USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 725 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 21 TYR OH : rot 30:sc= 1.29 USER MOD Set 1.2: A 85 HIS : no HD1:sc= -1.47! C(o=-0.18!,f=-9.6!) USER MOD Single : A 18 SER OG : rot -170:sc= -2.33! USER MOD Single : A 19 CYS SG : rot -165:sc= -0.0888 USER MOD Single : A 20 CYS SG : rot -68:sc= 0.818 USER MOD Single : A 23 SER OG : rot 75:sc= -1.75! USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.44! USER MOD Single : A 40 THR OG1 : rot 79:sc= 0.726 USER MOD Single : A 41 SER OG : rot 77:sc= 1.11 USER MOD Single : A 42 GLN : amide:sc= -2.21! K(o=-2.2!,f=-0.28) USER MOD Single : A 44 HIS : no HD1:sc= 0.463 K(o=0.46,f=-4.7!) USER MOD Single : A 45 ASN : amide:sc= -0.32 K(o=-0.32,f=-2!) USER MOD Single : A 49 GLN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 51 THR OG1 : rot 119:sc= -1.46! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -2.23! C(o=-2.2!,f=-5.3!) USER MOD Single : A 68 HIS : no HD1:sc= -1.57 K(o=-1.6,f=-0.075) USER MOD Single : A 76 MET CE :methyl 143:sc= -2.86! (180deg=-6.4!) USER MOD Single : A 77 SER OG : rot 70:sc= 1.11 USER MOD Single : A 78 HIS : no HE2:sc= 0.87 K(o=0.87,f=-3.5!) USER MOD Single : A 80 GLN : amide:sc= -6.26! K(o=-6.3!,f=-1.5) USER MOD Single : A 86 SER OG : rot 180:sc= -1.86! USER MOD Single : A 87 ASN : amide:sc= -0.0783 X(o=-0.078,f=0.089) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 146:sc= 1.24 (180deg=0.323) USER MOD Single : A 105 HIS : no HD1:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 106 MET CE :methyl -149:sc= -0.0632 (180deg=-0.0882) USER MOD Single : A 107 GLN : amide:sc= 0.0437 X(o=0.044,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 6.370 18.808 -6.689 1.00 10.00 N ATOM 139 CA ASP A 15 6.904 18.407 -5.437 1.00 10.00 C ATOM 140 C ASP A 15 6.281 17.140 -4.970 1.00 10.00 C ATOM 141 O ASP A 15 5.953 16.975 -3.813 1.00 10.00 O ATOM 142 CB ASP A 15 6.713 19.521 -4.416 1.00 10.00 C ATOM 143 CG ASP A 15 5.248 19.919 -4.183 1.00 10.00 C ATOM 144 OD1 ASP A 15 4.576 20.360 -5.135 1.00 10.00 O ATOM 145 OD2 ASP A 15 4.763 19.842 -3.028 1.00 10.00 O ATOM 0 HA ASP A 15 7.971 18.219 -5.555 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.147 19.207 -3.467 1.00 10.00 H new ATOM 0 HB3 ASP A 15 7.268 20.399 -4.745 1.00 10.00 H new ATOM 150 N LEU A 16 6.172 16.246 -5.859 1.00 10.00 N ATOM 151 CA LEU A 16 5.634 14.982 -5.609 1.00 10.00 C ATOM 152 C LEU A 16 6.606 13.920 -5.964 1.00 10.00 C ATOM 153 O LEU A 16 7.492 14.109 -6.782 1.00 10.00 O ATOM 154 CB LEU A 16 4.315 14.776 -6.314 1.00 10.00 C ATOM 155 CG LEU A 16 3.193 15.766 -6.022 1.00 10.00 C ATOM 156 CD1 LEU A 16 2.963 16.030 -4.555 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.286 17.018 -6.841 1.00 10.00 C ATOM 0 H LEU A 16 6.469 16.381 -6.825 1.00 10.00 H new ATOM 0 HA LEU A 16 5.432 14.919 -4.540 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.503 14.789 -7.388 1.00 10.00 H new ATOM 0 HB3 LEU A 16 3.954 13.778 -6.066 1.00 10.00 H new ATOM 0 HG LEU A 16 2.286 15.259 -6.352 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.148 16.745 -4.437 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.703 15.098 -4.054 1.00 10.00 H new ATOM 0 HD13 LEU A 16 3.871 16.439 -4.112 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.459 17.681 -6.587 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.231 17.520 -6.633 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.235 16.765 -7.900 1.00 10.00 H new ATOM 169 N VAL A 17 6.413 12.809 -5.353 1.00 10.00 N ATOM 170 CA VAL A 17 7.220 11.683 -5.443 1.00 10.00 C ATOM 171 C VAL A 17 6.324 10.425 -5.253 1.00 10.00 C ATOM 172 O VAL A 17 5.272 10.496 -4.612 1.00 10.00 O ATOM 173 CB VAL A 17 8.349 11.728 -4.359 1.00 10.00 C ATOM 174 CG1 VAL A 17 8.964 10.403 -4.184 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.439 12.735 -4.693 1.00 10.00 C ATOM 0 H VAL A 17 5.617 12.669 -4.730 1.00 10.00 H new ATOM 0 HA VAL A 17 7.704 11.648 -6.419 1.00 10.00 H new ATOM 0 HB VAL A 17 7.866 12.040 -3.433 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.745 10.462 -3.426 1.00 10.00 H new ATOM 0 HG12 VAL A 17 8.204 9.688 -3.868 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.399 10.076 -5.128 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.196 12.725 -3.909 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.899 12.471 -5.645 1.00 10.00 H new ATOM 0 HG23 VAL A 17 9.004 13.732 -4.765 1.00 10.00 H new ATOM 185 N SER A 18 6.724 9.345 -5.852 1.00 10.00 N ATOM 186 CA SER A 18 6.077 8.066 -5.736 1.00 10.00 C ATOM 187 C SER A 18 7.058 7.011 -5.284 1.00 10.00 C ATOM 188 O SER A 18 8.083 6.769 -5.937 1.00 10.00 O ATOM 189 CB SER A 18 5.457 7.599 -7.060 1.00 10.00 C ATOM 190 OG SER A 18 4.333 8.363 -7.409 1.00 10.00 O ATOM 0 H SER A 18 7.543 9.326 -6.460 1.00 10.00 H new ATOM 0 HA SER A 18 5.283 8.196 -5.001 1.00 10.00 H new ATOM 0 HB2 SER A 18 6.202 7.665 -7.853 1.00 10.00 H new ATOM 0 HB3 SER A 18 5.172 6.550 -6.978 1.00 10.00 H new ATOM 0 HG SER A 18 3.874 7.943 -8.166 1.00 10.00 H new ATOM 196 N CYS A 19 6.784 6.428 -4.171 1.00 10.00 N ATOM 197 CA CYS A 19 7.501 5.275 -3.754 1.00 10.00 C ATOM 198 C CYS A 19 6.652 4.087 -4.147 1.00 10.00 C ATOM 199 O CYS A 19 5.508 3.969 -3.695 1.00 10.00 O ATOM 200 CB CYS A 19 7.780 5.309 -2.251 1.00 10.00 C ATOM 201 SG CYS A 19 8.905 6.639 -1.734 1.00 10.00 S ATOM 0 H CYS A 19 6.058 6.736 -3.524 1.00 10.00 H new ATOM 0 HA CYS A 19 8.480 5.221 -4.230 1.00 10.00 H new ATOM 0 HB2 CYS A 19 6.835 5.420 -1.720 1.00 10.00 H new ATOM 0 HB3 CYS A 19 8.204 4.351 -1.950 1.00 10.00 H new ATOM 0 HG CYS A 19 9.324 6.408 -0.525 1.00 10.00 H new ATOM 207 N CYS A 20 7.174 3.259 -5.007 1.00 10.00 N ATOM 208 CA CYS A 20 6.432 2.153 -5.550 1.00 10.00 C ATOM 209 C CYS A 20 6.993 0.915 -4.953 1.00 10.00 C ATOM 210 O CYS A 20 8.081 0.542 -5.301 1.00 10.00 O ATOM 211 CB CYS A 20 6.596 2.116 -7.082 1.00 10.00 C ATOM 212 SG CYS A 20 6.143 3.656 -7.934 1.00 10.00 S ATOM 0 H CYS A 20 8.131 3.331 -5.354 1.00 10.00 H new ATOM 0 HA CYS A 20 5.370 2.247 -5.322 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.634 1.879 -7.317 1.00 10.00 H new ATOM 0 HB3 CYS A 20 5.986 1.305 -7.479 1.00 10.00 H new ATOM 0 HG CYS A 20 4.860 3.842 -7.841 1.00 10.00 H new ATOM 218 N TYR A 21 6.283 0.282 -4.051 1.00 10.00 N ATOM 219 CA TYR A 21 6.866 -0.815 -3.357 1.00 10.00 C ATOM 220 C TYR A 21 6.083 -2.075 -3.525 1.00 10.00 C ATOM 221 O TYR A 21 4.883 -2.047 -3.857 1.00 10.00 O ATOM 222 CB TYR A 21 6.995 -0.492 -1.863 1.00 10.00 C ATOM 223 CG TYR A 21 5.816 -0.605 -0.930 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.356 -1.841 -0.450 1.00 10.00 C ATOM 225 CD2 TYR A 21 5.233 0.529 -0.445 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.354 -1.905 0.480 1.00 10.00 C ATOM 227 CE2 TYR A 21 4.236 0.463 0.461 1.00 10.00 C ATOM 228 CZ TYR A 21 3.804 -0.755 0.922 1.00 10.00 C ATOM 229 OH TYR A 21 2.855 -0.819 1.860 1.00 10.00 O ATOM 0 H TYR A 21 5.323 0.508 -3.792 1.00 10.00 H new ATOM 0 HA TYR A 21 7.853 -0.975 -3.791 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.777 -1.138 -1.465 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.360 0.532 -1.790 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.799 -2.754 -0.820 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.575 1.493 -0.791 1.00 10.00 H new ATOM 0 HE1 TYR A 21 4.010 -2.858 0.853 1.00 10.00 H new ATOM 0 HE2 TYR A 21 3.777 1.371 0.824 1.00 10.00 H new ATOM 0 HH TYR A 21 3.010 -1.602 2.429 1.00 10.00 H new ATOM 239 N ARG A 22 6.723 -3.172 -3.262 1.00 10.00 N ATOM 240 CA ARG A 22 6.025 -4.425 -3.239 1.00 10.00 C ATOM 241 C ARG A 22 6.330 -5.111 -1.935 1.00 10.00 C ATOM 242 O ARG A 22 7.268 -4.737 -1.226 1.00 10.00 O ATOM 243 CB ARG A 22 6.342 -5.351 -4.446 1.00 10.00 C ATOM 244 CG ARG A 22 7.428 -6.407 -4.239 1.00 10.00 C ATOM 245 CD ARG A 22 8.821 -5.835 -4.201 1.00 10.00 C ATOM 246 NE ARG A 22 9.784 -6.863 -3.798 1.00 10.00 N ATOM 247 CZ ARG A 22 10.619 -7.514 -4.625 1.00 10.00 C ATOM 248 NH1 ARG A 22 10.508 -7.381 -5.948 1.00 10.00 N ATOM 249 NH2 ARG A 22 11.545 -8.326 -4.118 1.00 10.00 N ATOM 0 H ARG A 22 7.721 -3.228 -3.061 1.00 10.00 H new ATOM 0 HA ARG A 22 4.960 -4.212 -3.327 1.00 10.00 H new ATOM 0 HB2 ARG A 22 5.423 -5.861 -4.733 1.00 10.00 H new ATOM 0 HB3 ARG A 22 6.635 -4.723 -5.288 1.00 10.00 H new ATOM 0 HG2 ARG A 22 7.236 -6.937 -3.306 1.00 10.00 H new ATOM 0 HG3 ARG A 22 7.367 -7.142 -5.042 1.00 10.00 H new ATOM 0 HD2 ARG A 22 9.087 -5.443 -5.183 1.00 10.00 H new ATOM 0 HD3 ARG A 22 8.859 -4.999 -3.503 1.00 10.00 H new ATOM 0 HE ARG A 22 9.824 -7.104 -2.808 1.00 10.00 H new ATOM 0 HH11 ARG A 22 9.784 -6.780 -6.341 1.00 10.00 H new ATOM 0 HH12 ARG A 22 11.148 -7.880 -6.566 1.00 10.00 H new ATOM 0 HH21 ARG A 22 11.617 -8.450 -3.108 1.00 10.00 H new ATOM 0 HH22 ARG A 22 12.182 -8.824 -4.740 1.00 10.00 H new ATOM 263 N SER A 23 5.539 -6.044 -1.571 1.00 10.00 N ATOM 264 CA SER A 23 5.802 -6.801 -0.404 1.00 10.00 C ATOM 265 C SER A 23 5.253 -8.184 -0.579 1.00 10.00 C ATOM 266 O SER A 23 4.517 -8.439 -1.503 1.00 10.00 O ATOM 267 CB SER A 23 5.167 -6.171 0.833 1.00 10.00 C ATOM 268 OG SER A 23 5.596 -4.857 1.024 1.00 10.00 O ATOM 0 H SER A 23 4.690 -6.308 -2.071 1.00 10.00 H new ATOM 0 HA SER A 23 6.882 -6.828 -0.258 1.00 10.00 H new ATOM 0 HB2 SER A 23 4.082 -6.188 0.733 1.00 10.00 H new ATOM 0 HB3 SER A 23 5.415 -6.766 1.712 1.00 10.00 H new ATOM 0 HG SER A 23 5.160 -4.272 0.370 1.00 10.00 H new ATOM 274 N LEU A 24 5.610 -9.055 0.284 1.00 10.00 N ATOM 275 CA LEU A 24 5.022 -10.383 0.283 1.00 10.00 C ATOM 276 C LEU A 24 4.200 -10.524 1.526 1.00 10.00 C ATOM 277 O LEU A 24 4.665 -11.059 2.461 1.00 10.00 O ATOM 278 CB LEU A 24 6.087 -11.518 0.178 1.00 10.00 C ATOM 279 CG LEU A 24 6.799 -11.742 -1.183 1.00 10.00 C ATOM 280 CD1 LEU A 24 5.796 -12.066 -2.267 1.00 10.00 C ATOM 281 CD2 LEU A 24 7.675 -10.562 -1.591 1.00 10.00 C ATOM 0 H LEU A 24 6.307 -8.895 1.012 1.00 10.00 H new ATOM 0 HA LEU A 24 4.397 -10.490 -0.604 1.00 10.00 H new ATOM 0 HB2 LEU A 24 6.855 -11.322 0.926 1.00 10.00 H new ATOM 0 HB3 LEU A 24 5.603 -12.454 0.457 1.00 10.00 H new ATOM 0 HG LEU A 24 7.464 -12.596 -1.052 1.00 10.00 H new ATOM 0 HD11 LEU A 24 6.318 -12.219 -3.212 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.253 -12.973 -2.001 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.093 -11.240 -2.371 1.00 10.00 H new ATOM 0 HD21 LEU A 24 8.148 -10.774 -2.550 1.00 10.00 H new ATOM 0 HD22 LEU A 24 7.060 -9.666 -1.680 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.444 -10.401 -0.835 1.00 10.00 H new ATOM 293 N ALA A 25 2.972 -9.988 1.493 1.00 10.00 N ATOM 294 CA ALA A 25 2.077 -9.857 2.669 1.00 10.00 C ATOM 295 C ALA A 25 2.110 -11.070 3.558 1.00 10.00 C ATOM 296 O ALA A 25 1.839 -12.171 3.094 1.00 10.00 O ATOM 297 CB ALA A 25 0.661 -9.610 2.217 1.00 10.00 C ATOM 0 H ALA A 25 2.558 -9.624 0.635 1.00 10.00 H new ATOM 0 HA ALA A 25 2.442 -9.010 3.250 1.00 10.00 H new ATOM 0 HB1 ALA A 25 0.012 -9.515 3.088 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.621 -8.691 1.633 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.324 -10.445 1.603 1.00 10.00 H new ATOM 303 N ALA A 26 2.442 -10.854 4.838 1.00 10.00 N ATOM 304 CA ALA A 26 2.574 -11.896 5.777 1.00 10.00 C ATOM 305 C ALA A 26 1.252 -12.608 5.940 1.00 10.00 C ATOM 306 O ALA A 26 0.273 -12.015 6.367 1.00 10.00 O ATOM 307 CB ALA A 26 3.004 -11.316 7.120 1.00 10.00 C ATOM 0 H ALA A 26 2.622 -9.926 5.222 1.00 10.00 H new ATOM 0 HA ALA A 26 3.324 -12.604 5.425 1.00 10.00 H new ATOM 0 HB1 ALA A 26 3.107 -12.121 7.848 1.00 10.00 H new ATOM 0 HB2 ALA A 26 3.960 -10.805 7.006 1.00 10.00 H new ATOM 0 HB3 ALA A 26 2.253 -10.607 7.467 1.00 10.00 H new ATOM 313 N PRO A 27 1.193 -13.885 5.611 1.00 10.00 N ATOM 314 CA PRO A 27 -0.009 -14.734 5.836 1.00 10.00 C ATOM 315 C PRO A 27 -0.313 -14.908 7.335 1.00 10.00 C ATOM 316 O PRO A 27 -1.282 -15.550 7.735 1.00 10.00 O ATOM 317 CB PRO A 27 0.422 -16.069 5.229 1.00 10.00 C ATOM 318 CG PRO A 27 1.907 -15.999 5.291 1.00 10.00 C ATOM 319 CD PRO A 27 2.247 -14.637 4.910 1.00 10.00 C ATOM 0 HA PRO A 27 -0.916 -14.311 5.403 1.00 10.00 H new ATOM 0 HB2 PRO A 27 0.034 -16.915 5.796 1.00 10.00 H new ATOM 0 HB3 PRO A 27 0.065 -16.181 4.205 1.00 10.00 H new ATOM 0 HG2 PRO A 27 2.269 -16.228 6.293 1.00 10.00 H new ATOM 0 HG3 PRO A 27 2.363 -16.722 4.614 1.00 10.00 H new ATOM 0 HD2 PRO A 27 3.246 -14.353 5.239 1.00 10.00 H new ATOM 0 HD3 PRO A 27 2.213 -14.489 3.831 1.00 10.00 H new ATOM 327 N ASP A 28 0.528 -14.318 8.129 1.00 10.00 N ATOM 328 CA ASP A 28 0.433 -14.359 9.568 1.00 10.00 C ATOM 329 C ASP A 28 -0.457 -13.216 10.067 1.00 10.00 C ATOM 330 O ASP A 28 -1.017 -13.275 11.172 1.00 10.00 O ATOM 331 CB ASP A 28 1.832 -14.265 10.187 1.00 10.00 C ATOM 332 CG ASP A 28 1.821 -14.464 11.684 1.00 10.00 C ATOM 333 OD1 ASP A 28 1.544 -15.607 12.134 1.00 10.00 O ATOM 334 OD2 ASP A 28 2.081 -13.499 12.438 1.00 10.00 O ATOM 0 H ASP A 28 1.324 -13.778 7.790 1.00 10.00 H new ATOM 0 HA ASP A 28 -0.017 -15.304 9.871 1.00 10.00 H new ATOM 0 HB2 ASP A 28 2.478 -15.014 9.730 1.00 10.00 H new ATOM 0 HB3 ASP A 28 2.262 -13.290 9.957 1.00 10.00 H new ATOM 339 N LEU A 29 -0.632 -12.210 9.220 1.00 10.00 N ATOM 340 CA LEU A 29 -1.422 -11.024 9.542 1.00 10.00 C ATOM 341 C LEU A 29 -2.881 -11.376 9.686 1.00 10.00 C ATOM 342 O LEU A 29 -3.345 -12.419 9.196 1.00 10.00 O ATOM 343 CB LEU A 29 -1.276 -9.979 8.434 1.00 10.00 C ATOM 344 CG LEU A 29 0.138 -9.494 8.161 1.00 10.00 C ATOM 345 CD1 LEU A 29 0.194 -8.691 6.868 1.00 10.00 C ATOM 346 CD2 LEU A 29 0.663 -8.678 9.332 1.00 10.00 C ATOM 0 H LEU A 29 -0.228 -12.192 8.284 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.054 -10.621 10.486 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.681 -10.396 7.512 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -1.892 -9.117 8.691 1.00 10.00 H new ATOM 0 HG LEU A 29 0.781 -10.366 8.043 1.00 10.00 H new ATOM 0 HD11 LEU A 29 1.216 -8.354 6.693 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.129 -9.317 6.036 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -0.465 -7.826 6.948 1.00 10.00 H new ATOM 0 HD21 LEU A 29 1.677 -8.341 9.115 1.00 10.00 H new ATOM 0 HD22 LEU A 29 0.019 -7.813 9.490 1.00 10.00 H new ATOM 0 HD23 LEU A 29 0.670 -9.294 10.231 1.00 10.00 H new ATOM 358 N THR A 30 -3.588 -10.546 10.366 1.00 10.00 N ATOM 359 CA THR A 30 -4.979 -10.703 10.517 1.00 10.00 C ATOM 360 C THR A 30 -5.685 -9.980 9.431 1.00 10.00 C ATOM 361 O THR A 30 -5.161 -9.029 8.886 1.00 10.00 O ATOM 362 CB THR A 30 -5.434 -10.116 11.835 1.00 10.00 C ATOM 363 OG1 THR A 30 -4.797 -8.859 12.063 1.00 10.00 O ATOM 364 CG2 THR A 30 -5.163 -11.041 12.951 1.00 10.00 C ATOM 0 H THR A 30 -3.204 -9.727 10.838 1.00 10.00 H new ATOM 0 HA THR A 30 -5.207 -11.768 10.483 1.00 10.00 H new ATOM 0 HB THR A 30 -6.512 -9.960 11.783 1.00 10.00 H new ATOM 0 HG1 THR A 30 -5.101 -8.489 12.918 1.00 10.00 H new ATOM 0 HG21 THR A 30 -5.500 -10.593 13.885 1.00 10.00 H new ATOM 0 HG22 THR A 30 -5.695 -11.977 12.785 1.00 10.00 H new ATOM 0 HG23 THR A 30 -4.092 -11.238 13.009 1.00 10.00 H new ATOM 372 N LEU A 31 -6.872 -10.410 9.129 1.00 10.00 N ATOM 373 CA LEU A 31 -7.731 -9.699 8.215 1.00 10.00 C ATOM 374 C LEU A 31 -8.002 -8.361 8.808 1.00 10.00 C ATOM 375 O LEU A 31 -8.057 -7.370 8.102 1.00 10.00 O ATOM 376 CB LEU A 31 -9.022 -10.409 8.118 1.00 10.00 C ATOM 377 CG LEU A 31 -10.094 -9.817 7.206 1.00 10.00 C ATOM 378 CD1 LEU A 31 -9.706 -9.899 5.743 1.00 10.00 C ATOM 379 CD2 LEU A 31 -11.426 -10.483 7.463 1.00 10.00 C ATOM 0 H LEU A 31 -7.279 -11.265 9.507 1.00 10.00 H new ATOM 0 HA LEU A 31 -7.263 -9.623 7.233 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -8.820 -11.426 7.781 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -9.440 -10.483 9.122 1.00 10.00 H new ATOM 0 HG LEU A 31 -10.186 -8.757 7.444 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -10.498 -9.466 5.132 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -8.780 -9.347 5.581 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -9.561 -10.942 5.463 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -12.181 -10.051 6.806 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -11.342 -11.552 7.267 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -11.717 -10.327 8.502 1.00 10.00 H new ATOM 391 N ARG A 32 -8.105 -8.310 10.139 1.00 10.00 N ATOM 392 CA ARG A 32 -8.386 -7.051 10.758 1.00 10.00 C ATOM 393 C ARG A 32 -7.219 -6.108 10.575 1.00 10.00 C ATOM 394 O ARG A 32 -7.402 -4.917 10.552 1.00 10.00 O ATOM 395 CB ARG A 32 -8.779 -7.170 12.223 1.00 10.00 C ATOM 396 CG ARG A 32 -9.287 -5.849 12.804 1.00 10.00 C ATOM 397 CD ARG A 32 -10.506 -5.332 12.024 1.00 10.00 C ATOM 398 NE ARG A 32 -11.579 -6.327 11.955 1.00 10.00 N ATOM 399 CZ ARG A 32 -12.552 -6.337 11.027 1.00 10.00 C ATOM 400 NH1 ARG A 32 -12.706 -5.314 10.187 1.00 10.00 N ATOM 401 NH2 ARG A 32 -13.391 -7.349 10.966 1.00 10.00 N ATOM 0 H ARG A 32 -8.000 -9.103 10.772 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.261 -6.639 10.254 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -9.553 -7.930 12.327 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -7.919 -7.510 12.800 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -9.554 -5.988 13.852 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -8.491 -5.105 12.774 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -10.882 -4.426 12.499 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -10.200 -5.059 11.014 1.00 10.00 H new ATOM 0 HE ARG A 32 -11.589 -7.064 12.660 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -12.081 -4.510 10.243 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -13.449 -5.335 9.488 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -13.303 -8.125 11.622 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -14.129 -7.358 10.262 1.00 10.00 H new ATOM 415 N ASP A 33 -6.034 -6.660 10.387 1.00 10.00 N ATOM 416 CA ASP A 33 -4.873 -5.857 10.122 1.00 10.00 C ATOM 417 C ASP A 33 -5.043 -5.211 8.751 1.00 10.00 C ATOM 418 O ASP A 33 -4.876 -4.011 8.629 1.00 10.00 O ATOM 419 CB ASP A 33 -3.578 -6.682 10.166 1.00 10.00 C ATOM 420 CG ASP A 33 -2.342 -5.827 10.369 1.00 10.00 C ATOM 421 OD1 ASP A 33 -2.044 -4.987 9.525 1.00 10.00 O ATOM 422 OD2 ASP A 33 -1.687 -5.958 11.449 1.00 10.00 O ATOM 0 H ASP A 33 -5.859 -7.664 10.415 1.00 10.00 H new ATOM 0 HA ASP A 33 -4.786 -5.096 10.898 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -3.645 -7.412 10.972 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -3.478 -7.242 9.236 1.00 10.00 H new ATOM 427 N LEU A 34 -5.524 -5.991 7.733 1.00 10.00 N ATOM 428 CA LEU A 34 -5.664 -5.403 6.355 1.00 10.00 C ATOM 429 C LEU A 34 -6.782 -4.398 6.343 1.00 10.00 C ATOM 430 O LEU A 34 -6.717 -3.346 5.693 1.00 10.00 O ATOM 431 CB LEU A 34 -5.934 -6.447 5.231 1.00 10.00 C ATOM 432 CG LEU A 34 -4.849 -7.492 4.895 1.00 10.00 C ATOM 433 CD1 LEU A 34 -3.500 -6.864 4.593 1.00 10.00 C ATOM 434 CD2 LEU A 34 -4.728 -8.488 5.982 1.00 10.00 C ATOM 0 H LEU A 34 -5.806 -6.967 7.825 1.00 10.00 H new ATOM 0 HA LEU A 34 -4.700 -4.944 6.137 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -6.840 -6.990 5.499 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -6.152 -5.895 4.317 1.00 10.00 H new ATOM 0 HG LEU A 34 -5.172 -7.996 3.984 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -2.777 -7.647 4.364 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -3.593 -6.195 3.738 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.160 -6.298 5.460 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -3.958 -9.215 5.725 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -4.456 -7.984 6.909 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -5.681 -9.000 6.114 1.00 10.00 H new ATOM 446 N LEU A 35 -7.785 -4.715 7.084 1.00 10.00 N ATOM 447 CA LEU A 35 -8.976 -3.891 7.193 1.00 10.00 C ATOM 448 C LEU A 35 -8.706 -2.657 8.043 1.00 10.00 C ATOM 449 O LEU A 35 -9.404 -1.665 7.951 1.00 10.00 O ATOM 450 CB LEU A 35 -10.147 -4.728 7.743 1.00 10.00 C ATOM 451 CG LEU A 35 -10.851 -5.708 6.761 1.00 10.00 C ATOM 452 CD1 LEU A 35 -11.830 -4.956 5.878 1.00 10.00 C ATOM 453 CD2 LEU A 35 -9.843 -6.415 5.865 1.00 10.00 C ATOM 0 H LEU A 35 -7.819 -5.564 7.648 1.00 10.00 H new ATOM 0 HA LEU A 35 -9.256 -3.537 6.201 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -9.778 -5.307 8.590 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -10.899 -4.041 8.130 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.377 -6.448 7.364 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -12.315 -5.654 5.196 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.584 -4.473 6.500 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -11.295 -4.200 5.303 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -10.368 -7.092 5.191 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.294 -5.676 5.282 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -9.145 -6.983 6.480 1.00 10.00 H new ATOM 465 N ASP A 36 -7.724 -2.748 8.890 1.00 10.00 N ATOM 466 CA ASP A 36 -7.270 -1.581 9.678 1.00 10.00 C ATOM 467 C ASP A 36 -6.326 -0.721 8.826 1.00 10.00 C ATOM 468 O ASP A 36 -6.276 0.510 8.958 1.00 10.00 O ATOM 469 CB ASP A 36 -6.583 -2.003 10.980 1.00 10.00 C ATOM 470 CG ASP A 36 -6.271 -0.835 11.893 1.00 10.00 C ATOM 471 OD1 ASP A 36 -7.158 -0.435 12.679 1.00 10.00 O ATOM 472 OD2 ASP A 36 -5.136 -0.323 11.864 1.00 10.00 O ATOM 0 H ASP A 36 -7.205 -3.607 9.071 1.00 10.00 H new ATOM 0 HA ASP A 36 -8.148 -0.996 9.953 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -7.223 -2.709 11.509 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -5.658 -2.528 10.742 1.00 10.00 H new ATOM 477 N ILE A 37 -5.581 -1.391 7.947 1.00 10.00 N ATOM 478 CA ILE A 37 -4.693 -0.748 6.971 1.00 10.00 C ATOM 479 C ILE A 37 -5.465 0.243 6.131 1.00 10.00 C ATOM 480 O ILE A 37 -5.066 1.410 6.019 1.00 10.00 O ATOM 481 CB ILE A 37 -4.012 -1.809 6.044 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.912 -2.531 6.796 1.00 10.00 C ATOM 483 CG2 ILE A 37 -3.444 -1.175 4.760 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.544 -3.870 6.202 1.00 10.00 C ATOM 0 H ILE A 37 -5.575 -2.409 7.890 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.915 -0.222 7.524 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.780 -2.523 5.747 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -2.025 -1.898 6.819 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -3.227 -2.677 7.829 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.981 -1.948 4.147 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -4.251 -0.702 4.200 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.698 -0.425 5.024 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.751 -4.325 6.795 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -3.418 -4.521 6.204 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -2.198 -3.731 5.178 1.00 10.00 H new ATOM 496 N VAL A 38 -6.580 -0.214 5.564 1.00 10.00 N ATOM 497 CA VAL A 38 -7.419 0.648 4.732 1.00 10.00 C ATOM 498 C VAL A 38 -7.896 1.899 5.515 1.00 10.00 C ATOM 499 O VAL A 38 -7.800 3.020 5.010 1.00 10.00 O ATOM 500 CB VAL A 38 -8.612 -0.122 4.031 1.00 10.00 C ATOM 501 CG1 VAL A 38 -9.543 -0.780 5.018 1.00 10.00 C ATOM 502 CG2 VAL A 38 -9.391 0.779 3.078 1.00 10.00 C ATOM 0 H VAL A 38 -6.922 -1.170 5.664 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.788 0.997 3.915 1.00 10.00 H new ATOM 0 HB VAL A 38 -8.148 -0.916 3.446 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -10.341 -1.292 4.480 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.987 -1.502 5.617 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -9.975 -0.022 5.672 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -10.200 0.210 2.619 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -9.808 1.620 3.632 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -8.723 1.151 2.301 1.00 10.00 H new ATOM 512 N GLU A 39 -8.312 1.689 6.766 1.00 10.00 N ATOM 513 CA GLU A 39 -8.763 2.761 7.659 1.00 10.00 C ATOM 514 C GLU A 39 -7.655 3.802 7.839 1.00 10.00 C ATOM 515 O GLU A 39 -7.830 4.988 7.526 1.00 10.00 O ATOM 516 CB GLU A 39 -9.097 2.173 9.039 1.00 10.00 C ATOM 517 CG GLU A 39 -10.188 1.119 9.045 1.00 10.00 C ATOM 518 CD GLU A 39 -11.569 1.682 8.864 1.00 10.00 C ATOM 519 OE1 GLU A 39 -11.912 2.146 7.756 1.00 10.00 O ATOM 520 OE2 GLU A 39 -12.350 1.667 9.836 1.00 10.00 O ATOM 0 H GLU A 39 -8.346 0.763 7.192 1.00 10.00 H new ATOM 0 HA GLU A 39 -9.643 3.230 7.219 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -8.191 1.737 9.460 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -9.396 2.986 9.700 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -9.991 0.400 8.250 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -10.148 0.572 9.987 1.00 10.00 H new ATOM 527 N THR A 40 -6.515 3.324 8.294 1.00 10.00 N ATOM 528 CA THR A 40 -5.374 4.153 8.617 1.00 10.00 C ATOM 529 C THR A 40 -4.799 4.885 7.382 1.00 10.00 C ATOM 530 O THR A 40 -4.518 6.089 7.438 1.00 10.00 O ATOM 531 CB THR A 40 -4.275 3.293 9.279 1.00 10.00 C ATOM 532 OG1 THR A 40 -4.846 2.567 10.392 1.00 10.00 O ATOM 533 CG2 THR A 40 -3.134 4.165 9.794 1.00 10.00 C ATOM 0 H THR A 40 -6.353 2.329 8.452 1.00 10.00 H new ATOM 0 HA THR A 40 -5.719 4.920 9.310 1.00 10.00 H new ATOM 0 HB THR A 40 -3.881 2.604 8.532 1.00 10.00 H new ATOM 0 HG1 THR A 40 -5.338 1.789 10.057 1.00 10.00 H new ATOM 0 HG21 THR A 40 -2.374 3.535 10.255 1.00 10.00 H new ATOM 0 HG22 THR A 40 -2.693 4.716 8.963 1.00 10.00 H new ATOM 0 HG23 THR A 40 -3.519 4.869 10.532 1.00 10.00 H new ATOM 541 N SER A 41 -4.669 4.171 6.276 1.00 10.00 N ATOM 542 CA SER A 41 -4.054 4.719 5.078 1.00 10.00 C ATOM 543 C SER A 41 -4.775 5.954 4.541 1.00 10.00 C ATOM 544 O SER A 41 -4.137 6.928 4.252 1.00 10.00 O ATOM 545 CB SER A 41 -3.911 3.655 4.003 1.00 10.00 C ATOM 546 OG SER A 41 -3.113 2.584 4.470 1.00 10.00 O ATOM 0 H SER A 41 -4.983 3.205 6.183 1.00 10.00 H new ATOM 0 HA SER A 41 -3.058 5.053 5.370 1.00 10.00 H new ATOM 0 HB2 SER A 41 -4.895 3.285 3.716 1.00 10.00 H new ATOM 0 HB3 SER A 41 -3.461 4.089 3.110 1.00 10.00 H new ATOM 0 HG SER A 41 -3.643 2.018 5.069 1.00 10.00 H new ATOM 552 N GLN A 42 -6.099 5.915 4.453 1.00 10.00 N ATOM 553 CA GLN A 42 -6.880 7.062 3.938 1.00 10.00 C ATOM 554 C GLN A 42 -6.711 8.258 4.816 1.00 10.00 C ATOM 555 O GLN A 42 -6.449 9.353 4.349 1.00 10.00 O ATOM 556 CB GLN A 42 -8.336 6.714 3.904 1.00 10.00 C ATOM 557 CG GLN A 42 -8.637 5.635 2.939 1.00 10.00 C ATOM 558 CD GLN A 42 -9.899 4.899 3.235 1.00 10.00 C ATOM 559 OE1 GLN A 42 -10.569 4.407 2.333 1.00 10.00 O ATOM 560 NE2 GLN A 42 -10.228 4.780 4.483 1.00 10.00 N ATOM 0 H GLN A 42 -6.664 5.111 4.727 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.516 7.289 2.936 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.656 6.407 4.900 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.913 7.602 3.643 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.703 6.063 1.939 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.808 4.927 2.929 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.646 5.203 5.206 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -11.069 4.263 4.742 1.00 10.00 H new ATOM 569 N ALA A 43 -6.819 8.015 6.089 1.00 10.00 N ATOM 570 CA ALA A 43 -6.750 9.041 7.092 1.00 10.00 C ATOM 571 C ALA A 43 -5.382 9.727 7.110 1.00 10.00 C ATOM 572 O ALA A 43 -5.278 10.937 7.297 1.00 10.00 O ATOM 573 CB ALA A 43 -7.101 8.419 8.425 1.00 10.00 C ATOM 0 H ALA A 43 -6.961 7.079 6.469 1.00 10.00 H new ATOM 0 HA ALA A 43 -7.466 9.831 6.865 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -7.056 9.179 9.205 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -8.109 8.006 8.380 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -6.392 7.623 8.653 1.00 10.00 H new ATOM 579 N HIS A 44 -4.354 8.961 6.868 1.00 10.00 N ATOM 580 CA HIS A 44 -3.007 9.492 6.825 1.00 10.00 C ATOM 581 C HIS A 44 -2.720 10.084 5.428 1.00 10.00 C ATOM 582 O HIS A 44 -2.006 11.065 5.308 1.00 10.00 O ATOM 583 CB HIS A 44 -2.028 8.384 7.160 1.00 10.00 C ATOM 584 CG HIS A 44 -0.585 8.786 7.336 1.00 10.00 C ATOM 585 ND1 HIS A 44 0.436 7.869 7.291 1.00 10.00 N ATOM 586 CD2 HIS A 44 0.004 9.983 7.564 1.00 10.00 C ATOM 587 CE1 HIS A 44 1.577 8.481 7.482 1.00 10.00 C ATOM 588 NE2 HIS A 44 1.351 9.754 7.647 1.00 10.00 N ATOM 0 H HIS A 44 -4.418 7.958 6.695 1.00 10.00 H new ATOM 0 HA HIS A 44 -2.897 10.292 7.557 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -2.361 7.902 8.079 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -2.079 7.635 6.370 1.00 10.00 H new ATOM 0 HD2 HIS A 44 -0.494 10.937 7.662 1.00 10.00 H new ATOM 0 HE1 HIS A 44 2.548 8.008 7.500 1.00 10.00 H new ATOM 0 HE2 HIS A 44 2.063 10.465 7.812 1.00 10.00 H new ATOM 597 N ASN A 45 -3.293 9.488 4.389 1.00 10.00 N ATOM 598 CA ASN A 45 -3.147 9.990 3.005 1.00 10.00 C ATOM 599 C ASN A 45 -3.787 11.325 2.845 1.00 10.00 C ATOM 600 O ASN A 45 -3.205 12.217 2.250 1.00 10.00 O ATOM 601 CB ASN A 45 -3.720 9.029 1.957 1.00 10.00 C ATOM 602 CG ASN A 45 -2.769 7.930 1.578 1.00 10.00 C ATOM 603 OD1 ASN A 45 -1.570 8.111 1.558 1.00 10.00 O ATOM 604 ND2 ASN A 45 -3.290 6.771 1.298 1.00 10.00 N ATOM 0 H ASN A 45 -3.869 8.650 4.468 1.00 10.00 H new ATOM 0 HA ASN A 45 -2.074 10.073 2.833 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -4.639 8.588 2.342 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -3.987 9.593 1.064 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -2.686 5.986 1.054 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -4.302 6.647 1.323 1.00 10.00 H new ATOM 611 N ALA A 46 -4.990 11.460 3.383 1.00 10.00 N ATOM 612 CA ALA A 46 -5.706 12.717 3.370 1.00 10.00 C ATOM 613 C ALA A 46 -4.862 13.764 4.049 1.00 10.00 C ATOM 614 O ALA A 46 -4.673 14.860 3.533 1.00 10.00 O ATOM 615 CB ALA A 46 -7.035 12.577 4.094 1.00 10.00 C ATOM 0 H ALA A 46 -5.493 10.699 3.839 1.00 10.00 H new ATOM 0 HA ALA A 46 -5.905 13.010 2.339 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -7.562 13.531 4.076 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.641 11.818 3.599 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -6.857 12.281 5.128 1.00 10.00 H new ATOM 621 N ARG A 47 -4.316 13.386 5.182 1.00 10.00 N ATOM 622 CA ARG A 47 -3.461 14.253 5.968 1.00 10.00 C ATOM 623 C ARG A 47 -2.227 14.649 5.205 1.00 10.00 C ATOM 624 O ARG A 47 -1.916 15.836 5.077 1.00 10.00 O ATOM 625 CB ARG A 47 -3.040 13.552 7.245 1.00 10.00 C ATOM 626 CG ARG A 47 -2.222 14.399 8.210 1.00 10.00 C ATOM 627 CD ARG A 47 -3.010 15.570 8.764 1.00 10.00 C ATOM 628 NE ARG A 47 -2.194 16.372 9.686 1.00 10.00 N ATOM 629 CZ ARG A 47 -2.648 17.007 10.780 1.00 10.00 C ATOM 630 NH1 ARG A 47 -3.939 16.929 11.113 1.00 10.00 N ATOM 631 NH2 ARG A 47 -1.806 17.702 11.548 1.00 10.00 N ATOM 0 H ARG A 47 -4.452 12.461 5.589 1.00 10.00 H new ATOM 0 HA ARG A 47 -4.033 15.151 6.202 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -3.935 13.204 7.761 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -2.460 12.668 6.981 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -1.877 13.775 9.034 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -1.334 14.772 7.699 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -3.359 16.197 7.944 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -3.895 15.203 9.283 1.00 10.00 H new ATOM 0 HE ARG A 47 -1.199 16.454 9.478 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -4.582 16.387 10.537 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -4.281 17.412 11.944 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -0.817 17.752 11.305 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -2.152 18.183 12.378 1.00 10.00 H new ATOM 645 N ALA A 48 -1.527 13.671 4.699 1.00 10.00 N ATOM 646 CA ALA A 48 -0.294 13.951 4.061 1.00 10.00 C ATOM 647 C ALA A 48 -0.447 14.482 2.627 1.00 10.00 C ATOM 648 O ALA A 48 0.548 14.836 1.999 1.00 10.00 O ATOM 649 CB ALA A 48 0.650 12.784 4.150 1.00 10.00 C ATOM 0 H ALA A 48 -1.795 12.687 4.721 1.00 10.00 H new ATOM 0 HA ALA A 48 0.155 14.775 4.616 1.00 10.00 H new ATOM 0 HB1 ALA A 48 1.586 13.034 3.650 1.00 10.00 H new ATOM 0 HB2 ALA A 48 0.848 12.555 5.197 1.00 10.00 H new ATOM 0 HB3 ALA A 48 0.202 11.916 3.667 1.00 10.00 H new ATOM 655 N GLN A 49 -1.714 14.566 2.134 1.00 10.00 N ATOM 656 CA GLN A 49 -2.059 15.137 0.789 1.00 10.00 C ATOM 657 C GLN A 49 -1.614 14.186 -0.320 1.00 10.00 C ATOM 658 O GLN A 49 -1.262 14.590 -1.451 1.00 10.00 O ATOM 659 CB GLN A 49 -1.428 16.523 0.645 1.00 10.00 C ATOM 660 CG GLN A 49 -1.814 17.421 1.764 1.00 10.00 C ATOM 661 CD GLN A 49 -0.656 18.257 2.253 1.00 10.00 C ATOM 662 OE1 GLN A 49 -0.420 19.377 1.785 1.00 10.00 O ATOM 663 NE2 GLN A 49 0.079 17.707 3.196 1.00 10.00 N ATOM 0 H GLN A 49 -2.529 14.241 2.654 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.140 15.249 0.702 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.343 16.427 0.613 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -1.737 16.967 -0.301 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.621 18.077 1.438 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.202 16.824 2.589 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -0.156 16.780 3.550 1.00 10.00 H new ATOM 0 HE22 GLN A 49 0.884 18.208 3.573 1.00 10.00 H new ATOM 672 N LEU A 50 -1.674 12.934 0.022 1.00 10.00 N ATOM 673 CA LEU A 50 -1.300 11.819 -0.833 1.00 10.00 C ATOM 674 C LEU A 50 -2.458 11.228 -1.654 1.00 10.00 C ATOM 675 O LEU A 50 -3.636 11.402 -1.324 1.00 10.00 O ATOM 676 CB LEU A 50 -0.667 10.738 0.020 1.00 10.00 C ATOM 677 CG LEU A 50 0.840 10.830 0.225 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.291 12.176 0.708 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.335 9.755 1.143 1.00 10.00 C ATOM 0 H LEU A 50 -1.998 12.636 0.942 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.596 12.212 -1.566 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -1.146 10.752 0.999 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.892 9.772 -0.431 1.00 10.00 H new ATOM 0 HG LEU A 50 1.281 10.683 -0.761 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.374 12.174 0.833 1.00 10.00 H new ATOM 0 HD12 LEU A 50 1.012 12.937 -0.021 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.816 12.398 1.663 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.414 9.851 1.267 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.848 9.853 2.113 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.104 8.778 0.718 1.00 10.00 H new ATOM 691 N THR A 51 -2.072 10.552 -2.738 1.00 10.00 N ATOM 692 CA THR A 51 -2.922 9.850 -3.691 1.00 10.00 C ATOM 693 C THR A 51 -2.279 8.478 -3.951 1.00 10.00 C ATOM 694 O THR A 51 -1.063 8.358 -3.870 1.00 10.00 O ATOM 695 CB THR A 51 -3.047 10.717 -4.956 1.00 10.00 C ATOM 696 OG1 THR A 51 -1.779 11.115 -5.442 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.837 11.928 -4.577 1.00 10.00 C ATOM 0 H THR A 51 -1.086 10.478 -2.987 1.00 10.00 H new ATOM 0 HA THR A 51 -3.933 9.682 -3.320 1.00 10.00 H new ATOM 0 HB THR A 51 -3.532 10.146 -5.748 1.00 10.00 H new ATOM 0 HG1 THR A 51 -1.650 10.763 -6.347 1.00 10.00 H new ATOM 0 HG21 THR A 51 -3.951 12.575 -5.447 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.821 11.624 -4.219 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.316 12.470 -3.788 1.00 10.00 H new ATOM 705 N GLY A 52 -3.060 7.436 -4.165 1.00 10.00 N ATOM 706 CA GLY A 52 -2.471 6.112 -4.131 1.00 10.00 C ATOM 707 C GLY A 52 -3.327 5.014 -4.663 1.00 10.00 C ATOM 708 O GLY A 52 -4.446 5.234 -5.107 1.00 10.00 O ATOM 0 H GLY A 52 -4.061 7.474 -4.356 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.542 6.132 -4.700 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.208 5.877 -3.100 1.00 10.00 H new ATOM 712 N ALA A 53 -2.759 3.842 -4.673 1.00 10.00 N ATOM 713 CA ALA A 53 -3.462 2.608 -4.981 1.00 10.00 C ATOM 714 C ALA A 53 -2.600 1.432 -4.569 1.00 10.00 C ATOM 715 O ALA A 53 -1.378 1.510 -4.656 1.00 10.00 O ATOM 716 CB ALA A 53 -3.847 2.513 -6.459 1.00 10.00 C ATOM 0 H ALA A 53 -1.770 3.704 -4.463 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.396 2.595 -4.419 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.370 1.574 -6.639 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.499 3.347 -6.719 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -2.947 2.551 -7.073 1.00 10.00 H new ATOM 722 N LEU A 54 -3.204 0.402 -4.039 1.00 10.00 N ATOM 723 CA LEU A 54 -2.476 -0.798 -3.753 1.00 10.00 C ATOM 724 C LEU A 54 -3.225 -1.973 -4.310 1.00 10.00 C ATOM 725 O LEU A 54 -4.461 -1.958 -4.393 1.00 10.00 O ATOM 726 CB LEU A 54 -2.135 -0.984 -2.225 1.00 10.00 C ATOM 727 CG LEU A 54 -3.237 -1.412 -1.211 1.00 10.00 C ATOM 728 CD1 LEU A 54 -3.557 -2.911 -1.303 1.00 10.00 C ATOM 729 CD2 LEU A 54 -2.814 -1.067 0.203 1.00 10.00 C ATOM 0 H LEU A 54 -4.195 0.373 -3.798 1.00 10.00 H new ATOM 0 HA LEU A 54 -1.505 -0.720 -4.242 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -1.337 -1.723 -2.162 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -1.723 -0.039 -1.871 1.00 10.00 H new ATOM 0 HG LEU A 54 -4.142 -0.861 -1.469 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -4.331 -3.163 -0.578 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -3.910 -3.147 -2.307 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -2.658 -3.489 -1.090 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -3.594 -1.372 0.901 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -1.888 -1.589 0.443 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -2.656 0.008 0.283 1.00 10.00 H new ATOM 741 N PHE A 55 -2.494 -2.958 -4.689 1.00 10.00 N ATOM 742 CA PHE A 55 -3.021 -4.179 -5.174 1.00 10.00 C ATOM 743 C PHE A 55 -2.478 -5.271 -4.306 1.00 10.00 C ATOM 744 O PHE A 55 -1.313 -5.232 -3.902 1.00 10.00 O ATOM 745 CB PHE A 55 -2.644 -4.411 -6.646 1.00 10.00 C ATOM 746 CG PHE A 55 -3.198 -3.367 -7.577 1.00 10.00 C ATOM 747 CD1 PHE A 55 -4.493 -3.470 -8.060 1.00 10.00 C ATOM 748 CD2 PHE A 55 -2.430 -2.279 -7.963 1.00 10.00 C ATOM 749 CE1 PHE A 55 -5.009 -2.510 -8.909 1.00 10.00 C ATOM 750 CE2 PHE A 55 -2.942 -1.318 -8.811 1.00 10.00 C ATOM 751 CZ PHE A 55 -4.233 -1.434 -9.284 1.00 10.00 C ATOM 0 H PHE A 55 -1.474 -2.934 -4.669 1.00 10.00 H new ATOM 0 HA PHE A 55 -4.110 -4.159 -5.135 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.558 -4.428 -6.737 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -3.005 -5.392 -6.956 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -5.106 -4.310 -7.769 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -1.419 -2.182 -7.596 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -6.020 -2.602 -9.279 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -2.333 -0.476 -9.104 1.00 10.00 H new ATOM 0 HZ PHE A 55 -4.635 -0.683 -9.947 1.00 10.00 H new ATOM 761 N TYR A 56 -3.299 -6.197 -3.983 1.00 10.00 N ATOM 762 CA TYR A 56 -2.918 -7.276 -3.142 1.00 10.00 C ATOM 763 C TYR A 56 -3.556 -8.528 -3.715 1.00 10.00 C ATOM 764 O TYR A 56 -4.773 -8.719 -3.634 1.00 10.00 O ATOM 765 CB TYR A 56 -3.388 -6.987 -1.684 1.00 10.00 C ATOM 766 CG TYR A 56 -3.114 -8.073 -0.643 1.00 10.00 C ATOM 767 CD1 TYR A 56 -2.323 -9.185 -0.919 1.00 10.00 C ATOM 768 CD2 TYR A 56 -3.696 -7.988 0.607 1.00 10.00 C ATOM 769 CE1 TYR A 56 -2.121 -10.169 0.019 1.00 10.00 C ATOM 770 CE2 TYR A 56 -3.505 -8.976 1.550 1.00 10.00 C ATOM 771 CZ TYR A 56 -2.718 -10.062 1.252 1.00 10.00 C ATOM 772 OH TYR A 56 -2.538 -11.056 2.192 1.00 10.00 O ATOM 0 H TYR A 56 -4.269 -6.232 -4.297 1.00 10.00 H new ATOM 0 HA TYR A 56 -1.837 -7.407 -3.104 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -2.909 -6.067 -1.349 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.461 -6.799 -1.704 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -1.859 -9.276 -1.890 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -4.311 -7.134 0.850 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -1.498 -11.020 -0.211 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -3.973 -8.896 2.520 1.00 10.00 H new ATOM 0 HH TYR A 56 -3.027 -10.825 3.010 1.00 10.00 H new ATOM 782 N SER A 57 -2.759 -9.338 -4.318 1.00 10.00 N ATOM 783 CA SER A 57 -3.240 -10.525 -4.935 1.00 10.00 C ATOM 784 C SER A 57 -2.590 -11.760 -4.344 1.00 10.00 C ATOM 785 O SER A 57 -1.371 -11.984 -4.510 1.00 10.00 O ATOM 786 CB SER A 57 -3.058 -10.426 -6.447 1.00 10.00 C ATOM 787 OG SER A 57 -1.765 -9.922 -6.779 1.00 10.00 O ATOM 0 H SER A 57 -1.752 -9.196 -4.398 1.00 10.00 H new ATOM 0 HA SER A 57 -4.306 -10.627 -4.734 1.00 10.00 H new ATOM 0 HB2 SER A 57 -3.195 -11.409 -6.898 1.00 10.00 H new ATOM 0 HB3 SER A 57 -3.824 -9.774 -6.866 1.00 10.00 H new ATOM 0 HG SER A 57 -1.674 -9.870 -7.753 1.00 10.00 H new ATOM 793 N GLN A 58 -3.405 -12.524 -3.611 1.00 10.00 N ATOM 794 CA GLN A 58 -3.023 -13.777 -2.953 1.00 10.00 C ATOM 795 C GLN A 58 -2.019 -13.531 -1.814 1.00 10.00 C ATOM 796 O GLN A 58 -2.374 -13.558 -0.640 1.00 10.00 O ATOM 797 CB GLN A 58 -2.469 -14.795 -3.972 1.00 10.00 C ATOM 798 CG GLN A 58 -2.229 -16.185 -3.420 1.00 10.00 C ATOM 799 CD GLN A 58 -1.486 -17.055 -4.402 1.00 10.00 C ATOM 800 OE1 GLN A 58 -2.087 -17.708 -5.245 1.00 10.00 O ATOM 801 NE2 GLN A 58 -0.187 -17.108 -4.275 1.00 10.00 N ATOM 0 H GLN A 58 -4.383 -12.279 -3.454 1.00 10.00 H new ATOM 0 HA GLN A 58 -3.924 -14.203 -2.511 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -3.166 -14.867 -4.807 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -1.530 -14.412 -4.372 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -1.660 -16.115 -2.493 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -3.184 -16.649 -3.174 1.00 10.00 H new ATOM 0 HE21 GLN A 58 0.279 -16.549 -3.560 1.00 10.00 H new ATOM 0 HE22 GLN A 58 0.362 -17.708 -4.891 1.00 10.00 H new ATOM 810 N GLY A 59 -0.790 -13.266 -2.169 1.00 10.00 N ATOM 811 CA GLY A 59 0.236 -13.044 -1.185 1.00 10.00 C ATOM 812 C GLY A 59 1.151 -11.892 -1.537 1.00 10.00 C ATOM 813 O GLY A 59 1.939 -11.448 -0.714 1.00 10.00 O ATOM 0 H GLY A 59 -0.474 -13.198 -3.136 1.00 10.00 H new ATOM 0 HA2 GLY A 59 -0.230 -12.849 -0.219 1.00 10.00 H new ATOM 0 HA3 GLY A 59 0.829 -13.952 -1.075 1.00 10.00 H new ATOM 817 N VAL A 60 1.044 -11.372 -2.739 1.00 10.00 N ATOM 818 CA VAL A 60 1.931 -10.316 -3.130 1.00 10.00 C ATOM 819 C VAL A 60 1.285 -8.962 -2.907 1.00 10.00 C ATOM 820 O VAL A 60 0.152 -8.708 -3.344 1.00 10.00 O ATOM 821 CB VAL A 60 2.470 -10.458 -4.597 1.00 10.00 C ATOM 822 CG1 VAL A 60 3.219 -11.767 -4.768 1.00 10.00 C ATOM 823 CG2 VAL A 60 1.368 -10.344 -5.642 1.00 10.00 C ATOM 0 H VAL A 60 0.366 -11.659 -3.444 1.00 10.00 H new ATOM 0 HA VAL A 60 2.807 -10.398 -2.487 1.00 10.00 H new ATOM 0 HB VAL A 60 3.155 -9.626 -4.759 1.00 10.00 H new ATOM 0 HG11 VAL A 60 3.584 -11.846 -5.792 1.00 10.00 H new ATOM 0 HG12 VAL A 60 4.063 -11.796 -4.078 1.00 10.00 H new ATOM 0 HG13 VAL A 60 2.549 -12.600 -4.557 1.00 10.00 H new ATOM 0 HG21 VAL A 60 1.799 -10.450 -6.638 1.00 10.00 H new ATOM 0 HG22 VAL A 60 0.630 -11.130 -5.480 1.00 10.00 H new ATOM 0 HG23 VAL A 60 0.885 -9.370 -5.557 1.00 10.00 H new ATOM 833 N PHE A 61 1.948 -8.151 -2.137 1.00 10.00 N ATOM 834 CA PHE A 61 1.522 -6.798 -1.916 1.00 10.00 C ATOM 835 C PHE A 61 2.168 -5.875 -2.935 1.00 10.00 C ATOM 836 O PHE A 61 3.344 -6.034 -3.243 1.00 10.00 O ATOM 837 CB PHE A 61 2.029 -6.353 -0.584 1.00 10.00 C ATOM 838 CG PHE A 61 1.025 -6.054 0.445 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.186 -5.462 0.131 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.310 -6.337 1.754 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.080 -5.168 1.118 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.434 -6.038 2.742 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.762 -5.452 2.426 1.00 10.00 C ATOM 0 H PHE A 61 2.802 -8.408 -1.642 1.00 10.00 H new ATOM 0 HA PHE A 61 0.435 -6.760 -1.985 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.690 -7.128 -0.197 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.637 -5.461 -0.734 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.423 -5.233 -0.897 1.00 10.00 H new ATOM 0 HD2 PHE A 61 2.250 -6.807 2.003 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -2.030 -4.716 0.875 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.677 -6.260 3.771 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.463 -5.210 3.211 1.00 10.00 H new ATOM 853 N PHE A 62 1.423 -4.941 -3.449 1.00 10.00 N ATOM 854 CA PHE A 62 1.986 -3.879 -4.246 1.00 10.00 C ATOM 855 C PHE A 62 1.282 -2.590 -3.901 1.00 10.00 C ATOM 856 O PHE A 62 0.094 -2.473 -4.094 1.00 10.00 O ATOM 857 CB PHE A 62 1.914 -4.148 -5.760 1.00 10.00 C ATOM 858 CG PHE A 62 2.535 -3.038 -6.592 1.00 10.00 C ATOM 859 CD1 PHE A 62 3.906 -2.983 -6.784 1.00 10.00 C ATOM 860 CD2 PHE A 62 1.744 -2.041 -7.159 1.00 10.00 C ATOM 861 CE1 PHE A 62 4.479 -1.961 -7.524 1.00 10.00 C ATOM 862 CE2 PHE A 62 2.314 -1.021 -7.902 1.00 10.00 C ATOM 863 CZ PHE A 62 3.682 -0.981 -8.082 1.00 10.00 C ATOM 0 H PHE A 62 0.411 -4.889 -3.331 1.00 10.00 H new ATOM 0 HA PHE A 62 3.048 -3.812 -4.008 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.422 -5.087 -5.981 1.00 10.00 H new ATOM 0 HB3 PHE A 62 0.871 -4.273 -6.052 1.00 10.00 H new ATOM 0 HD1 PHE A 62 4.536 -3.746 -6.352 1.00 10.00 H new ATOM 0 HD2 PHE A 62 0.674 -2.064 -7.017 1.00 10.00 H new ATOM 0 HE1 PHE A 62 5.549 -1.931 -7.664 1.00 10.00 H new ATOM 0 HE2 PHE A 62 1.689 -0.257 -8.340 1.00 10.00 H new ATOM 0 HZ PHE A 62 4.128 -0.184 -8.658 1.00 10.00 H new ATOM 873 N GLN A 63 2.012 -1.649 -3.402 1.00 10.00 N ATOM 874 CA GLN A 63 1.473 -0.368 -2.993 1.00 10.00 C ATOM 875 C GLN A 63 2.408 0.701 -3.434 1.00 10.00 C ATOM 876 O GLN A 63 3.615 0.604 -3.208 1.00 10.00 O ATOM 877 CB GLN A 63 1.341 -0.308 -1.453 1.00 10.00 C ATOM 878 CG GLN A 63 1.135 1.108 -0.838 1.00 10.00 C ATOM 879 CD GLN A 63 -0.239 1.721 -1.037 1.00 10.00 C ATOM 880 OE1 GLN A 63 -1.130 1.535 -0.238 1.00 10.00 O ATOM 881 NE2 GLN A 63 -0.408 2.496 -2.052 1.00 10.00 N ATOM 0 H GLN A 63 3.018 -1.737 -3.259 1.00 10.00 H new ATOM 0 HA GLN A 63 0.489 -0.232 -3.441 1.00 10.00 H new ATOM 0 HB2 GLN A 63 0.502 -0.937 -1.156 1.00 10.00 H new ATOM 0 HB3 GLN A 63 2.238 -0.745 -1.014 1.00 10.00 H new ATOM 0 HG2 GLN A 63 1.335 1.051 0.232 1.00 10.00 H new ATOM 0 HG3 GLN A 63 1.878 1.781 -1.266 1.00 10.00 H new ATOM 0 HE21 GLN A 63 0.353 2.641 -2.715 1.00 10.00 H new ATOM 0 HE22 GLN A 63 -1.303 2.964 -2.193 1.00 10.00 H new ATOM 890 N TRP A 64 1.899 1.687 -4.085 1.00 10.00 N ATOM 891 CA TRP A 64 2.708 2.803 -4.372 1.00 10.00 C ATOM 892 C TRP A 64 1.905 4.035 -4.054 1.00 10.00 C ATOM 893 O TRP A 64 0.666 4.000 -4.113 1.00 10.00 O ATOM 894 CB TRP A 64 3.223 2.793 -5.815 1.00 10.00 C ATOM 895 CG TRP A 64 2.401 3.421 -6.857 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.732 4.548 -7.520 1.00 10.00 C ATOM 897 CD2 TRP A 64 1.150 3.000 -7.374 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.794 4.851 -8.426 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.792 3.927 -8.358 1.00 10.00 C ATOM 900 CE3 TRP A 64 0.295 1.938 -7.108 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.378 3.825 -9.076 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -0.875 1.842 -7.818 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.202 2.782 -8.791 1.00 10.00 C ATOM 0 H TRP A 64 0.938 1.738 -4.422 1.00 10.00 H new ATOM 0 HA TRP A 64 3.608 2.780 -3.758 1.00 10.00 H new ATOM 0 HB2 TRP A 64 4.197 3.281 -5.822 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.385 1.754 -6.102 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.628 5.125 -7.345 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.824 5.646 -9.065 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.546 1.203 -6.358 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -0.632 4.547 -9.838 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.552 1.025 -7.619 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.131 2.680 -9.332 1.00 10.00 H new ATOM 914 N LEU A 65 2.555 5.073 -3.692 1.00 10.00 N ATOM 915 CA LEU A 65 1.873 6.258 -3.268 1.00 10.00 C ATOM 916 C LEU A 65 2.447 7.480 -3.912 1.00 10.00 C ATOM 917 O LEU A 65 3.662 7.581 -4.098 1.00 10.00 O ATOM 918 CB LEU A 65 1.894 6.403 -1.736 1.00 10.00 C ATOM 919 CG LEU A 65 3.266 6.321 -1.061 1.00 10.00 C ATOM 920 CD1 LEU A 65 3.209 7.000 0.272 1.00 10.00 C ATOM 921 CD2 LEU A 65 3.715 4.872 -0.854 1.00 10.00 C ATOM 0 H LEU A 65 3.573 5.138 -3.677 1.00 10.00 H new ATOM 0 HA LEU A 65 0.835 6.159 -3.587 1.00 10.00 H new ATOM 0 HB2 LEU A 65 1.443 7.361 -1.478 1.00 10.00 H new ATOM 0 HB3 LEU A 65 1.258 5.627 -1.311 1.00 10.00 H new ATOM 0 HG LEU A 65 3.984 6.813 -1.717 1.00 10.00 H new ATOM 0 HD11 LEU A 65 4.186 6.941 0.752 1.00 10.00 H new ATOM 0 HD12 LEU A 65 2.934 8.046 0.136 1.00 10.00 H new ATOM 0 HD13 LEU A 65 2.466 6.508 0.900 1.00 10.00 H new ATOM 0 HD21 LEU A 65 4.693 4.859 -0.373 1.00 10.00 H new ATOM 0 HD22 LEU A 65 2.993 4.354 -0.223 1.00 10.00 H new ATOM 0 HD23 LEU A 65 3.779 4.370 -1.819 1.00 10.00 H new ATOM 933 N GLU A 66 1.583 8.383 -4.268 1.00 10.00 N ATOM 934 CA GLU A 66 1.962 9.634 -4.824 1.00 10.00 C ATOM 935 C GLU A 66 1.797 10.674 -3.726 1.00 10.00 C ATOM 936 O GLU A 66 0.718 10.800 -3.145 1.00 10.00 O ATOM 937 CB GLU A 66 1.002 10.043 -5.924 1.00 10.00 C ATOM 938 CG GLU A 66 0.706 9.064 -7.043 1.00 10.00 C ATOM 939 CD GLU A 66 -0.223 9.717 -8.059 1.00 10.00 C ATOM 940 OE1 GLU A 66 -1.452 9.814 -7.804 1.00 10.00 O ATOM 941 OE2 GLU A 66 0.256 10.206 -9.081 1.00 10.00 O ATOM 0 H GLU A 66 0.575 8.261 -4.175 1.00 10.00 H new ATOM 0 HA GLU A 66 2.977 9.561 -5.214 1.00 10.00 H new ATOM 0 HB2 GLU A 66 0.053 10.301 -5.453 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.391 10.954 -6.378 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.633 8.758 -7.527 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.244 8.163 -6.639 1.00 10.00 H new ATOM 948 N GLY A 67 2.823 11.393 -3.429 1.00 10.00 N ATOM 949 CA GLY A 67 2.719 12.411 -2.430 1.00 10.00 C ATOM 950 C GLY A 67 3.933 13.302 -2.462 1.00 10.00 C ATOM 951 O GLY A 67 4.826 13.051 -3.235 1.00 10.00 O ATOM 0 H GLY A 67 3.743 11.300 -3.859 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.820 13.004 -2.598 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.621 11.955 -1.445 1.00 10.00 H new ATOM 955 N HIS A 68 3.957 14.344 -1.659 1.00 10.00 N ATOM 956 CA HIS A 68 5.149 15.207 -1.551 1.00 10.00 C ATOM 957 C HIS A 68 6.262 14.410 -0.841 1.00 10.00 C ATOM 958 O HIS A 68 6.001 13.854 0.184 1.00 10.00 O ATOM 959 CB HIS A 68 4.786 16.486 -0.765 1.00 10.00 C ATOM 960 CG HIS A 68 5.922 17.324 -0.375 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.541 17.228 0.843 1.00 10.00 N ATOM 962 CD2 HIS A 68 6.548 18.239 -1.044 1.00 10.00 C ATOM 963 CE1 HIS A 68 7.529 18.064 0.894 1.00 10.00 C ATOM 964 NE2 HIS A 68 7.567 18.707 -0.253 1.00 10.00 N ATOM 0 H HIS A 68 3.176 14.626 -1.067 1.00 10.00 H new ATOM 0 HA HIS A 68 5.502 15.508 -2.537 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.105 17.084 -1.371 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.242 16.198 0.135 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.311 18.573 -2.043 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.200 18.207 1.728 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.239 19.430 -0.510 1.00 10.00 H new ATOM 973 N PRO A 69 7.525 14.384 -1.384 1.00 10.00 N ATOM 974 CA PRO A 69 8.661 13.528 -0.915 1.00 10.00 C ATOM 975 C PRO A 69 8.715 13.214 0.576 1.00 10.00 C ATOM 976 O PRO A 69 8.747 12.043 0.961 1.00 10.00 O ATOM 977 CB PRO A 69 9.910 14.304 -1.353 1.00 10.00 C ATOM 978 CG PRO A 69 9.404 15.497 -2.108 1.00 10.00 C ATOM 979 CD PRO A 69 7.985 15.201 -2.495 1.00 10.00 C ATOM 0 HA PRO A 69 8.557 12.533 -1.348 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.503 14.609 -0.491 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.553 13.688 -1.981 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.456 16.394 -1.491 1.00 10.00 H new ATOM 0 HG3 PRO A 69 10.014 15.681 -2.992 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.395 16.111 -2.602 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.925 14.668 -3.444 1.00 10.00 H new ATOM 987 N ALA A 70 8.699 14.222 1.404 1.00 10.00 N ATOM 988 CA ALA A 70 8.808 13.996 2.840 1.00 10.00 C ATOM 989 C ALA A 70 7.582 13.382 3.448 1.00 10.00 C ATOM 990 O ALA A 70 7.661 12.714 4.469 1.00 10.00 O ATOM 991 CB ALA A 70 9.206 15.230 3.560 1.00 10.00 C ATOM 0 H ALA A 70 8.613 15.200 1.126 1.00 10.00 H new ATOM 0 HA ALA A 70 9.603 13.260 2.960 1.00 10.00 H new ATOM 0 HB1 ALA A 70 9.277 15.022 4.628 1.00 10.00 H new ATOM 0 HB2 ALA A 70 10.174 15.570 3.192 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.460 16.007 3.391 1.00 10.00 H new ATOM 997 N ALA A 71 6.480 13.585 2.831 1.00 10.00 N ATOM 998 CA ALA A 71 5.255 12.987 3.274 1.00 10.00 C ATOM 999 C ALA A 71 5.349 11.518 3.023 1.00 10.00 C ATOM 1000 O ALA A 71 5.050 10.705 3.878 1.00 10.00 O ATOM 1001 CB ALA A 71 4.128 13.519 2.476 1.00 10.00 C ATOM 0 H ALA A 71 6.389 14.170 2.001 1.00 10.00 H new ATOM 0 HA ALA A 71 5.093 13.202 4.330 1.00 10.00 H new ATOM 0 HB1 ALA A 71 3.197 13.064 2.813 1.00 10.00 H new ATOM 0 HB2 ALA A 71 4.071 14.600 2.603 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.286 13.285 1.423 1.00 10.00 H new ATOM 1007 N VAL A 72 5.834 11.212 1.838 1.00 10.00 N ATOM 1008 CA VAL A 72 6.017 9.862 1.373 1.00 10.00 C ATOM 1009 C VAL A 72 6.999 9.185 2.287 1.00 10.00 C ATOM 1010 O VAL A 72 6.825 8.049 2.638 1.00 10.00 O ATOM 1011 CB VAL A 72 6.614 9.829 -0.059 1.00 10.00 C ATOM 1012 CG1 VAL A 72 6.271 8.576 -0.755 1.00 10.00 C ATOM 1013 CG2 VAL A 72 6.192 10.990 -0.883 1.00 10.00 C ATOM 0 H VAL A 72 6.118 11.917 1.157 1.00 10.00 H new ATOM 0 HA VAL A 72 5.047 9.366 1.364 1.00 10.00 H new ATOM 0 HB VAL A 72 7.695 9.885 0.066 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.704 8.585 -1.755 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.667 7.729 -0.195 1.00 10.00 H new ATOM 0 HG13 VAL A 72 5.187 8.486 -0.830 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.639 10.915 -1.874 1.00 10.00 H new ATOM 0 HG22 VAL A 72 5.106 10.996 -0.975 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.521 11.913 -0.406 1.00 10.00 H new ATOM 1023 N ALA A 73 8.028 9.917 2.682 1.00 10.00 N ATOM 1024 CA ALA A 73 9.044 9.395 3.572 1.00 10.00 C ATOM 1025 C ALA A 73 8.571 9.236 4.995 1.00 10.00 C ATOM 1026 O ALA A 73 9.033 8.352 5.688 1.00 10.00 O ATOM 1027 CB ALA A 73 10.256 10.230 3.570 1.00 10.00 C ATOM 0 H ALA A 73 8.179 10.884 2.395 1.00 10.00 H new ATOM 0 HA ALA A 73 9.275 8.405 3.178 1.00 10.00 H new ATOM 0 HB1 ALA A 73 10.993 9.803 4.251 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.671 10.267 2.563 1.00 10.00 H new ATOM 0 HB3 ALA A 73 10.003 11.239 3.895 1.00 10.00 H new ATOM 1033 N GLU A 74 7.722 10.120 5.454 1.00 10.00 N ATOM 1034 CA GLU A 74 7.111 9.983 6.783 1.00 10.00 C ATOM 1035 C GLU A 74 6.289 8.703 6.754 1.00 10.00 C ATOM 1036 O GLU A 74 6.354 7.860 7.672 1.00 10.00 O ATOM 1037 CB GLU A 74 6.260 11.240 7.097 1.00 10.00 C ATOM 1038 CG GLU A 74 5.778 11.405 8.547 1.00 10.00 C ATOM 1039 CD GLU A 74 4.627 10.508 8.940 1.00 10.00 C ATOM 1040 OE1 GLU A 74 3.471 10.870 8.667 1.00 10.00 O ATOM 1041 OE2 GLU A 74 4.863 9.461 9.574 1.00 10.00 O ATOM 0 H GLU A 74 7.428 10.949 4.938 1.00 10.00 H new ATOM 0 HA GLU A 74 7.853 9.914 7.578 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.844 12.121 6.831 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.385 11.229 6.447 1.00 10.00 H new ATOM 0 HG2 GLU A 74 6.616 11.212 9.217 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.480 12.442 8.700 1.00 10.00 H new ATOM 1048 N VAL A 75 5.586 8.531 5.651 1.00 10.00 N ATOM 1049 CA VAL A 75 4.888 7.319 5.370 1.00 10.00 C ATOM 1050 C VAL A 75 5.879 6.135 5.340 1.00 10.00 C ATOM 1051 O VAL A 75 5.640 5.141 5.991 1.00 10.00 O ATOM 1052 CB VAL A 75 4.094 7.425 4.047 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.580 6.086 3.621 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.934 8.390 4.201 1.00 10.00 C ATOM 0 H VAL A 75 5.491 9.243 4.927 1.00 10.00 H new ATOM 0 HA VAL A 75 4.164 7.141 6.165 1.00 10.00 H new ATOM 0 HB VAL A 75 4.773 7.798 3.280 1.00 10.00 H new ATOM 0 HG11 VAL A 75 3.026 6.189 2.688 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.418 5.405 3.472 1.00 10.00 H new ATOM 0 HG13 VAL A 75 2.921 5.687 4.392 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.386 8.453 3.261 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.267 8.035 4.987 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.314 9.377 4.466 1.00 10.00 H new ATOM 1064 N MET A 76 6.993 6.262 4.579 1.00 10.00 N ATOM 1065 CA MET A 76 8.056 5.265 4.553 1.00 10.00 C ATOM 1066 C MET A 76 8.537 4.925 5.944 1.00 10.00 C ATOM 1067 O MET A 76 8.630 3.772 6.270 1.00 10.00 O ATOM 1068 CB MET A 76 9.244 5.728 3.706 1.00 10.00 C ATOM 1069 CG MET A 76 8.985 5.944 2.228 1.00 10.00 C ATOM 1070 SD MET A 76 8.866 4.464 1.208 1.00 10.00 S ATOM 1071 CE MET A 76 7.318 3.787 1.749 1.00 10.00 C ATOM 0 H MET A 76 7.166 7.063 3.972 1.00 10.00 H new ATOM 0 HA MET A 76 7.627 4.371 4.100 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.617 6.662 4.126 1.00 10.00 H new ATOM 0 HB3 MET A 76 10.041 4.992 3.807 1.00 10.00 H new ATOM 0 HG2 MET A 76 8.057 6.506 2.123 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.784 6.570 1.830 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.796 3.348 0.899 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.500 3.018 2.500 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.706 4.579 2.181 1.00 10.00 H new ATOM 1081 N SER A 77 8.818 5.932 6.744 1.00 10.00 N ATOM 1082 CA SER A 77 9.271 5.734 8.116 1.00 10.00 C ATOM 1083 C SER A 77 8.282 4.877 8.904 1.00 10.00 C ATOM 1084 O SER A 77 8.678 3.969 9.607 1.00 10.00 O ATOM 1085 CB SER A 77 9.501 7.079 8.794 1.00 10.00 C ATOM 1086 OG SER A 77 10.419 7.873 8.043 1.00 10.00 O ATOM 0 H SER A 77 8.741 6.911 6.468 1.00 10.00 H new ATOM 0 HA SER A 77 10.219 5.197 8.092 1.00 10.00 H new ATOM 0 HB2 SER A 77 8.553 7.608 8.895 1.00 10.00 H new ATOM 0 HB3 SER A 77 9.887 6.923 9.801 1.00 10.00 H new ATOM 0 HG SER A 77 9.993 8.167 7.211 1.00 10.00 H new ATOM 1092 N HIS A 78 7.007 5.152 8.758 1.00 10.00 N ATOM 1093 CA HIS A 78 6.006 4.298 9.385 1.00 10.00 C ATOM 1094 C HIS A 78 5.968 2.909 8.736 1.00 10.00 C ATOM 1095 O HIS A 78 6.094 1.897 9.421 1.00 10.00 O ATOM 1096 CB HIS A 78 4.612 4.947 9.406 1.00 10.00 C ATOM 1097 CG HIS A 78 4.333 5.750 10.647 1.00 10.00 C ATOM 1098 ND1 HIS A 78 4.208 7.124 10.679 1.00 10.00 N ATOM 1099 CD2 HIS A 78 4.097 5.334 11.914 1.00 10.00 C ATOM 1100 CE1 HIS A 78 3.912 7.503 11.901 1.00 10.00 C ATOM 1101 NE2 HIS A 78 3.840 6.438 12.663 1.00 10.00 N ATOM 0 H HIS A 78 6.637 5.939 8.225 1.00 10.00 H new ATOM 0 HA HIS A 78 6.309 4.171 10.424 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.510 5.595 8.535 1.00 10.00 H new ATOM 0 HB3 HIS A 78 3.857 4.166 9.313 1.00 10.00 H new ATOM 0 HD1 HIS A 78 4.327 7.747 9.880 1.00 10.00 H new ATOM 0 HD2 HIS A 78 4.111 4.313 12.265 1.00 10.00 H new ATOM 0 HE1 HIS A 78 3.754 8.521 12.224 1.00 10.00 H new ATOM 1110 N ILE A 79 5.878 2.897 7.423 1.00 10.00 N ATOM 1111 CA ILE A 79 5.756 1.695 6.605 1.00 10.00 C ATOM 1112 C ILE A 79 6.930 0.681 6.757 1.00 10.00 C ATOM 1113 O ILE A 79 6.721 -0.523 6.974 1.00 10.00 O ATOM 1114 CB ILE A 79 5.534 2.110 5.112 1.00 10.00 C ATOM 1115 CG1 ILE A 79 4.047 2.304 4.794 1.00 10.00 C ATOM 1116 CG2 ILE A 79 6.233 1.233 4.120 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.756 2.607 3.343 1.00 10.00 C ATOM 0 H ILE A 79 5.888 3.753 6.869 1.00 10.00 H new ATOM 0 HA ILE A 79 4.889 1.148 6.974 1.00 10.00 H new ATOM 0 HB ILE A 79 6.018 3.080 5.000 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.506 1.402 5.080 1.00 10.00 H new ATOM 0 HG13 ILE A 79 3.659 3.117 5.408 1.00 10.00 H new ATOM 0 HG21 ILE A 79 6.027 1.589 3.111 1.00 10.00 H new ATOM 0 HG22 ILE A 79 7.307 1.261 4.303 1.00 10.00 H new ATOM 0 HG23 ILE A 79 5.874 0.209 4.223 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.682 2.730 3.205 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.266 3.526 3.054 1.00 10.00 H new ATOM 0 HD13 ILE A 79 4.110 1.784 2.721 1.00 10.00 H new ATOM 1129 N GLN A 80 8.131 1.162 6.649 1.00 10.00 N ATOM 1130 CA GLN A 80 9.320 0.372 6.802 1.00 10.00 C ATOM 1131 C GLN A 80 9.475 -0.179 8.208 1.00 10.00 C ATOM 1132 O GLN A 80 10.213 -1.128 8.428 1.00 10.00 O ATOM 1133 CB GLN A 80 10.502 1.231 6.402 1.00 10.00 C ATOM 1134 CG GLN A 80 10.438 1.654 4.939 1.00 10.00 C ATOM 1135 CD GLN A 80 10.558 0.499 4.064 1.00 10.00 C ATOM 1136 OE1 GLN A 80 11.644 0.117 3.675 1.00 10.00 O ATOM 1137 NE2 GLN A 80 9.488 -0.069 3.764 1.00 10.00 N ATOM 0 H GLN A 80 8.319 2.144 6.446 1.00 10.00 H new ATOM 0 HA GLN A 80 9.257 -0.504 6.157 1.00 10.00 H new ATOM 0 HB2 GLN A 80 10.534 2.119 7.034 1.00 10.00 H new ATOM 0 HB3 GLN A 80 11.426 0.680 6.579 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.496 2.167 4.745 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.238 2.363 4.725 1.00 10.00 H new ATOM 0 HE21 GLN A 80 8.602 0.293 4.117 1.00 10.00 H new ATOM 0 HE22 GLN A 80 9.499 -0.895 3.165 1.00 10.00 H new ATOM 1146 N ARG A 81 8.774 0.402 9.140 1.00 10.00 N ATOM 1147 CA ARG A 81 8.832 -0.028 10.506 1.00 10.00 C ATOM 1148 C ARG A 81 7.483 -0.606 10.953 1.00 10.00 C ATOM 1149 O ARG A 81 7.147 -0.566 12.145 1.00 10.00 O ATOM 1150 CB ARG A 81 9.215 1.165 11.355 1.00 10.00 C ATOM 1151 CG ARG A 81 10.539 1.751 10.959 1.00 10.00 C ATOM 1152 CD ARG A 81 10.837 3.031 11.682 1.00 10.00 C ATOM 1153 NE ARG A 81 12.068 3.631 11.180 1.00 10.00 N ATOM 1154 CZ ARG A 81 12.662 4.697 11.702 1.00 10.00 C ATOM 1155 NH1 ARG A 81 12.104 5.352 12.717 1.00 10.00 N ATOM 1156 NH2 ARG A 81 13.804 5.119 11.199 1.00 10.00 N ATOM 0 H ARG A 81 8.146 1.188 8.973 1.00 10.00 H new ATOM 0 HA ARG A 81 9.573 -0.819 10.618 1.00 10.00 H new ATOM 0 HB2 ARG A 81 8.443 1.930 11.271 1.00 10.00 H new ATOM 0 HB3 ARG A 81 9.253 0.865 12.402 1.00 10.00 H new ATOM 0 HG2 ARG A 81 11.329 1.029 11.164 1.00 10.00 H new ATOM 0 HG3 ARG A 81 10.546 1.934 9.884 1.00 10.00 H new ATOM 0 HD2 ARG A 81 10.009 3.728 11.555 1.00 10.00 H new ATOM 0 HD3 ARG A 81 10.930 2.838 12.751 1.00 10.00 H new ATOM 0 HE ARG A 81 12.505 3.199 10.366 1.00 10.00 H new ATOM 0 HH11 ARG A 81 11.213 5.036 13.100 1.00 10.00 H new ATOM 0 HH12 ARG A 81 12.567 6.170 13.112 1.00 10.00 H new ATOM 0 HH21 ARG A 81 14.227 4.627 10.412 1.00 10.00 H new ATOM 0 HH22 ARG A 81 14.265 5.938 11.596 1.00 10.00 H new ATOM 1170 N ASP A 82 6.713 -1.151 10.008 1.00 10.00 N ATOM 1171 CA ASP A 82 5.411 -1.728 10.357 1.00 10.00 C ATOM 1172 C ASP A 82 5.499 -3.152 10.877 1.00 10.00 C ATOM 1173 O ASP A 82 6.028 -3.401 11.965 1.00 10.00 O ATOM 1174 CB ASP A 82 4.352 -1.721 9.224 1.00 10.00 C ATOM 1175 CG ASP A 82 3.785 -0.407 8.824 1.00 10.00 C ATOM 1176 OD1 ASP A 82 3.257 0.327 9.684 1.00 10.00 O ATOM 1177 OD2 ASP A 82 3.773 -0.160 7.623 1.00 10.00 O ATOM 0 H ASP A 82 6.959 -1.205 9.020 1.00 10.00 H new ATOM 0 HA ASP A 82 5.080 -1.050 11.144 1.00 10.00 H new ATOM 0 HB2 ASP A 82 4.801 -2.177 8.341 1.00 10.00 H new ATOM 0 HB3 ASP A 82 3.527 -2.364 9.530 1.00 10.00 H new ATOM 1182 N ARG A 83 5.045 -4.097 10.014 1.00 10.00 N ATOM 1183 CA ARG A 83 4.728 -5.516 10.351 1.00 10.00 C ATOM 1184 C ARG A 83 3.700 -6.006 9.336 1.00 10.00 C ATOM 1185 O ARG A 83 3.715 -7.139 8.896 1.00 10.00 O ATOM 1186 CB ARG A 83 4.061 -5.656 11.772 1.00 10.00 C ATOM 1187 CG ARG A 83 2.898 -4.668 12.028 1.00 10.00 C ATOM 1188 CD ARG A 83 2.159 -4.924 13.324 1.00 10.00 C ATOM 1189 NE ARG A 83 1.542 -3.685 13.837 1.00 10.00 N ATOM 1190 CZ ARG A 83 0.258 -3.285 13.721 1.00 10.00 C ATOM 1191 NH1 ARG A 83 -0.627 -3.962 12.987 1.00 10.00 N ATOM 1192 NH2 ARG A 83 -0.120 -2.163 14.333 1.00 10.00 N ATOM 0 H ARG A 83 4.883 -3.888 9.029 1.00 10.00 H new ATOM 0 HA ARG A 83 5.658 -6.084 10.340 1.00 10.00 H new ATOM 0 HB2 ARG A 83 3.690 -6.674 11.888 1.00 10.00 H new ATOM 0 HB3 ARG A 83 4.824 -5.506 12.535 1.00 10.00 H new ATOM 0 HG2 ARG A 83 3.292 -3.652 12.039 1.00 10.00 H new ATOM 0 HG3 ARG A 83 2.192 -4.728 11.199 1.00 10.00 H new ATOM 0 HD2 ARG A 83 1.389 -5.678 13.164 1.00 10.00 H new ATOM 0 HD3 ARG A 83 2.849 -5.325 14.067 1.00 10.00 H new ATOM 0 HE ARG A 83 2.163 -3.053 14.342 1.00 10.00 H new ATOM 0 HH11 ARG A 83 -0.340 -4.808 12.494 1.00 10.00 H new ATOM 0 HH12 ARG A 83 -1.590 -3.634 12.919 1.00 10.00 H new ATOM 0 HH21 ARG A 83 0.556 -1.625 14.875 1.00 10.00 H new ATOM 0 HH22 ARG A 83 -1.085 -1.842 14.259 1.00 10.00 H new ATOM 1206 N ARG A 84 2.867 -5.067 8.915 1.00 10.00 N ATOM 1207 CA ARG A 84 1.657 -5.298 8.104 1.00 10.00 C ATOM 1208 C ARG A 84 1.954 -5.645 6.632 1.00 10.00 C ATOM 1209 O ARG A 84 1.085 -5.581 5.787 1.00 10.00 O ATOM 1210 CB ARG A 84 0.857 -4.031 8.104 1.00 10.00 C ATOM 1211 CG ARG A 84 0.541 -3.432 9.449 1.00 10.00 C ATOM 1212 CD ARG A 84 -0.296 -2.205 9.234 1.00 10.00 C ATOM 1213 NE ARG A 84 -0.782 -1.599 10.464 1.00 10.00 N ATOM 1214 CZ ARG A 84 -2.073 -1.608 10.806 1.00 10.00 C ATOM 1215 NH1 ARG A 84 -2.864 -2.584 10.386 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -2.538 -0.734 11.664 1.00 10.00 N ATOM 0 H ARG A 84 3.011 -4.081 9.131 1.00 10.00 H new ATOM 0 HA ARG A 84 1.134 -6.146 8.546 1.00 10.00 H new ATOM 0 HB2 ARG A 84 1.397 -3.287 7.518 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -0.083 -4.222 7.587 1.00 10.00 H new ATOM 0 HG2 ARG A 84 0.007 -4.152 10.069 1.00 10.00 H new ATOM 0 HG3 ARG A 84 1.460 -3.177 9.976 1.00 10.00 H new ATOM 0 HD2 ARG A 84 0.291 -1.469 8.685 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -1.149 -2.464 8.607 1.00 10.00 H new ATOM 0 HE ARG A 84 -0.112 -1.150 11.089 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -2.487 -3.330 9.801 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -3.850 -2.590 10.648 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -1.913 -0.041 12.075 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -3.525 -0.747 11.921 1.00 10.00 H new ATOM 1230 N HIS A 85 3.153 -6.029 6.363 1.00 10.00 N ATOM 1231 CA HIS A 85 3.659 -6.270 5.040 1.00 10.00 C ATOM 1232 C HIS A 85 5.043 -6.784 5.174 1.00 10.00 C ATOM 1233 O HIS A 85 5.933 -6.070 5.590 1.00 10.00 O ATOM 1234 CB HIS A 85 3.560 -5.037 4.074 1.00 10.00 C ATOM 1235 CG HIS A 85 3.931 -3.685 4.632 1.00 10.00 C ATOM 1236 ND1 HIS A 85 3.809 -2.536 3.918 1.00 10.00 N ATOM 1237 CD2 HIS A 85 4.404 -3.307 5.834 1.00 10.00 C ATOM 1238 CE1 HIS A 85 4.197 -1.540 4.652 1.00 10.00 C ATOM 1239 NE2 HIS A 85 4.546 -1.975 5.812 1.00 10.00 N ATOM 0 H HIS A 85 3.849 -6.194 7.090 1.00 10.00 H new ATOM 0 HA HIS A 85 3.025 -7.012 4.556 1.00 10.00 H new ATOM 0 HB2 HIS A 85 4.198 -5.232 3.212 1.00 10.00 H new ATOM 0 HB3 HIS A 85 2.536 -4.980 3.705 1.00 10.00 H new ATOM 0 HD2 HIS A 85 4.628 -3.959 6.665 1.00 10.00 H new ATOM 0 HE1 HIS A 85 4.223 -0.507 4.339 1.00 10.00 H new ATOM 0 HE2 HIS A 85 4.876 -1.400 6.587 1.00 10.00 H new ATOM 1248 N SER A 86 5.194 -8.007 4.807 1.00 10.00 N ATOM 1249 CA SER A 86 6.380 -8.809 5.071 1.00 10.00 C ATOM 1250 C SER A 86 7.745 -8.279 4.709 1.00 10.00 C ATOM 1251 O SER A 86 8.731 -8.653 5.330 1.00 10.00 O ATOM 1252 CB SER A 86 6.172 -10.164 4.603 1.00 10.00 C ATOM 1253 OG SER A 86 5.436 -10.893 5.511 1.00 10.00 O ATOM 0 H SER A 86 4.476 -8.516 4.292 1.00 10.00 H new ATOM 0 HA SER A 86 6.458 -8.761 6.157 1.00 10.00 H new ATOM 0 HB2 SER A 86 5.656 -10.146 3.643 1.00 10.00 H new ATOM 0 HB3 SER A 86 7.135 -10.647 4.438 1.00 10.00 H new ATOM 0 HG SER A 86 5.307 -11.803 5.172 1.00 10.00 H new ATOM 1259 N ASN A 87 7.815 -7.429 3.761 1.00 10.00 N ATOM 1260 CA ASN A 87 9.131 -6.930 3.352 1.00 10.00 C ATOM 1261 C ASN A 87 9.175 -5.476 3.200 1.00 10.00 C ATOM 1262 O ASN A 87 10.090 -4.806 3.670 1.00 10.00 O ATOM 1263 CB ASN A 87 9.722 -7.581 2.086 1.00 10.00 C ATOM 1264 CG ASN A 87 9.959 -9.078 2.113 1.00 10.00 C ATOM 1265 OD1 ASN A 87 10.175 -9.677 3.158 1.00 10.00 O ATOM 1266 ND2 ASN A 87 9.976 -9.678 0.944 1.00 10.00 N ATOM 0 H ASN A 87 7.019 -7.053 3.246 1.00 10.00 H new ATOM 0 HA ASN A 87 9.759 -7.230 4.190 1.00 10.00 H new ATOM 0 HB2 ASN A 87 9.055 -7.361 1.252 1.00 10.00 H new ATOM 0 HB3 ASN A 87 10.673 -7.094 1.870 1.00 10.00 H new ATOM 0 HD21 ASN A 87 10.174 -10.677 0.886 1.00 10.00 H new ATOM 0 HD22 ASN A 87 9.791 -9.145 0.094 1.00 10.00 H new ATOM 1273 N VAL A 88 8.168 -5.014 2.619 1.00 10.00 N ATOM 1274 CA VAL A 88 8.044 -3.712 2.147 1.00 10.00 C ATOM 1275 C VAL A 88 9.243 -3.159 1.419 1.00 10.00 C ATOM 1276 O VAL A 88 9.926 -2.226 1.850 1.00 10.00 O ATOM 1277 CB VAL A 88 7.206 -2.770 3.018 1.00 10.00 C ATOM 1278 CG1 VAL A 88 7.690 -2.616 4.406 1.00 10.00 C ATOM 1279 CG2 VAL A 88 6.966 -1.459 2.382 1.00 10.00 C ATOM 0 H VAL A 88 7.336 -5.578 2.443 1.00 10.00 H new ATOM 0 HA VAL A 88 7.368 -3.802 1.296 1.00 10.00 H new ATOM 0 HB VAL A 88 6.246 -3.279 3.099 1.00 10.00 H new ATOM 0 HG11 VAL A 88 7.035 -1.932 4.946 1.00 10.00 H new ATOM 0 HG12 VAL A 88 7.689 -3.587 4.902 1.00 10.00 H new ATOM 0 HG13 VAL A 88 8.704 -2.216 4.396 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.367 -0.836 3.047 1.00 10.00 H new ATOM 0 HG22 VAL A 88 7.920 -0.969 2.187 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.433 -1.603 1.442 1.00 10.00 H new ATOM 1289 N GLU A 89 9.498 -3.821 0.324 1.00 10.00 N ATOM 1290 CA GLU A 89 10.560 -3.517 -0.566 1.00 10.00 C ATOM 1291 C GLU A 89 10.091 -2.474 -1.512 1.00 10.00 C ATOM 1292 O GLU A 89 9.420 -2.781 -2.502 1.00 10.00 O ATOM 1293 CB GLU A 89 10.949 -4.765 -1.324 1.00 10.00 C ATOM 1294 CG GLU A 89 11.506 -5.831 -0.449 1.00 10.00 C ATOM 1295 CD GLU A 89 11.311 -7.216 -1.017 1.00 10.00 C ATOM 1296 OE1 GLU A 89 10.148 -7.649 -1.147 1.00 10.00 O ATOM 1297 OE2 GLU A 89 12.300 -7.893 -1.373 1.00 10.00 O ATOM 0 H GLU A 89 8.940 -4.621 0.024 1.00 10.00 H new ATOM 0 HA GLU A 89 11.428 -3.154 -0.016 1.00 10.00 H new ATOM 0 HB2 GLU A 89 10.074 -5.153 -1.846 1.00 10.00 H new ATOM 0 HB3 GLU A 89 11.686 -4.506 -2.084 1.00 10.00 H new ATOM 0 HG2 GLU A 89 12.571 -5.652 -0.299 1.00 10.00 H new ATOM 0 HG3 GLU A 89 11.032 -5.775 0.531 1.00 10.00 H new ATOM 1304 N ILE A 90 10.268 -1.254 -1.084 1.00 10.00 N ATOM 1305 CA ILE A 90 10.055 -0.071 -1.893 1.00 10.00 C ATOM 1306 C ILE A 90 10.746 -0.301 -3.196 1.00 10.00 C ATOM 1307 O ILE A 90 10.126 -0.591 -4.183 1.00 10.00 O ATOM 1308 CB ILE A 90 10.604 1.209 -1.180 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.390 1.141 0.330 1.00 10.00 C ATOM 1310 CG2 ILE A 90 9.942 2.486 -1.706 1.00 10.00 C ATOM 1311 CD1 ILE A 90 8.958 0.981 0.726 1.00 10.00 C ATOM 0 H ILE A 90 10.574 -1.042 -0.134 1.00 10.00 H new ATOM 0 HA ILE A 90 8.990 0.098 -2.049 1.00 10.00 H new ATOM 0 HB ILE A 90 11.671 1.242 -1.400 1.00 10.00 H new ATOM 0 HG12 ILE A 90 10.965 0.307 0.733 1.00 10.00 H new ATOM 0 HG13 ILE A 90 10.785 2.049 0.785 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.352 3.350 -1.184 1.00 10.00 H new ATOM 0 HG22 ILE A 90 10.135 2.582 -2.774 1.00 10.00 H new ATOM 0 HG23 ILE A 90 8.867 2.436 -1.535 1.00 10.00 H new ATOM 0 HD11 ILE A 90 8.883 0.940 1.813 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.381 1.828 0.354 1.00 10.00 H new ATOM 0 HD13 ILE A 90 8.564 0.058 0.300 1.00 10.00 H new ATOM 1323 N LEU A 91 12.020 -0.246 -3.158 1.00 10.00 N ATOM 1324 CA LEU A 91 12.918 -0.524 -4.280 1.00 10.00 C ATOM 1325 C LEU A 91 12.775 0.477 -5.447 1.00 10.00 C ATOM 1326 O LEU A 91 13.663 0.570 -6.299 1.00 10.00 O ATOM 1327 CB LEU A 91 12.756 -1.975 -4.782 1.00 10.00 C ATOM 1328 CG LEU A 91 13.055 -3.097 -3.767 1.00 10.00 C ATOM 1329 CD1 LEU A 91 12.801 -4.450 -4.405 1.00 10.00 C ATOM 1330 CD2 LEU A 91 14.494 -3.016 -3.284 1.00 10.00 C ATOM 0 H LEU A 91 12.524 0.006 -2.308 1.00 10.00 H new ATOM 0 HA LEU A 91 13.927 -0.397 -3.889 1.00 10.00 H new ATOM 0 HB2 LEU A 91 11.733 -2.100 -5.136 1.00 10.00 H new ATOM 0 HB3 LEU A 91 13.410 -2.112 -5.643 1.00 10.00 H new ATOM 0 HG LEU A 91 12.395 -2.972 -2.909 1.00 10.00 H new ATOM 0 HD11 LEU A 91 13.014 -5.238 -3.683 1.00 10.00 H new ATOM 0 HD12 LEU A 91 11.759 -4.515 -4.717 1.00 10.00 H new ATOM 0 HD13 LEU A 91 13.448 -4.570 -5.274 1.00 10.00 H new ATOM 0 HD21 LEU A 91 14.683 -3.817 -2.569 1.00 10.00 H new ATOM 0 HD22 LEU A 91 15.169 -3.121 -4.133 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.663 -2.052 -2.803 1.00 10.00 H new ATOM 1342 N ALA A 92 11.663 1.193 -5.498 1.00 10.00 N ATOM 1343 CA ALA A 92 11.417 2.167 -6.532 1.00 10.00 C ATOM 1344 C ALA A 92 10.913 3.439 -5.921 1.00 10.00 C ATOM 1345 O ALA A 92 9.869 3.451 -5.277 1.00 10.00 O ATOM 1346 CB ALA A 92 10.404 1.646 -7.524 1.00 10.00 C ATOM 0 H ALA A 92 10.907 1.110 -4.818 1.00 10.00 H new ATOM 0 HA ALA A 92 12.353 2.359 -7.056 1.00 10.00 H new ATOM 0 HB1 ALA A 92 10.232 2.396 -8.296 1.00 10.00 H new ATOM 0 HB2 ALA A 92 10.781 0.732 -7.983 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.467 1.434 -7.009 1.00 10.00 H new ATOM 1352 N GLU A 93 11.656 4.490 -6.095 1.00 10.00 N ATOM 1353 CA GLU A 93 11.297 5.783 -5.577 1.00 10.00 C ATOM 1354 C GLU A 93 11.567 6.798 -6.663 1.00 10.00 C ATOM 1355 O GLU A 93 12.724 7.066 -7.016 1.00 10.00 O ATOM 1356 CB GLU A 93 12.127 6.093 -4.334 1.00 10.00 C ATOM 1357 CG GLU A 93 12.032 5.032 -3.282 1.00 10.00 C ATOM 1358 CD GLU A 93 12.978 5.238 -2.162 1.00 10.00 C ATOM 1359 OE1 GLU A 93 14.144 4.797 -2.274 1.00 10.00 O ATOM 1360 OE2 GLU A 93 12.576 5.815 -1.149 1.00 10.00 O ATOM 0 H GLU A 93 12.539 4.478 -6.606 1.00 10.00 H new ATOM 0 HA GLU A 93 10.246 5.809 -5.291 1.00 10.00 H new ATOM 0 HB2 GLU A 93 13.171 6.216 -4.623 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.798 7.043 -3.913 1.00 10.00 H new ATOM 0 HG2 GLU A 93 11.015 5.007 -2.891 1.00 10.00 H new ATOM 0 HG3 GLU A 93 12.223 4.060 -3.737 1.00 10.00 H new ATOM 1367 N GLU A 94 10.533 7.352 -7.192 1.00 10.00 N ATOM 1368 CA GLU A 94 10.646 8.259 -8.309 1.00 10.00 C ATOM 1369 C GLU A 94 9.917 9.571 -8.044 1.00 10.00 C ATOM 1370 O GLU A 94 8.907 9.595 -7.356 1.00 10.00 O ATOM 1371 CB GLU A 94 10.102 7.563 -9.557 1.00 10.00 C ATOM 1372 CG GLU A 94 8.701 6.986 -9.367 1.00 10.00 C ATOM 1373 CD GLU A 94 8.216 6.225 -10.558 1.00 10.00 C ATOM 1374 OE1 GLU A 94 7.852 6.847 -11.560 1.00 10.00 O ATOM 1375 OE2 GLU A 94 8.216 4.975 -10.525 1.00 10.00 O ATOM 0 H GLU A 94 9.577 7.197 -6.871 1.00 10.00 H new ATOM 0 HA GLU A 94 11.695 8.515 -8.460 1.00 10.00 H new ATOM 0 HB2 GLU A 94 10.085 8.274 -10.383 1.00 10.00 H new ATOM 0 HB3 GLU A 94 10.782 6.760 -9.842 1.00 10.00 H new ATOM 0 HG2 GLU A 94 8.700 6.329 -8.498 1.00 10.00 H new ATOM 0 HG3 GLU A 94 8.006 7.798 -9.154 1.00 10.00 H new ATOM 1382 N SER A 95 10.451 10.650 -8.556 1.00 10.00 N ATOM 1383 CA SER A 95 9.832 11.949 -8.427 1.00 10.00 C ATOM 1384 C SER A 95 8.707 12.064 -9.440 1.00 10.00 C ATOM 1385 O SER A 95 8.887 11.743 -10.616 1.00 10.00 O ATOM 1386 CB SER A 95 10.879 13.032 -8.639 1.00 10.00 C ATOM 1387 OG SER A 95 11.979 12.847 -7.739 1.00 10.00 O ATOM 0 H SER A 95 11.329 10.655 -9.075 1.00 10.00 H new ATOM 0 HA SER A 95 9.413 12.073 -7.428 1.00 10.00 H new ATOM 0 HB2 SER A 95 11.235 13.006 -9.669 1.00 10.00 H new ATOM 0 HB3 SER A 95 10.433 14.014 -8.481 1.00 10.00 H new ATOM 0 HG SER A 95 12.645 13.550 -7.888 1.00 10.00 H new ATOM 1393 N ILE A 96 7.549 12.472 -8.985 1.00 10.00 N ATOM 1394 CA ILE A 96 6.380 12.528 -9.849 1.00 10.00 C ATOM 1395 C ILE A 96 5.692 13.867 -9.886 1.00 10.00 C ATOM 1396 O ILE A 96 6.076 14.810 -9.195 1.00 10.00 O ATOM 1397 CB ILE A 96 5.332 11.514 -9.465 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.931 11.714 -8.026 1.00 10.00 C ATOM 1399 CG2 ILE A 96 5.836 10.100 -9.744 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.574 11.258 -7.687 1.00 10.00 C ATOM 0 H ILE A 96 7.383 12.771 -8.024 1.00 10.00 H new ATOM 0 HA ILE A 96 6.796 12.315 -10.834 1.00 10.00 H new ATOM 0 HB ILE A 96 4.439 11.656 -10.074 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.644 11.189 -7.390 1.00 10.00 H new ATOM 0 HG13 ILE A 96 5.012 12.774 -7.787 1.00 10.00 H new ATOM 0 HG21 ILE A 96 5.069 9.378 -9.462 1.00 10.00 H new ATOM 0 HG22 ILE A 96 6.059 9.996 -10.806 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.740 9.915 -9.163 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.381 11.445 -6.631 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.846 11.800 -8.291 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.488 10.190 -7.888 1.00 10.00 H new ATOM 1412 N ALA A 97 4.646 13.935 -10.698 1.00 10.00 N ATOM 1413 CA ALA A 97 3.811 15.122 -10.785 1.00 10.00 C ATOM 1414 C ALA A 97 2.490 14.872 -10.177 1.00 10.00 C ATOM 1415 O ALA A 97 1.646 15.757 -10.069 1.00 10.00 O ATOM 1416 CB ALA A 97 3.624 15.549 -12.177 1.00 10.00 C ATOM 0 H ALA A 97 4.355 13.173 -11.311 1.00 10.00 H new ATOM 0 HA ALA A 97 4.323 15.916 -10.241 1.00 10.00 H new ATOM 0 HB1 ALA A 97 2.995 16.439 -12.203 1.00 10.00 H new ATOM 0 HB2 ALA A 97 4.593 15.777 -12.621 1.00 10.00 H new ATOM 0 HB3 ALA A 97 3.145 14.749 -12.742 1.00 10.00 H new ATOM 1422 N LYS A 98 2.356 13.680 -9.751 1.00 10.00 N ATOM 1423 CA LYS A 98 1.205 13.155 -9.164 1.00 10.00 C ATOM 1424 C LYS A 98 -0.026 13.352 -10.062 1.00 10.00 C ATOM 1425 O LYS A 98 0.098 13.464 -11.296 1.00 10.00 O ATOM 1426 CB LYS A 98 1.114 13.820 -7.836 1.00 10.00 C ATOM 1427 CG LYS A 98 0.265 13.173 -6.873 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.738 14.077 -6.261 1.00 10.00 C ATOM 1429 CE LYS A 98 -0.248 14.426 -4.934 1.00 10.00 C ATOM 1430 NZ LYS A 98 -1.201 15.254 -4.160 1.00 10.00 N ATOM 0 H LYS A 98 3.111 12.997 -9.811 1.00 10.00 H new ATOM 0 HA LYS A 98 1.247 12.073 -9.036 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.118 13.893 -7.417 1.00 10.00 H new ATOM 0 HB3 LYS A 98 0.755 14.838 -7.984 1.00 10.00 H new ATOM 0 HG2 LYS A 98 -0.253 12.345 -7.357 1.00 10.00 H new ATOM 0 HG3 LYS A 98 0.885 12.745 -6.085 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -0.872 14.971 -6.869 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.709 13.587 -6.196 1.00 10.00 H new ATOM 0 HE2 LYS A 98 -0.037 13.512 -4.379 1.00 10.00 H new ATOM 0 HE3 LYS A 98 0.695 14.964 -5.032 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -1.132 15.011 -3.151 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -0.972 16.260 -4.290 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -2.169 15.073 -4.494 1.00 10.00 H new ATOM 1444 N ARG A 99 -1.183 13.284 -9.452 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.460 13.567 -10.075 1.00 10.00 C ATOM 1446 C ARG A 99 -2.904 12.416 -10.929 1.00 10.00 C ATOM 1447 O ARG A 99 -3.677 12.582 -11.883 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.442 14.911 -10.857 1.00 10.00 C ATOM 1449 CG ARG A 99 -2.123 16.139 -10.009 1.00 10.00 C ATOM 1450 CD ARG A 99 -3.119 16.336 -8.881 1.00 10.00 C ATOM 1451 NE ARG A 99 -2.810 17.534 -8.086 1.00 10.00 N ATOM 1452 CZ ARG A 99 -3.425 17.890 -6.947 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -4.373 17.135 -6.428 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -3.082 19.003 -6.337 1.00 10.00 N ATOM 0 H ARG A 99 -1.269 13.020 -8.470 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.198 13.688 -9.282 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -1.707 14.839 -11.659 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -3.414 15.054 -11.328 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -1.121 16.039 -9.592 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -2.117 17.025 -10.644 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -4.124 16.422 -9.294 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -3.114 15.459 -8.234 1.00 10.00 H new ATOM 0 HE ARG A 99 -2.068 18.144 -8.428 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -4.647 16.269 -6.892 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -4.833 17.417 -5.562 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -2.350 19.595 -6.729 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -3.548 19.275 -5.472 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.469 11.244 -10.561 1.00 10.00 N ATOM 1469 CA ARG A 100 -2.833 10.063 -11.271 1.00 10.00 C ATOM 1470 C ARG A 100 -3.888 9.298 -10.493 1.00 10.00 C ATOM 1471 O ARG A 100 -4.973 9.019 -11.005 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.616 9.201 -11.492 1.00 10.00 C ATOM 1473 CG ARG A 100 -0.497 9.917 -12.212 1.00 10.00 C ATOM 1474 CD ARG A 100 0.696 8.996 -12.379 1.00 10.00 C ATOM 1475 NE ARG A 100 0.357 7.826 -13.211 1.00 10.00 N ATOM 1476 CZ ARG A 100 0.764 6.567 -12.994 1.00 10.00 C ATOM 1477 NH1 ARG A 100 1.529 6.278 -11.949 1.00 10.00 N ATOM 1478 NH2 ARG A 100 0.413 5.596 -13.838 1.00 10.00 N ATOM 0 H ARG A 100 -1.854 11.086 -9.762 1.00 10.00 H new ATOM 0 HA ARG A 100 -3.246 10.340 -12.241 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -1.250 8.847 -10.528 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -1.903 8.320 -12.067 1.00 10.00 H new ATOM 0 HG2 ARG A 100 -0.842 10.256 -13.189 1.00 10.00 H new ATOM 0 HG3 ARG A 100 -0.204 10.805 -11.651 1.00 10.00 H new ATOM 0 HD2 ARG A 100 1.520 9.544 -12.836 1.00 10.00 H new ATOM 0 HD3 ARG A 100 1.040 8.662 -11.400 1.00 10.00 H new ATOM 0 HE ARG A 100 -0.239 7.989 -14.022 1.00 10.00 H new ATOM 0 HH11 ARG A 100 1.811 7.016 -11.304 1.00 10.00 H new ATOM 0 HH12 ARG A 100 1.835 5.318 -11.791 1.00 10.00 H new ATOM 0 HH21 ARG A 100 -0.166 5.811 -14.650 1.00 10.00 H new ATOM 0 HH22 ARG A 100 0.723 4.639 -13.672 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.605 9.005 -9.251 1.00 10.00 N ATOM 1493 CA PHE A 101 -4.518 8.231 -8.446 1.00 10.00 C ATOM 1494 C PHE A 101 -5.009 9.040 -7.261 1.00 10.00 C ATOM 1495 O PHE A 101 -4.721 8.736 -6.120 1.00 10.00 O ATOM 1496 CB PHE A 101 -3.917 6.871 -8.038 1.00 10.00 C ATOM 1497 CG PHE A 101 -3.706 5.921 -9.204 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -2.696 6.134 -10.130 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -4.529 4.826 -9.375 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -2.516 5.278 -11.198 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -4.352 3.964 -10.439 1.00 10.00 C ATOM 1502 CZ PHE A 101 -3.345 4.190 -11.352 1.00 10.00 C ATOM 0 H PHE A 101 -2.750 9.290 -8.773 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.391 7.996 -9.055 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -2.961 7.041 -7.542 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -4.575 6.397 -7.309 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.039 6.984 -10.014 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -5.323 4.641 -8.666 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -1.726 5.462 -11.911 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -5.004 3.111 -10.556 1.00 10.00 H new ATOM 0 HZ PHE A 101 -3.207 3.516 -12.185 1.00 10.00 H new ATOM 1512 N ALA A 102 -5.786 10.066 -7.610 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.368 11.146 -6.766 1.00 10.00 C ATOM 1514 C ALA A 102 -7.054 10.674 -5.492 1.00 10.00 C ATOM 1515 O ALA A 102 -7.364 11.464 -4.602 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.338 11.957 -7.603 1.00 10.00 C ATOM 0 H ALA A 102 -6.059 10.186 -8.585 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.526 11.749 -6.427 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -7.769 12.751 -6.993 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -6.809 12.396 -8.449 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -8.133 11.308 -7.969 1.00 10.00 H new ATOM 1522 N GLY A 103 -7.305 9.445 -5.423 1.00 10.00 N ATOM 1523 CA GLY A 103 -7.844 8.863 -4.272 1.00 10.00 C ATOM 1524 C GLY A 103 -7.155 7.580 -4.101 1.00 10.00 C ATOM 1525 O GLY A 103 -7.135 6.794 -5.034 1.00 10.00 O ATOM 0 H GLY A 103 -7.139 8.789 -6.186 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -7.693 9.505 -3.404 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.919 8.717 -4.377 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.506 7.383 -2.979 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.819 6.136 -2.751 1.00 10.00 C ATOM 1531 C TRP A 104 -6.784 4.950 -2.789 1.00 10.00 C ATOM 1532 O TRP A 104 -7.868 4.987 -2.203 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.916 6.195 -1.498 1.00 10.00 C ATOM 1534 CG TRP A 104 -4.506 4.874 -0.920 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -3.336 4.193 -1.085 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -5.294 4.100 -0.051 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -3.380 3.032 -0.357 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -4.581 2.963 0.277 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -6.555 4.273 0.472 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -5.113 2.010 1.111 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -7.065 3.375 1.263 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -6.372 2.258 1.588 1.00 10.00 C ATOM 0 H TRP A 104 -6.439 8.060 -2.219 1.00 10.00 H new ATOM 0 HA TRP A 104 -5.129 5.968 -3.578 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -4.015 6.754 -1.750 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.437 6.761 -0.726 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -2.505 4.517 -1.694 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -2.636 2.336 -0.300 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -7.123 5.158 0.225 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -4.569 1.115 1.376 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -8.056 3.523 1.666 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -6.830 1.536 2.248 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.403 3.950 -3.538 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.213 2.785 -3.746 1.00 10.00 C ATOM 1555 C HIS A 105 -6.630 1.609 -2.992 1.00 10.00 C ATOM 1556 O HIS A 105 -5.425 1.545 -2.783 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.242 2.474 -5.237 1.00 10.00 C ATOM 1558 CG HIS A 105 -7.925 3.505 -6.094 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -9.289 3.614 -6.232 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -7.403 4.488 -6.854 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -9.569 4.614 -7.034 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -8.445 5.159 -7.426 1.00 10.00 N ATOM 0 H HIS A 105 -5.508 3.924 -4.027 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.224 2.968 -3.382 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.217 2.356 -5.587 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -7.741 1.516 -5.382 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -6.353 4.705 -6.986 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -10.560 4.934 -7.322 1.00 10.00 H new ATOM 0 HE2 HIS A 105 -8.361 5.956 -8.057 1.00 10.00 H new ATOM 1571 N MET A 106 -7.462 0.678 -2.611 1.00 10.00 N ATOM 1572 CA MET A 106 -7.013 -0.501 -1.896 1.00 10.00 C ATOM 1573 C MET A 106 -7.686 -1.673 -2.564 1.00 10.00 C ATOM 1574 O MET A 106 -8.833 -1.537 -2.982 1.00 10.00 O ATOM 1575 CB MET A 106 -7.445 -0.409 -0.411 1.00 10.00 C ATOM 1576 CG MET A 106 -6.643 -1.255 0.604 1.00 10.00 C ATOM 1577 SD MET A 106 -6.703 -3.044 0.357 1.00 10.00 S ATOM 1578 CE MET A 106 -5.729 -3.618 1.756 1.00 10.00 C ATOM 0 H MET A 106 -8.467 0.708 -2.783 1.00 10.00 H new ATOM 0 HA MET A 106 -5.928 -0.601 -1.919 1.00 10.00 H new ATOM 0 HB2 MET A 106 -7.385 0.635 -0.104 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.493 -0.702 -0.344 1.00 10.00 H new ATOM 0 HG2 MET A 106 -5.601 -0.937 0.570 1.00 10.00 H new ATOM 0 HG3 MET A 106 -7.012 -1.033 1.605 1.00 10.00 H new ATOM 0 HE1 MET A 106 -5.216 -4.542 1.488 1.00 10.00 H new ATOM 0 HE2 MET A 106 -4.994 -2.859 2.023 1.00 10.00 H new ATOM 0 HE3 MET A 106 -6.386 -3.802 2.606 1.00 10.00 H new ATOM 1588 N GLN A 107 -6.976 -2.786 -2.708 1.00 10.00 N ATOM 1589 CA GLN A 107 -7.521 -4.003 -3.325 1.00 10.00 C ATOM 1590 C GLN A 107 -8.841 -4.392 -2.663 1.00 10.00 C ATOM 1591 O GLN A 107 -9.811 -4.726 -3.340 1.00 10.00 O ATOM 1592 CB GLN A 107 -6.528 -5.158 -3.198 1.00 10.00 C ATOM 1593 CG GLN A 107 -6.989 -6.465 -3.844 1.00 10.00 C ATOM 1594 CD GLN A 107 -7.142 -6.371 -5.355 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -6.194 -6.620 -6.097 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -8.319 -6.028 -5.819 1.00 10.00 N ATOM 0 H GLN A 107 -6.007 -2.877 -2.403 1.00 10.00 H new ATOM 0 HA GLN A 107 -7.697 -3.798 -4.381 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -5.582 -4.858 -3.649 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -6.334 -5.339 -2.141 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -6.272 -7.251 -3.607 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -7.943 -6.761 -3.407 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -9.083 -5.828 -5.174 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -8.471 -5.961 -6.825 1.00 10.00 H new