -14.042 1.00 0.00 C ATOM 337 O SER A 22 -4.593 -22.299 -13.856 1.00 0.00 O ATOM 338 CB SER A 22 -2.129 -21.161 -15.303 1.00 0.00 C ATOM 339 OG SER A 22 -2.038 -22.377 -14.572 1.00 0.00 O ATOM 0 H SER A 22 -2.729 -18.740 -15.383 1.00 0.00 H new ATOM 0 HA SER A 22 -4.082 -21.130 -16.192 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.766 -21.307 -16.320 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.497 -20.400 -14.845 1.00 0.00 H new ATOM 0 HG SER A 22 -1.106 -22.681 -14.557 1.00 0.00 H new ATOM 345 N ILE A 23 -4.553 -20.213 -13.156 1.00 0.00 N ATOM 346 CA ILE A 23 -5.243 -20.565 -11.887 1.00 0.00 C ATOM 347 C ILE A 23 -6.747 -20.636 -12.146 1.00 0.00 C ATOM 348 O ILE A 23 -7.411 -21.577 -11.762 1.00 0.00 O ATOM 349 CB ILE A 23 -4.944 -19.484 -10.834 1.00 0.00 C ATOM 350 CG1 ILE A 23 -3.606 -19.792 -10.157 1.00 0.00 C ATOM 351 CG2 ILE A 23 -6.049 -19.453 -9.771 1.00 0.00 C ATOM 352 CD1 ILE A 23 -3.347 -18.768 -9.052 1.00 0.00 C ATOM 0 H ILE A 23 -4.319 -19.226 -13.261 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.891 -21.530 -11.521 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.899 -18.514 -11.329 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.621 -20.798 -9.739 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.800 -19.763 -10.890 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.823 -18.683 -9.033 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.005 -19.231 -10.246 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.106 -20.423 -9.277 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.394 -18.987 -8.569 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.314 -17.768 -9.483 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.148 -18.819 -8.314 1.00 0.00 H new ATOM 364 N LYS A 24 -7.294 -19.637 -12.784 1.00 0.00 N ATOM 365 CA LYS A 24 -8.750 -19.639 -13.048 1.00 0.00 C ATOM 366 C LYS A 24 -9.096 -20.738 -14.057 1.00 0.00 C ATOM 367 O LYS A 24 -10.187 -21.269 -14.062 1.00 0.00 O ATOM 368 CB LYS A 24 -9.131 -18.278 -13.620 1.00 0.00 C ATOM 369 CG LYS A 24 -9.360 -17.296 -12.473 1.00 0.00 C ATOM 370 CD LYS A 24 -9.978 -16.006 -13.017 1.00 0.00 C ATOM 371 CE LYS A 24 -9.708 -14.860 -12.040 1.00 0.00 C ATOM 372 NZ LYS A 24 -9.598 -13.580 -12.795 1.00 0.00 N ATOM 0 H LYS A 24 -6.790 -18.821 -13.132 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.298 -19.829 -12.125 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.341 -17.912 -14.275 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.033 -18.365 -14.226 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.019 -17.740 -11.727 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.416 -17.077 -11.975 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.556 -15.772 -13.994 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.051 -16.135 -13.156 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.513 -14.795 -11.308 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.788 -15.049 -11.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.414 -12.800 -12.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.816 -13.646 -13.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.487 -13.400 -13.304 1.00 0.00 H new ATOM 386 N ARG A 25 -8.175 -21.077 -14.915 1.00 0.00 N ATOM 387 CA ARG A 25 -8.452 -22.134 -15.928 1.00 0.00 C ATOM 388 C ARG A 25 -8.268 -23.517 -15.299 1.00 0.00 C ATOM 389 O ARG A 25 -9.221 -24.222 -15.036 1.00 0.00 O ATOM 390 CB ARG A 25 -7.483 -21.977 -17.103 1.00 0.00 C ATOM 391 CG ARG A 25 -7.970 -20.851 -18.021 1.00 0.00 C ATOM 392 CD ARG A 25 -7.085 -20.752 -19.266 1.00 0.00 C ATOM 393 NE ARG A 25 -5.862 -21.592 -19.108 1.00 0.00 N ATOM 394 CZ ARG A 25 -5.807 -22.773 -19.659 1.00 0.00 C ATOM 395 NH1 ARG A 25 -6.906 -23.377 -20.015 1.00 0.00 N ATOM 396 NH2 ARG A 25 -4.652 -23.351 -19.852 1.00 0.00 N ATOM 0 H ARG A 25 -7.242 -20.668 -14.959 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.478 -22.034 -16.281 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.482 -21.753 -16.735 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.416 -22.911 -17.660 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.003 -21.036 -18.316 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.957 -19.904 -17.482 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.645 -21.076 -20.143 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.800 -19.713 -19.435 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.069 -21.243 -18.569 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.808 -22.926 -19.863 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.864 -24.301 -20.446 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.792 -22.879 -19.572 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.610 -24.275 -20.283 1.00 0.00 H new ATOM 410 N GLU A 26 -7.048 -23.911 -15.063 1.00 0.00 N ATOM 411 CA GLU A 26 -6.795 -25.249 -14.459 1.00 0.00 C ATOM 412 C GLU A 26 -7.790 -25.503 -13.325 1.00 0.00 C ATOM 413 O GLU A 26 -8.193 -26.624 -13.082 1.00 0.00 O ATOM 414 CB GLU A 26 -5.370 -25.293 -13.901 1.00 0.00 C ATOM 415 CG GLU A 26 -4.369 -25.174 -15.050 1.00 0.00 C ATOM 416 CD GLU A 26 -4.176 -26.544 -15.701 1.00 0.00 C ATOM 417 OE1 GLU A 26 -4.959 -27.432 -15.409 1.00 0.00 O ATOM 418 OE2 GLU A 26 -3.249 -26.680 -16.483 1.00 0.00 O ATOM 0 H GLU A 26 -6.212 -23.362 -15.263 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.916 -26.017 -15.223 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.221 -24.481 -13.189 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.209 -26.225 -13.359 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.729 -24.456 -15.787 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.416 -24.798 -14.679 1.00 0.00 H new ATOM 425 N ASN A 27 -8.184 -24.476 -12.623 1.00 0.00 N ATOM 426 CA ASN A 27 -9.146 -24.670 -11.502 1.00 0.00 C ATOM 427 C ASN A 27 -10.579 -24.661 -12.034 1.00 0.00 C ATOM 428 O ASN A 27 -10.866 -24.049 -13.044 1.00 0.00 O ATOM 429 CB ASN A 27 -8.976 -23.548 -10.475 1.00 0.00 C ATOM 430 CG ASN A 27 -7.598 -23.660 -9.819 1.00 0.00 C ATOM 431 OD1 ASN A 27 -6.942 -24.677 -9.927 1.00 0.00 O ATOM 432 ND2 ASN A 27 -7.128 -22.651 -9.139 1.00 0.00 N ATOM 0 H ASN A 27 -7.882 -23.514 -12.777 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.946 -25.631 -11.027 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.082 -22.578 -10.960 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.757 -23.612 -9.718 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.210 -22.716 -8.698 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.678 -21.797 -9.048 1.00 0.00 H new ATOM 439 N PRO A 28 -11.437 -25.347 -11.324 1.00 0.00 N ATOM 440 CA PRO A 28 -12.861 -25.458 -11.672 1.00 0.00 C ATOM 441 C PRO A 28 -13.613 -24.185 -11.297 1.00 0.00 C ATOM 442 O PRO A 28 -14.356 -24.159 -10.336 1.00 0.00 O ATOM 443 CB PRO A 28 -13.349 -26.630 -10.838 1.00 0.00 C ATOM 444 CG PRO A 28 -12.362 -26.774 -9.675 1.00 0.00 C ATOM 445 CD PRO A 28 -11.062 -26.075 -10.100 1.00 0.00 C ATOM 0 HA PRO A 28 -13.021 -25.601 -12.741 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -14.359 -26.451 -10.470 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.384 -27.542 -11.433 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.765 -26.321 -8.769 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.180 -27.825 -9.452 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.701 -25.397 -9.326 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.265 -26.794 -10.291 1.00 0.00 H new ATOM 453 N GLY A 29 -13.423 -23.121 -12.033 1.00 0.00 N ATOM 454 CA GLY A 29 -14.126 -21.853 -11.687 1.00 0.00 C ATOM 455 C GLY A 29 -14.009 -21.646 -10.180 1.00 0.00 C ATOM 456 O GLY A 29 -14.861 -21.050 -9.551 1.00 0.00 O ATOM 0 H GLY A 29 -12.816 -23.076 -12.852 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.683 -21.013 -12.223 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.173 -21.904 -11.985 1.00 0.00 H new ATOM 460 N ILE A 30 -12.954 -22.161 -9.605 1.00 0.00 N ATOM 461 CA ILE A 30 -12.739 -22.040 -8.143 1.00 0.00 C ATOM 462 C ILE A 30 -13.239 -20.687 -7.633 1.00 0.00 C ATOM 463 O ILE A 30 -13.225 -19.700 -8.340 1.00 0.00 O ATOM 464 CB ILE A 30 -11.254 -22.179 -7.870 1.00 0.00 C ATOM 465 CG1 ILE A 30 -10.988 -22.092 -6.366 1.00 0.00 C ATOM 466 CG2 ILE A 30 -10.538 -21.052 -8.582 1.00 0.00 C ATOM 467 CD1 ILE A 30 -9.608 -22.676 -6.062 1.00 0.00 C ATOM 0 H ILE A 30 -12.222 -22.669 -10.101 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.296 -22.820 -7.624 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.895 -23.144 -8.229 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.037 -21.054 -6.036 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.755 -22.638 -5.817 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.466 -21.130 -8.401 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.731 -21.118 -9.653 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.901 -20.095 -8.206 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.415 -22.616 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.576 -23.719 -6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.847 -22.111 -6.600 1.00 0.00 H new ATOM 479 N LYS A 31 -13.685 -20.637 -6.407 1.00 0.00 N ATOM 480 CA LYS A 31 -14.191 -19.353 -5.846 1.00 0.00 C ATOM 481 C LYS A 31 -13.041 -18.350 -5.732 1.00 0.00 C ATOM 482 O LYS A 31 -11.896 -18.671 -5.984 1.00 0.00 O ATOM 483 CB LYS A 31 -14.785 -19.610 -4.462 1.00 0.00 C ATOM 484 CG LYS A 31 -16.295 -19.821 -4.586 1.00 0.00 C ATOM 485 CD LYS A 31 -16.577 -21.230 -5.113 1.00 0.00 C ATOM 486 CE LYS A 31 -18.078 -21.510 -5.037 1.00 0.00 C ATOM 487 NZ LYS A 31 -18.696 -21.282 -6.374 1.00 0.00 N ATOM 0 H LYS A 31 -13.721 -21.432 -5.769 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.957 -18.944 -6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.320 -20.487 -4.012 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.578 -18.767 -3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.772 -19.683 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.722 -19.078 -5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -16.231 -21.321 -6.142 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.028 -21.966 -4.526 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.251 -22.537 -4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.542 -20.861 -4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.717 -21.473 -6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.543 -20.295 -6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.260 -21.919 -7.071 1.00 0.00 H new ATOM 501 N VAL A 32 -13.338 -17.135 -5.359 1.00 0.00 N ATOM 502 CA VAL A 32 -12.278 -16.109 -5.230 1.00 0.00 C ATOM 503 C VAL A 32 -11.528 -16.313 -3.907 1.00 0.00 C ATOM 504 O VAL A 32 -10.395 -15.898 -3.757 1.00 0.00 O ATOM 505 CB VAL A 32 -12.916 -14.715 -5.290 1.00 0.00 C ATOM 506 CG1 VAL A 32 -14.303 -14.763 -4.680 1.00 0.00 C ATOM 507 CG2 VAL A 32 -12.073 -13.718 -4.509 1.00 0.00 C ATOM 0 H VAL A 32 -14.280 -16.812 -5.137 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.564 -16.201 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.976 -14.404 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -14.754 -13.772 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -14.921 -15.468 -5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -14.232 -15.084 -3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.536 -12.732 -4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.006 -14.035 -3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.073 -13.671 -4.940 1.00 0.00 H new ATOM 517 N THR A 33 -12.148 -16.946 -2.950 1.00 0.00 N ATOM 518 CA THR A 33 -11.466 -17.172 -1.643 1.00 0.00 C ATOM 519 C THR A 33 -10.581 -18.415 -1.739 1.00 0.00 C ATOM 520 O THR A 33 -9.572 -18.525 -1.072 1.00 0.00 O ATOM 521 CB THR A 33 -12.517 -17.377 -0.549 1.00 0.00 C ATOM 522 OG1 THR A 33 -13.764 -17.706 -1.147 1.00 0.00 O ATOM 523 CG2 THR A 33 -12.664 -16.094 0.269 1.00 0.00 C ATOM 0 H THR A 33 -13.096 -17.316 -3.015 1.00 0.00 H new ATOM 0 HA THR A 33 -10.851 -16.306 -1.399 1.00 0.00 H new ATOM 0 HB THR A 33 -12.203 -18.188 0.108 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.437 -17.839 -0.447 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.413 -16.242 1.047 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.708 -15.844 0.728 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.976 -15.280 -0.385 1.00 0.00 H new ATOM 531 N GLU A 34 -10.956 -19.355 -2.562 1.00 0.00 N ATOM 532 CA GLU A 34 -10.140 -20.592 -2.698 1.00 0.00 C ATOM 533 C GLU A 34 -8.989 -20.343 -3.677 1.00 0.00 C ATOM 534 O GLU A 34 -7.958 -20.983 -3.612 1.00 0.00 O ATOM 535 CB GLU A 34 -11.024 -21.727 -3.220 1.00 0.00 C ATOM 536 CG GLU A 34 -12.108 -22.041 -2.188 1.00 0.00 C ATOM 537 CD GLU A 34 -13.084 -23.068 -2.767 1.00 0.00 C ATOM 538 OE1 GLU A 34 -12.791 -23.603 -3.823 1.00 0.00 O ATOM 539 OE2 GLU A 34 -14.107 -23.300 -2.144 1.00 0.00 O ATOM 0 H GLU A 34 -11.792 -19.319 -3.145 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.731 -20.868 -1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.480 -21.441 -4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.421 -22.614 -3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.655 -22.429 -1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.641 -21.130 -1.917 1.00 0.00 H new ATOM 546 N VAL A 35 -9.153 -19.416 -4.581 1.00 0.00 N ATOM 547 CA VAL A 35 -8.065 -19.128 -5.554 1.00 0.00 C ATOM 548 C VAL A 35 -6.807 -18.709 -4.790 1.00 0.00 C ATOM 549 O VAL A 35 -5.697 -18.910 -5.242 1.00 0.00 O ATOM 550 CB VAL A 35 -8.508 -17.998 -6.480 1.00 0.00 C ATOM 551 CG1 VAL A 35 -7.297 -17.434 -7.230 1.00 0.00 C ATOM 552 CG2 VAL A 35 -9.525 -18.537 -7.486 1.00 0.00 C ATOM 0 H VAL A 35 -9.993 -18.847 -4.687 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.849 -20.017 -6.146 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.963 -17.204 -5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.620 -16.628 -7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.572 -17.048 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.836 -18.224 -7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.843 -17.732 -8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.068 -19.332 -8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.390 -18.931 -6.953 1.00 0.00 H new ATOM 562 N ALA A 36 -6.976 -18.127 -3.635 1.00 0.00 N ATOM 563 CA ALA A 36 -5.797 -17.694 -2.837 1.00 0.00 C ATOM 564 C ALA A 36 -5.260 -18.885 -2.040 1.00 0.00 C ATOM 565 O ALA A 36 -4.080 -18.984 -1.773 1.00 0.00 O ATOM 566 CB ALA A 36 -6.211 -16.576 -1.878 1.00 0.00 C ATOM 0 H ALA A 36 -7.882 -17.933 -3.209 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.019 -17.324 -3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.347 -16.259 -1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.593 -15.730 -2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.988 -16.941 -1.207 1.00 0.00 H new ATOM 572 N LYS A 37 -6.118 -19.795 -1.662 1.00 0.00 N ATOM 573 CA LYS A 37 -5.658 -20.979 -0.892 1.00 0.00 C ATOM 574 C LYS A 37 -4.610 -21.733 -1.716 1.00 0.00 C ATOM 575 O LYS A 37 -3.521 -22.009 -1.254 1.00 0.00 O ATOM 576 CB LYS A 37 -6.867 -21.868 -0.590 1.00 0.00 C ATOM 577 CG LYS A 37 -6.468 -23.349 -0.556 1.00 0.00 C ATOM 578 CD LYS A 37 -5.331 -23.552 0.447 1.00 0.00 C ATOM 579 CE LYS A 37 -5.717 -24.648 1.442 1.00 0.00 C ATOM 580 NZ LYS A 37 -4.680 -25.719 1.429 1.00 0.00 N ATOM 0 H LYS A 37 -7.119 -19.766 -1.855 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.202 -20.676 0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.302 -21.583 0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.635 -21.712 -1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.326 -23.961 -0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.154 -23.674 -1.548 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.415 -23.827 -0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.128 -22.621 0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.809 -24.228 2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.689 -25.065 1.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.942 -26.464 2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.613 -26.126 0.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.760 -25.315 1.698 1.00 0.00 H new ATOM 594 N ARG A 38 -4.932 -22.059 -2.935 1.00 0.00 N ATOM 595 CA ARG A 38 -3.961 -22.785 -3.796 1.00 0.00 C ATOM 596 C ARG A 38 -2.860 -21.821 -4.239 1.00 0.00 C ATOM 597 O ARG A 38 -1.775 -22.226 -4.608 1.00 0.00 O ATOM 598 CB ARG A 38 -4.687 -23.324 -5.027 1.00 0.00 C ATOM 599 CG ARG A 38 -4.374 -24.812 -5.193 1.00 0.00 C ATOM 600 CD ARG A 38 -5.156 -25.618 -4.155 1.00 0.00 C ATOM 601 NE ARG A 38 -6.333 -26.260 -4.804 1.00 0.00 N ATOM 602 CZ ARG A 38 -6.653 -27.488 -4.503 1.00 0.00 C ATOM 603 NH1 ARG A 38 -5.718 -28.386 -4.345 1.00 0.00 N ATOM 604 NH2 ARG A 38 -7.906 -27.820 -4.358 1.00 0.00 N ATOM 0 H ARG A 38 -5.830 -21.853 -3.373 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.520 -23.611 -3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.762 -23.177 -4.922 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.376 -22.775 -5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.639 -25.140 -6.198 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.305 -24.985 -5.073 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.513 -26.378 -3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.485 -24.966 -3.346 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.888 -25.740 -5.483 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.738 -28.127 -4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.968 -29.346 -4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.637 -27.119 -4.480 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.155 -28.781 -4.123 1.00 0.00 H new ATOM 618 N GLY A 39 -3.130 -20.545 -4.201 1.00 0.00 N ATOM 619 CA GLY A 39 -2.100 -19.553 -4.618 1.00 0.00 C ATOM 620 C GLY A 39 -1.032 -19.443 -3.530 1.00 0.00 C ATOM 621 O GLY A 39 0.056 -18.953 -3.762 1.00 0.00 O ATOM 0 H GLY A 39 -4.019 -20.147 -3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.645 -19.859 -5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.563 -18.581 -4.788 1.00 0.00 H new ATOM 625 N GLY A 40 -1.330 -19.901 -2.345 1.00 0.00 N ATOM 626 CA GLY A 40 -0.330 -19.826 -1.243 1.00 0.00 C ATOM 627 C GLY A 40 0.496 -21.112 -1.222 1.00 0.00 C ATOM 628 O GLY A 40 1.618 -21.134 -0.756 1.00 0.00 O ATOM 0 H GLY A 40 -2.223 -20.324 -2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.322 -18.964 -1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.835 -19.689 -0.287 1.00 0.00 H new ATOM 632 N GLU A 41 -0.049 -22.184 -1.727 1.00 0.00 N ATOM 633 CA GLU A 41 0.706 -23.466 -1.740 1.00 0.00 C ATOM 634 C GLU A 41 1.749 -23.428 -2.858 1.00 0.00 C ATOM 635 O GLU A 41 2.792 -24.045 -2.770 1.00 0.00 O ATOM 636 CB GLU A 41 -0.262 -24.628 -1.966 1.00 0.00 C ATOM 637 CG GLU A 41 -0.653 -24.708 -3.444 1.00 0.00 C ATOM 638 CD GLU A 41 0.169 -25.800 -4.131 1.00 0.00 C ATOM 639 OE1 GLU A 41 1.367 -25.618 -4.262 1.00 0.00 O ATOM 640 OE2 GLU A 41 -0.414 -26.802 -4.512 1.00 0.00 O ATOM 0 H GLU A 41 -0.985 -22.227 -2.131 1.00 0.00 H new ATOM 0 HA GLU A 41 1.210 -23.605 -0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.202 -25.564 -1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.153 -24.493 -1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.717 -24.925 -3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.479 -23.748 -3.930 1.00 0.00 H new ATOM 647 N LEU A 42 1.476 -22.705 -3.908 1.00 0.00 N ATOM 648 CA LEU A 42 2.445 -22.622 -5.030 1.00 0.00 C ATOM 649 C LEU A 42 3.471 -21.527 -4.733 1.00 0.00 C ATOM 650 O LEU A 42 4.658 -21.705 -4.927 1.00 0.00 O ATOM 651 CB LEU A 42 1.694 -22.287 -6.318 1.00 0.00 C ATOM 652 CG LEU A 42 1.118 -23.569 -6.918 1.00 0.00 C ATOM 653 CD1 LEU A 42 0.321 -23.230 -8.181 1.00 0.00 C ATOM 654 CD2 LEU A 42 2.263 -24.519 -7.278 1.00 0.00 C ATOM 0 H LEU A 42 0.619 -22.167 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 42 2.959 -23.576 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.893 -21.578 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.367 -21.809 -7.030 1.00 0.00 H new ATOM 0 HG LEU A 42 0.460 -24.047 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.090 -24.145 -8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.493 -22.551 -7.926 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.978 -22.752 -8.908 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.855 -25.435 -7.706 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.919 -24.039 -8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.831 -24.760 -6.380 1.00 0.00 H new ATOM 666 N TRP A 43 3.023 -20.395 -4.262 1.00 0.00 N ATOM 667 CA TRP A 43 3.972 -19.289 -3.950 1.00 0.00 C ATOM 668 C TRP A 43 4.958 -19.754 -2.881 1.00 0.00 C ATOM 669 O TRP A 43 5.976 -19.131 -2.649 1.00 0.00 O ATOM 670 CB TRP A 43 3.199 -18.080 -3.422 1.00 0.00 C ATOM 671 CG TRP A 43 4.166 -17.067 -2.895 1.00 0.00 C ATOM 672 CD1 TRP A 43 4.478 -16.893 -1.589 1.00 0.00 C ATOM 673 CD2 TRP A 43 4.956 -16.095 -3.637 1.00 0.00 C ATOM 674 NE1 TRP A 43 5.403 -15.869 -1.484 1.00 0.00 N ATOM 675 CE2 TRP A 43 5.731 -15.346 -2.720 1.00 0.00 C ATOM 676 CE3 TRP A 43 5.071 -15.791 -5.005 1.00 0.00 C ATOM 677 CZ2 TRP A 43 6.591 -14.332 -3.146 1.00 0.00 C ATOM 678 CZ3 TRP A 43 5.934 -14.772 -5.436 1.00 0.00 C ATOM 679 CH2 TRP A 43 6.692 -14.044 -4.509 1.00 0.00 C ATOM 0 H TRP A 43 2.041 -20.188 -4.080 1.00 0.00 H new ATOM 0 HA TRP A 43 4.510 -19.012 -4.856 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.595 -17.644 -4.218 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.512 -18.389 -2.634 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.072 -17.460 -0.765 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.795 -15.540 -0.601 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.492 -16.345 -5.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.174 -13.775 -2.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.015 -14.547 -6.489 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.354 -13.261 -4.848 1.00 0.00 H new ATOM 690 N ARG A 44 4.665 -20.839 -2.223 1.00 0.00 N ATOM 691 CA ARG A 44 5.585 -21.335 -1.170 1.00 0.00 C ATOM 692 C ARG A 44 6.971 -21.525 -1.779 1.00 0.00 C ATOM 693 O ARG A 44 7.923 -20.868 -1.406 1.00 0.00 O ATOM 694 CB ARG A 44 5.073 -22.674 -0.634 1.00 0.00 C ATOM 695 CG ARG A 44 4.664 -22.520 0.832 1.00 0.00 C ATOM 696 CD ARG A 44 4.341 -23.896 1.416 1.00 0.00 C ATOM 697 NE ARG A 44 5.415 -24.858 1.040 1.00 0.00 N ATOM 698 CZ ARG A 44 6.400 -25.093 1.864 1.00 0.00 C ATOM 699 NH1 ARG A 44 6.156 -25.579 3.049 1.00 0.00 N ATOM 700 NH2 ARG A 44 7.629 -24.840 1.502 1.00 0.00 N ATOM 0 H ARG A 44 3.828 -21.402 -2.370 1.00 0.00 H new ATOM 0 HA ARG A 44 5.635 -20.617 -0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.222 -23.012 -1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.848 -23.434 -0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.469 -22.052 1.398 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.796 -21.866 0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.258 -23.832 2.501 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.378 -24.245 1.043 1.00 0.00 H new ATOM 0 HE ARG A 44 5.381 -25.333 0.138 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.196 -25.775 3.332 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.925 -25.763 3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.819 -24.459 0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.398 -25.024 2.146 1.00 0.00 H new ATOM 714 N ALA A 45 7.087 -22.424 -2.714 1.00 0.00 N ATOM 715 CA ALA A 45 8.401 -22.668 -3.353 1.00 0.00 C ATOM 716 C ALA A 45 8.206 -22.964 -4.833 1.00 0.00 C ATOM 717 O ALA A 45 8.058 -24.097 -5.244 1.00 0.00 O ATOM 718 CB ALA A 45 9.038 -23.868 -2.702 1.00 0.00 C ATOM 0 H ALA A 45 6.322 -23.002 -3.063 1.00 0.00 H new ATOM 0 HA ALA A 45 9.032 -21.787 -3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.007 -24.060 -3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.174 -23.675 -1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 45 8.395 -24.738 -2.834 1.00 0.00 H new ATOM 724 N MET A 46 8.208 -21.950 -5.628 1.00 0.00 N ATOM 725 CA MET A 46 8.030 -22.130 -7.080 1.00 0.00 C ATOM 726 C MET A 46 9.410 -22.168 -7.749 1.00 0.00 C ATOM 727 O MET A 46 10.229 -23.012 -7.444 1.00 0.00 O ATOM 728 CB MET A 46 7.197 -20.962 -7.594 1.00 0.00 C ATOM 729 CG MET A 46 7.862 -19.655 -7.174 1.00 0.00 C ATOM 730 SD MET A 46 6.731 -18.702 -6.130 1.00 0.00 S ATOM 731 CE MET A 46 6.417 -17.357 -7.300 1.00 0.00 C ATOM 0 H MET A 46 8.328 -20.983 -5.328 1.00 0.00 H new ATOM 0 HA MET A 46 7.518 -23.064 -7.309 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.112 -21.009 -8.680 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.185 -21.016 -7.192 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.784 -19.863 -6.632 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.134 -19.075 -8.056 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.429 -16.936 -7.114 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.172 -16.581 -7.173 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.461 -17.743 -8.318 1.00 0.00 H new ATOM 741 N LYS A 47 9.681 -21.270 -8.653 1.00 0.00 N ATOM 742 CA LYS A 47 11.000 -21.261 -9.327 1.00 0.00 C ATOM 743 C LYS A 47 11.841 -20.108 -8.776 1.00 0.00 C ATOM 744 O LYS A 47 12.987 -20.279 -8.409 1.00 0.00 O ATOM 745 CB LYS A 47 10.773 -21.063 -10.820 1.00 0.00 C ATOM 746 CG LYS A 47 11.214 -22.318 -11.578 1.00 0.00 C ATOM 747 CD LYS A 47 12.736 -22.305 -11.745 1.00 0.00 C ATOM 748 CE LYS A 47 13.241 -23.733 -11.959 1.00 0.00 C ATOM 749 NZ LYS A 47 12.626 -24.298 -13.193 1.00 0.00 N ATOM 0 H LYS A 47 9.038 -20.538 -8.954 1.00 0.00 H new ATOM 0 HA LYS A 47 11.524 -22.200 -9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.720 -20.860 -11.014 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.334 -20.197 -11.172 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.905 -23.211 -11.035 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.731 -22.355 -12.554 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.014 -21.679 -12.593 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.205 -21.871 -10.862 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.327 -23.736 -12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.989 -24.352 -11.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.125 -25.170 -13.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.624 -24.514 -13.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.699 -23.605 -13.965 1.00 0.00 H new ATOM 763 N ASP A 48 11.275 -18.933 -8.710 1.00 0.00 N ATOM 764 CA ASP A 48 12.030 -17.763 -8.179 1.00 0.00 C ATOM 765 C ASP A 48 11.042 -16.747 -7.606 1.00 0.00 C ATOM 766 O ASP A 48 10.364 -16.051 -8.335 1.00 0.00 O ATOM 767 CB ASP A 48 12.826 -17.112 -9.314 1.00 0.00 C ATOM 768 CG ASP A 48 14.299 -17.508 -9.202 1.00 0.00 C ATOM 769 OD1 ASP A 48 14.569 -18.570 -8.667 1.00 0.00 O ATOM 770 OD2 ASP A 48 15.133 -16.740 -9.655 1.00 0.00 O ATOM 0 H ASP A 48 10.318 -18.733 -9.002 1.00 0.00 H new ATOM 0 HA ASP A 48 12.715 -18.092 -7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.427 -17.427 -10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 48 12.726 -16.028 -9.266 1.00 0.00 H new ATOM 775 N LYS A 49 10.947 -16.658 -6.307 1.00 0.00 N ATOM 776 CA LYS A 49 9.993 -15.686 -5.704 1.00 0.00 C ATOM 777 C LYS A 49 10.614 -14.283 -5.738 1.00 0.00 C ATOM 778 O LYS A 49 9.923 -13.292 -5.878 1.00 0.00 O ATOM 779 CB LYS A 49 9.668 -16.114 -4.257 1.00 0.00 C ATOM 780 CG LYS A 49 10.482 -15.297 -3.246 1.00 0.00 C ATOM 781 CD LYS A 49 10.190 -15.796 -1.830 1.00 0.00 C ATOM 782 CE LYS A 49 10.069 -14.600 -0.884 1.00 0.00 C ATOM 783 NZ LYS A 49 8.657 -14.471 -0.425 1.00 0.00 N ATOM 0 H LYS A 49 11.485 -17.213 -5.641 1.00 0.00 H new ATOM 0 HA LYS A 49 9.063 -15.669 -6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.603 -15.980 -4.065 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.884 -17.175 -4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.546 -15.388 -3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.229 -14.240 -3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.267 -16.376 -1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.987 -16.459 -1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.730 -14.732 -0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.382 -13.688 -1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.469 -13.485 -0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.015 -14.748 -1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.501 -15.091 0.395 1.00 0.00 H new ATOM 797 N SER A 50 11.911 -14.194 -5.618 1.00 0.00 N ATOM 798 CA SER A 50 12.570 -12.858 -5.650 1.00 0.00 C ATOM 799 C SER A 50 12.258 -12.181 -6.986 1.00 0.00 C ATOM 800 O SER A 50 12.436 -10.991 -7.147 1.00 0.00 O ATOM 801 CB SER A 50 14.083 -13.029 -5.496 1.00 0.00 C ATOM 802 OG SER A 50 14.575 -12.057 -4.581 1.00 0.00 O ATOM 0 H SER A 50 12.541 -14.987 -5.499 1.00 0.00 H new ATOM 0 HA SER A 50 12.197 -12.242 -4.832 1.00 0.00 H new ATOM 0 HB2 SER A 50 14.313 -14.032 -5.137 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.574 -12.916 -6.463 1.00 0.00 H new ATOM 0 HG SER A 50 14.001 -12.035 -3.787 1.00 0.00 H new ATOM 808 N GLU A 51 11.783 -12.931 -7.942 1.00 0.00 N ATOM 809 CA GLU A 51 11.445 -12.334 -9.262 1.00 0.00 C ATOM 810 C GLU A 51 10.502 -11.152 -9.049 1.00 0.00 C ATOM 811 O GLU A 51 10.781 -10.032 -9.429 1.00 0.00 O ATOM 812 CB GLU A 51 10.767 -13.385 -10.119 1.00 0.00 C ATOM 813 CG GLU A 51 10.003 -12.721 -11.270 1.00 0.00 C ATOM 814 CD GLU A 51 9.884 -13.701 -12.438 1.00 0.00 C ATOM 815 OE1 GLU A 51 10.852 -14.395 -12.704 1.00 0.00 O ATOM 816 OE2 GLU A 51 8.829 -13.740 -13.048 1.00 0.00 O ATOM 0 H GLU A 51 11.614 -13.934 -7.864 1.00 0.00 H new ATOM 0 HA GLU A 51 12.350 -11.988 -9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.511 -14.075 -10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.081 -13.974 -9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.011 -12.417 -10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.522 -11.818 -11.591 1.00 0.00 H new ATOM 823 N TRP A 52 9.386 -11.410 -8.436 1.00 0.00 N ATOM 824 CA TRP A 52 8.395 -10.336 -8.173 1.00 0.00 C ATOM 825 C TRP A 52 8.940 -9.412 -7.103 1.00 0.00 C ATOM 826 O TRP A 52 8.588 -8.259 -7.031 1.00 0.00 O ATOM 827 CB TRP A 52 7.116 -10.966 -7.661 1.00 0.00 C ATOM 828 CG TRP A 52 6.806 -12.151 -8.475 1.00 0.00 C ATOM 829 CD1 TRP A 52 7.175 -13.388 -8.161 1.00 0.00 C ATOM 830 CD2 TRP A 52 6.077 -12.229 -9.719 1.00 0.00 C ATOM 831 NE1 TRP A 52 6.706 -14.254 -9.130 1.00 0.00 N ATOM 832 CE2 TRP A 52 6.014 -13.578 -10.120 1.00 0.00 C ATOM 833 CE3 TRP A 52 5.465 -11.264 -10.524 1.00 0.00 C ATOM 834 CZ2 TRP A 52 5.356 -13.960 -11.291 1.00 0.00 C ATOM 835 CZ3 TRP A 52 4.805 -11.632 -11.695 1.00 0.00 C ATOM 836 CH2 TRP A 52 4.745 -12.980 -12.082 1.00 0.00 C ATOM 0 H TRP A 52 9.114 -12.334 -8.101 1.00 0.00 H new ATOM 0 HA TRP A 52 8.202 -9.777 -9.089 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.228 -11.247 -6.614 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.297 -10.249 -7.712 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.748 -13.671 -7.290 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.851 -15.264 -9.117 1.00 0.00 H new ATOM 0 HE3 TRP A 52 5.504 -10.224 -10.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.319 -14.999 -11.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.337 -10.876 -12.308 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.229 -13.260 -12.988 1.00 0.00 H new ATOM 847 N GLU A 53 9.781 -9.920 -6.258 1.00 0.00 N ATOM 848 CA GLU A 53 10.344 -9.060 -5.178 1.00 0.00 C ATOM 849 C GLU A 53 11.084 -7.877 -5.807 1.00 0.00 C ATOM 850 O GLU A 53 10.630 -6.751 -5.754 1.00 0.00 O ATOM 851 CB GLU A 53 11.309 -9.880 -4.318 1.00 0.00 C ATOM 852 CG GLU A 53 10.526 -10.945 -3.550 1.00 0.00 C ATOM 853 CD GLU A 53 11.378 -11.470 -2.393 1.00 0.00 C ATOM 854 OE1 GLU A 53 12.195 -12.345 -2.632 1.00 0.00 O ATOM 855 OE2 GLU A 53 11.199 -10.989 -1.285 1.00 0.00 O ATOM 0 H GLU A 53 10.105 -10.887 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 53 9.536 -8.687 -4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.064 -10.351 -4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.837 -9.228 -3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.596 -10.523 -3.169 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.255 -11.764 -4.217 1.00 0.00 H new ATOM 862 N ALA A 54 12.219 -8.118 -6.401 1.00 0.00 N ATOM 863 CA ALA A 54 12.982 -7.002 -7.030 1.00 0.00 C ATOM 864 C ALA A 54 12.094 -6.286 -8.054 1.00 0.00 C ATOM 865 O ALA A 54 12.214 -5.097 -8.273 1.00 0.00 O ATOM 866 CB ALA A 54 14.219 -7.565 -7.731 1.00 0.00 C ATOM 0 H ALA A 54 12.652 -9.038 -6.479 1.00 0.00 H new ATOM 0 HA ALA A 54 13.290 -6.293 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.778 -6.751 -8.192 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.851 -8.072 -7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.911 -8.274 -8.500 1.00 0.00 H new ATOM 872 N LYS A 55 11.203 -7.004 -8.680 1.00 0.00 N ATOM 873 CA LYS A 55 10.302 -6.374 -9.689 1.00 0.00 C ATOM 874 C LYS A 55 9.403 -5.346 -9.007 1.00 0.00 C ATOM 875 O LYS A 55 9.093 -4.308 -9.557 1.00 0.00 O ATOM 876 CB LYS A 55 9.421 -7.452 -10.314 1.00 0.00 C ATOM 877 CG LYS A 55 10.042 -7.930 -11.628 1.00 0.00 C ATOM 878 CD LYS A 55 9.072 -7.659 -12.781 1.00 0.00 C ATOM 879 CE LYS A 55 8.566 -6.218 -12.696 1.00 0.00 C ATOM 880 NZ LYS A 55 7.085 -6.220 -12.526 1.00 0.00 N ATOM 0 H LYS A 55 11.059 -8.003 -8.536 1.00 0.00 H new ATOM 0 HA LYS A 55 10.905 -5.886 -10.454 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.313 -8.290 -9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.421 -7.058 -10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.986 -7.415 -11.805 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.266 -8.995 -11.570 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.571 -7.825 -13.736 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.233 -8.353 -12.735 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.038 -5.704 -11.858 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.838 -5.672 -13.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.788 -5.340 -12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.629 -6.288 -13.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.804 -7.034 -11.943 1.00 0.00 H new ATOM 894 N ALA A 56 8.975 -5.639 -7.815 1.00 0.00 N ATOM 895 CA ALA A 56 8.085 -4.699 -7.082 1.00 0.00 C ATOM 896 C ALA A 56 8.860 -3.422 -6.756 1.00 0.00 C ATOM 897 O ALA A 56 8.348 -2.324 -6.860 1.00 0.00 O ATOM 898 CB ALA A 56 7.618 -5.354 -5.781 1.00 0.00 C ATOM 0 H ALA A 56 9.205 -6.496 -7.312 1.00 0.00 H new ATOM 0 HA ALA A 56 7.220 -4.456 -7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.966 -4.667 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.072 -6.269 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.483 -5.593 -5.163 1.00 0.00 H new ATOM 904 N ALA A 57 10.097 -3.563 -6.361 1.00 0.00 N ATOM 905 CA ALA A 57 10.921 -2.369 -6.023 1.00 0.00 C ATOM 906 C ALA A 57 10.820 -1.339 -7.148 1.00 0.00 C ATOM 907 O ALA A 57 10.619 -0.164 -6.911 1.00 0.00 O ATOM 908 CB ALA A 57 12.379 -2.797 -5.860 1.00 0.00 C ATOM 0 H ALA A 57 10.573 -4.459 -6.258 1.00 0.00 H new ATOM 0 HA ALA A 57 10.558 -1.927 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.988 -1.928 -5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.455 -3.533 -5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.736 -3.236 -6.792 1.00 0.00 H new ATOM 914 N LYS A 58 10.965 -1.770 -8.369 1.00 0.00 N ATOM 915 CA LYS A 58 10.883 -0.814 -9.510 1.00 0.00 C ATOM 916 C LYS A 58 9.630 0.054 -9.362 1.00 0.00 C ATOM 917 O LYS A 58 9.704 1.266 -9.379 1.00 0.00 O ATOM 918 CB LYS A 58 10.822 -1.589 -10.829 1.00 0.00 C ATOM 919 CG LYS A 58 11.300 -0.689 -11.973 1.00 0.00 C ATOM 920 CD LYS A 58 12.816 -0.836 -12.142 1.00 0.00 C ATOM 921 CE LYS A 58 13.132 -1.296 -13.567 1.00 0.00 C ATOM 922 NZ LYS A 58 14.539 -1.785 -13.631 1.00 0.00 N ATOM 0 H LYS A 58 11.137 -2.742 -8.627 1.00 0.00 H new ATOM 0 HA LYS A 58 11.766 -0.175 -9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.446 -2.481 -10.768 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.803 -1.926 -11.018 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.793 -0.960 -12.899 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.046 0.350 -11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 58 13.309 0.115 -11.938 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.204 -1.557 -11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.446 -2.089 -13.865 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.990 -0.472 -14.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.754 -2.098 -14.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.186 -1.016 -13.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.659 -2.583 -12.975 1.00 0.00 H new ATOM 936 N ALA A 59 8.479 -0.549 -9.214 1.00 0.00 N ATOM 937 CA ALA A 59 7.239 0.267 -9.063 1.00 0.00 C ATOM 938 C ALA A 59 7.386 1.176 -7.852 1.00 0.00 C ATOM 939 O ALA A 59 6.850 2.253 -7.818 1.00 0.00 O ATOM 940 CB ALA A 59 6.023 -0.640 -8.847 1.00 0.00 C ATOM 0 H ALA A 59 8.345 -1.560 -9.191 1.00 0.00 H new ATOM 0 HA ALA A 59 7.094 0.854 -9.970 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.127 -0.028 -8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.908 -1.304 -9.704 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.168 -1.234 -7.945 1.00 0.00 H new ATOM 946 N LYS A 60 8.106 0.742 -6.857 1.00 0.00 N ATOM 947 CA LYS A 60 8.289 1.561 -5.639 1.00 0.00 C ATOM 948 C LYS A 60 8.958 2.879 -5.992 1.00 0.00 C ATOM 949 O LYS A 60 8.583 3.925 -5.515 1.00 0.00 O ATOM 950 CB LYS A 60 9.189 0.785 -4.697 1.00 0.00 C ATOM 951 CG LYS A 60 8.519 0.649 -3.327 1.00 0.00 C ATOM 952 CD LYS A 60 9.271 -0.388 -2.490 1.00 0.00 C ATOM 953 CE LYS A 60 8.443 -0.742 -1.253 1.00 0.00 C ATOM 954 NZ LYS A 60 9.345 -0.897 -0.076 1.00 0.00 N ATOM 0 H LYS A 60 8.581 -0.161 -6.841 1.00 0.00 H new ATOM 0 HA LYS A 60 7.324 1.771 -5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.396 -0.202 -5.109 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.147 1.295 -4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.516 1.611 -2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.478 0.349 -3.448 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.459 -1.283 -3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.242 0.006 -2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.707 0.039 -1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.890 -1.666 -1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.781 -1.138 0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.031 -1.656 -0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.853 -0.005 0.092 1.00 0.00 H new ATOM 968 N ASP A 61 9.962 2.831 -6.810 1.00 0.00 N ATOM 969 CA ASP A 61 10.667 4.090 -7.184 1.00 0.00 C ATOM 970 C ASP A 61 9.784 4.916 -8.124 1.00 0.00 C ATOM 971 O ASP A 61 9.653 6.115 -7.972 1.00 0.00 O ATOM 972 CB ASP A 61 11.989 3.749 -7.875 1.00 0.00 C ATOM 973 CG ASP A 61 13.143 3.925 -6.888 1.00 0.00 C ATOM 974 OD1 ASP A 61 13.395 3.002 -6.132 1.00 0.00 O ATOM 975 OD2 ASP A 61 13.751 4.982 -6.901 1.00 0.00 O ATOM 0 H ASP A 61 10.329 1.981 -7.238 1.00 0.00 H new ATOM 0 HA ASP A 61 10.872 4.672 -6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.965 2.723 -8.243 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.136 4.395 -8.741 1.00 0.00 H new ATOM 980 N ASP A 62 9.175 4.287 -9.090 1.00 0.00 N ATOM 981 CA ASP A 62 8.296 5.033 -10.036 1.00 0.00 C ATOM 982 C ASP A 62 6.956 5.342 -9.360 1.00 0.00 C ATOM 983 O ASP A 62 6.124 6.047 -9.893 1.00 0.00 O ATOM 984 CB ASP A 62 8.040 4.159 -11.261 1.00 0.00 C ATOM 985 CG ASP A 62 9.120 4.425 -12.313 1.00 0.00 C ATOM 986 OD1 ASP A 62 10.266 4.586 -11.928 1.00 0.00 O ATOM 987 OD2 ASP A 62 8.781 4.465 -13.485 1.00 0.00 O ATOM 0 H ASP A 62 9.248 3.285 -9.266 1.00 0.00 H new ATOM 0 HA ASP A 62 8.780 5.965 -10.328 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.045 3.107 -10.977 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.054 4.373 -11.674 1.00 0.00 H new ATOM 992 N TYR A 63 6.741 4.793 -8.201 1.00 0.00 N ATOM 993 CA TYR A 63 5.459 5.010 -7.480 1.00 0.00 C ATOM 994 C TYR A 63 5.599 6.146 -6.463 1.00 0.00 C ATOM 995 O TYR A 63 4.726 6.976 -6.328 1.00 0.00 O ATOM 996 CB TYR A 63 5.116 3.716 -6.764 1.00 0.00 C ATOM 997 CG TYR A 63 4.056 3.955 -5.742 1.00 0.00 C ATOM 998 CD1 TYR A 63 2.758 4.273 -6.136 1.00 0.00 C ATOM 999 CD2 TYR A 63 4.376 3.829 -4.398 1.00 0.00 C ATOM 1000 CE1 TYR A 63 1.772 4.474 -5.171 1.00 0.00 C ATOM 1001 CE2 TYR A 63 3.395 4.019 -3.427 1.00 0.00 C ATOM 1002 CZ TYR A 63 2.087 4.346 -3.811 1.00 0.00 C ATOM 1003 OH TYR A 63 1.113 4.535 -2.853 1.00 0.00 O ATOM 0 H TYR A 63 7.409 4.194 -7.715 1.00 0.00 H new ATOM 0 HA TYR A 63 4.673 5.287 -8.183 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.775 2.973 -7.485 1.00 0.00 H new ATOM 0 HB3 TYR A 63 6.007 3.310 -6.285 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.517 4.363 -7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.386 3.584 -4.104 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.766 4.728 -5.471 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.642 3.915 -2.381 1.00 0.00 H new ATOM 0 HH TYR A 63 1.501 4.407 -1.962 1.00 0.00 H new ATOM 1013 N ASP A 64 6.687 6.186 -5.745 1.00 0.00 N ATOM 1014 CA ASP A 64 6.879 7.262 -4.740 1.00 0.00 C ATOM 1015 C ASP A 64 7.107 8.576 -5.467 1.00 0.00 C ATOM 1016 O ASP A 64 6.686 9.631 -5.034 1.00 0.00 O ATOM 1017 CB ASP A 64 8.093 6.937 -3.895 1.00 0.00 C ATOM 1018 CG ASP A 64 8.002 7.666 -2.552 1.00 0.00 C ATOM 1019 OD1 ASP A 64 7.687 8.845 -2.562 1.00 0.00 O ATOM 1020 OD2 ASP A 64 8.248 7.033 -1.539 1.00 0.00 O ATOM 0 H ASP A 64 7.453 5.516 -5.813 1.00 0.00 H new ATOM 0 HA ASP A 64 6.000 7.341 -4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.156 5.861 -3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.002 7.233 -4.419 1.00 0.00 H new ATOM 1025 N ARG A 65 7.784 8.510 -6.573 1.00 0.00 N ATOM 1026 CA ARG A 65 8.067 9.740 -7.352 1.00 0.00 C ATOM 1027 C ARG A 65 6.845 10.126 -8.191 1.00 0.00 C ATOM 1028 O ARG A 65 6.547 11.290 -8.374 1.00 0.00 O ATOM 1029 CB ARG A 65 9.253 9.478 -8.279 1.00 0.00 C ATOM 1030 CG ARG A 65 9.889 10.805 -8.694 1.00 0.00 C ATOM 1031 CD ARG A 65 11.169 10.529 -9.484 1.00 0.00 C ATOM 1032 NE ARG A 65 12.350 10.709 -8.595 1.00 0.00 N ATOM 1033 CZ ARG A 65 13.399 9.948 -8.746 1.00 0.00 C ATOM 1034 NH1 ARG A 65 14.154 10.081 -9.802 1.00 0.00 N ATOM 1035 NH2 ARG A 65 13.694 9.053 -7.842 1.00 0.00 N ATOM 0 H ARG A 65 8.157 7.649 -6.974 1.00 0.00 H new ATOM 0 HA ARG A 65 8.298 10.555 -6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.990 8.853 -7.774 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.922 8.931 -9.162 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.191 11.381 -9.301 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.115 11.404 -7.812 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.152 9.515 -9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.236 11.205 -10.336 1.00 0.00 H new ATOM 0 HE ARG A 65 12.339 11.426 -7.869 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.924 10.780 -10.509 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.974 9.486 -9.921 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.104 8.948 -7.017 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.514 8.459 -7.961 1.00 0.00 H new