USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 706 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 144:sc= 0.356 (180deg=-0.0853) USER MOD Single : A 12 CYS SG : rot 160:sc= -10.6! USER MOD Single : A 13 SER OG : rot 58:sc= 0.511 USER MOD Single : A 14 HIS : no HE2:sc= -5.15! C(o=-5.1!,f=-7.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.679 X(o=-0.68,f=-1.1!) USER MOD Single : A 27 GLN : amide:sc= -0.702 K(o=-0.7,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -125:sc= -0.0816 (180deg=-0.494) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -120:sc= -2.08! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -104:sc= 1.69 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 167:sc= -0.147 (180deg=-0.886) USER MOD Single : A 66 LYS NZ :NH3+ 147:sc= -0.201 (180deg=-1.1) USER MOD Single : A 76 GLN : amide:sc= -0.307 K(o=-0.31,f=-2.5!) USER MOD Single : A 81 SER OG : rot -100:sc= -0.713 USER MOD Single : A 85 LYS NZ :NH3+ -120:sc= 0.796 (180deg=-0.0145) USER MOD Single : A 86 SER OG : rot 170:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -3.75! C(o=-3.7!,f=-8.1!) USER MOD Single : A 94 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0249) USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 7.699 8.409 0.926 1.00 0.00 N ATOM 99 CA LYS A 9 6.622 7.584 0.423 1.00 0.00 C ATOM 100 C LYS A 9 6.315 6.432 1.357 1.00 0.00 C ATOM 101 O LYS A 9 7.079 6.124 2.271 1.00 0.00 O ATOM 102 CB LYS A 9 7.010 7.019 -0.934 1.00 0.00 C ATOM 103 CG LYS A 9 7.078 8.052 -2.038 1.00 0.00 C ATOM 104 CD LYS A 9 8.382 8.828 -2.006 1.00 0.00 C ATOM 105 CE LYS A 9 8.245 10.128 -1.237 1.00 0.00 C ATOM 106 NZ LYS A 9 8.152 11.305 -2.141 1.00 0.00 N ATOM 0 HA LYS A 9 5.734 8.211 0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.981 6.531 -0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.290 6.250 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.973 7.559 -3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.241 8.744 -1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.159 8.215 -1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.703 9.041 -3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.357 10.084 -0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.101 10.248 -0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.060 12.172 -1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.011 11.363 -2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.320 11.204 -2.757 1.00 0.00 H new ATOM 120 N ILE A 10 5.194 5.781 1.090 1.00 0.00 N ATOM 121 CA ILE A 10 4.772 4.634 1.869 1.00 0.00 C ATOM 122 C ILE A 10 4.869 3.397 1.007 1.00 0.00 C ATOM 123 O ILE A 10 4.547 3.424 -0.181 1.00 0.00 O ATOM 124 CB ILE A 10 3.330 4.764 2.409 1.00 0.00 C ATOM 125 CG1 ILE A 10 2.805 6.183 2.222 1.00 0.00 C ATOM 126 CG2 ILE A 10 3.278 4.368 3.877 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.339 6.325 2.559 1.00 0.00 C ATOM 0 H ILE A 10 4.558 6.032 0.333 1.00 0.00 H new ATOM 0 HA ILE A 10 5.431 4.569 2.735 1.00 0.00 H new ATOM 0 HB ILE A 10 2.691 4.088 1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.383 6.863 2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.965 6.489 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.256 4.465 4.244 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.607 3.335 3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.934 5.021 4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.029 7.358 2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.752 5.670 1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.177 6.049 3.601 1.00 0.00 H new ATOM 139 N LYS A 11 5.332 2.326 1.601 1.00 0.00 N ATOM 140 CA LYS A 11 5.498 1.079 0.881 1.00 0.00 C ATOM 141 C LYS A 11 4.476 0.054 1.342 1.00 0.00 C ATOM 142 O LYS A 11 4.659 -0.611 2.359 1.00 0.00 O ATOM 143 CB LYS A 11 6.926 0.573 1.061 1.00 0.00 C ATOM 144 CG LYS A 11 7.973 1.671 0.888 1.00 0.00 C ATOM 145 CD LYS A 11 9.089 1.544 1.913 1.00 0.00 C ATOM 146 CE LYS A 11 10.320 0.879 1.315 1.00 0.00 C ATOM 147 NZ LYS A 11 11.531 1.736 1.446 1.00 0.00 N ATOM 0 H LYS A 11 5.603 2.288 2.584 1.00 0.00 H new ATOM 0 HA LYS A 11 5.326 1.248 -0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.028 0.134 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.118 -0.222 0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.393 1.620 -0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.498 2.647 0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.354 2.532 2.289 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.738 0.963 2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.495 -0.075 1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.140 0.662 0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.363 1.137 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.672 2.274 0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.405 2.396 2.240 1.00 0.00 H new ATOM 161 N CYS A 12 3.385 -0.039 0.589 1.00 0.00 N ATOM 162 CA CYS A 12 2.299 -0.951 0.908 1.00 0.00 C ATOM 163 C CYS A 12 1.891 -1.755 -0.326 1.00 0.00 C ATOM 164 O CYS A 12 2.457 -1.583 -1.402 1.00 0.00 O ATOM 165 CB CYS A 12 1.108 -0.144 1.446 1.00 0.00 C ATOM 166 SG CYS A 12 0.020 -1.036 2.578 1.00 0.00 S ATOM 0 H CYS A 12 3.232 0.514 -0.255 1.00 0.00 H new ATOM 0 HA CYS A 12 2.631 -1.656 1.670 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.490 0.740 1.956 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.516 0.207 0.600 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.667 -0.185 3.281 1.00 0.00 H new ATOM 172 N SER A 13 0.909 -2.632 -0.158 1.00 0.00 N ATOM 173 CA SER A 13 0.409 -3.459 -1.251 1.00 0.00 C ATOM 174 C SER A 13 -1.105 -3.315 -1.352 1.00 0.00 C ATOM 175 O SER A 13 -1.746 -2.844 -0.415 1.00 0.00 O ATOM 176 CB SER A 13 0.786 -4.926 -1.028 1.00 0.00 C ATOM 177 OG SER A 13 -0.015 -5.785 -1.822 1.00 0.00 O ATOM 0 H SER A 13 0.439 -2.790 0.733 1.00 0.00 H new ATOM 0 HA SER A 13 0.864 -3.125 -2.183 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.838 -5.076 -1.272 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.664 -5.180 0.025 1.00 0.00 H new ATOM 0 HG SER A 13 0.083 -5.543 -2.767 1.00 0.00 H new ATOM 183 N HIS A 14 -1.682 -3.706 -2.485 1.00 0.00 N ATOM 184 CA HIS A 14 -3.127 -3.588 -2.664 1.00 0.00 C ATOM 185 C HIS A 14 -3.749 -4.851 -3.254 1.00 0.00 C ATOM 186 O HIS A 14 -3.123 -5.569 -4.035 1.00 0.00 O ATOM 187 CB HIS A 14 -3.461 -2.375 -3.536 1.00 0.00 C ATOM 188 CG HIS A 14 -3.000 -2.490 -4.959 1.00 0.00 C ATOM 189 ND1 HIS A 14 -2.304 -3.575 -5.448 1.00 0.00 N ATOM 190 CD2 HIS A 14 -3.147 -1.638 -6.002 1.00 0.00 C ATOM 191 CE1 HIS A 14 -2.042 -3.384 -6.731 1.00 0.00 C ATOM 192 NE2 HIS A 14 -2.544 -2.217 -7.090 1.00 0.00 N ATOM 0 H HIS A 14 -1.182 -4.101 -3.281 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.559 -3.450 -1.673 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.540 -2.223 -3.528 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.010 -1.488 -3.091 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -2.034 -4.396 -4.906 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.646 -0.681 -5.981 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.508 -4.067 -7.375 1.00 0.00 H new ATOM 201 N ILE A 15 -4.999 -5.100 -2.872 1.00 0.00 N ATOM 202 CA ILE A 15 -5.754 -6.257 -3.344 1.00 0.00 C ATOM 203 C ILE A 15 -7.230 -5.886 -3.487 1.00 0.00 C ATOM 204 O ILE A 15 -7.815 -5.286 -2.583 1.00 0.00 O ATOM 205 CB ILE A 15 -5.601 -7.460 -2.379 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.188 -8.037 -2.474 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.633 -8.543 -2.672 1.00 0.00 C ATOM 208 CD1 ILE A 15 -3.183 -7.336 -1.585 1.00 0.00 C ATOM 0 H ILE A 15 -5.517 -4.505 -2.226 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.356 -6.552 -4.315 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.773 -7.100 -1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.218 -9.094 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.849 -7.977 -3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.498 -9.372 -1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.636 -8.131 -2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.505 -8.901 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.204 -7.800 -1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.123 -6.284 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.497 -7.419 -0.545 1.00 0.00 H new ATOM 220 N LEU A 16 -7.824 -6.220 -4.629 1.00 0.00 N ATOM 221 CA LEU A 16 -9.225 -5.891 -4.880 1.00 0.00 C ATOM 222 C LEU A 16 -10.059 -7.126 -5.206 1.00 0.00 C ATOM 223 O LEU A 16 -9.672 -7.950 -6.029 1.00 0.00 O ATOM 224 CB LEU A 16 -9.329 -4.897 -6.040 1.00 0.00 C ATOM 225 CG LEU A 16 -9.706 -3.472 -5.643 1.00 0.00 C ATOM 226 CD1 LEU A 16 -9.474 -2.520 -6.805 1.00 0.00 C ATOM 227 CD2 LEU A 16 -11.154 -3.413 -5.183 1.00 0.00 C ATOM 0 H LEU A 16 -7.361 -6.715 -5.391 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.619 -5.450 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.372 -4.871 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.069 -5.267 -6.750 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.070 -3.163 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.747 -1.508 -6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.422 -2.543 -7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.086 -2.826 -7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.406 -2.390 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.807 -3.739 -5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.289 -4.068 -4.322 1.00 0.00 H new ATOM 239 N VAL A 17 -11.220 -7.229 -4.567 1.00 0.00 N ATOM 240 CA VAL A 17 -12.130 -8.341 -4.805 1.00 0.00 C ATOM 241 C VAL A 17 -13.573 -7.916 -4.567 1.00 0.00 C ATOM 242 O VAL A 17 -13.876 -7.262 -3.570 1.00 0.00 O ATOM 243 CB VAL A 17 -11.833 -9.540 -3.894 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.492 -10.169 -4.235 1.00 0.00 C ATOM 245 CG2 VAL A 17 -11.886 -9.120 -2.437 1.00 0.00 C ATOM 0 H VAL A 17 -11.552 -6.553 -3.879 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.983 -8.638 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.600 -10.296 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.309 -11.016 -3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.504 -10.513 -5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.701 -9.430 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.673 -9.980 -1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.144 -8.343 -2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -12.879 -8.735 -2.205 1.00 0.00 H new ATOM 255 N LYS A 18 -14.465 -8.311 -5.465 1.00 0.00 N ATOM 256 CA LYS A 18 -15.874 -7.980 -5.314 1.00 0.00 C ATOM 257 C LYS A 18 -16.436 -8.670 -4.073 1.00 0.00 C ATOM 258 O LYS A 18 -17.483 -8.286 -3.553 1.00 0.00 O ATOM 259 CB LYS A 18 -16.663 -8.397 -6.559 1.00 0.00 C ATOM 260 CG LYS A 18 -15.974 -8.039 -7.865 1.00 0.00 C ATOM 261 CD LYS A 18 -15.237 -9.233 -8.453 1.00 0.00 C ATOM 262 CE LYS A 18 -16.035 -9.887 -9.569 1.00 0.00 C ATOM 263 NZ LYS A 18 -16.922 -10.968 -9.059 1.00 0.00 N ATOM 0 H LYS A 18 -14.241 -8.856 -6.298 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.971 -6.901 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.830 -9.474 -6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.644 -7.922 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.713 -7.678 -8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.271 -7.224 -7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.269 -8.911 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.041 -9.964 -7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.637 -9.132 -10.075 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.351 -10.299 -10.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.448 -11.388 -9.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.346 -11.701 -8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.592 -10.571 -8.370 1.00 0.00 H new ATOM 277 N LYS A 19 -15.711 -9.682 -3.599 1.00 0.00 N ATOM 278 CA LYS A 19 -16.090 -10.426 -2.424 1.00 0.00 C ATOM 279 C LYS A 19 -15.875 -9.568 -1.181 1.00 0.00 C ATOM 280 O LYS A 19 -14.873 -9.705 -0.480 1.00 0.00 O ATOM 281 CB LYS A 19 -15.228 -11.680 -2.362 1.00 0.00 C ATOM 282 CG LYS A 19 -15.991 -12.957 -2.073 1.00 0.00 C ATOM 283 CD LYS A 19 -17.122 -12.739 -1.078 1.00 0.00 C ATOM 284 CE LYS A 19 -17.395 -13.992 -0.262 1.00 0.00 C ATOM 285 NZ LYS A 19 -18.158 -15.007 -1.039 1.00 0.00 N ATOM 0 H LYS A 19 -14.843 -10.001 -4.029 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.143 -10.703 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.704 -11.792 -3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.468 -11.545 -1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.399 -13.353 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -15.304 -13.708 -1.681 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.867 -11.917 -0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.026 -12.447 -1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.450 -14.423 0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.954 -13.726 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.323 -15.846 -0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.071 -14.605 -1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.613 -15.280 -1.882 1.00 0.00 H new ATOM 299 N GLN A 20 -16.804 -8.654 -0.941 1.00 0.00 N ATOM 300 CA GLN A 20 -16.710 -7.732 0.188 1.00 0.00 C ATOM 301 C GLN A 20 -16.350 -8.434 1.494 1.00 0.00 C ATOM 302 O GLN A 20 -15.549 -7.919 2.275 1.00 0.00 O ATOM 303 CB GLN A 20 -18.026 -6.974 0.357 1.00 0.00 C ATOM 304 CG GLN A 20 -18.556 -6.375 -0.936 1.00 0.00 C ATOM 305 CD GLN A 20 -19.759 -7.125 -1.477 1.00 0.00 C ATOM 306 OE1 GLN A 20 -19.618 -8.078 -2.243 1.00 0.00 O ATOM 307 NE2 GLN A 20 -20.951 -6.697 -1.078 1.00 0.00 N ATOM 0 H GLN A 20 -17.637 -8.529 -1.515 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.903 -7.035 -0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -18.775 -7.651 0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.884 -6.176 1.086 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -18.829 -5.334 -0.765 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -17.764 -6.378 -1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -21.021 -5.903 -0.442 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.797 -7.163 -1.408 1.00 0.00 H new ATOM 316 N GLY A 21 -16.943 -9.593 1.743 1.00 0.00 N ATOM 317 CA GLY A 21 -16.655 -10.304 2.973 1.00 0.00 C ATOM 318 C GLY A 21 -15.246 -10.847 3.022 1.00 0.00 C ATOM 319 O GLY A 21 -14.644 -10.936 4.092 1.00 0.00 O ATOM 0 H GLY A 21 -17.612 -10.050 1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.811 -9.634 3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.360 -11.127 3.084 1.00 0.00 H new ATOM 323 N GLU A 22 -14.713 -11.200 1.864 1.00 0.00 N ATOM 324 CA GLU A 22 -13.362 -11.727 1.783 1.00 0.00 C ATOM 325 C GLU A 22 -12.346 -10.665 2.182 1.00 0.00 C ATOM 326 O GLU A 22 -11.410 -10.929 2.936 1.00 0.00 O ATOM 327 CB GLU A 22 -13.092 -12.233 0.365 1.00 0.00 C ATOM 328 CG GLU A 22 -12.377 -11.248 -0.531 1.00 0.00 C ATOM 329 CD GLU A 22 -10.875 -11.271 -0.335 1.00 0.00 C ATOM 330 OE1 GLU A 22 -10.253 -12.306 -0.650 1.00 0.00 O ATOM 331 OE2 GLU A 22 -10.321 -10.250 0.125 1.00 0.00 O ATOM 0 H GLU A 22 -15.195 -11.131 0.968 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.263 -12.560 2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.498 -13.145 0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.042 -12.501 -0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.608 -11.474 -1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.751 -10.243 -0.333 1.00 0.00 H new ATOM 338 N ALA A 23 -12.550 -9.460 1.669 1.00 0.00 N ATOM 339 CA ALA A 23 -11.668 -8.335 1.961 1.00 0.00 C ATOM 340 C ALA A 23 -11.408 -8.242 3.463 1.00 0.00 C ATOM 341 O ALA A 23 -10.287 -7.988 3.901 1.00 0.00 O ATOM 342 CB ALA A 23 -12.278 -7.039 1.441 1.00 0.00 C ATOM 0 H ALA A 23 -13.324 -9.234 1.044 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.715 -8.495 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.610 -6.207 1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.419 -7.110 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.241 -6.871 1.923 1.00 0.00 H new ATOM 348 N LEU A 24 -12.462 -8.469 4.242 1.00 0.00 N ATOM 349 CA LEU A 24 -12.381 -8.437 5.698 1.00 0.00 C ATOM 350 C LEU A 24 -11.647 -9.663 6.233 1.00 0.00 C ATOM 351 O LEU A 24 -11.045 -9.620 7.302 1.00 0.00 O ATOM 352 CB LEU A 24 -13.783 -8.364 6.307 1.00 0.00 C ATOM 353 CG LEU A 24 -13.882 -7.581 7.617 1.00 0.00 C ATOM 354 CD1 LEU A 24 -13.169 -8.318 8.740 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.307 -6.184 7.448 1.00 0.00 C ATOM 0 H LEU A 24 -13.393 -8.680 3.883 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.820 -7.547 5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.455 -7.910 5.579 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.140 -9.379 6.481 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.936 -7.491 7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.252 -7.743 9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.626 -9.297 8.880 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.117 -8.442 8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.386 -5.642 8.390 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.259 -6.255 7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.863 -5.653 6.676 1.00 0.00 H new ATOM 367 N ALA A 25 -11.734 -10.765 5.496 1.00 0.00 N ATOM 368 CA ALA A 25 -11.100 -12.013 5.905 1.00 0.00 C ATOM 369 C ALA A 25 -9.612 -12.048 5.556 1.00 0.00 C ATOM 370 O ALA A 25 -8.790 -12.476 6.365 1.00 0.00 O ATOM 371 CB ALA A 25 -11.814 -13.190 5.258 1.00 0.00 C ATOM 0 H ALA A 25 -12.238 -10.819 4.611 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.180 -12.082 6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.336 -14.120 5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.859 -13.198 5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.760 -13.097 4.173 1.00 0.00 H new ATOM 377 N VAL A 26 -9.275 -11.615 4.344 1.00 0.00 N ATOM 378 CA VAL A 26 -7.887 -11.624 3.892 1.00 0.00 C ATOM 379 C VAL A 26 -6.979 -10.809 4.801 1.00 0.00 C ATOM 380 O VAL A 26 -5.795 -11.102 4.911 1.00 0.00 O ATOM 381 CB VAL A 26 -7.741 -11.105 2.450 1.00 0.00 C ATOM 382 CG1 VAL A 26 -8.655 -11.872 1.513 1.00 0.00 C ATOM 383 CG2 VAL A 26 -8.014 -9.610 2.381 1.00 0.00 C ATOM 0 H VAL A 26 -9.941 -11.255 3.660 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.579 -12.669 3.927 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.712 -11.269 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.538 -11.491 0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.394 -12.930 1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.690 -11.746 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.905 -9.267 1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.029 -9.409 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.304 -9.081 3.017 1.00 0.00 H new ATOM 393 N GLN A 27 -7.515 -9.783 5.449 1.00 0.00 N ATOM 394 CA GLN A 27 -6.696 -8.963 6.332 1.00 0.00 C ATOM 395 C GLN A 27 -6.008 -9.845 7.376 1.00 0.00 C ATOM 396 O GLN A 27 -4.786 -9.817 7.518 1.00 0.00 O ATOM 397 CB GLN A 27 -7.534 -7.863 6.998 1.00 0.00 C ATOM 398 CG GLN A 27 -8.628 -8.384 7.911 1.00 0.00 C ATOM 399 CD GLN A 27 -9.424 -7.273 8.569 1.00 0.00 C ATOM 400 OE1 GLN A 27 -9.730 -7.338 9.761 1.00 0.00 O ATOM 401 NE2 GLN A 27 -9.765 -6.245 7.801 1.00 0.00 N ATOM 0 H GLN A 27 -8.493 -9.502 5.383 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.928 -8.470 5.737 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.872 -7.216 7.574 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.987 -7.246 6.222 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.304 -9.017 7.336 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.182 -9.012 8.683 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.492 -6.230 6.818 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.300 -5.470 8.194 1.00 0.00 H new ATOM 410 N GLU A 28 -6.801 -10.644 8.083 1.00 0.00 N ATOM 411 CA GLU A 28 -6.280 -11.559 9.088 1.00 0.00 C ATOM 412 C GLU A 28 -5.585 -12.751 8.424 1.00 0.00 C ATOM 413 O GLU A 28 -4.678 -13.357 8.994 1.00 0.00 O ATOM 414 CB GLU A 28 -7.422 -12.029 10.004 1.00 0.00 C ATOM 415 CG GLU A 28 -7.351 -13.498 10.396 1.00 0.00 C ATOM 416 CD GLU A 28 -8.485 -13.910 11.314 1.00 0.00 C ATOM 417 OE1 GLU A 28 -8.611 -13.319 12.407 1.00 0.00 O ATOM 418 OE2 GLU A 28 -9.249 -14.824 10.940 1.00 0.00 O ATOM 0 H GLU A 28 -7.815 -10.675 7.976 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.539 -11.037 9.693 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.417 -11.423 10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.372 -11.845 9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.375 -14.112 9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.399 -13.693 10.890 1.00 0.00 H new ATOM 425 N ARG A 29 -6.047 -13.093 7.224 1.00 0.00 N ATOM 426 CA ARG A 29 -5.516 -14.225 6.471 1.00 0.00 C ATOM 427 C ARG A 29 -4.163 -13.914 5.836 1.00 0.00 C ATOM 428 O ARG A 29 -3.309 -14.792 5.715 1.00 0.00 O ATOM 429 CB ARG A 29 -6.515 -14.622 5.384 1.00 0.00 C ATOM 430 CG ARG A 29 -6.459 -16.089 4.996 1.00 0.00 C ATOM 431 CD ARG A 29 -6.881 -16.987 6.148 1.00 0.00 C ATOM 432 NE ARG A 29 -7.713 -18.100 5.696 1.00 0.00 N ATOM 433 CZ ARG A 29 -7.231 -19.201 5.123 1.00 0.00 C ATOM 434 NH1 ARG A 29 -5.925 -19.338 4.929 1.00 0.00 N ATOM 435 NH2 ARG A 29 -8.057 -20.166 4.740 1.00 0.00 N ATOM 0 H ARG A 29 -6.798 -12.594 6.747 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.366 -15.048 7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.522 -14.386 5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.331 -14.015 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.109 -16.265 4.139 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.446 -16.346 4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.994 -17.377 6.648 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.430 -16.399 6.884 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.722 -18.029 5.827 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.286 -18.598 5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.561 -20.183 4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.062 -20.065 4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.687 -21.009 4.301 1.00 0.00 H new ATOM 449 N LEU A 30 -3.979 -12.669 5.420 1.00 0.00 N ATOM 450 CA LEU A 30 -2.740 -12.241 4.779 1.00 0.00 C ATOM 451 C LEU A 30 -1.525 -12.600 5.632 1.00 0.00 C ATOM 452 O LEU A 30 -0.564 -13.191 5.141 1.00 0.00 O ATOM 453 CB LEU A 30 -2.787 -10.734 4.509 1.00 0.00 C ATOM 454 CG LEU A 30 -1.775 -10.220 3.481 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.352 -10.507 3.937 1.00 0.00 C ATOM 456 CD2 LEU A 30 -2.040 -10.840 2.115 1.00 0.00 C ATOM 0 H LEU A 30 -4.677 -11.931 5.515 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.643 -12.767 3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.789 -10.474 4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.623 -10.208 5.450 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.891 -9.140 3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.351 -10.134 3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.168 -10.011 4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.218 -11.582 4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.311 -10.463 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.954 -11.924 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.045 -10.576 1.785 1.00 0.00 H new ATOM 468 N LYS A 31 -1.579 -12.250 6.909 1.00 0.00 N ATOM 469 CA LYS A 31 -0.485 -12.547 7.828 1.00 0.00 C ATOM 470 C LYS A 31 -0.424 -14.039 8.155 1.00 0.00 C ATOM 471 O LYS A 31 0.521 -14.503 8.794 1.00 0.00 O ATOM 472 CB LYS A 31 -0.644 -11.743 9.119 1.00 0.00 C ATOM 473 CG LYS A 31 -1.965 -11.988 9.830 1.00 0.00 C ATOM 474 CD LYS A 31 -2.876 -10.771 9.764 1.00 0.00 C ATOM 475 CE LYS A 31 -3.451 -10.428 11.128 1.00 0.00 C ATOM 476 NZ LYS A 31 -3.747 -8.975 11.257 1.00 0.00 N ATOM 0 H LYS A 31 -2.367 -11.761 7.334 1.00 0.00 H new ATOM 0 HA LYS A 31 0.447 -12.265 7.338 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.174 -11.991 9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.556 -10.681 8.889 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.468 -12.843 9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.775 -12.244 10.872 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.317 -9.918 9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.689 -10.962 9.063 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.364 -11.000 11.291 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.746 -10.725 11.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.137 -8.783 12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.871 -8.429 11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.439 -8.696 10.533 1.00 0.00 H new ATOM 490 N ALA A 32 -1.444 -14.784 7.734 1.00 0.00 N ATOM 491 CA ALA A 32 -1.512 -16.217 8.005 1.00 0.00 C ATOM 492 C ALA A 32 -0.546 -17.029 7.140 1.00 0.00 C ATOM 493 O ALA A 32 -0.931 -18.040 6.552 1.00 0.00 O ATOM 494 CB ALA A 32 -2.932 -16.715 7.801 1.00 0.00 C ATOM 0 H ALA A 32 -2.235 -14.418 7.204 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.211 -16.361 9.043 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.975 -17.785 8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.603 -16.189 8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.238 -16.529 6.772 1.00 0.00 H new ATOM 500 N GLY A 33 0.712 -16.606 7.087 1.00 0.00 N ATOM 501 CA GLY A 33 1.705 -17.329 6.319 1.00 0.00 C ATOM 502 C GLY A 33 1.657 -17.055 4.826 1.00 0.00 C ATOM 503 O GLY A 33 2.561 -17.456 4.094 1.00 0.00 O ATOM 0 H GLY A 33 1.061 -15.774 7.563 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.696 -17.071 6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.570 -18.398 6.486 1.00 0.00 H new ATOM 507 N GLU A 34 0.611 -16.379 4.362 1.00 0.00 N ATOM 508 CA GLU A 34 0.482 -16.074 2.941 1.00 0.00 C ATOM 509 C GLU A 34 1.079 -14.709 2.623 1.00 0.00 C ATOM 510 O GLU A 34 1.148 -13.833 3.486 1.00 0.00 O ATOM 511 CB GLU A 34 -0.985 -16.125 2.507 1.00 0.00 C ATOM 512 CG GLU A 34 -1.920 -15.371 3.434 1.00 0.00 C ATOM 513 CD GLU A 34 -3.339 -15.304 2.901 1.00 0.00 C ATOM 514 OE1 GLU A 34 -4.011 -16.358 2.867 1.00 0.00 O ATOM 515 OE2 GLU A 34 -3.778 -14.200 2.518 1.00 0.00 O ATOM 0 H GLU A 34 -0.153 -16.034 4.943 1.00 0.00 H new ATOM 0 HA GLU A 34 1.035 -16.830 2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.072 -15.712 1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.303 -17.166 2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.925 -15.854 4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.542 -14.359 3.581 1.00 0.00 H new ATOM 522 N LYS A 35 1.514 -14.535 1.380 1.00 0.00 N ATOM 523 CA LYS A 35 2.112 -13.279 0.949 1.00 0.00 C ATOM 524 C LYS A 35 1.113 -12.428 0.175 1.00 0.00 C ATOM 525 O LYS A 35 0.295 -12.946 -0.586 1.00 0.00 O ATOM 526 CB LYS A 35 3.345 -13.550 0.085 1.00 0.00 C ATOM 527 CG LYS A 35 4.409 -12.467 0.181 1.00 0.00 C ATOM 528 CD LYS A 35 5.499 -12.846 1.171 1.00 0.00 C ATOM 529 CE LYS A 35 5.053 -12.612 2.604 1.00 0.00 C ATOM 530 NZ LYS A 35 4.825 -11.167 2.887 1.00 0.00 N ATOM 0 H LYS A 35 1.463 -15.249 0.653 1.00 0.00 H new ATOM 0 HA LYS A 35 2.411 -12.727 1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.782 -14.504 0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.034 -13.650 -0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.850 -12.300 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.948 -11.528 0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.765 -13.895 1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.396 -12.262 0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.135 -13.168 2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.808 -13.001 3.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.395 -10.880 3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.102 -10.603 2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.818 -11.008 3.093 1.00 0.00 H new ATOM 544 N PHE A 36 1.192 -11.117 0.374 1.00 0.00 N ATOM 545 CA PHE A 36 0.302 -10.180 -0.303 1.00 0.00 C ATOM 546 C PHE A 36 0.328 -10.404 -1.812 1.00 0.00 C ATOM 547 O PHE A 36 -0.692 -10.266 -2.488 1.00 0.00 O ATOM 548 CB PHE A 36 0.707 -8.740 0.018 1.00 0.00 C ATOM 549 CG PHE A 36 2.193 -8.519 0.003 1.00 0.00 C ATOM 550 CD1 PHE A 36 2.888 -8.471 -1.196 1.00 0.00 C ATOM 551 CD2 PHE A 36 2.897 -8.362 1.186 1.00 0.00 C ATOM 552 CE1 PHE A 36 4.255 -8.271 -1.214 1.00 0.00 C ATOM 553 CE2 PHE A 36 4.264 -8.161 1.175 1.00 0.00 C ATOM 554 CZ PHE A 36 4.944 -8.115 -0.027 1.00 0.00 C ATOM 0 H PHE A 36 1.866 -10.677 1.001 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.713 -10.353 0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.241 -8.070 -0.704 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.317 -8.471 1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.354 -8.591 -2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.371 -8.397 2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.784 -8.237 -2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.800 -8.040 2.105 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.012 -7.957 -0.038 1.00 0.00 H new ATOM 564 N GLY A 37 1.501 -10.752 -2.329 1.00 0.00 N ATOM 565 CA GLY A 37 1.643 -10.993 -3.751 1.00 0.00 C ATOM 566 C GLY A 37 0.793 -12.153 -4.224 1.00 0.00 C ATOM 567 O GLY A 37 0.251 -12.130 -5.329 1.00 0.00 O ATOM 0 H GLY A 37 2.357 -10.871 -1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.364 -10.093 -4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.689 -11.195 -3.981 1.00 0.00 H new ATOM 571 N LYS A 38 0.677 -13.174 -3.383 1.00 0.00 N ATOM 572 CA LYS A 38 -0.112 -14.353 -3.714 1.00 0.00 C ATOM 573 C LYS A 38 -1.572 -13.980 -3.946 1.00 0.00 C ATOM 574 O LYS A 38 -2.147 -14.299 -4.986 1.00 0.00 O ATOM 575 CB LYS A 38 -0.005 -15.389 -2.593 1.00 0.00 C ATOM 576 CG LYS A 38 -0.860 -16.627 -2.819 1.00 0.00 C ATOM 577 CD LYS A 38 -0.108 -17.897 -2.453 1.00 0.00 C ATOM 578 CE LYS A 38 -1.036 -18.939 -1.853 1.00 0.00 C ATOM 579 NZ LYS A 38 -0.402 -20.285 -1.803 1.00 0.00 N ATOM 0 H LYS A 38 1.121 -13.208 -2.465 1.00 0.00 H new ATOM 0 HA LYS A 38 0.283 -14.783 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.037 -15.692 -2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.297 -14.924 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.769 -16.556 -2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.167 -16.673 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.373 -18.305 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.684 -17.660 -1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.321 -18.634 -0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.952 -18.991 -2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.068 -20.967 -1.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.153 -20.587 -2.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.458 -20.242 -1.220 1.00 0.00 H new ATOM 593 N LEU A 39 -2.164 -13.299 -2.968 1.00 0.00 N ATOM 594 CA LEU A 39 -3.558 -12.878 -3.054 1.00 0.00 C ATOM 595 C LEU A 39 -3.814 -12.092 -4.337 1.00 0.00 C ATOM 596 O LEU A 39 -4.893 -12.179 -4.922 1.00 0.00 O ATOM 597 CB LEU A 39 -3.943 -12.016 -1.846 1.00 0.00 C ATOM 598 CG LEU A 39 -3.917 -12.719 -0.478 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.655 -14.047 -0.537 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.491 -12.927 0.008 1.00 0.00 C ATOM 0 H LEU A 39 -1.697 -13.026 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.171 -13.779 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.268 -11.161 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.946 -11.623 -2.011 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.427 -12.071 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.623 -14.525 0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.693 -13.874 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.179 -14.695 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.506 -13.426 0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.948 -13.543 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.995 -11.961 0.105 1.00 0.00 H new ATOM 612 N ALA A 40 -2.816 -11.328 -4.775 1.00 0.00 N ATOM 613 CA ALA A 40 -2.951 -10.527 -5.986 1.00 0.00 C ATOM 614 C ALA A 40 -3.440 -11.382 -7.149 1.00 0.00 C ATOM 615 O ALA A 40 -4.441 -11.064 -7.792 1.00 0.00 O ATOM 616 CB ALA A 40 -1.622 -9.873 -6.335 1.00 0.00 C ATOM 0 H ALA A 40 -1.911 -11.248 -4.312 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.690 -9.747 -5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.736 -9.278 -7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.307 -9.228 -5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.869 -10.644 -6.500 1.00 0.00 H new ATOM 622 N LYS A 41 -2.741 -12.474 -7.402 1.00 0.00 N ATOM 623 CA LYS A 41 -3.110 -13.387 -8.471 1.00 0.00 C ATOM 624 C LYS A 41 -4.143 -14.402 -7.989 1.00 0.00 C ATOM 625 O LYS A 41 -4.870 -14.990 -8.791 1.00 0.00 O ATOM 626 CB LYS A 41 -1.873 -14.109 -9.007 1.00 0.00 C ATOM 627 CG LYS A 41 -1.147 -14.936 -7.959 1.00 0.00 C ATOM 628 CD LYS A 41 0.206 -14.334 -7.608 1.00 0.00 C ATOM 629 CE LYS A 41 1.349 -15.138 -8.208 1.00 0.00 C ATOM 630 NZ LYS A 41 2.270 -14.283 -9.006 1.00 0.00 N ATOM 0 H LYS A 41 -1.910 -12.752 -6.879 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.554 -12.802 -9.277 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.171 -14.760 -9.829 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.183 -13.372 -9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.760 -15.004 -7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.009 -15.952 -8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.253 -13.307 -7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.317 -14.295 -6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.908 -15.627 -7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.944 -15.926 -8.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.035 -14.868 -9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.743 -13.836 -9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.676 -13.546 -8.395 1.00 0.00 H new ATOM 644 N GLU A 42 -4.179 -14.634 -6.676 1.00 0.00 N ATOM 645 CA GLU A 42 -5.093 -15.612 -6.097 1.00 0.00 C ATOM 646 C GLU A 42 -6.560 -15.177 -6.183 1.00 0.00 C ATOM 647 O GLU A 42 -7.339 -15.780 -6.923 1.00 0.00 O ATOM 648 CB GLU A 42 -4.699 -15.881 -4.642 1.00 0.00 C ATOM 649 CG GLU A 42 -4.183 -17.290 -4.404 1.00 0.00 C ATOM 650 CD GLU A 42 -5.125 -18.121 -3.554 1.00 0.00 C ATOM 651 OE1 GLU A 42 -6.352 -17.904 -3.641 1.00 0.00 O ATOM 652 OE2 GLU A 42 -4.634 -18.988 -2.802 1.00 0.00 O ATOM 0 H GLU A 42 -3.586 -14.157 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.007 -16.528 -6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.932 -15.167 -4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.564 -15.706 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.033 -17.785 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.209 -17.239 -3.917 1.00 0.00 H new ATOM 659 N LEU A 43 -6.948 -14.143 -5.436 1.00 0.00 N ATOM 660 CA LEU A 43 -8.339 -13.677 -5.467 1.00 0.00 C ATOM 661 C LEU A 43 -8.466 -12.229 -5.931 1.00 0.00 C ATOM 662 O LEU A 43 -9.561 -11.785 -6.277 1.00 0.00 O ATOM 663 CB LEU A 43 -9.019 -13.849 -4.102 1.00 0.00 C ATOM 664 CG LEU A 43 -8.175 -13.486 -2.879 1.00 0.00 C ATOM 665 CD1 LEU A 43 -7.125 -14.553 -2.622 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.530 -12.118 -3.054 1.00 0.00 C ATOM 0 H LEU A 43 -6.334 -13.619 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.848 -14.304 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.922 -13.238 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.335 -14.888 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.832 -13.438 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.534 -14.279 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.615 -15.510 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.472 -14.637 -3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.935 -11.881 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.887 -12.129 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.306 -11.363 -3.181 1.00 0.00 H new ATOM 678 N SER A 44 -7.365 -11.485 -5.927 1.00 0.00 N ATOM 679 CA SER A 44 -7.412 -10.085 -6.341 1.00 0.00 C ATOM 680 C SER A 44 -7.795 -9.949 -7.808 1.00 0.00 C ATOM 681 O SER A 44 -7.369 -10.736 -8.654 1.00 0.00 O ATOM 682 CB SER A 44 -6.068 -9.402 -6.100 1.00 0.00 C ATOM 683 OG SER A 44 -6.246 -8.078 -5.626 1.00 0.00 O ATOM 0 H SER A 44 -6.443 -11.819 -5.647 1.00 0.00 H new ATOM 0 HA SER A 44 -8.177 -9.597 -5.737 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.490 -9.976 -5.376 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.494 -9.386 -7.026 1.00 0.00 H new ATOM 0 HG SER A 44 -5.829 -7.448 -6.250 1.00 0.00 H new ATOM 689 N ILE A 45 -8.599 -8.932 -8.098 1.00 0.00 N ATOM 690 CA ILE A 45 -9.045 -8.663 -9.455 1.00 0.00 C ATOM 691 C ILE A 45 -8.321 -7.450 -10.036 1.00 0.00 C ATOM 692 O ILE A 45 -8.429 -7.161 -11.229 1.00 0.00 O ATOM 693 CB ILE A 45 -10.564 -8.410 -9.510 1.00 0.00 C ATOM 694 CG1 ILE A 45 -10.987 -7.478 -8.373 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.323 -9.724 -9.432 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.113 -6.539 -8.741 1.00 0.00 C ATOM 0 H ILE A 45 -8.956 -8.277 -7.403 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.811 -9.548 -10.047 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.804 -7.930 -10.459 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.293 -8.080 -7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.125 -6.890 -8.057 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.395 -9.528 -9.472 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.039 -10.359 -10.271 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.081 -10.229 -8.497 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.357 -5.910 -7.885 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.804 -5.910 -9.576 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.991 -7.118 -9.028 1.00 0.00 H new ATOM 745 N ALA A 50 -1.830 -6.050 -10.061 1.00 0.00 N ATOM 746 CA ALA A 50 -1.965 -7.293 -9.308 1.00 0.00 C ATOM 747 C ALA A 50 -0.977 -8.333 -9.813 1.00 0.00 C ATOM 748 O ALA A 50 -0.574 -9.238 -9.083 1.00 0.00 O ATOM 749 CB ALA A 50 -3.388 -7.824 -9.400 1.00 0.00 C ATOM 0 HA ALA A 50 -1.743 -7.084 -8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.468 -8.751 -8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.079 -7.087 -8.990 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.638 -8.015 -10.444 1.00 0.00 H new ATOM 755 N LYS A 51 -0.602 -8.192 -11.079 1.00 0.00 N ATOM 756 CA LYS A 51 0.330 -9.103 -11.716 1.00 0.00 C ATOM 757 C LYS A 51 1.744 -8.883 -11.200 1.00 0.00 C ATOM 758 O LYS A 51 2.638 -9.700 -11.422 1.00 0.00 O ATOM 759 CB LYS A 51 0.281 -8.893 -13.224 1.00 0.00 C ATOM 760 CG LYS A 51 -0.804 -9.697 -13.913 1.00 0.00 C ATOM 761 CD LYS A 51 -0.472 -11.182 -13.937 1.00 0.00 C ATOM 762 CE LYS A 51 -1.586 -12.014 -13.323 1.00 0.00 C ATOM 763 NZ LYS A 51 -1.870 -13.239 -14.121 1.00 0.00 N ATOM 0 H LYS A 51 -0.936 -7.445 -11.687 1.00 0.00 H new ATOM 0 HA LYS A 51 0.043 -10.127 -11.478 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.124 -7.834 -13.430 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.247 -9.161 -13.651 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.753 -9.544 -13.399 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.933 -9.336 -14.933 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.303 -11.501 -14.965 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.456 -11.357 -13.393 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.309 -12.298 -12.308 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.491 -11.411 -13.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.636 -13.778 -13.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.159 -12.968 -15.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.014 -13.828 -14.170 1.00 0.00 H new ATOM 777 N ARG A 52 1.933 -7.771 -10.505 1.00 0.00 N ATOM 778 CA ARG A 52 3.228 -7.423 -9.943 1.00 0.00 C ATOM 779 C ARG A 52 3.242 -7.683 -8.439 1.00 0.00 C ATOM 780 O ARG A 52 4.011 -7.070 -7.704 1.00 0.00 O ATOM 781 CB ARG A 52 3.566 -5.956 -10.231 1.00 0.00 C ATOM 782 CG ARG A 52 2.584 -5.255 -11.160 1.00 0.00 C ATOM 783 CD ARG A 52 3.091 -3.878 -11.565 1.00 0.00 C ATOM 784 NE ARG A 52 2.084 -3.115 -12.297 1.00 0.00 N ATOM 785 CZ ARG A 52 2.097 -1.789 -12.415 1.00 0.00 C ATOM 786 NH1 ARG A 52 3.064 -1.073 -11.852 1.00 0.00 N ATOM 787 NH2 ARG A 52 1.140 -1.174 -13.097 1.00 0.00 N ATOM 0 H ARG A 52 1.198 -7.089 -10.316 1.00 0.00 H new ATOM 0 HA ARG A 52 3.985 -8.050 -10.414 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.605 -5.413 -9.287 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.562 -5.905 -10.670 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.426 -5.863 -12.051 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.618 -5.158 -10.665 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.387 -3.325 -10.674 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.982 -3.988 -12.183 1.00 0.00 H new ATOM 0 HE ARG A 52 1.325 -3.629 -12.745 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.803 -1.539 -11.325 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.068 -0.057 -11.947 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.394 -1.717 -13.531 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.150 -0.158 -13.187 1.00 0.00 H new ATOM 801 N ASP A 53 2.372 -8.594 -7.995 1.00 0.00 N ATOM 802 CA ASP A 53 2.259 -8.953 -6.582 1.00 0.00 C ATOM 803 C ASP A 53 1.572 -7.845 -5.781 1.00 0.00 C ATOM 804 O ASP A 53 1.529 -7.892 -4.552 1.00 0.00 O ATOM 805 CB ASP A 53 3.641 -9.300 -5.993 1.00 0.00 C ATOM 806 CG ASP A 53 4.336 -8.135 -5.300 1.00 0.00 C ATOM 807 OD1 ASP A 53 3.849 -7.697 -4.238 1.00 0.00 O ATOM 808 OD2 ASP A 53 5.374 -7.671 -5.817 1.00 0.00 O ATOM 0 H ASP A 53 1.729 -9.101 -8.604 1.00 0.00 H new ATOM 0 HA ASP A 53 1.633 -9.842 -6.509 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.525 -10.115 -5.279 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.283 -9.667 -6.794 1.00 0.00 H new ATOM 813 N GLY A 54 1.027 -6.854 -6.481 1.00 0.00 N ATOM 814 CA GLY A 54 0.349 -5.763 -5.812 1.00 0.00 C ATOM 815 C GLY A 54 1.293 -4.933 -4.970 1.00 0.00 C ATOM 816 O GLY A 54 0.875 -4.285 -4.012 1.00 0.00 O ATOM 0 H GLY A 54 1.044 -6.789 -7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.129 -5.125 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.443 -6.163 -5.179 1.00 0.00 H new ATOM 820 N SER A 55 2.572 -4.955 -5.327 1.00 0.00 N ATOM 821 CA SER A 55 3.582 -4.199 -4.601 1.00 0.00 C ATOM 822 C SER A 55 3.497 -2.719 -4.949 1.00 0.00 C ATOM 823 O SER A 55 4.237 -2.225 -5.798 1.00 0.00 O ATOM 824 CB SER A 55 4.979 -4.731 -4.920 1.00 0.00 C ATOM 825 OG SER A 55 5.116 -5.014 -6.301 1.00 0.00 O ATOM 0 H SER A 55 2.933 -5.490 -6.117 1.00 0.00 H new ATOM 0 HA SER A 55 3.395 -4.318 -3.534 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.728 -3.998 -4.620 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.168 -5.635 -4.340 1.00 0.00 H new ATOM 0 HG SER A 55 5.074 -5.983 -6.442 1.00 0.00 H new ATOM 831 N LEU A 56 2.586 -2.018 -4.284 1.00 0.00 N ATOM 832 CA LEU A 56 2.400 -0.592 -4.517 1.00 0.00 C ATOM 833 C LEU A 56 3.718 0.164 -4.363 1.00 0.00 C ATOM 834 O LEU A 56 3.900 1.235 -4.939 1.00 0.00 O ATOM 835 CB LEU A 56 1.344 -0.036 -3.554 1.00 0.00 C ATOM 836 CG LEU A 56 -0.107 -0.376 -3.909 1.00 0.00 C ATOM 837 CD1 LEU A 56 -1.067 0.455 -3.075 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.366 -0.159 -5.395 1.00 0.00 C ATOM 0 H LEU A 56 1.965 -2.415 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 56 2.052 -0.452 -5.541 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.554 -0.413 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.447 1.048 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.275 -1.429 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.093 0.201 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.903 0.248 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.894 1.514 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.403 -0.407 -5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.178 0.884 -5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.297 -0.799 -5.977 1.00 0.00 H new ATOM 850 N GLY A 57 4.639 -0.410 -3.595 1.00 0.00 N ATOM 851 CA GLY A 57 5.933 0.217 -3.395 1.00 0.00 C ATOM 852 C GLY A 57 5.831 1.580 -2.741 1.00 0.00 C ATOM 853 O GLY A 57 4.802 1.924 -2.163 1.00 0.00 O ATOM 0 H GLY A 57 4.513 -1.297 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.554 -0.432 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.435 0.318 -4.357 1.00 0.00 H new ATOM 857 N TYR A 58 6.909 2.355 -2.827 1.00 0.00 N ATOM 858 CA TYR A 58 6.939 3.686 -2.226 1.00 0.00 C ATOM 859 C TYR A 58 6.084 4.676 -3.005 1.00 0.00 C ATOM 860 O TYR A 58 6.431 5.076 -4.118 1.00 0.00 O ATOM 861 CB TYR A 58 8.371 4.245 -2.117 1.00 0.00 C ATOM 862 CG TYR A 58 9.478 3.267 -2.457 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.826 3.015 -3.779 1.00 0.00 C ATOM 864 CD2 TYR A 58 10.178 2.604 -1.457 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.839 2.129 -4.093 1.00 0.00 C ATOM 866 CE2 TYR A 58 11.191 1.716 -1.764 1.00 0.00 C ATOM 867 CZ TYR A 58 11.518 1.483 -3.083 1.00 0.00 C ATOM 868 OH TYR A 58 12.529 0.601 -3.392 1.00 0.00 O ATOM 0 H TYR A 58 7.769 2.086 -3.304 1.00 0.00 H new ATOM 0 HA TYR A 58 6.530 3.566 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.457 5.109 -2.776 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.526 4.604 -1.100 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.296 3.520 -4.573 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.926 2.786 -0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.097 1.944 -5.125 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.724 1.207 -0.975 1.00 0.00 H new ATOM 0 HH TYR A 58 12.906 0.233 -2.566 1.00 0.00 H new ATOM 878 N PHE A 59 4.990 5.104 -2.390 1.00 0.00 N ATOM 879 CA PHE A 59 4.106 6.093 -2.990 1.00 0.00 C ATOM 880 C PHE A 59 3.960 7.271 -2.045 1.00 0.00 C ATOM 881 O PHE A 59 4.277 7.167 -0.863 1.00 0.00 O ATOM 882 CB PHE A 59 2.729 5.510 -3.282 1.00 0.00 C ATOM 883 CG PHE A 59 2.596 4.914 -4.655 1.00 0.00 C ATOM 884 CD1 PHE A 59 3.535 4.013 -5.130 1.00 0.00 C ATOM 885 CD2 PHE A 59 1.532 5.260 -5.472 1.00 0.00 C ATOM 886 CE1 PHE A 59 3.414 3.467 -6.395 1.00 0.00 C ATOM 887 CE2 PHE A 59 1.405 4.717 -6.736 1.00 0.00 C ATOM 888 CZ PHE A 59 2.347 3.820 -7.199 1.00 0.00 C ATOM 0 H PHE A 59 4.692 4.779 -1.470 1.00 0.00 H new ATOM 0 HA PHE A 59 4.546 6.413 -3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.506 4.742 -2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.981 6.294 -3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.371 3.734 -4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.793 5.963 -5.117 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.153 2.766 -6.754 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.569 4.994 -7.362 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.250 3.395 -8.187 1.00 0.00 H new ATOM 898 N GLY A 60 3.475 8.386 -2.559 1.00 0.00 N ATOM 899 CA GLY A 60 3.301 9.557 -1.724 1.00 0.00 C ATOM 900 C GLY A 60 1.862 10.032 -1.678 1.00 0.00 C ATOM 901 O GLY A 60 0.967 9.377 -2.212 1.00 0.00 O ATOM 0 H GLY A 60 3.199 8.504 -3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.637 9.330 -0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.934 10.362 -2.097 1.00 0.00 H new ATOM 905 N ARG A 61 1.637 11.173 -1.034 1.00 0.00 N ATOM 906 CA ARG A 61 0.305 11.734 -0.914 1.00 0.00 C ATOM 907 C ARG A 61 -0.041 12.530 -2.156 1.00 0.00 C ATOM 908 O ARG A 61 0.289 13.713 -2.262 1.00 0.00 O ATOM 909 CB ARG A 61 0.211 12.626 0.325 1.00 0.00 C ATOM 910 CG ARG A 61 1.248 13.739 0.353 1.00 0.00 C ATOM 911 CD ARG A 61 2.013 13.769 1.668 1.00 0.00 C ATOM 912 NE ARG A 61 3.432 13.472 1.483 1.00 0.00 N ATOM 913 CZ ARG A 61 3.931 12.239 1.423 1.00 0.00 C ATOM 914 NH1 ARG A 61 3.133 11.184 1.525 1.00 0.00 N ATOM 915 NH2 ARG A 61 5.235 12.061 1.255 1.00 0.00 N ATOM 0 H ARG A 61 2.368 11.726 -0.586 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.408 10.916 -0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.785 13.067 0.370 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.328 12.009 1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.948 13.604 -0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.755 14.699 0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.905 14.751 2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.578 13.045 2.357 1.00 0.00 H new ATOM 0 HE ARG A 61 4.079 14.256 1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.129 11.314 1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.523 10.243 1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.853 12.868 1.172 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.619 11.117 1.209 1.00 0.00 H new ATOM 929 N GLY A 62 -0.701 11.876 -3.097 1.00 0.00 N ATOM 930 CA GLY A 62 -1.075 12.541 -4.321 1.00 0.00 C ATOM 931 C GLY A 62 -1.078 11.610 -5.521 1.00 0.00 C ATOM 932 O GLY A 62 -0.707 12.011 -6.624 1.00 0.00 O ATOM 0 H GLY A 62 -0.983 10.898 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.067 12.977 -4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.385 13.364 -4.507 1.00 0.00 H new ATOM 936 N LYS A 63 -1.496 10.364 -5.308 1.00 0.00 N ATOM 937 CA LYS A 63 -1.539 9.382 -6.385 1.00 0.00 C ATOM 938 C LYS A 63 -2.722 8.430 -6.219 1.00 0.00 C ATOM 939 O LYS A 63 -3.424 8.128 -7.184 1.00 0.00 O ATOM 940 CB LYS A 63 -0.229 8.591 -6.430 1.00 0.00 C ATOM 941 CG LYS A 63 0.636 8.916 -7.636 1.00 0.00 C ATOM 942 CD LYS A 63 0.371 7.959 -8.786 1.00 0.00 C ATOM 943 CE LYS A 63 1.638 7.682 -9.583 1.00 0.00 C ATOM 944 NZ LYS A 63 2.094 8.885 -10.335 1.00 0.00 N ATOM 0 H LYS A 63 -1.808 10.013 -4.403 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.666 9.918 -7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.339 8.792 -5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.458 7.525 -6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.441 9.938 -7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.688 8.866 -7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.028 7.022 -8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.389 8.380 -9.444 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.428 7.355 -8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.457 6.864 -10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.959 8.656 -10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.350 9.182 -10.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.291 9.658 -9.667 1.00 0.00 H new ATOM 958 N MET A 64 -2.932 7.953 -4.997 1.00 0.00 N ATOM 959 CA MET A 64 -4.027 7.029 -4.716 1.00 0.00 C ATOM 960 C MET A 64 -5.291 7.777 -4.302 1.00 0.00 C ATOM 961 O MET A 64 -5.245 8.964 -3.983 1.00 0.00 O ATOM 962 CB MET A 64 -3.628 6.039 -3.618 1.00 0.00 C ATOM 963 CG MET A 64 -2.184 5.569 -3.713 1.00 0.00 C ATOM 964 SD MET A 64 -1.179 6.109 -2.315 1.00 0.00 S ATOM 965 CE MET A 64 -0.874 4.548 -1.494 1.00 0.00 C ATOM 0 H MET A 64 -2.360 8.190 -4.186 1.00 0.00 H new ATOM 0 HA MET A 64 -4.237 6.480 -5.634 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.786 6.506 -2.646 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.287 5.172 -3.666 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.164 4.481 -3.770 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.745 5.945 -4.637 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.086 4.675 -0.752 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.786 4.212 -1.001 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.564 3.805 -2.229 1.00 0.00 H new ATOM 975 N VAL A 65 -6.416 7.068 -4.309 1.00 0.00 N ATOM 976 CA VAL A 65 -7.694 7.657 -3.932 1.00 0.00 C ATOM 977 C VAL A 65 -7.665 8.140 -2.483 1.00 0.00 C ATOM 978 O VAL A 65 -6.766 7.790 -1.720 1.00 0.00 O ATOM 979 CB VAL A 65 -8.848 6.653 -4.124 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.977 6.264 -5.587 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.633 5.425 -3.257 1.00 0.00 C ATOM 0 H VAL A 65 -6.467 6.084 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.865 8.512 -4.586 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.778 7.130 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.796 5.555 -5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.179 7.154 -6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.048 5.804 -5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.457 4.727 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.695 4.944 -3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.593 5.722 -2.209 1.00 0.00 H new ATOM 991 N LYS A 66 -8.645 8.961 -2.117 1.00 0.00 N ATOM 992 CA LYS A 66 -8.724 9.514 -0.767 1.00 0.00 C ATOM 993 C LYS A 66 -8.854 8.431 0.309 1.00 0.00 C ATOM 994 O LYS A 66 -8.139 8.468 1.312 1.00 0.00 O ATOM 995 CB LYS A 66 -9.902 10.486 -0.669 1.00 0.00 C ATOM 996 CG LYS A 66 -9.555 11.800 0.015 1.00 0.00 C ATOM 997 CD LYS A 66 -10.149 11.880 1.413 1.00 0.00 C ATOM 998 CE LYS A 66 -10.793 13.233 1.670 1.00 0.00 C ATOM 999 NZ LYS A 66 -11.818 13.566 0.641 1.00 0.00 N ATOM 0 H LYS A 66 -9.398 9.259 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.788 10.041 -0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.273 10.696 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.714 10.005 -0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.472 11.905 0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.924 12.631 -0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.892 11.093 1.539 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.368 11.702 2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.256 13.233 2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.024 14.005 1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.580 14.123 1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.378 14.120 -0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.213 12.688 0.248 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.765 7.459 0.134 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.959 6.395 1.119 1.00 0.00 C ATOM 1015 C PRO A 67 -8.742 5.488 1.224 1.00 0.00 C ATOM 1016 O PRO A 67 -8.377 5.035 2.309 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.163 5.606 0.603 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.348 6.001 -0.824 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.670 7.330 -1.022 1.00 0.00 C ATOM 0 HA PRO A 67 -10.113 6.803 2.118 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.990 4.533 0.689 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.055 5.833 1.187 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.919 5.250 -1.487 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.408 6.072 -1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.119 7.358 -1.962 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.394 8.144 -1.052 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.121 5.230 0.084 1.00 0.00 N ATOM 1028 CA PHE A 68 -6.940 4.377 0.029 1.00 0.00 C ATOM 1029 C PHE A 68 -5.714 5.110 0.563 1.00 0.00 C ATOM 1030 O PHE A 68 -5.013 4.610 1.442 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.683 3.913 -1.406 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.688 2.793 -1.511 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -6.097 1.473 -1.411 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -4.344 3.062 -1.712 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -5.183 0.443 -1.510 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -3.426 2.036 -1.813 1.00 0.00 C ATOM 1037 CZ PHE A 68 -3.846 0.724 -1.712 1.00 0.00 C ATOM 0 H PHE A 68 -8.415 5.600 -0.820 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.125 3.506 0.657 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.626 3.592 -1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.327 4.759 -1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.141 1.248 -1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.011 4.086 -1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.513 -0.582 -1.430 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.381 2.259 -1.971 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.130 -0.081 -1.791 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.462 6.301 0.026 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.322 7.103 0.448 1.00 0.00 C ATOM 1049 C GLU A 69 -4.357 7.344 1.954 1.00 0.00 C ATOM 1050 O GLU A 69 -3.317 7.442 2.603 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.317 8.438 -0.296 1.00 0.00 C ATOM 1052 CG GLU A 69 -2.947 9.093 -0.367 1.00 0.00 C ATOM 1053 CD GLU A 69 -2.959 10.529 0.119 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.950 11.238 -0.150 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -1.977 10.943 0.770 1.00 0.00 O ATOM 0 H GLU A 69 -6.033 6.730 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.410 6.556 0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.688 8.281 -1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.011 9.120 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.242 8.517 0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.588 9.065 -1.396 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.565 7.433 2.499 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.747 7.659 3.927 1.00 0.00 C ATOM 1064 C ASP A 70 -5.225 6.476 4.739 1.00 0.00 C ATOM 1065 O ASP A 70 -4.432 6.645 5.664 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.226 7.892 4.242 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.597 9.362 4.217 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -6.971 10.145 4.960 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -8.516 9.728 3.455 1.00 0.00 O ATOM 0 H ASP A 70 -6.434 7.352 1.972 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.177 8.546 4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.838 7.353 3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.455 7.479 5.224 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.680 5.279 4.385 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.267 4.062 5.078 1.00 0.00 C ATOM 1076 C ALA A 71 -3.846 3.644 4.699 1.00 0.00 C ATOM 1077 O ALA A 71 -3.280 2.731 5.300 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.246 2.937 4.781 1.00 0.00 C ATOM 0 H ALA A 71 -6.337 5.124 3.620 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.270 4.271 6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.930 2.033 5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.242 3.222 5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.269 2.748 3.708 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.278 4.299 3.690 1.00 0.00 N ATOM 1085 CA ALA A 72 -1.932 3.974 3.230 1.00 0.00 C ATOM 1086 C ALA A 72 -0.863 4.410 4.229 1.00 0.00 C ATOM 1087 O ALA A 72 0.135 3.716 4.420 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.677 4.613 1.874 1.00 0.00 C ATOM 0 H ALA A 72 -3.728 5.057 3.176 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.868 2.890 3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.670 4.365 1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.403 4.237 1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.775 5.695 1.958 1.00 0.00 H new ATOM 1094 N PHE A 73 -1.064 5.568 4.851 1.00 0.00 N ATOM 1095 CA PHE A 73 -0.097 6.092 5.814 1.00 0.00 C ATOM 1096 C PHE A 73 -0.592 5.959 7.253 1.00 0.00 C ATOM 1097 O PHE A 73 -0.065 6.609 8.156 1.00 0.00 O ATOM 1098 CB PHE A 73 0.214 7.557 5.508 1.00 0.00 C ATOM 1099 CG PHE A 73 -1.008 8.393 5.254 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -1.933 8.613 6.261 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -1.229 8.957 4.009 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -3.058 9.383 6.031 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.352 9.728 3.773 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.267 9.941 4.785 1.00 0.00 C ATOM 0 H PHE A 73 -1.882 6.160 4.708 1.00 0.00 H new ATOM 0 HA PHE A 73 0.811 5.497 5.718 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.768 7.984 6.344 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.865 7.606 4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.774 8.178 7.237 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.517 8.793 3.214 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.772 9.548 6.824 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.514 10.163 2.798 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.145 10.543 4.602 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.600 5.120 7.471 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.143 4.924 8.811 1.00 0.00 C ATOM 1116 C ARG A 74 -1.572 3.662 9.453 1.00 0.00 C ATOM 1117 O ARG A 74 -1.482 3.563 10.676 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.675 4.854 8.768 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.222 3.508 8.310 1.00 0.00 C ATOM 1120 CD ARG A 74 -5.723 3.413 8.531 1.00 0.00 C ATOM 1121 NE ARG A 74 -6.054 2.560 9.669 1.00 0.00 N ATOM 1122 CZ ARG A 74 -7.226 2.586 10.301 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -8.183 3.415 9.905 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -7.440 1.778 11.331 1.00 0.00 N ATOM 0 H ARG A 74 -2.055 4.569 6.743 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.851 5.779 9.420 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.066 5.075 9.761 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.045 5.631 8.100 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.999 3.364 7.253 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.722 2.707 8.853 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.129 4.411 8.695 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.198 3.019 7.632 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.345 1.905 10.000 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.023 4.037 9.113 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.079 3.430 10.393 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.707 1.138 11.638 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.337 1.797 11.816 1.00 0.00 H new ATOM 1138 N LEU A 75 -1.197 2.697 8.618 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.647 1.441 9.110 1.00 0.00 C ATOM 1140 C LEU A 75 0.864 1.390 8.938 1.00 0.00 C ATOM 1141 O LEU A 75 1.390 0.576 8.179 1.00 0.00 O ATOM 1142 CB LEU A 75 -1.293 0.258 8.388 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.747 -0.040 8.760 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -3.014 -1.524 8.625 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.070 0.420 10.177 1.00 0.00 C ATOM 0 H LEU A 75 -1.264 2.761 7.602 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.870 1.378 10.175 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.243 0.441 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.698 -0.633 8.587 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.390 0.514 8.076 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.050 -1.733 8.891 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.834 -1.834 7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.350 -2.075 9.291 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.111 0.192 10.405 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.422 -0.097 10.884 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.909 1.495 10.256 1.00 0.00 H new ATOM 1157 N GLN A 76 1.558 2.249 9.668 1.00 0.00 N ATOM 1158 CA GLN A 76 3.011 2.289 9.619 1.00 0.00 C ATOM 1159 C GLN A 76 3.591 1.081 10.347 1.00 0.00 C ATOM 1160 O GLN A 76 4.751 0.716 10.151 1.00 0.00 O ATOM 1161 CB GLN A 76 3.525 3.582 10.252 1.00 0.00 C ATOM 1162 CG GLN A 76 3.512 4.770 9.302 1.00 0.00 C ATOM 1163 CD GLN A 76 4.719 5.670 9.475 1.00 0.00 C ATOM 1164 OE1 GLN A 76 5.556 5.442 10.349 1.00 0.00 O ATOM 1165 NE2 GLN A 76 4.813 6.699 8.643 1.00 0.00 N ATOM 0 H GLN A 76 1.138 2.929 10.302 1.00 0.00 H new ATOM 0 HA GLN A 76 3.329 2.259 8.577 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.915 3.818 11.124 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.543 3.423 10.608 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.478 4.408 8.274 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.604 5.351 9.465 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.095 6.849 7.934 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.603 7.340 8.712 1.00 0.00 H new ATOM 1174 N VAL A 77 2.761 0.459 11.181 1.00 0.00 N ATOM 1175 CA VAL A 77 3.163 -0.719 11.941 1.00 0.00 C ATOM 1176 C VAL A 77 3.436 -1.894 11.008 1.00 0.00 C ATOM 1177 O VAL A 77 4.210 -2.793 11.334 1.00 0.00 O ATOM 1178 CB VAL A 77 2.073 -1.121 12.963 1.00 0.00 C ATOM 1179 CG1 VAL A 77 0.698 -1.101 12.317 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.358 -2.491 13.570 1.00 0.00 C ATOM 0 H VAL A 77 1.799 0.755 11.347 1.00 0.00 H new ATOM 0 HA VAL A 77 4.076 -0.465 12.479 1.00 0.00 H new ATOM 0 HB VAL A 77 2.089 -0.388 13.769 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.054 -1.387 13.053 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.483 -0.098 11.950 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.677 -1.804 11.485 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.574 -2.743 14.284 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.384 -3.241 12.779 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.320 -2.469 14.081 1.00 0.00 H new ATOM 1190 N GLY A 78 2.781 -1.887 9.853 1.00 0.00 N ATOM 1191 CA GLY A 78 2.956 -2.963 8.901 1.00 0.00 C ATOM 1192 C GLY A 78 1.884 -4.007 9.045 1.00 0.00 C ATOM 1193 O GLY A 78 2.169 -5.174 9.319 1.00 0.00 O ATOM 0 H GLY A 78 2.133 -1.156 9.561 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.939 -2.560 7.888 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.934 -3.422 9.045 1.00 0.00 H new ATOM 1197 N GLU A 79 0.647 -3.583 8.889 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.481 -4.479 9.034 1.00 0.00 C ATOM 1199 C GLU A 79 -1.543 -4.192 7.991 1.00 0.00 C ATOM 1200 O GLU A 79 -1.424 -3.243 7.215 1.00 0.00 O ATOM 1201 CB GLU A 79 -1.061 -4.306 10.428 1.00 0.00 C ATOM 1202 CG GLU A 79 -1.786 -5.527 10.958 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.273 -5.290 11.149 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.639 -4.542 12.080 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -4.069 -5.851 10.367 1.00 0.00 O ATOM 0 H GLU A 79 0.397 -2.621 8.661 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.144 -5.505 8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.255 -4.050 11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.752 -3.463 10.419 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.641 -6.358 10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.344 -5.822 11.910 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.589 -5.004 7.982 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.670 -4.809 7.036 1.00 0.00 C ATOM 1214 C VAL A 80 -4.639 -3.754 7.556 1.00 0.00 C ATOM 1215 O VAL A 80 -4.832 -3.622 8.765 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.430 -6.119 6.744 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.524 -5.884 5.711 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.467 -7.200 6.273 1.00 0.00 C ATOM 0 H VAL A 80 -2.710 -5.796 8.613 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.225 -4.470 6.101 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.900 -6.458 7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.049 -6.819 5.518 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.229 -5.144 6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.078 -5.520 4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.020 -8.117 6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.967 -6.870 5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.723 -7.387 7.048 1.00 0.00 H new ATOM 1228 N SER A 81 -5.227 -2.985 6.645 1.00 0.00 N ATOM 1229 CA SER A 81 -6.148 -1.921 7.030 1.00 0.00 C ATOM 1230 C SER A 81 -7.600 -2.301 6.763 1.00 0.00 C ATOM 1231 O SER A 81 -7.890 -3.258 6.044 1.00 0.00 O ATOM 1232 CB SER A 81 -5.802 -0.633 6.283 1.00 0.00 C ATOM 1233 OG SER A 81 -6.320 0.502 6.955 1.00 0.00 O ATOM 0 H SER A 81 -5.083 -3.078 5.639 1.00 0.00 H new ATOM 0 HA SER A 81 -6.038 -1.764 8.103 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.720 -0.542 6.191 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.206 -0.676 5.271 1.00 0.00 H new ATOM 0 HG SER A 81 -7.148 0.791 6.518 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.505 -1.544 7.377 1.00 0.00 N ATOM 1240 CA GLU A 82 -9.940 -1.779 7.256 1.00 0.00 C ATOM 1241 C GLU A 82 -10.395 -1.907 5.801 1.00 0.00 C ATOM 1242 O GLU A 82 -9.752 -1.405 4.874 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.712 -0.646 7.937 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.584 -0.648 9.452 1.00 0.00 C ATOM 1245 CD GLU A 82 -10.464 0.750 10.029 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -10.961 1.701 9.390 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -9.871 0.891 11.119 1.00 0.00 O ATOM 0 H GLU A 82 -8.264 -0.751 7.972 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.151 -2.729 7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.355 0.309 7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.766 -0.723 7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.453 -1.143 9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.709 -1.232 9.738 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.532 -2.584 5.588 1.00 0.00 N ATOM 1255 CA PRO A 83 -12.094 -2.779 4.252 1.00 0.00 C ATOM 1256 C PRO A 83 -12.440 -1.461 3.578 1.00 0.00 C ATOM 1257 O PRO A 83 -13.437 -0.822 3.918 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.369 -3.590 4.508 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.690 -3.357 5.942 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.368 -3.206 6.630 1.00 0.00 C ATOM 0 HA PRO A 83 -11.387 -3.272 3.585 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.183 -3.260 3.862 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.211 -4.649 4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.301 -2.463 6.067 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.256 -4.191 6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.443 -2.578 7.518 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.966 -4.167 6.952 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.620 -1.060 2.617 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.856 0.183 1.893 1.00 0.00 C ATOM 1270 C VAL A 84 -12.479 -0.100 0.532 1.00 0.00 C ATOM 1271 O VAL A 84 -11.784 -0.447 -0.420 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.552 0.974 1.673 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.807 2.202 0.815 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.929 1.369 2.999 1.00 0.00 C ATOM 0 H VAL A 84 -10.790 -1.573 2.321 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.535 0.778 2.504 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.849 0.328 1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.873 2.746 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.199 1.894 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.531 2.848 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.010 1.926 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.627 1.993 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.702 0.472 3.576 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.795 0.058 0.450 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.510 -0.176 -0.796 1.00 0.00 C ATOM 1286 C LYS A 85 -14.761 1.135 -1.530 1.00 0.00 C ATOM 1287 O LYS A 85 -15.526 1.980 -1.066 1.00 0.00 O ATOM 1288 CB LYS A 85 -15.840 -0.883 -0.521 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.526 -1.402 -1.774 1.00 0.00 C ATOM 1290 CD LYS A 85 -17.181 -0.276 -2.559 1.00 0.00 C ATOM 1291 CE LYS A 85 -18.253 -0.800 -3.502 1.00 0.00 C ATOM 1292 NZ LYS A 85 -17.980 -0.423 -4.915 1.00 0.00 N ATOM 0 H LYS A 85 -14.386 0.346 1.230 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.892 -0.814 -1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.664 -1.717 0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.510 -0.192 -0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.797 -1.910 -2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.279 -2.140 -1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -17.623 0.441 -1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.423 0.259 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -18.310 -1.885 -3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -19.224 -0.407 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -18.768 0.150 -5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -17.100 0.128 -4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -17.882 -1.283 -5.491 1.00 0.00 H new ATOM 1306 N SER A 86 -14.114 1.294 -2.677 1.00 0.00 N ATOM 1307 CA SER A 86 -14.272 2.501 -3.479 1.00 0.00 C ATOM 1308 C SER A 86 -15.027 2.195 -4.767 1.00 0.00 C ATOM 1309 O SER A 86 -15.481 1.070 -4.978 1.00 0.00 O ATOM 1310 CB SER A 86 -12.905 3.106 -3.804 1.00 0.00 C ATOM 1311 OG SER A 86 -12.124 3.261 -2.631 1.00 0.00 O ATOM 0 H SER A 86 -13.476 0.604 -3.073 1.00 0.00 H new ATOM 0 HA SER A 86 -14.849 3.223 -2.901 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.380 2.466 -4.513 1.00 0.00 H new ATOM 0 HB3 SER A 86 -13.038 4.074 -4.287 1.00 0.00 H new ATOM 0 HG SER A 86 -11.205 3.495 -2.878 1.00 0.00 H new ATOM 1317 N GLU A 87 -15.159 3.199 -5.626 1.00 0.00 N ATOM 1318 CA GLU A 87 -15.859 3.031 -6.896 1.00 0.00 C ATOM 1319 C GLU A 87 -15.244 1.900 -7.717 1.00 0.00 C ATOM 1320 O GLU A 87 -15.890 1.342 -8.603 1.00 0.00 O ATOM 1321 CB GLU A 87 -15.826 4.334 -7.696 1.00 0.00 C ATOM 1322 CG GLU A 87 -14.457 4.994 -7.728 1.00 0.00 C ATOM 1323 CD GLU A 87 -14.372 6.204 -6.818 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -15.404 6.884 -6.635 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -13.273 6.472 -6.289 1.00 0.00 O ATOM 0 H GLU A 87 -14.791 4.137 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.895 2.772 -6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.146 4.131 -8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.546 5.031 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.700 4.267 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.227 5.296 -8.750 1.00 0.00 H new ATOM 1332 N PHE A 88 -13.989 1.569 -7.420 1.00 0.00 N ATOM 1333 CA PHE A 88 -13.288 0.509 -8.134 1.00 0.00 C ATOM 1334 C PHE A 88 -13.585 -0.863 -7.527 1.00 0.00 C ATOM 1335 O PHE A 88 -13.518 -1.881 -8.215 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.781 0.774 -8.120 1.00 0.00 C ATOM 1337 CG PHE A 88 -11.273 1.417 -9.380 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -11.253 0.712 -10.573 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -10.818 2.725 -9.371 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -10.787 1.301 -11.734 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -10.351 3.319 -10.527 1.00 0.00 C ATOM 1342 CZ PHE A 88 -10.336 2.605 -11.711 1.00 0.00 C ATOM 0 H PHE A 88 -13.439 2.021 -6.690 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.644 0.505 -9.164 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.541 1.415 -7.272 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.256 -0.169 -7.965 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.605 -0.309 -10.596 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.829 3.287 -8.449 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.776 0.741 -12.658 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.998 4.340 -10.506 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.972 3.067 -12.617 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.912 -0.884 -6.236 1.00 0.00 N ATOM 1353 CA GLY A 89 -14.210 -2.142 -5.571 1.00 0.00 C ATOM 1354 C GLY A 89 -13.728 -2.175 -4.137 1.00 0.00 C ATOM 1355 O GLY A 89 -13.396 -1.141 -3.559 1.00 0.00 O ATOM 0 H GLY A 89 -13.976 -0.057 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.286 -2.313 -5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.747 -2.959 -6.124 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.689 -3.373 -3.567 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.246 -3.558 -2.199 1.00 0.00 C ATOM 1361 C TYR A 90 -11.725 -3.632 -2.154 1.00 0.00 C ATOM 1362 O TYR A 90 -11.129 -4.618 -2.587 1.00 0.00 O ATOM 1363 CB TYR A 90 -13.877 -4.826 -1.632 1.00 0.00 C ATOM 1364 CG TYR A 90 -14.845 -4.570 -0.498 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -16.160 -4.203 -0.755 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -14.447 -4.697 0.825 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -17.050 -3.969 0.276 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -15.331 -4.466 1.862 1.00 0.00 C ATOM 1369 CZ TYR A 90 -16.630 -4.102 1.583 1.00 0.00 C ATOM 1370 OH TYR A 90 -17.513 -3.870 2.612 1.00 0.00 O ATOM 0 H TYR A 90 -13.962 -4.235 -4.039 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.560 -2.711 -1.589 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.399 -5.350 -2.432 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.086 -5.489 -1.280 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -16.492 -4.099 -1.777 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.429 -4.981 1.048 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.069 -3.684 0.059 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -15.005 -4.570 2.886 1.00 0.00 H new ATOM 0 HH TYR A 90 -17.059 -4.008 3.470 1.00 0.00 H new ATOM 1380 N HIS A 91 -11.106 -2.569 -1.661 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.654 -2.487 -1.597 1.00 0.00 C ATOM 1382 C HIS A 91 -9.097 -2.976 -0.262 1.00 0.00 C ATOM 1383 O HIS A 91 -9.787 -2.988 0.756 1.00 0.00 O ATOM 1384 CB HIS A 91 -9.213 -1.043 -1.836 1.00 0.00 C ATOM 1385 CG HIS A 91 -9.653 -0.494 -3.158 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -10.971 -0.221 -3.458 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -8.942 -0.164 -4.263 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -11.052 0.252 -4.689 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -9.835 0.297 -5.198 1.00 0.00 N ATOM 0 H HIS A 91 -11.590 -1.748 -1.298 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.258 -3.141 -2.373 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.611 -0.414 -1.040 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.126 -0.988 -1.773 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.760 -0.362 -2.828 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.872 -0.248 -4.385 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.959 0.551 -5.193 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.825 -3.358 -0.294 1.00 0.00 N ATOM 1399 CA VAL A 92 -7.112 -3.833 0.886 1.00 0.00 C ATOM 1400 C VAL A 92 -5.688 -3.291 0.865 1.00 0.00 C ATOM 1401 O VAL A 92 -5.156 -2.995 -0.205 1.00 0.00 O ATOM 1402 CB VAL A 92 -7.075 -5.372 0.948 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.487 -5.840 2.269 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.468 -5.947 0.742 1.00 0.00 C ATOM 0 H VAL A 92 -7.258 -3.347 -1.142 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.642 -3.475 1.769 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.434 -5.735 0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.469 -6.930 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.471 -5.458 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.098 -5.468 3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.423 -7.035 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.133 -5.577 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.847 -5.641 -0.233 1.00 0.00 H new ATOM 1414 N ILE A 93 -5.072 -3.136 2.031 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.715 -2.598 2.084 1.00 0.00 C ATOM 1416 C ILE A 93 -2.848 -3.284 3.135 1.00 0.00 C ATOM 1417 O ILE A 93 -3.181 -3.307 4.318 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.714 -1.075 2.358 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -5.133 -0.503 2.263 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.784 -0.363 1.385 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.193 1.004 2.397 1.00 0.00 C ATOM 0 H ILE A 93 -5.479 -3.369 2.937 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.288 -2.795 1.101 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.350 -0.909 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.568 -0.791 1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.749 -0.953 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.794 0.708 1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.771 -0.746 1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.121 -0.540 0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.229 1.335 2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.789 1.300 3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.605 1.464 1.603 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.712 -3.813 2.685 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.755 -4.474 3.566 1.00 0.00 C ATOM 1435 C LYS A 94 0.632 -3.876 3.343 1.00 0.00 C ATOM 1436 O LYS A 94 1.199 -3.990 2.256 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.735 -5.985 3.315 1.00 0.00 C ATOM 1438 CG LYS A 94 0.314 -6.725 4.129 1.00 0.00 C ATOM 1439 CD LYS A 94 0.180 -6.429 5.615 1.00 0.00 C ATOM 1440 CE LYS A 94 0.910 -7.461 6.459 1.00 0.00 C ATOM 1441 NZ LYS A 94 2.369 -7.490 6.162 1.00 0.00 N ATOM 0 H LYS A 94 -1.431 -3.795 1.705 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.056 -4.313 4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.718 -6.396 3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.555 -6.166 2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.216 -7.797 3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.309 -6.438 3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.579 -5.437 5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.875 -6.413 5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.759 -7.239 7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.483 -8.447 6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.851 -8.106 6.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.520 -7.858 5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.756 -6.527 6.229 1.00 0.00 H new ATOM 1455 N ARG A 95 1.153 -3.199 4.361 1.00 0.00 N ATOM 1456 CA ARG A 95 2.449 -2.534 4.262 1.00 0.00 C ATOM 1457 C ARG A 95 3.565 -3.500 3.891 1.00 0.00 C ATOM 1458 O ARG A 95 3.672 -4.599 4.434 1.00 0.00 O ATOM 1459 CB ARG A 95 2.786 -1.835 5.579 1.00 0.00 C ATOM 1460 CG ARG A 95 3.252 -0.398 5.404 1.00 0.00 C ATOM 1461 CD ARG A 95 4.258 -0.006 6.477 1.00 0.00 C ATOM 1462 NE ARG A 95 5.624 0.033 5.959 1.00 0.00 N ATOM 1463 CZ ARG A 95 6.135 1.064 5.290 1.00 0.00 C ATOM 1464 NH1 ARG A 95 5.399 2.143 5.054 1.00 0.00 N ATOM 1465 NH2 ARG A 95 7.387 1.016 4.856 1.00 0.00 N ATOM 0 H ARG A 95 0.696 -3.096 5.267 1.00 0.00 H new ATOM 0 HA ARG A 95 2.372 -1.796 3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.906 -1.847 6.222 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.564 -2.400 6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.703 -0.277 4.419 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.393 0.272 5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.995 0.972 6.880 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.203 -0.716 7.302 1.00 0.00 H new ATOM 0 HE ARG A 95 6.221 -0.778 6.120 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.435 2.186 5.386 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.797 2.930 4.541 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.957 0.190 5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.780 1.805 4.343 1.00 0.00 H new ATOM 1479 N LEU A 96 4.396 -3.054 2.958 1.00 0.00 N ATOM 1480 CA LEU A 96 5.518 -3.817 2.481 1.00 0.00 C ATOM 1481 C LEU A 96 6.559 -2.879 1.875 1.00 0.00 C ATOM 1482 O LEU A 96 6.301 -2.194 0.885 1.00 0.00 O ATOM 1483 CB LEU A 96 5.046 -4.846 1.448 1.00 0.00 C ATOM 1484 CG LEU A 96 5.250 -4.467 -0.025 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.698 -4.689 -0.439 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.305 -5.262 -0.916 1.00 0.00 C ATOM 0 H LEU A 96 4.300 -2.141 2.513 1.00 0.00 H new ATOM 0 HA LEU A 96 5.976 -4.350 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.567 -5.785 1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.984 -5.033 1.610 1.00 0.00 H new ATOM 0 HG LEU A 96 5.021 -3.408 -0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.823 -4.415 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.351 -4.072 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.958 -5.739 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.463 -4.980 -1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.500 -6.327 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.274 -5.048 -0.635 1.00 0.00 H new ATOM 1498 N GLY A 97 7.726 -2.848 2.480 1.00 0.00 N ATOM 1499 CA GLY A 97 8.791 -1.994 1.993 1.00 0.00 C ATOM 1500 C GLY A 97 10.162 -2.457 2.445 1.00 0.00 C ATOM 1501 O GLY A 97 11.001 -2.770 1.573 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.397 -2.507 3.670 1.00 0.00 O ATOM 0 H GLY A 97 7.962 -3.400 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.761 -1.968 0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.623 -0.975 2.341 1.00 0.00 H new