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 22:sc= 0.0892 USER MOD Set 1.2: A 23 SER OG : rot 64:sc= -0.277 USER MOD Set 1.3: A 85 HIS : no HD1:sc= -7.17! C(o=-7.4!,f=-5.8!) USER MOD Set 2.1: A 76 MET CE :methyl 157:sc= -2.65! (180deg=-4.97!) USER MOD Set 2.2: A 80 GLN : amide:sc= -5.53! C(o=-8.2!,f=-6.1!) USER MOD Single : A 18 SER OG : rot 31:sc= 0.0537 USER MOD Single : A 19 CYS SG : rot -119:sc= -0.142 USER MOD Single : A 20 CYS SG : rot -63:sc= 1.07 USER MOD Single : A 30 THR OG1 : rot 147:sc= 1.35 USER MOD Single : A 40 THR OG1 : rot 142:sc= 0.518 USER MOD Single : A 41 SER OG : rot 70:sc= 1.22 USER MOD Single : A 42 GLN : amide:sc= -3.53! K(o=-3.5!,f=-0.95) USER MOD Single : A 44 HIS : no HD1:sc= -0.52 K(o=-0.52,f=-4!) USER MOD Single : A 45 ASN : amide:sc= -0.604 X(o=-0.6,f=-0.86) USER MOD Single : A 49 GLN : amide:sc= 0.0738 X(o=0.074,f=0) USER MOD Single : A 51 THR OG1 : rot 136:sc= -2.11! 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= -0.171 K(o=-0.17,f=-0.84) USER MOD Single : A 63 GLN : amide:sc= -0.539 K(o=-0.54,f=-1.9!) USER MOD Single : A 68 HIS : no HD1:sc= -1 K(o=-1,f=-0.055) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.1!) USER MOD Single : A 86 SER OG : rot -170:sc= -0.123 USER MOD Single : A 87 ASN : amide:sc= 0.242 K(o=0.24,f=-4!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -132:sc= 1.21 (180deg=0.115) USER MOD Single : A 105 HIS : no HD1:sc= -0.551 K(o=-0.55,f=-0.041) USER MOD Single : A 106 MET CE :methyl -132:sc= -1.18 (180deg=-4.22!) USER MOD Single : A 107 GLN : amide:sc= -3.58! K(o=-3.6!,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 6.784 18.820 -6.599 1.00 10.00 N ATOM 139 CA ASP A 15 7.396 18.177 -5.484 1.00 10.00 C ATOM 140 C ASP A 15 6.583 17.038 -5.029 1.00 10.00 C ATOM 141 O ASP A 15 6.227 16.914 -3.867 1.00 10.00 O ATOM 142 CB ASP A 15 7.681 19.146 -4.327 1.00 10.00 C ATOM 143 CG ASP A 15 6.604 20.198 -4.083 1.00 10.00 C ATOM 144 OD1 ASP A 15 5.482 19.869 -3.628 1.00 10.00 O ATOM 145 OD2 ASP A 15 6.859 21.391 -4.366 1.00 10.00 O ATOM 0 HA ASP A 15 8.362 17.803 -5.824 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.815 18.567 -3.413 1.00 10.00 H new ATOM 0 HB3 ASP A 15 8.625 19.654 -4.523 1.00 10.00 H new ATOM 150 N LEU A 16 6.263 16.236 -5.947 1.00 10.00 N ATOM 151 CA LEU A 16 5.607 15.031 -5.698 1.00 10.00 C ATOM 152 C LEU A 16 6.549 13.945 -5.984 1.00 10.00 C ATOM 153 O LEU A 16 7.496 14.115 -6.726 1.00 10.00 O ATOM 154 CB LEU A 16 4.321 14.861 -6.491 1.00 10.00 C ATOM 155 CG LEU A 16 3.313 16.010 -6.476 1.00 10.00 C ATOM 156 CD1 LEU A 16 3.150 16.681 -5.122 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.567 16.968 -7.600 1.00 10.00 C ATOM 0 H LEU A 16 6.457 16.405 -6.934 1.00 10.00 H new ATOM 0 HA LEU A 16 5.295 15.018 -4.654 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.592 14.667 -7.529 1.00 10.00 H new ATOM 0 HB3 LEU A 16 3.816 13.969 -6.121 1.00 10.00 H new ATOM 0 HG LEU A 16 2.334 15.564 -6.654 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.417 17.484 -5.200 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.808 15.948 -4.391 1.00 10.00 H new ATOM 0 HD13 LEU A 16 4.107 17.093 -4.802 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.834 17.774 -7.563 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.570 17.384 -7.504 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.482 16.443 -8.552 1.00 10.00 H new ATOM 169 N VAL A 17 6.305 12.862 -5.393 1.00 10.00 N ATOM 170 CA VAL A 17 7.104 11.740 -5.440 1.00 10.00 C ATOM 171 C VAL A 17 6.195 10.532 -5.283 1.00 10.00 C ATOM 172 O VAL A 17 5.134 10.638 -4.674 1.00 10.00 O ATOM 173 CB VAL A 17 8.171 11.767 -4.298 1.00 10.00 C ATOM 174 CG1 VAL A 17 8.755 10.432 -4.090 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.288 12.742 -4.575 1.00 10.00 C ATOM 0 H VAL A 17 5.473 12.731 -4.818 1.00 10.00 H new ATOM 0 HA VAL A 17 7.644 11.700 -6.386 1.00 10.00 H new ATOM 0 HB VAL A 17 7.643 12.090 -3.401 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.494 10.479 -3.290 1.00 10.00 H new ATOM 0 HG12 VAL A 17 7.968 9.729 -3.816 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.236 10.098 -5.009 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.002 12.721 -3.751 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.793 12.463 -5.500 1.00 10.00 H new ATOM 0 HG23 VAL A 17 8.878 13.747 -4.674 1.00 10.00 H new ATOM 185 N SER A 18 6.578 9.449 -5.860 1.00 10.00 N ATOM 186 CA SER A 18 5.874 8.221 -5.710 1.00 10.00 C ATOM 187 C SER A 18 6.839 7.138 -5.309 1.00 10.00 C ATOM 188 O SER A 18 7.801 6.836 -6.051 1.00 10.00 O ATOM 189 CB SER A 18 5.131 7.833 -6.990 1.00 10.00 C ATOM 190 OG SER A 18 6.017 7.724 -8.088 1.00 10.00 O ATOM 0 H SER A 18 7.401 9.388 -6.459 1.00 10.00 H new ATOM 0 HA SER A 18 5.123 8.349 -4.930 1.00 10.00 H new ATOM 0 HB2 SER A 18 4.616 6.884 -6.840 1.00 10.00 H new ATOM 0 HB3 SER A 18 4.367 8.579 -7.209 1.00 10.00 H new ATOM 0 HG SER A 18 6.897 7.430 -7.771 1.00 10.00 H new ATOM 196 N CYS A 19 6.653 6.626 -4.142 1.00 10.00 N ATOM 197 CA CYS A 19 7.402 5.504 -3.693 1.00 10.00 C ATOM 198 C CYS A 19 6.549 4.283 -3.931 1.00 10.00 C ATOM 199 O CYS A 19 5.484 4.129 -3.314 1.00 10.00 O ATOM 200 CB CYS A 19 7.788 5.644 -2.215 1.00 10.00 C ATOM 201 SG CYS A 19 8.904 7.033 -1.857 1.00 10.00 S ATOM 0 H CYS A 19 5.972 6.976 -3.468 1.00 10.00 H new ATOM 0 HA CYS A 19 8.341 5.425 -4.240 1.00 10.00 H new ATOM 0 HB2 CYS A 19 6.879 5.763 -1.625 1.00 10.00 H new ATOM 0 HB3 CYS A 19 8.262 4.719 -1.887 1.00 10.00 H new ATOM 0 HG CYS A 19 10.013 6.580 -1.352 1.00 10.00 H new ATOM 207 N CYS A 20 6.977 3.463 -4.844 1.00 10.00 N ATOM 208 CA CYS A 20 6.244 2.297 -5.227 1.00 10.00 C ATOM 209 C CYS A 20 6.884 1.160 -4.535 1.00 10.00 C ATOM 210 O CYS A 20 8.088 1.144 -4.468 1.00 10.00 O ATOM 211 CB CYS A 20 6.329 2.113 -6.743 1.00 10.00 C ATOM 212 SG CYS A 20 5.855 3.582 -7.691 1.00 10.00 S ATOM 0 H CYS A 20 7.855 3.588 -5.348 1.00 10.00 H new ATOM 0 HA CYS A 20 5.190 2.375 -4.959 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.349 1.835 -7.008 1.00 10.00 H new ATOM 0 HB3 CYS A 20 5.687 1.282 -7.034 1.00 10.00 H new ATOM 0 HG CYS A 20 4.604 3.857 -7.469 1.00 10.00 H new ATOM 218 N TYR A 21 6.130 0.245 -3.966 1.00 10.00 N ATOM 219 CA TYR A 21 6.771 -0.824 -3.265 1.00 10.00 C ATOM 220 C TYR A 21 6.061 -2.143 -3.425 1.00 10.00 C ATOM 221 O TYR A 21 4.859 -2.197 -3.749 1.00 10.00 O ATOM 222 CB TYR A 21 6.920 -0.482 -1.779 1.00 10.00 C ATOM 223 CG TYR A 21 5.774 -0.705 -0.805 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.391 -1.984 -0.386 1.00 10.00 C ATOM 225 CD2 TYR A 21 5.141 0.368 -0.234 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.416 -2.156 0.565 1.00 10.00 C ATOM 227 CE2 TYR A 21 4.166 0.197 0.704 1.00 10.00 C ATOM 228 CZ TYR A 21 3.812 -1.067 1.101 1.00 10.00 C ATOM 229 OH TYR A 21 2.879 -1.240 2.065 1.00 10.00 O ATOM 0 H TYR A 21 5.110 0.224 -3.977 1.00 10.00 H new ATOM 0 HA TYR A 21 7.758 -0.938 -3.713 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.772 -1.050 -1.405 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.189 0.573 -1.720 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.870 -2.850 -0.818 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.420 1.368 -0.532 1.00 10.00 H new ATOM 0 HE1 TYR A 21 4.133 -3.149 0.883 1.00 10.00 H new ATOM 0 HE2 TYR A 21 3.673 1.056 1.134 1.00 10.00 H new ATOM 0 HH TYR A 21 3.007 -2.113 2.492 1.00 10.00 H new ATOM 239 N ARG A 22 6.789 -3.193 -3.151 1.00 10.00 N ATOM 240 CA ARG A 22 6.268 -4.534 -3.173 1.00 10.00 C ATOM 241 C ARG A 22 6.245 -5.071 -1.740 1.00 10.00 C ATOM 242 O ARG A 22 6.954 -4.567 -0.858 1.00 10.00 O ATOM 243 CB ARG A 22 7.193 -5.447 -3.979 1.00 10.00 C ATOM 244 CG ARG A 22 8.514 -5.737 -3.268 1.00 10.00 C ATOM 245 CD ARG A 22 9.392 -6.651 -4.050 1.00 10.00 C ATOM 246 NE ARG A 22 10.552 -7.094 -3.254 1.00 10.00 N ATOM 247 CZ ARG A 22 11.643 -7.689 -3.745 1.00 10.00 C ATOM 248 NH1 ARG A 22 11.753 -7.906 -5.053 1.00 10.00 N ATOM 249 NH2 ARG A 22 12.613 -8.085 -2.924 1.00 10.00 N ATOM 0 H ARG A 22 7.777 -3.140 -2.902 1.00 10.00 H new ATOM 0 HA ARG A 22 5.273 -4.517 -3.617 1.00 10.00 H new ATOM 0 HB2 ARG A 22 6.681 -6.388 -4.180 1.00 10.00 H new ATOM 0 HB3 ARG A 22 7.400 -4.985 -4.944 1.00 10.00 H new ATOM 0 HG2 ARG A 22 9.040 -4.799 -3.087 1.00 10.00 H new ATOM 0 HG3 ARG A 22 8.309 -6.180 -2.294 1.00 10.00 H new ATOM 0 HD2 ARG A 22 8.819 -7.519 -4.375 1.00 10.00 H new ATOM 0 HD3 ARG A 22 9.739 -6.143 -4.950 1.00 10.00 H new ATOM 0 HE ARG A 22 10.519 -6.933 -2.247 1.00 10.00 H new ATOM 0 HH11 ARG A 22 11.004 -7.618 -5.683 1.00 10.00 H new ATOM 0 HH12 ARG A 22 12.586 -8.360 -5.426 1.00 10.00 H new ATOM 0 HH21 ARG A 22 12.524 -7.934 -1.919 1.00 10.00 H new ATOM 0 HH22 ARG A 22 13.445 -8.539 -3.300 1.00 10.00 H new ATOM 263 N SER A 23 5.448 -6.047 -1.494 1.00 10.00 N ATOM 264 CA SER A 23 5.510 -6.760 -0.259 1.00 10.00 C ATOM 265 C SER A 23 5.090 -8.178 -0.449 1.00 10.00 C ATOM 266 O SER A 23 4.157 -8.457 -1.139 1.00 10.00 O ATOM 267 CB SER A 23 4.739 -6.109 0.890 1.00 10.00 C ATOM 268 OG SER A 23 5.362 -4.951 1.344 1.00 10.00 O ATOM 0 H SER A 23 4.732 -6.378 -2.140 1.00 10.00 H new ATOM 0 HA SER A 23 6.556 -6.727 0.045 1.00 10.00 H new ATOM 0 HB2 SER A 23 3.728 -5.871 0.560 1.00 10.00 H new ATOM 0 HB3 SER A 23 4.647 -6.818 1.713 1.00 10.00 H new ATOM 0 HG SER A 23 5.366 -4.280 0.630 1.00 10.00 H new ATOM 274 N LEU A 24 5.769 -9.059 0.172 1.00 10.00 N ATOM 275 CA LEU A 24 5.473 -10.476 0.045 1.00 10.00 C ATOM 276 C LEU A 24 4.471 -10.940 1.112 1.00 10.00 C ATOM 277 O LEU A 24 4.568 -12.040 1.576 1.00 10.00 O ATOM 278 CB LEU A 24 6.795 -11.291 0.078 1.00 10.00 C ATOM 279 CG LEU A 24 7.655 -11.307 -1.218 1.00 10.00 C ATOM 280 CD1 LEU A 24 6.885 -11.897 -2.384 1.00 10.00 C ATOM 281 CD2 LEU A 24 8.172 -9.921 -1.579 1.00 10.00 C ATOM 0 H LEU A 24 6.552 -8.845 0.790 1.00 10.00 H new ATOM 0 HA LEU A 24 4.992 -10.653 -0.917 1.00 10.00 H new ATOM 0 HB2 LEU A 24 7.412 -10.901 0.887 1.00 10.00 H new ATOM 0 HB3 LEU A 24 6.550 -12.322 0.333 1.00 10.00 H new ATOM 0 HG LEU A 24 8.517 -11.942 -1.012 1.00 10.00 H new ATOM 0 HD11 LEU A 24 7.514 -11.894 -3.274 1.00 10.00 H new ATOM 0 HD12 LEU A 24 6.595 -12.921 -2.148 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.991 -11.301 -2.569 1.00 10.00 H new ATOM 0 HD21 LEU A 24 8.767 -9.981 -2.490 1.00 10.00 H new ATOM 0 HD22 LEU A 24 7.329 -9.249 -1.739 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.790 -9.540 -0.766 1.00 10.00 H new ATOM 293 N ALA A 25 3.475 -10.045 1.406 1.00 10.00 N ATOM 294 CA ALA A 25 2.387 -10.162 2.457 1.00 10.00 C ATOM 295 C ALA A 25 2.466 -11.377 3.389 1.00 10.00 C ATOM 296 O ALA A 25 2.347 -12.516 2.945 1.00 10.00 O ATOM 297 CB ALA A 25 1.018 -10.071 1.821 1.00 10.00 C ATOM 0 H ALA A 25 3.398 -9.168 0.890 1.00 10.00 H new ATOM 0 HA ALA A 25 2.565 -9.311 3.114 1.00 10.00 H new ATOM 0 HB1 ALA A 25 0.252 -10.157 2.592 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.916 -9.112 1.313 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.898 -10.878 1.099 1.00 10.00 H new ATOM 303 N ALA A 26 2.590 -11.117 4.693 1.00 10.00 N ATOM 304 CA ALA A 26 2.759 -12.142 5.645 1.00 10.00 C ATOM 305 C ALA A 26 1.451 -12.886 5.832 1.00 10.00 C ATOM 306 O ALA A 26 0.442 -12.300 6.196 1.00 10.00 O ATOM 307 CB ALA A 26 3.245 -11.554 6.964 1.00 10.00 C ATOM 0 H ALA A 26 2.572 -10.177 5.088 1.00 10.00 H new ATOM 0 HA ALA A 26 3.511 -12.847 5.290 1.00 10.00 H new ATOM 0 HB1 ALA A 26 3.373 -12.354 7.694 1.00 10.00 H new ATOM 0 HB2 ALA A 26 4.198 -11.049 6.808 1.00 10.00 H new ATOM 0 HB3 ALA A 26 2.512 -10.838 7.335 1.00 10.00 H new ATOM 313 N PRO A 27 1.447 -14.172 5.568 1.00 10.00 N ATOM 314 CA PRO A 27 0.255 -15.045 5.718 1.00 10.00 C ATOM 315 C PRO A 27 -0.178 -15.228 7.174 1.00 10.00 C ATOM 316 O PRO A 27 -1.157 -15.898 7.477 1.00 10.00 O ATOM 317 CB PRO A 27 0.763 -16.364 5.163 1.00 10.00 C ATOM 318 CG PRO A 27 2.223 -16.282 5.420 1.00 10.00 C ATOM 319 CD PRO A 27 2.591 -14.932 5.030 1.00 10.00 C ATOM 0 HA PRO A 27 -0.623 -14.634 5.220 1.00 10.00 H new ATOM 0 HB2 PRO A 27 0.310 -17.217 5.667 1.00 10.00 H new ATOM 0 HB3 PRO A 27 0.544 -16.468 4.100 1.00 10.00 H new ATOM 0 HG2 PRO A 27 2.451 -16.467 6.470 1.00 10.00 H new ATOM 0 HG3 PRO A 27 2.770 -17.025 4.839 1.00 10.00 H new ATOM 0 HD2 PRO A 27 3.539 -14.619 5.468 1.00 10.00 H new ATOM 0 HD3 PRO A 27 2.688 -14.825 3.950 1.00 10.00 H new ATOM 327 N ASP A 28 0.539 -14.619 8.041 1.00 10.00 N ATOM 328 CA ASP A 28 0.302 -14.723 9.466 1.00 10.00 C ATOM 329 C ASP A 28 -0.285 -13.436 10.004 1.00 10.00 C ATOM 330 O ASP A 28 -0.300 -13.204 11.205 1.00 10.00 O ATOM 331 CB ASP A 28 1.589 -15.093 10.215 1.00 10.00 C ATOM 332 CG ASP A 28 2.692 -14.078 10.051 1.00 10.00 C ATOM 333 OD1 ASP A 28 3.324 -14.061 8.974 1.00 10.00 O ATOM 334 OD2 ASP A 28 2.974 -13.305 11.000 1.00 10.00 O ATOM 0 H ASP A 28 1.326 -14.018 7.796 1.00 10.00 H new ATOM 0 HA ASP A 28 -0.420 -15.523 9.631 1.00 10.00 H new ATOM 0 HB2 ASP A 28 1.364 -15.205 11.276 1.00 10.00 H new ATOM 0 HB3 ASP A 28 1.941 -16.061 9.860 1.00 10.00 H new ATOM 339 N LEU A 29 -0.799 -12.613 9.112 1.00 10.00 N ATOM 340 CA LEU A 29 -1.399 -11.355 9.501 1.00 10.00 C ATOM 341 C LEU A 29 -2.856 -11.506 9.845 1.00 10.00 C ATOM 342 O LEU A 29 -3.485 -12.549 9.585 1.00 10.00 O ATOM 343 CB LEU A 29 -1.296 -10.328 8.392 1.00 10.00 C ATOM 344 CG LEU A 29 0.085 -9.924 7.964 1.00 10.00 C ATOM 345 CD1 LEU A 29 -0.005 -8.886 6.877 1.00 10.00 C ATOM 346 CD2 LEU A 29 0.891 -9.418 9.144 1.00 10.00 C ATOM 0 H LEU A 29 -0.812 -12.795 8.108 1.00 10.00 H new ATOM 0 HA LEU A 29 -0.846 -11.023 10.380 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.821 -10.718 7.520 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -1.828 -9.431 8.710 1.00 10.00 H new ATOM 0 HG LEU A 29 0.604 -10.797 7.568 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.999 -8.595 6.568 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.542 -9.299 6.023 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -0.537 -8.012 7.252 1.00 10.00 H new ATOM 0 HD21 LEU A 29 1.888 -9.132 8.808 1.00 10.00 H new ATOM 0 HD22 LEU A 29 0.393 -8.553 9.581 1.00 10.00 H new ATOM 0 HD23 LEU A 29 0.973 -10.206 9.893 1.00 10.00 H new ATOM 358 N THR A 30 -3.381 -10.472 10.417 1.00 10.00 N ATOM 359 CA THR A 30 -4.749 -10.355 10.719 1.00 10.00 C ATOM 360 C THR A 30 -5.431 -9.385 9.803 1.00 10.00 C ATOM 361 O THR A 30 -5.017 -8.232 9.685 1.00 10.00 O ATOM 362 CB THR A 30 -4.920 -9.910 12.119 1.00 10.00 C ATOM 363 OG1 THR A 30 -3.750 -9.203 12.572 1.00 10.00 O ATOM 364 CG2 THR A 30 -5.249 -11.064 12.997 1.00 10.00 C ATOM 0 H THR A 30 -2.834 -9.657 10.694 1.00 10.00 H new ATOM 0 HA THR A 30 -5.205 -11.336 10.582 1.00 10.00 H new ATOM 0 HB THR A 30 -5.758 -9.215 12.168 1.00 10.00 H new ATOM 0 HG1 THR A 30 -4.015 -8.504 13.206 1.00 10.00 H new ATOM 0 HG21 THR A 30 -5.371 -10.717 14.023 1.00 10.00 H new ATOM 0 HG22 THR A 30 -6.176 -11.527 12.658 1.00 10.00 H new ATOM 0 HG23 THR A 30 -4.442 -11.795 12.955 1.00 10.00 H new ATOM 372 N LEU A 31 -6.468 -9.862 9.159 1.00 10.00 N ATOM 373 CA LEU A 31 -7.298 -9.096 8.241 1.00 10.00 C ATOM 374 C LEU A 31 -7.785 -7.840 8.879 1.00 10.00 C ATOM 375 O LEU A 31 -7.773 -6.805 8.242 1.00 10.00 O ATOM 376 CB LEU A 31 -8.493 -9.915 7.878 1.00 10.00 C ATOM 377 CG LEU A 31 -9.435 -9.354 6.812 1.00 10.00 C ATOM 378 CD1 LEU A 31 -8.777 -9.355 5.441 1.00 10.00 C ATOM 379 CD2 LEU A 31 -10.737 -10.129 6.801 1.00 10.00 C ATOM 0 H LEU A 31 -6.774 -10.830 9.259 1.00 10.00 H new ATOM 0 HA LEU A 31 -6.700 -8.847 7.365 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -8.142 -10.890 7.538 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -9.074 -10.084 8.785 1.00 10.00 H new ATOM 0 HG LEU A 31 -9.659 -8.317 7.062 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -9.471 -8.951 4.704 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -7.878 -8.740 5.469 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -8.510 -10.375 5.166 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -11.398 -9.719 6.038 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -10.535 -11.177 6.581 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -11.216 -10.049 7.777 1.00 10.00 H new ATOM 391 N ARG A 32 -8.166 -7.906 10.150 1.00 10.00 N ATOM 392 CA ARG A 32 -8.717 -6.730 10.800 1.00 10.00 C ATOM 393 C ARG A 32 -7.681 -5.624 10.843 1.00 10.00 C ATOM 394 O ARG A 32 -8.007 -4.455 10.728 1.00 10.00 O ATOM 395 CB ARG A 32 -9.231 -7.012 12.203 1.00 10.00 C ATOM 396 CG ARG A 32 -9.911 -5.797 12.824 1.00 10.00 C ATOM 397 CD ARG A 32 -11.227 -5.466 12.117 1.00 10.00 C ATOM 398 NE ARG A 32 -11.863 -4.275 12.689 1.00 10.00 N ATOM 399 CZ ARG A 32 -12.722 -3.472 12.049 1.00 10.00 C ATOM 400 NH1 ARG A 32 -13.157 -3.776 10.821 1.00 10.00 N ATOM 401 NH2 ARG A 32 -13.165 -2.376 12.656 1.00 10.00 N ATOM 0 H ARG A 32 -8.105 -8.739 10.735 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.574 -6.416 10.205 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -9.936 -7.843 12.169 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -8.400 -7.324 12.836 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -10.102 -5.987 13.880 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -9.242 -4.938 12.770 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -11.040 -5.305 11.055 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -11.906 -6.315 12.195 1.00 10.00 H new ATOM 0 HE ARG A 32 -11.632 -4.039 13.654 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -12.834 -4.628 10.362 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -13.811 -3.156 10.344 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -12.850 -2.153 13.600 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -13.820 -1.757 12.177 1.00 10.00 H new ATOM 415 N ASP A 33 -6.440 -6.010 10.939 1.00 10.00 N ATOM 416 CA ASP A 33 -5.366 -5.067 10.963 1.00 10.00 C ATOM 417 C ASP A 33 -5.134 -4.496 9.586 1.00 10.00 C ATOM 418 O ASP A 33 -4.783 -3.341 9.471 1.00 10.00 O ATOM 419 CB ASP A 33 -4.102 -5.661 11.581 1.00 10.00 C ATOM 420 CG ASP A 33 -4.291 -5.967 13.053 1.00 10.00 C ATOM 421 OD1 ASP A 33 -4.837 -7.035 13.384 1.00 10.00 O ATOM 422 OD2 ASP A 33 -3.915 -5.148 13.896 1.00 10.00 O ATOM 0 H ASP A 33 -6.148 -6.985 11.002 1.00 10.00 H new ATOM 0 HA ASP A 33 -5.650 -4.239 11.612 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -3.832 -6.574 11.051 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -3.274 -4.964 11.457 1.00 10.00 H new ATOM 427 N LEU A 34 -5.411 -5.283 8.515 1.00 10.00 N ATOM 428 CA LEU A 34 -5.314 -4.711 7.147 1.00 10.00 C ATOM 429 C LEU A 34 -6.369 -3.705 6.964 1.00 10.00 C ATOM 430 O LEU A 34 -6.157 -2.664 6.382 1.00 10.00 O ATOM 431 CB LEU A 34 -5.416 -5.725 5.979 1.00 10.00 C ATOM 432 CG LEU A 34 -4.237 -6.651 5.700 1.00 10.00 C ATOM 433 CD1 LEU A 34 -2.953 -5.874 5.461 1.00 10.00 C ATOM 434 CD2 LEU A 34 -4.087 -7.610 6.805 1.00 10.00 C ATOM 0 H LEU A 34 -5.689 -6.263 8.563 1.00 10.00 H new ATOM 0 HA LEU A 34 -4.309 -4.292 7.097 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -6.290 -6.350 6.161 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -5.613 -5.159 5.068 1.00 10.00 H new ATOM 0 HG LEU A 34 -4.442 -7.202 4.782 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -2.137 -6.570 5.266 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -3.081 -5.215 4.602 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -2.719 -5.278 6.343 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -3.244 -8.270 6.602 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -3.909 -7.069 7.734 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -4.997 -8.203 6.899 1.00 10.00 H new ATOM 446 N LEU A 35 -7.503 -4.003 7.487 1.00 10.00 N ATOM 447 CA LEU A 35 -8.659 -3.153 7.278 1.00 10.00 C ATOM 448 C LEU A 35 -8.650 -2.010 8.275 1.00 10.00 C ATOM 449 O LEU A 35 -9.458 -1.091 8.209 1.00 10.00 O ATOM 450 CB LEU A 35 -9.941 -3.979 7.347 1.00 10.00 C ATOM 451 CG LEU A 35 -9.853 -5.402 6.737 1.00 10.00 C ATOM 452 CD1 LEU A 35 -11.185 -6.009 6.526 1.00 10.00 C ATOM 453 CD2 LEU A 35 -8.988 -5.482 5.487 1.00 10.00 C ATOM 0 H LEU A 35 -7.674 -4.825 8.066 1.00 10.00 H new ATOM 0 HA LEU A 35 -8.616 -2.713 6.282 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -10.239 -4.068 8.392 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -10.733 -3.432 6.835 1.00 10.00 H new ATOM 0 HG LEU A 35 -9.340 -6.001 7.489 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -11.068 -7.004 6.097 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -11.706 -6.084 7.481 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -11.765 -5.387 5.844 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -8.975 -6.508 5.119 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.397 -4.826 4.719 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -7.972 -5.170 5.727 1.00 10.00 H new ATOM 465 N ASP A 36 -7.782 -2.107 9.235 1.00 10.00 N ATOM 466 CA ASP A 36 -7.478 -0.935 10.049 1.00 10.00 C ATOM 467 C ASP A 36 -6.550 -0.058 9.243 1.00 10.00 C ATOM 468 O ASP A 36 -6.765 1.146 9.120 1.00 10.00 O ATOM 469 CB ASP A 36 -6.814 -1.266 11.371 1.00 10.00 C ATOM 470 CG ASP A 36 -6.592 -0.008 12.193 1.00 10.00 C ATOM 471 OD1 ASP A 36 -5.524 0.643 12.062 1.00 10.00 O ATOM 472 OD2 ASP A 36 -7.499 0.352 12.977 1.00 10.00 O ATOM 0 H ASP A 36 -7.274 -2.956 9.483 1.00 10.00 H new ATOM 0 HA ASP A 36 -8.419 -0.443 10.294 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -7.435 -1.966 11.930 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -5.860 -1.761 11.190 1.00 10.00 H new ATOM 477 N ILE A 37 -5.526 -0.699 8.666 1.00 10.00 N ATOM 478 CA ILE A 37 -4.560 -0.063 7.777 1.00 10.00 C ATOM 479 C ILE A 37 -5.259 0.747 6.708 1.00 10.00 C ATOM 480 O ILE A 37 -4.938 1.905 6.521 1.00 10.00 O ATOM 481 CB ILE A 37 -3.633 -1.119 7.107 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.606 -1.643 8.095 1.00 10.00 C ATOM 483 CG2 ILE A 37 -2.936 -0.575 5.850 1.00 10.00 C ATOM 484 CD1 ILE A 37 -1.991 -2.929 7.664 1.00 10.00 C ATOM 0 H ILE A 37 -5.347 -1.693 8.810 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.950 0.604 8.386 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.274 -1.943 6.792 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -1.822 -0.897 8.226 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -3.081 -1.781 9.066 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.302 -1.351 5.421 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -3.687 -0.275 5.119 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.325 0.287 6.117 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.266 -3.253 8.410 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -2.768 -3.687 7.560 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -1.489 -2.789 6.707 1.00 10.00 H new ATOM 496 N VAL A 38 -6.222 0.132 6.024 1.00 10.00 N ATOM 497 CA VAL A 38 -6.974 0.787 4.980 1.00 10.00 C ATOM 498 C VAL A 38 -7.574 2.130 5.475 1.00 10.00 C ATOM 499 O VAL A 38 -7.402 3.175 4.839 1.00 10.00 O ATOM 500 CB VAL A 38 -8.070 -0.166 4.369 1.00 10.00 C ATOM 501 CG1 VAL A 38 -7.496 -1.480 3.928 1.00 10.00 C ATOM 502 CG2 VAL A 38 -9.300 -0.356 5.235 1.00 10.00 C ATOM 0 H VAL A 38 -6.496 -0.837 6.186 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.281 1.025 4.173 1.00 10.00 H new ATOM 0 HB VAL A 38 -8.425 0.362 3.484 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -8.289 -2.103 3.514 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -6.735 -1.308 3.167 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -7.046 -1.986 4.782 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -9.998 -1.027 4.734 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -9.008 -0.787 6.193 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -9.780 0.608 5.402 1.00 10.00 H new ATOM 512 N GLU A 39 -8.142 2.103 6.665 1.00 10.00 N ATOM 513 CA GLU A 39 -8.769 3.251 7.264 1.00 10.00 C ATOM 514 C GLU A 39 -7.741 4.285 7.682 1.00 10.00 C ATOM 515 O GLU A 39 -7.879 5.478 7.358 1.00 10.00 O ATOM 516 CB GLU A 39 -9.599 2.813 8.457 1.00 10.00 C ATOM 517 CG GLU A 39 -10.783 1.944 8.085 1.00 10.00 C ATOM 518 CD GLU A 39 -11.754 2.653 7.179 1.00 10.00 C ATOM 519 OE1 GLU A 39 -12.594 3.423 7.687 1.00 10.00 O ATOM 520 OE2 GLU A 39 -11.708 2.450 5.953 1.00 10.00 O ATOM 0 H GLU A 39 -8.178 1.266 7.247 1.00 10.00 H new ATOM 0 HA GLU A 39 -9.420 3.716 6.523 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -8.961 2.266 9.152 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -9.959 3.697 8.983 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -10.426 1.039 7.593 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -11.299 1.631 8.992 1.00 10.00 H new ATOM 527 N THR A 40 -6.715 3.825 8.363 1.00 10.00 N ATOM 528 CA THR A 40 -5.644 4.660 8.848 1.00 10.00 C ATOM 529 C THR A 40 -4.863 5.315 7.676 1.00 10.00 C ATOM 530 O THR A 40 -4.466 6.486 7.760 1.00 10.00 O ATOM 531 CB THR A 40 -4.717 3.817 9.772 1.00 10.00 C ATOM 532 OG1 THR A 40 -5.538 3.229 10.819 1.00 10.00 O ATOM 533 CG2 THR A 40 -3.637 4.686 10.419 1.00 10.00 C ATOM 0 H THR A 40 -6.602 2.839 8.599 1.00 10.00 H new ATOM 0 HA THR A 40 -6.061 5.480 9.432 1.00 10.00 H new ATOM 0 HB THR A 40 -4.224 3.050 9.175 1.00 10.00 H new ATOM 0 HG1 THR A 40 -5.222 2.321 11.011 1.00 10.00 H new ATOM 0 HG21 THR A 40 -3.007 4.067 11.058 1.00 10.00 H new ATOM 0 HG22 THR A 40 -3.026 5.146 9.642 1.00 10.00 H new ATOM 0 HG23 THR A 40 -4.108 5.465 11.019 1.00 10.00 H new ATOM 541 N SER A 41 -4.710 4.576 6.578 1.00 10.00 N ATOM 542 CA SER A 41 -4.023 5.066 5.398 1.00 10.00 C ATOM 543 C SER A 41 -4.802 6.193 4.731 1.00 10.00 C ATOM 544 O SER A 41 -4.248 7.243 4.489 1.00 10.00 O ATOM 545 CB SER A 41 -3.754 3.929 4.410 1.00 10.00 C ATOM 546 OG SER A 41 -2.936 2.930 5.012 1.00 10.00 O ATOM 0 H SER A 41 -5.061 3.622 6.488 1.00 10.00 H new ATOM 0 HA SER A 41 -3.063 5.471 5.718 1.00 10.00 H new ATOM 0 HB2 SER A 41 -4.697 3.489 4.087 1.00 10.00 H new ATOM 0 HB3 SER A 41 -3.263 4.321 3.519 1.00 10.00 H new ATOM 0 HG SER A 41 -3.452 2.453 5.695 1.00 10.00 H new ATOM 552 N GLN A 42 -6.097 5.973 4.481 1.00 10.00 N ATOM 553 CA GLN A 42 -6.974 6.990 3.848 1.00 10.00 C ATOM 554 C GLN A 42 -6.918 8.295 4.576 1.00 10.00 C ATOM 555 O GLN A 42 -6.623 9.335 4.000 1.00 10.00 O ATOM 556 CB GLN A 42 -8.404 6.516 3.881 1.00 10.00 C ATOM 557 CG GLN A 42 -8.691 5.424 2.918 1.00 10.00 C ATOM 558 CD GLN A 42 -9.913 4.623 3.254 1.00 10.00 C ATOM 559 OE1 GLN A 42 -10.603 4.128 2.371 1.00 10.00 O ATOM 560 NE2 GLN A 42 -10.182 4.465 4.512 1.00 10.00 N ATOM 0 H GLN A 42 -6.572 5.099 4.705 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.623 7.129 2.825 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.641 6.172 4.888 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -9.062 7.359 3.669 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.812 5.853 1.923 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.831 4.756 2.875 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.584 4.893 5.219 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -10.992 3.913 4.795 1.00 10.00 H new ATOM 569 N ALA A 43 -7.139 8.203 5.857 1.00 10.00 N ATOM 570 CA ALA A 43 -7.232 9.341 6.723 1.00 10.00 C ATOM 571 C ALA A 43 -5.905 10.105 6.824 1.00 10.00 C ATOM 572 O ALA A 43 -5.884 11.311 7.085 1.00 10.00 O ATOM 573 CB ALA A 43 -7.740 8.871 8.068 1.00 10.00 C ATOM 0 H ALA A 43 -7.262 7.312 6.338 1.00 10.00 H new ATOM 0 HA ALA A 43 -7.937 10.061 6.307 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -7.819 9.722 8.745 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -8.721 8.412 7.946 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -7.047 8.140 8.484 1.00 10.00 H new ATOM 579 N HIS A 44 -4.813 9.414 6.571 1.00 10.00 N ATOM 580 CA HIS A 44 -3.503 10.024 6.626 1.00 10.00 C ATOM 581 C HIS A 44 -3.145 10.567 5.256 1.00 10.00 C ATOM 582 O HIS A 44 -2.565 11.641 5.139 1.00 10.00 O ATOM 583 CB HIS A 44 -2.461 9.001 7.050 1.00 10.00 C ATOM 584 CG HIS A 44 -1.147 9.583 7.481 1.00 10.00 C ATOM 585 ND1 HIS A 44 -0.920 10.020 8.749 1.00 10.00 N ATOM 586 CD2 HIS A 44 0.015 9.783 6.807 1.00 10.00 C ATOM 587 CE1 HIS A 44 0.302 10.464 8.844 1.00 10.00 C ATOM 588 NE2 HIS A 44 0.897 10.330 7.692 1.00 10.00 N ATOM 0 H HIS A 44 -4.808 8.424 6.324 1.00 10.00 H new ATOM 0 HA HIS A 44 -3.520 10.834 7.355 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -2.867 8.409 7.870 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -2.285 8.317 6.220 1.00 10.00 H new ATOM 0 HD2 HIS A 44 0.204 9.553 5.769 1.00 10.00 H new ATOM 0 HE1 HIS A 44 0.750 10.877 9.736 1.00 10.00 H new ATOM 0 HE2 HIS A 44 1.861 10.591 7.487 1.00 10.00 H new ATOM 597 N ASN A 45 -3.495 9.818 4.232 1.00 10.00 N ATOM 598 CA ASN A 45 -3.221 10.191 2.854 1.00 10.00 C ATOM 599 C ASN A 45 -3.994 11.395 2.451 1.00 10.00 C ATOM 600 O ASN A 45 -3.434 12.304 1.886 1.00 10.00 O ATOM 601 CB ASN A 45 -3.444 9.033 1.872 1.00 10.00 C ATOM 602 CG ASN A 45 -2.301 8.039 1.868 1.00 10.00 C ATOM 603 OD1 ASN A 45 -1.608 7.874 2.857 1.00 10.00 O ATOM 604 ND2 ASN A 45 -2.089 7.383 0.758 1.00 10.00 N ATOM 0 H ASN A 45 -3.981 8.927 4.329 1.00 10.00 H new ATOM 0 HA ASN A 45 -2.161 10.441 2.808 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -4.368 8.516 2.131 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -3.574 9.435 0.867 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -1.325 6.710 0.702 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -2.688 7.544 -0.052 1.00 10.00 H new ATOM 611 N ALA A 46 -5.271 11.426 2.783 1.00 10.00 N ATOM 612 CA ALA A 46 -6.112 12.581 2.497 1.00 10.00 C ATOM 613 C ALA A 46 -5.543 13.812 3.185 1.00 10.00 C ATOM 614 O ALA A 46 -5.496 14.902 2.616 1.00 10.00 O ATOM 615 CB ALA A 46 -7.525 12.332 2.986 1.00 10.00 C ATOM 0 H ALA A 46 -5.754 10.661 3.254 1.00 10.00 H new ATOM 0 HA ALA A 46 -6.133 12.745 1.420 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -8.144 13.202 2.767 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.936 11.458 2.481 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.512 12.157 4.062 1.00 10.00 H new ATOM 621 N ARG A 47 -5.052 13.602 4.391 1.00 10.00 N ATOM 622 CA ARG A 47 -4.496 14.659 5.191 1.00 10.00 C ATOM 623 C ARG A 47 -3.207 15.167 4.585 1.00 10.00 C ATOM 624 O ARG A 47 -3.049 16.365 4.341 1.00 10.00 O ATOM 625 CB ARG A 47 -4.229 14.145 6.576 1.00 10.00 C ATOM 626 CG ARG A 47 -3.946 15.215 7.610 1.00 10.00 C ATOM 627 CD ARG A 47 -3.754 14.588 8.968 1.00 10.00 C ATOM 628 NE ARG A 47 -4.929 13.793 9.363 1.00 10.00 N ATOM 629 CZ ARG A 47 -5.005 12.998 10.441 1.00 10.00 C ATOM 630 NH1 ARG A 47 -3.983 12.887 11.279 1.00 10.00 N ATOM 631 NH2 ARG A 47 -6.110 12.312 10.673 1.00 10.00 N ATOM 0 H ARG A 47 -5.031 12.686 4.839 1.00 10.00 H new ATOM 0 HA ARG A 47 -5.210 15.482 5.229 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -5.090 13.562 6.904 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.379 13.464 6.537 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -3.053 15.775 7.330 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -4.771 15.927 7.643 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -2.870 13.951 8.955 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -3.574 15.368 9.708 1.00 10.00 H new ATOM 0 HE ARG A 47 -5.755 13.852 8.767 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -3.124 13.410 11.108 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -4.056 12.279 12.094 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -6.901 12.388 10.034 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -6.172 11.706 11.491 1.00 10.00 H new ATOM 645 N ALA A 48 -2.296 14.262 4.306 1.00 10.00 N ATOM 646 CA ALA A 48 -1.021 14.662 3.788 1.00 10.00 C ATOM 647 C ALA A 48 -1.069 14.976 2.274 1.00 10.00 C ATOM 648 O ALA A 48 -0.075 15.432 1.704 1.00 10.00 O ATOM 649 CB ALA A 48 0.058 13.653 4.135 1.00 10.00 C ATOM 0 H ALA A 48 -2.418 13.257 4.430 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.756 15.598 4.279 1.00 10.00 H new ATOM 0 HB1 ALA A 48 1.012 13.986 3.727 1.00 10.00 H new ATOM 0 HB2 ALA A 48 0.137 13.563 5.218 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.200 12.684 3.709 1.00 10.00 H new ATOM 655 N GLN A 49 -2.257 14.750 1.652 1.00 10.00 N ATOM 656 CA GLN A 49 -2.551 15.043 0.212 1.00 10.00 C ATOM 657 C GLN A 49 -1.912 14.017 -0.710 1.00 10.00 C ATOM 658 O GLN A 49 -1.676 14.248 -1.906 1.00 10.00 O ATOM 659 CB GLN A 49 -2.174 16.472 -0.138 1.00 10.00 C ATOM 660 CG GLN A 49 -2.924 17.444 0.682 1.00 10.00 C ATOM 661 CD GLN A 49 -2.023 18.448 1.343 1.00 10.00 C ATOM 662 OE1 GLN A 49 -1.736 19.512 0.791 1.00 10.00 O ATOM 663 NE2 GLN A 49 -1.595 18.132 2.544 1.00 10.00 N ATOM 0 H GLN A 49 -3.057 14.351 2.143 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.626 14.955 0.058 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.104 16.615 0.014 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.374 16.654 -1.194 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.646 17.965 0.054 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.492 16.911 1.445 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -1.859 17.239 2.961 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -0.999 18.779 3.060 1.00 10.00 H new ATOM 672 N LEU A 50 -1.711 12.880 -0.135 1.00 10.00 N ATOM 673 CA LEU A 50 -1.147 11.714 -0.763 1.00 10.00 C ATOM 674 C LEU A 50 -2.214 10.872 -1.439 1.00 10.00 C ATOM 675 O LEU A 50 -3.261 10.587 -0.862 1.00 10.00 O ATOM 676 CB LEU A 50 -0.426 10.891 0.292 1.00 10.00 C ATOM 677 CG LEU A 50 1.026 11.261 0.563 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.224 12.743 0.775 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.561 10.495 1.740 1.00 10.00 C ATOM 0 H LEU A 50 -1.947 12.721 0.844 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.448 12.036 -1.535 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -0.980 10.973 1.227 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.461 9.844 -0.008 1.00 10.00 H new ATOM 0 HG LEU A 50 1.585 10.987 -0.331 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.278 12.946 0.964 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.904 13.284 -0.116 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.633 13.070 1.630 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.600 10.775 1.915 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.968 10.727 2.625 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.503 9.426 1.535 1.00 10.00 H new ATOM 691 N THR A 51 -1.953 10.508 -2.656 1.00 10.00 N ATOM 692 CA THR A 51 -2.820 9.691 -3.436 1.00 10.00 C ATOM 693 C THR A 51 -2.172 8.327 -3.620 1.00 10.00 C ATOM 694 O THR A 51 -0.983 8.199 -3.422 1.00 10.00 O ATOM 695 CB THR A 51 -3.150 10.426 -4.728 1.00 10.00 C ATOM 696 OG1 THR A 51 -1.957 10.772 -5.400 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.839 11.702 -4.335 1.00 10.00 C ATOM 0 H THR A 51 -1.102 10.782 -3.147 1.00 10.00 H new ATOM 0 HA THR A 51 -3.775 9.504 -2.944 1.00 10.00 H new ATOM 0 HB THR A 51 -3.766 9.802 -5.376 1.00 10.00 H new ATOM 0 HG1 THR A 51 -2.050 10.572 -6.355 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.097 12.267 -5.231 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.747 11.469 -3.779 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.173 12.297 -3.710 1.00 10.00 H new ATOM 705 N GLY A 52 -2.935 7.314 -3.907 1.00 10.00 N ATOM 706 CA GLY A 52 -2.394 5.989 -3.789 1.00 10.00 C ATOM 707 C GLY A 52 -3.227 4.931 -4.397 1.00 10.00 C ATOM 708 O GLY A 52 -4.281 5.198 -4.959 1.00 10.00 O ATOM 0 H GLY A 52 -3.905 7.372 -4.216 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.408 5.970 -4.254 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.253 5.761 -2.733 1.00 10.00 H new ATOM 712 N ALA A 53 -2.734 3.744 -4.318 1.00 10.00 N ATOM 713 CA ALA A 53 -3.441 2.544 -4.721 1.00 10.00 C ATOM 714 C ALA A 53 -2.691 1.329 -4.226 1.00 10.00 C ATOM 715 O ALA A 53 -1.473 1.385 -4.020 1.00 10.00 O ATOM 716 CB ALA A 53 -3.717 2.477 -6.219 1.00 10.00 C ATOM 0 H ALA A 53 -1.797 3.559 -3.961 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.427 2.569 -4.258 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.248 1.554 -6.450 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.327 3.330 -6.515 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -2.773 2.499 -6.764 1.00 10.00 H new ATOM 722 N LEU A 54 -3.405 0.257 -4.004 1.00 10.00 N ATOM 723 CA LEU A 54 -2.832 -0.946 -3.479 1.00 10.00 C ATOM 724 C LEU A 54 -3.396 -2.130 -4.216 1.00 10.00 C ATOM 725 O LEU A 54 -4.611 -2.282 -4.325 1.00 10.00 O ATOM 726 CB LEU A 54 -3.134 -1.037 -1.952 1.00 10.00 C ATOM 727 CG LEU A 54 -2.530 -2.210 -1.127 1.00 10.00 C ATOM 728 CD1 LEU A 54 -2.640 -1.910 0.335 1.00 10.00 C ATOM 729 CD2 LEU A 54 -3.220 -3.529 -1.393 1.00 10.00 C ATOM 0 H LEU A 54 -4.407 0.198 -4.185 1.00 10.00 H new ATOM 0 HA LEU A 54 -1.751 -0.940 -3.616 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -2.797 -0.107 -1.495 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -4.217 -1.076 -1.834 1.00 10.00 H new ATOM 0 HG LEU A 54 -1.488 -2.303 -1.434 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -2.216 -2.734 0.908 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -2.095 -0.993 0.560 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -3.689 -1.784 0.603 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -2.757 -4.310 -0.790 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -4.275 -3.447 -1.132 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -3.126 -3.782 -2.449 1.00 10.00 H new ATOM 741 N PHE A 55 -2.521 -2.943 -4.714 1.00 10.00 N ATOM 742 CA PHE A 55 -2.863 -4.184 -5.330 1.00 10.00 C ATOM 743 C PHE A 55 -2.421 -5.277 -4.394 1.00 10.00 C ATOM 744 O PHE A 55 -1.330 -5.205 -3.825 1.00 10.00 O ATOM 745 CB PHE A 55 -2.176 -4.344 -6.690 1.00 10.00 C ATOM 746 CG PHE A 55 -2.621 -3.347 -7.720 1.00 10.00 C ATOM 747 CD1 PHE A 55 -3.751 -3.585 -8.479 1.00 10.00 C ATOM 748 CD2 PHE A 55 -1.914 -2.176 -7.934 1.00 10.00 C ATOM 749 CE1 PHE A 55 -4.168 -2.679 -9.424 1.00 10.00 C ATOM 750 CE2 PHE A 55 -2.328 -1.266 -8.883 1.00 10.00 C ATOM 751 CZ PHE A 55 -3.454 -1.516 -9.628 1.00 10.00 C ATOM 0 H PHE A 55 -1.518 -2.756 -4.703 1.00 10.00 H new ATOM 0 HA PHE A 55 -3.937 -4.227 -5.511 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.098 -4.254 -6.554 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -2.367 -5.349 -7.066 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -4.313 -4.495 -8.327 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -1.028 -1.973 -7.351 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -5.055 -2.877 -10.007 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -1.767 -0.357 -9.041 1.00 10.00 H new ATOM 0 HZ PHE A 55 -3.780 -0.804 -10.372 1.00 10.00 H new ATOM 761 N TYR A 56 -3.256 -6.233 -4.187 1.00 10.00 N ATOM 762 CA TYR A 56 -2.961 -7.313 -3.295 1.00 10.00 C ATOM 763 C TYR A 56 -3.594 -8.535 -3.910 1.00 10.00 C ATOM 764 O TYR A 56 -4.808 -8.584 -4.074 1.00 10.00 O ATOM 765 CB TYR A 56 -3.576 -7.009 -1.900 1.00 10.00 C ATOM 766 CG TYR A 56 -3.216 -7.951 -0.746 1.00 10.00 C ATOM 767 CD1 TYR A 56 -2.758 -9.252 -0.957 1.00 10.00 C ATOM 768 CD2 TYR A 56 -3.361 -7.521 0.569 1.00 10.00 C ATOM 769 CE1 TYR A 56 -2.456 -10.090 0.095 1.00 10.00 C ATOM 770 CE2 TYR A 56 -3.057 -8.357 1.632 1.00 10.00 C ATOM 771 CZ TYR A 56 -2.608 -9.639 1.388 1.00 10.00 C ATOM 772 OH TYR A 56 -2.305 -10.474 2.443 1.00 10.00 O ATOM 0 H TYR A 56 -4.172 -6.294 -4.632 1.00 10.00 H new ATOM 0 HA TYR A 56 -1.890 -7.459 -3.155 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -3.280 -6.000 -1.615 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.661 -7.005 -2.005 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -2.637 -9.611 -1.968 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -3.716 -6.520 0.765 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -2.103 -11.093 -0.093 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -3.171 -8.007 2.647 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.465 -10.005 3.288 1.00 10.00 H new ATOM 782 N SER A 57 -2.794 -9.476 -4.280 1.00 10.00 N ATOM 783 CA SER A 57 -3.287 -10.656 -4.919 1.00 10.00 C ATOM 784 C SER A 57 -2.424 -11.834 -4.552 1.00 10.00 C ATOM 785 O SER A 57 -1.204 -11.677 -4.427 1.00 10.00 O ATOM 786 CB SER A 57 -3.292 -10.433 -6.433 1.00 10.00 C ATOM 787 OG SER A 57 -2.011 -9.979 -6.884 1.00 10.00 O ATOM 0 H SER A 57 -1.783 -9.453 -4.150 1.00 10.00 H new ATOM 0 HA SER A 57 -4.304 -10.866 -4.587 1.00 10.00 H new ATOM 0 HB2 SER A 57 -3.553 -11.361 -6.941 1.00 10.00 H new ATOM 0 HB3 SER A 57 -4.055 -9.700 -6.695 1.00 10.00 H new ATOM 0 HG SER A 57 -2.035 -9.844 -7.854 1.00 10.00 H new ATOM 793 N GLN A 58 -3.051 -12.988 -4.363 1.00 10.00 N ATOM 794 CA GLN A 58 -2.390 -14.241 -4.034 1.00 10.00 C ATOM 795 C GLN A 58 -1.697 -14.165 -2.659 1.00 10.00 C ATOM 796 O GLN A 58 -2.277 -14.558 -1.652 1.00 10.00 O ATOM 797 CB GLN A 58 -1.442 -14.671 -5.183 1.00 10.00 C ATOM 798 CG GLN A 58 -0.801 -16.029 -5.024 1.00 10.00 C ATOM 799 CD GLN A 58 -1.807 -17.139 -4.861 1.00 10.00 C ATOM 800 OE1 GLN A 58 -2.940 -17.066 -5.350 1.00 10.00 O ATOM 801 NE2 GLN A 58 -1.406 -18.176 -4.191 1.00 10.00 N ATOM 0 H GLN A 58 -4.064 -13.079 -4.437 1.00 10.00 H new ATOM 0 HA GLN A 58 -3.141 -15.025 -3.941 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -2.004 -14.661 -6.117 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -0.653 -13.925 -5.278 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -0.179 -16.235 -5.895 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -0.141 -16.014 -4.157 1.00 10.00 H new ATOM 0 HE21 GLN A 58 -0.463 -18.199 -3.803 1.00 10.00 H new ATOM 0 HE22 GLN A 58 -2.034 -18.968 -4.053 1.00 10.00 H new ATOM 810 N GLY A 59 -0.504 -13.630 -2.634 1.00 10.00 N ATOM 811 CA GLY A 59 0.229 -13.438 -1.411 1.00 10.00 C ATOM 812 C GLY A 59 1.202 -12.310 -1.583 1.00 10.00 C ATOM 813 O GLY A 59 2.200 -12.210 -0.873 1.00 10.00 O ATOM 0 H GLY A 59 -0.011 -13.313 -3.469 1.00 10.00 H new ATOM 0 HA2 GLY A 59 -0.458 -13.218 -0.594 1.00 10.00 H new ATOM 0 HA3 GLY A 59 0.759 -14.352 -1.145 1.00 10.00 H new ATOM 817 N VAL A 60 0.928 -11.454 -2.545 1.00 10.00 N ATOM 818 CA VAL A 60 1.812 -10.371 -2.835 1.00 10.00 C ATOM 819 C VAL A 60 1.102 -9.041 -2.786 1.00 10.00 C ATOM 820 O VAL A 60 -0.054 -8.898 -3.213 1.00 10.00 O ATOM 821 CB VAL A 60 2.585 -10.526 -4.190 1.00 10.00 C ATOM 822 CG1 VAL A 60 3.452 -11.773 -4.188 1.00 10.00 C ATOM 823 CG2 VAL A 60 1.640 -10.537 -5.387 1.00 10.00 C ATOM 0 H VAL A 60 0.096 -11.497 -3.134 1.00 10.00 H new ATOM 0 HA VAL A 60 2.562 -10.402 -2.045 1.00 10.00 H new ATOM 0 HB VAL A 60 3.232 -9.654 -4.287 1.00 10.00 H new ATOM 0 HG11 VAL A 60 3.976 -11.854 -5.141 1.00 10.00 H new ATOM 0 HG12 VAL A 60 4.179 -11.709 -3.378 1.00 10.00 H new ATOM 0 HG13 VAL A 60 2.824 -12.652 -4.044 1.00 10.00 H new ATOM 0 HG21 VAL A 60 2.217 -10.646 -6.305 1.00 10.00 H new ATOM 0 HG22 VAL A 60 0.945 -11.371 -5.294 1.00 10.00 H new ATOM 0 HG23 VAL A 60 1.082 -9.601 -5.418 1.00 10.00 H new ATOM 833 N PHE A 61 1.779 -8.118 -2.212 1.00 10.00 N ATOM 834 CA PHE A 61 1.371 -6.749 -2.103 1.00 10.00 C ATOM 835 C PHE A 61 2.085 -5.898 -3.124 1.00 10.00 C ATOM 836 O PHE A 61 3.288 -6.093 -3.364 1.00 10.00 O ATOM 837 CB PHE A 61 1.874 -6.218 -0.798 1.00 10.00 C ATOM 838 CG PHE A 61 0.956 -6.107 0.331 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.215 -5.398 0.222 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.308 -6.643 1.544 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.020 -5.242 1.308 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.521 -6.468 2.631 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.638 -5.772 2.512 1.00 10.00 C ATOM 0 H PHE A 61 2.685 -8.297 -1.778 1.00 10.00 H new ATOM 0 HA PHE A 61 0.288 -6.713 -2.221 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.703 -6.852 -0.484 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.285 -5.226 -0.985 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.497 -4.964 -0.726 1.00 10.00 H new ATOM 0 HD2 PHE A 61 2.223 -7.210 1.632 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -1.953 -4.705 1.221 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.813 -6.879 3.586 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.268 -5.634 3.378 1.00 10.00 H new ATOM 853 N PHE A 62 1.386 -4.962 -3.683 1.00 10.00 N ATOM 854 CA PHE A 62 2.007 -3.905 -4.416 1.00 10.00 C ATOM 855 C PHE A 62 1.280 -2.630 -4.049 1.00 10.00 C ATOM 856 O PHE A 62 0.096 -2.492 -4.321 1.00 10.00 O ATOM 857 CB PHE A 62 2.003 -4.123 -5.936 1.00 10.00 C ATOM 858 CG PHE A 62 2.798 -3.060 -6.662 1.00 10.00 C ATOM 859 CD1 PHE A 62 4.170 -3.189 -6.807 1.00 10.00 C ATOM 860 CD2 PHE A 62 2.182 -1.924 -7.166 1.00 10.00 C ATOM 861 CE1 PHE A 62 4.909 -2.209 -7.438 1.00 10.00 C ATOM 862 CE2 PHE A 62 2.918 -0.944 -7.801 1.00 10.00 C ATOM 863 CZ PHE A 62 4.282 -1.088 -7.937 1.00 10.00 C ATOM 0 H PHE A 62 0.368 -4.909 -3.644 1.00 10.00 H new ATOM 0 HA PHE A 62 3.062 -3.860 -4.147 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.418 -5.105 -6.163 1.00 10.00 H new ATOM 0 HB3 PHE A 62 0.976 -4.120 -6.300 1.00 10.00 H new ATOM 0 HD1 PHE A 62 4.667 -4.067 -6.422 1.00 10.00 H new ATOM 0 HD2 PHE A 62 1.114 -1.805 -7.060 1.00 10.00 H new ATOM 0 HE1 PHE A 62 5.978 -2.321 -7.541 1.00 10.00 H new ATOM 0 HE2 PHE A 62 2.426 -0.065 -8.191 1.00 10.00 H new ATOM 0 HZ PHE A 62 4.859 -0.323 -8.434 1.00 10.00 H new ATOM 873 N GLN A 63 1.964 -1.719 -3.430 1.00 10.00 N ATOM 874 CA GLN A 63 1.322 -0.517 -2.951 1.00 10.00 C ATOM 875 C GLN A 63 2.235 0.636 -3.224 1.00 10.00 C ATOM 876 O GLN A 63 3.445 0.524 -3.002 1.00 10.00 O ATOM 877 CB GLN A 63 1.066 -0.667 -1.433 1.00 10.00 C ATOM 878 CG GLN A 63 0.023 0.280 -0.797 1.00 10.00 C ATOM 879 CD GLN A 63 0.405 1.745 -0.650 1.00 10.00 C ATOM 880 OE1 GLN A 63 -0.451 2.612 -0.684 1.00 10.00 O ATOM 881 NE2 GLN A 63 1.668 2.034 -0.457 1.00 10.00 N ATOM 0 H GLN A 63 2.965 -1.777 -3.241 1.00 10.00 H new ATOM 0 HA GLN A 63 0.369 -0.347 -3.452 1.00 10.00 H new ATOM 0 HB2 GLN A 63 0.751 -1.693 -1.243 1.00 10.00 H new ATOM 0 HB3 GLN A 63 2.014 -0.523 -0.914 1.00 10.00 H new ATOM 0 HG2 GLN A 63 -0.888 0.228 -1.394 1.00 10.00 H new ATOM 0 HG3 GLN A 63 -0.222 -0.105 0.193 1.00 10.00 H new ATOM 0 HE21 GLN A 63 2.364 1.289 -0.433 1.00 10.00 H new ATOM 0 HE22 GLN A 63 1.956 3.004 -0.331 1.00 10.00 H new ATOM 890 N TRP A 64 1.706 1.710 -3.723 1.00 10.00 N ATOM 891 CA TRP A 64 2.502 2.873 -3.910 1.00 10.00 C ATOM 892 C TRP A 64 1.674 4.098 -3.603 1.00 10.00 C ATOM 893 O TRP A 64 0.436 4.017 -3.541 1.00 10.00 O ATOM 894 CB TRP A 64 3.105 2.940 -5.315 1.00 10.00 C ATOM 895 CG TRP A 64 2.260 3.421 -6.431 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.513 4.525 -7.175 1.00 10.00 C ATOM 897 CD2 TRP A 64 1.065 2.852 -6.946 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.578 4.667 -8.133 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.665 3.662 -8.018 1.00 10.00 C ATOM 900 CE3 TRP A 64 0.296 1.747 -6.618 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.462 3.397 -8.763 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -0.831 1.491 -7.351 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.201 2.313 -8.415 1.00 10.00 C ATOM 0 H TRP A 64 0.730 1.801 -4.006 1.00 10.00 H new ATOM 0 HA TRP A 64 3.346 2.829 -3.221 1.00 10.00 H new ATOM 0 HB2 TRP A 64 3.985 3.582 -5.266 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.454 1.940 -5.572 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.346 5.195 -7.021 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.556 5.408 -8.833 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.580 1.101 -5.801 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -0.747 4.027 -9.592 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.444 0.638 -7.101 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.095 2.082 -8.975 1.00 10.00 H new ATOM 914 N LEU A 65 2.323 5.208 -3.425 1.00 10.00 N ATOM 915 CA LEU A 65 1.646 6.429 -3.102 1.00 10.00 C ATOM 916 C LEU A 65 2.317 7.613 -3.758 1.00 10.00 C ATOM 917 O LEU A 65 3.546 7.652 -3.886 1.00 10.00 O ATOM 918 CB LEU A 65 1.559 6.650 -1.582 1.00 10.00 C ATOM 919 CG LEU A 65 2.878 6.678 -0.819 1.00 10.00 C ATOM 920 CD1 LEU A 65 2.694 7.423 0.467 1.00 10.00 C ATOM 921 CD2 LEU A 65 3.392 5.273 -0.510 1.00 10.00 C ATOM 0 H LEU A 65 3.337 5.294 -3.499 1.00 10.00 H new ATOM 0 HA LEU A 65 0.631 6.340 -3.490 1.00 10.00 H new ATOM 0 HB2 LEU A 65 1.043 7.593 -1.404 1.00 10.00 H new ATOM 0 HB3 LEU A 65 0.937 5.861 -1.158 1.00 10.00 H new ATOM 0 HG LEU A 65 3.614 7.175 -1.451 1.00 10.00 H new ATOM 0 HD11 LEU A 65 3.637 7.444 1.014 1.00 10.00 H new ATOM 0 HD12 LEU A 65 2.376 8.443 0.254 1.00 10.00 H new ATOM 0 HD13 LEU A 65 1.935 6.925 1.071 1.00 10.00 H new ATOM 0 HD21 LEU A 65 4.334 5.342 0.034 1.00 10.00 H new ATOM 0 HD22 LEU A 65 2.659 4.743 0.098 1.00 10.00 H new ATOM 0 HD23 LEU A 65 3.550 4.730 -1.442 1.00 10.00 H new ATOM 933 N GLU A 66 1.507 8.555 -4.171 1.00 10.00 N ATOM 934 CA GLU A 66 1.940 9.776 -4.783 1.00 10.00 C ATOM 935 C GLU A 66 1.793 10.865 -3.716 1.00 10.00 C ATOM 936 O GLU A 66 0.703 11.061 -3.183 1.00 10.00 O ATOM 937 CB GLU A 66 0.969 10.156 -5.898 1.00 10.00 C ATOM 938 CG GLU A 66 0.567 9.086 -6.903 1.00 10.00 C ATOM 939 CD GLU A 66 -0.510 9.628 -7.838 1.00 10.00 C ATOM 940 OE1 GLU A 66 -0.186 10.418 -8.732 1.00 10.00 O ATOM 941 OE2 GLU A 66 -1.721 9.330 -7.641 1.00 10.00 O ATOM 0 H GLU A 66 0.493 8.486 -4.085 1.00 10.00 H new ATOM 0 HA GLU A 66 2.954 9.670 -5.169 1.00 10.00 H new ATOM 0 HB2 GLU A 66 0.059 10.532 -5.432 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.409 10.985 -6.453 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.437 8.772 -7.480 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.196 8.205 -6.380 1.00 10.00 H new ATOM 948 N GLY A 67 2.834 11.556 -3.410 1.00 10.00 N ATOM 949 CA GLY A 67 2.737 12.597 -2.427 1.00 10.00 C ATOM 950 C GLY A 67 3.976 13.453 -2.423 1.00 10.00 C ATOM 951 O GLY A 67 4.891 13.169 -3.158 1.00 10.00 O ATOM 0 H GLY A 67 3.760 11.427 -3.818 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.864 13.216 -2.633 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.591 12.158 -1.440 1.00 10.00 H new ATOM 955 N HIS A 68 4.006 14.503 -1.625 1.00 10.00 N ATOM 956 CA HIS A 68 5.234 15.303 -1.466 1.00 10.00 C ATOM 957 C HIS A 68 6.275 14.450 -0.699 1.00 10.00 C ATOM 958 O HIS A 68 5.948 13.927 0.343 1.00 10.00 O ATOM 959 CB HIS A 68 4.925 16.615 -0.703 1.00 10.00 C ATOM 960 CG HIS A 68 6.111 17.366 -0.253 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.655 17.237 1.001 1.00 10.00 N ATOM 962 CD2 HIS A 68 6.854 18.201 -0.893 1.00 10.00 C ATOM 963 CE1 HIS A 68 7.718 17.972 1.092 1.00 10.00 C ATOM 964 NE2 HIS A 68 7.874 18.591 -0.058 1.00 10.00 N ATOM 0 H HIS A 68 3.211 14.830 -1.077 1.00 10.00 H new ATOM 0 HA HIS A 68 5.634 15.576 -2.442 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.327 17.260 -1.347 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.313 16.377 0.167 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.702 18.536 -1.908 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.360 18.060 1.956 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.621 19.246 -0.290 1.00 10.00 H new ATOM 973 N PRO A 69 7.547 14.354 -1.209 1.00 10.00 N ATOM 974 CA PRO A 69 8.620 13.439 -0.722 1.00 10.00 C ATOM 975 C PRO A 69 8.632 13.120 0.774 1.00 10.00 C ATOM 976 O PRO A 69 8.647 11.951 1.159 1.00 10.00 O ATOM 977 CB PRO A 69 9.924 14.141 -1.143 1.00 10.00 C ATOM 978 CG PRO A 69 9.501 15.364 -1.911 1.00 10.00 C ATOM 979 CD PRO A 69 8.071 15.146 -2.307 1.00 10.00 C ATOM 0 HA PRO A 69 8.464 12.451 -1.156 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.521 14.413 -0.272 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.540 13.486 -1.759 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.601 16.260 -1.299 1.00 10.00 H new ATOM 0 HG3 PRO A 69 10.129 15.506 -2.790 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.534 16.088 -2.417 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.991 14.620 -3.258 1.00 10.00 H new ATOM 987 N ALA A 70 8.612 14.123 1.610 1.00 10.00 N ATOM 988 CA ALA A 70 8.683 13.883 3.045 1.00 10.00 C ATOM 989 C ALA A 70 7.435 13.304 3.625 1.00 10.00 C ATOM 990 O ALA A 70 7.486 12.644 4.656 1.00 10.00 O ATOM 991 CB ALA A 70 9.113 15.079 3.800 1.00 10.00 C ATOM 0 H ALA A 70 8.548 15.104 1.338 1.00 10.00 H new ATOM 0 HA ALA A 70 9.455 13.121 3.157 1.00 10.00 H new ATOM 0 HB1 ALA A 70 9.149 14.844 4.864 1.00 10.00 H new ATOM 0 HB2 ALA A 70 10.103 15.386 3.463 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.405 15.890 3.631 1.00 10.00 H new ATOM 997 N ALA A 71 6.341 13.533 3.000 1.00 10.00 N ATOM 998 CA ALA A 71 5.116 12.938 3.447 1.00 10.00 C ATOM 999 C ALA A 71 5.185 11.471 3.167 1.00 10.00 C ATOM 1000 O ALA A 71 4.902 10.642 4.018 1.00 10.00 O ATOM 1001 CB ALA A 71 3.986 13.504 2.694 1.00 10.00 C ATOM 0 H ALA A 71 6.257 14.127 2.175 1.00 10.00 H new ATOM 0 HA ALA A 71 4.976 13.129 4.511 1.00 10.00 H new ATOM 0 HB1 ALA A 71 3.056 13.049 3.036 1.00 10.00 H new ATOM 0 HB2 ALA A 71 3.944 14.581 2.856 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.119 13.301 1.631 1.00 10.00 H new ATOM 1007 N VAL A 72 5.644 11.181 1.965 1.00 10.00 N ATOM 1008 CA VAL A 72 5.797 9.831 1.462 1.00 10.00 C ATOM 1009 C VAL A 72 6.761 9.093 2.363 1.00 10.00 C ATOM 1010 O VAL A 72 6.545 7.959 2.700 1.00 10.00 O ATOM 1011 CB VAL A 72 6.402 9.826 0.036 1.00 10.00 C ATOM 1012 CG1 VAL A 72 6.020 8.608 -0.702 1.00 10.00 C ATOM 1013 CG2 VAL A 72 6.028 11.033 -0.750 1.00 10.00 C ATOM 0 H VAL A 72 5.928 11.896 1.295 1.00 10.00 H new ATOM 0 HA VAL A 72 4.814 9.361 1.438 1.00 10.00 H new ATOM 0 HB VAL A 72 7.484 9.840 0.166 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.460 8.634 -1.699 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.383 7.730 -0.168 1.00 10.00 H new ATOM 0 HG13 VAL A 72 4.934 8.559 -0.785 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.479 10.976 -1.741 1.00 10.00 H new ATOM 0 HG22 VAL A 72 4.943 11.082 -0.848 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.387 11.926 -0.238 1.00 10.00 H new ATOM 1023 N ALA A 73 7.817 9.783 2.765 1.00 10.00 N ATOM 1024 CA ALA A 73 8.834 9.213 3.617 1.00 10.00 C ATOM 1025 C ALA A 73 8.398 9.068 5.058 1.00 10.00 C ATOM 1026 O ALA A 73 8.861 8.172 5.749 1.00 10.00 O ATOM 1027 CB ALA A 73 10.061 10.009 3.573 1.00 10.00 C ATOM 0 H ALA A 73 7.988 10.755 2.506 1.00 10.00 H new ATOM 0 HA ALA A 73 9.017 8.213 3.223 1.00 10.00 H new ATOM 0 HB1 ALA A 73 10.811 9.558 4.223 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.438 10.040 2.551 1.00 10.00 H new ATOM 0 HB3 ALA A 73 9.849 11.023 3.912 1.00 10.00 H new ATOM 1033 N GLU A 74 7.580 9.977 5.529 1.00 10.00 N ATOM 1034 CA GLU A 74 6.987 9.865 6.860 1.00 10.00 C ATOM 1035 C GLU A 74 6.118 8.630 6.866 1.00 10.00 C ATOM 1036 O GLU A 74 6.129 7.830 7.819 1.00 10.00 O ATOM 1037 CB GLU A 74 6.211 11.156 7.207 1.00 10.00 C ATOM 1038 CG GLU A 74 5.465 11.150 8.537 1.00 10.00 C ATOM 1039 CD GLU A 74 3.969 10.979 8.362 1.00 10.00 C ATOM 1040 OE1 GLU A 74 3.491 9.841 8.223 1.00 10.00 O ATOM 1041 OE2 GLU A 74 3.235 12.002 8.375 1.00 10.00 O ATOM 0 H GLU A 74 7.302 10.812 5.014 1.00 10.00 H new ATOM 0 HA GLU A 74 7.748 9.758 7.633 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.914 11.989 7.211 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.492 11.349 6.411 1.00 10.00 H new ATOM 0 HG2 GLU A 74 5.849 10.344 9.162 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.662 12.083 9.065 1.00 10.00 H new ATOM 1048 N VAL A 75 5.423 8.456 5.771 1.00 10.00 N ATOM 1049 CA VAL A 75 4.682 7.273 5.511 1.00 10.00 C ATOM 1050 C VAL A 75 5.640 6.059 5.464 1.00 10.00 C ATOM 1051 O VAL A 75 5.443 5.106 6.212 1.00 10.00 O ATOM 1052 CB VAL A 75 3.862 7.434 4.203 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.317 6.125 3.716 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.715 8.394 4.440 1.00 10.00 C ATOM 0 H VAL A 75 5.363 9.153 5.028 1.00 10.00 H new ATOM 0 HA VAL A 75 3.968 7.096 6.315 1.00 10.00 H new ATOM 0 HB VAL A 75 4.534 7.823 3.438 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.750 6.285 2.799 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.141 5.439 3.518 1.00 10.00 H new ATOM 0 HG13 VAL A 75 2.663 5.698 4.476 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.139 8.507 3.521 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.070 8.003 5.227 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.109 9.364 4.743 1.00 10.00 H new ATOM 1064 N MET A 76 6.702 6.119 4.612 1.00 10.00 N ATOM 1065 CA MET A 76 7.703 5.065 4.534 1.00 10.00 C ATOM 1066 C MET A 76 8.228 4.685 5.898 1.00 10.00 C ATOM 1067 O MET A 76 8.147 3.552 6.250 1.00 10.00 O ATOM 1068 CB MET A 76 8.882 5.500 3.670 1.00 10.00 C ATOM 1069 CG MET A 76 8.594 5.822 2.205 1.00 10.00 C ATOM 1070 SD MET A 76 8.375 4.414 1.096 1.00 10.00 S ATOM 1071 CE MET A 76 6.917 3.653 1.738 1.00 10.00 C ATOM 0 H MET A 76 6.869 6.898 3.975 1.00 10.00 H new ATOM 0 HA MET A 76 7.209 4.201 4.089 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.329 6.382 4.128 1.00 10.00 H new ATOM 0 HB3 MET A 76 9.633 4.710 3.701 1.00 10.00 H new ATOM 0 HG2 MET A 76 7.693 6.433 2.161 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.412 6.433 1.823 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.444 3.057 0.958 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.182 3.009 2.577 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.224 4.423 2.077 1.00 10.00 H new ATOM 1081 N SER A 77 8.682 5.647 6.677 1.00 10.00 N ATOM 1082 CA SER A 77 9.267 5.370 7.994 1.00 10.00 C ATOM 1083 C SER A 77 8.298 4.612 8.896 1.00 10.00 C ATOM 1084 O SER A 77 8.709 3.686 9.598 1.00 10.00 O ATOM 1085 CB SER A 77 9.758 6.658 8.652 1.00 10.00 C ATOM 1086 OG SER A 77 10.492 6.399 9.834 1.00 10.00 O ATOM 0 H SER A 77 8.661 6.636 6.428 1.00 10.00 H new ATOM 0 HA SER A 77 10.130 4.722 7.843 1.00 10.00 H new ATOM 0 HB2 SER A 77 10.383 7.209 7.950 1.00 10.00 H new ATOM 0 HB3 SER A 77 8.905 7.294 8.886 1.00 10.00 H new ATOM 0 HG SER A 77 10.791 7.246 10.226 1.00 10.00 H new ATOM 1092 N HIS A 78 7.023 4.983 8.861 1.00 10.00 N ATOM 1093 CA HIS A 78 6.011 4.225 9.608 1.00 10.00 C ATOM 1094 C HIS A 78 5.952 2.787 9.090 1.00 10.00 C ATOM 1095 O HIS A 78 6.257 1.843 9.797 1.00 10.00 O ATOM 1096 CB HIS A 78 4.598 4.857 9.499 1.00 10.00 C ATOM 1097 CG HIS A 78 4.332 6.051 10.379 1.00 10.00 C ATOM 1098 ND1 HIS A 78 4.566 7.357 9.993 1.00 10.00 N ATOM 1099 CD2 HIS A 78 3.804 6.127 11.626 1.00 10.00 C ATOM 1100 CE1 HIS A 78 4.199 8.174 10.957 1.00 10.00 C ATOM 1101 NE2 HIS A 78 3.732 7.458 11.958 1.00 10.00 N ATOM 0 H HIS A 78 6.666 5.783 8.339 1.00 10.00 H new ATOM 0 HA HIS A 78 6.308 4.244 10.657 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.434 5.152 8.463 1.00 10.00 H new ATOM 0 HB3 HIS A 78 3.861 4.089 9.732 1.00 10.00 H new ATOM 0 HD1 HIS A 78 4.962 7.644 9.098 1.00 10.00 H new ATOM 0 HD2 HIS A 78 3.497 5.296 12.243 1.00 10.00 H new ATOM 0 HE1 HIS A 78 4.269 9.251 10.931 1.00 10.00 H new ATOM 1110 N ILE A 79 5.689 2.656 7.810 1.00 10.00 N ATOM 1111 CA ILE A 79 5.402 1.365 7.216 1.00 10.00 C ATOM 1112 C ILE A 79 6.656 0.452 7.091 1.00 10.00 C ATOM 1113 O ILE A 79 6.532 -0.800 7.104 1.00 10.00 O ATOM 1114 CB ILE A 79 4.766 1.495 5.814 1.00 10.00 C ATOM 1115 CG1 ILE A 79 3.808 2.658 5.730 1.00 10.00 C ATOM 1116 CG2 ILE A 79 3.954 0.264 5.557 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.183 2.801 4.358 1.00 10.00 C ATOM 0 H ILE A 79 5.667 3.435 7.152 1.00 10.00 H new ATOM 0 HA ILE A 79 4.696 0.902 7.905 1.00 10.00 H new ATOM 0 HB ILE A 79 5.574 1.638 5.096 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.020 2.529 6.472 1.00 10.00 H new ATOM 0 HG13 ILE A 79 4.336 3.578 5.982 1.00 10.00 H new ATOM 0 HG21 ILE A 79 3.493 0.331 4.571 1.00 10.00 H new ATOM 0 HG22 ILE A 79 4.600 -0.613 5.597 1.00 10.00 H new ATOM 0 HG23 ILE A 79 3.176 0.176 6.316 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.503 3.653 4.355 1.00 10.00 H new ATOM 0 HD12 ILE A 79 3.966 2.959 3.616 1.00 10.00 H new ATOM 0 HD13 ILE A 79 2.630 1.894 4.114 1.00 10.00 H new ATOM 1129 N GLN A 80 7.848 1.056 6.964 1.00 10.00 N ATOM 1130 CA GLN A 80 9.094 0.290 6.763 1.00 10.00 C ATOM 1131 C GLN A 80 9.515 -0.482 7.975 1.00 10.00 C ATOM 1132 O GLN A 80 10.373 -1.352 7.873 1.00 10.00 O ATOM 1133 CB GLN A 80 10.282 1.130 6.265 1.00 10.00 C ATOM 1134 CG GLN A 80 10.096 1.790 4.912 1.00 10.00 C ATOM 1135 CD GLN A 80 9.496 0.914 3.911 1.00 10.00 C ATOM 1136 OE1 GLN A 80 10.171 0.171 3.226 1.00 10.00 O ATOM 1137 NE2 GLN A 80 8.208 1.040 3.775 1.00 10.00 N ATOM 0 H GLN A 80 7.978 2.067 6.996 1.00 10.00 H new ATOM 0 HA GLN A 80 8.827 -0.410 5.971 1.00 10.00 H new ATOM 0 HB2 GLN A 80 10.490 1.906 7.002 1.00 10.00 H new ATOM 0 HB3 GLN A 80 11.163 0.490 6.219 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.469 2.674 5.032 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.065 2.133 4.548 1.00 10.00 H new ATOM 0 HE21 GLN A 80 7.692 1.680 4.379 1.00 10.00 H new ATOM 0 HE22 GLN A 80 7.715 0.499 3.065 1.00 10.00 H new ATOM 1146 N ARG A 81 8.941 -0.155 9.131 1.00 10.00 N ATOM 1147 CA ARG A 81 9.201 -0.937 10.349 1.00 10.00 C ATOM 1148 C ARG A 81 8.847 -2.419 10.100 1.00 10.00 C ATOM 1149 O ARG A 81 9.493 -3.319 10.629 1.00 10.00 O ATOM 1150 CB ARG A 81 8.411 -0.389 11.534 1.00 10.00 C ATOM 1151 CG ARG A 81 8.669 1.067 11.797 1.00 10.00 C ATOM 1152 CD ARG A 81 7.951 1.556 13.038 1.00 10.00 C ATOM 1153 NE ARG A 81 8.097 3.013 13.200 1.00 10.00 N ATOM 1154 CZ ARG A 81 9.095 3.638 13.849 1.00 10.00 C ATOM 1155 NH1 ARG A 81 10.034 2.938 14.474 1.00 10.00 N ATOM 1156 NH2 ARG A 81 9.129 4.968 13.891 1.00 10.00 N ATOM 0 H ARG A 81 8.303 0.631 9.255 1.00 10.00 H new ATOM 0 HA ARG A 81 10.260 -0.858 10.593 1.00 10.00 H new ATOM 0 HB2 ARG A 81 7.346 -0.535 11.351 1.00 10.00 H new ATOM 0 HB3 ARG A 81 8.663 -0.963 12.426 1.00 10.00 H new ATOM 0 HG2 ARG A 81 9.741 1.230 11.910 1.00 10.00 H new ATOM 0 HG3 ARG A 81 8.346 1.653 10.937 1.00 10.00 H new ATOM 0 HD2 ARG A 81 6.894 1.299 12.974 1.00 10.00 H new ATOM 0 HD3 ARG A 81 8.350 1.048 13.916 1.00 10.00 H new ATOM 0 HE ARG A 81 7.376 3.601 12.782 1.00 10.00 H new ATOM 0 HH11 ARG A 81 10.002 1.919 14.464 1.00 10.00 H new ATOM 0 HH12 ARG A 81 10.788 3.420 14.964 1.00 10.00 H new ATOM 0 HH21 ARG A 81 8.399 5.512 13.431 1.00 10.00 H new ATOM 0 HH22 ARG A 81 9.885 5.444 14.383 1.00 10.00 H new ATOM 1170 N ASP A 82 7.829 -2.616 9.241 1.00 10.00 N ATOM 1171 CA ASP A 82 7.344 -3.924 8.759 1.00 10.00 C ATOM 1172 C ASP A 82 7.005 -4.975 9.750 1.00 10.00 C ATOM 1173 O ASP A 82 7.829 -5.509 10.495 1.00 10.00 O ATOM 1174 CB ASP A 82 7.977 -4.412 7.467 1.00 10.00 C ATOM 1175 CG ASP A 82 7.855 -5.904 7.142 1.00 10.00 C ATOM 1176 OD1 ASP A 82 8.698 -6.698 7.581 1.00 10.00 O ATOM 1177 OD2 ASP A 82 6.937 -6.281 6.403 1.00 10.00 O ATOM 0 H ASP A 82 7.300 -1.837 8.848 1.00 10.00 H new ATOM 0 HA ASP A 82 6.330 -3.643 8.476 1.00 10.00 H new ATOM 0 HB2 ASP A 82 7.536 -3.851 6.643 1.00 10.00 H new ATOM 0 HB3 ASP A 82 9.037 -4.159 7.495 1.00 10.00 H new ATOM 1182 N ARG A 83 5.752 -5.291 9.697 1.00 10.00 N ATOM 1183 CA ARG A 83 5.099 -6.122 10.642 1.00 10.00 C ATOM 1184 C ARG A 83 3.756 -6.543 10.070 1.00 10.00 C ATOM 1185 O ARG A 83 3.379 -7.680 10.157 1.00 10.00 O ATOM 1186 CB ARG A 83 4.964 -5.336 11.951 1.00 10.00 C ATOM 1187 CG ARG A 83 4.460 -3.910 11.749 1.00 10.00 C ATOM 1188 CD ARG A 83 4.626 -3.069 13.018 1.00 10.00 C ATOM 1189 NE ARG A 83 4.035 -3.704 14.222 1.00 10.00 N ATOM 1190 CZ ARG A 83 3.529 -3.033 15.275 1.00 10.00 C ATOM 1191 NH1 ARG A 83 3.408 -1.711 15.232 1.00 10.00 N ATOM 1192 NH2 ARG A 83 3.120 -3.702 16.355 1.00 10.00 N ATOM 0 H ARG A 83 5.132 -4.959 8.958 1.00 10.00 H new ATOM 0 HA ARG A 83 5.664 -7.030 10.851 1.00 10.00 H new ATOM 0 HB2 ARG A 83 4.281 -5.865 12.616 1.00 10.00 H new ATOM 0 HB3 ARG A 83 5.933 -5.304 12.449 1.00 10.00 H new ATOM 0 HG2 ARG A 83 5.005 -3.443 10.929 1.00 10.00 H new ATOM 0 HG3 ARG A 83 3.409 -3.932 11.461 1.00 10.00 H new ATOM 0 HD2 ARG A 83 5.687 -2.892 13.192 1.00 10.00 H new ATOM 0 HD3 ARG A 83 4.162 -2.095 12.864 1.00 10.00 H new ATOM 0 HE ARG A 83 4.010 -4.723 14.255 1.00 10.00 H new ATOM 0 HH11 ARG A 83 3.699 -1.199 14.399 1.00 10.00 H new ATOM 0 HH12 ARG A 83 3.024 -1.208 16.032 1.00 10.00 H new ATOM 0 HH21 ARG A 83 3.191 -4.719 16.382 1.00 10.00 H new ATOM 0 HH22 ARG A 83 2.737 -3.196 17.153 1.00 10.00 H new ATOM 1206 N ARG A 84 3.060 -5.610 9.414 1.00 10.00 N ATOM 1207 CA ARG A 84 1.779 -5.927 8.801 1.00 10.00 C ATOM 1208 C ARG A 84 1.933 -6.187 7.286 1.00 10.00 C ATOM 1209 O ARG A 84 1.047 -5.917 6.495 1.00 10.00 O ATOM 1210 CB ARG A 84 0.758 -4.834 9.065 1.00 10.00 C ATOM 1211 CG ARG A 84 -0.500 -5.336 9.775 1.00 10.00 C ATOM 1212 CD ARG A 84 -0.227 -5.819 11.193 1.00 10.00 C ATOM 1213 NE ARG A 84 0.043 -4.717 12.139 1.00 10.00 N ATOM 1214 CZ ARG A 84 -0.365 -4.712 13.420 1.00 10.00 C ATOM 1215 NH1 ARG A 84 -0.978 -5.777 13.946 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -0.133 -3.669 14.174 1.00 10.00 N ATOM 0 H ARG A 84 3.362 -4.643 9.298 1.00 10.00 H new ATOM 0 HA ARG A 84 1.412 -6.844 9.261 1.00 10.00 H new ATOM 0 HB2 ARG A 84 1.220 -4.054 9.669 1.00 10.00 H new ATOM 0 HB3 ARG A 84 0.473 -4.377 8.117 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -1.238 -4.535 9.805 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -0.937 -6.150 9.197 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -1.084 -6.392 11.547 1.00 10.00 H new ATOM 0 HD3 ARG A 84 0.626 -6.497 11.181 1.00 10.00 H new ATOM 0 HE ARG A 84 0.570 -3.912 11.800 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -1.141 -6.606 13.374 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -1.283 -5.761 14.919 1.00 10.00 H new ATOM 0 HH21 ARG A 84 0.357 -2.861 13.790 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -0.442 -3.664 15.146 1.00 10.00 H new ATOM 1230 N HIS A 85 3.060 -6.743 6.927 1.00 10.00 N ATOM 1231 CA HIS A 85 3.398 -7.199 5.609 1.00 10.00 C ATOM 1232 C HIS A 85 4.620 -8.052 5.731 1.00 10.00 C ATOM 1233 O HIS A 85 5.023 -8.335 6.850 1.00 10.00 O ATOM 1234 CB HIS A 85 3.491 -6.096 4.498 1.00 10.00 C ATOM 1235 CG HIS A 85 4.122 -4.778 4.831 1.00 10.00 C ATOM 1236 ND1 HIS A 85 3.861 -3.647 4.106 1.00 10.00 N ATOM 1237 CD2 HIS A 85 4.998 -4.389 5.788 1.00 10.00 C ATOM 1238 CE1 HIS A 85 4.537 -2.672 4.601 1.00 10.00 C ATOM 1239 NE2 HIS A 85 5.216 -3.093 5.624 1.00 10.00 N ATOM 0 H HIS A 85 3.815 -6.899 7.595 1.00 10.00 H new ATOM 0 HA HIS A 85 2.562 -7.786 5.229 1.00 10.00 H new ATOM 0 HB2 HIS A 85 4.041 -6.521 3.658 1.00 10.00 H new ATOM 0 HB3 HIS A 85 2.478 -5.896 4.147 1.00 10.00 H new ATOM 0 HD2 HIS A 85 5.438 -5.020 6.546 1.00 10.00 H new ATOM 0 HE1 HIS A 85 4.540 -1.660 4.224 1.00 10.00 H new ATOM 0 HE2 HIS A 85 5.821 -2.517 6.209 1.00 10.00 H new ATOM 1248 N SER A 86 5.194 -8.478 4.643 1.00 10.00 N ATOM 1249 CA SER A 86 6.279 -9.419 4.718 1.00 10.00 C ATOM 1250 C SER A 86 7.576 -8.955 4.103 1.00 10.00 C ATOM 1251 O SER A 86 8.485 -9.765 3.895 1.00 10.00 O ATOM 1252 CB SER A 86 5.855 -10.583 3.990 1.00 10.00 C ATOM 1253 OG SER A 86 5.651 -11.704 4.818 1.00 10.00 O ATOM 0 H SER A 86 4.933 -8.193 3.699 1.00 10.00 H new ATOM 0 HA SER A 86 6.487 -9.585 5.775 1.00 10.00 H new ATOM 0 HB2 SER A 86 4.930 -10.356 3.460 1.00 10.00 H new ATOM 0 HB3 SER A 86 6.604 -10.826 3.236 1.00 10.00 H new ATOM 0 HG SER A 86 5.519 -12.501 4.263 1.00 10.00 H new ATOM 1259 N ASN A 87 7.694 -7.695 3.824 1.00 10.00 N ATOM 1260 CA ASN A 87 8.879 -7.253 3.087 1.00 10.00 C ATOM 1261 C ASN A 87 9.063 -5.791 3.053 1.00 10.00 C ATOM 1262 O ASN A 87 10.009 -5.245 3.577 1.00 10.00 O ATOM 1263 CB ASN A 87 8.843 -7.799 1.649 1.00 10.00 C ATOM 1264 CG ASN A 87 10.085 -7.534 0.823 1.00 10.00 C ATOM 1265 OD1 ASN A 87 9.991 -7.271 -0.385 1.00 10.00 O ATOM 1266 ND2 ASN A 87 11.226 -7.655 1.411 1.00 10.00 N ATOM 0 H ASN A 87 7.026 -6.966 4.074 1.00 10.00 H new ATOM 0 HA ASN A 87 9.731 -7.656 3.634 1.00 10.00 H new ATOM 0 HB2 ASN A 87 8.678 -8.876 1.691 1.00 10.00 H new ATOM 0 HB3 ASN A 87 7.986 -7.365 1.135 1.00 10.00 H new ATOM 0 HD21 ASN A 87 12.089 -7.534 0.880 1.00 10.00 H new ATOM 0 HD22 ASN A 87 11.266 -7.872 2.407 1.00 10.00 H new ATOM 1273 N VAL A 88 8.115 -5.218 2.490 1.00 10.00 N ATOM 1274 CA VAL A 88 8.076 -3.873 2.066 1.00 10.00 C ATOM 1275 C VAL A 88 9.327 -3.345 1.419 1.00 10.00 C ATOM 1276 O VAL A 88 10.131 -2.639 2.016 1.00 10.00 O ATOM 1277 CB VAL A 88 7.395 -2.937 3.031 1.00 10.00 C ATOM 1278 CG1 VAL A 88 8.085 -2.781 4.322 1.00 10.00 C ATOM 1279 CG2 VAL A 88 7.058 -1.629 2.434 1.00 10.00 C ATOM 0 H VAL A 88 7.246 -5.710 2.282 1.00 10.00 H new ATOM 0 HA VAL A 88 7.396 -3.904 1.214 1.00 10.00 H new ATOM 0 HB VAL A 88 6.455 -3.440 3.259 1.00 10.00 H new ATOM 0 HG11 VAL A 88 7.525 -2.091 4.953 1.00 10.00 H new ATOM 0 HG12 VAL A 88 8.154 -3.750 4.817 1.00 10.00 H new ATOM 0 HG13 VAL A 88 9.087 -2.387 4.154 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.570 -1.003 3.181 1.00 10.00 H new ATOM 0 HG22 VAL A 88 7.970 -1.140 2.090 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.385 -1.777 1.589 1.00 10.00 H new ATOM 1289 N GLU A 89 9.505 -3.748 0.207 1.00 10.00 N ATOM 1290 CA GLU A 89 10.558 -3.241 -0.553 1.00 10.00 C ATOM 1291 C GLU A 89 10.093 -2.359 -1.606 1.00 10.00 C ATOM 1292 O GLU A 89 9.489 -2.777 -2.593 1.00 10.00 O ATOM 1293 CB GLU A 89 11.537 -4.253 -1.015 1.00 10.00 C ATOM 1294 CG GLU A 89 12.544 -4.575 0.048 1.00 10.00 C ATOM 1295 CD GLU A 89 13.467 -3.410 0.417 1.00 10.00 C ATOM 1296 OE1 GLU A 89 13.011 -2.260 0.574 1.00 10.00 O ATOM 1297 OE2 GLU A 89 14.686 -3.644 0.594 1.00 10.00 O ATOM 0 H GLU A 89 8.920 -4.435 -0.268 1.00 10.00 H new ATOM 0 HA GLU A 89 11.139 -2.628 0.136 1.00 10.00 H new ATOM 0 HB2 GLU A 89 11.011 -5.162 -1.306 1.00 10.00 H new ATOM 0 HB3 GLU A 89 12.050 -3.884 -1.903 1.00 10.00 H new ATOM 0 HG2 GLU A 89 12.017 -4.903 0.944 1.00 10.00 H new ATOM 0 HG3 GLU A 89 13.154 -5.414 -0.288 1.00 10.00 H new ATOM 1304 N ILE A 90 10.256 -1.141 -1.281 1.00 10.00 N ATOM 1305 CA ILE A 90 9.984 0.016 -2.118 1.00 10.00 C ATOM 1306 C ILE A 90 10.675 -0.191 -3.444 1.00 10.00 C ATOM 1307 O ILE A 90 10.064 -0.583 -4.429 1.00 10.00 O ATOM 1308 CB ILE A 90 10.493 1.342 -1.407 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.288 1.267 0.101 1.00 10.00 C ATOM 1310 CG2 ILE A 90 9.765 2.598 -1.908 1.00 10.00 C ATOM 1311 CD1 ILE A 90 8.867 1.070 0.506 1.00 10.00 C ATOM 0 H ILE A 90 10.608 -0.877 -0.361 1.00 10.00 H new ATOM 0 HA ILE A 90 8.912 0.125 -2.279 1.00 10.00 H new ATOM 0 HB ILE A 90 11.552 1.417 -1.653 1.00 10.00 H new ATOM 0 HG12 ILE A 90 10.886 0.448 0.499 1.00 10.00 H new ATOM 0 HG13 ILE A 90 10.662 2.185 0.555 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.152 3.475 -1.389 1.00 10.00 H new ATOM 0 HG22 ILE A 90 9.928 2.710 -2.980 1.00 10.00 H new ATOM 0 HG23 ILE A 90 8.697 2.502 -1.712 1.00 10.00 H new ATOM 0 HD11 ILE A 90 8.801 1.027 1.593 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.265 1.902 0.139 1.00 10.00 H new ATOM 0 HD13 ILE A 90 8.494 0.138 0.082 1.00 10.00 H new ATOM 1323 N LEU A 91 11.945 -0.007 -3.432 1.00 10.00 N ATOM 1324 CA LEU A 91 12.827 -0.177 -4.595 1.00 10.00 C ATOM 1325 C LEU A 91 12.571 0.861 -5.687 1.00 10.00 C ATOM 1326 O LEU A 91 13.384 1.007 -6.605 1.00 10.00 O ATOM 1327 CB LEU A 91 12.770 -1.603 -5.177 1.00 10.00 C ATOM 1328 CG LEU A 91 13.114 -2.733 -4.210 1.00 10.00 C ATOM 1329 CD1 LEU A 91 12.944 -4.086 -4.882 1.00 10.00 C ATOM 1330 CD2 LEU A 91 14.525 -2.581 -3.673 1.00 10.00 C ATOM 0 H LEU A 91 12.447 0.278 -2.591 1.00 10.00 H new ATOM 0 HA LEU A 91 13.836 -0.014 -4.218 1.00 10.00 H new ATOM 0 HB2 LEU A 91 11.766 -1.776 -5.565 1.00 10.00 H new ATOM 0 HB3 LEU A 91 13.453 -1.656 -6.025 1.00 10.00 H new ATOM 0 HG LEU A 91 12.423 -2.675 -3.369 1.00 10.00 H new ATOM 0 HD11 LEU A 91 13.194 -4.877 -4.175 1.00 10.00 H new ATOM 0 HD12 LEU A 91 11.910 -4.203 -5.207 1.00 10.00 H new ATOM 0 HD13 LEU A 91 13.605 -4.149 -5.746 1.00 10.00 H new ATOM 0 HD21 LEU A 91 14.743 -3.399 -2.987 1.00 10.00 H new ATOM 0 HD22 LEU A 91 15.234 -2.603 -4.501 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.613 -1.632 -3.145 1.00 10.00 H new ATOM 1342 N ALA A 92 11.449 1.555 -5.635 1.00 10.00 N ATOM 1343 CA ALA A 92 11.207 2.595 -6.597 1.00 10.00 C ATOM 1344 C ALA A 92 10.731 3.841 -5.915 1.00 10.00 C ATOM 1345 O ALA A 92 9.654 3.869 -5.340 1.00 10.00 O ATOM 1346 CB ALA A 92 10.205 2.150 -7.643 1.00 10.00 C ATOM 0 H ALA A 92 10.708 1.416 -4.948 1.00 10.00 H new ATOM 0 HA ALA A 92 12.149 2.811 -7.102 1.00 10.00 H new ATOM 0 HB1 ALA A 92 10.042 2.957 -8.357 1.00 10.00 H new ATOM 0 HB2 ALA A 92 10.590 1.275 -8.166 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.262 1.898 -7.159 1.00 10.00 H new ATOM 1352 N GLU A 93 11.543 4.859 -5.953 1.00 10.00 N ATOM 1353 CA GLU A 93 11.181 6.137 -5.403 1.00 10.00 C ATOM 1354 C GLU A 93 11.585 7.177 -6.407 1.00 10.00 C ATOM 1355 O GLU A 93 12.782 7.374 -6.662 1.00 10.00 O ATOM 1356 CB GLU A 93 11.896 6.403 -4.080 1.00 10.00 C ATOM 1357 CG GLU A 93 11.703 5.348 -3.041 1.00 10.00 C ATOM 1358 CD GLU A 93 12.430 5.651 -1.762 1.00 10.00 C ATOM 1359 OE1 GLU A 93 13.661 5.429 -1.698 1.00 10.00 O ATOM 1360 OE2 GLU A 93 11.795 6.093 -0.790 1.00 10.00 O ATOM 0 H GLU A 93 12.475 4.828 -6.366 1.00 10.00 H new ATOM 0 HA GLU A 93 10.110 6.161 -5.202 1.00 10.00 H new ATOM 0 HB2 GLU A 93 12.963 6.510 -4.275 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.548 7.355 -3.680 1.00 10.00 H new ATOM 0 HG2 GLU A 93 10.639 5.241 -2.832 1.00 10.00 H new ATOM 0 HG3 GLU A 93 12.049 4.391 -3.432 1.00 10.00 H new ATOM 1367 N GLU A 94 10.624 7.799 -7.002 1.00 10.00 N ATOM 1368 CA GLU A 94 10.887 8.776 -8.027 1.00 10.00 C ATOM 1369 C GLU A 94 10.008 10.003 -7.883 1.00 10.00 C ATOM 1370 O GLU A 94 8.882 9.915 -7.373 1.00 10.00 O ATOM 1371 CB GLU A 94 10.747 8.129 -9.406 1.00 10.00 C ATOM 1372 CG GLU A 94 9.453 7.357 -9.614 1.00 10.00 C ATOM 1373 CD GLU A 94 9.487 6.550 -10.877 1.00 10.00 C ATOM 1374 OE1 GLU A 94 9.358 7.127 -11.972 1.00 10.00 O ATOM 1375 OE2 GLU A 94 9.664 5.318 -10.807 1.00 10.00 O ATOM 0 H GLU A 94 9.635 7.652 -6.799 1.00 10.00 H new ATOM 0 HA GLU A 94 11.913 9.127 -7.913 1.00 10.00 H new ATOM 0 HB2 GLU A 94 10.817 8.907 -10.167 1.00 10.00 H new ATOM 0 HB3 GLU A 94 11.587 7.453 -9.563 1.00 10.00 H new ATOM 0 HG2 GLU A 94 9.283 6.696 -8.764 1.00 10.00 H new ATOM 0 HG3 GLU A 94 8.615 8.053 -9.649 1.00 10.00 H new ATOM 1382 N SER A 95 10.543 11.131 -8.293 1.00 10.00 N ATOM 1383 CA SER A 95 9.866 12.397 -8.251 1.00 10.00 C ATOM 1384 C SER A 95 8.812 12.432 -9.339 1.00 10.00 C ATOM 1385 O SER A 95 9.116 12.247 -10.520 1.00 10.00 O ATOM 1386 CB SER A 95 10.883 13.515 -8.457 1.00 10.00 C ATOM 1387 OG SER A 95 11.998 13.359 -7.568 1.00 10.00 O ATOM 0 H SER A 95 11.487 11.189 -8.674 1.00 10.00 H new ATOM 0 HA SER A 95 9.381 12.534 -7.284 1.00 10.00 H new ATOM 0 HB2 SER A 95 11.232 13.510 -9.490 1.00 10.00 H new ATOM 0 HB3 SER A 95 10.408 14.481 -8.286 1.00 10.00 H new ATOM 0 HG SER A 95 12.639 14.085 -7.717 1.00 10.00 H new ATOM 1393 N ILE A 96 7.588 12.623 -8.947 1.00 10.00 N ATOM 1394 CA ILE A 96 6.501 12.633 -9.887 1.00 10.00 C ATOM 1395 C ILE A 96 5.728 13.935 -9.961 1.00 10.00 C ATOM 1396 O ILE A 96 6.062 14.921 -9.302 1.00 10.00 O ATOM 1397 CB ILE A 96 5.529 11.512 -9.664 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.924 11.583 -8.275 1.00 10.00 C ATOM 1399 CG2 ILE A 96 6.226 10.184 -9.918 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.601 10.934 -8.177 1.00 10.00 C ATOM 0 H ILE A 96 7.313 12.775 -7.977 1.00 10.00 H new ATOM 0 HA ILE A 96 7.009 12.500 -10.842 1.00 10.00 H new ATOM 0 HB ILE A 96 4.701 11.605 -10.367 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.605 11.112 -7.566 1.00 10.00 H new ATOM 0 HG13 ILE A 96 4.830 12.628 -7.981 1.00 10.00 H new ATOM 0 HG21 ILE A 96 5.522 9.367 -9.757 1.00 10.00 H new ATOM 0 HG22 ILE A 96 6.588 10.154 -10.946 1.00 10.00 H new ATOM 0 HG23 ILE A 96 7.068 10.078 -9.234 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.227 11.022 -7.157 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.906 11.420 -8.862 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.692 9.880 -8.440 1.00 10.00 H new ATOM 1412 N ALA A 97 4.702 13.936 -10.810 1.00 10.00 N ATOM 1413 CA ALA A 97 3.825 15.087 -10.988 1.00 10.00 C ATOM 1414 C ALA A 97 2.512 14.887 -10.323 1.00 10.00 C ATOM 1415 O ALA A 97 1.679 15.805 -10.237 1.00 10.00 O ATOM 1416 CB ALA A 97 3.607 15.365 -12.427 1.00 10.00 C ATOM 0 H ALA A 97 4.457 13.136 -11.394 1.00 10.00 H new ATOM 0 HA ALA A 97 4.322 15.939 -10.524 1.00 10.00 H new ATOM 0 HB1 ALA A 97 2.950 16.228 -12.535 1.00 10.00 H new ATOM 0 HB2 ALA A 97 4.563 15.575 -12.906 1.00 10.00 H new ATOM 0 HB3 ALA A 97 3.147 14.497 -12.900 1.00 10.00 H new ATOM 1422 N LYS A 98 2.387 13.727 -9.809 1.00 10.00 N ATOM 1423 CA LYS A 98 1.235 13.219 -9.193 1.00 10.00 C ATOM 1424 C LYS A 98 0.006 13.306 -10.122 1.00 10.00 C ATOM 1425 O LYS A 98 0.154 13.461 -11.347 1.00 10.00 O ATOM 1426 CB LYS A 98 1.095 13.951 -7.910 1.00 10.00 C ATOM 1427 CG LYS A 98 0.260 13.308 -6.920 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.659 14.236 -6.208 1.00 10.00 C ATOM 1429 CE LYS A 98 0.041 14.747 -5.036 1.00 10.00 C ATOM 1430 NZ LYS A 98 -0.793 15.638 -4.196 1.00 10.00 N ATOM 0 H LYS A 98 3.154 13.055 -9.810 1.00 10.00 H new ATOM 0 HA LYS A 98 1.316 12.152 -8.986 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.088 14.098 -7.484 1.00 10.00 H new ATOM 0 HB3 LYS A 98 0.688 14.940 -8.118 1.00 10.00 H new ATOM 0 HG2 LYS A 98 -0.330 12.531 -7.407 1.00 10.00 H new ATOM 0 HG3 LYS A 98 0.898 12.812 -6.188 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -0.956 15.055 -6.862 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.571 13.718 -5.912 1.00 10.00 H new ATOM 0 HE2 LYS A 98 0.385 13.907 -4.432 1.00 10.00 H new ATOM 0 HE3 LYS A 98 0.928 15.291 -5.360 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -0.260 16.502 -3.971 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -1.660 15.890 -4.712 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -1.045 15.148 -3.314 1.00 10.00 H new ATOM 1444 N ARG A 99 -1.149 13.056 -9.553 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.452 13.196 -10.186 1.00 10.00 C ATOM 1446 C ARG A 99 -2.802 11.943 -10.990 1.00 10.00 C ATOM 1447 O ARG A 99 -3.675 11.949 -11.863 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.545 14.523 -11.011 1.00 10.00 C ATOM 1449 CG ARG A 99 -3.946 14.912 -11.467 1.00 10.00 C ATOM 1450 CD ARG A 99 -4.851 15.147 -10.275 1.00 10.00 C ATOM 1451 NE ARG A 99 -6.210 15.533 -10.651 1.00 10.00 N ATOM 1452 CZ ARG A 99 -7.127 15.991 -9.794 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -6.829 16.103 -8.492 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -8.333 16.332 -10.234 1.00 10.00 N ATOM 0 H ARG A 99 -1.216 12.733 -8.588 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.214 13.281 -9.411 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.139 15.335 -10.408 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -1.908 14.430 -11.890 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -3.898 15.814 -12.077 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -4.361 14.124 -12.095 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -4.891 14.239 -9.673 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -4.419 15.927 -9.647 1.00 10.00 H new ATOM 0 HE ARG A 99 -6.476 15.447 -11.632 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -5.903 15.839 -8.156 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -7.528 16.453 -7.837 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -8.558 16.244 -11.225 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -9.034 16.682 -9.581 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.188 10.850 -10.626 1.00 10.00 N ATOM 1469 CA ARG A 100 -2.415 9.609 -11.308 1.00 10.00 C ATOM 1470 C ARG A 100 -3.639 8.919 -10.769 1.00 10.00 C ATOM 1471 O ARG A 100 -4.548 8.588 -11.526 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.194 8.732 -11.211 1.00 10.00 C ATOM 1473 CG ARG A 100 0.006 9.418 -11.794 1.00 10.00 C ATOM 1474 CD ARG A 100 1.273 8.631 -11.581 1.00 10.00 C ATOM 1475 NE ARG A 100 2.389 9.282 -12.251 1.00 10.00 N ATOM 1476 CZ ARG A 100 3.660 8.914 -12.211 1.00 10.00 C ATOM 1477 NH1 ARG A 100 4.039 7.815 -11.563 1.00 10.00 N ATOM 1478 NH2 ARG A 100 4.555 9.639 -12.866 1.00 10.00 N ATOM 0 H ARG A 100 -1.522 10.796 -9.855 1.00 10.00 H new ATOM 0 HA ARG A 100 -2.598 9.815 -12.363 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -1.003 8.482 -10.167 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -1.373 7.794 -11.736 1.00 10.00 H new ATOM 0 HG2 ARG A 100 -0.149 9.571 -12.862 1.00 10.00 H new ATOM 0 HG3 ARG A 100 0.113 10.404 -11.343 1.00 10.00 H new ATOM 0 HD2 ARG A 100 1.481 8.544 -10.514 1.00 10.00 H new ATOM 0 HD3 ARG A 100 1.150 7.618 -11.965 1.00 10.00 H new ATOM 0 HE ARG A 100 2.169 10.107 -12.809 1.00 10.00 H new ATOM 0 HH11 ARG A 100 3.345 7.240 -11.086 1.00 10.00 H new ATOM 0 HH12 ARG A 100 5.023 7.548 -11.544 1.00 10.00 H new ATOM 0 HH21 ARG A 100 4.260 10.464 -13.388 1.00 10.00 H new ATOM 0 HH22 ARG A 100 5.539 9.372 -12.848 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.706 8.706 -9.474 1.00 10.00 N ATOM 1493 CA PHE A 101 -4.882 8.060 -8.941 1.00 10.00 C ATOM 1494 C PHE A 101 -5.813 9.000 -8.258 1.00 10.00 C ATOM 1495 O PHE A 101 -6.955 8.653 -7.971 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.576 6.806 -8.133 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.349 5.602 -9.002 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -3.220 5.493 -9.790 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.295 4.592 -9.056 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -3.034 4.399 -10.606 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -5.112 3.498 -9.872 1.00 10.00 C ATOM 1502 CZ PHE A 101 -3.980 3.402 -10.646 1.00 10.00 C ATOM 0 H PHE A 101 -2.990 8.959 -8.793 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.430 7.701 -9.812 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -3.691 6.980 -7.520 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -5.402 6.607 -7.451 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.475 6.274 -9.766 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -6.187 4.663 -8.451 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -2.145 4.324 -11.215 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -5.857 2.717 -9.904 1.00 10.00 H new ATOM 0 HZ PHE A 101 -3.834 2.544 -11.285 1.00 10.00 H new ATOM 1512 N ALA A 102 -5.305 10.177 -7.983 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.045 11.335 -7.378 1.00 10.00 C ATOM 1514 C ALA A 102 -6.581 11.072 -5.952 1.00 10.00 C ATOM 1515 O ALA A 102 -6.980 12.002 -5.243 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.141 11.859 -8.302 1.00 10.00 C ATOM 0 H ALA A 102 -4.327 10.396 -8.170 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.296 12.119 -7.265 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -7.650 12.696 -7.824 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -6.697 12.192 -9.240 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -7.859 11.064 -8.502 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.598 9.841 -5.570 1.00 10.00 N ATOM 1523 CA GLY A 103 -6.938 9.411 -4.259 1.00 10.00 C ATOM 1524 C GLY A 103 -6.215 8.132 -4.016 1.00 10.00 C ATOM 1525 O GLY A 103 -5.596 7.622 -4.947 1.00 10.00 O ATOM 0 H GLY A 103 -6.363 9.070 -6.195 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -6.652 10.161 -3.521 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.015 9.268 -4.168 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.232 7.625 -2.820 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.629 6.334 -2.541 1.00 10.00 C ATOM 1531 C TRP A 104 -6.675 5.232 -2.735 1.00 10.00 C ATOM 1532 O TRP A 104 -7.848 5.426 -2.413 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.948 6.343 -1.153 1.00 10.00 C ATOM 1534 CG TRP A 104 -4.501 5.024 -0.596 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -3.263 4.451 -0.649 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -5.309 4.148 0.149 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -3.279 3.255 0.009 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -4.536 3.051 0.512 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -6.627 4.189 0.539 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -5.068 2.013 1.253 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -7.142 3.209 1.244 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -6.393 2.136 1.605 1.00 10.00 C ATOM 0 H TRP A 104 -6.656 8.079 -2.011 1.00 10.00 H new ATOM 0 HA TRP A 104 -4.827 6.120 -3.247 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -4.078 6.998 -1.209 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.640 6.792 -0.441 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -2.401 4.879 -1.138 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -2.487 2.620 0.109 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -7.242 5.033 0.263 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -4.478 1.155 1.539 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -8.179 3.257 1.542 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -6.852 1.352 2.188 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.270 4.131 -3.357 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.167 3.032 -3.665 1.00 10.00 C ATOM 1555 C HIS A 105 -6.648 1.775 -2.998 1.00 10.00 C ATOM 1556 O HIS A 105 -5.495 1.739 -2.605 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.228 2.831 -5.188 1.00 10.00 C ATOM 1558 CG HIS A 105 -7.871 3.960 -5.954 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -9.126 3.888 -6.505 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -7.399 5.186 -6.280 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -9.397 5.015 -7.133 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -8.363 5.818 -7.010 1.00 10.00 N ATOM 0 H HIS A 105 -5.308 3.978 -3.661 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.169 3.253 -3.297 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.214 2.689 -5.562 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -7.776 1.912 -5.397 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -6.434 5.591 -6.011 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -10.313 5.240 -7.659 1.00 10.00 H new ATOM 0 HE2 HIS A 105 -8.293 6.759 -7.397 1.00 10.00 H new ATOM 1571 N MET A 106 -7.457 0.755 -2.893 1.00 10.00 N ATOM 1572 CA MET A 106 -7.037 -0.456 -2.222 1.00 10.00 C ATOM 1573 C MET A 106 -7.802 -1.628 -2.831 1.00 10.00 C ATOM 1574 O MET A 106 -8.990 -1.504 -3.124 1.00 10.00 O ATOM 1575 CB MET A 106 -7.380 -0.337 -0.726 1.00 10.00 C ATOM 1576 CG MET A 106 -6.462 -1.065 0.272 1.00 10.00 C ATOM 1577 SD MET A 106 -6.233 -2.817 -0.042 1.00 10.00 S ATOM 1578 CE MET A 106 -5.439 -3.376 1.475 1.00 10.00 C ATOM 0 H MET A 106 -8.408 0.733 -3.260 1.00 10.00 H new ATOM 0 HA MET A 106 -5.964 -0.611 -2.337 1.00 10.00 H new ATOM 0 HB2 MET A 106 -7.388 0.721 -0.466 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.395 -0.708 -0.583 1.00 10.00 H new ATOM 0 HG2 MET A 106 -5.486 -0.580 0.264 1.00 10.00 H new ATOM 0 HG3 MET A 106 -6.871 -0.942 1.275 1.00 10.00 H new ATOM 0 HE1 MET A 106 -4.570 -3.985 1.228 1.00 10.00 H new ATOM 0 HE2 MET A 106 -5.122 -2.512 2.060 1.00 10.00 H new ATOM 0 HE3 MET A 106 -6.144 -3.969 2.057 1.00 10.00 H new ATOM 1588 N GLN A 107 -7.121 -2.726 -3.085 1.00 10.00 N ATOM 1589 CA GLN A 107 -7.771 -3.930 -3.583 1.00 10.00 C ATOM 1590 C GLN A 107 -8.633 -4.567 -2.504 1.00 10.00 C ATOM 1591 O GLN A 107 -9.727 -5.052 -2.783 1.00 10.00 O ATOM 1592 CB GLN A 107 -6.742 -4.939 -4.148 1.00 10.00 C ATOM 1593 CG GLN A 107 -7.270 -6.376 -4.444 1.00 10.00 C ATOM 1594 CD GLN A 107 -8.322 -6.525 -5.571 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -8.371 -7.561 -6.237 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -9.185 -5.556 -5.764 1.00 10.00 N ATOM 0 H GLN A 107 -6.113 -2.814 -2.956 1.00 10.00 H new ATOM 0 HA GLN A 107 -8.423 -3.638 -4.406 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -6.333 -4.529 -5.071 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -5.917 -5.017 -3.440 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -6.416 -7.005 -4.694 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -7.701 -6.774 -3.525 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -9.130 -4.705 -5.204 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -9.911 -5.653 -6.474 1.00 10.00 H new