USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 677 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 75 SER OG : rot 180:sc= 0.48 USER MOD Set 1.2: A 86 THR OG1 : rot -91:sc= 0.978 USER MOD Set 2.1: A 45 GLN : amide:sc= 1.05 K(o=2.3,f=-5.1) USER MOD Set 2.2: A 47 LYS NZ :NH3+ 176:sc= 1.3 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0808 K(o=-0.081,f=-1.6) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 0.632 (180deg=0.47) USER MOD Single : A 28 THR OG1 : rot 71:sc= 0.583 USER MOD Single : A 30 SER OG : rot 58:sc= -2.87! USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.426 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -17.4! C(o=-17!,f=-12!) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -139:sc= -2.71! (180deg=-3.36!) USER MOD Single : A 69 GLN : amide:sc= -0.261 K(o=-0.26,f=-2.2) USER MOD Single : A 72 THR OG1 : rot -70:sc= -0.264 USER MOD Single : A 88 GLN : amide:sc= 0.369 K(o=0.37,f=-0.37) USER MOD Single : A 95 LYS NZ :NH3+ -179:sc= -1.29 (180deg=-1.32) USER MOD Single : A 96 THR OG1 : rot 36:sc= -2.51! USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= -4.22 K(o=-4.2,f=-6.4!) USER MOD Single : A 125 LYS NZ :NH3+ -162:sc= -0.0302 (180deg=-0.28) USER MOD Single : A 126 MET CE :methyl 149:sc= -0.79 (180deg=-2.71!) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0249 USER MOD Single : A 135 ASN : amide:sc= -2.51! C(o=-2.5!,f=-7.6!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N ILE A 12 4.479 -4.542 -9.296 1.00 0.00 N ATOM 160 CA ILE A 12 3.291 -5.258 -8.916 1.00 0.00 C ATOM 161 C ILE A 12 2.089 -4.351 -9.030 1.00 0.00 C ATOM 162 O ILE A 12 2.087 -3.235 -8.526 1.00 0.00 O ATOM 163 CB ILE A 12 3.423 -5.810 -7.469 1.00 0.00 C ATOM 164 CG1 ILE A 12 3.876 -7.265 -7.505 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.122 -5.682 -6.679 1.00 0.00 C ATOM 166 CD1 ILE A 12 2.872 -8.192 -8.162 1.00 0.00 C ATOM 0 HA ILE A 12 3.160 -6.105 -9.590 1.00 0.00 H new ATOM 0 HB ILE A 12 4.172 -5.206 -6.957 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.823 -7.330 -8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.061 -7.605 -6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.265 -6.081 -5.675 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.837 -4.632 -6.615 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.334 -6.242 -7.183 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.258 -9.211 -8.154 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.931 -8.156 -7.614 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.705 -7.876 -9.192 1.00 0.00 H new ATOM 178 N THR A 13 1.091 -4.814 -9.737 1.00 0.00 N ATOM 179 CA THR A 13 -0.149 -4.113 -9.809 1.00 0.00 C ATOM 180 C THR A 13 -1.268 -5.014 -9.344 1.00 0.00 C ATOM 181 O THR A 13 -1.332 -6.187 -9.715 1.00 0.00 O ATOM 182 CB THR A 13 -0.413 -3.639 -11.242 1.00 0.00 C ATOM 183 OG1 THR A 13 0.238 -4.520 -12.172 1.00 0.00 O ATOM 184 CG2 THR A 13 0.072 -2.211 -11.445 1.00 0.00 C ATOM 0 H THR A 13 1.121 -5.682 -10.273 1.00 0.00 H new ATOM 0 HA THR A 13 -0.100 -3.238 -9.161 1.00 0.00 H new ATOM 0 HB THR A 13 -1.489 -3.657 -11.418 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.066 -4.215 -13.087 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.128 -1.901 -12.471 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.452 -1.548 -10.757 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.144 -2.160 -11.253 1.00 0.00 H new ATOM 192 N LYS A 14 -2.121 -4.484 -8.501 1.00 0.00 N ATOM 193 CA LYS A 14 -3.296 -5.200 -8.077 1.00 0.00 C ATOM 194 C LYS A 14 -4.490 -4.321 -8.344 1.00 0.00 C ATOM 195 O LYS A 14 -4.516 -3.171 -7.923 1.00 0.00 O ATOM 196 CB LYS A 14 -3.218 -5.531 -6.583 1.00 0.00 C ATOM 197 CG LYS A 14 -3.986 -6.786 -6.183 1.00 0.00 C ATOM 198 CD LYS A 14 -3.200 -8.069 -6.472 1.00 0.00 C ATOM 199 CE LYS A 14 -2.967 -8.289 -7.959 1.00 0.00 C ATOM 200 NZ LYS A 14 -2.254 -9.564 -8.241 1.00 0.00 N ATOM 0 H LYS A 14 -2.021 -3.554 -8.094 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.377 -6.139 -8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.172 -5.653 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.603 -4.685 -6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.223 -6.740 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.934 -6.815 -6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.239 -8.025 -5.960 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.741 -8.922 -6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.926 -8.290 -8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.389 -7.457 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.120 -9.667 -9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.327 -9.555 -7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.816 -10.363 -7.884 1.00 0.00 H new ATOM 214 N SER A 15 -5.480 -4.839 -9.022 1.00 0.00 N ATOM 215 CA SER A 15 -6.618 -4.033 -9.342 1.00 0.00 C ATOM 216 C SER A 15 -7.913 -4.650 -8.888 1.00 0.00 C ATOM 217 O SER A 15 -8.157 -5.854 -9.011 1.00 0.00 O ATOM 218 CB SER A 15 -6.654 -3.731 -10.823 1.00 0.00 C ATOM 219 OG SER A 15 -6.123 -4.805 -11.588 1.00 0.00 O ATOM 0 H SER A 15 -5.518 -5.802 -9.357 1.00 0.00 H new ATOM 0 HA SER A 15 -6.510 -3.098 -8.793 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.682 -3.537 -11.131 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.085 -2.824 -11.024 1.00 0.00 H new ATOM 0 HG SER A 15 -6.162 -4.579 -12.541 1.00 0.00 H new ATOM 225 N ILE A 16 -8.723 -3.781 -8.351 1.00 0.00 N ATOM 226 CA ILE A 16 -10.016 -4.103 -7.848 1.00 0.00 C ATOM 227 C ILE A 16 -10.890 -2.882 -7.985 1.00 0.00 C ATOM 228 O ILE A 16 -10.403 -1.754 -7.934 1.00 0.00 O ATOM 229 CB ILE A 16 -9.967 -4.534 -6.371 1.00 0.00 C ATOM 230 CG1 ILE A 16 -11.371 -4.434 -5.764 1.00 0.00 C ATOM 231 CG2 ILE A 16 -8.938 -3.718 -5.595 1.00 0.00 C ATOM 232 CD1 ILE A 16 -11.506 -3.554 -4.550 1.00 0.00 C ATOM 0 H ILE A 16 -8.486 -2.794 -8.251 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.415 -4.941 -8.419 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.644 -5.573 -6.306 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.051 -4.066 -6.532 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.703 -5.438 -5.499 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.925 -4.044 -4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.951 -3.865 -6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.202 -2.661 -5.641 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -12.541 -3.561 -4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.860 -3.928 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.214 -2.535 -4.805 1.00 0.00 H new ATOM 244 N THR A 17 -12.160 -3.088 -8.173 1.00 0.00 N ATOM 245 CA THR A 17 -13.060 -1.981 -8.137 1.00 0.00 C ATOM 246 C THR A 17 -13.603 -1.859 -6.732 1.00 0.00 C ATOM 247 O THR A 17 -14.264 -2.767 -6.222 1.00 0.00 O ATOM 248 CB THR A 17 -14.232 -2.169 -9.102 1.00 0.00 C ATOM 249 OG1 THR A 17 -13.744 -2.396 -10.432 1.00 0.00 O ATOM 250 CG2 THR A 17 -15.137 -0.944 -9.075 1.00 0.00 C ATOM 0 H THR A 17 -12.588 -3.997 -8.350 1.00 0.00 H new ATOM 0 HA THR A 17 -12.518 -1.084 -8.437 1.00 0.00 H new ATOM 0 HB THR A 17 -14.811 -3.038 -8.787 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.501 -2.517 -11.042 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.967 -1.090 -9.766 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.525 -0.800 -8.067 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.567 -0.064 -9.373 1.00 0.00 H new ATOM 258 N LEU A 18 -13.339 -0.728 -6.116 1.00 0.00 N ATOM 259 CA LEU A 18 -13.843 -0.461 -4.812 1.00 0.00 C ATOM 260 C LEU A 18 -15.151 0.189 -5.035 1.00 0.00 C ATOM 261 O LEU A 18 -15.192 1.319 -5.515 1.00 0.00 O ATOM 262 CB LEU A 18 -12.945 0.520 -4.055 1.00 0.00 C ATOM 263 CG LEU A 18 -11.477 0.158 -3.984 1.00 0.00 C ATOM 264 CD1 LEU A 18 -10.659 1.376 -3.610 1.00 0.00 C ATOM 265 CD2 LEU A 18 -11.247 -0.953 -2.977 1.00 0.00 C ATOM 0 H LEU A 18 -12.771 0.021 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.900 -1.377 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.035 1.500 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.324 0.618 -3.038 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.161 -0.196 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.604 1.105 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.800 2.153 -4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.983 1.748 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.185 -1.198 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.577 -0.625 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.813 -1.836 -3.274 1.00 0.00 H new ATOM 277 N GLU A 19 -16.226 -0.491 -4.772 1.00 0.00 N ATOM 278 CA GLU A 19 -17.465 0.178 -4.917 1.00 0.00 C ATOM 279 C GLU A 19 -17.573 1.118 -3.744 1.00 0.00 C ATOM 280 O GLU A 19 -18.128 0.785 -2.705 1.00 0.00 O ATOM 281 CB GLU A 19 -18.566 -0.873 -4.917 1.00 0.00 C ATOM 282 CG GLU A 19 -18.229 -2.070 -4.030 1.00 0.00 C ATOM 283 CD GLU A 19 -19.056 -3.296 -4.342 1.00 0.00 C ATOM 284 OE1 GLU A 19 -18.748 -3.980 -5.342 1.00 0.00 O ATOM 285 OE2 GLU A 19 -19.995 -3.599 -3.577 1.00 0.00 O ATOM 0 H GLU A 19 -16.266 -1.464 -4.470 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.549 0.746 -5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.496 -0.421 -4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.736 -1.217 -5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.173 -2.313 -4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.380 -1.794 -2.986 1.00 0.00 H new ATOM 292 N ALA A 20 -17.036 2.308 -3.938 1.00 0.00 N ATOM 293 CA ALA A 20 -17.028 3.313 -2.906 1.00 0.00 C ATOM 294 C ALA A 20 -17.009 4.688 -3.517 1.00 0.00 C ATOM 295 O ALA A 20 -16.814 4.833 -4.711 1.00 0.00 O ATOM 296 CB ALA A 20 -15.826 3.124 -2.005 1.00 0.00 C ATOM 0 H ALA A 20 -16.597 2.598 -4.812 1.00 0.00 H new ATOM 0 HA ALA A 20 -17.934 3.210 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -15.830 3.889 -1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -15.869 2.138 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.913 3.209 -2.594 1.00 0.00 H new ATOM 302 N PRO A 21 -17.225 5.717 -2.719 1.00 0.00 N ATOM 303 CA PRO A 21 -16.912 7.064 -3.135 1.00 0.00 C ATOM 304 C PRO A 21 -15.419 7.312 -2.969 1.00 0.00 C ATOM 305 O PRO A 21 -14.775 6.727 -2.090 1.00 0.00 O ATOM 306 CB PRO A 21 -17.707 7.917 -2.168 1.00 0.00 C ATOM 307 CG PRO A 21 -17.744 7.106 -0.919 1.00 0.00 C ATOM 308 CD PRO A 21 -17.765 5.663 -1.353 1.00 0.00 C ATOM 0 HA PRO A 21 -17.153 7.272 -4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -17.230 8.883 -2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.710 8.117 -2.544 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.874 7.312 -0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -18.626 7.346 -0.325 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.154 5.038 -0.702 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -18.774 5.251 -1.335 1.00 0.00 H new ATOM 316 N ILE A 22 -14.885 8.183 -3.805 1.00 0.00 N ATOM 317 CA ILE A 22 -13.460 8.508 -3.804 1.00 0.00 C ATOM 318 C ILE A 22 -13.009 8.970 -2.428 1.00 0.00 C ATOM 319 O ILE A 22 -11.885 8.730 -2.004 1.00 0.00 O ATOM 320 CB ILE A 22 -13.177 9.594 -4.859 1.00 0.00 C ATOM 321 CG1 ILE A 22 -11.700 9.991 -4.855 1.00 0.00 C ATOM 322 CG2 ILE A 22 -14.069 10.806 -4.616 1.00 0.00 C ATOM 323 CD1 ILE A 22 -11.310 10.915 -5.982 1.00 0.00 C ATOM 0 H ILE A 22 -15.424 8.689 -4.508 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.895 7.610 -4.055 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.406 9.187 -5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.467 10.474 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.092 9.088 -4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.861 11.568 -5.367 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.115 10.507 -4.683 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.870 11.211 -3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -10.248 11.150 -5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.510 10.429 -6.937 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.890 11.835 -5.915 1.00 0.00 H new ATOM 335 N GLN A 23 -13.927 9.613 -1.752 1.00 0.00 N ATOM 336 CA GLN A 23 -13.734 10.137 -0.416 1.00 0.00 C ATOM 337 C GLN A 23 -13.598 9.052 0.665 1.00 0.00 C ATOM 338 O GLN A 23 -12.946 9.272 1.684 1.00 0.00 O ATOM 339 CB GLN A 23 -14.873 11.087 -0.120 1.00 0.00 C ATOM 340 CG GLN A 23 -16.198 10.497 -0.507 1.00 0.00 C ATOM 341 CD GLN A 23 -17.050 10.106 0.684 1.00 0.00 C ATOM 342 OE1 GLN A 23 -16.536 9.760 1.748 1.00 0.00 O ATOM 343 NE2 GLN A 23 -18.360 10.161 0.512 1.00 0.00 N ATOM 0 H GLN A 23 -14.859 9.794 -2.124 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.780 10.663 -0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -14.878 11.330 0.943 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.718 12.021 -0.660 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -16.745 11.217 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -16.029 9.618 -1.129 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -18.745 10.453 -0.386 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -18.986 9.911 1.278 1.00 0.00 H new ATOM 352 N LYS A 24 -14.217 7.892 0.482 1.00 0.00 N ATOM 353 CA LYS A 24 -14.100 6.843 1.495 1.00 0.00 C ATOM 354 C LYS A 24 -12.760 6.126 1.336 1.00 0.00 C ATOM 355 O LYS A 24 -12.075 5.805 2.309 1.00 0.00 O ATOM 356 CB LYS A 24 -15.238 5.832 1.358 1.00 0.00 C ATOM 357 CG LYS A 24 -15.325 4.870 2.530 1.00 0.00 C ATOM 358 CD LYS A 24 -16.130 5.450 3.681 1.00 0.00 C ATOM 359 CE LYS A 24 -17.628 5.362 3.416 1.00 0.00 C ATOM 360 NZ LYS A 24 -18.098 3.950 3.343 1.00 0.00 N ATOM 0 H LYS A 24 -14.788 7.655 -0.329 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.158 7.303 2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -16.183 6.368 1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -15.102 5.263 0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.783 3.937 2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.320 4.627 2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.890 4.915 4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.847 6.491 3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -18.168 5.884 4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.862 5.871 2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.137 3.931 3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.720 3.502 2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.765 3.430 4.180 1.00 0.00 H new ATOM 374 N VAL A 25 -12.370 5.940 0.090 1.00 0.00 N ATOM 375 CA VAL A 25 -11.033 5.490 -0.253 1.00 0.00 C ATOM 376 C VAL A 25 -10.015 6.549 0.161 1.00 0.00 C ATOM 377 O VAL A 25 -8.888 6.242 0.525 1.00 0.00 O ATOM 378 CB VAL A 25 -10.908 5.146 -1.746 1.00 0.00 C ATOM 379 CG1 VAL A 25 -9.613 4.393 -1.993 1.00 0.00 C ATOM 380 CG2 VAL A 25 -12.112 4.319 -2.194 1.00 0.00 C ATOM 0 H VAL A 25 -12.973 6.097 -0.717 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.829 4.570 0.294 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.889 6.067 -2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.529 4.151 -3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.768 5.014 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.611 3.472 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.015 4.080 -3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.155 3.396 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.026 4.891 -2.033 1.00 0.00 H new ATOM 390 N TRP A 26 -10.430 7.799 0.070 1.00 0.00 N ATOM 391 CA TRP A 26 -9.650 8.937 0.554 1.00 0.00 C ATOM 392 C TRP A 26 -9.294 8.722 2.013 1.00 0.00 C ATOM 393 O TRP A 26 -8.195 9.039 2.439 1.00 0.00 O ATOM 394 CB TRP A 26 -10.543 10.166 0.446 1.00 0.00 C ATOM 395 CG TRP A 26 -9.892 11.475 0.179 1.00 0.00 C ATOM 396 CD1 TRP A 26 -8.985 12.175 0.921 1.00 0.00 C ATOM 397 CD2 TRP A 26 -10.204 12.271 -0.940 1.00 0.00 C ATOM 398 NE1 TRP A 26 -8.708 13.373 0.292 1.00 0.00 N ATOM 399 CE2 TRP A 26 -9.455 13.448 -0.861 1.00 0.00 C ATOM 400 CE3 TRP A 26 -11.056 12.068 -2.009 1.00 0.00 C ATOM 401 CZ2 TRP A 26 -9.545 14.438 -1.835 1.00 0.00 C ATOM 402 CZ3 TRP A 26 -11.153 13.030 -2.974 1.00 0.00 C ATOM 403 CH2 TRP A 26 -10.399 14.212 -2.890 1.00 0.00 C ATOM 0 H TRP A 26 -11.324 8.061 -0.344 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.734 9.054 -0.025 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -11.268 9.984 -0.348 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.104 10.255 1.376 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.552 11.844 1.853 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -8.058 14.084 0.627 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.637 11.161 -2.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -8.967 15.348 -1.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -11.818 12.880 -3.812 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -10.491 14.956 -3.667 1.00 0.00 H new ATOM 414 N GLU A 27 -10.260 8.224 2.767 1.00 0.00 N ATOM 415 CA GLU A 27 -10.040 7.768 4.137 1.00 0.00 C ATOM 416 C GLU A 27 -9.178 6.505 4.197 1.00 0.00 C ATOM 417 O GLU A 27 -8.553 6.226 5.220 1.00 0.00 O ATOM 418 CB GLU A 27 -11.366 7.503 4.832 1.00 0.00 C ATOM 419 CG GLU A 27 -12.203 8.749 5.026 1.00 0.00 C ATOM 420 CD GLU A 27 -11.468 9.803 5.824 1.00 0.00 C ATOM 421 OE1 GLU A 27 -11.387 9.671 7.060 1.00 0.00 O ATOM 422 OE2 GLU A 27 -10.957 10.764 5.219 1.00 0.00 O ATOM 0 H GLU A 27 -11.224 8.123 2.449 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.506 8.567 4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.935 6.779 4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.174 7.048 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.479 9.156 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.130 8.488 5.536 1.00 0.00 H new ATOM 429 N THR A 28 -9.233 5.695 3.149 1.00 0.00 N ATOM 430 CA THR A 28 -8.597 4.383 3.169 1.00 0.00 C ATOM 431 C THR A 28 -7.211 4.242 2.472 1.00 0.00 C ATOM 432 O THR A 28 -6.589 3.203 2.608 1.00 0.00 O ATOM 433 CB THR A 28 -9.550 3.313 2.644 1.00 0.00 C ATOM 434 OG1 THR A 28 -10.869 3.548 3.157 1.00 0.00 O ATOM 435 CG2 THR A 28 -9.081 1.951 3.102 1.00 0.00 C ATOM 0 H THR A 28 -9.710 5.921 2.276 1.00 0.00 H new ATOM 0 HA THR A 28 -8.373 4.241 4.226 1.00 0.00 H new ATOM 0 HB THR A 28 -9.567 3.352 1.555 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.248 4.346 2.732 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.762 1.187 2.727 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.078 1.764 2.718 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.064 1.919 4.191 1.00 0.00 H new ATOM 443 N VAL A 29 -6.717 5.216 1.710 1.00 0.00 N ATOM 444 CA VAL A 29 -5.438 5.004 0.990 1.00 0.00 C ATOM 445 C VAL A 29 -4.440 6.152 1.158 1.00 0.00 C ATOM 446 O VAL A 29 -3.367 5.970 1.714 1.00 0.00 O ATOM 447 CB VAL A 29 -5.618 4.692 -0.520 1.00 0.00 C ATOM 448 CG1 VAL A 29 -6.356 3.393 -0.706 1.00 0.00 C ATOM 449 CG2 VAL A 29 -6.329 5.806 -1.259 1.00 0.00 C ATOM 0 H VAL A 29 -7.152 6.128 1.570 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.021 4.120 1.472 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.619 4.605 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.473 3.190 -1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.791 2.584 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.339 3.463 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.430 5.538 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.318 5.956 -0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.752 6.726 -1.172 1.00 0.00 H new ATOM 459 N SER A 30 -4.757 7.326 0.679 1.00 0.00 N ATOM 460 CA SER A 30 -3.815 8.425 0.788 1.00 0.00 C ATOM 461 C SER A 30 -4.178 9.280 1.973 1.00 0.00 C ATOM 462 O SER A 30 -4.627 10.417 1.835 1.00 0.00 O ATOM 463 CB SER A 30 -3.803 9.244 -0.487 1.00 0.00 C ATOM 464 OG SER A 30 -5.117 9.613 -0.861 1.00 0.00 O ATOM 0 H SER A 30 -5.639 7.551 0.218 1.00 0.00 H new ATOM 0 HA SER A 30 -2.812 8.026 0.935 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.196 10.138 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.340 8.669 -1.289 1.00 0.00 H new ATOM 0 HG SER A 30 -5.536 10.115 -0.131 1.00 0.00 H new ATOM 470 N THR A 31 -4.030 8.696 3.133 1.00 0.00 N ATOM 471 CA THR A 31 -4.578 9.265 4.327 1.00 0.00 C ATOM 472 C THR A 31 -3.838 8.756 5.549 1.00 0.00 C ATOM 473 O THR A 31 -2.841 8.055 5.424 1.00 0.00 O ATOM 474 CB THR A 31 -6.084 8.959 4.375 1.00 0.00 C ATOM 475 OG1 THR A 31 -6.680 9.314 5.630 1.00 0.00 O ATOM 476 CG2 THR A 31 -6.311 7.499 4.061 1.00 0.00 C ATOM 0 H THR A 31 -3.529 7.819 3.272 1.00 0.00 H new ATOM 0 HA THR A 31 -4.452 10.348 4.324 1.00 0.00 H new ATOM 0 HB THR A 31 -6.574 9.575 3.621 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.637 9.102 5.609 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.378 7.281 4.095 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.927 7.277 3.065 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.792 6.884 4.796 1.00 0.00 H new ATOM 484 N SER A 32 -4.299 9.177 6.702 1.00 0.00 N ATOM 485 CA SER A 32 -3.820 8.695 7.980 1.00 0.00 C ATOM 486 C SER A 32 -4.097 7.200 8.100 1.00 0.00 C ATOM 487 O SER A 32 -4.712 6.600 7.216 1.00 0.00 O ATOM 488 CB SER A 32 -4.499 9.427 9.128 1.00 0.00 C ATOM 489 OG SER A 32 -4.326 10.831 9.021 1.00 0.00 O ATOM 0 H SER A 32 -5.034 9.880 6.782 1.00 0.00 H new ATOM 0 HA SER A 32 -2.747 8.881 8.036 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.563 9.189 9.135 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.089 9.080 10.076 1.00 0.00 H new ATOM 0 HG SER A 32 -4.775 11.274 9.771 1.00 0.00 H new ATOM 495 N GLU A 33 -3.560 6.612 9.163 1.00 0.00 N ATOM 496 CA GLU A 33 -3.384 5.164 9.353 1.00 0.00 C ATOM 497 C GLU A 33 -4.630 4.317 9.042 1.00 0.00 C ATOM 498 O GLU A 33 -4.579 3.095 9.139 1.00 0.00 O ATOM 499 CB GLU A 33 -2.963 4.910 10.792 1.00 0.00 C ATOM 500 CG GLU A 33 -1.997 5.952 11.323 1.00 0.00 C ATOM 501 CD GLU A 33 -1.925 5.948 12.833 1.00 0.00 C ATOM 502 OE1 GLU A 33 -2.790 6.583 13.472 1.00 0.00 O ATOM 503 OE2 GLU A 33 -1.015 5.306 13.391 1.00 0.00 O ATOM 0 H GLU A 33 -3.217 7.152 9.958 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.624 4.853 8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.850 4.889 11.425 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.500 3.926 10.860 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.004 5.767 10.913 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.305 6.939 10.978 1.00 0.00 H new ATOM 510 N GLY A 34 -5.754 4.942 8.734 1.00 0.00 N ATOM 511 CA GLY A 34 -6.877 4.183 8.226 1.00 0.00 C ATOM 512 C GLY A 34 -6.489 3.418 6.974 1.00 0.00 C ATOM 513 O GLY A 34 -6.978 2.315 6.747 1.00 0.00 O ATOM 0 H GLY A 34 -5.909 5.946 8.824 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.226 3.487 8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.706 4.856 8.004 1.00 0.00 H new ATOM 517 N ILE A 35 -5.614 3.999 6.149 1.00 0.00 N ATOM 518 CA ILE A 35 -5.038 3.270 5.051 1.00 0.00 C ATOM 519 C ILE A 35 -4.063 2.207 5.548 1.00 0.00 C ATOM 520 O ILE A 35 -3.954 1.118 4.997 1.00 0.00 O ATOM 521 CB ILE A 35 -4.391 4.203 4.016 1.00 0.00 C ATOM 522 CG1 ILE A 35 -3.530 3.418 3.024 1.00 0.00 C ATOM 523 CG2 ILE A 35 -3.595 5.323 4.664 1.00 0.00 C ATOM 524 CD1 ILE A 35 -2.054 3.544 3.305 1.00 0.00 C ATOM 0 H ILE A 35 -5.300 4.966 6.232 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.851 2.756 4.539 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.205 4.672 3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.813 2.366 3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.734 3.771 2.013 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.158 5.954 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.255 5.922 5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.800 4.897 5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.493 2.967 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.760 4.592 3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.840 3.165 4.304 1.00 0.00 H new ATOM 536 N ALA A 36 -3.356 2.549 6.602 1.00 0.00 N ATOM 537 CA ALA A 36 -2.452 1.609 7.277 1.00 0.00 C ATOM 538 C ALA A 36 -3.193 0.319 7.667 1.00 0.00 C ATOM 539 O ALA A 36 -2.590 -0.748 7.767 1.00 0.00 O ATOM 540 CB ALA A 36 -1.811 2.261 8.501 1.00 0.00 C ATOM 0 H ALA A 36 -3.382 3.478 7.023 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.658 1.342 6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.145 1.548 8.986 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.241 3.136 8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.589 2.565 9.201 1.00 0.00 H new ATOM 689 N GLN A 45 0.365 8.635 6.346 1.00 0.00 N ATOM 690 CA GLN A 45 -0.448 9.842 6.395 1.00 0.00 C ATOM 691 C GLN A 45 -0.145 10.581 5.108 1.00 0.00 C ATOM 692 O GLN A 45 1.012 10.562 4.689 1.00 0.00 O ATOM 693 CB GLN A 45 -0.038 10.679 7.611 1.00 0.00 C ATOM 694 CG GLN A 45 -0.079 9.899 8.915 1.00 0.00 C ATOM 695 CD GLN A 45 0.996 10.325 9.892 1.00 0.00 C ATOM 696 OE1 GLN A 45 1.390 11.491 9.930 1.00 0.00 O ATOM 697 NE2 GLN A 45 1.501 9.375 10.662 1.00 0.00 N ATOM 0 HA GLN A 45 -1.513 9.629 6.488 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.970 11.063 7.456 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.699 11.542 7.690 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.057 10.029 9.379 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.033 8.836 8.700 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.144 8.422 10.597 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.248 9.596 11.321 1.00 0.00 H new ATOM 706 N LEU A 46 -1.112 11.216 4.444 1.00 0.00 N ATOM 707 CA LEU A 46 -0.784 11.739 3.126 1.00 0.00 C ATOM 708 C LEU A 46 0.104 12.970 3.266 1.00 0.00 C ATOM 709 O LEU A 46 -0.320 14.080 3.596 1.00 0.00 O ATOM 710 CB LEU A 46 -2.020 12.014 2.248 1.00 0.00 C ATOM 711 CG LEU A 46 -2.827 13.276 2.551 1.00 0.00 C ATOM 712 CD1 LEU A 46 -3.848 13.528 1.453 1.00 0.00 C ATOM 713 CD2 LEU A 46 -3.522 13.179 3.902 1.00 0.00 C ATOM 0 H LEU A 46 -2.065 11.372 4.771 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.233 10.962 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.692 12.064 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.689 11.158 2.330 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.132 14.115 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.415 14.430 1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.334 13.656 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.528 12.679 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.087 14.093 4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.201 12.326 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.776 13.049 4.686 1.00 0.00 H new ATOM 725 N LYS A 47 1.358 12.699 3.028 1.00 0.00 N ATOM 726 CA LYS A 47 2.444 13.633 3.160 1.00 0.00 C ATOM 727 C LYS A 47 3.294 13.521 1.931 1.00 0.00 C ATOM 728 O LYS A 47 3.207 12.527 1.261 1.00 0.00 O ATOM 729 CB LYS A 47 3.228 13.337 4.425 1.00 0.00 C ATOM 730 CG LYS A 47 2.665 14.074 5.620 1.00 0.00 C ATOM 731 CD LYS A 47 3.186 13.544 6.943 1.00 0.00 C ATOM 732 CE LYS A 47 2.502 14.244 8.108 1.00 0.00 C ATOM 733 NZ LYS A 47 2.895 13.676 9.423 1.00 0.00 N ATOM 0 H LYS A 47 1.666 11.776 2.722 1.00 0.00 H new ATOM 0 HA LYS A 47 2.078 14.656 3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.213 12.265 4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.271 13.620 4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.912 15.132 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.578 13.998 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.012 12.470 7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.264 13.696 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.749 15.305 8.086 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.421 14.166 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.455 14.230 10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.575 12.688 9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.930 13.712 9.521 1.00 0.00 H new ATOM 747 N GLU A 48 3.987 14.559 1.545 1.00 0.00 N ATOM 748 CA GLU A 48 4.896 14.457 0.412 1.00 0.00 C ATOM 749 C GLU A 48 6.320 14.854 0.780 1.00 0.00 C ATOM 750 O GLU A 48 6.541 15.914 1.365 1.00 0.00 O ATOM 751 CB GLU A 48 4.376 15.240 -0.772 1.00 0.00 C ATOM 752 CG GLU A 48 3.347 14.474 -1.577 1.00 0.00 C ATOM 753 CD GLU A 48 2.645 15.367 -2.574 1.00 0.00 C ATOM 754 OE1 GLU A 48 1.865 16.243 -2.151 1.00 0.00 O ATOM 755 OE2 GLU A 48 2.888 15.208 -3.789 1.00 0.00 O ATOM 0 H GLU A 48 3.948 15.478 1.985 1.00 0.00 H new ATOM 0 HA GLU A 48 4.937 13.408 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.934 16.172 -0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.211 15.508 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.833 13.652 -2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.613 14.032 -0.904 1.00 0.00 H new ATOM 762 N GLY A 49 7.271 13.990 0.436 1.00 0.00 N ATOM 763 CA GLY A 49 8.684 14.226 0.724 1.00 0.00 C ATOM 764 C GLY A 49 8.919 14.514 2.188 1.00 0.00 C ATOM 765 O GLY A 49 9.702 15.384 2.565 1.00 0.00 O ATOM 0 H GLY A 49 7.086 13.111 -0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.266 13.353 0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.041 15.065 0.127 1.00 0.00 H new ATOM 769 N GLN A 50 8.202 13.767 2.985 1.00 0.00 N ATOM 770 CA GLN A 50 8.188 13.875 4.414 1.00 0.00 C ATOM 771 C GLN A 50 8.942 12.701 4.976 1.00 0.00 C ATOM 772 O GLN A 50 9.331 11.811 4.228 1.00 0.00 O ATOM 773 CB GLN A 50 6.737 13.820 4.872 1.00 0.00 C ATOM 774 CG GLN A 50 6.246 12.407 5.090 1.00 0.00 C ATOM 775 CD GLN A 50 6.257 11.625 3.807 1.00 0.00 C ATOM 776 OE1 GLN A 50 6.588 10.455 3.783 1.00 0.00 O ATOM 777 NE2 GLN A 50 5.881 12.280 2.728 1.00 0.00 N ATOM 0 H GLN A 50 7.584 13.034 2.636 1.00 0.00 H new ATOM 0 HA GLN A 50 8.648 14.804 4.750 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.631 14.384 5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.107 14.308 4.128 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.876 11.910 5.828 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.235 12.429 5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.612 13.261 2.795 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.859 11.806 1.825 1.00 0.00 H new ATOM 786 N GLU A 51 9.174 12.682 6.256 1.00 0.00 N ATOM 787 CA GLU A 51 9.469 11.420 6.874 1.00 0.00 C ATOM 788 C GLU A 51 8.488 11.190 8.021 1.00 0.00 C ATOM 789 O GLU A 51 8.320 12.051 8.883 1.00 0.00 O ATOM 790 CB GLU A 51 10.930 11.370 7.332 1.00 0.00 C ATOM 791 CG GLU A 51 11.900 11.777 6.227 1.00 0.00 C ATOM 792 CD GLU A 51 13.344 11.430 6.512 1.00 0.00 C ATOM 793 OE1 GLU A 51 13.842 11.763 7.607 1.00 0.00 O ATOM 794 OE2 GLU A 51 13.994 10.839 5.621 1.00 0.00 O ATOM 0 H GLU A 51 9.166 13.493 6.875 1.00 0.00 H new ATOM 0 HA GLU A 51 9.346 10.611 6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.062 12.030 8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.168 10.361 7.668 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.598 11.294 5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.821 12.852 6.067 1.00 0.00 H new ATOM 966 N CYS A 63 9.924 6.561 6.360 1.00 0.00 N ATOM 967 CA CYS A 63 9.387 6.506 5.020 1.00 0.00 C ATOM 968 C CYS A 63 9.292 7.915 4.459 1.00 0.00 C ATOM 969 O CYS A 63 9.281 8.880 5.221 1.00 0.00 O ATOM 970 CB CYS A 63 8.005 5.856 5.069 1.00 0.00 C ATOM 971 SG CYS A 63 7.975 4.221 5.841 1.00 0.00 S ATOM 0 HA CYS A 63 10.038 5.916 4.375 1.00 0.00 H new ATOM 0 HB2 CYS A 63 7.327 6.514 5.613 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.620 5.772 4.053 1.00 0.00 H new ATOM 0 HG CYS A 63 6.759 3.760 5.834 1.00 0.00 H new ATOM 977 N LYS A 64 9.224 8.037 3.141 1.00 0.00 N ATOM 978 CA LYS A 64 9.101 9.342 2.511 1.00 0.00 C ATOM 979 C LYS A 64 8.205 9.225 1.306 1.00 0.00 C ATOM 980 O LYS A 64 8.376 8.321 0.485 1.00 0.00 O ATOM 981 CB LYS A 64 10.471 9.890 2.090 1.00 0.00 C ATOM 982 CG LYS A 64 10.409 11.267 1.447 1.00 0.00 C ATOM 983 CD LYS A 64 11.792 11.852 1.172 1.00 0.00 C ATOM 984 CE LYS A 64 12.563 12.153 2.455 1.00 0.00 C ATOM 985 NZ LYS A 64 13.160 10.931 3.061 1.00 0.00 N ATOM 0 H LYS A 64 9.252 7.252 2.491 1.00 0.00 H new ATOM 0 HA LYS A 64 8.671 10.037 3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.118 9.937 2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.932 9.193 1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.854 11.202 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.856 11.943 2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.365 11.153 0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.687 12.768 0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.354 12.872 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.894 12.622 3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.045 10.964 4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.681 10.088 2.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.172 10.887 2.827 1.00 0.00 H new ATOM 999 N VAL A 65 7.234 10.111 1.196 1.00 0.00 N ATOM 1000 CA VAL A 65 6.349 10.052 0.063 1.00 0.00 C ATOM 1001 C VAL A 65 6.991 10.703 -1.148 1.00 0.00 C ATOM 1002 O VAL A 65 7.468 11.830 -1.085 1.00 0.00 O ATOM 1003 CB VAL A 65 5.004 10.721 0.347 1.00 0.00 C ATOM 1004 CG1 VAL A 65 4.184 10.853 -0.919 1.00 0.00 C ATOM 1005 CG2 VAL A 65 4.216 9.943 1.388 1.00 0.00 C ATOM 0 H VAL A 65 7.045 10.860 1.862 1.00 0.00 H new ATOM 0 HA VAL A 65 6.165 8.997 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 65 5.212 11.718 0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.233 11.332 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.728 11.458 -1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.000 9.864 -1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.264 10.441 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.033 8.932 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.786 9.897 2.316 1.00 0.00 H new ATOM 1015 N LEU A 66 7.009 9.964 -2.235 1.00 0.00 N ATOM 1016 CA LEU A 66 7.474 10.468 -3.505 1.00 0.00 C ATOM 1017 C LEU A 66 6.526 11.540 -4.009 1.00 0.00 C ATOM 1018 O LEU A 66 6.937 12.636 -4.384 1.00 0.00 O ATOM 1019 CB LEU A 66 7.533 9.322 -4.518 1.00 0.00 C ATOM 1020 CG LEU A 66 8.822 8.504 -4.509 1.00 0.00 C ATOM 1021 CD1 LEU A 66 10.028 9.395 -4.766 1.00 0.00 C ATOM 1022 CD2 LEU A 66 8.969 7.764 -3.193 1.00 0.00 C ATOM 0 H LEU A 66 6.700 8.992 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 66 8.468 10.896 -3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.695 8.650 -4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.392 9.735 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 66 8.769 7.769 -5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.935 8.791 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.924 9.876 -5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.090 10.157 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.893 7.185 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.998 8.482 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.121 7.092 -3.057 1.00 0.00 H new ATOM 1034 N ALA A 67 5.256 11.194 -4.013 1.00 0.00 N ATOM 1035 CA ALA A 67 4.215 12.059 -4.506 1.00 0.00 C ATOM 1036 C ALA A 67 2.904 11.627 -3.904 1.00 0.00 C ATOM 1037 O ALA A 67 2.675 10.436 -3.720 1.00 0.00 O ATOM 1038 CB ALA A 67 4.148 12.000 -6.016 1.00 0.00 C ATOM 0 H ALA A 67 4.918 10.295 -3.670 1.00 0.00 H new ATOM 0 HA ALA A 67 4.429 13.089 -4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.356 12.659 -6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.102 12.320 -6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.938 10.978 -6.331 1.00 0.00 H new ATOM 1044 N VAL A 68 2.050 12.558 -3.580 1.00 0.00 N ATOM 1045 CA VAL A 68 0.745 12.189 -3.104 1.00 0.00 C ATOM 1046 C VAL A 68 -0.325 13.056 -3.752 1.00 0.00 C ATOM 1047 O VAL A 68 -0.196 14.279 -3.850 1.00 0.00 O ATOM 1048 CB VAL A 68 0.615 12.191 -1.560 1.00 0.00 C ATOM 1049 CG1 VAL A 68 0.263 13.561 -1.006 1.00 0.00 C ATOM 1050 CG2 VAL A 68 -0.413 11.157 -1.150 1.00 0.00 C ATOM 0 H VAL A 68 2.228 13.561 -3.635 1.00 0.00 H new ATOM 0 HA VAL A 68 0.593 11.152 -3.404 1.00 0.00 H new ATOM 0 HB VAL A 68 1.586 11.935 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.184 13.505 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.041 14.274 -1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.690 13.888 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.511 11.152 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.375 11.402 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.094 10.172 -1.490 1.00 0.00 H new ATOM 1060 N GLN A 69 -1.360 12.400 -4.226 1.00 0.00 N ATOM 1061 CA GLN A 69 -2.401 13.034 -5.001 1.00 0.00 C ATOM 1062 C GLN A 69 -3.748 12.519 -4.562 1.00 0.00 C ATOM 1063 O GLN A 69 -3.934 11.306 -4.414 1.00 0.00 O ATOM 1064 CB GLN A 69 -2.193 12.717 -6.471 1.00 0.00 C ATOM 1065 CG GLN A 69 -0.949 13.351 -7.075 1.00 0.00 C ATOM 1066 CD GLN A 69 -0.872 13.180 -8.579 1.00 0.00 C ATOM 1067 OE1 GLN A 69 -1.409 12.228 -9.141 1.00 0.00 O ATOM 1068 NE2 GLN A 69 -0.183 14.094 -9.241 1.00 0.00 N ATOM 0 H GLN A 69 -1.504 11.400 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.362 14.112 -4.848 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.132 11.636 -6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.066 13.052 -7.031 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.935 14.414 -6.834 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.064 12.909 -6.618 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.248 14.870 -8.739 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.083 14.023 -10.254 1.00 0.00 H new ATOM 1077 N ALA A 70 -4.706 13.428 -4.453 1.00 0.00 N ATOM 1078 CA ALA A 70 -5.961 13.119 -3.801 1.00 0.00 C ATOM 1079 C ALA A 70 -6.698 12.073 -4.597 1.00 0.00 C ATOM 1080 O ALA A 70 -7.028 12.297 -5.760 1.00 0.00 O ATOM 1081 CB ALA A 70 -6.824 14.358 -3.662 1.00 0.00 C ATOM 0 H ALA A 70 -4.635 14.382 -4.808 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.746 12.740 -2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.760 14.096 -3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.297 15.104 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.036 14.766 -4.650 1.00 0.00 H new ATOM 1087 N PRO A 71 -7.042 10.964 -3.920 1.00 0.00 N ATOM 1088 CA PRO A 71 -7.338 9.676 -4.495 1.00 0.00 C ATOM 1089 C PRO A 71 -7.279 9.614 -6.011 1.00 0.00 C ATOM 1090 O PRO A 71 -8.277 9.413 -6.700 1.00 0.00 O ATOM 1091 CB PRO A 71 -8.704 9.457 -3.895 1.00 0.00 C ATOM 1092 CG PRO A 71 -8.485 9.876 -2.470 1.00 0.00 C ATOM 1093 CD PRO A 71 -7.342 10.885 -2.492 1.00 0.00 C ATOM 0 HA PRO A 71 -6.609 8.897 -4.273 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.468 10.061 -4.386 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.022 8.417 -3.971 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.388 10.321 -2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -8.234 9.018 -1.846 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.640 11.850 -2.083 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.484 10.544 -1.912 1.00 0.00 H new ATOM 1101 N THR A 72 -6.069 9.833 -6.501 1.00 0.00 N ATOM 1102 CA THR A 72 -5.706 9.549 -7.865 1.00 0.00 C ATOM 1103 C THR A 72 -4.380 8.803 -7.876 1.00 0.00 C ATOM 1104 O THR A 72 -4.236 7.781 -8.547 1.00 0.00 O ATOM 1105 CB THR A 72 -5.591 10.835 -8.707 1.00 0.00 C ATOM 1106 OG1 THR A 72 -4.850 11.831 -7.988 1.00 0.00 O ATOM 1107 CG2 THR A 72 -6.964 11.377 -9.060 1.00 0.00 C ATOM 0 H THR A 72 -5.305 10.219 -5.947 1.00 0.00 H new ATOM 0 HA THR A 72 -6.491 8.937 -8.310 1.00 0.00 H new ATOM 0 HB THR A 72 -5.067 10.589 -9.630 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.385 12.155 -7.233 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.855 12.284 -9.654 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.513 10.631 -9.634 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.511 11.606 -8.145 1.00 0.00 H new ATOM 1115 N GLU A 73 -3.415 9.308 -7.106 1.00 0.00 N ATOM 1116 CA GLU A 73 -2.094 8.693 -7.051 1.00 0.00 C ATOM 1117 C GLU A 73 -1.483 8.840 -5.669 1.00 0.00 C ATOM 1118 O GLU A 73 -1.637 9.859 -5.008 1.00 0.00 O ATOM 1119 CB GLU A 73 -1.176 9.305 -8.099 1.00 0.00 C ATOM 1120 CG GLU A 73 0.082 8.495 -8.337 1.00 0.00 C ATOM 1121 CD GLU A 73 0.852 8.978 -9.541 1.00 0.00 C ATOM 1122 OE1 GLU A 73 0.444 8.656 -10.676 1.00 0.00 O ATOM 1123 OE2 GLU A 73 1.868 9.679 -9.363 1.00 0.00 O ATOM 0 H GLU A 73 -3.524 10.134 -6.518 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.209 7.630 -7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.721 9.402 -9.038 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.898 10.312 -7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.719 8.549 -7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.183 7.447 -8.474 1.00 0.00 H new ATOM 1130 N LEU A 74 -0.800 7.813 -5.241 1.00 0.00 N ATOM 1131 CA LEU A 74 -0.066 7.839 -4.005 1.00 0.00 C ATOM 1132 C LEU A 74 1.244 7.143 -4.247 1.00 0.00 C ATOM 1133 O LEU A 74 1.247 6.020 -4.683 1.00 0.00 O ATOM 1134 CB LEU A 74 -0.902 7.092 -2.964 1.00 0.00 C ATOM 1135 CG LEU A 74 -0.373 7.004 -1.551 1.00 0.00 C ATOM 1136 CD1 LEU A 74 -1.524 6.729 -0.621 1.00 0.00 C ATOM 1137 CD2 LEU A 74 0.652 5.910 -1.411 1.00 0.00 C ATOM 0 H LEU A 74 -0.737 6.928 -5.744 1.00 0.00 H new ATOM 0 HA LEU A 74 0.128 8.851 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.883 7.565 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.054 6.075 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 74 0.109 7.949 -1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.157 6.663 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.252 7.537 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.998 5.787 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.010 5.876 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.200 4.952 -1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.489 6.108 -2.080 1.00 0.00 H new ATOM 1149 N SER A 75 2.343 7.789 -3.969 1.00 0.00 N ATOM 1150 CA SER A 75 3.634 7.123 -4.111 1.00 0.00 C ATOM 1151 C SER A 75 4.526 7.452 -2.943 1.00 0.00 C ATOM 1152 O SER A 75 4.770 8.614 -2.661 1.00 0.00 O ATOM 1153 CB SER A 75 4.324 7.548 -5.402 1.00 0.00 C ATOM 1154 OG SER A 75 3.581 7.169 -6.545 1.00 0.00 O ATOM 0 H SER A 75 2.385 8.756 -3.648 1.00 0.00 H new ATOM 0 HA SER A 75 3.453 6.048 -4.140 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.463 8.629 -5.401 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.316 7.099 -5.448 1.00 0.00 H new ATOM 0 HG SER A 75 4.053 7.459 -7.353 1.00 0.00 H new ATOM 1160 N PHE A 76 5.023 6.437 -2.284 1.00 0.00 N ATOM 1161 CA PHE A 76 5.904 6.629 -1.160 1.00 0.00 C ATOM 1162 C PHE A 76 6.842 5.447 -1.026 1.00 0.00 C ATOM 1163 O PHE A 76 6.542 4.367 -1.524 1.00 0.00 O ATOM 1164 CB PHE A 76 5.088 6.978 0.088 1.00 0.00 C ATOM 1165 CG PHE A 76 4.434 5.848 0.839 1.00 0.00 C ATOM 1166 CD1 PHE A 76 3.273 5.244 0.370 1.00 0.00 C ATOM 1167 CD2 PHE A 76 4.965 5.418 2.044 1.00 0.00 C ATOM 1168 CE1 PHE A 76 2.669 4.229 1.090 1.00 0.00 C ATOM 1169 CE2 PHE A 76 4.362 4.406 2.766 1.00 0.00 C ATOM 1170 CZ PHE A 76 3.214 3.810 2.287 1.00 0.00 C ATOM 0 H PHE A 76 4.831 5.461 -2.509 1.00 0.00 H new ATOM 0 HA PHE A 76 6.560 7.486 -1.314 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.744 7.505 0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.308 7.679 -0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.839 5.570 -0.564 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.864 5.881 2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.769 3.764 0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.789 4.082 3.704 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.742 3.017 2.848 1.00 0.00 H new ATOM 1180 N GLU A 77 7.975 5.638 -0.381 1.00 0.00 N ATOM 1181 CA GLU A 77 8.953 4.567 -0.276 1.00 0.00 C ATOM 1182 C GLU A 77 9.112 4.190 1.176 1.00 0.00 C ATOM 1183 O GLU A 77 9.255 5.041 2.061 1.00 0.00 O ATOM 1184 CB GLU A 77 10.315 4.970 -0.855 1.00 0.00 C ATOM 1185 CG GLU A 77 10.411 4.883 -2.371 1.00 0.00 C ATOM 1186 CD GLU A 77 11.745 5.375 -2.904 1.00 0.00 C ATOM 1187 OE1 GLU A 77 11.886 6.593 -3.132 1.00 0.00 O ATOM 1188 OE2 GLU A 77 12.651 4.543 -3.120 1.00 0.00 O ATOM 0 H GLU A 77 8.242 6.511 0.074 1.00 0.00 H new ATOM 0 HA GLU A 77 8.590 3.719 -0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.537 5.992 -0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.084 4.332 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.260 3.849 -2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.608 5.470 -2.816 1.00 0.00 H new ATOM 1307 N VAL A 85 6.098 2.330 -3.410 1.00 0.00 N ATOM 1308 CA VAL A 85 4.748 1.814 -3.446 1.00 0.00 C ATOM 1309 C VAL A 85 3.779 2.905 -3.866 1.00 0.00 C ATOM 1310 O VAL A 85 3.808 4.021 -3.343 1.00 0.00 O ATOM 1311 CB VAL A 85 4.323 1.197 -2.091 1.00 0.00 C ATOM 1312 CG1 VAL A 85 5.150 -0.031 -1.778 1.00 0.00 C ATOM 1313 CG2 VAL A 85 4.459 2.193 -0.960 1.00 0.00 C ATOM 0 HA VAL A 85 4.723 1.012 -4.184 1.00 0.00 H new ATOM 0 HB VAL A 85 3.274 0.915 -2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.834 -0.448 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.009 -0.774 -2.562 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.203 0.244 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.152 1.725 -0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.498 2.515 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.826 3.058 -1.158 1.00 0.00 H new ATOM 1323 N THR A 86 2.942 2.585 -4.830 1.00 0.00 N ATOM 1324 CA THR A 86 2.042 3.555 -5.395 1.00 0.00 C ATOM 1325 C THR A 86 0.599 3.058 -5.348 1.00 0.00 C ATOM 1326 O THR A 86 0.307 1.925 -5.686 1.00 0.00 O ATOM 1327 CB THR A 86 2.451 3.901 -6.846 1.00 0.00 C ATOM 1328 OG1 THR A 86 3.810 4.366 -6.859 1.00 0.00 O ATOM 1329 CG2 THR A 86 1.544 4.977 -7.440 1.00 0.00 C ATOM 0 H THR A 86 2.870 1.653 -5.238 1.00 0.00 H new ATOM 0 HA THR A 86 2.106 4.462 -4.794 1.00 0.00 H new ATOM 0 HB THR A 86 2.353 3.000 -7.451 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.823 5.340 -6.756 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.859 5.196 -8.460 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.514 4.621 -7.447 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.611 5.883 -6.837 1.00 0.00 H new ATOM 1337 N PHE A 87 -0.299 3.900 -4.895 1.00 0.00 N ATOM 1338 CA PHE A 87 -1.708 3.569 -4.922 1.00 0.00 C ATOM 1339 C PHE A 87 -2.382 4.476 -5.924 1.00 0.00 C ATOM 1340 O PHE A 87 -2.166 5.679 -5.909 1.00 0.00 O ATOM 1341 CB PHE A 87 -2.348 3.738 -3.531 1.00 0.00 C ATOM 1342 CG PHE A 87 -1.705 2.898 -2.459 1.00 0.00 C ATOM 1343 CD1 PHE A 87 -1.166 1.660 -2.756 1.00 0.00 C ATOM 1344 CD2 PHE A 87 -1.633 3.354 -1.157 1.00 0.00 C ATOM 1345 CE1 PHE A 87 -0.558 0.895 -1.780 1.00 0.00 C ATOM 1346 CE2 PHE A 87 -1.030 2.594 -0.175 1.00 0.00 C ATOM 1347 CZ PHE A 87 -0.487 1.361 -0.493 1.00 0.00 C ATOM 0 H PHE A 87 -0.083 4.817 -4.504 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.832 2.525 -5.209 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.291 4.787 -3.240 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.406 3.482 -3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.221 1.285 -3.767 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.053 4.316 -0.904 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.139 -0.069 -2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.982 2.961 0.840 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.008 0.767 0.272 1.00 0.00 H new ATOM 1357 N GLN A 88 -3.177 3.920 -6.807 1.00 0.00 N ATOM 1358 CA GLN A 88 -3.861 4.739 -7.778 1.00 0.00 C ATOM 1359 C GLN A 88 -5.357 4.561 -7.673 1.00 0.00 C ATOM 1360 O GLN A 88 -5.887 3.451 -7.684 1.00 0.00 O ATOM 1361 CB GLN A 88 -3.345 4.455 -9.186 1.00 0.00 C ATOM 1362 CG GLN A 88 -2.103 5.256 -9.499 1.00 0.00 C ATOM 1363 CD GLN A 88 -1.718 5.207 -10.962 1.00 0.00 C ATOM 1364 OE1 GLN A 88 -2.006 4.233 -11.659 1.00 0.00 O ATOM 1365 NE2 GLN A 88 -1.051 6.247 -11.437 1.00 0.00 N ATOM 0 H GLN A 88 -3.364 2.920 -6.873 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.647 5.786 -7.562 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.127 3.392 -9.286 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.122 4.691 -9.913 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.264 6.294 -9.206 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.275 4.880 -8.899 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.832 7.034 -10.827 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.756 6.261 -12.413 1.00 0.00 H new ATOM 1374 N LEU A 89 -6.020 5.686 -7.561 1.00 0.00 N ATOM 1375 CA LEU A 89 -7.440 5.723 -7.274 1.00 0.00 C ATOM 1376 C LEU A 89 -8.196 6.421 -8.392 1.00 0.00 C ATOM 1377 O LEU A 89 -7.714 7.404 -8.956 1.00 0.00 O ATOM 1378 CB LEU A 89 -7.684 6.409 -5.929 1.00 0.00 C ATOM 1379 CG LEU A 89 -9.035 6.117 -5.267 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -10.118 7.020 -5.829 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -9.421 4.658 -5.459 1.00 0.00 C ATOM 0 H LEU A 89 -5.592 6.606 -7.666 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.814 4.701 -7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.892 6.111 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.595 7.486 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.937 6.317 -4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.068 6.794 -5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.855 8.062 -5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.210 6.853 -6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.383 4.470 -4.982 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.495 4.438 -6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.662 4.018 -5.009 1.00 0.00 H new ATOM 1393 N GLU A 90 -9.358 5.897 -8.731 1.00 0.00 N ATOM 1394 CA GLU A 90 -10.192 6.506 -9.735 1.00 0.00 C ATOM 1395 C GLU A 90 -11.537 6.910 -9.148 1.00 0.00 C ATOM 1396 O GLU A 90 -12.129 6.165 -8.365 1.00 0.00 O ATOM 1397 CB GLU A 90 -10.424 5.545 -10.889 1.00 0.00 C ATOM 1398 CG GLU A 90 -11.316 6.141 -11.948 1.00 0.00 C ATOM 1399 CD GLU A 90 -10.632 7.252 -12.718 1.00 0.00 C ATOM 1400 OE1 GLU A 90 -10.386 8.326 -12.136 1.00 0.00 O ATOM 1401 OE2 GLU A 90 -10.312 7.043 -13.904 1.00 0.00 O ATOM 0 H GLU A 90 -9.743 5.046 -8.320 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.677 7.395 -10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.466 5.273 -11.333 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -10.873 4.626 -10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.626 5.359 -12.641 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.221 6.530 -11.481 1.00 0.00 H new ATOM 1408 N ASP A 91 -12.019 8.074 -9.548 1.00 0.00 N ATOM 1409 CA ASP A 91 -13.326 8.544 -9.166 1.00 0.00 C ATOM 1410 C ASP A 91 -14.230 8.538 -10.393 1.00 0.00 C ATOM 1411 O ASP A 91 -14.038 9.322 -11.321 1.00 0.00 O ATOM 1412 CB ASP A 91 -13.249 9.950 -8.571 1.00 0.00 C ATOM 1413 CG ASP A 91 -12.432 10.941 -9.385 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -11.191 10.814 -9.425 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -13.027 11.886 -9.950 1.00 0.00 O ATOM 0 H ASP A 91 -11.506 8.718 -10.150 1.00 0.00 H new ATOM 0 HA ASP A 91 -13.735 7.883 -8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -14.261 10.339 -8.460 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.822 9.883 -7.570 1.00 0.00 H new ATOM 1461 N LYS A 95 -17.965 5.560 -7.781 1.00 0.00 N ATOM 1462 CA LYS A 95 -17.370 4.287 -7.512 1.00 0.00 C ATOM 1463 C LYS A 95 -15.912 4.621 -7.373 1.00 0.00 C ATOM 1464 O LYS A 95 -15.501 5.701 -7.812 1.00 0.00 O ATOM 1465 CB LYS A 95 -17.596 3.264 -8.618 1.00 0.00 C ATOM 1466 CG LYS A 95 -17.179 3.770 -9.969 1.00 0.00 C ATOM 1467 CD LYS A 95 -16.626 2.659 -10.843 1.00 0.00 C ATOM 1468 CE LYS A 95 -15.249 2.233 -10.370 1.00 0.00 C ATOM 1469 NZ LYS A 95 -14.633 1.240 -11.296 1.00 0.00 N ATOM 0 HA LYS A 95 -17.806 3.815 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -17.039 2.356 -8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -18.651 2.992 -8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -18.034 4.230 -10.464 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -16.424 4.547 -9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.302 1.804 -10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -16.571 2.998 -11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -14.604 3.108 -10.292 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.324 1.802 -9.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.700 0.959 -10.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.245 0.402 -11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.523 1.666 -12.239 1.00 0.00 H new ATOM 1483 N THR A 96 -15.122 3.773 -6.803 1.00 0.00 N ATOM 1484 CA THR A 96 -13.723 3.990 -6.877 1.00 0.00 C ATOM 1485 C THR A 96 -13.066 2.867 -7.646 1.00 0.00 C ATOM 1486 O THR A 96 -13.239 1.694 -7.331 1.00 0.00 O ATOM 1487 CB THR A 96 -13.158 4.099 -5.466 1.00 0.00 C ATOM 1488 OG1 THR A 96 -14.035 3.456 -4.539 1.00 0.00 O ATOM 1489 CG2 THR A 96 -12.981 5.554 -5.089 1.00 0.00 C ATOM 0 H THR A 96 -15.416 2.941 -6.292 1.00 0.00 H new ATOM 0 HA THR A 96 -13.518 4.920 -7.407 1.00 0.00 H new ATOM 0 HB THR A 96 -12.186 3.606 -5.434 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.437 2.668 -4.961 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.577 5.622 -4.079 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.293 6.030 -5.788 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.946 6.060 -5.128 1.00 0.00 H new ATOM 1497 N GLY A 97 -12.321 3.222 -8.669 1.00 0.00 N ATOM 1498 CA GLY A 97 -11.600 2.218 -9.402 1.00 0.00 C ATOM 1499 C GLY A 97 -10.197 2.144 -8.908 1.00 0.00 C ATOM 1500 O GLY A 97 -9.441 3.103 -9.023 1.00 0.00 O ATOM 0 H GLY A 97 -12.202 4.178 -9.003 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.088 1.250 -9.287 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.609 2.455 -10.466 1.00 0.00 H new ATOM 1504 N PHE A 98 -9.834 1.021 -8.341 1.00 0.00 N ATOM 1505 CA PHE A 98 -8.569 0.957 -7.667 1.00 0.00 C ATOM 1506 C PHE A 98 -7.536 0.248 -8.497 1.00 0.00 C ATOM 1507 O PHE A 98 -7.748 -0.864 -8.986 1.00 0.00 O ATOM 1508 CB PHE A 98 -8.644 0.268 -6.313 1.00 0.00 C ATOM 1509 CG PHE A 98 -7.483 0.682 -5.450 1.00 0.00 C ATOM 1510 CD1 PHE A 98 -7.443 1.955 -4.901 1.00 0.00 C ATOM 1511 CD2 PHE A 98 -6.418 -0.168 -5.223 1.00 0.00 C ATOM 1512 CE1 PHE A 98 -6.367 2.367 -4.141 1.00 0.00 C ATOM 1513 CE2 PHE A 98 -5.344 0.240 -4.457 1.00 0.00 C ATOM 1514 CZ PHE A 98 -5.315 1.506 -3.919 1.00 0.00 C ATOM 0 H PHE A 98 -10.382 0.161 -8.333 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.281 1.997 -7.511 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -9.582 0.523 -5.819 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -8.638 -0.814 -6.447 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.266 2.634 -5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.425 -1.161 -5.648 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -6.350 3.362 -3.721 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.522 -0.438 -4.279 1.00 0.00 H new ATOM 0 HZ PHE A 98 -4.471 1.823 -3.325 1.00 0.00 H new ATOM 1524 N THR A 99 -6.425 0.912 -8.658 1.00 0.00 N ATOM 1525 CA THR A 99 -5.266 0.314 -9.253 1.00 0.00 C ATOM 1526 C THR A 99 -4.135 0.445 -8.267 1.00 0.00 C ATOM 1527 O THR A 99 -3.717 1.549 -7.946 1.00 0.00 O ATOM 1528 CB THR A 99 -4.898 1.000 -10.580 1.00 0.00 C ATOM 1529 OG1 THR A 99 -6.054 1.066 -11.424 1.00 0.00 O ATOM 1530 CG2 THR A 99 -3.788 0.242 -11.290 1.00 0.00 C ATOM 0 H THR A 99 -6.299 1.885 -8.379 1.00 0.00 H new ATOM 0 HA THR A 99 -5.466 -0.733 -9.481 1.00 0.00 H new ATOM 0 HB THR A 99 -4.544 2.008 -10.363 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.818 1.505 -12.268 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.544 0.745 -12.226 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.904 0.211 -10.654 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.119 -0.775 -11.501 1.00 0.00 H new ATOM 1538 N LEU A 100 -3.643 -0.655 -7.759 1.00 0.00 N ATOM 1539 CA LEU A 100 -2.589 -0.560 -6.799 1.00 0.00 C ATOM 1540 C LEU A 100 -1.290 -0.986 -7.409 1.00 0.00 C ATOM 1541 O LEU A 100 -1.214 -1.977 -8.122 1.00 0.00 O ATOM 1542 CB LEU A 100 -2.875 -1.377 -5.546 1.00 0.00 C ATOM 1543 CG LEU A 100 -2.099 -0.909 -4.321 1.00 0.00 C ATOM 1544 CD1 LEU A 100 -2.761 -1.383 -3.060 1.00 0.00 C ATOM 1545 CD2 LEU A 100 -0.666 -1.381 -4.370 1.00 0.00 C ATOM 0 H LEU A 100 -3.949 -1.600 -7.989 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.521 0.485 -6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.942 -1.331 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.634 -2.422 -5.741 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.098 0.181 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.191 -1.038 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.774 -0.984 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.800 -2.472 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.137 -1.032 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.643 -2.470 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.182 -0.982 -5.261 1.00 0.00 H new ATOM 1557 N ILE A 101 -0.276 -0.220 -7.122 1.00 0.00 N ATOM 1558 CA ILE A 101 1.039 -0.495 -7.600 1.00 0.00 C ATOM 1559 C ILE A 101 1.967 -0.711 -6.407 1.00 0.00 C ATOM 1560 O ILE A 101 2.078 0.137 -5.532 1.00 0.00 O ATOM 1561 CB ILE A 101 1.582 0.701 -8.424 1.00 0.00 C ATOM 1562 CG1 ILE A 101 0.488 1.333 -9.326 1.00 0.00 C ATOM 1563 CG2 ILE A 101 2.781 0.267 -9.263 1.00 0.00 C ATOM 1564 CD1 ILE A 101 -0.401 2.338 -8.628 1.00 0.00 C ATOM 0 H ILE A 101 -0.345 0.618 -6.545 1.00 0.00 H new ATOM 0 HA ILE A 101 1.000 -1.383 -8.231 1.00 0.00 H new ATOM 0 HB ILE A 101 1.900 1.467 -7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.971 1.821 -10.172 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.135 0.536 -9.731 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.151 1.117 -9.836 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.570 -0.100 -8.607 1.00 0.00 H new ATOM 0 HG23 ILE A 101 2.479 -0.527 -9.946 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.135 2.727 -9.334 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -0.917 1.854 -7.799 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.207 3.159 -8.247 1.00 0.00 H new ATOM 1576 N HIS A 102 2.630 -1.828 -6.347 1.00 0.00 N ATOM 1577 CA HIS A 102 3.734 -1.950 -5.433 1.00 0.00 C ATOM 1578 C HIS A 102 4.943 -2.165 -6.286 1.00 0.00 C ATOM 1579 O HIS A 102 5.154 -3.231 -6.855 1.00 0.00 O ATOM 1580 CB HIS A 102 3.527 -3.099 -4.434 1.00 0.00 C ATOM 1581 CG HIS A 102 2.946 -2.663 -3.115 1.00 0.00 C ATOM 1582 ND1 HIS A 102 3.201 -3.335 -1.933 1.00 0.00 N ATOM 1583 CD2 HIS A 102 2.152 -1.602 -2.776 1.00 0.00 C ATOM 1584 CE1 HIS A 102 2.609 -2.709 -0.933 1.00 0.00 C ATOM 1585 NE2 HIS A 102 1.968 -1.658 -1.415 1.00 0.00 N ATOM 0 H HIS A 102 2.433 -2.657 -6.908 1.00 0.00 H new ATOM 0 HA HIS A 102 3.838 -1.056 -4.817 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.868 -3.843 -4.882 1.00 0.00 H new ATOM 0 HB3 HIS A 102 4.484 -3.588 -4.254 1.00 0.00 H new ATOM 0 HD1 HIS A 102 3.760 -4.184 -1.847 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.747 -0.861 -3.449 1.00 0.00 H new ATOM 0 HE1 HIS A 102 2.643 -3.006 0.105 1.00 0.00 H new ATOM 1881 N VAL A 122 8.385 -11.170 -2.642 1.00 0.00 N ATOM 1882 CA VAL A 122 7.587 -10.059 -2.175 1.00 0.00 C ATOM 1883 C VAL A 122 6.551 -9.701 -3.248 1.00 0.00 C ATOM 1884 O VAL A 122 5.415 -9.316 -2.951 1.00 0.00 O ATOM 1885 CB VAL A 122 8.483 -8.872 -1.808 1.00 0.00 C ATOM 1886 CG1 VAL A 122 9.111 -8.285 -3.038 1.00 0.00 C ATOM 1887 CG2 VAL A 122 7.735 -7.823 -1.017 1.00 0.00 C ATOM 0 HA VAL A 122 7.052 -10.337 -1.267 1.00 0.00 H new ATOM 0 HB VAL A 122 9.279 -9.245 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 122 9.744 -7.443 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 122 9.716 -9.043 -3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.330 -7.941 -3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 122 8.408 -6.999 -0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 122 6.899 -7.449 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.358 -8.263 -0.094 1.00 0.00 H new ATOM 1897 N ARG A 123 6.958 -9.876 -4.501 1.00 0.00 N ATOM 1898 CA ARG A 123 6.066 -9.744 -5.643 1.00 0.00 C ATOM 1899 C ARG A 123 4.975 -10.808 -5.531 1.00 0.00 C ATOM 1900 O ARG A 123 3.814 -10.576 -5.868 1.00 0.00 O ATOM 1901 CB ARG A 123 6.898 -9.909 -6.932 1.00 0.00 C ATOM 1902 CG ARG A 123 6.177 -9.593 -8.236 1.00 0.00 C ATOM 1903 CD ARG A 123 5.401 -10.785 -8.775 1.00 0.00 C ATOM 1904 NE ARG A 123 4.711 -10.456 -10.019 1.00 0.00 N ATOM 1905 CZ ARG A 123 3.561 -11.001 -10.400 1.00 0.00 C ATOM 1906 NH1 ARG A 123 3.023 -11.979 -9.687 1.00 0.00 N ATOM 1907 NH2 ARG A 123 2.967 -10.578 -11.509 1.00 0.00 N ATOM 0 H ARG A 123 7.918 -10.114 -4.752 1.00 0.00 H new ATOM 0 HA ARG A 123 5.586 -8.766 -5.668 1.00 0.00 H new ATOM 0 HB2 ARG A 123 7.775 -9.266 -6.860 1.00 0.00 H new ATOM 0 HB3 ARG A 123 7.259 -10.936 -6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 123 5.493 -8.760 -8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 123 6.904 -9.270 -8.981 1.00 0.00 H new ATOM 0 HD2 ARG A 123 6.083 -11.618 -8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 123 4.675 -11.115 -8.031 1.00 0.00 H new ATOM 0 HE ARG A 123 5.139 -9.764 -10.634 1.00 0.00 H new ATOM 0 HH11 ARG A 123 3.492 -12.314 -8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 123 2.140 -12.397 -9.980 1.00 0.00 H new ATOM 0 HH21 ARG A 123 3.394 -9.837 -12.065 1.00 0.00 H new ATOM 0 HH22 ARG A 123 2.084 -10.994 -11.805 1.00 0.00 H new ATOM 1921 N GLY A 124 5.357 -11.956 -4.987 1.00 0.00 N ATOM 1922 CA GLY A 124 4.414 -13.040 -4.759 1.00 0.00 C ATOM 1923 C GLY A 124 3.462 -12.742 -3.609 1.00 0.00 C ATOM 1924 O GLY A 124 2.302 -13.180 -3.611 1.00 0.00 O ATOM 0 H GLY A 124 6.313 -12.159 -4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 124 3.839 -13.216 -5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.962 -13.958 -4.546 1.00 0.00 H new ATOM 1928 N LYS A 125 3.938 -11.961 -2.641 1.00 0.00 N ATOM 1929 CA LYS A 125 3.126 -11.555 -1.505 1.00 0.00 C ATOM 1930 C LYS A 125 1.945 -10.778 -2.000 1.00 0.00 C ATOM 1931 O LYS A 125 0.809 -10.967 -1.572 1.00 0.00 O ATOM 1932 CB LYS A 125 3.934 -10.643 -0.595 1.00 0.00 C ATOM 1933 CG LYS A 125 5.187 -11.301 -0.065 1.00 0.00 C ATOM 1934 CD LYS A 125 5.966 -10.353 0.834 1.00 0.00 C ATOM 1935 CE LYS A 125 7.044 -11.074 1.624 1.00 0.00 C ATOM 1936 NZ LYS A 125 6.471 -12.027 2.615 1.00 0.00 N ATOM 0 H LYS A 125 4.890 -11.596 -2.625 1.00 0.00 H new ATOM 0 HA LYS A 125 2.807 -12.444 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 125 4.207 -9.741 -1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.311 -10.330 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 125 4.922 -12.199 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.816 -11.616 -0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 125 6.423 -9.571 0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 125 5.280 -9.861 1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 125 7.696 -11.614 0.937 1.00 0.00 H new ATOM 0 HE3 LYS A 125 7.664 -10.342 2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 7.192 -12.264 3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 5.653 -11.589 3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 6.167 -12.894 2.127 1.00 0.00 H new ATOM 1950 N MET A 126 2.243 -9.919 -2.940 1.00 0.00 N ATOM 1951 CA MET A 126 1.246 -9.084 -3.545 1.00 0.00 C ATOM 1952 C MET A 126 0.476 -9.898 -4.571 1.00 0.00 C ATOM 1953 O MET A 126 -0.681 -9.618 -4.877 1.00 0.00 O ATOM 1954 CB MET A 126 1.927 -7.883 -4.194 1.00 0.00 C ATOM 1955 CG MET A 126 2.985 -7.226 -3.310 1.00 0.00 C ATOM 1956 SD MET A 126 2.303 -6.183 -1.999 1.00 0.00 S ATOM 1957 CE MET A 126 1.789 -7.395 -0.781 1.00 0.00 C ATOM 0 H MET A 126 3.185 -9.781 -3.306 1.00 0.00 H new ATOM 0 HA MET A 126 0.545 -8.719 -2.795 1.00 0.00 H new ATOM 0 HB2 MET A 126 2.392 -8.201 -5.127 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.170 -7.142 -4.451 1.00 0.00 H new ATOM 0 HG2 MET A 126 3.600 -8.004 -2.858 1.00 0.00 H new ATOM 0 HG3 MET A 126 3.643 -6.622 -3.935 1.00 0.00 H new ATOM 0 HE1 MET A 126 1.877 -6.967 0.218 1.00 0.00 H new ATOM 0 HE2 MET A 126 0.753 -7.679 -0.965 1.00 0.00 H new ATOM 0 HE3 MET A 126 2.425 -8.277 -0.855 1.00 0.00 H new ATOM 1967 N ASP A 127 1.088 -10.980 -5.020 1.00 0.00 N ATOM 1968 CA ASP A 127 0.524 -11.757 -6.118 1.00 0.00 C ATOM 1969 C ASP A 127 -0.649 -12.615 -5.646 1.00 0.00 C ATOM 1970 O ASP A 127 -1.464 -13.066 -6.447 1.00 0.00 O ATOM 1971 CB ASP A 127 1.620 -12.633 -6.727 1.00 0.00 C ATOM 1972 CG ASP A 127 1.103 -13.634 -7.740 1.00 0.00 C ATOM 1973 OD1 ASP A 127 0.777 -13.225 -8.874 1.00 0.00 O ATOM 1974 OD2 ASP A 127 1.049 -14.840 -7.416 1.00 0.00 O ATOM 0 H ASP A 127 1.967 -11.341 -4.648 1.00 0.00 H new ATOM 0 HA ASP A 127 0.142 -11.071 -6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 127 2.361 -11.993 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 127 2.132 -13.169 -5.927 1.00 0.00 H new ATOM 1979 N GLY A 128 -0.774 -12.781 -4.341 1.00 0.00 N ATOM 1980 CA GLY A 128 -1.974 -13.409 -3.802 1.00 0.00 C ATOM 1981 C GLY A 128 -2.623 -12.581 -2.707 1.00 0.00 C ATOM 1982 O GLY A 128 -3.825 -12.245 -2.754 1.00 0.00 O ATOM 0 H GLY A 128 -0.081 -12.499 -3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.691 -13.566 -4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -1.719 -14.392 -3.407 1.00 0.00 H new ATOM 1986 N GLY A 129 -1.816 -12.216 -1.728 1.00 0.00 N ATOM 1987 CA GLY A 129 -2.329 -11.533 -0.572 1.00 0.00 C ATOM 1988 C GLY A 129 -2.832 -10.146 -0.888 1.00 0.00 C ATOM 1989 O GLY A 129 -3.662 -9.612 -0.159 1.00 0.00 O ATOM 0 H GLY A 129 -0.810 -12.383 -1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -3.140 -12.119 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.546 -11.467 0.183 1.00 0.00 H new ATOM 1993 N TRP A 130 -2.369 -9.562 -1.990 1.00 0.00 N ATOM 1994 CA TRP A 130 -2.674 -8.174 -2.257 1.00 0.00 C ATOM 1995 C TRP A 130 -4.125 -7.986 -2.689 1.00 0.00 C ATOM 1996 O TRP A 130 -4.709 -6.945 -2.426 1.00 0.00 O ATOM 1997 CB TRP A 130 -1.721 -7.630 -3.297 1.00 0.00 C ATOM 1998 CG TRP A 130 -1.329 -6.209 -3.093 1.00 0.00 C ATOM 1999 CD1 TRP A 130 -0.982 -5.337 -4.069 1.00 0.00 C ATOM 2000 CD2 TRP A 130 -1.228 -5.493 -1.851 1.00 0.00 C ATOM 2001 NE1 TRP A 130 -0.678 -4.126 -3.528 1.00 0.00 N ATOM 2002 CE2 TRP A 130 -0.827 -4.187 -2.168 1.00 0.00 C ATOM 2003 CE3 TRP A 130 -1.444 -5.820 -0.509 1.00 0.00 C ATOM 2004 CZ2 TRP A 130 -0.636 -3.203 -1.200 1.00 0.00 C ATOM 2005 CZ3 TRP A 130 -1.253 -4.845 0.455 1.00 0.00 C ATOM 2006 CH2 TRP A 130 -0.856 -3.549 0.104 1.00 0.00 C ATOM 0 H TRP A 130 -1.794 -10.023 -2.695 1.00 0.00 H new ATOM 0 HA TRP A 130 -2.545 -7.613 -1.332 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -0.821 -8.245 -3.303 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -2.181 -7.729 -4.280 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -0.951 -5.569 -5.123 1.00 0.00 H new ATOM 0 HE1 TRP A 130 -0.385 -3.302 -4.053 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -1.754 -6.816 -0.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 -0.326 -2.204 -1.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 -1.413 -5.088 1.495 1.00 0.00 H new ATOM 0 HH2 TRP A 130 -0.721 -2.808 0.878 1.00 0.00 H new ATOM 2017 N THR A 131 -4.724 -8.970 -3.353 1.00 0.00 N ATOM 2018 CA THR A 131 -6.149 -8.892 -3.601 1.00 0.00 C ATOM 2019 C THR A 131 -6.915 -9.172 -2.329 1.00 0.00 C ATOM 2020 O THR A 131 -7.917 -8.540 -2.059 1.00 0.00 O ATOM 2021 CB THR A 131 -6.648 -9.841 -4.692 1.00 0.00 C ATOM 2022 OG1 THR A 131 -5.909 -11.071 -4.652 1.00 0.00 O ATOM 2023 CG2 THR A 131 -6.541 -9.198 -6.068 1.00 0.00 C ATOM 0 H THR A 131 -4.259 -9.802 -3.716 1.00 0.00 H new ATOM 0 HA THR A 131 -6.327 -7.877 -3.955 1.00 0.00 H new ATOM 0 HB THR A 131 -7.700 -10.056 -4.504 1.00 0.00 H new ATOM 0 HG1 THR A 131 -6.237 -11.672 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 131 -6.902 -9.895 -6.824 1.00 0.00 H new ATOM 0 HG22 THR A 131 -7.144 -8.290 -6.093 1.00 0.00 H new ATOM 0 HG23 THR A 131 -5.500 -8.948 -6.273 1.00 0.00 H new ATOM 2031 N GLY A 132 -6.457 -10.115 -1.536 1.00 0.00 N ATOM 2032 CA GLY A 132 -7.096 -10.300 -0.257 1.00 0.00 C ATOM 2033 C GLY A 132 -7.164 -8.987 0.497 1.00 0.00 C ATOM 2034 O GLY A 132 -8.241 -8.510 0.862 1.00 0.00 O ATOM 0 H GLY A 132 -5.678 -10.740 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -8.101 -10.697 -0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.544 -11.035 0.329 1.00 0.00 H new ATOM 2038 N ILE A 133 -6.019 -8.351 0.630 1.00 0.00 N ATOM 2039 CA ILE A 133 -5.917 -7.125 1.391 1.00 0.00 C ATOM 2040 C ILE A 133 -6.544 -5.931 0.665 1.00 0.00 C ATOM 2041 O ILE A 133 -7.426 -5.273 1.193 1.00 0.00 O ATOM 2042 CB ILE A 133 -4.435 -6.817 1.631 1.00 0.00 C ATOM 2043 CG1 ILE A 133 -3.767 -7.962 2.397 1.00 0.00 C ATOM 2044 CG2 ILE A 133 -4.273 -5.503 2.369 1.00 0.00 C ATOM 2045 CD1 ILE A 133 -2.258 -7.856 2.466 1.00 0.00 C ATOM 0 H ILE A 133 -5.141 -8.666 0.218 1.00 0.00 H new ATOM 0 HA ILE A 133 -6.457 -7.272 2.326 1.00 0.00 H new ATOM 0 HB ILE A 133 -3.942 -6.722 0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -4.166 -7.989 3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -4.034 -8.907 1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -3.213 -5.304 2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -4.708 -4.698 1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -4.781 -5.561 3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.859 -8.703 3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -1.846 -7.860 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -1.981 -6.928 2.967 1.00 0.00 H new ATOM 2057 N VAL A 134 -6.115 -5.662 -0.553 1.00 0.00 N ATOM 2058 CA VAL A 134 -6.617 -4.509 -1.280 1.00 0.00 C ATOM 2059 C VAL A 134 -7.921 -4.807 -1.994 1.00 0.00 C ATOM 2060 O VAL A 134 -8.867 -4.038 -1.914 1.00 0.00 O ATOM 2061 CB VAL A 134 -5.581 -4.006 -2.294 1.00 0.00 C ATOM 2062 CG1 VAL A 134 -6.008 -2.683 -2.874 1.00 0.00 C ATOM 2063 CG2 VAL A 134 -4.230 -3.862 -1.642 1.00 0.00 C ATOM 0 H VAL A 134 -5.426 -6.220 -1.058 1.00 0.00 H new ATOM 0 HA VAL A 134 -6.806 -3.732 -0.539 1.00 0.00 H new ATOM 0 HB VAL A 134 -5.510 -4.739 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 134 -5.261 -2.342 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 134 -6.968 -2.799 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 134 -6.105 -1.949 -2.074 1.00 0.00 H new ATOM 0 HG21 VAL A 134 -3.508 -3.504 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 134 -4.297 -3.148 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 134 -3.907 -4.829 -1.257 1.00 0.00 H new ATOM 2073 N ASN A 135 -8.011 -5.948 -2.644 1.00 0.00 N ATOM 2074 CA ASN A 135 -9.197 -6.225 -3.432 1.00 0.00 C ATOM 2075 C ASN A 135 -10.352 -6.456 -2.495 1.00 0.00 C ATOM 2076 O ASN A 135 -11.454 -5.952 -2.708 1.00 0.00 O ATOM 2077 CB ASN A 135 -8.991 -7.442 -4.347 1.00 0.00 C ATOM 2078 CG ASN A 135 -10.253 -7.889 -5.069 1.00 0.00 C ATOM 2079 OD1 ASN A 135 -10.563 -7.417 -6.159 1.00 0.00 O ATOM 2080 ND2 ASN A 135 -10.964 -8.841 -4.483 1.00 0.00 N ATOM 0 H ASN A 135 -7.301 -6.680 -2.646 1.00 0.00 H new ATOM 0 HA ASN A 135 -9.405 -5.371 -4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 135 -8.226 -7.204 -5.086 1.00 0.00 H new ATOM 0 HB3 ASN A 135 -8.611 -8.272 -3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 135 -11.800 -9.206 -4.938 1.00 0.00 H new ATOM 0 HD22 ASN A 135 -10.675 -9.209 -3.577 1.00 0.00 H new ATOM 2087 N GLU A 136 -10.100 -7.153 -1.401 1.00 0.00 N ATOM 2088 CA GLU A 136 -11.182 -7.464 -0.539 1.00 0.00 C ATOM 2089 C GLU A 136 -11.298 -6.468 0.612 1.00 0.00 C ATOM 2090 O GLU A 136 -12.376 -5.941 0.842 1.00 0.00 O ATOM 2091 CB GLU A 136 -11.033 -8.911 -0.080 1.00 0.00 C ATOM 2092 CG GLU A 136 -11.655 -9.194 1.272 1.00 0.00 C ATOM 2093 CD GLU A 136 -11.792 -10.672 1.548 1.00 0.00 C ATOM 2094 OE1 GLU A 136 -12.621 -11.324 0.879 1.00 0.00 O ATOM 2095 OE2 GLU A 136 -11.069 -11.191 2.423 1.00 0.00 O ATOM 0 H GLU A 136 -9.184 -7.496 -1.111 1.00 0.00 H new ATOM 0 HA GLU A 136 -12.126 -7.372 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 136 -11.489 -9.566 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 136 -9.973 -9.162 -0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 136 -11.045 -8.737 2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 136 -12.638 -8.726 1.321 1.00 0.00 H new ATOM 2102 N ARG A 137 -10.192 -6.120 1.264 1.00 0.00 N ATOM 2103 CA ARG A 137 -10.252 -5.210 2.411 1.00 0.00 C ATOM 2104 C ARG A 137 -10.308 -3.759 1.999 1.00 0.00 C ATOM 2105 O ARG A 137 -10.930 -2.974 2.677 1.00 0.00 O ATOM 2106 CB ARG A 137 -9.124 -5.448 3.413 1.00 0.00 C ATOM 2107 CG ARG A 137 -8.814 -4.261 4.345 1.00 0.00 C ATOM 2108 CD ARG A 137 -10.015 -3.804 5.183 1.00 0.00 C ATOM 2109 NE ARG A 137 -10.417 -4.763 6.209 1.00 0.00 N ATOM 2110 CZ ARG A 137 -11.440 -4.561 7.043 1.00 0.00 C ATOM 2111 NH1 ARG A 137 -12.187 -3.466 6.934 1.00 0.00 N ATOM 2112 NH2 ARG A 137 -11.723 -5.451 7.979 1.00 0.00 N ATOM 0 H ARG A 137 -9.256 -6.447 1.025 1.00 0.00 H new ATOM 0 HA ARG A 137 -11.190 -5.443 2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -9.380 -6.313 4.025 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -8.218 -5.703 2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -8.000 -4.539 5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -8.461 -3.422 3.745 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -9.773 -2.855 5.661 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -10.860 -3.620 4.520 1.00 0.00 H new ATOM 0 HE ARG A 137 -9.889 -5.632 6.293 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -11.979 -2.777 6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -12.968 -3.315 7.573 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -11.159 -6.296 8.066 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -12.505 -5.292 8.614 1.00 0.00 H new ATOM 2126 N LEU A 138 -9.678 -3.367 0.919 1.00 0.00 N ATOM 2127 CA LEU A 138 -9.751 -1.973 0.547 1.00 0.00 C ATOM 2128 C LEU A 138 -11.184 -1.656 0.216 1.00 0.00 C ATOM 2129 O LEU A 138 -11.695 -0.629 0.633 1.00 0.00 O ATOM 2130 CB LEU A 138 -8.804 -1.651 -0.593 1.00 0.00 C ATOM 2131 CG LEU A 138 -8.668 -0.182 -0.949 1.00 0.00 C ATOM 2132 CD1 LEU A 138 -8.400 0.671 0.274 1.00 0.00 C ATOM 2133 CD2 LEU A 138 -7.553 -0.016 -1.937 1.00 0.00 C ATOM 0 H LEU A 138 -9.129 -3.965 0.302 1.00 0.00 H new ATOM 0 HA LEU A 138 -9.429 -1.344 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -7.816 -2.036 -0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -9.138 -2.190 -1.480 1.00 0.00 H new ATOM 0 HG LEU A 138 -9.611 0.152 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -8.309 1.716 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.224 0.565 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.473 0.347 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -7.451 1.038 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -6.622 -0.374 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -7.775 -0.591 -2.836 1.00 0.00 H new ATOM 2145 N ARG A 139 -11.855 -2.582 -0.467 1.00 0.00 N ATOM 2146 CA ARG A 139 -13.294 -2.463 -0.655 1.00 0.00 C ATOM 2147 C ARG A 139 -13.993 -2.579 0.696 1.00 0.00 C ATOM 2148 O ARG A 139 -15.057 -2.008 0.898 1.00 0.00 O ATOM 2149 CB ARG A 139 -13.824 -3.516 -1.648 1.00 0.00 C ATOM 2150 CG ARG A 139 -15.162 -3.153 -2.317 1.00 0.00 C ATOM 2151 CD ARG A 139 -16.367 -3.331 -1.390 1.00 0.00 C ATOM 2152 NE ARG A 139 -16.479 -4.696 -0.869 1.00 0.00 N ATOM 2153 CZ ARG A 139 -17.636 -5.332 -0.659 1.00 0.00 C ATOM 2154 NH1 ARG A 139 -18.789 -4.785 -1.032 1.00 0.00 N ATOM 2155 NH2 ARG A 139 -17.630 -6.535 -0.102 1.00 0.00 N ATOM 0 H ARG A 139 -11.432 -3.408 -0.891 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.510 -1.485 -1.086 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -13.076 -3.672 -2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -13.941 -4.464 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -15.122 -2.118 -2.656 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -15.298 -3.774 -3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -16.286 -2.633 -0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -17.278 -3.077 -1.931 1.00 0.00 H new ATOM 0 HE ARG A 139 -15.616 -5.195 -0.652 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -18.797 -3.871 -1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -19.665 -5.280 -0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -16.746 -6.970 0.163 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -18.509 -7.026 0.061 1.00 0.00 H new ATOM 2169 N LYS A 140 -13.407 -3.321 1.631 1.00 0.00 N ATOM 2170 CA LYS A 140 -14.006 -3.445 2.943 1.00 0.00 C ATOM 2171 C LYS A 140 -13.882 -2.173 3.793 1.00 0.00 C ATOM 2172 O LYS A 140 -14.839 -1.734 4.398 1.00 0.00 O ATOM 2173 CB LYS A 140 -13.427 -4.629 3.709 1.00 0.00 C ATOM 2174 CG LYS A 140 -13.851 -5.972 3.157 1.00 0.00 C ATOM 2175 CD LYS A 140 -13.580 -7.090 4.131 1.00 0.00 C ATOM 2176 CE LYS A 140 -12.098 -7.424 4.211 1.00 0.00 C ATOM 2177 NZ LYS A 140 -11.843 -8.596 5.091 1.00 0.00 N ATOM 0 H LYS A 140 -12.535 -3.834 1.503 1.00 0.00 H new ATOM 0 HA LYS A 140 -15.068 -3.612 2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -12.339 -4.565 3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -13.734 -4.561 4.753 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -14.914 -5.947 2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -13.320 -6.166 2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -13.942 -6.807 5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -14.137 -7.977 3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -11.717 -7.631 3.211 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -11.550 -6.560 4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -10.822 -8.793 5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -12.183 -8.389 6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -12.345 -9.427 4.717 1.00 0.00 H new ATOM 2191 N ALA A 141 -12.726 -1.570 3.822 1.00 0.00 N ATOM 2192 CA ALA A 141 -12.520 -0.392 4.637 1.00 0.00 C ATOM 2193 C ALA A 141 -13.303 0.771 4.064 1.00 0.00 C ATOM 2194 O ALA A 141 -13.768 1.650 4.793 1.00 0.00 O ATOM 2195 CB ALA A 141 -11.044 -0.068 4.738 1.00 0.00 C ATOM 0 H ALA A 141 -11.908 -1.871 3.292 1.00 0.00 H new ATOM 0 HA ALA A 141 -12.884 -0.586 5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -10.908 0.821 5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -10.517 -0.908 5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -10.643 0.117 3.741 1.00 0.00 H new ATOM 2201 N VAL A 142 -13.479 0.748 2.749 1.00 0.00 N ATOM 2202 CA VAL A 142 -14.234 1.768 2.081 1.00 0.00 C ATOM 2203 C VAL A 142 -15.711 1.403 2.088 1.00 0.00 C ATOM 2204 O VAL A 142 -16.561 2.264 1.888 1.00 0.00 O ATOM 2205 CB VAL A 142 -13.740 2.008 0.639 1.00 0.00 C ATOM 2206 CG1 VAL A 142 -12.266 2.383 0.643 1.00 0.00 C ATOM 2207 CG2 VAL A 142 -13.991 0.811 -0.266 1.00 0.00 C ATOM 0 H VAL A 142 -13.103 0.027 2.134 1.00 0.00 H new ATOM 0 HA VAL A 142 -14.088 2.701 2.625 1.00 0.00 H new ATOM 0 HB VAL A 142 -14.317 2.838 0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.930 2.550 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -12.124 3.294 1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -11.686 1.574 1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -13.626 1.030 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -13.467 -0.060 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -15.060 0.604 -0.307 1.00 0.00 H new ATOM 2217 N GLU A 143 -16.012 0.120 2.327 1.00 0.00 N ATOM 2218 CA GLU A 143 -17.407 -0.336 2.384 1.00 0.00 C ATOM 2219 C GLU A 143 -17.635 -1.563 3.277 1.00 0.00 C ATOM 2220 O GLU A 143 -18.515 -1.536 4.140 1.00 0.00 O ATOM 2221 CB GLU A 143 -17.912 -0.653 0.983 1.00 0.00 C ATOM 2222 CG GLU A 143 -18.269 0.580 0.183 1.00 0.00 C ATOM 2223 CD GLU A 143 -19.491 1.300 0.720 1.00 0.00 C ATOM 2224 OE1 GLU A 143 -19.354 2.132 1.641 1.00 0.00 O ATOM 2225 OE2 GLU A 143 -20.604 1.047 0.209 1.00 0.00 O ATOM 0 H GLU A 143 -15.319 -0.612 2.482 1.00 0.00 H new ATOM 0 HA GLU A 143 -17.963 0.489 2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -17.148 -1.216 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -18.789 -1.296 1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -17.421 1.265 0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -18.448 0.295 -0.854 1.00 0.00 H new ATOM 2232 N GLU A 144 -16.848 -2.624 3.061 1.00 0.00 N ATOM 2233 CA GLU A 144 -17.078 -3.953 3.672 1.00 0.00 C ATOM 2234 C GLU A 144 -18.565 -4.303 3.670 1.00 0.00 C ATOM 2235 O GLU A 144 -19.131 -4.753 4.671 1.00 0.00 O ATOM 2236 CB GLU A 144 -16.458 -4.075 5.082 1.00 0.00 C ATOM 2237 CG GLU A 144 -16.981 -3.106 6.129 1.00 0.00 C ATOM 2238 CD GLU A 144 -16.337 -3.328 7.480 1.00 0.00 C ATOM 2239 OE1 GLU A 144 -15.171 -2.919 7.667 1.00 0.00 O ATOM 2240 OE2 GLU A 144 -16.998 -3.919 8.364 1.00 0.00 O ATOM 0 H GLU A 144 -16.028 -2.592 2.456 1.00 0.00 H new ATOM 0 HA GLU A 144 -16.560 -4.685 3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -16.622 -5.091 5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -15.380 -3.938 4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -16.794 -2.083 5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -18.061 -3.219 6.220 1.00 0.00 H new