USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 667 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 46 MET CE :methyl 164:sc= -8.3! (180deg=-8.43!) USER MOD Set 1.2: A 51 MET CE :methyl -178:sc= -6.55! (180deg=-6.64!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -150:sc= 0.213 (180deg=0.0215) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.17) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -1.66 K(o=-1.7,f=0.078) USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= -0.141 (180deg=-0.657) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-2.5!) USER MOD Single : A 82 ASN : amide:sc= -4.41! C(o=-4.4!,f=-2.2!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -120:sc= 0.593 (180deg=-1.14!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -4.77! C(o=-4.8!,f=-8!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 142 N GLU A 10 -9.262 -1.012 -12.289 1.00 0.00 N ATOM 143 CA GLU A 10 -8.557 -2.283 -12.304 1.00 0.00 C ATOM 144 C GLU A 10 -9.512 -3.469 -12.217 1.00 0.00 C ATOM 145 O GLU A 10 -10.490 -3.442 -11.472 1.00 0.00 O ATOM 146 CB GLU A 10 -7.543 -2.329 -11.163 1.00 0.00 C ATOM 147 CG GLU A 10 -8.161 -2.128 -9.787 1.00 0.00 C ATOM 148 CD GLU A 10 -7.212 -1.451 -8.817 1.00 0.00 C ATOM 149 OE1 GLU A 10 -5.984 -1.579 -9.000 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.698 -0.792 -7.873 1.00 0.00 O ATOM 0 HA GLU A 10 -8.034 -2.361 -13.257 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.029 -3.290 -11.184 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.788 -1.560 -11.328 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.066 -1.528 -9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.461 -3.095 -9.382 1.00 0.00 H new ATOM 157 N LYS A 11 -9.212 -4.509 -12.993 1.00 0.00 N ATOM 158 CA LYS A 11 -10.029 -5.718 -13.023 1.00 0.00 C ATOM 159 C LYS A 11 -9.931 -6.471 -11.695 1.00 0.00 C ATOM 160 O LYS A 11 -9.666 -5.870 -10.653 1.00 0.00 O ATOM 161 CB LYS A 11 -9.584 -6.618 -14.182 1.00 0.00 C ATOM 162 CG LYS A 11 -9.400 -5.877 -15.498 1.00 0.00 C ATOM 163 CD LYS A 11 -8.195 -6.398 -16.266 1.00 0.00 C ATOM 164 CE LYS A 11 -8.594 -7.459 -17.278 1.00 0.00 C ATOM 165 NZ LYS A 11 -7.646 -8.607 -17.283 1.00 0.00 N ATOM 0 H LYS A 11 -8.403 -4.537 -13.613 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.070 -5.432 -13.174 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.645 -7.102 -13.914 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.322 -7.408 -14.321 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.297 -5.987 -16.108 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.276 -4.812 -15.303 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.704 -5.571 -16.779 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.470 -6.815 -15.567 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.598 -7.818 -17.051 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.632 -7.015 -18.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.954 -9.308 -17.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.693 -8.269 -17.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.628 -9.047 -16.341 1.00 0.00 H new ATOM 179 N ASP A 12 -10.149 -7.785 -11.729 1.00 0.00 N ATOM 180 CA ASP A 12 -10.082 -8.599 -10.521 1.00 0.00 C ATOM 181 C ASP A 12 -9.170 -9.807 -10.716 1.00 0.00 C ATOM 182 O ASP A 12 -9.265 -10.791 -9.982 1.00 0.00 O ATOM 183 CB ASP A 12 -11.484 -9.062 -10.117 1.00 0.00 C ATOM 184 CG ASP A 12 -11.716 -8.974 -8.622 1.00 0.00 C ATOM 185 OD1 ASP A 12 -11.345 -7.941 -8.024 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.269 -9.936 -8.049 1.00 0.00 O ATOM 0 H ASP A 12 -10.373 -8.305 -12.578 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.663 -7.983 -9.725 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.227 -8.454 -10.633 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.632 -10.091 -10.444 1.00 0.00 H new ATOM 191 N GLY A 13 -8.291 -9.732 -11.711 1.00 0.00 N ATOM 192 CA GLY A 13 -7.382 -10.833 -11.982 1.00 0.00 C ATOM 193 C GLY A 13 -6.022 -10.649 -11.336 1.00 0.00 C ATOM 194 O GLY A 13 -5.863 -9.827 -10.433 1.00 0.00 O ATOM 0 H GLY A 13 -8.191 -8.930 -12.334 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.827 -11.761 -11.623 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.256 -10.936 -13.060 1.00 0.00 H new ATOM 198 N ALA A 14 -5.041 -11.423 -11.792 1.00 0.00 N ATOM 199 CA ALA A 14 -3.687 -11.357 -11.250 1.00 0.00 C ATOM 200 C ALA A 14 -2.989 -10.054 -11.640 1.00 0.00 C ATOM 201 O ALA A 14 -3.602 -9.158 -12.219 1.00 0.00 O ATOM 202 CB ALA A 14 -2.874 -12.551 -11.726 1.00 0.00 C ATOM 0 H ALA A 14 -5.160 -12.107 -12.540 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.761 -11.383 -10.163 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.866 -12.492 -11.316 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.349 -13.472 -11.389 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.824 -12.546 -12.815 1.00 0.00 H new ATOM 208 N VAL A 15 -1.688 -9.985 -11.363 1.00 0.00 N ATOM 209 CA VAL A 15 -0.889 -8.822 -11.735 1.00 0.00 C ATOM 210 C VAL A 15 -0.755 -8.721 -13.250 1.00 0.00 C ATOM 211 O VAL A 15 -0.724 -9.739 -13.941 1.00 0.00 O ATOM 212 CB VAL A 15 0.521 -8.854 -11.116 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.276 -10.100 -11.554 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.294 -7.594 -11.488 1.00 0.00 C ATOM 0 H VAL A 15 -1.167 -10.719 -10.884 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.417 -7.952 -11.345 1.00 0.00 H new ATOM 0 HB VAL A 15 0.419 -8.887 -10.031 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.269 -10.101 -11.104 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.731 -10.988 -11.232 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.369 -10.106 -12.640 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.288 -7.632 -11.043 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.384 -7.529 -12.572 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.763 -6.718 -11.115 1.00 0.00 H new ATOM 224 N GLU A 16 -0.633 -7.505 -13.763 1.00 0.00 N ATOM 225 CA GLU A 16 -0.448 -7.302 -15.192 1.00 0.00 C ATOM 226 C GLU A 16 0.632 -6.251 -15.432 1.00 0.00 C ATOM 227 O GLU A 16 1.031 -5.542 -14.509 1.00 0.00 O ATOM 228 CB GLU A 16 -1.758 -6.895 -15.876 1.00 0.00 C ATOM 229 CG GLU A 16 -2.569 -8.075 -16.382 1.00 0.00 C ATOM 230 CD GLU A 16 -3.327 -8.780 -15.274 1.00 0.00 C ATOM 231 OE1 GLU A 16 -4.235 -8.155 -14.689 1.00 0.00 O ATOM 232 OE2 GLU A 16 -3.010 -9.955 -14.992 1.00 0.00 O ATOM 0 H GLU A 16 -0.659 -6.647 -13.213 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.130 -8.248 -15.631 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.363 -6.323 -15.173 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.532 -6.234 -16.713 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.275 -7.729 -17.137 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.903 -8.786 -16.871 1.00 0.00 H new ATOM 239 N ALA A 17 1.123 -6.197 -16.667 1.00 0.00 N ATOM 240 CA ALA A 17 2.199 -5.272 -17.048 1.00 0.00 C ATOM 241 C ALA A 17 2.314 -4.089 -16.076 1.00 0.00 C ATOM 242 O ALA A 17 3.256 -4.028 -15.287 1.00 0.00 O ATOM 243 CB ALA A 17 1.983 -4.769 -18.467 1.00 0.00 C ATOM 0 H ALA A 17 0.793 -6.787 -17.431 1.00 0.00 H new ATOM 0 HA ALA A 17 3.137 -5.825 -17.000 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.787 -4.085 -18.737 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.979 -5.614 -19.156 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.028 -4.248 -18.527 1.00 0.00 H new ATOM 249 N GLU A 18 1.377 -3.145 -16.142 1.00 0.00 N ATOM 250 CA GLU A 18 1.428 -1.971 -15.265 1.00 0.00 C ATOM 251 C GLU A 18 0.208 -1.888 -14.344 1.00 0.00 C ATOM 252 O GLU A 18 -0.664 -1.038 -14.527 1.00 0.00 O ATOM 253 CB GLU A 18 1.538 -0.697 -16.102 1.00 0.00 C ATOM 254 CG GLU A 18 2.799 -0.638 -16.951 1.00 0.00 C ATOM 255 CD GLU A 18 2.502 -0.559 -18.436 1.00 0.00 C ATOM 256 OE1 GLU A 18 1.739 -1.413 -18.935 1.00 0.00 O ATOM 257 OE2 GLU A 18 3.032 0.356 -19.098 1.00 0.00 O ATOM 0 H GLU A 18 0.583 -3.166 -16.783 1.00 0.00 H new ATOM 0 HA GLU A 18 2.310 -2.072 -14.633 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.667 -0.623 -16.753 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.515 0.168 -15.439 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.390 0.229 -16.656 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.407 -1.521 -16.753 1.00 0.00 H new ATOM 264 N ASP A 19 0.151 -2.791 -13.364 1.00 0.00 N ATOM 265 CA ASP A 19 -0.964 -2.853 -12.413 1.00 0.00 C ATOM 266 C ASP A 19 -0.632 -2.191 -11.073 1.00 0.00 C ATOM 267 O ASP A 19 0.407 -1.554 -10.919 1.00 0.00 O ATOM 268 CB ASP A 19 -1.316 -4.316 -12.164 1.00 0.00 C ATOM 269 CG ASP A 19 -2.081 -4.926 -13.313 1.00 0.00 C ATOM 270 OD1 ASP A 19 -2.117 -4.309 -14.399 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.649 -6.024 -13.127 1.00 0.00 O ATOM 0 H ASP A 19 0.871 -3.496 -13.206 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.801 -2.309 -12.851 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.401 -4.884 -11.998 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.910 -4.394 -11.253 1.00 0.00 H new ATOM 276 N ARG A 20 -1.531 -2.377 -10.097 1.00 0.00 N ATOM 277 CA ARG A 20 -1.353 -1.837 -8.749 1.00 0.00 C ATOM 278 C ARG A 20 -1.939 -2.805 -7.713 1.00 0.00 C ATOM 279 O ARG A 20 -3.148 -3.035 -7.684 1.00 0.00 O ATOM 280 CB ARG A 20 -2.017 -0.464 -8.614 1.00 0.00 C ATOM 281 CG ARG A 20 -1.093 0.617 -8.077 1.00 0.00 C ATOM 282 CD ARG A 20 -1.108 1.855 -8.958 1.00 0.00 C ATOM 283 NE ARG A 20 -1.149 3.086 -8.173 1.00 0.00 N ATOM 284 CZ ARG A 20 -1.597 4.249 -8.642 1.00 0.00 C ATOM 285 NH1 ARG A 20 -2.011 4.351 -9.898 1.00 0.00 N ATOM 286 NH2 ARG A 20 -1.627 5.314 -7.853 1.00 0.00 N ATOM 0 H ARG A 20 -2.396 -2.903 -10.222 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.284 -1.719 -8.569 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.393 -0.155 -9.590 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.880 -0.552 -7.954 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.397 0.886 -7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.077 0.228 -8.012 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.222 1.859 -9.592 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.973 1.818 -9.620 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.815 3.053 -7.210 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.987 3.536 -10.511 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.353 5.245 -10.251 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.307 5.242 -6.887 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.970 6.205 -8.212 1.00 0.00 H new ATOM 300 N VAL A 21 -1.080 -3.364 -6.863 1.00 0.00 N ATOM 301 CA VAL A 21 -1.511 -4.301 -5.821 1.00 0.00 C ATOM 302 C VAL A 21 -1.779 -3.597 -4.490 1.00 0.00 C ATOM 303 O VAL A 21 -1.370 -2.454 -4.287 1.00 0.00 O ATOM 304 CB VAL A 21 -0.448 -5.393 -5.584 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.231 -6.225 -6.840 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.860 -4.769 -5.123 1.00 0.00 C ATOM 0 H VAL A 21 -0.076 -3.185 -6.874 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.437 -4.750 -6.180 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.812 -6.057 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.523 -6.987 -6.646 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.167 -6.705 -7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.107 -5.579 -7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.600 -5.553 -4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.223 -4.080 -5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.696 -4.226 -4.192 1.00 0.00 H new ATOM 316 N THR A 22 -2.420 -4.316 -3.563 1.00 0.00 N ATOM 317 CA THR A 22 -2.685 -3.789 -2.231 1.00 0.00 C ATOM 318 C THR A 22 -1.978 -4.671 -1.210 1.00 0.00 C ATOM 319 O THR A 22 -2.309 -5.847 -1.066 1.00 0.00 O ATOM 320 CB THR A 22 -4.180 -3.752 -1.934 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.862 -2.941 -2.873 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.493 -3.226 -0.548 1.00 0.00 C ATOM 0 H THR A 22 -2.763 -5.264 -3.716 1.00 0.00 H new ATOM 0 HA THR A 22 -2.312 -2.766 -2.176 1.00 0.00 H new ATOM 0 HB THR A 22 -4.518 -4.786 -2.000 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.819 -2.933 -2.664 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.572 -3.223 -0.395 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.022 -3.865 0.199 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.110 -2.210 -0.449 1.00 0.00 H new ATOM 330 N ILE A 23 -0.973 -4.126 -0.541 1.00 0.00 N ATOM 331 CA ILE A 23 -0.207 -4.909 0.418 1.00 0.00 C ATOM 332 C ILE A 23 -0.040 -4.210 1.768 1.00 0.00 C ATOM 333 O ILE A 23 -0.042 -2.983 1.859 1.00 0.00 O ATOM 334 CB ILE A 23 1.196 -5.206 -0.140 1.00 0.00 C ATOM 335 CG1 ILE A 23 1.905 -3.900 -0.473 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.118 -6.099 -1.371 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.379 -4.063 -0.725 1.00 0.00 C ATOM 0 H ILE A 23 -0.671 -3.157 -0.642 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.773 -5.827 0.577 1.00 0.00 H new ATOM 0 HB ILE A 23 1.766 -5.738 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.441 -3.459 -1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.761 -3.198 0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.124 -6.293 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.641 -7.043 -1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.533 -5.602 -2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.818 -3.092 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.857 -4.475 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.532 -4.740 -1.566 1.00 0.00 H new ATOM 349 N ASP A 24 0.152 -5.023 2.802 1.00 0.00 N ATOM 350 CA ASP A 24 0.380 -4.540 4.161 1.00 0.00 C ATOM 351 C ASP A 24 1.710 -5.114 4.651 1.00 0.00 C ATOM 352 O ASP A 24 1.905 -6.331 4.614 1.00 0.00 O ATOM 353 CB ASP A 24 -0.752 -4.983 5.096 1.00 0.00 C ATOM 354 CG ASP A 24 -1.077 -6.457 4.956 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.337 -6.901 3.820 1.00 0.00 O ATOM 356 OD2 ASP A 24 -1.071 -7.167 5.985 1.00 0.00 O ATOM 0 H ASP A 24 0.154 -6.040 2.721 1.00 0.00 H new ATOM 0 HA ASP A 24 0.407 -3.450 4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.470 -4.773 6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.645 -4.395 4.884 1.00 0.00 H new ATOM 361 N PHE A 25 2.641 -4.263 5.078 1.00 0.00 N ATOM 362 CA PHE A 25 3.943 -4.761 5.524 1.00 0.00 C ATOM 363 C PHE A 25 4.484 -4.005 6.726 1.00 0.00 C ATOM 364 O PHE A 25 3.959 -2.967 7.118 1.00 0.00 O ATOM 365 CB PHE A 25 4.953 -4.683 4.379 1.00 0.00 C ATOM 366 CG PHE A 25 5.339 -3.283 3.992 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.207 -2.543 4.782 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.817 -2.701 2.850 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.545 -1.248 4.436 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.149 -1.407 2.507 1.00 0.00 C ATOM 371 CZ PHE A 25 6.010 -0.679 3.298 1.00 0.00 C ATOM 0 H PHE A 25 2.525 -3.251 5.125 1.00 0.00 H new ATOM 0 HA PHE A 25 3.795 -5.797 5.830 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.852 -5.230 4.664 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.536 -5.187 3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.623 -2.983 5.676 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.144 -3.265 2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.226 -0.683 5.055 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.732 -0.963 1.615 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.266 0.335 3.028 1.00 0.00 H new ATOM 381 N THR A 26 5.551 -4.552 7.303 1.00 0.00 N ATOM 382 CA THR A 26 6.198 -3.955 8.466 1.00 0.00 C ATOM 383 C THR A 26 7.688 -4.287 8.483 1.00 0.00 C ATOM 384 O THR A 26 8.067 -5.456 8.578 1.00 0.00 O ATOM 385 CB THR A 26 5.539 -4.453 9.752 1.00 0.00 C ATOM 386 OG1 THR A 26 4.130 -4.333 9.675 1.00 0.00 O ATOM 387 CG2 THR A 26 5.999 -3.709 10.989 1.00 0.00 C ATOM 0 H THR A 26 5.988 -5.415 6.980 1.00 0.00 H new ATOM 0 HA THR A 26 6.083 -2.873 8.403 1.00 0.00 H new ATOM 0 HB THR A 26 5.840 -5.497 9.844 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.728 -4.659 10.507 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.492 -4.113 11.866 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.076 -3.828 11.106 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.760 -2.650 10.887 1.00 0.00 H new ATOM 395 N GLY A 27 8.532 -3.261 8.384 1.00 0.00 N ATOM 396 CA GLY A 27 9.971 -3.487 8.385 1.00 0.00 C ATOM 397 C GLY A 27 10.779 -2.258 8.768 1.00 0.00 C ATOM 398 O GLY A 27 10.256 -1.149 8.817 1.00 0.00 O ATOM 0 H GLY A 27 8.249 -2.284 8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.203 -4.295 9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.279 -3.820 7.394 1.00 0.00 H new ATOM 402 N SER A 28 12.060 -2.473 9.050 1.00 0.00 N ATOM 403 CA SER A 28 12.964 -1.391 9.444 1.00 0.00 C ATOM 404 C SER A 28 13.993 -1.097 8.357 1.00 0.00 C ATOM 405 O SER A 28 14.165 -1.879 7.424 1.00 0.00 O ATOM 406 CB SER A 28 13.694 -1.771 10.735 1.00 0.00 C ATOM 407 OG SER A 28 13.123 -2.926 11.326 1.00 0.00 O ATOM 0 H SER A 28 12.500 -3.392 9.013 1.00 0.00 H new ATOM 0 HA SER A 28 12.362 -0.496 9.600 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.747 -1.952 10.520 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.650 -0.940 11.439 1.00 0.00 H new ATOM 0 HG SER A 28 13.609 -3.147 12.148 1.00 0.00 H new ATOM 413 N VAL A 29 14.693 0.028 8.506 1.00 0.00 N ATOM 414 CA VAL A 29 15.727 0.424 7.556 1.00 0.00 C ATOM 415 C VAL A 29 17.124 0.140 8.121 1.00 0.00 C ATOM 416 O VAL A 29 17.744 -0.864 7.769 1.00 0.00 O ATOM 417 CB VAL A 29 15.589 1.914 7.125 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.291 2.830 8.309 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.828 2.388 6.368 1.00 0.00 C ATOM 0 H VAL A 29 14.560 0.681 9.278 1.00 0.00 H new ATOM 0 HA VAL A 29 15.590 -0.180 6.659 1.00 0.00 H new ATOM 0 HB VAL A 29 14.735 1.970 6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.203 3.859 7.960 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.356 2.525 8.779 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.101 2.761 9.035 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.702 3.432 6.080 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.705 2.292 7.009 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.963 1.779 5.474 1.00 0.00 H new ATOM 429 N ASP A 30 17.617 1.009 9.001 1.00 0.00 N ATOM 430 CA ASP A 30 18.929 0.820 9.602 1.00 0.00 C ATOM 431 C ASP A 30 18.798 0.122 10.950 1.00 0.00 C ATOM 432 O ASP A 30 19.508 0.445 11.903 1.00 0.00 O ATOM 433 CB ASP A 30 19.633 2.167 9.781 1.00 0.00 C ATOM 434 CG ASP A 30 21.141 2.052 9.668 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.617 1.464 8.674 1.00 0.00 O ATOM 436 OD2 ASP A 30 21.843 2.547 10.574 1.00 0.00 O ATOM 0 H ASP A 30 17.127 1.848 9.311 1.00 0.00 H new ATOM 0 HA ASP A 30 19.525 0.196 8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 30 19.268 2.867 9.030 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.375 2.582 10.755 1.00 0.00 H new ATOM 441 N GLY A 31 17.872 -0.829 11.029 1.00 0.00 N ATOM 442 CA GLY A 31 17.650 -1.547 12.268 1.00 0.00 C ATOM 443 C GLY A 31 16.504 -0.962 13.074 1.00 0.00 C ATOM 444 O GLY A 31 16.094 -1.535 14.084 1.00 0.00 O ATOM 0 H GLY A 31 17.272 -1.114 10.255 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.439 -2.593 12.047 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.561 -1.525 12.866 1.00 0.00 H new ATOM 448 N GLU A 32 15.982 0.176 12.622 1.00 0.00 N ATOM 449 CA GLU A 32 14.875 0.833 13.303 1.00 0.00 C ATOM 450 C GLU A 32 13.821 1.280 12.296 1.00 0.00 C ATOM 451 O GLU A 32 14.075 2.135 11.448 1.00 0.00 O ATOM 452 CB GLU A 32 15.378 2.032 14.110 1.00 0.00 C ATOM 453 CG GLU A 32 16.522 1.689 15.051 1.00 0.00 C ATOM 454 CD GLU A 32 16.049 1.013 16.323 1.00 0.00 C ATOM 455 OE1 GLU A 32 15.402 1.689 17.150 1.00 0.00 O ATOM 456 OE2 GLU A 32 16.329 -0.193 16.493 1.00 0.00 O ATOM 0 H GLU A 32 16.310 0.661 11.786 1.00 0.00 H new ATOM 0 HA GLU A 32 14.421 0.118 13.989 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.704 2.812 13.422 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.551 2.443 14.689 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.227 1.035 14.537 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.062 2.600 15.308 1.00 0.00 H new ATOM 463 N GLU A 33 12.639 0.681 12.392 1.00 0.00 N ATOM 464 CA GLU A 33 11.542 0.987 11.494 1.00 0.00 C ATOM 465 C GLU A 33 11.209 2.462 11.540 1.00 0.00 C ATOM 466 O GLU A 33 10.884 3.010 12.592 1.00 0.00 O ATOM 467 CB GLU A 33 10.313 0.156 11.861 1.00 0.00 C ATOM 468 CG GLU A 33 9.957 0.216 13.336 1.00 0.00 C ATOM 469 CD GLU A 33 8.745 1.085 13.606 1.00 0.00 C ATOM 470 OE1 GLU A 33 7.814 1.081 12.772 1.00 0.00 O ATOM 471 OE2 GLU A 33 8.727 1.769 14.650 1.00 0.00 O ATOM 0 H GLU A 33 12.419 -0.027 13.093 1.00 0.00 H new ATOM 0 HA GLU A 33 11.848 0.736 10.478 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.462 0.504 11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.490 -0.882 11.580 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.765 -0.793 13.701 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.809 0.602 13.897 1.00 0.00 H new ATOM 478 N PHE A 34 11.330 3.105 10.394 1.00 0.00 N ATOM 479 CA PHE A 34 11.083 4.541 10.268 1.00 0.00 C ATOM 480 C PHE A 34 9.598 4.864 10.112 1.00 0.00 C ATOM 481 O PHE A 34 8.752 4.287 10.796 1.00 0.00 O ATOM 482 CB PHE A 34 11.914 5.090 9.085 1.00 0.00 C ATOM 483 CG PHE A 34 11.448 4.663 7.708 1.00 0.00 C ATOM 484 CD1 PHE A 34 11.314 3.323 7.371 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.157 5.617 6.742 1.00 0.00 C ATOM 486 CE1 PHE A 34 10.898 2.946 6.108 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.740 5.245 5.479 1.00 0.00 C ATOM 488 CZ PHE A 34 10.611 3.909 5.162 1.00 0.00 C ATOM 0 H PHE A 34 11.602 2.653 9.521 1.00 0.00 H new ATOM 0 HA PHE A 34 11.397 5.031 11.190 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.905 6.179 9.131 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.949 4.774 9.213 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.538 2.564 8.106 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.258 6.665 6.982 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.798 1.899 5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.515 6.000 4.740 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.286 3.617 4.175 1.00 0.00 H new ATOM 498 N GLU A 35 9.288 5.767 9.202 1.00 0.00 N ATOM 499 CA GLU A 35 7.909 6.160 8.930 1.00 0.00 C ATOM 500 C GLU A 35 7.152 5.030 8.239 1.00 0.00 C ATOM 501 O GLU A 35 6.092 4.604 8.698 1.00 0.00 O ATOM 502 CB GLU A 35 7.874 7.413 8.052 1.00 0.00 C ATOM 503 CG GLU A 35 8.213 8.693 8.798 1.00 0.00 C ATOM 504 CD GLU A 35 6.993 9.556 9.057 1.00 0.00 C ATOM 505 OE1 GLU A 35 5.951 9.003 9.466 1.00 0.00 O ATOM 506 OE2 GLU A 35 7.082 10.785 8.854 1.00 0.00 O ATOM 0 H GLU A 35 9.979 6.251 8.629 1.00 0.00 H new ATOM 0 HA GLU A 35 7.426 6.377 9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.575 7.287 7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.881 7.511 7.614 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.684 8.442 9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.942 9.263 8.222 1.00 0.00 H new ATOM 513 N GLY A 36 7.710 4.554 7.126 1.00 0.00 N ATOM 514 CA GLY A 36 7.085 3.479 6.376 1.00 0.00 C ATOM 515 C GLY A 36 7.365 2.112 6.965 1.00 0.00 C ATOM 516 O GLY A 36 7.068 1.094 6.344 1.00 0.00 O ATOM 0 H GLY A 36 8.586 4.896 6.731 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.008 3.642 6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.441 3.506 5.346 1.00 0.00 H new ATOM 520 N GLY A 37 7.936 2.083 8.166 1.00 0.00 N ATOM 521 CA GLY A 37 8.241 0.822 8.807 1.00 0.00 C ATOM 522 C GLY A 37 7.022 -0.067 8.980 1.00 0.00 C ATOM 523 O GLY A 37 7.152 -1.237 9.332 1.00 0.00 O ATOM 0 H GLY A 37 8.192 2.911 8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.989 0.292 8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.684 1.015 9.784 1.00 0.00 H new ATOM 527 N LYS A 38 5.836 0.483 8.727 1.00 0.00 N ATOM 528 CA LYS A 38 4.602 -0.279 8.850 1.00 0.00 C ATOM 529 C LYS A 38 3.540 0.257 7.895 1.00 0.00 C ATOM 530 O LYS A 38 3.177 1.432 7.944 1.00 0.00 O ATOM 531 CB LYS A 38 4.083 -0.245 10.290 1.00 0.00 C ATOM 532 CG LYS A 38 3.866 1.159 10.832 1.00 0.00 C ATOM 533 CD LYS A 38 5.057 1.632 11.650 1.00 0.00 C ATOM 534 CE LYS A 38 5.821 2.737 10.938 1.00 0.00 C ATOM 535 NZ LYS A 38 5.538 4.078 11.524 1.00 0.00 N ATOM 0 H LYS A 38 5.707 1.452 8.436 1.00 0.00 H new ATOM 0 HA LYS A 38 4.818 -1.314 8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.142 -0.793 10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.791 -0.767 10.934 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.696 1.847 10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.969 1.176 11.451 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.713 1.993 12.619 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.725 0.792 11.841 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.890 2.534 10.996 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.554 2.739 9.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.623 4.805 10.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.573 4.091 11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.220 4.276 12.284 1.00 0.00 H new ATOM 549 N ALA A 39 3.046 -0.617 7.030 1.00 0.00 N ATOM 550 CA ALA A 39 2.025 -0.250 6.062 1.00 0.00 C ATOM 551 C ALA A 39 0.919 -1.294 6.040 1.00 0.00 C ATOM 552 O ALA A 39 1.171 -2.484 6.224 1.00 0.00 O ATOM 553 CB ALA A 39 2.630 -0.089 4.674 1.00 0.00 C ATOM 0 H ALA A 39 3.339 -1.593 6.980 1.00 0.00 H new ATOM 0 HA ALA A 39 1.597 0.707 6.361 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.848 0.186 3.966 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.390 0.692 4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.086 -1.029 4.364 1.00 0.00 H new ATOM 559 N SER A 40 -0.306 -0.842 5.817 1.00 0.00 N ATOM 560 CA SER A 40 -1.449 -1.743 5.775 1.00 0.00 C ATOM 561 C SER A 40 -2.053 -1.787 4.379 1.00 0.00 C ATOM 562 O SER A 40 -2.073 -2.832 3.730 1.00 0.00 O ATOM 563 CB SER A 40 -2.510 -1.306 6.786 1.00 0.00 C ATOM 564 OG SER A 40 -2.576 0.107 6.880 1.00 0.00 O ATOM 0 H SER A 40 -0.534 0.140 5.663 1.00 0.00 H new ATOM 0 HA SER A 40 -1.100 -2.742 6.035 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.482 -1.699 6.490 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.280 -1.728 7.764 1.00 0.00 H new ATOM 0 HG SER A 40 -3.263 0.360 7.532 1.00 0.00 H new ATOM 570 N ASP A 41 -2.492 -0.638 3.894 1.00 0.00 N ATOM 571 CA ASP A 41 -3.035 -0.518 2.558 1.00 0.00 C ATOM 572 C ASP A 41 -1.986 0.119 1.665 1.00 0.00 C ATOM 573 O ASP A 41 -2.131 1.271 1.254 1.00 0.00 O ATOM 574 CB ASP A 41 -4.314 0.322 2.566 1.00 0.00 C ATOM 575 CG ASP A 41 -5.363 -0.235 3.508 1.00 0.00 C ATOM 576 OD1 ASP A 41 -5.767 -1.402 3.323 1.00 0.00 O ATOM 577 OD2 ASP A 41 -5.783 0.497 4.430 1.00 0.00 O ATOM 0 H ASP A 41 -2.481 0.237 4.418 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.292 -1.507 2.178 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.073 1.344 2.858 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.723 0.367 1.557 1.00 0.00 H new ATOM 582 N PHE A 42 -0.939 -0.618 1.357 1.00 0.00 N ATOM 583 CA PHE A 42 0.116 -0.093 0.500 1.00 0.00 C ATOM 584 C PHE A 42 -0.204 -0.393 -0.954 1.00 0.00 C ATOM 585 O PHE A 42 -0.121 -1.539 -1.395 1.00 0.00 O ATOM 586 CB PHE A 42 1.477 -0.686 0.878 1.00 0.00 C ATOM 587 CG PHE A 42 2.649 0.070 0.308 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.675 1.454 0.351 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.718 -0.600 -0.271 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.744 2.158 -0.171 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.788 0.099 -0.794 1.00 0.00 C ATOM 592 CZ PHE A 42 4.801 1.480 -0.744 1.00 0.00 C ATOM 0 H PHE A 42 -0.792 -1.574 1.681 1.00 0.00 H new ATOM 0 HA PHE A 42 0.169 0.987 0.640 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.564 -0.708 1.964 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.521 -1.719 0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.850 1.990 0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.713 -1.679 -0.313 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.752 3.237 -0.131 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.614 -0.433 -1.242 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.637 2.028 -1.153 1.00 0.00 H new ATOM 602 N VAL A 43 -0.577 0.640 -1.698 1.00 0.00 N ATOM 603 CA VAL A 43 -0.918 0.484 -3.099 1.00 0.00 C ATOM 604 C VAL A 43 0.330 0.539 -3.968 1.00 0.00 C ATOM 605 O VAL A 43 0.819 1.615 -4.311 1.00 0.00 O ATOM 606 CB VAL A 43 -1.898 1.578 -3.547 1.00 0.00 C ATOM 607 CG1 VAL A 43 -2.386 1.315 -4.962 1.00 0.00 C ATOM 608 CG2 VAL A 43 -3.067 1.675 -2.579 1.00 0.00 C ATOM 0 H VAL A 43 -0.650 1.596 -1.350 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.393 -0.490 -3.216 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.373 2.533 -3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.079 2.102 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.536 1.303 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.894 0.351 -4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.751 2.455 -2.912 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.593 0.721 -2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.696 1.919 -1.584 1.00 0.00 H new ATOM 618 N LEU A 44 0.845 -0.633 -4.313 1.00 0.00 N ATOM 619 CA LEU A 44 2.042 -0.730 -5.132 1.00 0.00 C ATOM 620 C LEU A 44 1.687 -0.769 -6.610 1.00 0.00 C ATOM 621 O LEU A 44 0.786 -1.496 -7.017 1.00 0.00 O ATOM 622 CB LEU A 44 2.830 -1.978 -4.754 1.00 0.00 C ATOM 623 CG LEU A 44 4.313 -1.747 -4.485 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.005 -3.065 -4.225 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.970 -1.026 -5.655 1.00 0.00 C ATOM 0 H LEU A 44 0.450 -1.532 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 44 2.655 0.153 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.379 -2.419 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.731 -2.709 -5.557 1.00 0.00 H new ATOM 0 HG LEU A 44 4.408 -1.117 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.064 -2.889 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.555 -3.547 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.896 -3.711 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.028 -0.872 -5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.867 -1.628 -6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.486 -0.061 -5.806 1.00 0.00 H new ATOM 637 N ALA A 45 2.413 0.008 -7.403 1.00 0.00 N ATOM 638 CA ALA A 45 2.188 0.063 -8.843 1.00 0.00 C ATOM 639 C ALA A 45 3.167 -0.836 -9.591 1.00 0.00 C ATOM 640 O ALA A 45 4.346 -0.512 -9.729 1.00 0.00 O ATOM 641 CB ALA A 45 2.293 1.497 -9.336 1.00 0.00 C ATOM 0 H ALA A 45 3.166 0.611 -7.072 1.00 0.00 H new ATOM 0 HA ALA A 45 1.182 -0.305 -9.044 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.123 1.525 -10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.544 2.110 -8.834 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.287 1.886 -9.115 1.00 0.00 H new ATOM 647 N MET A 46 2.663 -1.971 -10.067 1.00 0.00 N ATOM 648 CA MET A 46 3.476 -2.933 -10.801 1.00 0.00 C ATOM 649 C MET A 46 3.961 -2.358 -12.124 1.00 0.00 C ATOM 650 O MET A 46 3.330 -2.550 -13.159 1.00 0.00 O ATOM 651 CB MET A 46 2.679 -4.211 -11.059 1.00 0.00 C ATOM 652 CG MET A 46 2.022 -4.776 -9.814 1.00 0.00 C ATOM 653 SD MET A 46 3.220 -5.474 -8.663 1.00 0.00 S ATOM 654 CE MET A 46 3.326 -4.159 -7.455 1.00 0.00 C ATOM 0 H MET A 46 1.688 -2.247 -9.956 1.00 0.00 H new ATOM 0 HA MET A 46 4.348 -3.164 -10.188 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.911 -4.006 -11.805 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.343 -4.964 -11.484 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.458 -3.988 -9.314 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.307 -5.546 -10.102 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.794 -4.537 -6.546 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.924 -3.342 -7.858 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.325 -3.796 -7.224 1.00 0.00 H new ATOM 664 N GLY A 47 5.094 -1.666 -12.081 1.00 0.00 N ATOM 665 CA GLY A 47 5.653 -1.081 -13.286 1.00 0.00 C ATOM 666 C GLY A 47 5.247 0.367 -13.479 1.00 0.00 C ATOM 667 O GLY A 47 4.692 0.732 -14.515 1.00 0.00 O ATOM 0 H GLY A 47 5.636 -1.499 -11.233 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.740 -1.146 -13.246 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.331 -1.662 -14.150 1.00 0.00 H new ATOM 671 N GLN A 48 5.530 1.192 -12.480 1.00 0.00 N ATOM 672 CA GLN A 48 5.197 2.610 -12.539 1.00 0.00 C ATOM 673 C GLN A 48 6.374 3.452 -12.064 1.00 0.00 C ATOM 674 O GLN A 48 6.997 4.167 -12.849 1.00 0.00 O ATOM 675 CB GLN A 48 3.966 2.900 -11.680 1.00 0.00 C ATOM 676 CG GLN A 48 3.104 4.034 -12.208 1.00 0.00 C ATOM 677 CD GLN A 48 3.755 5.392 -12.036 1.00 0.00 C ATOM 678 OE1 GLN A 48 3.879 6.159 -12.992 1.00 0.00 O ATOM 679 NE2 GLN A 48 4.175 5.697 -10.815 1.00 0.00 N ATOM 0 H GLN A 48 5.990 0.903 -11.617 1.00 0.00 H new ATOM 0 HA GLN A 48 4.975 2.871 -13.574 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.360 1.996 -11.613 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.290 3.143 -10.668 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.897 3.866 -13.265 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.145 4.027 -11.690 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.052 5.031 -10.052 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.621 6.597 -10.639 1.00 0.00 H new ATOM 688 N GLY A 49 6.678 3.353 -10.775 1.00 0.00 N ATOM 689 CA GLY A 49 7.786 4.100 -10.213 1.00 0.00 C ATOM 690 C GLY A 49 9.026 3.244 -10.052 1.00 0.00 C ATOM 691 O GLY A 49 9.458 2.980 -8.934 1.00 0.00 O ATOM 0 H GLY A 49 6.175 2.767 -10.108 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.013 4.950 -10.857 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.496 4.504 -9.243 1.00 0.00 H new ATOM 695 N ARG A 50 9.593 2.807 -11.175 1.00 0.00 N ATOM 696 CA ARG A 50 10.793 1.968 -11.170 1.00 0.00 C ATOM 697 C ARG A 50 10.753 0.922 -10.052 1.00 0.00 C ATOM 698 O ARG A 50 11.612 0.900 -9.171 1.00 0.00 O ATOM 699 CB ARG A 50 12.054 2.834 -11.054 1.00 0.00 C ATOM 700 CG ARG A 50 12.274 3.444 -9.675 1.00 0.00 C ATOM 701 CD ARG A 50 13.662 3.126 -9.138 1.00 0.00 C ATOM 702 NE ARG A 50 14.705 3.368 -10.136 1.00 0.00 N ATOM 703 CZ ARG A 50 15.284 2.412 -10.862 1.00 0.00 C ATOM 704 NH1 ARG A 50 14.919 1.142 -10.723 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.227 2.729 -11.739 1.00 0.00 N ATOM 0 H ARG A 50 9.238 3.021 -12.107 1.00 0.00 H new ATOM 0 HA ARG A 50 10.821 1.431 -12.118 1.00 0.00 H new ATOM 0 HB2 ARG A 50 12.922 2.227 -11.312 1.00 0.00 H new ATOM 0 HB3 ARG A 50 11.997 3.637 -11.788 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.143 4.525 -9.729 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.520 3.066 -8.984 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.857 3.734 -8.255 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.698 2.084 -8.821 1.00 0.00 H new ATOM 0 HE ARG A 50 15.008 4.330 -10.285 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.189 0.891 -10.056 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.368 0.418 -11.283 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.508 3.703 -11.857 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.672 1.999 -12.296 1.00 0.00 H new ATOM 719 N MET A 51 9.750 0.055 -10.101 1.00 0.00 N ATOM 720 CA MET A 51 9.592 -0.997 -9.102 1.00 0.00 C ATOM 721 C MET A 51 10.899 -1.754 -8.885 1.00 0.00 C ATOM 722 O MET A 51 11.382 -2.451 -9.778 1.00 0.00 O ATOM 723 CB MET A 51 8.491 -1.964 -9.533 1.00 0.00 C ATOM 724 CG MET A 51 7.184 -1.747 -8.795 1.00 0.00 C ATOM 725 SD MET A 51 6.223 -3.260 -8.650 1.00 0.00 S ATOM 726 CE MET A 51 6.941 -3.956 -7.174 1.00 0.00 C ATOM 0 H MET A 51 9.031 0.059 -10.824 1.00 0.00 H new ATOM 0 HA MET A 51 9.313 -0.529 -8.158 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.319 -1.855 -10.604 1.00 0.00 H new ATOM 0 HB3 MET A 51 8.829 -2.987 -9.367 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.392 -1.355 -7.800 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.595 -0.994 -9.318 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.478 -4.920 -6.964 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.013 -4.092 -7.320 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.772 -3.282 -6.334 1.00 0.00 H new ATOM 736 N ILE A 52 11.463 -1.614 -7.690 1.00 0.00 N ATOM 737 CA ILE A 52 12.712 -2.290 -7.351 1.00 0.00 C ATOM 738 C ILE A 52 12.510 -3.800 -7.278 1.00 0.00 C ATOM 739 O ILE A 52 11.384 -4.278 -7.142 1.00 0.00 O ATOM 740 CB ILE A 52 13.305 -1.798 -6.008 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.203 -1.407 -5.020 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.247 -0.628 -6.244 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.714 -1.133 -3.622 1.00 0.00 C ATOM 0 H ILE A 52 11.077 -1.040 -6.941 1.00 0.00 H new ATOM 0 HA ILE A 52 13.416 -2.046 -8.146 1.00 0.00 H new ATOM 0 HB ILE A 52 13.868 -2.622 -5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.691 -0.519 -5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.464 -2.207 -4.978 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.656 -0.293 -5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.060 -0.942 -6.898 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.700 0.191 -6.712 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.879 -0.862 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.200 -2.027 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.431 -0.313 -3.651 1.00 0.00 H new ATOM 755 N PRO A 53 13.603 -4.579 -7.359 1.00 0.00 N ATOM 756 CA PRO A 53 13.533 -6.040 -7.293 1.00 0.00 C ATOM 757 C PRO A 53 12.875 -6.512 -6.006 1.00 0.00 C ATOM 758 O PRO A 53 12.208 -7.546 -5.979 1.00 0.00 O ATOM 759 CB PRO A 53 15.002 -6.484 -7.337 1.00 0.00 C ATOM 760 CG PRO A 53 15.791 -5.264 -7.001 1.00 0.00 C ATOM 761 CD PRO A 53 14.987 -4.103 -7.509 1.00 0.00 C ATOM 0 HA PRO A 53 12.934 -6.457 -8.102 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.193 -7.285 -6.623 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.268 -6.866 -8.323 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.953 -5.187 -5.926 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.775 -5.293 -7.470 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.170 -3.199 -6.928 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.225 -3.869 -8.547 1.00 0.00 H new ATOM 769 N GLY A 54 13.065 -5.738 -4.944 1.00 0.00 N ATOM 770 CA GLY A 54 12.484 -6.078 -3.661 1.00 0.00 C ATOM 771 C GLY A 54 10.983 -6.266 -3.733 1.00 0.00 C ATOM 772 O GLY A 54 10.468 -7.348 -3.439 1.00 0.00 O ATOM 0 H GLY A 54 13.613 -4.878 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.944 -6.994 -3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.714 -5.291 -2.942 1.00 0.00 H new ATOM 776 N PHE A 55 10.279 -5.213 -4.134 1.00 0.00 N ATOM 777 CA PHE A 55 8.838 -5.276 -4.246 1.00 0.00 C ATOM 778 C PHE A 55 8.438 -6.198 -5.390 1.00 0.00 C ATOM 779 O PHE A 55 7.533 -7.020 -5.253 1.00 0.00 O ATOM 780 CB PHE A 55 8.244 -3.885 -4.480 1.00 0.00 C ATOM 781 CG PHE A 55 8.193 -2.995 -3.265 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.398 -3.315 -2.171 1.00 0.00 C ATOM 783 CD2 PHE A 55 8.928 -1.821 -3.229 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.341 -2.484 -1.073 1.00 0.00 C ATOM 785 CE2 PHE A 55 8.875 -0.987 -2.129 1.00 0.00 C ATOM 786 CZ PHE A 55 8.080 -1.319 -1.051 1.00 0.00 C ATOM 0 H PHE A 55 10.686 -4.312 -4.384 1.00 0.00 H new ATOM 0 HA PHE A 55 8.446 -5.670 -3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.827 -3.384 -5.253 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.232 -4.000 -4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.818 -4.226 -2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.550 -1.555 -4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.718 -2.745 -0.230 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.455 -0.076 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.036 -0.667 -0.191 1.00 0.00 H new ATOM 796 N GLU A 56 9.126 -6.055 -6.521 1.00 0.00 N ATOM 797 CA GLU A 56 8.850 -6.877 -7.695 1.00 0.00 C ATOM 798 C GLU A 56 8.950 -8.362 -7.359 1.00 0.00 C ATOM 799 O GLU A 56 8.413 -9.207 -8.075 1.00 0.00 O ATOM 800 CB GLU A 56 9.813 -6.527 -8.832 1.00 0.00 C ATOM 801 CG GLU A 56 9.173 -6.588 -10.209 1.00 0.00 C ATOM 802 CD GLU A 56 9.996 -5.881 -11.269 1.00 0.00 C ATOM 803 OE1 GLU A 56 10.041 -4.633 -11.251 1.00 0.00 O ATOM 804 OE2 GLU A 56 10.592 -6.576 -12.119 1.00 0.00 O ATOM 0 H GLU A 56 9.878 -5.378 -6.648 1.00 0.00 H new ATOM 0 HA GLU A 56 7.831 -6.668 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.208 -5.524 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.661 -7.212 -8.803 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.037 -7.631 -10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.181 -6.138 -10.165 1.00 0.00 H new ATOM 811 N ASP A 57 9.635 -8.674 -6.260 1.00 0.00 N ATOM 812 CA ASP A 57 9.794 -10.056 -5.831 1.00 0.00 C ATOM 813 C ASP A 57 8.529 -10.559 -5.142 1.00 0.00 C ATOM 814 O ASP A 57 7.765 -11.335 -5.716 1.00 0.00 O ATOM 815 CB ASP A 57 10.992 -10.190 -4.886 1.00 0.00 C ATOM 816 CG ASP A 57 12.021 -11.182 -5.392 1.00 0.00 C ATOM 817 OD1 ASP A 57 11.624 -12.171 -6.044 1.00 0.00 O ATOM 818 OD2 ASP A 57 13.226 -10.970 -5.136 1.00 0.00 O ATOM 0 H ASP A 57 10.086 -7.988 -5.654 1.00 0.00 H new ATOM 0 HA ASP A 57 9.973 -10.665 -6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.463 -9.215 -4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.642 -10.504 -3.903 1.00 0.00 H new ATOM 823 N GLY A 58 8.325 -10.139 -3.896 1.00 0.00 N ATOM 824 CA GLY A 58 7.166 -10.588 -3.147 1.00 0.00 C ATOM 825 C GLY A 58 5.870 -10.024 -3.684 1.00 0.00 C ATOM 826 O GLY A 58 4.933 -10.767 -3.973 1.00 0.00 O ATOM 0 H GLY A 58 8.940 -9.498 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.122 -11.677 -3.172 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.279 -10.298 -2.102 1.00 0.00 H new ATOM 830 N ILE A 59 5.820 -8.708 -3.815 1.00 0.00 N ATOM 831 CA ILE A 59 4.654 -8.013 -4.312 1.00 0.00 C ATOM 832 C ILE A 59 4.579 -8.077 -5.827 1.00 0.00 C ATOM 833 O ILE A 59 4.142 -7.139 -6.490 1.00 0.00 O ATOM 834 CB ILE A 59 4.679 -6.549 -3.852 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.126 -6.458 -2.386 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.309 -5.919 -4.026 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.618 -6.542 -2.182 1.00 0.00 C ATOM 0 H ILE A 59 6.597 -8.091 -3.576 1.00 0.00 H new ATOM 0 HA ILE A 59 3.770 -8.506 -3.907 1.00 0.00 H new ATOM 0 HB ILE A 59 5.394 -6.003 -4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.767 -5.518 -1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.649 -7.260 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.341 -4.881 -3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.022 -5.957 -5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.578 -6.466 -3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.844 -6.469 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.985 -7.493 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.104 -5.724 -2.713 1.00 0.00 H new ATOM 849 N LYS A 60 4.947 -9.235 -6.337 1.00 0.00 N ATOM 850 CA LYS A 60 4.855 -9.481 -7.766 1.00 0.00 C ATOM 851 C LYS A 60 3.437 -9.085 -8.174 1.00 0.00 C ATOM 852 O LYS A 60 3.217 -8.333 -9.123 1.00 0.00 O ATOM 853 CB LYS A 60 5.131 -10.950 -8.091 1.00 0.00 C ATOM 854 CG LYS A 60 6.526 -11.194 -8.636 1.00 0.00 C ATOM 855 CD LYS A 60 6.606 -12.507 -9.395 1.00 0.00 C ATOM 856 CE LYS A 60 6.117 -12.352 -10.824 1.00 0.00 C ATOM 857 NZ LYS A 60 6.946 -13.135 -11.781 1.00 0.00 N ATOM 0 H LYS A 60 5.310 -10.016 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 60 5.599 -8.903 -8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.992 -11.546 -7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.398 -11.297 -8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.809 -10.374 -9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.242 -11.203 -7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.636 -12.865 -9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.008 -13.261 -8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.079 -12.679 -10.890 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.138 -11.298 -11.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.580 -13.003 -12.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.932 -12.806 -11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.906 -14.144 -11.531 1.00 0.00 H new ATOM 871 N GLY A 61 2.490 -9.651 -7.435 1.00 0.00 N ATOM 872 CA GLY A 61 1.081 -9.434 -7.677 1.00 0.00 C ATOM 873 C GLY A 61 0.455 -10.692 -8.216 1.00 0.00 C ATOM 874 O GLY A 61 -0.298 -10.676 -9.188 1.00 0.00 O ATOM 0 H GLY A 61 2.685 -10.274 -6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.586 -9.138 -6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.946 -8.617 -8.386 1.00 0.00 H new ATOM 878 N HIS A 62 0.802 -11.796 -7.572 1.00 0.00 N ATOM 879 CA HIS A 62 0.309 -13.112 -7.978 1.00 0.00 C ATOM 880 C HIS A 62 -0.397 -13.850 -6.843 1.00 0.00 C ATOM 881 O HIS A 62 -1.104 -14.827 -7.085 1.00 0.00 O ATOM 882 CB HIS A 62 1.465 -13.967 -8.511 1.00 0.00 C ATOM 883 CG HIS A 62 2.553 -14.233 -7.508 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.510 -15.208 -7.688 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.843 -13.644 -6.319 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.338 -15.211 -6.658 1.00 0.00 C ATOM 887 NE2 HIS A 62 3.957 -14.271 -5.814 1.00 0.00 N ATOM 0 H HIS A 62 1.424 -11.811 -6.764 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.426 -12.947 -8.766 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.066 -14.920 -8.858 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.900 -13.469 -9.378 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.299 -12.834 -5.856 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.183 -15.871 -6.529 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.415 -14.046 -4.931 1.00 0.00 H new ATOM 895 N LYS A 63 -0.203 -13.396 -5.610 1.00 0.00 N ATOM 896 CA LYS A 63 -0.828 -14.042 -4.464 1.00 0.00 C ATOM 897 C LYS A 63 -1.737 -13.079 -3.706 1.00 0.00 C ATOM 898 O LYS A 63 -1.337 -12.492 -2.702 1.00 0.00 O ATOM 899 CB LYS A 63 0.236 -14.595 -3.521 1.00 0.00 C ATOM 900 CG LYS A 63 0.978 -15.800 -4.070 1.00 0.00 C ATOM 901 CD LYS A 63 0.333 -17.101 -3.619 1.00 0.00 C ATOM 902 CE LYS A 63 -0.117 -17.939 -4.803 1.00 0.00 C ATOM 903 NZ LYS A 63 1.004 -18.221 -5.740 1.00 0.00 N ATOM 0 H LYS A 63 0.378 -12.589 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.439 -14.862 -4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.956 -13.807 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.236 -14.870 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.990 -15.757 -5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.016 -15.772 -3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.042 -17.670 -3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.523 -16.882 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.536 -18.879 -4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.913 -17.418 -5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.852 -19.143 -6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.044 -17.478 -6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.901 -18.239 -5.213 1.00 0.00 H new ATOM 917 N ALA A 64 -2.971 -12.947 -4.179 1.00 0.00 N ATOM 918 CA ALA A 64 -3.948 -12.085 -3.531 1.00 0.00 C ATOM 919 C ALA A 64 -4.216 -12.534 -2.092 1.00 0.00 C ATOM 920 O ALA A 64 -5.027 -13.430 -1.858 1.00 0.00 O ATOM 921 CB ALA A 64 -5.242 -12.066 -4.331 1.00 0.00 C ATOM 0 H ALA A 64 -3.317 -13.427 -5.010 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.539 -11.075 -3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.966 -11.418 -3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.044 -11.690 -5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.645 -13.077 -4.395 1.00 0.00 H new ATOM 927 N GLY A 65 -3.537 -11.910 -1.131 1.00 0.00 N ATOM 928 CA GLY A 65 -3.734 -12.270 0.267 1.00 0.00 C ATOM 929 C GLY A 65 -2.610 -13.132 0.816 1.00 0.00 C ATOM 930 O GLY A 65 -2.843 -14.026 1.629 1.00 0.00 O ATOM 0 H GLY A 65 -2.858 -11.166 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.814 -11.361 0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.679 -12.803 0.371 1.00 0.00 H new ATOM 934 N GLU A 66 -1.389 -12.864 0.364 1.00 0.00 N ATOM 935 CA GLU A 66 -0.219 -13.622 0.800 1.00 0.00 C ATOM 936 C GLU A 66 0.559 -12.892 1.893 1.00 0.00 C ATOM 937 O GLU A 66 0.349 -11.705 2.132 1.00 0.00 O ATOM 938 CB GLU A 66 0.691 -13.894 -0.398 1.00 0.00 C ATOM 939 CG GLU A 66 1.961 -14.658 -0.062 1.00 0.00 C ATOM 940 CD GLU A 66 2.812 -14.936 -1.286 1.00 0.00 C ATOM 941 OE1 GLU A 66 3.015 -14.004 -2.092 1.00 0.00 O ATOM 942 OE2 GLU A 66 3.274 -16.087 -1.437 1.00 0.00 O ATOM 0 H GLU A 66 -1.183 -12.124 -0.307 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.568 -14.564 1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.130 -14.456 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.964 -12.943 -0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.544 -14.087 0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.698 -15.602 0.416 1.00 0.00 H new ATOM 949 N GLU A 67 1.471 -13.621 2.535 1.00 0.00 N ATOM 950 CA GLU A 67 2.318 -13.068 3.588 1.00 0.00 C ATOM 951 C GLU A 67 3.773 -13.459 3.333 1.00 0.00 C ATOM 952 O GLU A 67 4.154 -14.615 3.519 1.00 0.00 O ATOM 953 CB GLU A 67 1.871 -13.578 4.961 1.00 0.00 C ATOM 954 CG GLU A 67 2.739 -13.087 6.112 1.00 0.00 C ATOM 955 CD GLU A 67 2.821 -14.087 7.247 1.00 0.00 C ATOM 956 OE1 GLU A 67 1.898 -14.108 8.088 1.00 0.00 O ATOM 957 OE2 GLU A 67 3.806 -14.852 7.292 1.00 0.00 O ATOM 0 H GLU A 67 1.642 -14.607 2.340 1.00 0.00 H new ATOM 0 HA GLU A 67 2.228 -11.982 3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.841 -13.266 5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.877 -14.668 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.743 -12.879 5.742 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.338 -12.147 6.489 1.00 0.00 H new ATOM 964 N PHE A 68 4.575 -12.501 2.878 1.00 0.00 N ATOM 965 CA PHE A 68 5.979 -12.763 2.567 1.00 0.00 C ATOM 966 C PHE A 68 6.874 -11.634 3.063 1.00 0.00 C ATOM 967 O PHE A 68 6.400 -10.559 3.418 1.00 0.00 O ATOM 968 CB PHE A 68 6.151 -12.926 1.064 1.00 0.00 C ATOM 969 CG PHE A 68 5.527 -11.800 0.313 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.200 -10.603 0.168 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.259 -11.926 -0.217 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.614 -9.547 -0.504 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.667 -10.877 -0.884 1.00 0.00 C ATOM 974 CZ PHE A 68 4.345 -9.686 -1.029 1.00 0.00 C ATOM 0 H PHE A 68 4.279 -11.538 2.716 1.00 0.00 H new ATOM 0 HA PHE A 68 6.273 -13.682 3.075 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.213 -12.980 0.823 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.703 -13.868 0.746 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.191 -10.491 0.583 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.725 -12.858 -0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.148 -8.615 -0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.673 -10.987 -1.293 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.884 -8.862 -1.553 1.00 0.00 H new ATOM 984 N THR A 69 8.174 -11.886 3.074 1.00 0.00 N ATOM 985 CA THR A 69 9.139 -10.892 3.518 1.00 0.00 C ATOM 986 C THR A 69 10.207 -10.674 2.458 1.00 0.00 C ATOM 987 O THR A 69 10.851 -11.627 2.018 1.00 0.00 O ATOM 988 CB THR A 69 9.785 -11.334 4.834 1.00 0.00 C ATOM 989 OG1 THR A 69 8.796 -11.562 5.823 1.00 0.00 O ATOM 990 CG2 THR A 69 10.767 -10.330 5.394 1.00 0.00 C ATOM 0 H THR A 69 8.585 -12.772 2.780 1.00 0.00 H new ATOM 0 HA THR A 69 8.615 -9.950 3.680 1.00 0.00 H new ATOM 0 HB THR A 69 10.328 -12.248 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.226 -11.845 6.657 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.185 -10.710 6.326 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.571 -10.168 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.255 -9.387 5.584 1.00 0.00 H new ATOM 998 N ILE A 70 10.399 -9.423 2.041 1.00 0.00 N ATOM 999 CA ILE A 70 11.402 -9.125 1.031 1.00 0.00 C ATOM 1000 C ILE A 70 12.242 -7.931 1.437 1.00 0.00 C ATOM 1001 O ILE A 70 11.896 -7.199 2.364 1.00 0.00 O ATOM 1002 CB ILE A 70 10.767 -8.855 -0.353 1.00 0.00 C ATOM 1003 CG1 ILE A 70 9.968 -7.547 -0.346 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.881 -10.021 -0.772 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.735 -7.589 0.529 1.00 0.00 C ATOM 0 H ILE A 70 9.880 -8.614 2.383 1.00 0.00 H new ATOM 0 HA ILE A 70 12.038 -10.007 0.952 1.00 0.00 H new ATOM 0 HB ILE A 70 11.573 -8.754 -1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.616 -6.739 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.670 -7.309 -1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.443 -9.813 -1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.479 -10.930 -0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.086 -10.156 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.223 -6.628 0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.066 -8.374 0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.027 -7.795 1.559 1.00 0.00 H new ATOM 1017 N ASP A 71 13.329 -7.723 0.720 1.00 0.00 N ATOM 1018 CA ASP A 71 14.202 -6.597 0.984 1.00 0.00 C ATOM 1019 C ASP A 71 13.800 -5.445 0.084 1.00 0.00 C ATOM 1020 O ASP A 71 13.306 -5.665 -1.019 1.00 0.00 O ATOM 1021 CB ASP A 71 15.663 -6.979 0.737 1.00 0.00 C ATOM 1022 CG ASP A 71 15.880 -7.574 -0.641 1.00 0.00 C ATOM 1023 OD1 ASP A 71 15.519 -8.753 -0.841 1.00 0.00 O ATOM 1024 OD2 ASP A 71 16.408 -6.861 -1.518 1.00 0.00 O ATOM 0 H ASP A 71 13.629 -8.320 -0.051 1.00 0.00 H new ATOM 0 HA ASP A 71 14.105 -6.300 2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.291 -6.095 0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.981 -7.696 1.494 1.00 0.00 H new ATOM 1029 N VAL A 72 14.014 -4.223 0.536 1.00 0.00 N ATOM 1030 CA VAL A 72 13.667 -3.059 -0.269 1.00 0.00 C ATOM 1031 C VAL A 72 14.655 -1.930 -0.046 1.00 0.00 C ATOM 1032 O VAL A 72 14.942 -1.556 1.089 1.00 0.00 O ATOM 1033 CB VAL A 72 12.248 -2.545 0.036 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.210 -3.347 -0.734 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.972 -2.586 1.530 1.00 0.00 C ATOM 0 H VAL A 72 14.422 -4.008 1.446 1.00 0.00 H new ATOM 0 HA VAL A 72 13.704 -3.383 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 72 12.181 -1.507 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.214 -2.968 -0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.397 -3.252 -1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.274 -4.396 -0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.964 -2.219 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.060 -3.612 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.694 -1.957 2.051 1.00 0.00 H new ATOM 1045 N THR A 73 15.159 -1.371 -1.134 1.00 0.00 N ATOM 1046 CA THR A 73 16.099 -0.266 -1.069 1.00 0.00 C ATOM 1047 C THR A 73 15.913 0.591 -2.311 1.00 0.00 C ATOM 1048 O THR A 73 16.006 0.094 -3.433 1.00 0.00 O ATOM 1049 CB THR A 73 17.539 -0.779 -0.984 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.775 -1.408 0.264 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.578 0.312 -1.152 1.00 0.00 C ATOM 0 H THR A 73 14.929 -1.669 -2.082 1.00 0.00 H new ATOM 0 HA THR A 73 15.909 0.325 -0.173 1.00 0.00 H new ATOM 0 HB THR A 73 17.641 -1.484 -1.809 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.700 -1.730 0.298 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.576 -0.121 -1.081 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.456 0.784 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.451 1.059 -0.369 1.00 0.00 H new ATOM 1059 N PHE A 74 15.619 1.865 -2.113 1.00 0.00 N ATOM 1060 CA PHE A 74 15.386 2.763 -3.232 1.00 0.00 C ATOM 1061 C PHE A 74 16.686 3.343 -3.786 1.00 0.00 C ATOM 1062 O PHE A 74 17.563 3.761 -3.028 1.00 0.00 O ATOM 1063 CB PHE A 74 14.430 3.869 -2.804 1.00 0.00 C ATOM 1064 CG PHE A 74 13.028 3.371 -2.601 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.758 2.360 -1.689 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.985 3.905 -3.330 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.464 1.899 -1.512 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.693 3.452 -3.159 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.432 2.447 -2.249 1.00 0.00 C ATOM 0 H PHE A 74 15.536 2.299 -1.194 1.00 0.00 H new ATOM 0 HA PHE A 74 14.935 2.189 -4.041 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.790 4.318 -1.878 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.427 4.655 -3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.564 1.929 -1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.183 4.690 -4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.262 1.113 -0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.888 3.883 -3.736 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.422 2.090 -2.113 1.00 0.00 H new ATOM 1079 N PRO A 75 16.824 3.375 -5.126 1.00 0.00 N ATOM 1080 CA PRO A 75 18.021 3.906 -5.788 1.00 0.00 C ATOM 1081 C PRO A 75 18.236 5.389 -5.511 1.00 0.00 C ATOM 1082 O PRO A 75 17.506 6.000 -4.729 1.00 0.00 O ATOM 1083 CB PRO A 75 17.748 3.685 -7.279 1.00 0.00 C ATOM 1084 CG PRO A 75 16.270 3.526 -7.386 1.00 0.00 C ATOM 1085 CD PRO A 75 15.827 2.896 -6.101 1.00 0.00 C ATOM 0 HA PRO A 75 18.923 3.412 -5.428 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.097 4.530 -7.873 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.267 2.800 -7.647 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.784 4.490 -7.535 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.006 2.900 -8.238 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.818 3.205 -5.829 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.820 1.808 -6.168 1.00 0.00 H new ATOM 1093 N GLU A 76 19.246 5.962 -6.156 1.00 0.00 N ATOM 1094 CA GLU A 76 19.563 7.373 -5.980 1.00 0.00 C ATOM 1095 C GLU A 76 18.598 8.266 -6.750 1.00 0.00 C ATOM 1096 O GLU A 76 18.493 9.461 -6.473 1.00 0.00 O ATOM 1097 CB GLU A 76 21.001 7.656 -6.419 1.00 0.00 C ATOM 1098 CG GLU A 76 21.580 8.931 -5.825 1.00 0.00 C ATOM 1099 CD GLU A 76 22.935 8.712 -5.180 1.00 0.00 C ATOM 1100 OE1 GLU A 76 23.122 7.659 -4.535 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.809 9.594 -5.319 1.00 0.00 O ATOM 0 H GLU A 76 19.859 5.470 -6.806 1.00 0.00 H new ATOM 0 HA GLU A 76 19.460 7.602 -4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.631 6.814 -6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.033 7.725 -7.506 1.00 0.00 H new ATOM 0 HG2 GLU A 76 21.672 9.683 -6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.888 9.328 -5.082 1.00 0.00 H new ATOM 1108 N GLU A 77 17.890 7.687 -7.711 1.00 0.00 N ATOM 1109 CA GLU A 77 16.935 8.449 -8.501 1.00 0.00 C ATOM 1110 C GLU A 77 15.587 8.492 -7.795 1.00 0.00 C ATOM 1111 O GLU A 77 14.903 9.515 -7.800 1.00 0.00 O ATOM 1112 CB GLU A 77 16.783 7.841 -9.900 1.00 0.00 C ATOM 1113 CG GLU A 77 16.589 6.332 -9.897 1.00 0.00 C ATOM 1114 CD GLU A 77 17.889 5.577 -10.092 1.00 0.00 C ATOM 1115 OE1 GLU A 77 18.908 5.988 -9.499 1.00 0.00 O ATOM 1116 OE2 GLU A 77 17.888 4.573 -10.836 1.00 0.00 O ATOM 0 H GLU A 77 17.959 6.700 -7.960 1.00 0.00 H new ATOM 0 HA GLU A 77 17.310 9.467 -8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.932 8.306 -10.397 1.00 0.00 H new ATOM 0 HB3 GLU A 77 17.668 8.083 -10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 77 16.135 6.030 -8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.891 6.057 -10.688 1.00 0.00 H new ATOM 1123 N TYR A 78 15.222 7.380 -7.169 1.00 0.00 N ATOM 1124 CA TYR A 78 13.966 7.296 -6.435 1.00 0.00 C ATOM 1125 C TYR A 78 14.083 8.014 -5.100 1.00 0.00 C ATOM 1126 O TYR A 78 14.142 7.378 -4.048 1.00 0.00 O ATOM 1127 CB TYR A 78 13.565 5.839 -6.211 1.00 0.00 C ATOM 1128 CG TYR A 78 12.075 5.638 -6.038 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.309 6.510 -5.265 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.431 4.567 -6.645 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.951 6.316 -5.107 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.073 4.370 -6.490 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.337 5.248 -5.723 1.00 0.00 C ATOM 1134 OH TYR A 78 7.983 5.051 -5.568 1.00 0.00 O ATOM 0 H TYR A 78 15.777 6.525 -7.155 1.00 0.00 H new ATOM 0 HA TYR A 78 13.193 7.781 -7.031 1.00 0.00 H new ATOM 0 HB2 TYR A 78 13.907 5.243 -7.057 1.00 0.00 H new ATOM 0 HB3 TYR A 78 14.079 5.462 -5.327 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.785 7.350 -4.782 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.002 3.877 -7.248 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.373 6.999 -4.503 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.589 3.531 -6.968 1.00 0.00 H new ATOM 0 HH TYR A 78 7.709 4.254 -6.069 1.00 0.00 H new ATOM 1144 N HIS A 79 14.130 9.336 -5.143 1.00 0.00 N ATOM 1145 CA HIS A 79 14.258 10.117 -3.923 1.00 0.00 C ATOM 1146 C HIS A 79 12.979 10.892 -3.619 1.00 0.00 C ATOM 1147 O HIS A 79 12.895 12.094 -3.866 1.00 0.00 O ATOM 1148 CB HIS A 79 15.447 11.068 -4.029 1.00 0.00 C ATOM 1149 CG HIS A 79 16.758 10.401 -3.744 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.931 11.096 -3.543 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.076 9.089 -3.620 1.00 0.00 C ATOM 1152 CE1 HIS A 79 18.914 10.243 -3.311 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.421 9.019 -3.351 1.00 0.00 N ATOM 0 H HIS A 79 14.082 9.886 -6.000 1.00 0.00 H new ATOM 0 HA HIS A 79 14.429 9.426 -3.098 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.474 11.497 -5.031 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.307 11.895 -3.332 1.00 0.00 H new ATOM 0 HD1 HIS A 79 18.026 12.111 -3.569 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.398 8.254 -3.715 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.945 10.503 -3.121 1.00 0.00 H new ATOM 1161 N ALA A 80 11.990 10.193 -3.065 1.00 0.00 N ATOM 1162 CA ALA A 80 10.719 10.810 -2.706 1.00 0.00 C ATOM 1163 C ALA A 80 10.819 11.497 -1.347 1.00 0.00 C ATOM 1164 O ALA A 80 11.440 10.980 -0.422 1.00 0.00 O ATOM 1165 CB ALA A 80 9.609 9.766 -2.698 1.00 0.00 C ATOM 0 H ALA A 80 12.047 9.196 -2.855 1.00 0.00 H new ATOM 0 HA ALA A 80 10.479 11.567 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.665 10.240 -2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.521 9.321 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.845 8.989 -1.971 1.00 0.00 H new ATOM 1171 N GLU A 81 10.207 12.667 -1.230 1.00 0.00 N ATOM 1172 CA GLU A 81 10.235 13.427 0.018 1.00 0.00 C ATOM 1173 C GLU A 81 9.836 12.571 1.225 1.00 0.00 C ATOM 1174 O GLU A 81 10.125 12.931 2.367 1.00 0.00 O ATOM 1175 CB GLU A 81 9.304 14.637 -0.084 1.00 0.00 C ATOM 1176 CG GLU A 81 9.419 15.594 1.092 1.00 0.00 C ATOM 1177 CD GLU A 81 8.213 16.501 1.223 1.00 0.00 C ATOM 1178 OE1 GLU A 81 7.237 16.098 1.891 1.00 0.00 O ATOM 1179 OE2 GLU A 81 8.245 17.615 0.660 1.00 0.00 O ATOM 0 H GLU A 81 9.684 13.113 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 81 11.262 13.760 0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.524 15.178 -1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.274 14.287 -0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.540 15.021 2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.316 16.202 0.975 1.00 0.00 H new ATOM 1186 N ASN A 82 9.157 11.453 0.980 1.00 0.00 N ATOM 1187 CA ASN A 82 8.712 10.586 2.070 1.00 0.00 C ATOM 1188 C ASN A 82 9.713 9.476 2.398 1.00 0.00 C ATOM 1189 O ASN A 82 9.973 9.205 3.571 1.00 0.00 O ATOM 1190 CB ASN A 82 7.348 9.969 1.740 1.00 0.00 C ATOM 1191 CG ASN A 82 7.268 9.444 0.322 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.786 10.130 -0.580 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.742 8.223 0.114 1.00 0.00 N ATOM 0 H ASN A 82 8.905 11.128 0.047 1.00 0.00 H new ATOM 0 HA ASN A 82 8.631 11.219 2.954 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.145 9.155 2.436 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.570 10.718 1.890 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.716 7.818 -0.822 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.133 7.689 0.890 1.00 0.00 H new ATOM 1200 N LEU A 83 10.251 8.809 1.378 1.00 0.00 N ATOM 1201 CA LEU A 83 11.189 7.709 1.620 1.00 0.00 C ATOM 1202 C LEU A 83 12.423 7.751 0.714 1.00 0.00 C ATOM 1203 O LEU A 83 13.133 6.764 0.581 1.00 0.00 O ATOM 1204 CB LEU A 83 10.451 6.365 1.483 1.00 0.00 C ATOM 1205 CG LEU A 83 10.356 5.740 0.076 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.287 6.780 -1.035 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.520 4.802 -0.161 1.00 0.00 C ATOM 0 H LEU A 83 10.060 9.004 0.395 1.00 0.00 H new ATOM 0 HA LEU A 83 11.566 7.823 2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.942 5.645 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.437 6.499 1.860 1.00 0.00 H new ATOM 0 HG LEU A 83 9.420 5.182 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.222 6.278 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.407 7.407 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.183 7.400 -1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.440 4.368 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.456 5.355 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.503 4.006 0.584 1.00 0.00 H new ATOM 1219 N LYS A 84 12.679 8.895 0.101 1.00 0.00 N ATOM 1220 CA LYS A 84 13.829 9.060 -0.793 1.00 0.00 C ATOM 1221 C LYS A 84 15.046 8.240 -0.350 1.00 0.00 C ATOM 1222 O LYS A 84 15.486 8.325 0.797 1.00 0.00 O ATOM 1223 CB LYS A 84 14.214 10.539 -0.893 1.00 0.00 C ATOM 1224 CG LYS A 84 14.617 11.161 0.434 1.00 0.00 C ATOM 1225 CD LYS A 84 15.802 12.098 0.272 1.00 0.00 C ATOM 1226 CE LYS A 84 15.848 13.136 1.382 1.00 0.00 C ATOM 1227 NZ LYS A 84 16.183 14.491 0.862 1.00 0.00 N ATOM 0 H LYS A 84 12.106 9.732 0.203 1.00 0.00 H new ATOM 0 HA LYS A 84 13.523 8.687 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 84 15.039 10.643 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.372 11.097 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.773 11.709 0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.869 10.374 1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.727 11.521 0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.741 12.599 -0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.883 13.170 1.888 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.588 12.840 2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.204 15.170 1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.115 14.465 0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.464 14.785 0.171 1.00 0.00 H new ATOM 1241 N GLY A 85 15.586 7.447 -1.280 1.00 0.00 N ATOM 1242 CA GLY A 85 16.751 6.621 -0.990 1.00 0.00 C ATOM 1243 C GLY A 85 16.646 5.885 0.332 1.00 0.00 C ATOM 1244 O GLY A 85 17.522 6.009 1.188 1.00 0.00 O ATOM 0 H GLY A 85 15.234 7.363 -2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.883 5.896 -1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.641 7.250 -0.979 1.00 0.00 H new ATOM 1248 N LYS A 86 15.570 5.125 0.503 1.00 0.00 N ATOM 1249 CA LYS A 86 15.355 4.376 1.738 1.00 0.00 C ATOM 1250 C LYS A 86 15.765 2.910 1.604 1.00 0.00 C ATOM 1251 O LYS A 86 14.975 2.074 1.165 1.00 0.00 O ATOM 1252 CB LYS A 86 13.891 4.462 2.165 1.00 0.00 C ATOM 1253 CG LYS A 86 13.667 4.209 3.645 1.00 0.00 C ATOM 1254 CD LYS A 86 13.496 2.726 3.937 1.00 0.00 C ATOM 1255 CE LYS A 86 12.293 2.147 3.208 1.00 0.00 C ATOM 1256 NZ LYS A 86 12.699 1.254 2.084 1.00 0.00 N ATOM 0 H LYS A 86 14.835 5.011 -0.195 1.00 0.00 H new ATOM 0 HA LYS A 86 15.988 4.831 2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.506 5.450 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.312 3.739 1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.512 4.598 4.214 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.782 4.751 3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 86 14.396 2.189 3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.378 2.577 5.010 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.677 1.587 3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.677 2.959 2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.322 1.628 1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.737 1.212 2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.322 0.299 2.246 1.00 0.00 H new ATOM 1270 N ALA A 87 16.987 2.599 2.018 1.00 0.00 N ATOM 1271 CA ALA A 87 17.480 1.227 1.979 1.00 0.00 C ATOM 1272 C ALA A 87 17.028 0.499 3.239 1.00 0.00 C ATOM 1273 O ALA A 87 17.614 0.678 4.305 1.00 0.00 O ATOM 1274 CB ALA A 87 18.997 1.207 1.863 1.00 0.00 C ATOM 0 H ALA A 87 17.655 3.277 2.384 1.00 0.00 H new ATOM 0 HA ALA A 87 17.072 0.721 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.346 0.175 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.299 1.717 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.434 1.715 2.722 1.00 0.00 H new ATOM 1280 N ALA A 88 15.954 -0.282 3.132 1.00 0.00 N ATOM 1281 CA ALA A 88 15.420 -0.970 4.302 1.00 0.00 C ATOM 1282 C ALA A 88 14.996 -2.415 4.037 1.00 0.00 C ATOM 1283 O ALA A 88 15.179 -2.959 2.950 1.00 0.00 O ATOM 1284 CB ALA A 88 14.238 -0.175 4.843 1.00 0.00 C ATOM 0 H ALA A 88 15.446 -0.451 2.264 1.00 0.00 H new ATOM 0 HA ALA A 88 16.228 -1.027 5.032 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.830 -0.680 5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.570 0.825 5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.468 -0.101 4.075 1.00 0.00 H new ATOM 1290 N LYS A 89 14.400 -3.001 5.070 1.00 0.00 N ATOM 1291 CA LYS A 89 13.887 -4.364 5.028 1.00 0.00 C ATOM 1292 C LYS A 89 12.399 -4.317 5.327 1.00 0.00 C ATOM 1293 O LYS A 89 11.982 -3.585 6.220 1.00 0.00 O ATOM 1294 CB LYS A 89 14.605 -5.248 6.051 1.00 0.00 C ATOM 1295 CG LYS A 89 15.357 -6.414 5.428 1.00 0.00 C ATOM 1296 CD LYS A 89 16.847 -6.131 5.339 1.00 0.00 C ATOM 1297 CE LYS A 89 17.129 -4.926 4.456 1.00 0.00 C ATOM 1298 NZ LYS A 89 18.579 -4.594 4.411 1.00 0.00 N ATOM 0 H LYS A 89 14.259 -2.538 5.968 1.00 0.00 H new ATOM 0 HA LYS A 89 14.062 -4.793 4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.306 -4.636 6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.874 -5.636 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 89 15.191 -7.314 6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 89 14.963 -6.612 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.246 -5.954 6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 89 17.362 -7.005 4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 89 16.771 -5.125 3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.572 -4.066 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 18.727 -3.767 3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.916 -4.378 5.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.109 -5.405 4.032 1.00 0.00 H new ATOM 1312 N PHE A 90 11.605 -5.111 4.619 1.00 0.00 N ATOM 1313 CA PHE A 90 10.160 -5.147 4.860 1.00 0.00 C ATOM 1314 C PHE A 90 9.625 -6.570 4.865 1.00 0.00 C ATOM 1315 O PHE A 90 10.142 -7.439 4.164 1.00 0.00 O ATOM 1316 CB PHE A 90 9.370 -4.421 3.764 1.00 0.00 C ATOM 1317 CG PHE A 90 9.598 -2.948 3.613 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.364 -2.222 4.505 1.00 0.00 C ATOM 1319 CD2 PHE A 90 9.003 -2.291 2.558 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.538 -0.862 4.341 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.167 -0.930 2.386 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.938 -0.214 3.280 1.00 0.00 C ATOM 0 H PHE A 90 11.929 -5.734 3.879 1.00 0.00 H new ATOM 0 HA PHE A 90 10.028 -4.663 5.828 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.600 -4.897 2.811 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.308 -4.580 3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.832 -2.724 5.339 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.400 -2.848 1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.143 -0.306 5.042 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.694 -0.428 1.555 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.071 0.850 3.150 1.00 0.00 H new ATOM 1332 N ALA A 91 8.539 -6.782 5.596 1.00 0.00 N ATOM 1333 CA ALA A 91 7.866 -8.066 5.630 1.00 0.00 C ATOM 1334 C ALA A 91 6.431 -7.762 5.234 1.00 0.00 C ATOM 1335 O ALA A 91 5.680 -7.139 5.982 1.00 0.00 O ATOM 1336 CB ALA A 91 7.944 -8.697 7.014 1.00 0.00 C ATOM 0 H ALA A 91 8.103 -6.068 6.180 1.00 0.00 H new ATOM 0 HA ALA A 91 8.328 -8.789 4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.430 -9.658 7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.989 -8.847 7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.469 -8.038 7.741 1.00 0.00 H new ATOM 1342 N ILE A 92 6.108 -8.100 3.994 1.00 0.00 N ATOM 1343 CA ILE A 92 4.818 -7.752 3.416 1.00 0.00 C ATOM 1344 C ILE A 92 3.791 -8.878 3.345 1.00 0.00 C ATOM 1345 O ILE A 92 4.108 -10.061 3.444 1.00 0.00 O ATOM 1346 CB ILE A 92 5.041 -7.216 1.987 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.203 -6.209 1.967 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.765 -6.615 1.432 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.271 -5.349 0.724 1.00 0.00 C ATOM 0 H ILE A 92 6.724 -8.617 3.367 1.00 0.00 H new ATOM 0 HA ILE A 92 4.397 -7.010 4.095 1.00 0.00 H new ATOM 0 HB ILE A 92 5.314 -8.049 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.118 -5.559 2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.141 -6.755 2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.946 -6.244 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.986 -7.377 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.443 -5.791 2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.120 -4.670 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.390 -5.986 -0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.351 -4.771 0.631 1.00 0.00 H new ATOM 1361 N ASN A 93 2.545 -8.456 3.128 1.00 0.00 N ATOM 1362 CA ASN A 93 1.409 -9.349 2.979 1.00 0.00 C ATOM 1363 C ASN A 93 0.566 -8.886 1.789 1.00 0.00 C ATOM 1364 O ASN A 93 -0.146 -7.885 1.882 1.00 0.00 O ATOM 1365 CB ASN A 93 0.550 -9.339 4.244 1.00 0.00 C ATOM 1366 CG ASN A 93 1.144 -10.154 5.374 1.00 0.00 C ATOM 1367 OD1 ASN A 93 0.587 -11.175 5.773 1.00 0.00 O ATOM 1368 ND2 ASN A 93 2.274 -9.699 5.904 1.00 0.00 N ATOM 0 H ASN A 93 2.299 -7.469 3.051 1.00 0.00 H new ATOM 0 HA ASN A 93 1.772 -10.363 2.812 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.417 -8.310 4.577 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.440 -9.727 4.006 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.715 -10.202 6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.701 -8.847 5.541 1.00 0.00 H new ATOM 1375 N LEU A 94 0.658 -9.597 0.669 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.090 -9.225 -0.534 1.00 0.00 C ATOM 1377 C LEU A 94 -1.590 -9.384 -0.330 1.00 0.00 C ATOM 1378 O LEU A 94 -2.029 -10.159 0.516 1.00 0.00 O ATOM 1379 CB LEU A 94 0.367 -10.063 -1.730 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.088 -9.550 -3.098 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.583 -8.222 -3.418 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.217 -10.576 -4.180 1.00 0.00 C ATOM 0 H LEU A 94 1.239 -10.429 0.566 1.00 0.00 H new ATOM 0 HA LEU A 94 0.114 -8.173 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.456 -10.114 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.000 -11.081 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.166 -9.393 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.248 -7.871 -4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.317 -7.487 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.665 -8.355 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.113 -10.195 -5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.290 -10.764 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.307 -11.505 -3.958 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.376 -8.645 -1.116 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.827 -8.716 -1.017 1.00 0.00 C ATOM 1396 C LYS A 95 -4.497 -8.421 -2.367 1.00 0.00 C ATOM 1397 O LYS A 95 -4.488 -9.260 -3.265 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.338 -7.764 0.073 1.00 0.00 C ATOM 1399 CG LYS A 95 -3.890 -8.149 1.474 1.00 0.00 C ATOM 1400 CD LYS A 95 -4.487 -7.224 2.524 1.00 0.00 C ATOM 1401 CE LYS A 95 -5.154 -8.008 3.645 1.00 0.00 C ATOM 1402 NZ LYS A 95 -6.633 -8.091 3.468 1.00 0.00 N ATOM 0 H LYS A 95 -2.030 -7.996 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.096 -9.735 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.991 -6.754 -0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.427 -7.741 0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.186 -9.177 1.682 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.802 -8.113 1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.704 -6.589 2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.217 -6.564 2.056 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.737 -9.014 3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.930 -7.535 4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.047 -8.633 4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.036 -7.132 3.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.849 -8.566 2.568 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.127 -7.255 -2.491 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.842 -6.915 -3.712 1.00 0.00 C ATOM 1418 C LYS A 96 -4.908 -6.550 -4.857 1.00 0.00 C ATOM 1419 O LYS A 96 -4.390 -5.435 -4.924 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.809 -5.758 -3.447 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.168 -6.208 -2.940 1.00 0.00 C ATOM 1422 CD LYS A 96 -8.079 -6.772 -1.532 1.00 0.00 C ATOM 1423 CE LYS A 96 -9.380 -7.437 -1.109 1.00 0.00 C ATOM 1424 NZ LYS A 96 -10.037 -6.710 0.012 1.00 0.00 N ATOM 0 H LYS A 96 -5.155 -6.538 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.395 -7.804 -4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.363 -5.082 -2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.943 -5.189 -4.367 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.859 -5.365 -2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.575 -6.964 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.266 -7.497 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.836 -5.971 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.059 -7.481 -1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.181 -8.465 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.920 -7.195 0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.400 -6.690 0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.251 -5.736 -0.284 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.731 -7.491 -5.781 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.902 -7.284 -6.960 1.00 0.00 C ATOM 1440 C VAL A 97 -4.786 -7.259 -8.208 1.00 0.00 C ATOM 1441 O VAL A 97 -5.304 -8.293 -8.626 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.840 -8.401 -7.098 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.468 -9.775 -6.892 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.138 -8.326 -8.449 1.00 0.00 C ATOM 0 H VAL A 97 -5.158 -8.416 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.384 -6.331 -6.853 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.091 -8.248 -6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.702 -10.544 -6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.906 -9.829 -5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.245 -9.936 -7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.397 -9.122 -8.519 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.871 -8.442 -9.247 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.643 -7.360 -8.549 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.971 -6.080 -8.792 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.812 -5.943 -9.980 1.00 0.00 C ATOM 1456 C GLU A 98 -5.039 -5.320 -11.143 1.00 0.00 C ATOM 1457 O GLU A 98 -3.817 -5.217 -11.093 1.00 0.00 O ATOM 1458 CB GLU A 98 -7.046 -5.104 -9.652 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.895 -5.684 -8.531 1.00 0.00 C ATOM 1460 CD GLU A 98 -7.354 -5.345 -7.156 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -7.016 -4.164 -6.927 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -7.269 -6.258 -6.310 1.00 0.00 O ATOM 0 H GLU A 98 -4.553 -5.209 -8.466 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.127 -6.940 -10.288 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.729 -4.099 -9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.659 -5.008 -10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.914 -5.307 -8.620 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.945 -6.767 -8.641 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.757 -4.916 -12.193 1.00 0.00 N ATOM 1470 CA GLU A 99 -5.122 -4.319 -13.369 1.00 0.00 C ATOM 1471 C GLU A 99 -5.536 -2.866 -13.563 1.00 0.00 C ATOM 1472 O GLU A 99 -6.476 -2.569 -14.298 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.456 -5.124 -14.623 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.650 -4.705 -15.843 1.00 0.00 C ATOM 1475 CD GLU A 99 -5.526 -4.312 -17.016 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -6.561 -3.650 -16.788 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -5.178 -4.664 -18.162 1.00 0.00 O ATOM 0 H GLU A 99 -6.772 -4.991 -12.253 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.045 -4.341 -13.200 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.278 -6.181 -14.425 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.518 -5.015 -14.843 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.007 -3.866 -15.578 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.997 -5.525 -16.141 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.805 -1.964 -12.921 1.00 0.00 N ATOM 1485 CA ARG A 100 -5.077 -0.538 -13.033 1.00 0.00 C ATOM 1486 C ARG A 100 -4.641 -0.004 -14.392 1.00 0.00 C ATOM 1487 O ARG A 100 -3.648 -0.460 -14.961 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.341 0.224 -11.933 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.827 0.126 -12.050 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.185 1.487 -12.278 1.00 0.00 C ATOM 1491 NE ARG A 100 -1.364 1.497 -13.487 1.00 0.00 N ATOM 1492 CZ ARG A 100 -0.360 2.344 -13.697 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -0.054 3.264 -12.793 1.00 0.00 N ATOM 1494 NH2 ARG A 100 0.341 2.269 -14.821 1.00 0.00 N ATOM 0 H ARG A 100 -4.017 -2.196 -12.316 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.152 -0.392 -12.926 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.635 1.273 -11.967 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.650 -0.163 -10.962 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.421 -0.319 -11.142 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.569 -0.539 -12.874 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.962 2.248 -12.358 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.570 1.749 -11.417 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.574 0.813 -14.214 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.590 3.327 -11.928 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.718 3.909 -12.963 1.00 0.00 H new ATOM 0 HH21 ARG A 100 0.109 1.564 -15.520 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.112 2.917 -14.986 1.00 0.00 H new