USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 SER OG : rot -129:sc= -0.418! USER MOD Set 1.2: A 55 SER OG : rot 180:sc= 1.07 USER MOD Set 2.1: A 20 GLN : amide:sc= -0.0741! K(o=0.82!,f=-0.12) USER MOD Set 2.2: A 90 TYR OH : rot -63:sc= 0.893 USER MOD Set 3.1: A 14 HIS : no HD1:sc= -0.697 K(o=-4.3,f=-28!) USER MOD Set 3.2: A 49 SER OG : rot -98:sc= -2.12! USER MOD Set 3.3: A 86 SER OG : rot -162:sc= 1.08 USER MOD Set 3.4: A 91 HIS : no HE2:sc= -2.55! C(o=-4.3!,f=-27!) USER MOD Set 4.1: A 11 LYS NZ :NH3+ 134:sc= 0.738 (180deg=-0.275!) USER MOD Set 4.2: A 58 TYR OH : rot 165:sc= -0.0257 USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= -0.078 (180deg=-0.502) USER MOD Single : A 12 CYS SG : rot -121:sc= -9.51! USER MOD Single : A 18 LYS NZ :NH3+ -107:sc= -1.41 (180deg=-4.16!) USER MOD Single : A 19 LYS NZ :NH3+ 158:sc= -0.0717 (180deg=-0.701) USER MOD Single : A 27 GLN : amide:sc= -0.718 K(o=-0.72,f=-5.2!) USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= 0.723 (180deg=-1.08!) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= -0.147 (180deg=-0.31) USER MOD Single : A 38 LYS NZ :NH3+ -146:sc= 1.38 (180deg=-0.397!) USER MOD Single : A 41 LYS NZ :NH3+ -149:sc= 1.73! (180deg=-0.367!) USER MOD Single : A 44 SER OG : rot -151:sc= -4.27! USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= -0.338 (180deg=-0.916) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= -0.736 (180deg=-0.982) USER MOD Single : A 64 MET CE :methyl -135:sc= -4.6! (180deg=-6.64!) USER MOD Single : A 66 LYS NZ :NH3+ 154:sc= -1.23! (180deg=-2.07!) USER MOD Single : A 76 GLN : amide:sc= 0.941 K(o=0.94,f=-0.071) USER MOD Single : A 81 SER OG : rot 87:sc= -0.638! USER MOD Single : A 85 LYS NZ :NH3+ 152:sc= 0.305 (180deg=-0.498!) USER MOD Single : A 94 LYS NZ :NH3+ -146:sc= 0.787 (180deg=-0.891!) USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 9 -11.521 9.225 0.340 1.00 0.00 N ATOM 97 CA LYS A 9 -10.466 8.454 0.929 1.00 0.00 C ATOM 98 C LYS A 9 -10.269 7.190 0.121 1.00 0.00 C ATOM 99 O LYS A 9 -11.162 6.770 -0.614 1.00 0.00 O ATOM 100 CB LYS A 9 -10.796 8.129 2.381 1.00 0.00 C ATOM 101 CG LYS A 9 -10.865 9.436 3.180 1.00 0.00 C ATOM 102 CD LYS A 9 -11.191 9.130 4.643 1.00 0.00 C ATOM 103 CE LYS A 9 -11.404 10.442 5.406 1.00 0.00 C ATOM 104 NZ LYS A 9 -10.205 11.308 5.260 1.00 0.00 N ATOM 0 HA LYS A 9 -9.540 9.029 0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.747 7.600 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.037 7.470 2.802 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.915 9.965 3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.626 10.092 2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.086 8.512 4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.379 8.561 5.096 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.285 10.957 5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.588 10.235 6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.221 12.049 5.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.346 10.732 5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.208 11.750 4.318 1.00 0.00 H new ATOM 118 N ILE A 10 -9.108 6.603 0.233 1.00 0.00 N ATOM 119 CA ILE A 10 -8.782 5.416 -0.528 1.00 0.00 C ATOM 120 C ILE A 10 -8.786 4.229 0.377 1.00 0.00 C ATOM 121 O ILE A 10 -8.137 4.246 1.415 1.00 0.00 O ATOM 122 CB ILE A 10 -7.389 5.543 -1.175 1.00 0.00 C ATOM 123 CG1 ILE A 10 -7.334 6.770 -2.080 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.085 4.292 -2.016 1.00 0.00 C ATOM 125 CD1 ILE A 10 -8.324 6.594 -3.240 1.00 0.00 C ATOM 0 H ILE A 10 -8.362 6.927 0.849 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.528 5.298 -1.314 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.650 5.644 -0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.580 7.666 -1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.324 6.905 -2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.099 4.390 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.104 3.410 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.836 4.189 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.286 7.470 -3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.058 5.707 -3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.333 6.480 -2.843 1.00 0.00 H new ATOM 137 N LYS A 11 -9.456 3.180 -0.049 1.00 0.00 N ATOM 138 CA LYS A 11 -9.431 1.937 0.673 1.00 0.00 C ATOM 139 C LYS A 11 -8.247 1.153 0.167 1.00 0.00 C ATOM 140 O LYS A 11 -8.271 0.676 -0.962 1.00 0.00 O ATOM 141 CB LYS A 11 -10.688 1.129 0.358 1.00 0.00 C ATOM 142 CG LYS A 11 -11.942 1.867 0.824 1.00 0.00 C ATOM 143 CD LYS A 11 -13.178 1.107 0.291 1.00 0.00 C ATOM 144 CE LYS A 11 -13.410 -0.179 1.116 1.00 0.00 C ATOM 145 NZ LYS A 11 -14.587 -0.912 0.583 1.00 0.00 N ATOM 0 H LYS A 11 -10.025 3.169 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.374 2.126 1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.747 0.945 -0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.631 0.156 0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.969 1.920 1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.938 2.893 0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.059 1.747 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.033 0.853 -0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.525 -0.814 1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.571 0.074 2.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.356 -1.922 0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.391 -0.797 1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.839 -0.531 -0.351 1.00 0.00 H new ATOM 159 N CYS A 12 -7.191 1.065 0.946 1.00 0.00 N ATOM 160 CA CYS A 12 -6.003 0.364 0.475 1.00 0.00 C ATOM 161 C CYS A 12 -5.233 -0.310 1.583 1.00 0.00 C ATOM 162 O CYS A 12 -5.441 -0.041 2.774 1.00 0.00 O ATOM 163 CB CYS A 12 -5.089 1.297 -0.344 1.00 0.00 C ATOM 164 SG CYS A 12 -3.486 1.495 0.478 1.00 0.00 S ATOM 0 H CYS A 12 -7.123 1.457 1.885 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.361 -0.431 -0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.944 0.888 -1.344 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.566 2.270 -0.464 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.283 2.753 0.736 1.00 0.00 H new ATOM 170 N SER A 13 -4.308 -1.142 1.167 1.00 0.00 N ATOM 171 CA SER A 13 -3.403 -1.832 2.045 1.00 0.00 C ATOM 172 C SER A 13 -1.996 -1.652 1.516 1.00 0.00 C ATOM 173 O SER A 13 -1.775 -1.752 0.308 1.00 0.00 O ATOM 174 CB SER A 13 -3.765 -3.320 2.116 1.00 0.00 C ATOM 175 OG SER A 13 -5.186 -3.464 2.274 1.00 0.00 O ATOM 0 H SER A 13 -4.163 -1.361 0.181 1.00 0.00 H new ATOM 0 HA SER A 13 -3.473 -1.422 3.053 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.437 -3.828 1.209 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.247 -3.791 2.951 1.00 0.00 H new ATOM 0 HG SER A 13 -5.372 -4.063 3.027 1.00 0.00 H new ATOM 181 N HIS A 14 -1.061 -1.303 2.391 1.00 0.00 N ATOM 182 CA HIS A 14 0.296 -1.041 1.944 1.00 0.00 C ATOM 183 C HIS A 14 1.323 -1.892 2.675 1.00 0.00 C ATOM 184 O HIS A 14 1.150 -2.236 3.849 1.00 0.00 O ATOM 185 CB HIS A 14 0.628 0.469 2.046 1.00 0.00 C ATOM 186 CG HIS A 14 1.435 0.773 3.289 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.669 1.401 3.233 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.194 0.548 4.624 1.00 0.00 C ATOM 189 CE1 HIS A 14 3.125 1.526 4.495 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.263 1.023 5.383 1.00 0.00 N ATOM 0 H HIS A 14 -1.215 -1.197 3.394 1.00 0.00 H new ATOM 0 HA HIS A 14 0.351 -1.329 0.894 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.185 0.781 1.163 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.296 1.046 2.060 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.310 0.075 5.024 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.071 1.977 4.756 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.365 0.993 6.397 1.00 0.00 H new ATOM 198 N ILE A 15 2.394 -2.193 1.973 1.00 0.00 N ATOM 199 CA ILE A 15 3.514 -2.948 2.493 1.00 0.00 C ATOM 200 C ILE A 15 4.779 -2.129 2.276 1.00 0.00 C ATOM 201 O ILE A 15 4.996 -1.600 1.180 1.00 0.00 O ATOM 202 CB ILE A 15 3.596 -4.306 1.767 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.335 -5.108 2.084 1.00 0.00 C ATOM 204 CG2 ILE A 15 4.818 -5.095 2.247 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.230 -6.318 1.157 1.00 0.00 C ATOM 0 H ILE A 15 2.513 -1.912 1.000 1.00 0.00 H new ATOM 0 HA ILE A 15 3.393 -3.144 3.558 1.00 0.00 H new ATOM 0 HB ILE A 15 3.683 -4.134 0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.357 -5.438 3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.455 -4.475 1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.862 -6.051 1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.724 -4.526 2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.739 -5.271 3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.327 -6.881 1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.186 -5.980 0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.102 -6.958 1.293 1.00 0.00 H new ATOM 217 N LEU A 16 5.554 -1.939 3.333 1.00 0.00 N ATOM 218 CA LEU A 16 6.742 -1.089 3.274 1.00 0.00 C ATOM 219 C LEU A 16 8.000 -1.938 3.208 1.00 0.00 C ATOM 220 O LEU A 16 8.203 -2.823 4.051 1.00 0.00 O ATOM 221 CB LEU A 16 6.791 -0.179 4.511 1.00 0.00 C ATOM 222 CG LEU A 16 7.960 0.821 4.416 1.00 0.00 C ATOM 223 CD1 LEU A 16 7.773 1.746 3.209 1.00 0.00 C ATOM 224 CD2 LEU A 16 8.001 1.671 5.688 1.00 0.00 C ATOM 0 H LEU A 16 5.384 -2.361 4.246 1.00 0.00 H new ATOM 0 HA LEU A 16 6.689 -0.475 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.850 0.364 4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.900 -0.786 5.410 1.00 0.00 H new ATOM 0 HG LEU A 16 8.890 0.265 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.606 2.447 3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.739 1.151 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.840 2.299 3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.827 2.380 5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.062 2.215 5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.143 1.024 6.554 1.00 0.00 H new ATOM 236 N VAL A 17 8.847 -1.643 2.231 1.00 0.00 N ATOM 237 CA VAL A 17 10.096 -2.353 2.040 1.00 0.00 C ATOM 238 C VAL A 17 11.259 -1.379 1.921 1.00 0.00 C ATOM 239 O VAL A 17 11.094 -0.239 1.466 1.00 0.00 O ATOM 240 CB VAL A 17 10.024 -3.228 0.777 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.978 -4.320 0.954 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.658 -2.379 -0.443 1.00 0.00 C ATOM 0 H VAL A 17 8.683 -0.902 1.549 1.00 0.00 H new ATOM 0 HA VAL A 17 10.260 -2.989 2.910 1.00 0.00 H new ATOM 0 HB VAL A 17 11.003 -3.680 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.936 -4.933 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.245 -4.945 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.003 -3.865 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.612 -3.014 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.687 -1.910 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.414 -1.608 -0.590 1.00 0.00 H new ATOM 252 N LYS A 18 12.439 -1.858 2.267 1.00 0.00 N ATOM 253 CA LYS A 18 13.656 -1.081 2.134 1.00 0.00 C ATOM 254 C LYS A 18 14.001 -0.843 0.666 1.00 0.00 C ATOM 255 O LYS A 18 14.593 0.193 0.322 1.00 0.00 O ATOM 256 CB LYS A 18 14.818 -1.801 2.827 1.00 0.00 C ATOM 257 CG LYS A 18 14.603 -1.797 4.350 1.00 0.00 C ATOM 258 CD LYS A 18 15.767 -2.529 5.031 1.00 0.00 C ATOM 259 CE LYS A 18 15.614 -2.448 6.556 1.00 0.00 C ATOM 260 NZ LYS A 18 14.338 -3.087 6.970 1.00 0.00 N ATOM 0 H LYS A 18 12.580 -2.794 2.647 1.00 0.00 H new ATOM 0 HA LYS A 18 13.491 -0.114 2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.890 -2.826 2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.760 -1.309 2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.539 -0.773 4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.659 -2.283 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.788 -3.572 4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.715 -2.084 4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.454 -2.945 7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.630 -1.407 6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.658 -2.353 7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.949 -3.632 6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.513 -3.724 7.773 1.00 0.00 H new ATOM 274 N LYS A 19 13.818 -1.892 -0.149 1.00 0.00 N ATOM 275 CA LYS A 19 14.305 -1.896 -1.535 1.00 0.00 C ATOM 276 C LYS A 19 13.219 -2.252 -2.554 1.00 0.00 C ATOM 277 O LYS A 19 12.264 -2.972 -2.256 1.00 0.00 O ATOM 278 CB LYS A 19 15.477 -2.874 -1.666 1.00 0.00 C ATOM 279 CG LYS A 19 16.679 -2.341 -0.875 1.00 0.00 C ATOM 280 CD LYS A 19 17.848 -3.326 -0.982 1.00 0.00 C ATOM 281 CE LYS A 19 19.091 -2.743 -0.291 1.00 0.00 C ATOM 282 NZ LYS A 19 18.711 -2.156 1.019 1.00 0.00 N ATOM 0 H LYS A 19 13.337 -2.748 0.128 1.00 0.00 H new ATOM 0 HA LYS A 19 14.628 -0.880 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 19 15.188 -3.856 -1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.745 -2.999 -2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.976 -1.366 -1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.405 -2.200 0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.577 -4.276 -0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 19 18.067 -3.531 -2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.838 -3.524 -0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.545 -1.980 -0.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.549 -2.105 1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.330 -1.199 0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.987 -2.752 1.470 1.00 0.00 H new ATOM 296 N GLN A 20 13.428 -1.816 -3.790 1.00 0.00 N ATOM 297 CA GLN A 20 12.518 -2.133 -4.888 1.00 0.00 C ATOM 298 C GLN A 20 12.443 -3.641 -5.096 1.00 0.00 C ATOM 299 O GLN A 20 11.373 -4.181 -5.345 1.00 0.00 O ATOM 300 CB GLN A 20 12.990 -1.468 -6.190 1.00 0.00 C ATOM 301 CG GLN A 20 12.790 0.049 -6.116 1.00 0.00 C ATOM 302 CD GLN A 20 13.344 0.723 -7.371 1.00 0.00 C ATOM 303 OE1 GLN A 20 13.215 1.941 -7.527 1.00 0.00 O ATOM 304 NE2 GLN A 20 13.964 0.022 -8.270 1.00 0.00 N ATOM 0 H GLN A 20 14.224 -1.238 -4.060 1.00 0.00 H new ATOM 0 HA GLN A 20 11.530 -1.752 -4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 20 14.042 -1.695 -6.361 1.00 0.00 H new ATOM 0 HB3 GLN A 20 12.435 -1.874 -7.036 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.729 0.277 -6.011 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.290 0.445 -5.232 1.00 0.00 H new ATOM 0 HE21 GLN A 20 14.073 -0.985 -8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 20 14.342 0.478 -9.101 1.00 0.00 H new ATOM 313 N GLY A 21 13.573 -4.316 -4.965 1.00 0.00 N ATOM 314 CA GLY A 21 13.603 -5.770 -5.129 1.00 0.00 C ATOM 315 C GLY A 21 12.665 -6.426 -4.139 1.00 0.00 C ATOM 316 O GLY A 21 11.917 -7.351 -4.479 1.00 0.00 O ATOM 0 H GLY A 21 14.475 -3.892 -4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.314 -6.035 -6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.618 -6.139 -4.980 1.00 0.00 H new ATOM 320 N GLU A 22 12.633 -5.876 -2.942 1.00 0.00 N ATOM 321 CA GLU A 22 11.720 -6.330 -1.920 1.00 0.00 C ATOM 322 C GLU A 22 10.289 -6.035 -2.358 1.00 0.00 C ATOM 323 O GLU A 22 9.396 -6.887 -2.238 1.00 0.00 O ATOM 324 CB GLU A 22 12.027 -5.601 -0.609 1.00 0.00 C ATOM 325 CG GLU A 22 13.394 -6.047 -0.068 1.00 0.00 C ATOM 326 CD GLU A 22 13.802 -5.232 1.157 1.00 0.00 C ATOM 327 OE1 GLU A 22 13.087 -4.320 1.522 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.841 -5.535 1.716 1.00 0.00 O ATOM 0 H GLU A 22 13.237 -5.106 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 22 11.835 -7.403 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.026 -4.523 -0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.249 -5.812 0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.356 -7.105 0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.148 -5.938 -0.847 1.00 0.00 H new ATOM 335 N ALA A 23 10.094 -4.844 -2.925 1.00 0.00 N ATOM 336 CA ALA A 23 8.784 -4.443 -3.441 1.00 0.00 C ATOM 337 C ALA A 23 8.321 -5.397 -4.531 1.00 0.00 C ATOM 338 O ALA A 23 7.207 -5.917 -4.487 1.00 0.00 O ATOM 339 CB ALA A 23 8.832 -3.012 -3.996 1.00 0.00 C ATOM 0 H ALA A 23 10.824 -4.141 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 23 8.075 -4.478 -2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.848 -2.735 -4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.123 -2.324 -3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.560 -2.960 -4.806 1.00 0.00 H new ATOM 345 N LEU A 24 9.201 -5.677 -5.471 1.00 0.00 N ATOM 346 CA LEU A 24 8.881 -6.597 -6.543 1.00 0.00 C ATOM 347 C LEU A 24 8.581 -7.968 -5.972 1.00 0.00 C ATOM 348 O LEU A 24 7.622 -8.626 -6.384 1.00 0.00 O ATOM 349 CB LEU A 24 10.045 -6.689 -7.544 1.00 0.00 C ATOM 350 CG LEU A 24 10.001 -5.538 -8.582 1.00 0.00 C ATOM 351 CD1 LEU A 24 9.070 -5.906 -9.737 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.525 -4.226 -7.945 1.00 0.00 C ATOM 0 H LEU A 24 10.140 -5.282 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 24 8.001 -6.225 -7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.992 -6.657 -7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.005 -7.647 -8.062 1.00 0.00 H new ATOM 0 HG LEU A 24 11.014 -5.393 -8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.047 -5.090 -10.460 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.434 -6.811 -10.223 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.065 -6.079 -9.353 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.506 -3.441 -8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.523 -4.362 -7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.207 -3.942 -7.144 1.00 0.00 H new ATOM 364 N ALA A 25 9.382 -8.388 -5.001 1.00 0.00 N ATOM 365 CA ALA A 25 9.188 -9.688 -4.376 1.00 0.00 C ATOM 366 C ALA A 25 7.789 -9.809 -3.785 1.00 0.00 C ATOM 367 O ALA A 25 7.081 -10.793 -4.037 1.00 0.00 O ATOM 368 CB ALA A 25 10.229 -9.924 -3.284 1.00 0.00 C ATOM 0 H ALA A 25 10.167 -7.851 -4.632 1.00 0.00 H new ATOM 0 HA ALA A 25 9.307 -10.446 -5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.065 -10.901 -2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.228 -9.889 -3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.138 -9.150 -2.522 1.00 0.00 H new ATOM 374 N VAL A 26 7.379 -8.819 -3.000 1.00 0.00 N ATOM 375 CA VAL A 26 6.044 -8.856 -2.413 1.00 0.00 C ATOM 376 C VAL A 26 4.977 -8.750 -3.493 1.00 0.00 C ATOM 377 O VAL A 26 3.979 -9.471 -3.466 1.00 0.00 O ATOM 378 CB VAL A 26 5.856 -7.772 -1.337 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.815 -8.023 -0.177 1.00 0.00 C ATOM 380 CG2 VAL A 26 6.136 -6.390 -1.920 1.00 0.00 C ATOM 0 H VAL A 26 7.936 -7.999 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 26 5.933 -9.819 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 26 4.826 -7.813 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.678 -7.253 0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.611 -9.001 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.842 -7.994 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.999 -5.634 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.161 -6.351 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.448 -6.196 -2.743 1.00 0.00 H new ATOM 390 N GLN A 27 5.213 -7.883 -4.468 1.00 0.00 N ATOM 391 CA GLN A 27 4.269 -7.716 -5.565 1.00 0.00 C ATOM 392 C GLN A 27 4.082 -9.032 -6.295 1.00 0.00 C ATOM 393 O GLN A 27 2.953 -9.455 -6.556 1.00 0.00 O ATOM 394 CB GLN A 27 4.784 -6.660 -6.544 1.00 0.00 C ATOM 395 CG GLN A 27 4.689 -5.268 -5.916 1.00 0.00 C ATOM 396 CD GLN A 27 5.377 -4.249 -6.814 1.00 0.00 C ATOM 397 OE1 GLN A 27 6.274 -3.534 -6.371 1.00 0.00 O ATOM 398 NE2 GLN A 27 5.027 -4.150 -8.055 1.00 0.00 N ATOM 0 H GLN A 27 6.041 -7.290 -4.523 1.00 0.00 H new ATOM 0 HA GLN A 27 3.312 -7.392 -5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.818 -6.876 -6.813 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.202 -6.692 -7.465 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.644 -4.994 -5.774 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.155 -5.271 -4.931 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.283 -4.742 -8.424 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.495 -3.480 -8.665 1.00 0.00 H new ATOM 407 N GLU A 28 5.186 -9.698 -6.585 1.00 0.00 N ATOM 408 CA GLU A 28 5.135 -10.977 -7.255 1.00 0.00 C ATOM 409 C GLU A 28 4.528 -12.052 -6.385 1.00 0.00 C ATOM 410 O GLU A 28 3.742 -12.867 -6.862 1.00 0.00 O ATOM 411 CB GLU A 28 6.499 -11.389 -7.807 1.00 0.00 C ATOM 412 CG GLU A 28 6.835 -10.467 -8.980 1.00 0.00 C ATOM 413 CD GLU A 28 5.775 -10.626 -10.054 1.00 0.00 C ATOM 414 OE1 GLU A 28 5.574 -11.737 -10.496 1.00 0.00 O ATOM 415 OE2 GLU A 28 5.151 -9.644 -10.392 1.00 0.00 O ATOM 0 H GLU A 28 6.127 -9.371 -6.365 1.00 0.00 H new ATOM 0 HA GLU A 28 4.471 -10.856 -8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.262 -11.313 -7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.479 -12.429 -8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.878 -9.431 -8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.818 -10.713 -9.382 1.00 0.00 H new ATOM 422 N ARG A 29 4.835 -12.030 -5.111 1.00 0.00 N ATOM 423 CA ARG A 29 4.224 -12.978 -4.206 1.00 0.00 C ATOM 424 C ARG A 29 2.721 -12.735 -4.116 1.00 0.00 C ATOM 425 O ARG A 29 1.927 -13.674 -4.086 1.00 0.00 O ATOM 426 CB ARG A 29 4.886 -12.980 -2.826 1.00 0.00 C ATOM 427 CG ARG A 29 4.294 -14.130 -1.999 1.00 0.00 C ATOM 428 CD ARG A 29 5.380 -14.769 -1.134 1.00 0.00 C ATOM 429 NE ARG A 29 5.848 -13.845 -0.110 1.00 0.00 N ATOM 430 CZ ARG A 29 5.246 -13.756 1.072 1.00 0.00 C ATOM 431 NH1 ARG A 29 4.129 -14.400 1.292 1.00 0.00 N ATOM 432 NH2 ARG A 29 5.754 -13.006 2.007 1.00 0.00 N ATOM 0 H ARG A 29 5.492 -11.379 -4.681 1.00 0.00 H new ATOM 0 HA ARG A 29 4.384 -13.975 -4.616 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.965 -13.101 -2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.717 -12.027 -2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.488 -13.756 -1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.859 -14.878 -2.662 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.990 -15.671 -0.663 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.217 -15.074 -1.762 1.00 0.00 H new ATOM 0 HE ARG A 29 6.656 -13.253 -0.304 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.717 -14.973 0.555 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.670 -14.329 2.200 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.614 -12.486 1.833 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.292 -12.938 2.914 1.00 0.00 H new ATOM 446 N LEU A 30 2.329 -11.469 -4.127 1.00 0.00 N ATOM 447 CA LEU A 30 0.914 -11.101 -4.068 1.00 0.00 C ATOM 448 C LEU A 30 0.184 -11.760 -5.224 1.00 0.00 C ATOM 449 O LEU A 30 -1.004 -12.071 -5.135 1.00 0.00 O ATOM 450 CB LEU A 30 0.751 -9.567 -4.163 1.00 0.00 C ATOM 451 CG LEU A 30 -0.246 -9.049 -3.105 1.00 0.00 C ATOM 452 CD1 LEU A 30 -1.557 -9.842 -3.169 1.00 0.00 C ATOM 453 CD2 LEU A 30 0.363 -9.176 -1.706 1.00 0.00 C ATOM 0 H LEU A 30 2.968 -10.676 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 30 0.496 -11.438 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.719 -9.086 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.402 -9.296 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.458 -8.000 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.248 -9.463 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.001 -9.731 -4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.354 -10.896 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.347 -8.808 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.591 -10.222 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.279 -8.588 -1.653 1.00 0.00 H new ATOM 465 N LYS A 31 0.918 -12.013 -6.292 1.00 0.00 N ATOM 466 CA LYS A 31 0.351 -12.647 -7.468 1.00 0.00 C ATOM 467 C LYS A 31 -0.167 -14.023 -7.080 1.00 0.00 C ATOM 468 O LYS A 31 -1.165 -14.500 -7.620 1.00 0.00 O ATOM 469 CB LYS A 31 1.404 -12.798 -8.574 1.00 0.00 C ATOM 470 CG LYS A 31 2.119 -11.456 -8.828 1.00 0.00 C ATOM 471 CD LYS A 31 1.124 -10.359 -9.172 1.00 0.00 C ATOM 472 CE LYS A 31 1.886 -9.070 -9.523 1.00 0.00 C ATOM 473 NZ LYS A 31 2.746 -9.297 -10.720 1.00 0.00 N ATOM 0 H LYS A 31 1.910 -11.789 -6.369 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.459 -12.024 -7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.133 -13.557 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.928 -13.142 -9.492 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.687 -11.171 -7.943 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.834 -11.570 -9.643 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.502 -10.667 -10.012 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.456 -10.182 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.181 -8.263 -9.719 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.500 -8.759 -8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.903 -8.394 -11.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.661 -9.692 -10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.275 -9.964 -11.364 1.00 0.00 H new ATOM 487 N ALA A 32 0.501 -14.638 -6.105 1.00 0.00 N ATOM 488 CA ALA A 32 0.095 -15.940 -5.582 1.00 0.00 C ATOM 489 C ALA A 32 -1.328 -15.871 -5.050 1.00 0.00 C ATOM 490 O ALA A 32 -1.995 -16.893 -4.894 1.00 0.00 O ATOM 491 CB ALA A 32 1.040 -16.397 -4.465 1.00 0.00 C ATOM 0 H ALA A 32 1.332 -14.251 -5.659 1.00 0.00 H new ATOM 0 HA ALA A 32 0.142 -16.662 -6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.718 -17.369 -4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.054 -16.477 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.021 -15.671 -3.652 1.00 0.00 H new ATOM 497 N GLY A 33 -1.774 -14.668 -4.728 1.00 0.00 N ATOM 498 CA GLY A 33 -3.110 -14.478 -4.194 1.00 0.00 C ATOM 499 C GLY A 33 -3.133 -14.648 -2.685 1.00 0.00 C ATOM 500 O GLY A 33 -4.201 -14.848 -2.097 1.00 0.00 O ATOM 0 H GLY A 33 -1.231 -13.810 -4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.470 -13.483 -4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.792 -15.194 -4.653 1.00 0.00 H new ATOM 504 N GLU A 34 -1.971 -14.510 -2.048 1.00 0.00 N ATOM 505 CA GLU A 34 -1.911 -14.569 -0.594 1.00 0.00 C ATOM 506 C GLU A 34 -2.666 -13.390 -0.012 1.00 0.00 C ATOM 507 O GLU A 34 -2.870 -12.379 -0.689 1.00 0.00 O ATOM 508 CB GLU A 34 -0.464 -14.515 -0.078 1.00 0.00 C ATOM 509 CG GLU A 34 0.295 -15.793 -0.426 1.00 0.00 C ATOM 510 CD GLU A 34 1.586 -15.831 0.369 1.00 0.00 C ATOM 511 OE1 GLU A 34 1.510 -15.974 1.568 1.00 0.00 O ATOM 512 OE2 GLU A 34 2.628 -15.724 -0.218 1.00 0.00 O ATOM 0 H GLU A 34 -1.074 -14.359 -2.509 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.357 -15.515 -0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.048 -13.656 -0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.466 -14.373 1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.314 -16.667 -0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.509 -15.825 -1.494 1.00 0.00 H new ATOM 519 N LYS A 35 -2.977 -13.468 1.271 1.00 0.00 N ATOM 520 CA LYS A 35 -3.590 -12.343 1.929 1.00 0.00 C ATOM 521 C LYS A 35 -2.588 -11.205 1.951 1.00 0.00 C ATOM 522 O LYS A 35 -1.440 -11.382 2.392 1.00 0.00 O ATOM 523 CB LYS A 35 -4.007 -12.711 3.365 1.00 0.00 C ATOM 524 CG LYS A 35 -4.879 -11.588 3.960 1.00 0.00 C ATOM 525 CD LYS A 35 -5.379 -11.992 5.356 1.00 0.00 C ATOM 526 CE LYS A 35 -6.351 -10.923 5.894 1.00 0.00 C ATOM 527 NZ LYS A 35 -5.677 -9.593 5.972 1.00 0.00 N ATOM 0 H LYS A 35 -2.817 -14.284 1.862 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.489 -12.046 1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.559 -13.651 3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.122 -12.863 3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.303 -10.665 4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.727 -11.389 3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.879 -12.959 5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.535 -12.104 6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.224 -10.857 5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.710 -11.214 6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.384 -8.857 6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.967 -9.607 6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.210 -9.387 5.066 1.00 0.00 H new ATOM 541 N PHE A 36 -3.024 -10.033 1.535 1.00 0.00 N ATOM 542 CA PHE A 36 -2.150 -8.876 1.510 1.00 0.00 C ATOM 543 C PHE A 36 -1.596 -8.685 2.907 1.00 0.00 C ATOM 544 O PHE A 36 -0.402 -8.491 3.104 1.00 0.00 O ATOM 545 CB PHE A 36 -2.942 -7.637 1.078 1.00 0.00 C ATOM 546 CG PHE A 36 -2.012 -6.472 0.865 1.00 0.00 C ATOM 547 CD1 PHE A 36 -1.417 -6.280 -0.387 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.749 -5.584 1.906 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.561 -5.201 -0.599 1.00 0.00 C ATOM 550 CE2 PHE A 36 -0.887 -4.504 1.697 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.294 -4.313 0.441 1.00 0.00 C ATOM 0 H PHE A 36 -3.975 -9.856 1.211 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.336 -9.024 0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.488 -7.848 0.159 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.682 -7.386 1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.622 -6.970 -1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.210 -5.730 2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.106 -5.053 -1.567 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.678 -3.816 2.503 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.370 -3.477 0.279 1.00 0.00 H new ATOM 561 N GLY A 37 -2.472 -8.833 3.871 1.00 0.00 N ATOM 562 CA GLY A 37 -2.112 -8.749 5.271 1.00 0.00 C ATOM 563 C GLY A 37 -1.033 -9.747 5.636 1.00 0.00 C ATOM 564 O GLY A 37 -0.121 -9.419 6.379 1.00 0.00 O ATOM 0 H GLY A 37 -3.462 -9.016 3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.766 -7.741 5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.995 -8.928 5.885 1.00 0.00 H new ATOM 568 N LYS A 38 -1.115 -10.947 5.082 1.00 0.00 N ATOM 569 CA LYS A 38 -0.096 -11.952 5.340 1.00 0.00 C ATOM 570 C LYS A 38 1.249 -11.425 4.876 1.00 0.00 C ATOM 571 O LYS A 38 2.208 -11.386 5.647 1.00 0.00 O ATOM 572 CB LYS A 38 -0.463 -13.266 4.627 1.00 0.00 C ATOM 573 CG LYS A 38 0.569 -14.365 4.932 1.00 0.00 C ATOM 574 CD LYS A 38 0.076 -15.688 4.325 1.00 0.00 C ATOM 575 CE LYS A 38 1.065 -16.827 4.612 1.00 0.00 C ATOM 576 NZ LYS A 38 2.272 -16.662 3.773 1.00 0.00 N ATOM 0 H LYS A 38 -1.866 -11.246 4.459 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.037 -12.161 6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.453 -13.593 4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.514 -13.098 3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.540 -14.097 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.702 -14.470 6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.902 -15.939 4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.050 -15.574 3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.340 -16.825 5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.596 -17.789 4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.641 -17.597 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.027 -16.130 2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.997 -16.142 4.307 1.00 0.00 H new ATOM 590 N LEU A 39 1.263 -10.854 3.688 1.00 0.00 N ATOM 591 CA LEU A 39 2.461 -10.195 3.194 1.00 0.00 C ATOM 592 C LEU A 39 2.823 -9.029 4.101 1.00 0.00 C ATOM 593 O LEU A 39 4.009 -8.801 4.395 1.00 0.00 O ATOM 594 CB LEU A 39 2.262 -9.685 1.755 1.00 0.00 C ATOM 595 CG LEU A 39 2.476 -10.817 0.723 1.00 0.00 C ATOM 596 CD1 LEU A 39 3.955 -10.908 0.350 1.00 0.00 C ATOM 597 CD2 LEU A 39 1.993 -12.167 1.275 1.00 0.00 C ATOM 0 H LEU A 39 0.468 -10.831 3.050 1.00 0.00 H new ATOM 0 HA LEU A 39 3.271 -10.925 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.257 -9.277 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.959 -8.871 1.555 1.00 0.00 H new ATOM 0 HG LEU A 39 1.891 -10.583 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.098 -11.707 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.280 -9.962 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.543 -11.120 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.156 -12.944 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.550 -12.410 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.930 -12.105 1.509 1.00 0.00 H new ATOM 609 N ALA A 40 1.808 -8.278 4.536 1.00 0.00 N ATOM 610 CA ALA A 40 2.046 -7.120 5.371 1.00 0.00 C ATOM 611 C ALA A 40 2.699 -7.533 6.674 1.00 0.00 C ATOM 612 O ALA A 40 3.673 -6.910 7.113 1.00 0.00 O ATOM 613 CB ALA A 40 0.743 -6.378 5.651 1.00 0.00 C ATOM 0 H ALA A 40 0.827 -8.456 4.321 1.00 0.00 H new ATOM 0 HA ALA A 40 2.719 -6.449 4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.946 -5.511 6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.303 -6.048 4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.048 -7.044 6.163 1.00 0.00 H new ATOM 619 N LYS A 41 2.203 -8.619 7.250 1.00 0.00 N ATOM 620 CA LYS A 41 2.778 -9.183 8.460 1.00 0.00 C ATOM 621 C LYS A 41 4.173 -9.684 8.168 1.00 0.00 C ATOM 622 O LYS A 41 5.078 -9.577 9.001 1.00 0.00 O ATOM 623 CB LYS A 41 1.943 -10.393 8.914 1.00 0.00 C ATOM 624 CG LYS A 41 0.552 -9.974 9.409 1.00 0.00 C ATOM 625 CD LYS A 41 0.664 -9.355 10.807 1.00 0.00 C ATOM 626 CE LYS A 41 -0.741 -9.178 11.400 1.00 0.00 C ATOM 627 NZ LYS A 41 -1.419 -8.029 10.756 1.00 0.00 N ATOM 0 H LYS A 41 1.396 -9.130 6.893 1.00 0.00 H new ATOM 0 HA LYS A 41 2.794 -8.413 9.231 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.838 -11.093 8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.469 -10.919 9.711 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.111 -9.256 8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.110 -10.839 9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.265 -9.995 11.453 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.171 -8.392 10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.325 -10.086 11.251 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.673 -9.015 12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.069 -7.584 11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.709 -7.334 10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.956 -8.361 9.930 1.00 0.00 H new ATOM 641 N GLU A 42 4.289 -10.374 7.050 1.00 0.00 N ATOM 642 CA GLU A 42 5.486 -11.110 6.712 1.00 0.00 C ATOM 643 C GLU A 42 6.682 -10.254 6.366 1.00 0.00 C ATOM 644 O GLU A 42 7.812 -10.658 6.657 1.00 0.00 O ATOM 645 CB GLU A 42 5.194 -12.073 5.562 1.00 0.00 C ATOM 646 CG GLU A 42 4.418 -13.283 6.083 1.00 0.00 C ATOM 647 CD GLU A 42 4.053 -14.209 4.942 1.00 0.00 C ATOM 648 OE1 GLU A 42 4.260 -13.843 3.797 1.00 0.00 O ATOM 649 OE2 GLU A 42 3.568 -15.275 5.215 1.00 0.00 O ATOM 0 H GLU A 42 3.551 -10.438 6.349 1.00 0.00 H new ATOM 0 HA GLU A 42 5.762 -11.650 7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.618 -11.566 4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.127 -12.399 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.019 -13.820 6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.514 -12.951 6.593 1.00 0.00 H new ATOM 656 N LEU A 43 6.479 -9.217 5.579 1.00 0.00 N ATOM 657 CA LEU A 43 7.612 -8.497 5.025 1.00 0.00 C ATOM 658 C LEU A 43 7.702 -7.030 5.480 1.00 0.00 C ATOM 659 O LEU A 43 8.799 -6.515 5.704 1.00 0.00 O ATOM 660 CB LEU A 43 7.608 -8.670 3.483 1.00 0.00 C ATOM 661 CG LEU A 43 8.405 -7.581 2.759 1.00 0.00 C ATOM 662 CD1 LEU A 43 7.652 -6.258 2.833 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.815 -7.438 3.363 1.00 0.00 C ATOM 0 H LEU A 43 5.562 -8.858 5.312 1.00 0.00 H new ATOM 0 HA LEU A 43 8.527 -8.934 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.024 -9.646 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.579 -8.659 3.124 1.00 0.00 H new ATOM 0 HG LEU A 43 8.519 -7.867 1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.222 -5.486 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.677 -6.367 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.518 -5.974 3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.361 -6.659 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.734 -7.171 4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.349 -8.384 3.269 1.00 0.00 H new ATOM 675 N SER A 44 6.572 -6.347 5.553 1.00 0.00 N ATOM 676 CA SER A 44 6.575 -4.904 5.817 1.00 0.00 C ATOM 677 C SER A 44 7.512 -4.531 6.957 1.00 0.00 C ATOM 678 O SER A 44 7.390 -5.060 8.070 1.00 0.00 O ATOM 679 CB SER A 44 5.171 -4.436 6.178 1.00 0.00 C ATOM 680 OG SER A 44 4.232 -5.138 5.397 1.00 0.00 O ATOM 0 H SER A 44 5.645 -6.757 5.436 1.00 0.00 H new ATOM 0 HA SER A 44 6.923 -4.417 4.906 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.980 -4.606 7.238 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.077 -3.364 6.005 1.00 0.00 H new ATOM 0 HG SER A 44 3.437 -4.581 5.261 1.00 0.00 H new ATOM 686 N ILE A 45 8.312 -3.493 6.731 1.00 0.00 N ATOM 687 CA ILE A 45 9.110 -2.913 7.798 1.00 0.00 C ATOM 688 C ILE A 45 8.244 -1.942 8.580 1.00 0.00 C ATOM 689 O ILE A 45 8.532 -1.616 9.734 1.00 0.00 O ATOM 690 CB ILE A 45 10.367 -2.209 7.247 1.00 0.00 C ATOM 691 CG1 ILE A 45 9.970 -1.100 6.272 1.00 0.00 C ATOM 692 CG2 ILE A 45 11.261 -3.222 6.525 1.00 0.00 C ATOM 693 CD1 ILE A 45 11.212 -0.302 5.868 1.00 0.00 C ATOM 0 H ILE A 45 8.422 -3.041 5.823 1.00 0.00 H new ATOM 0 HA ILE A 45 9.458 -3.709 8.456 1.00 0.00 H new ATOM 0 HB ILE A 45 10.913 -1.772 8.083 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.499 -1.530 5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.236 -0.440 6.735 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.146 -2.716 6.139 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.564 -4.002 7.223 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.710 -3.670 5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.927 0.488 5.173 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.664 0.141 6.755 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.931 -0.966 5.388 1.00 0.00 H new ATOM 705 N ASP A 46 7.110 -1.594 7.974 1.00 0.00 N ATOM 706 CA ASP A 46 6.104 -0.769 8.615 1.00 0.00 C ATOM 707 C ASP A 46 5.278 -1.652 9.535 1.00 0.00 C ATOM 708 O ASP A 46 4.345 -2.340 9.095 1.00 0.00 O ATOM 709 CB ASP A 46 5.202 -0.128 7.540 1.00 0.00 C ATOM 710 CG ASP A 46 4.174 0.819 8.147 1.00 0.00 C ATOM 711 OD1 ASP A 46 3.690 0.556 9.231 1.00 0.00 O ATOM 712 OD2 ASP A 46 3.848 1.784 7.497 1.00 0.00 O ATOM 0 H ASP A 46 6.869 -1.879 7.025 1.00 0.00 H new ATOM 0 HA ASP A 46 6.575 0.027 9.193 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.820 0.417 6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.688 -0.912 6.983 1.00 0.00 H new ATOM 717 N GLY A 47 5.697 -1.715 10.783 1.00 0.00 N ATOM 718 CA GLY A 47 5.080 -2.602 11.749 1.00 0.00 C ATOM 719 C GLY A 47 3.629 -2.254 11.959 1.00 0.00 C ATOM 720 O GLY A 47 2.761 -3.125 11.911 1.00 0.00 O ATOM 0 H GLY A 47 6.467 -1.159 11.154 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.163 -3.633 11.405 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.613 -2.538 12.698 1.00 0.00 H new ATOM 724 N GLY A 48 3.352 -0.977 12.142 1.00 0.00 N ATOM 725 CA GLY A 48 1.987 -0.534 12.379 1.00 0.00 C ATOM 726 C GLY A 48 1.085 -0.990 11.252 1.00 0.00 C ATOM 727 O GLY A 48 0.055 -1.631 11.484 1.00 0.00 O ATOM 0 H GLY A 48 4.047 -0.231 12.132 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.627 -0.934 13.327 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.959 0.553 12.460 1.00 0.00 H new ATOM 731 N SER A 49 1.530 -0.784 10.034 1.00 0.00 N ATOM 732 CA SER A 49 0.805 -1.296 8.895 1.00 0.00 C ATOM 733 C SER A 49 0.770 -2.824 8.931 1.00 0.00 C ATOM 734 O SER A 49 -0.242 -3.442 8.592 1.00 0.00 O ATOM 735 CB SER A 49 1.426 -0.793 7.600 1.00 0.00 C ATOM 736 OG SER A 49 1.502 0.637 7.643 1.00 0.00 O ATOM 0 H SER A 49 2.382 -0.271 9.808 1.00 0.00 H new ATOM 0 HA SER A 49 -0.222 -0.932 8.940 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.421 -1.219 7.469 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.828 -1.113 6.747 1.00 0.00 H new ATOM 0 HG SER A 49 0.742 1.020 7.157 1.00 0.00 H new ATOM 742 N ALA A 50 1.844 -3.427 9.433 1.00 0.00 N ATOM 743 CA ALA A 50 1.908 -4.873 9.559 1.00 0.00 C ATOM 744 C ALA A 50 0.862 -5.363 10.536 1.00 0.00 C ATOM 745 O ALA A 50 0.218 -6.388 10.311 1.00 0.00 O ATOM 746 CB ALA A 50 3.302 -5.322 10.013 1.00 0.00 C ATOM 0 H ALA A 50 2.677 -2.936 9.757 1.00 0.00 H new ATOM 0 HA ALA A 50 1.709 -5.307 8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.324 -6.408 10.100 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.044 -5.001 9.281 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.531 -4.876 10.981 1.00 0.00 H new ATOM 752 N LYS A 51 0.640 -4.595 11.583 1.00 0.00 N ATOM 753 CA LYS A 51 -0.352 -4.947 12.591 1.00 0.00 C ATOM 754 C LYS A 51 -1.715 -5.031 11.930 1.00 0.00 C ATOM 755 O LYS A 51 -2.534 -5.886 12.267 1.00 0.00 O ATOM 756 CB LYS A 51 -0.420 -3.851 13.668 1.00 0.00 C ATOM 757 CG LYS A 51 0.910 -3.714 14.419 1.00 0.00 C ATOM 758 CD LYS A 51 1.171 -4.939 15.304 1.00 0.00 C ATOM 759 CE LYS A 51 2.495 -4.756 16.059 1.00 0.00 C ATOM 760 NZ LYS A 51 2.717 -3.315 16.342 1.00 0.00 N ATOM 0 H LYS A 51 1.132 -3.720 11.763 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.075 -5.899 13.043 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.676 -2.899 13.203 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.216 -4.084 14.376 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.725 -3.597 13.704 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.894 -2.814 15.034 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.352 -5.070 16.012 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.211 -5.840 14.692 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.474 -5.320 16.991 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.320 -5.151 15.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.498 -3.211 17.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.958 -2.821 15.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.851 -2.903 16.744 1.00 0.00 H new ATOM 774 N ARG A 52 -1.957 -4.100 11.032 1.00 0.00 N ATOM 775 CA ARG A 52 -3.244 -3.948 10.378 1.00 0.00 C ATOM 776 C ARG A 52 -3.285 -4.633 9.016 1.00 0.00 C ATOM 777 O ARG A 52 -4.179 -4.372 8.205 1.00 0.00 O ATOM 778 CB ARG A 52 -3.559 -2.467 10.247 1.00 0.00 C ATOM 779 CG ARG A 52 -3.817 -1.886 11.643 1.00 0.00 C ATOM 780 CD ARG A 52 -3.997 -0.374 11.543 1.00 0.00 C ATOM 781 NE ARG A 52 -2.713 0.260 11.236 1.00 0.00 N ATOM 782 CZ ARG A 52 -2.604 1.293 10.392 1.00 0.00 C ATOM 783 NH1 ARG A 52 -3.652 1.737 9.746 1.00 0.00 N ATOM 784 NH2 ARG A 52 -1.441 1.845 10.204 1.00 0.00 N ATOM 0 H ARG A 52 -1.260 -3.419 10.731 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.001 -4.436 10.992 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.729 -1.946 9.770 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.433 -2.323 9.612 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.707 -2.340 12.078 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.983 -2.120 12.305 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.725 -0.136 10.767 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.391 0.017 12.481 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.869 -0.100 11.683 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.561 1.295 9.884 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.560 2.525 9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.622 1.490 10.698 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.348 2.633 9.563 1.00 0.00 H new ATOM 798 N ASP A 53 -2.318 -5.516 8.778 1.00 0.00 N ATOM 799 CA ASP A 53 -2.230 -6.264 7.521 1.00 0.00 C ATOM 800 C ASP A 53 -2.010 -5.324 6.354 1.00 0.00 C ATOM 801 O ASP A 53 -2.511 -5.558 5.253 1.00 0.00 O ATOM 802 CB ASP A 53 -3.513 -7.080 7.268 1.00 0.00 C ATOM 803 CG ASP A 53 -3.575 -8.339 8.110 1.00 0.00 C ATOM 804 OD1 ASP A 53 -2.605 -8.662 8.753 1.00 0.00 O ATOM 805 OD2 ASP A 53 -4.604 -8.982 8.090 1.00 0.00 O ATOM 0 H ASP A 53 -1.577 -5.734 9.444 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.384 -6.945 7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.383 -6.459 7.483 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.567 -7.349 6.213 1.00 0.00 H new ATOM 810 N GLY A 54 -1.304 -4.247 6.596 1.00 0.00 N ATOM 811 CA GLY A 54 -1.050 -3.263 5.559 1.00 0.00 C ATOM 812 C GLY A 54 -2.317 -2.500 5.212 1.00 0.00 C ATOM 813 O GLY A 54 -2.252 -1.339 4.808 1.00 0.00 O ATOM 0 H GLY A 54 -0.892 -4.024 7.502 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.282 -2.566 5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.664 -3.759 4.668 1.00 0.00 H new ATOM 817 N SER A 55 -3.466 -3.157 5.365 1.00 0.00 N ATOM 818 CA SER A 55 -4.750 -2.553 5.068 1.00 0.00 C ATOM 819 C SER A 55 -4.942 -1.266 5.831 1.00 0.00 C ATOM 820 O SER A 55 -5.348 -1.257 6.994 1.00 0.00 O ATOM 821 CB SER A 55 -5.881 -3.536 5.343 1.00 0.00 C ATOM 822 OG SER A 55 -5.831 -4.573 4.358 1.00 0.00 O ATOM 0 H SER A 55 -3.526 -4.119 5.698 1.00 0.00 H new ATOM 0 HA SER A 55 -4.769 -2.305 4.007 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.781 -3.958 6.343 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.843 -3.026 5.307 1.00 0.00 H new ATOM 0 HG SER A 55 -6.553 -5.215 4.522 1.00 0.00 H new ATOM 828 N LEU A 56 -4.683 -0.185 5.140 1.00 0.00 N ATOM 829 CA LEU A 56 -4.846 1.138 5.661 1.00 0.00 C ATOM 830 C LEU A 56 -6.309 1.377 5.933 1.00 0.00 C ATOM 831 O LEU A 56 -6.669 2.193 6.778 1.00 0.00 O ATOM 832 CB LEU A 56 -4.344 2.159 4.637 1.00 0.00 C ATOM 833 CG LEU A 56 -2.839 1.968 4.401 1.00 0.00 C ATOM 834 CD1 LEU A 56 -2.364 2.932 3.320 1.00 0.00 C ATOM 835 CD2 LEU A 56 -2.067 2.225 5.697 1.00 0.00 C ATOM 0 H LEU A 56 -4.345 -0.207 4.178 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.274 1.245 6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.886 2.042 3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.539 3.170 4.993 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.657 0.943 4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.295 2.795 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.903 2.734 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.553 3.957 3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.001 2.087 5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.250 3.246 6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.400 1.526 6.464 1.00 0.00 H new ATOM 847 N GLY A 57 -7.138 0.827 5.059 1.00 0.00 N ATOM 848 CA GLY A 57 -8.555 1.127 5.068 1.00 0.00 C ATOM 849 C GLY A 57 -8.766 2.331 4.197 1.00 0.00 C ATOM 850 O GLY A 57 -7.992 2.543 3.265 1.00 0.00 O ATOM 0 H GLY A 57 -6.850 0.170 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.129 0.279 4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.899 1.323 6.083 1.00 0.00 H new ATOM 854 N TYR A 58 -9.708 3.184 4.561 1.00 0.00 N ATOM 855 CA TYR A 58 -9.896 4.433 3.845 1.00 0.00 C ATOM 856 C TYR A 58 -8.904 5.435 4.389 1.00 0.00 C ATOM 857 O TYR A 58 -8.812 5.612 5.608 1.00 0.00 O ATOM 858 CB TYR A 58 -11.280 5.032 4.134 1.00 0.00 C ATOM 859 CG TYR A 58 -12.401 4.152 3.651 1.00 0.00 C ATOM 860 CD1 TYR A 58 -12.855 3.095 4.448 1.00 0.00 C ATOM 861 CD2 TYR A 58 -13.009 4.410 2.421 1.00 0.00 C ATOM 862 CE1 TYR A 58 -13.913 2.299 4.015 1.00 0.00 C ATOM 863 CE2 TYR A 58 -14.065 3.611 1.986 1.00 0.00 C ATOM 864 CZ TYR A 58 -14.520 2.559 2.785 1.00 0.00 C ATOM 865 OH TYR A 58 -15.561 1.774 2.355 1.00 0.00 O ATOM 0 H TYR A 58 -10.349 3.037 5.341 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.778 4.236 2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.386 5.194 5.207 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -11.357 6.008 3.656 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.385 2.896 5.400 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -12.661 5.228 1.807 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -14.263 1.483 4.629 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -14.531 3.805 1.031 1.00 0.00 H new ATOM 0 HH TYR A 58 -16.019 2.217 1.610 1.00 0.00 H new ATOM 875 N PHE A 59 -8.236 6.143 3.518 1.00 0.00 N ATOM 876 CA PHE A 59 -7.340 7.210 3.946 1.00 0.00 C ATOM 877 C PHE A 59 -7.380 8.362 2.970 1.00 0.00 C ATOM 878 O PHE A 59 -7.657 8.167 1.790 1.00 0.00 O ATOM 879 CB PHE A 59 -5.911 6.690 4.124 1.00 0.00 C ATOM 880 CG PHE A 59 -5.421 6.075 2.838 1.00 0.00 C ATOM 881 CD1 PHE A 59 -4.831 6.871 1.848 1.00 0.00 C ATOM 882 CD2 PHE A 59 -5.552 4.702 2.642 1.00 0.00 C ATOM 883 CE1 PHE A 59 -4.374 6.284 0.662 1.00 0.00 C ATOM 884 CE2 PHE A 59 -5.099 4.118 1.463 1.00 0.00 C ATOM 885 CZ PHE A 59 -4.511 4.906 0.468 1.00 0.00 C ATOM 0 H PHE A 59 -8.288 6.009 2.508 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.684 7.573 4.915 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.253 7.507 4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.882 5.951 4.924 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.729 7.935 1.999 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.006 4.089 3.407 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.916 6.895 -0.102 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.202 3.053 1.316 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.164 4.451 -0.448 1.00 0.00 H new ATOM 895 N GLY A 60 -7.148 9.562 3.471 1.00 0.00 N ATOM 896 CA GLY A 60 -7.206 10.758 2.646 1.00 0.00 C ATOM 897 C GLY A 60 -5.821 11.173 2.185 1.00 0.00 C ATOM 898 O GLY A 60 -4.808 10.701 2.722 1.00 0.00 O ATOM 0 H GLY A 60 -6.917 9.736 4.449 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.841 10.575 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.663 11.571 3.210 1.00 0.00 H new ATOM 902 N ARG A 61 -5.782 12.058 1.200 1.00 0.00 N ATOM 903 CA ARG A 61 -4.538 12.550 0.639 1.00 0.00 C ATOM 904 C ARG A 61 -3.952 13.645 1.504 1.00 0.00 C ATOM 905 O ARG A 61 -4.640 14.209 2.359 1.00 0.00 O ATOM 906 CB ARG A 61 -4.751 13.062 -0.790 1.00 0.00 C ATOM 907 CG ARG A 61 -5.219 11.901 -1.676 1.00 0.00 C ATOM 908 CD ARG A 61 -5.397 12.386 -3.120 1.00 0.00 C ATOM 909 NE ARG A 61 -4.088 12.589 -3.740 1.00 0.00 N ATOM 910 CZ ARG A 61 -3.956 12.997 -5.002 1.00 0.00 C ATOM 911 NH1 ARG A 61 -5.015 13.248 -5.722 1.00 0.00 N ATOM 912 NH2 ARG A 61 -2.770 13.139 -5.512 1.00 0.00 N ATOM 0 H ARG A 61 -6.616 12.455 0.768 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.833 11.719 0.609 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.492 13.862 -0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.824 13.483 -1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.491 11.090 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.160 11.501 -1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.970 11.655 -3.691 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.964 13.317 -3.133 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.248 12.413 -3.188 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.945 13.132 -5.319 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.913 13.560 -6.688 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.945 12.939 -4.947 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.664 13.451 -6.477 1.00 0.00 H new ATOM 926 N GLY A 62 -2.671 13.889 1.335 1.00 0.00 N ATOM 927 CA GLY A 62 -1.955 14.880 2.119 1.00 0.00 C ATOM 928 C GLY A 62 -1.203 14.196 3.237 1.00 0.00 C ATOM 929 O GLY A 62 0.015 14.326 3.359 1.00 0.00 O ATOM 0 H GLY A 62 -2.092 13.406 0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.261 15.429 1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.655 15.608 2.530 1.00 0.00 H new ATOM 933 N LYS A 63 -1.929 13.381 3.980 1.00 0.00 N ATOM 934 CA LYS A 63 -1.347 12.554 5.021 1.00 0.00 C ATOM 935 C LYS A 63 -0.393 11.547 4.400 1.00 0.00 C ATOM 936 O LYS A 63 0.655 11.224 4.964 1.00 0.00 O ATOM 937 CB LYS A 63 -2.455 11.846 5.805 1.00 0.00 C ATOM 938 CG LYS A 63 -3.238 12.903 6.599 1.00 0.00 C ATOM 939 CD LYS A 63 -4.370 12.247 7.405 1.00 0.00 C ATOM 940 CE LYS A 63 -5.082 13.302 8.277 1.00 0.00 C ATOM 941 NZ LYS A 63 -4.641 14.672 7.894 1.00 0.00 N ATOM 0 H LYS A 63 -2.938 13.274 3.879 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.786 13.181 5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.120 11.313 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.028 11.104 6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.564 13.432 7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.653 13.644 5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.086 11.781 6.728 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.966 11.455 8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.162 13.214 8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.862 13.123 9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.201 15.376 8.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.634 14.790 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.780 14.809 6.872 1.00 0.00 H new ATOM 955 N MET A 64 -0.779 11.040 3.246 1.00 0.00 N ATOM 956 CA MET A 64 0.034 10.083 2.506 1.00 0.00 C ATOM 957 C MET A 64 0.974 10.848 1.591 1.00 0.00 C ATOM 958 O MET A 64 0.649 11.954 1.175 1.00 0.00 O ATOM 959 CB MET A 64 -0.871 9.188 1.658 1.00 0.00 C ATOM 960 CG MET A 64 -2.068 8.732 2.495 1.00 0.00 C ATOM 961 SD MET A 64 -1.491 7.908 4.003 1.00 0.00 S ATOM 962 CE MET A 64 -1.590 6.209 3.398 1.00 0.00 C ATOM 0 H MET A 64 -1.661 11.276 2.792 1.00 0.00 H new ATOM 0 HA MET A 64 0.603 9.466 3.202 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.215 9.731 0.778 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.313 8.323 1.301 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.689 9.589 2.754 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.690 8.051 1.914 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.057 5.580 4.156 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.186 6.182 2.486 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.587 5.839 3.187 1.00 0.00 H new ATOM 972 N VAL A 65 2.114 10.270 1.260 1.00 0.00 N ATOM 973 CA VAL A 65 3.036 10.942 0.354 1.00 0.00 C ATOM 974 C VAL A 65 2.485 10.925 -1.072 1.00 0.00 C ATOM 975 O VAL A 65 1.811 9.966 -1.476 1.00 0.00 O ATOM 976 CB VAL A 65 4.454 10.337 0.432 1.00 0.00 C ATOM 977 CG1 VAL A 65 4.992 10.501 1.856 1.00 0.00 C ATOM 978 CG2 VAL A 65 4.420 8.853 0.084 1.00 0.00 C ATOM 0 H VAL A 65 2.422 9.357 1.594 1.00 0.00 H new ATOM 0 HA VAL A 65 3.126 11.982 0.667 1.00 0.00 H new ATOM 0 HB VAL A 65 5.098 10.855 -0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.994 10.076 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.031 11.560 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.335 9.984 2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.428 8.442 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.772 8.329 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.036 8.725 -0.928 1.00 0.00 H new ATOM 988 N LYS A 66 2.684 12.017 -1.790 1.00 0.00 N ATOM 989 CA LYS A 66 2.099 12.182 -3.116 1.00 0.00 C ATOM 990 C LYS A 66 2.223 10.915 -3.971 1.00 0.00 C ATOM 991 O LYS A 66 1.230 10.456 -4.541 1.00 0.00 O ATOM 992 CB LYS A 66 2.723 13.384 -3.842 1.00 0.00 C ATOM 993 CG LYS A 66 2.103 14.690 -3.319 1.00 0.00 C ATOM 994 CD LYS A 66 0.684 14.862 -3.896 1.00 0.00 C ATOM 995 CE LYS A 66 -0.185 15.645 -2.908 1.00 0.00 C ATOM 996 NZ LYS A 66 -0.641 14.737 -1.831 1.00 0.00 N ATOM 0 H LYS A 66 3.248 12.807 -1.478 1.00 0.00 H new ATOM 0 HA LYS A 66 1.035 12.370 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.802 13.395 -3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.558 13.297 -4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.063 14.674 -2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.726 15.538 -3.603 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.730 15.388 -4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.240 13.886 -4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.382 16.474 -2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.043 16.076 -3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.833 15.288 -0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.510 14.250 -2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.099 14.034 -1.633 1.00 0.00 H new ATOM 1010 N PRO A 67 3.402 10.352 -4.091 1.00 0.00 N ATOM 1011 CA PRO A 67 3.567 9.116 -4.923 1.00 0.00 C ATOM 1012 C PRO A 67 2.730 7.958 -4.381 1.00 0.00 C ATOM 1013 O PRO A 67 2.181 7.162 -5.143 1.00 0.00 O ATOM 1014 CB PRO A 67 5.068 8.805 -4.824 1.00 0.00 C ATOM 1015 CG PRO A 67 5.513 9.479 -3.572 1.00 0.00 C ATOM 1016 CD PRO A 67 4.691 10.762 -3.494 1.00 0.00 C ATOM 0 HA PRO A 67 3.230 9.259 -5.950 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.248 7.731 -4.781 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.609 9.184 -5.691 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.339 8.847 -2.701 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.581 9.697 -3.600 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.571 11.106 -2.467 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.155 11.576 -4.050 1.00 0.00 H new ATOM 1024 N PHE A 68 2.566 7.926 -3.064 1.00 0.00 N ATOM 1025 CA PHE A 68 1.718 6.928 -2.428 1.00 0.00 C ATOM 1026 C PHE A 68 0.290 7.109 -2.905 1.00 0.00 C ATOM 1027 O PHE A 68 -0.385 6.151 -3.289 1.00 0.00 O ATOM 1028 CB PHE A 68 1.781 7.056 -0.896 1.00 0.00 C ATOM 1029 CG PHE A 68 1.064 5.895 -0.249 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -0.314 5.958 -0.015 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.784 4.755 0.123 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -0.972 4.882 0.588 1.00 0.00 C ATOM 1033 CE2 PHE A 68 1.126 3.682 0.727 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.250 3.745 0.959 1.00 0.00 C ATOM 0 H PHE A 68 3.009 8.579 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 68 2.074 5.935 -2.701 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.820 7.081 -0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.325 7.995 -0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.870 6.839 -0.301 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.848 4.705 -0.057 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.036 4.930 0.767 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.682 2.802 1.015 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.757 2.913 1.426 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.157 8.356 -2.894 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.504 8.692 -3.319 1.00 0.00 C ATOM 1046 C GLU A 69 -1.660 8.363 -4.783 1.00 0.00 C ATOM 1047 O GLU A 69 -2.618 7.701 -5.197 1.00 0.00 O ATOM 1048 CB GLU A 69 -1.716 10.196 -3.159 1.00 0.00 C ATOM 1049 CG GLU A 69 -1.691 10.588 -1.682 1.00 0.00 C ATOM 1050 CD GLU A 69 -1.742 12.101 -1.543 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -1.902 12.780 -2.554 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -1.611 12.575 -0.449 1.00 0.00 O ATOM 0 H GLU A 69 0.400 9.156 -2.593 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.221 8.132 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.939 10.738 -3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.670 10.483 -3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.538 10.139 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.787 10.202 -1.210 1.00 0.00 H new ATOM 1059 N ASP A 70 -0.687 8.785 -5.564 1.00 0.00 N ATOM 1060 CA ASP A 70 -0.725 8.550 -6.988 1.00 0.00 C ATOM 1061 C ASP A 70 -0.768 7.070 -7.258 1.00 0.00 C ATOM 1062 O ASP A 70 -1.525 6.599 -8.119 1.00 0.00 O ATOM 1063 CB ASP A 70 0.490 9.177 -7.672 1.00 0.00 C ATOM 1064 CG ASP A 70 0.320 9.128 -9.169 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -0.697 9.579 -9.645 1.00 0.00 O ATOM 1066 OD2 ASP A 70 1.212 8.648 -9.831 1.00 0.00 O ATOM 0 H ASP A 70 0.136 9.290 -5.236 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.623 9.015 -7.395 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.609 10.210 -7.345 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.396 8.644 -7.383 1.00 0.00 H new ATOM 1071 N ALA A 71 0.020 6.329 -6.511 1.00 0.00 N ATOM 1072 CA ALA A 71 0.032 4.890 -6.636 1.00 0.00 C ATOM 1073 C ALA A 71 -1.310 4.300 -6.231 1.00 0.00 C ATOM 1074 O ALA A 71 -1.855 3.450 -6.929 1.00 0.00 O ATOM 1075 CB ALA A 71 1.136 4.297 -5.769 1.00 0.00 C ATOM 0 H ALA A 71 0.661 6.700 -5.810 1.00 0.00 H new ATOM 0 HA ALA A 71 0.220 4.642 -7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.136 3.212 -5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.101 4.691 -6.088 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.962 4.563 -4.726 1.00 0.00 H new ATOM 1081 N ALA A 72 -1.833 4.757 -5.096 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.094 4.241 -4.561 1.00 0.00 C ATOM 1083 C ALA A 72 -4.258 4.505 -5.498 1.00 0.00 C ATOM 1084 O ALA A 72 -5.082 3.623 -5.743 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.385 4.858 -3.190 1.00 0.00 C ATOM 0 H ALA A 72 -1.403 5.486 -4.526 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.983 3.161 -4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.326 4.464 -2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.579 4.609 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.458 5.941 -3.287 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.340 5.723 -5.996 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.449 6.120 -6.859 1.00 0.00 C ATOM 1093 C PHE A 73 -5.496 5.299 -8.140 1.00 0.00 C ATOM 1094 O PHE A 73 -6.566 5.095 -8.715 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.431 7.627 -7.143 1.00 0.00 C ATOM 1096 CG PHE A 73 -6.189 8.336 -6.035 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -5.554 8.606 -4.818 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -7.521 8.716 -6.223 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -6.245 9.249 -3.795 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -8.213 9.364 -5.192 1.00 0.00 C ATOM 1101 CZ PHE A 73 -7.577 9.630 -3.978 1.00 0.00 C ATOM 0 H PHE A 73 -3.655 6.459 -5.821 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.370 5.907 -6.317 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.405 7.991 -7.192 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.890 7.836 -8.109 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.524 8.315 -4.672 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.015 8.510 -7.161 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.750 9.454 -2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.242 9.659 -5.337 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.112 10.128 -3.183 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.350 4.817 -8.587 1.00 0.00 N ATOM 1112 CA ARG A 74 -4.322 3.968 -9.774 1.00 0.00 C ATOM 1113 C ARG A 74 -5.067 2.660 -9.538 1.00 0.00 C ATOM 1114 O ARG A 74 -5.560 2.046 -10.487 1.00 0.00 O ATOM 1115 CB ARG A 74 -2.902 3.627 -10.239 1.00 0.00 C ATOM 1116 CG ARG A 74 -2.189 4.839 -10.854 1.00 0.00 C ATOM 1117 CD ARG A 74 -1.001 4.363 -11.754 1.00 0.00 C ATOM 1118 NE ARG A 74 -0.558 2.994 -11.406 1.00 0.00 N ATOM 1119 CZ ARG A 74 -1.206 1.910 -11.874 1.00 0.00 C ATOM 1120 NH1 ARG A 74 -2.174 2.055 -12.737 1.00 0.00 N ATOM 1121 NH2 ARG A 74 -0.862 0.721 -11.488 1.00 0.00 N ATOM 0 H ARG A 74 -3.441 4.992 -8.159 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.812 4.553 -10.552 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.323 3.257 -9.393 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.945 2.822 -10.972 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.893 5.423 -11.446 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.818 5.492 -10.064 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.305 4.391 -12.800 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.165 5.054 -11.646 1.00 0.00 H new ATOM 0 HE ARG A 74 0.253 2.869 -10.800 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.438 2.987 -13.055 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.667 1.236 -13.093 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.096 0.602 -10.825 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.358 -0.095 -11.847 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.951 2.136 -8.331 1.00 0.00 N ATOM 1136 CA LEU A 75 -5.374 0.764 -8.047 1.00 0.00 C ATOM 1137 C LEU A 75 -6.837 0.673 -7.659 1.00 0.00 C ATOM 1138 O LEU A 75 -7.250 -0.306 -7.048 1.00 0.00 O ATOM 1139 CB LEU A 75 -4.537 0.162 -6.921 1.00 0.00 C ATOM 1140 CG LEU A 75 -3.068 0.571 -7.049 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -2.282 -0.060 -5.916 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -2.481 0.118 -8.392 1.00 0.00 C ATOM 0 H LEU A 75 -4.568 2.634 -7.528 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.226 0.205 -8.971 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.927 0.491 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.619 -0.925 -6.944 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.002 1.658 -6.999 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.233 0.225 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.679 0.286 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.368 -1.145 -5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.436 0.423 -8.454 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.548 -0.967 -8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.041 0.576 -9.207 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.629 1.657 -8.033 1.00 0.00 N ATOM 1155 CA GLN A 76 -9.049 1.632 -7.697 1.00 0.00 C ATOM 1156 C GLN A 76 -9.660 0.325 -8.189 1.00 0.00 C ATOM 1157 O GLN A 76 -10.508 -0.271 -7.527 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.756 2.820 -8.345 1.00 0.00 C ATOM 1159 CG GLN A 76 -9.250 4.116 -7.704 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.841 5.324 -8.415 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -11.059 5.396 -8.624 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -9.059 6.276 -8.814 1.00 0.00 N ATOM 0 H GLN A 76 -7.326 2.475 -8.562 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.170 1.701 -6.616 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.565 2.832 -9.418 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.835 2.732 -8.215 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.522 4.138 -6.649 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.162 4.153 -7.753 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.055 6.217 -8.642 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.447 7.085 -9.300 1.00 0.00 H new ATOM 1171 N VAL A 77 -9.158 -0.146 -9.315 1.00 0.00 N ATOM 1172 CA VAL A 77 -9.576 -1.415 -9.882 1.00 0.00 C ATOM 1173 C VAL A 77 -9.221 -2.613 -8.966 1.00 0.00 C ATOM 1174 O VAL A 77 -9.930 -3.617 -8.959 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.993 -1.578 -11.296 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -7.471 -1.494 -11.235 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -9.396 -2.939 -11.876 1.00 0.00 C ATOM 0 H VAL A 77 -8.448 0.340 -9.863 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.663 -1.409 -9.958 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.382 -0.783 -11.932 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.060 -1.610 -12.238 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.176 -0.525 -10.831 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.088 -2.287 -10.592 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.979 -3.046 -12.877 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.013 -3.735 -11.237 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.483 -3.005 -11.927 1.00 0.00 H new ATOM 1187 N GLY A 78 -8.164 -2.477 -8.150 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.777 -3.546 -7.210 1.00 0.00 C ATOM 1189 C GLY A 78 -6.349 -4.008 -7.416 1.00 0.00 C ATOM 1190 O GLY A 78 -5.893 -4.974 -6.784 1.00 0.00 O ATOM 0 H GLY A 78 -7.568 -1.650 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.896 -3.187 -6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.451 -4.394 -7.331 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.650 -3.320 -8.290 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.274 -3.650 -8.610 1.00 0.00 C ATOM 1196 C GLU A 79 -3.370 -3.687 -7.380 1.00 0.00 C ATOM 1197 O GLU A 79 -3.692 -3.129 -6.328 1.00 0.00 O ATOM 1198 CB GLU A 79 -3.699 -2.613 -9.570 1.00 0.00 C ATOM 1199 CG GLU A 79 -4.242 -2.769 -10.991 1.00 0.00 C ATOM 1200 CD GLU A 79 -3.646 -1.686 -11.898 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -2.645 -1.090 -11.524 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -4.196 -1.457 -12.940 1.00 0.00 O ATOM 0 H GLU A 79 -6.016 -2.516 -8.800 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.297 -4.644 -9.057 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.932 -1.614 -9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.613 -2.701 -9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.994 -3.757 -11.378 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.329 -2.693 -10.985 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.138 -4.112 -7.642 1.00 0.00 N ATOM 1210 CA VAL A 80 -1.030 -3.988 -6.716 1.00 0.00 C ATOM 1211 C VAL A 80 -0.139 -2.886 -7.275 1.00 0.00 C ATOM 1212 O VAL A 80 0.057 -2.808 -8.501 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.231 -5.307 -6.659 1.00 0.00 C ATOM 1214 CG1 VAL A 80 1.074 -5.102 -5.887 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -1.049 -6.403 -5.973 1.00 0.00 C ATOM 0 H VAL A 80 -1.882 -4.560 -8.522 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.381 -3.763 -5.709 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.008 -5.611 -7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.628 -6.040 -5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.676 -4.342 -6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.849 -4.778 -4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.469 -7.325 -5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.292 -6.093 -4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.970 -6.572 -6.531 1.00 0.00 H new ATOM 1225 N SER A 81 0.264 -1.963 -6.436 1.00 0.00 N ATOM 1226 CA SER A 81 0.977 -0.799 -6.906 1.00 0.00 C ATOM 1227 C SER A 81 2.317 -1.155 -7.462 1.00 0.00 C ATOM 1228 O SER A 81 2.920 -2.167 -7.084 1.00 0.00 O ATOM 1229 CB SER A 81 1.145 0.241 -5.794 1.00 0.00 C ATOM 1230 OG SER A 81 1.965 -0.290 -4.757 1.00 0.00 O ATOM 0 H SER A 81 0.112 -1.994 -5.428 1.00 0.00 H new ATOM 0 HA SER A 81 0.374 -0.369 -7.705 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.595 1.148 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.170 0.519 -5.393 1.00 0.00 H new ATOM 0 HG SER A 81 2.908 -0.127 -4.970 1.00 0.00 H new ATOM 1236 N GLU A 82 2.854 -0.227 -8.201 1.00 0.00 N ATOM 1237 CA GLU A 82 4.216 -0.288 -8.604 1.00 0.00 C ATOM 1238 C GLU A 82 5.027 0.164 -7.405 1.00 0.00 C ATOM 1239 O GLU A 82 4.471 0.792 -6.491 1.00 0.00 O ATOM 1240 CB GLU A 82 4.441 0.658 -9.790 1.00 0.00 C ATOM 1241 CG GLU A 82 3.365 0.401 -10.862 1.00 0.00 C ATOM 1242 CD GLU A 82 2.049 1.069 -10.488 1.00 0.00 C ATOM 1243 OE1 GLU A 82 1.979 2.271 -10.533 1.00 0.00 O ATOM 1244 OE2 GLU A 82 1.125 0.369 -10.161 1.00 0.00 O ATOM 0 H GLU A 82 2.351 0.594 -8.539 1.00 0.00 H new ATOM 0 HA GLU A 82 4.505 -1.291 -8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.397 1.695 -9.456 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.434 0.501 -10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.708 0.780 -11.825 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.212 -0.672 -10.978 1.00 0.00 H new ATOM 1251 N PRO A 83 6.285 -0.133 -7.350 1.00 0.00 N ATOM 1252 CA PRO A 83 7.085 0.282 -6.169 1.00 0.00 C ATOM 1253 C PRO A 83 6.996 1.790 -5.991 1.00 0.00 C ATOM 1254 O PRO A 83 7.139 2.544 -6.962 1.00 0.00 O ATOM 1255 CB PRO A 83 8.514 -0.130 -6.542 1.00 0.00 C ATOM 1256 CG PRO A 83 8.346 -1.266 -7.494 1.00 0.00 C ATOM 1257 CD PRO A 83 7.055 -0.989 -8.269 1.00 0.00 C ATOM 0 HA PRO A 83 6.746 -0.167 -5.236 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.056 0.696 -7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.081 -0.432 -5.662 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.198 -1.336 -8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.284 -2.214 -6.961 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.254 -0.486 -9.215 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.521 -1.910 -8.503 1.00 0.00 H new ATOM 1265 N VAL A 84 6.764 2.231 -4.768 1.00 0.00 N ATOM 1266 CA VAL A 84 6.650 3.653 -4.490 1.00 0.00 C ATOM 1267 C VAL A 84 7.738 4.076 -3.536 1.00 0.00 C ATOM 1268 O VAL A 84 7.829 3.550 -2.438 1.00 0.00 O ATOM 1269 CB VAL A 84 5.273 3.938 -3.870 1.00 0.00 C ATOM 1270 CG1 VAL A 84 5.220 5.353 -3.274 1.00 0.00 C ATOM 1271 CG2 VAL A 84 4.195 3.792 -4.937 1.00 0.00 C ATOM 0 H VAL A 84 6.651 1.628 -3.953 1.00 0.00 H new ATOM 0 HA VAL A 84 6.755 4.216 -5.418 1.00 0.00 H new ATOM 0 HB VAL A 84 5.100 3.221 -3.068 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.235 5.529 -2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.979 5.450 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.408 6.086 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.218 3.994 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.383 4.500 -5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.211 2.777 -5.334 1.00 0.00 H new ATOM 1281 N LYS A 85 8.503 5.078 -3.923 1.00 0.00 N ATOM 1282 CA LYS A 85 9.532 5.605 -3.054 1.00 0.00 C ATOM 1283 C LYS A 85 8.960 6.699 -2.181 1.00 0.00 C ATOM 1284 O LYS A 85 8.165 7.525 -2.638 1.00 0.00 O ATOM 1285 CB LYS A 85 10.724 6.133 -3.861 1.00 0.00 C ATOM 1286 CG LYS A 85 11.796 6.702 -2.910 1.00 0.00 C ATOM 1287 CD LYS A 85 12.363 5.580 -2.022 1.00 0.00 C ATOM 1288 CE LYS A 85 13.536 6.114 -1.195 1.00 0.00 C ATOM 1289 NZ LYS A 85 13.066 7.189 -0.280 1.00 0.00 N ATOM 0 H LYS A 85 8.431 5.540 -4.829 1.00 0.00 H new ATOM 0 HA LYS A 85 9.892 4.794 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.150 5.330 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.391 6.908 -4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.599 7.161 -3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.363 7.485 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.585 5.198 -1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.693 4.746 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.984 5.304 -0.619 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.311 6.501 -1.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.675 7.219 0.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.108 8.105 -0.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.086 6.995 0.009 1.00 0.00 H new ATOM 1303 N SER A 86 9.328 6.682 -0.928 1.00 0.00 N ATOM 1304 CA SER A 86 8.849 7.645 0.027 1.00 0.00 C ATOM 1305 C SER A 86 9.975 8.034 0.954 1.00 0.00 C ATOM 1306 O SER A 86 11.039 7.398 0.958 1.00 0.00 O ATOM 1307 CB SER A 86 7.707 7.041 0.849 1.00 0.00 C ATOM 1308 OG SER A 86 8.257 6.248 1.902 1.00 0.00 O ATOM 0 H SER A 86 9.973 5.995 -0.538 1.00 0.00 H new ATOM 0 HA SER A 86 8.486 8.525 -0.504 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.082 7.832 1.262 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.068 6.429 0.212 1.00 0.00 H new ATOM 0 HG SER A 86 7.569 5.643 2.250 1.00 0.00 H new ATOM 1314 N GLU A 87 9.696 8.986 1.817 1.00 0.00 N ATOM 1315 CA GLU A 87 10.612 9.362 2.866 1.00 0.00 C ATOM 1316 C GLU A 87 10.865 8.135 3.738 1.00 0.00 C ATOM 1317 O GLU A 87 12.000 7.856 4.137 1.00 0.00 O ATOM 1318 CB GLU A 87 9.963 10.477 3.696 1.00 0.00 C ATOM 1319 CG GLU A 87 10.885 10.932 4.831 1.00 0.00 C ATOM 1320 CD GLU A 87 10.243 12.073 5.601 1.00 0.00 C ATOM 1321 OE1 GLU A 87 9.362 12.710 5.066 1.00 0.00 O ATOM 1322 OE2 GLU A 87 10.644 12.300 6.712 1.00 0.00 O ATOM 0 H GLU A 87 8.827 9.520 1.810 1.00 0.00 H new ATOM 0 HA GLU A 87 11.557 9.720 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.730 11.325 3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.019 10.123 4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.086 10.098 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.844 11.252 4.424 1.00 0.00 H new ATOM 1329 N PHE A 88 9.802 7.381 3.975 1.00 0.00 N ATOM 1330 CA PHE A 88 9.868 6.142 4.741 1.00 0.00 C ATOM 1331 C PHE A 88 10.703 5.066 4.044 1.00 0.00 C ATOM 1332 O PHE A 88 11.447 4.334 4.699 1.00 0.00 O ATOM 1333 CB PHE A 88 8.456 5.617 5.019 1.00 0.00 C ATOM 1334 CG PHE A 88 7.885 6.310 6.234 1.00 0.00 C ATOM 1335 CD1 PHE A 88 7.495 7.652 6.162 1.00 0.00 C ATOM 1336 CD2 PHE A 88 7.753 5.610 7.439 1.00 0.00 C ATOM 1337 CE1 PHE A 88 6.976 8.293 7.293 1.00 0.00 C ATOM 1338 CE2 PHE A 88 7.235 6.248 8.570 1.00 0.00 C ATOM 1339 CZ PHE A 88 6.847 7.589 8.496 1.00 0.00 C ATOM 0 H PHE A 88 8.866 7.610 3.641 1.00 0.00 H new ATOM 0 HA PHE A 88 10.365 6.373 5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.816 5.792 4.154 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.484 4.540 5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.595 8.194 5.233 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.052 4.574 7.495 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.676 9.329 7.238 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.135 5.706 9.499 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.447 8.083 9.369 1.00 0.00 H new ATOM 1349 N GLY A 89 10.526 4.928 2.741 1.00 0.00 N ATOM 1350 CA GLY A 89 11.213 3.882 1.976 1.00 0.00 C ATOM 1351 C GLY A 89 10.405 3.514 0.750 1.00 0.00 C ATOM 1352 O GLY A 89 9.842 4.391 0.097 1.00 0.00 O ATOM 0 H GLY A 89 9.914 5.524 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.202 4.230 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.360 3.001 2.601 1.00 0.00 H new ATOM 1356 N TYR A 90 10.302 2.221 0.458 1.00 0.00 N ATOM 1357 CA TYR A 90 9.510 1.763 -0.679 1.00 0.00 C ATOM 1358 C TYR A 90 8.196 1.147 -0.243 1.00 0.00 C ATOM 1359 O TYR A 90 8.166 0.308 0.647 1.00 0.00 O ATOM 1360 CB TYR A 90 10.293 0.782 -1.555 1.00 0.00 C ATOM 1361 CG TYR A 90 10.933 1.524 -2.701 1.00 0.00 C ATOM 1362 CD1 TYR A 90 10.169 1.835 -3.829 1.00 0.00 C ATOM 1363 CD2 TYR A 90 12.278 1.894 -2.643 1.00 0.00 C ATOM 1364 CE1 TYR A 90 10.745 2.515 -4.893 1.00 0.00 C ATOM 1365 CE2 TYR A 90 12.857 2.577 -3.714 1.00 0.00 C ATOM 1366 CZ TYR A 90 12.085 2.887 -4.841 1.00 0.00 C ATOM 1367 OH TYR A 90 12.648 3.558 -5.904 1.00 0.00 O ATOM 0 H TYR A 90 10.754 1.476 0.989 1.00 0.00 H new ATOM 0 HA TYR A 90 9.284 2.647 -1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 90 11.057 0.280 -0.962 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.627 0.008 -1.937 1.00 0.00 H new ATOM 0 HD1 TYR A 90 9.129 1.546 -3.873 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.869 1.652 -1.772 1.00 0.00 H new ATOM 0 HE1 TYR A 90 10.152 2.756 -5.763 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.897 2.866 -3.674 1.00 0.00 H new ATOM 0 HH TYR A 90 12.634 2.984 -6.698 1.00 0.00 H new ATOM 1377 N HIS A 91 7.115 1.548 -0.892 1.00 0.00 N ATOM 1378 CA HIS A 91 5.792 1.032 -0.571 1.00 0.00 C ATOM 1379 C HIS A 91 5.223 0.226 -1.714 1.00 0.00 C ATOM 1380 O HIS A 91 5.249 0.674 -2.869 1.00 0.00 O ATOM 1381 CB HIS A 91 4.812 2.172 -0.270 1.00 0.00 C ATOM 1382 CG HIS A 91 5.308 3.013 0.862 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.744 2.953 2.121 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.297 3.952 0.940 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.390 3.836 2.902 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.349 4.471 2.229 1.00 0.00 N ATOM 0 H HIS A 91 7.127 2.233 -1.648 1.00 0.00 H new ATOM 0 HA HIS A 91 5.913 0.398 0.307 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.682 2.790 -1.158 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.834 1.761 -0.022 1.00 0.00 H new ATOM 0 HD1 HIS A 91 3.975 2.347 2.407 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.941 4.247 0.124 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.161 4.009 3.943 1.00 0.00 H new ATOM 1394 N VAL A 92 4.541 -0.847 -1.362 1.00 0.00 N ATOM 1395 CA VAL A 92 3.718 -1.592 -2.290 1.00 0.00 C ATOM 1396 C VAL A 92 2.280 -1.518 -1.775 1.00 0.00 C ATOM 1397 O VAL A 92 2.044 -1.697 -0.580 1.00 0.00 O ATOM 1398 CB VAL A 92 4.198 -3.054 -2.367 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.195 -3.905 -3.157 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.567 -3.102 -3.055 1.00 0.00 C ATOM 0 H VAL A 92 4.544 -1.228 -0.416 1.00 0.00 H new ATOM 0 HA VAL A 92 3.783 -1.175 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 92 4.278 -3.455 -1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.548 -4.935 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.224 -3.876 -2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.099 -3.509 -4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.910 -4.135 -3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.483 -2.692 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.283 -2.513 -2.482 1.00 0.00 H new ATOM 1410 N ILE A 93 1.363 -1.127 -2.628 1.00 0.00 N ATOM 1411 CA ILE A 93 -0.011 -0.886 -2.216 1.00 0.00 C ATOM 1412 C ILE A 93 -0.966 -1.773 -2.987 1.00 0.00 C ATOM 1413 O ILE A 93 -1.002 -1.715 -4.207 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.383 0.583 -2.487 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.525 1.524 -1.696 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.841 0.842 -2.088 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.294 2.958 -2.183 1.00 0.00 C ATOM 0 H ILE A 93 1.540 -0.966 -3.620 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.090 -1.109 -1.152 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.255 0.773 -3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.310 1.448 -0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.569 1.243 -1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.092 1.884 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.498 0.195 -2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.971 0.631 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.937 3.639 -1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.530 3.024 -3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.749 3.232 -2.025 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.858 -2.433 -2.283 1.00 0.00 N ATOM 1430 CA LYS A 94 -2.975 -3.086 -2.935 1.00 0.00 C ATOM 1431 C LYS A 94 -4.255 -2.436 -2.477 1.00 0.00 C ATOM 1432 O LYS A 94 -4.321 -1.902 -1.364 1.00 0.00 O ATOM 1433 CB LYS A 94 -3.023 -4.596 -2.692 1.00 0.00 C ATOM 1434 CG LYS A 94 -3.828 -5.231 -3.842 1.00 0.00 C ATOM 1435 CD LYS A 94 -3.809 -6.756 -3.741 1.00 0.00 C ATOM 1436 CE LYS A 94 -4.502 -7.348 -4.984 1.00 0.00 C ATOM 1437 NZ LYS A 94 -5.869 -6.778 -5.125 1.00 0.00 N ATOM 0 H LYS A 94 -1.835 -2.533 -1.268 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.846 -2.963 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.015 -5.010 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.491 -4.814 -1.732 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.857 -4.873 -3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.410 -4.920 -4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.782 -7.116 -3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.320 -7.080 -2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.915 -7.130 -5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.559 -8.433 -4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.506 -7.498 -5.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.219 -6.481 -4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.838 -5.956 -5.761 1.00 0.00 H new ATOM 1451 N ARG A 95 -5.240 -2.393 -3.342 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.469 -1.705 -3.009 1.00 0.00 C ATOM 1453 C ARG A 95 -7.319 -2.560 -2.083 1.00 0.00 C ATOM 1454 O ARG A 95 -7.380 -3.785 -2.226 1.00 0.00 O ATOM 1455 CB ARG A 95 -7.276 -1.357 -4.261 1.00 0.00 C ATOM 1456 CG ARG A 95 -7.897 0.040 -4.103 1.00 0.00 C ATOM 1457 CD ARG A 95 -9.300 0.043 -4.690 1.00 0.00 C ATOM 1458 NE ARG A 95 -10.183 -0.778 -3.864 1.00 0.00 N ATOM 1459 CZ ARG A 95 -11.197 -1.470 -4.381 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.446 -1.421 -5.660 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -11.945 -2.186 -3.596 1.00 0.00 N ATOM 0 H ARG A 95 -5.219 -2.819 -4.269 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.197 -0.777 -2.506 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.632 -1.382 -5.140 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.059 -2.098 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.932 0.317 -3.049 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.279 0.783 -4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.680 1.063 -4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.279 -0.342 -5.710 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.017 -0.823 -2.859 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.863 -0.850 -6.272 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.224 -1.954 -6.049 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.753 -2.214 -2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.724 -2.720 -3.981 1.00 0.00 H new ATOM 1475 N LEU A 96 -7.985 -1.908 -1.161 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.859 -2.565 -0.216 1.00 0.00 C ATOM 1477 C LEU A 96 -10.293 -2.400 -0.671 1.00 0.00 C ATOM 1478 O LEU A 96 -10.634 -1.419 -1.345 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.677 -1.973 1.193 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.681 -2.602 2.171 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -9.327 -4.071 2.410 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -9.641 -1.846 3.498 1.00 0.00 C ATOM 0 H LEU A 96 -7.936 -0.896 -1.043 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.608 -3.625 -0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.660 -2.152 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.818 -0.893 1.162 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.682 -2.541 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.044 -4.510 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.361 -4.612 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.324 -4.140 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -10.353 -2.292 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.638 -1.904 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.904 -0.802 3.330 1.00 0.00 H new ATOM 1494 N GLY A 97 -11.097 -3.406 -0.421 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.475 -3.398 -0.852 1.00 0.00 C ATOM 1496 C GLY A 97 -13.369 -3.974 0.214 1.00 0.00 C ATOM 1497 O GLY A 97 -13.046 -5.015 0.732 1.00 0.00 O ATOM 1498 OXT GLY A 97 -14.351 -3.359 0.512 1.00 0.00 O ATOM 0 H GLY A 97 -10.817 -4.247 0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.784 -2.378 -1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.577 -3.976 -1.771 1.00 0.00 H new