USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 717 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 96 GLN : amide:sc= -0.88 K(o=-1.2,f=-2.4) USER MOD Set 1.2: A 106 SER OG : rot 138:sc= -0.314 USER MOD Set 2.1: A 52 GLN : amide:sc= -0.989 K(o=-1.4,f=-4.8!) USER MOD Set 2.2: A 103 THR OG1 : rot -127:sc= -0.4 USER MOD Set 3.1: A 28 THR OG1 : rot 145:sc= -0.419 USER MOD Set 3.2: A 31 SER OG : rot -64:sc= 0.0446! USER MOD Single : A 20 MET CE :methyl 161:sc= -0.0192 (180deg=-0.39) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0174 X(o=-0.017,f=-0.068) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 30 GLN : amide:sc= -0.042 X(o=-0.042,f=-0.51) USER MOD Single : A 33 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.26) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -5.15! C(o=-5.1!,f=-8.4!) USER MOD Single : A 45 ASN : amide:sc= -0.229 K(o=-0.23,f=-2.3) USER MOD Single : A 51 TYR OH : rot 80:sc= -1.62 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -154:sc= -2.12 (180deg=-3.47!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -98:sc= 0.848 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.205 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.553) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 15:sc= -0.716 USER MOD Single : A 99 ASN : amide:sc= -5.15 K(o=-5.2,f=-17!) USER MOD Single : A 107 SER OG : rot 110:sc= -1.88! USER MOD Single : A 108 SER OG : rot -75:sc= 0.136 USER MOD Single : A 111 ASN : amide:sc=-0.00432 X(o=-0.0043,f=-0.11) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.855 USER MOD Single : A 114 THR OG1 : rot 176:sc= -0.0659 USER MOD ----------------------------------------------------------------- ATOM 150 N ALA A 14 12.035 11.453 -3.375 1.00 0.00 N ATOM 151 CA ALA A 14 10.778 10.739 -3.521 1.00 0.00 C ATOM 152 C ALA A 14 10.934 9.652 -4.586 1.00 0.00 C ATOM 153 O ALA A 14 11.736 9.792 -5.508 1.00 0.00 O ATOM 154 CB ALA A 14 9.663 11.731 -3.859 1.00 0.00 C ATOM 0 HA ALA A 14 10.505 10.248 -2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.720 11.195 -3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.573 12.464 -3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.901 12.241 -4.792 1.00 0.00 H new ATOM 160 N PRO A 15 10.135 8.565 -4.419 1.00 0.00 N ATOM 161 CA PRO A 15 10.176 7.454 -5.356 1.00 0.00 C ATOM 162 C PRO A 15 9.472 7.815 -6.665 1.00 0.00 C ATOM 163 O PRO A 15 8.288 8.148 -6.666 1.00 0.00 O ATOM 164 CB PRO A 15 9.515 6.298 -4.624 1.00 0.00 C ATOM 165 CG PRO A 15 8.715 6.923 -3.493 1.00 0.00 C ATOM 166 CD PRO A 15 9.173 8.364 -3.339 1.00 0.00 C ATOM 0 HA PRO A 15 11.191 7.191 -5.653 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.868 5.731 -5.293 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.261 5.603 -4.237 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.648 6.883 -3.713 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.870 6.372 -2.566 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.335 9.057 -3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.631 8.532 -2.364 1.00 0.00 H new ATOM 174 N ASP A 16 10.230 7.735 -7.749 1.00 0.00 N ATOM 175 CA ASP A 16 9.693 8.049 -9.062 1.00 0.00 C ATOM 176 C ASP A 16 9.158 6.770 -9.709 1.00 0.00 C ATOM 177 O ASP A 16 9.259 6.594 -10.922 1.00 0.00 O ATOM 178 CB ASP A 16 10.776 8.623 -9.977 1.00 0.00 C ATOM 179 CG ASP A 16 11.057 10.116 -9.789 1.00 0.00 C ATOM 180 OD1 ASP A 16 10.067 10.876 -9.729 1.00 0.00 O ATOM 181 OD2 ASP A 16 12.256 10.462 -9.710 1.00 0.00 O ATOM 0 H ASP A 16 11.211 7.457 -7.745 1.00 0.00 H new ATOM 0 HA ASP A 16 8.900 8.786 -8.934 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.701 8.071 -9.811 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.484 8.451 -11.013 1.00 0.00 H new ATOM 186 N GLY A 17 8.600 5.909 -8.869 1.00 0.00 N ATOM 187 CA GLY A 17 8.049 4.651 -9.344 1.00 0.00 C ATOM 188 C GLY A 17 7.315 3.916 -8.220 1.00 0.00 C ATOM 189 O GLY A 17 7.800 3.857 -7.091 1.00 0.00 O ATOM 0 H GLY A 17 8.518 6.058 -7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.363 4.839 -10.170 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.850 4.022 -9.732 1.00 0.00 H new ATOM 193 N PRO A 18 6.128 3.358 -8.578 1.00 0.00 N ATOM 194 CA PRO A 18 5.322 2.629 -7.614 1.00 0.00 C ATOM 195 C PRO A 18 5.922 1.251 -7.328 1.00 0.00 C ATOM 196 O PRO A 18 6.887 0.845 -7.974 1.00 0.00 O ATOM 197 CB PRO A 18 3.936 2.557 -8.233 1.00 0.00 C ATOM 198 CG PRO A 18 4.127 2.836 -9.715 1.00 0.00 C ATOM 199 CD PRO A 18 5.522 3.408 -9.906 1.00 0.00 C ATOM 0 HA PRO A 18 5.284 3.120 -6.642 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.488 1.576 -8.075 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.268 3.289 -7.781 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.007 1.920 -10.294 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.374 3.539 -10.071 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.095 2.823 -10.625 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.483 4.429 -10.285 1.00 0.00 H new ATOM 207 N PRO A 19 5.310 0.552 -6.335 1.00 0.00 N ATOM 208 CA PRO A 19 5.774 -0.772 -5.957 1.00 0.00 C ATOM 209 C PRO A 19 5.358 -1.816 -6.995 1.00 0.00 C ATOM 210 O PRO A 19 4.333 -1.665 -7.657 1.00 0.00 O ATOM 211 CB PRO A 19 5.168 -1.024 -4.586 1.00 0.00 C ATOM 212 CG PRO A 19 4.019 -0.038 -4.450 1.00 0.00 C ATOM 213 CD PRO A 19 4.165 1.002 -5.550 1.00 0.00 C ATOM 0 HA PRO A 19 6.861 -0.841 -5.917 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.814 -2.051 -4.499 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.907 -0.874 -3.799 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.062 -0.553 -4.536 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.038 0.438 -3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.264 1.061 -6.161 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.335 1.996 -5.136 1.00 0.00 H new ATOM 221 N MET A 20 6.176 -2.853 -7.105 1.00 0.00 N ATOM 222 CA MET A 20 5.906 -3.922 -8.052 1.00 0.00 C ATOM 223 C MET A 20 5.459 -5.194 -7.329 1.00 0.00 C ATOM 224 O MET A 20 5.565 -5.288 -6.107 1.00 0.00 O ATOM 225 CB MET A 20 7.169 -4.214 -8.865 1.00 0.00 C ATOM 226 CG MET A 20 7.793 -2.920 -9.392 1.00 0.00 C ATOM 227 SD MET A 20 9.000 -3.294 -10.653 1.00 0.00 S ATOM 228 CE MET A 20 7.916 -3.620 -12.033 1.00 0.00 C ATOM 0 H MET A 20 7.026 -2.976 -6.554 1.00 0.00 H new ATOM 0 HA MET A 20 5.102 -3.601 -8.715 1.00 0.00 H new ATOM 0 HB2 MET A 20 7.891 -4.744 -8.244 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.925 -4.871 -9.700 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.017 -2.272 -9.800 1.00 0.00 H new ATOM 0 HG3 MET A 20 8.266 -2.375 -8.575 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.477 -3.539 -12.964 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.506 -4.626 -11.944 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.102 -2.895 -12.036 1.00 0.00 H new ATOM 238 N ASP A 21 4.968 -6.141 -8.115 1.00 0.00 N ATOM 239 CA ASP A 21 4.505 -7.404 -7.566 1.00 0.00 C ATOM 240 C ASP A 21 3.438 -7.131 -6.503 1.00 0.00 C ATOM 241 O ASP A 21 3.258 -7.925 -5.581 1.00 0.00 O ATOM 242 CB ASP A 21 5.650 -8.169 -6.900 1.00 0.00 C ATOM 243 CG ASP A 21 5.475 -9.688 -6.859 1.00 0.00 C ATOM 244 OD1 ASP A 21 4.705 -10.194 -7.704 1.00 0.00 O ATOM 245 OD2 ASP A 21 6.115 -10.310 -5.983 1.00 0.00 O ATOM 0 H ASP A 21 4.881 -6.059 -9.128 1.00 0.00 H new ATOM 0 HA ASP A 21 4.102 -8.000 -8.385 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.576 -7.939 -7.428 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.766 -7.804 -5.879 1.00 0.00 H new ATOM 250 N VAL A 22 2.758 -6.006 -6.668 1.00 0.00 N ATOM 251 CA VAL A 22 1.714 -5.619 -5.734 1.00 0.00 C ATOM 252 C VAL A 22 0.398 -6.283 -6.143 1.00 0.00 C ATOM 253 O VAL A 22 -0.114 -6.035 -7.234 1.00 0.00 O ATOM 254 CB VAL A 22 1.617 -4.094 -5.661 1.00 0.00 C ATOM 255 CG1 VAL A 22 2.870 -3.436 -6.242 1.00 0.00 C ATOM 256 CG2 VAL A 22 0.356 -3.590 -6.366 1.00 0.00 C ATOM 0 H VAL A 22 2.909 -5.350 -7.434 1.00 0.00 H new ATOM 0 HA VAL A 22 1.953 -5.965 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 22 1.548 -3.813 -4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.775 -2.352 -6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.745 -3.758 -5.677 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.984 -3.729 -7.286 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.312 -2.503 -6.299 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.381 -3.888 -7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.524 -4.019 -5.888 1.00 0.00 H new ATOM 266 N THR A 23 -0.113 -7.114 -5.247 1.00 0.00 N ATOM 267 CA THR A 23 -1.359 -7.816 -5.501 1.00 0.00 C ATOM 268 C THR A 23 -2.057 -8.158 -4.183 1.00 0.00 C ATOM 269 O THR A 23 -1.399 -8.421 -3.178 1.00 0.00 O ATOM 270 CB THR A 23 -1.045 -9.043 -6.359 1.00 0.00 C ATOM 271 OG1 THR A 23 -2.263 -9.306 -7.049 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.813 -10.301 -5.518 1.00 0.00 C ATOM 0 H THR A 23 0.314 -7.317 -4.343 1.00 0.00 H new ATOM 0 HA THR A 23 -2.061 -7.189 -6.051 1.00 0.00 H new ATOM 0 HB THR A 23 -0.162 -8.845 -6.967 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.148 -10.086 -7.630 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.594 -11.143 -6.175 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.028 -10.138 -4.844 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.708 -10.519 -4.935 1.00 0.00 H new ATOM 280 N LEU A 24 -3.381 -8.143 -4.231 1.00 0.00 N ATOM 281 CA LEU A 24 -4.176 -8.448 -3.053 1.00 0.00 C ATOM 282 C LEU A 24 -4.438 -9.954 -2.996 1.00 0.00 C ATOM 283 O LEU A 24 -4.243 -10.659 -3.985 1.00 0.00 O ATOM 284 CB LEU A 24 -5.449 -7.601 -3.032 1.00 0.00 C ATOM 285 CG LEU A 24 -5.248 -6.085 -3.085 1.00 0.00 C ATOM 286 CD1 LEU A 24 -3.968 -5.676 -2.353 1.00 0.00 C ATOM 287 CD2 LEU A 24 -5.269 -5.580 -4.529 1.00 0.00 C ATOM 0 H LEU A 24 -3.923 -7.924 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.631 -8.185 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.071 -7.895 -3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.007 -7.842 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.081 -5.611 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.849 -4.594 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.032 -5.984 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.111 -6.159 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.124 -4.500 -4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.469 -6.059 -5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.229 -5.821 -4.985 1.00 0.00 H new ATOM 299 N GLN A 25 -4.876 -10.403 -1.829 1.00 0.00 N ATOM 300 CA GLN A 25 -5.167 -11.813 -1.631 1.00 0.00 C ATOM 301 C GLN A 25 -6.087 -12.000 -0.423 1.00 0.00 C ATOM 302 O GLN A 25 -5.711 -11.679 0.704 1.00 0.00 O ATOM 303 CB GLN A 25 -3.878 -12.621 -1.469 1.00 0.00 C ATOM 304 CG GLN A 25 -3.986 -13.972 -2.179 1.00 0.00 C ATOM 305 CD GLN A 25 -2.611 -14.460 -2.641 1.00 0.00 C ATOM 306 OE1 GLN A 25 -1.925 -13.817 -3.418 1.00 0.00 O ATOM 307 NE2 GLN A 25 -2.249 -15.629 -2.121 1.00 0.00 N ATOM 0 H GLN A 25 -5.036 -9.815 -1.011 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.682 -12.186 -2.516 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.038 -12.058 -1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.673 -12.778 -0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.429 -14.706 -1.506 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.652 -13.884 -3.037 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.872 -16.115 -1.476 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.348 -16.040 -2.367 1.00 0.00 H new ATOM 316 N PRO A 26 -7.306 -12.532 -0.705 1.00 0.00 N ATOM 317 CA PRO A 26 -8.283 -12.766 0.345 1.00 0.00 C ATOM 318 C PRO A 26 -7.904 -13.989 1.183 1.00 0.00 C ATOM 319 O PRO A 26 -7.898 -15.112 0.681 1.00 0.00 O ATOM 320 CB PRO A 26 -9.608 -12.929 -0.380 1.00 0.00 C ATOM 321 CG PRO A 26 -9.257 -13.244 -1.825 1.00 0.00 C ATOM 322 CD PRO A 26 -7.785 -12.924 -2.028 1.00 0.00 C ATOM 0 HA PRO A 26 -8.336 -11.947 1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.199 -13.731 0.062 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -10.205 -12.019 -0.312 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.453 -14.293 -2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.873 -12.655 -2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.240 -13.789 -2.406 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.650 -12.121 -2.752 1.00 0.00 H new ATOM 330 N VAL A 27 -7.599 -13.730 2.446 1.00 0.00 N ATOM 331 CA VAL A 27 -7.221 -14.795 3.358 1.00 0.00 C ATOM 332 C VAL A 27 -8.362 -15.043 4.347 1.00 0.00 C ATOM 333 O VAL A 27 -8.612 -16.182 4.738 1.00 0.00 O ATOM 334 CB VAL A 27 -5.898 -14.451 4.045 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.708 -14.803 3.151 1.00 0.00 C ATOM 336 CG2 VAL A 27 -5.860 -12.977 4.454 1.00 0.00 C ATOM 0 H VAL A 27 -7.606 -12.797 2.859 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.056 -15.724 2.813 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.825 -15.052 4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.780 -14.548 3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.721 -15.871 2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.774 -14.241 2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.909 -12.759 4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.967 -12.351 3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.677 -12.770 5.145 1.00 0.00 H new ATOM 346 N THR A 28 -9.023 -13.958 4.723 1.00 0.00 N ATOM 347 CA THR A 28 -10.131 -14.043 5.658 1.00 0.00 C ATOM 348 C THR A 28 -11.418 -13.533 5.008 1.00 0.00 C ATOM 349 O THR A 28 -11.488 -13.392 3.788 1.00 0.00 O ATOM 350 CB THR A 28 -9.743 -13.273 6.922 1.00 0.00 C ATOM 351 OG1 THR A 28 -9.689 -11.914 6.498 1.00 0.00 O ATOM 352 CG2 THR A 28 -8.314 -13.579 7.378 1.00 0.00 C ATOM 0 H THR A 28 -8.812 -13.015 4.397 1.00 0.00 H new ATOM 0 HA THR A 28 -10.333 -15.077 5.938 1.00 0.00 H new ATOM 0 HB THR A 28 -10.440 -13.517 7.724 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.996 -11.332 7.225 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.089 -13.007 8.278 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.220 -14.644 7.591 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.614 -13.304 6.589 1.00 0.00 H new ATOM 360 N SER A 29 -12.406 -13.272 5.851 1.00 0.00 N ATOM 361 CA SER A 29 -13.688 -12.781 5.374 1.00 0.00 C ATOM 362 C SER A 29 -13.689 -11.251 5.358 1.00 0.00 C ATOM 363 O SER A 29 -14.201 -10.637 4.423 1.00 0.00 O ATOM 364 CB SER A 29 -14.835 -13.304 6.240 1.00 0.00 C ATOM 365 OG SER A 29 -14.492 -13.327 7.623 1.00 0.00 O ATOM 0 H SER A 29 -12.345 -13.391 6.862 1.00 0.00 H new ATOM 0 HA SER A 29 -13.839 -13.149 4.359 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.714 -12.676 6.095 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.104 -14.309 5.916 1.00 0.00 H new ATOM 0 HG SER A 29 -15.251 -13.665 8.143 1.00 0.00 H new ATOM 371 N GLN A 30 -13.110 -10.680 6.404 1.00 0.00 N ATOM 372 CA GLN A 30 -13.038 -9.233 6.522 1.00 0.00 C ATOM 373 C GLN A 30 -11.581 -8.782 6.638 1.00 0.00 C ATOM 374 O GLN A 30 -11.227 -8.045 7.557 1.00 0.00 O ATOM 375 CB GLN A 30 -13.862 -8.738 7.712 1.00 0.00 C ATOM 376 CG GLN A 30 -15.337 -9.114 7.553 1.00 0.00 C ATOM 377 CD GLN A 30 -16.119 -8.820 8.835 1.00 0.00 C ATOM 378 OE1 GLN A 30 -15.699 -8.054 9.687 1.00 0.00 O ATOM 379 NE2 GLN A 30 -17.276 -9.469 8.923 1.00 0.00 N ATOM 0 H GLN A 30 -12.686 -11.193 7.177 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.463 -8.793 5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.471 -9.168 8.634 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.766 -7.656 7.800 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.771 -8.557 6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.422 -10.172 7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -17.567 -10.096 8.173 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.872 -9.340 9.741 1.00 0.00 H new ATOM 388 N SER A 31 -10.775 -9.243 5.692 1.00 0.00 N ATOM 389 CA SER A 31 -9.364 -8.896 5.677 1.00 0.00 C ATOM 390 C SER A 31 -8.705 -9.443 4.410 1.00 0.00 C ATOM 391 O SER A 31 -9.011 -10.553 3.976 1.00 0.00 O ATOM 392 CB SER A 31 -8.652 -9.432 6.920 1.00 0.00 C ATOM 393 OG SER A 31 -9.570 -9.925 7.891 1.00 0.00 O ATOM 0 H SER A 31 -11.072 -9.854 4.931 1.00 0.00 H new ATOM 0 HA SER A 31 -9.278 -7.809 5.683 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.968 -10.230 6.630 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.048 -8.639 7.362 1.00 0.00 H new ATOM 0 HG SER A 31 -10.131 -9.189 8.214 1.00 0.00 H new ATOM 399 N ILE A 32 -7.812 -8.640 3.851 1.00 0.00 N ATOM 400 CA ILE A 32 -7.106 -9.030 2.642 1.00 0.00 C ATOM 401 C ILE A 32 -5.613 -8.739 2.812 1.00 0.00 C ATOM 402 O ILE A 32 -5.235 -7.802 3.513 1.00 0.00 O ATOM 403 CB ILE A 32 -7.728 -8.356 1.418 1.00 0.00 C ATOM 404 CG1 ILE A 32 -9.198 -8.751 1.262 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.917 -8.655 0.156 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.884 -7.902 0.190 1.00 0.00 C ATOM 0 H ILE A 32 -7.561 -7.720 4.213 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.205 -10.102 2.472 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.699 -7.277 1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.268 -9.806 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.714 -8.628 2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.381 -8.164 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.900 -8.283 0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.891 -9.731 -0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.928 -8.204 0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.833 -6.850 0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.381 -8.047 -0.766 1.00 0.00 H new ATOM 418 N GLN A 33 -4.805 -9.561 2.158 1.00 0.00 N ATOM 419 CA GLN A 33 -3.363 -9.404 2.227 1.00 0.00 C ATOM 420 C GLN A 33 -2.859 -8.591 1.033 1.00 0.00 C ATOM 421 O GLN A 33 -3.406 -8.689 -0.064 1.00 0.00 O ATOM 422 CB GLN A 33 -2.666 -10.764 2.298 1.00 0.00 C ATOM 423 CG GLN A 33 -1.171 -10.601 2.578 1.00 0.00 C ATOM 424 CD GLN A 33 -0.512 -11.955 2.846 1.00 0.00 C ATOM 425 OE1 GLN A 33 -0.877 -12.975 2.284 1.00 0.00 O ATOM 426 NE2 GLN A 33 0.477 -11.910 3.734 1.00 0.00 N ATOM 0 H GLN A 33 -5.122 -10.338 1.578 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.120 -8.860 3.140 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.122 -11.370 3.081 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.807 -11.298 1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.689 -10.120 1.727 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.028 -9.946 3.438 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.733 -11.023 4.168 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.980 -12.762 3.981 1.00 0.00 H new ATOM 435 N VAL A 34 -1.822 -7.807 1.287 1.00 0.00 N ATOM 436 CA VAL A 34 -1.238 -6.977 0.246 1.00 0.00 C ATOM 437 C VAL A 34 0.278 -7.182 0.227 1.00 0.00 C ATOM 438 O VAL A 34 0.985 -6.698 1.110 1.00 0.00 O ATOM 439 CB VAL A 34 -1.641 -5.516 0.454 1.00 0.00 C ATOM 440 CG1 VAL A 34 -1.203 -4.653 -0.731 1.00 0.00 C ATOM 441 CG2 VAL A 34 -3.147 -5.392 0.695 1.00 0.00 C ATOM 0 H VAL A 34 -1.371 -7.729 2.198 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.618 -7.269 -0.733 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.128 -5.150 1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.502 -3.619 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.120 -4.705 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.676 -5.019 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.407 -4.343 0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.687 -5.784 -0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.421 -5.960 1.584 1.00 0.00 H new ATOM 451 N THR A 35 0.733 -7.901 -0.789 1.00 0.00 N ATOM 452 CA THR A 35 2.153 -8.176 -0.934 1.00 0.00 C ATOM 453 C THR A 35 2.701 -7.499 -2.192 1.00 0.00 C ATOM 454 O THR A 35 2.103 -7.595 -3.263 1.00 0.00 O ATOM 455 CB THR A 35 2.343 -9.694 -0.929 1.00 0.00 C ATOM 456 OG1 THR A 35 1.162 -10.194 -1.550 1.00 0.00 O ATOM 457 CG2 THR A 35 2.301 -10.284 0.482 1.00 0.00 C ATOM 0 H THR A 35 0.144 -8.301 -1.519 1.00 0.00 H new ATOM 0 HA THR A 35 2.724 -7.760 -0.104 1.00 0.00 H new ATOM 0 HB THR A 35 3.295 -9.942 -1.398 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.202 -11.172 -1.590 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.441 -11.364 0.429 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.096 -9.844 1.084 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.336 -10.065 0.939 1.00 0.00 H new ATOM 465 N TRP A 36 3.831 -6.830 -2.021 1.00 0.00 N ATOM 466 CA TRP A 36 4.466 -6.137 -3.129 1.00 0.00 C ATOM 467 C TRP A 36 5.981 -6.284 -2.972 1.00 0.00 C ATOM 468 O TRP A 36 6.454 -6.865 -1.996 1.00 0.00 O ATOM 469 CB TRP A 36 4.011 -4.678 -3.197 1.00 0.00 C ATOM 470 CG TRP A 36 4.371 -3.855 -1.958 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.486 -3.146 -1.734 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.562 -3.684 -0.775 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.455 -2.533 -0.498 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.248 -2.870 0.104 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.293 -4.199 -0.458 1.00 0.00 C ATOM 476 CZ2 TRP A 36 3.746 -2.500 1.357 1.00 0.00 C ATOM 477 CZ3 TRP A 36 1.805 -3.819 0.798 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.483 -3.001 1.694 1.00 0.00 C ATOM 0 H TRP A 36 4.324 -6.753 -1.131 1.00 0.00 H new ATOM 0 HA TRP A 36 4.170 -6.578 -4.081 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.458 -4.209 -4.074 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.930 -4.651 -3.337 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.305 -3.065 -2.433 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.184 -1.941 -0.099 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.738 -4.837 -1.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.303 -1.862 2.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.833 -4.188 1.091 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.037 -2.753 2.646 1.00 0.00 H new ATOM 489 N LYS A 37 6.700 -5.747 -3.947 1.00 0.00 N ATOM 490 CA LYS A 37 8.151 -5.811 -3.930 1.00 0.00 C ATOM 491 C LYS A 37 8.722 -4.407 -4.144 1.00 0.00 C ATOM 492 O LYS A 37 8.006 -3.500 -4.567 1.00 0.00 O ATOM 493 CB LYS A 37 8.654 -6.840 -4.943 1.00 0.00 C ATOM 494 CG LYS A 37 8.453 -8.265 -4.424 1.00 0.00 C ATOM 495 CD LYS A 37 9.445 -9.232 -5.074 1.00 0.00 C ATOM 496 CE LYS A 37 10.256 -9.980 -4.015 1.00 0.00 C ATOM 497 NZ LYS A 37 11.180 -10.943 -4.654 1.00 0.00 N ATOM 0 H LYS A 37 6.304 -5.265 -4.754 1.00 0.00 H new ATOM 0 HA LYS A 37 8.505 -6.155 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.124 -6.715 -5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.711 -6.669 -5.146 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.579 -8.282 -3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.434 -8.591 -4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.907 -9.947 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.118 -8.681 -5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.822 -9.269 -3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.583 -10.507 -3.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.723 -11.442 -3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.634 -11.632 -5.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.834 -10.433 -5.282 1.00 0.00 H new ATOM 511 N ALA A 38 10.005 -4.272 -3.842 1.00 0.00 N ATOM 512 CA ALA A 38 10.679 -2.995 -3.995 1.00 0.00 C ATOM 513 C ALA A 38 10.286 -2.374 -5.337 1.00 0.00 C ATOM 514 O ALA A 38 10.231 -3.065 -6.353 1.00 0.00 O ATOM 515 CB ALA A 38 12.191 -3.197 -3.867 1.00 0.00 C ATOM 0 H ALA A 38 10.595 -5.027 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 38 10.374 -2.304 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.697 -2.238 -3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.421 -3.613 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.533 -3.883 -4.642 1.00 0.00 H new ATOM 521 N PRO A 39 10.016 -1.041 -5.297 1.00 0.00 N ATOM 522 CA PRO A 39 9.629 -0.319 -6.497 1.00 0.00 C ATOM 523 C PRO A 39 10.836 -0.082 -7.407 1.00 0.00 C ATOM 524 O PRO A 39 11.683 0.761 -7.114 1.00 0.00 O ATOM 525 CB PRO A 39 9.002 0.971 -5.994 1.00 0.00 C ATOM 526 CG PRO A 39 9.477 1.135 -4.560 1.00 0.00 C ATOM 527 CD PRO A 39 10.072 -0.190 -4.112 1.00 0.00 C ATOM 0 HA PRO A 39 8.923 -0.875 -7.114 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.309 1.819 -6.606 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.914 0.921 -6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.220 1.930 -4.492 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.647 1.419 -3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.097 -0.066 -3.762 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.504 -0.621 -3.288 1.00 0.00 H new ATOM 535 N LYS A 40 10.877 -0.841 -8.492 1.00 0.00 N ATOM 536 CA LYS A 40 11.966 -0.724 -9.447 1.00 0.00 C ATOM 537 C LYS A 40 13.299 -0.725 -8.696 1.00 0.00 C ATOM 538 O LYS A 40 13.332 -0.924 -7.482 1.00 0.00 O ATOM 539 CB LYS A 40 11.765 0.501 -10.341 1.00 0.00 C ATOM 540 CG LYS A 40 11.059 0.120 -11.644 1.00 0.00 C ATOM 541 CD LYS A 40 9.540 0.128 -11.466 1.00 0.00 C ATOM 542 CE LYS A 40 8.829 0.043 -12.819 1.00 0.00 C ATOM 543 NZ LYS A 40 8.282 1.364 -13.201 1.00 0.00 N ATOM 0 H LYS A 40 10.173 -1.540 -8.731 1.00 0.00 H new ATOM 0 HA LYS A 40 11.977 -1.582 -10.119 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.177 1.250 -9.810 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.731 0.954 -10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.340 0.819 -12.432 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.386 -0.869 -11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.239 -0.712 -10.840 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.236 1.037 -10.948 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.527 -0.303 -13.582 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.024 -0.690 -12.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.803 1.289 -14.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.601 1.679 -12.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.057 2.054 -13.270 1.00 0.00 H new ATOM 557 N LYS A 41 14.366 -0.502 -9.449 1.00 0.00 N ATOM 558 CA LYS A 41 15.698 -0.475 -8.869 1.00 0.00 C ATOM 559 C LYS A 41 16.268 0.940 -8.978 1.00 0.00 C ATOM 560 O LYS A 41 16.715 1.511 -7.984 1.00 0.00 O ATOM 561 CB LYS A 41 16.583 -1.545 -9.512 1.00 0.00 C ATOM 562 CG LYS A 41 18.066 -1.218 -9.321 1.00 0.00 C ATOM 563 CD LYS A 41 18.480 -1.384 -7.858 1.00 0.00 C ATOM 564 CE LYS A 41 20.003 -1.448 -7.723 1.00 0.00 C ATOM 565 NZ LYS A 41 20.446 -2.844 -7.507 1.00 0.00 N ATOM 0 H LYS A 41 14.335 -0.338 -10.455 1.00 0.00 H new ATOM 0 HA LYS A 41 15.657 -0.722 -7.808 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.362 -2.517 -9.072 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.357 -1.618 -10.576 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.670 -1.872 -9.950 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.261 -0.195 -9.644 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.094 -0.551 -7.270 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.037 -2.293 -7.452 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.471 -1.047 -8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.327 -0.824 -6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.482 -2.870 -7.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.014 -3.215 -6.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.154 -3.430 -8.315 1.00 0.00 H new ATOM 579 N GLU A 42 16.235 1.466 -10.193 1.00 0.00 N ATOM 580 CA GLU A 42 16.743 2.804 -10.444 1.00 0.00 C ATOM 581 C GLU A 42 15.624 3.836 -10.281 1.00 0.00 C ATOM 582 O GLU A 42 15.573 4.822 -11.014 1.00 0.00 O ATOM 583 CB GLU A 42 17.377 2.898 -11.833 1.00 0.00 C ATOM 584 CG GLU A 42 16.307 2.883 -12.927 1.00 0.00 C ATOM 585 CD GLU A 42 16.909 2.486 -14.277 1.00 0.00 C ATOM 586 OE1 GLU A 42 17.902 3.136 -14.668 1.00 0.00 O ATOM 587 OE2 GLU A 42 16.361 1.542 -14.887 1.00 0.00 O ATOM 0 H GLU A 42 15.864 0.990 -11.015 1.00 0.00 H new ATOM 0 HA GLU A 42 17.520 3.020 -9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.965 3.813 -11.907 1.00 0.00 H new ATOM 0 HB3 GLU A 42 18.064 2.065 -11.980 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.516 2.183 -12.658 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.848 3.868 -13.005 1.00 0.00 H new ATOM 594 N LEU A 43 14.756 3.572 -9.315 1.00 0.00 N ATOM 595 CA LEU A 43 13.642 4.465 -9.047 1.00 0.00 C ATOM 596 C LEU A 43 13.582 4.763 -7.547 1.00 0.00 C ATOM 597 O LEU A 43 13.349 5.901 -7.145 1.00 0.00 O ATOM 598 CB LEU A 43 12.343 3.886 -9.611 1.00 0.00 C ATOM 599 CG LEU A 43 12.084 4.143 -11.097 1.00 0.00 C ATOM 600 CD1 LEU A 43 10.695 3.647 -11.505 1.00 0.00 C ATOM 601 CD2 LEU A 43 12.291 5.619 -11.443 1.00 0.00 C ATOM 0 H LEU A 43 14.802 2.753 -8.709 1.00 0.00 H new ATOM 0 HA LEU A 43 13.787 5.418 -9.556 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.346 2.809 -9.444 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.509 4.295 -9.041 1.00 0.00 H new ATOM 0 HG LEU A 43 12.812 3.573 -11.674 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.536 3.842 -12.566 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.622 2.576 -11.318 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.936 4.170 -10.923 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.101 5.774 -12.505 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.603 6.230 -10.858 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.317 5.906 -11.213 1.00 0.00 H new ATOM 613 N GLN A 44 13.797 3.718 -6.760 1.00 0.00 N ATOM 614 CA GLN A 44 13.770 3.853 -5.314 1.00 0.00 C ATOM 615 C GLN A 44 14.272 5.238 -4.901 1.00 0.00 C ATOM 616 O GLN A 44 13.677 5.888 -4.043 1.00 0.00 O ATOM 617 CB GLN A 44 14.593 2.750 -4.645 1.00 0.00 C ATOM 618 CG GLN A 44 14.067 1.365 -5.029 1.00 0.00 C ATOM 619 CD GLN A 44 15.210 0.444 -5.457 1.00 0.00 C ATOM 620 OE1 GLN A 44 16.326 0.870 -5.704 1.00 0.00 O ATOM 621 NE2 GLN A 44 14.871 -0.840 -5.532 1.00 0.00 N ATOM 0 H GLN A 44 13.991 2.775 -7.097 1.00 0.00 H new ATOM 0 HA GLN A 44 12.739 3.746 -4.978 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.638 2.841 -4.941 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.556 2.870 -3.562 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.538 0.925 -4.183 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.347 1.458 -5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.918 -1.130 -5.311 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.564 -1.535 -5.810 1.00 0.00 H new ATOM 630 N ASN A 45 15.363 5.649 -5.530 1.00 0.00 N ATOM 631 CA ASN A 45 15.952 6.945 -5.239 1.00 0.00 C ATOM 632 C ASN A 45 16.324 7.010 -3.756 1.00 0.00 C ATOM 633 O ASN A 45 16.028 7.994 -3.081 1.00 0.00 O ATOM 634 CB ASN A 45 14.964 8.077 -5.529 1.00 0.00 C ATOM 635 CG ASN A 45 14.801 8.290 -7.035 1.00 0.00 C ATOM 636 OD1 ASN A 45 15.493 7.702 -7.850 1.00 0.00 O ATOM 637 ND2 ASN A 45 13.850 9.161 -7.358 1.00 0.00 N ATOM 0 H ASN A 45 15.855 5.107 -6.240 1.00 0.00 H new ATOM 0 HA ASN A 45 16.832 7.065 -5.870 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.997 7.843 -5.084 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.314 8.998 -5.064 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.663 9.372 -8.338 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.307 9.618 -6.626 1.00 0.00 H new ATOM 644 N GLY A 46 16.967 5.948 -3.293 1.00 0.00 N ATOM 645 CA GLY A 46 17.381 5.872 -1.902 1.00 0.00 C ATOM 646 C GLY A 46 16.525 4.867 -1.129 1.00 0.00 C ATOM 647 O GLY A 46 15.424 4.525 -1.558 1.00 0.00 O ATOM 0 H GLY A 46 17.211 5.133 -3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.430 5.580 -1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.299 6.856 -1.440 1.00 0.00 H new ATOM 651 N VAL A 47 17.062 4.424 -0.002 1.00 0.00 N ATOM 652 CA VAL A 47 16.361 3.466 0.835 1.00 0.00 C ATOM 653 C VAL A 47 14.923 3.941 1.052 1.00 0.00 C ATOM 654 O VAL A 47 14.639 5.135 0.960 1.00 0.00 O ATOM 655 CB VAL A 47 17.125 3.256 2.144 1.00 0.00 C ATOM 656 CG1 VAL A 47 16.281 2.473 3.152 1.00 0.00 C ATOM 657 CG2 VAL A 47 18.464 2.560 1.892 1.00 0.00 C ATOM 0 H VAL A 47 17.975 4.711 0.351 1.00 0.00 H new ATOM 0 HA VAL A 47 16.312 2.494 0.344 1.00 0.00 H new ATOM 0 HB VAL A 47 17.333 4.237 2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 47 16.847 2.338 4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 47 15.366 3.025 3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.028 1.498 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 47 18.987 2.423 2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 47 18.288 1.588 1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 47 19.073 3.172 1.227 1.00 0.00 H new ATOM 667 N ILE A 48 14.053 2.983 1.336 1.00 0.00 N ATOM 668 CA ILE A 48 12.651 3.289 1.567 1.00 0.00 C ATOM 669 C ILE A 48 12.357 3.212 3.066 1.00 0.00 C ATOM 670 O ILE A 48 12.776 2.270 3.737 1.00 0.00 O ATOM 671 CB ILE A 48 11.758 2.383 0.717 1.00 0.00 C ATOM 672 CG1 ILE A 48 12.317 2.234 -0.699 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.313 2.885 0.714 1.00 0.00 C ATOM 674 CD1 ILE A 48 12.037 3.486 -1.533 1.00 0.00 C ATOM 0 H ILE A 48 14.292 1.994 1.411 1.00 0.00 H new ATOM 0 HA ILE A 48 12.426 4.307 1.250 1.00 0.00 H new ATOM 0 HB ILE A 48 11.753 1.390 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.391 2.056 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.870 1.364 -1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.699 2.223 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.929 2.896 1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.279 3.894 0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.445 3.354 -2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.961 3.647 -1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.506 4.350 -1.061 1.00 0.00 H new ATOM 686 N ARG A 49 11.638 4.215 3.548 1.00 0.00 N ATOM 687 CA ARG A 49 11.283 4.273 4.956 1.00 0.00 C ATOM 688 C ARG A 49 10.010 3.465 5.216 1.00 0.00 C ATOM 689 O ARG A 49 9.809 2.953 6.316 1.00 0.00 O ATOM 690 CB ARG A 49 11.064 5.717 5.410 1.00 0.00 C ATOM 691 CG ARG A 49 12.370 6.512 5.358 1.00 0.00 C ATOM 692 CD ARG A 49 12.972 6.670 6.756 1.00 0.00 C ATOM 693 NE ARG A 49 14.418 6.356 6.723 1.00 0.00 N ATOM 694 CZ ARG A 49 15.322 7.055 6.024 1.00 0.00 C ATOM 695 NH1 ARG A 49 14.936 8.111 5.296 1.00 0.00 N ATOM 696 NH2 ARG A 49 16.614 6.697 6.053 1.00 0.00 N ATOM 0 H ARG A 49 11.292 4.994 2.988 1.00 0.00 H new ATOM 0 HA ARG A 49 12.110 3.847 5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.319 6.193 4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.668 5.727 6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.082 6.006 4.707 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.185 7.495 4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.821 7.689 7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.464 6.008 7.457 1.00 0.00 H new ATOM 0 HE ARG A 49 14.747 5.558 7.266 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.953 8.383 5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.625 8.643 4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 49 16.908 5.893 6.607 1.00 0.00 H new ATOM 0 HH22 ARG A 49 17.303 7.229 5.521 1.00 0.00 H new ATOM 710 N GLY A 50 9.183 3.375 4.184 1.00 0.00 N ATOM 711 CA GLY A 50 7.935 2.639 4.287 1.00 0.00 C ATOM 712 C GLY A 50 7.056 2.876 3.057 1.00 0.00 C ATOM 713 O GLY A 50 7.453 3.582 2.132 1.00 0.00 O ATOM 0 H GLY A 50 9.353 3.800 3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.144 1.574 4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.400 2.947 5.186 1.00 0.00 H new ATOM 717 N TYR A 51 5.877 2.271 3.087 1.00 0.00 N ATOM 718 CA TYR A 51 4.938 2.407 1.986 1.00 0.00 C ATOM 719 C TYR A 51 3.521 2.661 2.503 1.00 0.00 C ATOM 720 O TYR A 51 3.188 2.280 3.624 1.00 0.00 O ATOM 721 CB TYR A 51 4.965 1.071 1.241 1.00 0.00 C ATOM 722 CG TYR A 51 6.307 0.755 0.579 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.428 0.545 1.357 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.398 0.679 -0.796 1.00 0.00 C ATOM 725 CE1 TYR A 51 8.692 0.247 0.734 1.00 0.00 C ATOM 726 CE2 TYR A 51 7.661 0.381 -1.419 1.00 0.00 C ATOM 727 CZ TYR A 51 8.746 0.180 -0.623 1.00 0.00 C ATOM 728 OH TYR A 51 9.939 -0.102 -1.212 1.00 0.00 O ATOM 0 H TYR A 51 5.551 1.686 3.856 1.00 0.00 H new ATOM 0 HA TYR A 51 5.213 3.247 1.348 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.719 0.272 1.940 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.187 1.077 0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.357 0.604 2.433 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.521 0.843 -1.405 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.577 0.081 1.331 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.745 0.318 -2.494 1.00 0.00 H new ATOM 0 HH TYR A 51 10.103 -1.067 -1.172 1.00 0.00 H new ATOM 738 N GLN A 52 2.724 3.303 1.661 1.00 0.00 N ATOM 739 CA GLN A 52 1.351 3.612 2.019 1.00 0.00 C ATOM 740 C GLN A 52 0.385 2.721 1.236 1.00 0.00 C ATOM 741 O GLN A 52 0.493 2.603 0.016 1.00 0.00 O ATOM 742 CB GLN A 52 1.043 5.092 1.785 1.00 0.00 C ATOM 743 CG GLN A 52 1.514 5.944 2.966 1.00 0.00 C ATOM 744 CD GLN A 52 1.828 7.373 2.521 1.00 0.00 C ATOM 745 OE1 GLN A 52 2.846 7.651 1.909 1.00 0.00 O ATOM 746 NE2 GLN A 52 0.899 8.262 2.861 1.00 0.00 N ATOM 0 H GLN A 52 3.004 3.617 0.732 1.00 0.00 H new ATOM 0 HA GLN A 52 1.220 3.411 3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.532 5.429 0.871 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.029 5.226 1.640 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.744 5.961 3.737 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.402 5.495 3.412 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.070 7.962 3.374 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.016 9.243 2.609 1.00 0.00 H new ATOM 755 N ILE A 53 -0.539 2.116 1.968 1.00 0.00 N ATOM 756 CA ILE A 53 -1.523 1.239 1.357 1.00 0.00 C ATOM 757 C ILE A 53 -2.912 1.868 1.489 1.00 0.00 C ATOM 758 O ILE A 53 -3.528 1.803 2.552 1.00 0.00 O ATOM 759 CB ILE A 53 -1.427 -0.169 1.949 1.00 0.00 C ATOM 760 CG1 ILE A 53 -0.079 -0.813 1.616 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.604 -1.035 1.496 1.00 0.00 C ATOM 762 CD1 ILE A 53 1.002 -0.361 2.599 1.00 0.00 C ATOM 0 H ILE A 53 -0.627 2.216 2.979 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.323 1.126 0.291 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.486 -0.088 3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.173 -1.898 1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.214 -0.547 0.600 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.512 -2.030 1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.538 -0.580 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.602 -1.112 0.409 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.950 -0.833 2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.110 0.722 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.717 -0.650 3.611 1.00 0.00 H new ATOM 774 N GLY A 54 -3.364 2.462 0.395 1.00 0.00 N ATOM 775 CA GLY A 54 -4.668 3.102 0.375 1.00 0.00 C ATOM 776 C GLY A 54 -5.724 2.175 -0.231 1.00 0.00 C ATOM 777 O GLY A 54 -5.734 1.946 -1.439 1.00 0.00 O ATOM 0 H GLY A 54 -2.850 2.514 -0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.958 3.376 1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.615 4.025 -0.202 1.00 0.00 H new ATOM 781 N TYR A 55 -6.587 1.667 0.637 1.00 0.00 N ATOM 782 CA TYR A 55 -7.645 0.771 0.203 1.00 0.00 C ATOM 783 C TYR A 55 -9.022 1.331 0.565 1.00 0.00 C ATOM 784 O TYR A 55 -9.183 1.968 1.604 1.00 0.00 O ATOM 785 CB TYR A 55 -7.425 -0.540 0.962 1.00 0.00 C ATOM 786 CG TYR A 55 -7.572 -0.412 2.479 1.00 0.00 C ATOM 787 CD1 TYR A 55 -8.811 -0.565 3.068 1.00 0.00 C ATOM 788 CD2 TYR A 55 -6.466 -0.143 3.259 1.00 0.00 C ATOM 789 CE1 TYR A 55 -8.950 -0.445 4.496 1.00 0.00 C ATOM 790 CE2 TYR A 55 -6.605 -0.023 4.688 1.00 0.00 C ATOM 791 CZ TYR A 55 -7.840 -0.180 5.236 1.00 0.00 C ATOM 792 OH TYR A 55 -7.970 -0.066 6.584 1.00 0.00 O ATOM 0 H TYR A 55 -6.575 1.859 1.639 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.616 0.638 -0.879 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.137 -1.282 0.599 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.428 -0.917 0.734 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.677 -0.775 2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.497 -0.022 2.799 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.914 -0.563 4.969 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.748 0.187 5.310 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.095 0.123 6.982 1.00 0.00 H new ATOM 802 N ARG A 56 -9.980 1.073 -0.314 1.00 0.00 N ATOM 803 CA ARG A 56 -11.337 1.544 -0.100 1.00 0.00 C ATOM 804 C ARG A 56 -12.328 0.684 -0.887 1.00 0.00 C ATOM 805 O ARG A 56 -12.014 0.211 -1.978 1.00 0.00 O ATOM 806 CB ARG A 56 -11.488 3.005 -0.529 1.00 0.00 C ATOM 807 CG ARG A 56 -11.051 3.197 -1.983 1.00 0.00 C ATOM 808 CD ARG A 56 -12.054 4.065 -2.746 1.00 0.00 C ATOM 809 NE ARG A 56 -12.157 3.603 -4.149 1.00 0.00 N ATOM 810 CZ ARG A 56 -13.187 3.886 -4.959 1.00 0.00 C ATOM 811 NH1 ARG A 56 -14.206 4.631 -4.510 1.00 0.00 N ATOM 812 NH2 ARG A 56 -13.196 3.425 -6.217 1.00 0.00 N ATOM 0 H ARG A 56 -9.843 0.544 -1.175 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.550 1.467 0.966 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.526 3.316 -0.413 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.890 3.643 0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.066 3.662 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.960 2.226 -2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.031 4.015 -2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.739 5.108 -2.720 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.397 3.034 -4.522 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.198 4.982 -3.552 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.990 4.847 -5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.419 2.859 -6.558 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.980 3.640 -6.833 1.00 0.00 H new ATOM 826 N GLU A 57 -13.504 0.507 -0.302 1.00 0.00 N ATOM 827 CA GLU A 57 -14.542 -0.288 -0.935 1.00 0.00 C ATOM 828 C GLU A 57 -14.703 0.119 -2.401 1.00 0.00 C ATOM 829 O GLU A 57 -14.893 1.296 -2.705 1.00 0.00 O ATOM 830 CB GLU A 57 -15.867 -0.160 -0.181 1.00 0.00 C ATOM 831 CG GLU A 57 -16.655 -1.470 -0.230 1.00 0.00 C ATOM 832 CD GLU A 57 -18.162 -1.206 -0.205 1.00 0.00 C ATOM 833 OE1 GLU A 57 -18.528 -0.027 -0.010 1.00 0.00 O ATOM 834 OE2 GLU A 57 -18.914 -2.189 -0.381 1.00 0.00 O ATOM 0 H GLU A 57 -13.761 0.901 0.603 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.242 -1.335 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.674 0.114 0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.462 0.643 -0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.394 -2.022 -1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.378 -2.097 0.618 1.00 0.00 H new ATOM 936 N TYR A 66 -9.766 7.079 0.787 1.00 0.00 N ATOM 937 CA TYR A 66 -8.936 5.886 0.768 1.00 0.00 C ATOM 938 C TYR A 66 -8.218 5.698 2.106 1.00 0.00 C ATOM 939 O TYR A 66 -7.448 6.560 2.528 1.00 0.00 O ATOM 940 CB TYR A 66 -7.894 6.115 -0.329 1.00 0.00 C ATOM 941 CG TYR A 66 -8.300 5.563 -1.697 1.00 0.00 C ATOM 942 CD1 TYR A 66 -9.153 6.286 -2.507 1.00 0.00 C ATOM 943 CD2 TYR A 66 -7.814 4.343 -2.121 1.00 0.00 C ATOM 944 CE1 TYR A 66 -9.535 5.767 -3.794 1.00 0.00 C ATOM 945 CE2 TYR A 66 -8.196 3.824 -3.409 1.00 0.00 C ATOM 946 CZ TYR A 66 -9.038 4.561 -4.182 1.00 0.00 C ATOM 947 OH TYR A 66 -9.399 4.071 -5.398 1.00 0.00 O ATOM 0 HA TYR A 66 -9.543 4.998 0.589 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.707 7.185 -0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.955 5.652 -0.026 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.533 7.241 -2.175 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.147 3.777 -1.487 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.201 6.322 -4.438 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.822 2.871 -3.753 1.00 0.00 H new ATOM 0 HH TYR A 66 -8.968 3.203 -5.542 1.00 0.00 H new ATOM 957 N SER A 67 -8.494 4.565 2.735 1.00 0.00 N ATOM 958 CA SER A 67 -7.884 4.253 4.017 1.00 0.00 C ATOM 959 C SER A 67 -6.378 4.045 3.842 1.00 0.00 C ATOM 960 O SER A 67 -5.946 3.026 3.307 1.00 0.00 O ATOM 961 CB SER A 67 -8.522 3.011 4.642 1.00 0.00 C ATOM 962 OG SER A 67 -9.926 3.167 4.826 1.00 0.00 O ATOM 0 H SER A 67 -9.132 3.852 2.381 1.00 0.00 H new ATOM 0 HA SER A 67 -8.053 5.093 4.691 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.334 2.147 4.005 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.051 2.806 5.603 1.00 0.00 H new ATOM 0 HG SER A 67 -10.296 2.352 5.226 1.00 0.00 H new ATOM 968 N ILE A 68 -5.620 5.029 4.305 1.00 0.00 N ATOM 969 CA ILE A 68 -4.172 4.967 4.207 1.00 0.00 C ATOM 970 C ILE A 68 -3.607 4.316 5.471 1.00 0.00 C ATOM 971 O ILE A 68 -4.103 4.554 6.571 1.00 0.00 O ATOM 972 CB ILE A 68 -3.594 6.354 3.918 1.00 0.00 C ATOM 973 CG1 ILE A 68 -4.103 6.892 2.579 1.00 0.00 C ATOM 974 CG2 ILE A 68 -2.066 6.336 3.985 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.565 6.060 1.413 1.00 0.00 C ATOM 0 H ILE A 68 -5.982 5.873 4.749 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.874 4.342 3.365 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.942 7.037 4.693 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.193 6.878 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.797 7.931 2.461 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.681 7.334 3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.749 6.026 4.981 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.678 5.635 3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.942 6.464 0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.476 6.096 1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.894 5.026 1.521 1.00 0.00 H new ATOM 987 N VAL A 69 -2.576 3.507 5.272 1.00 0.00 N ATOM 988 CA VAL A 69 -1.938 2.821 6.382 1.00 0.00 C ATOM 989 C VAL A 69 -0.419 2.949 6.251 1.00 0.00 C ATOM 990 O VAL A 69 0.178 2.384 5.336 1.00 0.00 O ATOM 991 CB VAL A 69 -2.413 1.367 6.441 1.00 0.00 C ATOM 992 CG1 VAL A 69 -3.620 1.222 7.369 1.00 0.00 C ATOM 993 CG2 VAL A 69 -2.729 0.837 5.041 1.00 0.00 C ATOM 0 H VAL A 69 -2.167 3.312 4.358 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.222 3.281 7.329 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.602 0.765 6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.937 0.180 7.393 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.346 1.541 8.375 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.438 1.842 7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.064 -0.198 5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.515 1.444 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.833 0.887 4.422 1.00 0.00 H new ATOM 1003 N GLU A 70 0.162 3.696 7.178 1.00 0.00 N ATOM 1004 CA GLU A 70 1.600 3.906 7.177 1.00 0.00 C ATOM 1005 C GLU A 70 2.302 2.769 7.923 1.00 0.00 C ATOM 1006 O GLU A 70 1.873 2.374 9.006 1.00 0.00 O ATOM 1007 CB GLU A 70 1.956 5.263 7.786 1.00 0.00 C ATOM 1008 CG GLU A 70 3.390 5.266 8.319 1.00 0.00 C ATOM 1009 CD GLU A 70 4.034 6.644 8.155 1.00 0.00 C ATOM 1010 OE1 GLU A 70 3.675 7.324 7.170 1.00 0.00 O ATOM 1011 OE2 GLU A 70 4.870 6.986 9.019 1.00 0.00 O ATOM 0 H GLU A 70 -0.337 4.163 7.935 1.00 0.00 H new ATOM 0 HA GLU A 70 1.947 3.906 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.842 6.044 7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.263 5.496 8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.391 4.983 9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.980 4.519 7.788 1.00 0.00 H new ATOM 1018 N MET A 71 3.370 2.276 7.314 1.00 0.00 N ATOM 1019 CA MET A 71 4.136 1.193 7.907 1.00 0.00 C ATOM 1020 C MET A 71 5.635 1.389 7.671 1.00 0.00 C ATOM 1021 O MET A 71 6.055 2.416 7.141 1.00 0.00 O ATOM 1022 CB MET A 71 3.694 -0.139 7.297 1.00 0.00 C ATOM 1023 CG MET A 71 3.635 -0.051 5.771 1.00 0.00 C ATOM 1024 SD MET A 71 5.219 -0.486 5.073 1.00 0.00 S ATOM 1025 CE MET A 71 5.101 -2.267 5.121 1.00 0.00 C ATOM 0 H MET A 71 3.723 2.606 6.416 1.00 0.00 H new ATOM 0 HA MET A 71 3.953 1.190 8.982 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.387 -0.926 7.593 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.714 -0.414 7.687 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.864 -0.720 5.389 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.359 0.959 5.467 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.101 -2.697 5.172 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.531 -2.570 5.999 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.599 -2.623 4.221 1.00 0.00 H new ATOM 1035 N LYS A 72 6.402 0.387 8.077 1.00 0.00 N ATOM 1036 CA LYS A 72 7.845 0.436 7.917 1.00 0.00 C ATOM 1037 C LYS A 72 8.256 -0.468 6.753 1.00 0.00 C ATOM 1038 O LYS A 72 7.512 -1.370 6.370 1.00 0.00 O ATOM 1039 CB LYS A 72 8.542 0.096 9.236 1.00 0.00 C ATOM 1040 CG LYS A 72 8.995 1.365 9.960 1.00 0.00 C ATOM 1041 CD LYS A 72 9.559 1.036 11.343 1.00 0.00 C ATOM 1042 CE LYS A 72 8.892 1.889 12.424 1.00 0.00 C ATOM 1043 NZ LYS A 72 9.876 2.809 13.038 1.00 0.00 N ATOM 0 H LYS A 72 6.051 -0.464 8.517 1.00 0.00 H new ATOM 0 HA LYS A 72 8.166 1.447 7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.863 -0.469 9.875 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.403 -0.543 9.042 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.753 1.876 9.366 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.154 2.051 10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.404 -0.021 11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.635 1.208 11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.072 2.461 11.990 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.461 1.244 13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.407 3.381 13.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.645 2.257 13.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.268 3.436 12.307 1.00 0.00 H new ATOM 1057 N ALA A 73 9.439 -0.195 6.223 1.00 0.00 N ATOM 1058 CA ALA A 73 9.958 -0.972 5.110 1.00 0.00 C ATOM 1059 C ALA A 73 10.985 -1.979 5.632 1.00 0.00 C ATOM 1060 O ALA A 73 12.151 -1.638 5.825 1.00 0.00 O ATOM 1061 CB ALA A 73 10.547 -0.030 4.059 1.00 0.00 C ATOM 0 H ALA A 73 10.053 0.554 6.544 1.00 0.00 H new ATOM 0 HA ALA A 73 9.158 -1.535 4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.936 -0.614 3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.770 0.645 3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.355 0.551 4.503 1.00 0.00 H new ATOM 1067 N THR A 74 10.514 -3.199 5.845 1.00 0.00 N ATOM 1068 CA THR A 74 11.377 -4.258 6.341 1.00 0.00 C ATOM 1069 C THR A 74 12.614 -4.398 5.452 1.00 0.00 C ATOM 1070 O THR A 74 13.740 -4.410 5.947 1.00 0.00 O ATOM 1071 CB THR A 74 10.547 -5.540 6.434 1.00 0.00 C ATOM 1072 OG1 THR A 74 10.175 -5.811 5.085 1.00 0.00 O ATOM 1073 CG2 THR A 74 9.214 -5.324 7.152 1.00 0.00 C ATOM 0 H THR A 74 9.546 -3.478 5.683 1.00 0.00 H new ATOM 0 HA THR A 74 11.756 -4.026 7.337 1.00 0.00 H new ATOM 0 HB THR A 74 11.120 -6.306 6.956 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.268 -5.478 4.923 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.665 -6.265 7.190 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.400 -4.971 8.166 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.626 -4.582 6.612 1.00 0.00 H new ATOM 1081 N GLY A 75 12.363 -4.500 4.155 1.00 0.00 N ATOM 1082 CA GLY A 75 13.443 -4.639 3.193 1.00 0.00 C ATOM 1083 C GLY A 75 13.034 -4.083 1.827 1.00 0.00 C ATOM 1084 O GLY A 75 12.468 -2.994 1.739 1.00 0.00 O ATOM 0 H GLY A 75 11.428 -4.489 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.327 -4.113 3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.715 -5.690 3.095 1.00 0.00 H new ATOM 1088 N ASP A 76 13.336 -4.857 0.795 1.00 0.00 N ATOM 1089 CA ASP A 76 13.007 -4.457 -0.563 1.00 0.00 C ATOM 1090 C ASP A 76 11.512 -4.673 -0.806 1.00 0.00 C ATOM 1091 O ASP A 76 10.876 -3.897 -1.517 1.00 0.00 O ATOM 1092 CB ASP A 76 13.778 -5.293 -1.586 1.00 0.00 C ATOM 1093 CG ASP A 76 15.299 -5.149 -1.524 1.00 0.00 C ATOM 1094 OD1 ASP A 76 15.762 -3.988 -1.565 1.00 0.00 O ATOM 1095 OD2 ASP A 76 15.966 -6.202 -1.437 1.00 0.00 O ATOM 0 H ASP A 76 13.805 -5.759 0.872 1.00 0.00 H new ATOM 0 HA ASP A 76 13.276 -3.407 -0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.521 -6.343 -1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.442 -5.017 -2.586 1.00 0.00 H new ATOM 1100 N SER A 77 10.993 -5.732 -0.200 1.00 0.00 N ATOM 1101 CA SER A 77 9.585 -6.060 -0.342 1.00 0.00 C ATOM 1102 C SER A 77 8.873 -5.899 1.002 1.00 0.00 C ATOM 1103 O SER A 77 9.496 -6.011 2.057 1.00 0.00 O ATOM 1104 CB SER A 77 9.402 -7.483 -0.873 1.00 0.00 C ATOM 1105 OG SER A 77 9.738 -8.465 0.104 1.00 0.00 O ATOM 0 H SER A 77 11.523 -6.373 0.390 1.00 0.00 H new ATOM 0 HA SER A 77 9.144 -5.373 -1.064 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.367 -7.623 -1.186 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.025 -7.623 -1.757 1.00 0.00 H new ATOM 0 HG SER A 77 9.606 -9.360 -0.273 1.00 0.00 H new ATOM 1111 N GLU A 78 7.576 -5.639 0.921 1.00 0.00 N ATOM 1112 CA GLU A 78 6.772 -5.462 2.119 1.00 0.00 C ATOM 1113 C GLU A 78 5.410 -6.138 1.949 1.00 0.00 C ATOM 1114 O GLU A 78 5.051 -6.550 0.847 1.00 0.00 O ATOM 1115 CB GLU A 78 6.609 -3.978 2.455 1.00 0.00 C ATOM 1116 CG GLU A 78 7.929 -3.226 2.272 1.00 0.00 C ATOM 1117 CD GLU A 78 8.993 -3.743 3.242 1.00 0.00 C ATOM 1118 OE1 GLU A 78 8.615 -4.036 4.396 1.00 0.00 O ATOM 1119 OE2 GLU A 78 10.162 -3.833 2.806 1.00 0.00 O ATOM 0 H GLU A 78 7.062 -5.547 0.045 1.00 0.00 H new ATOM 0 HA GLU A 78 7.289 -5.936 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.844 -3.538 1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.264 -3.870 3.483 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.279 -3.343 1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.770 -2.160 2.435 1.00 0.00 H new ATOM 1126 N VAL A 79 4.689 -6.232 3.056 1.00 0.00 N ATOM 1127 CA VAL A 79 3.375 -6.851 3.044 1.00 0.00 C ATOM 1128 C VAL A 79 2.512 -6.229 4.143 1.00 0.00 C ATOM 1129 O VAL A 79 3.030 -5.786 5.168 1.00 0.00 O ATOM 1130 CB VAL A 79 3.511 -8.369 3.177 1.00 0.00 C ATOM 1131 CG1 VAL A 79 4.234 -8.743 4.473 1.00 0.00 C ATOM 1132 CG2 VAL A 79 2.144 -9.051 3.096 1.00 0.00 C ATOM 0 H VAL A 79 4.990 -5.889 3.968 1.00 0.00 H new ATOM 0 HA VAL A 79 2.874 -6.665 2.094 1.00 0.00 H new ATOM 0 HB VAL A 79 4.114 -8.726 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.318 -9.828 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.231 -8.301 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.670 -8.367 5.326 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.269 -10.129 3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.507 -8.686 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.681 -8.825 2.136 1.00 0.00 H new ATOM 1142 N TYR A 80 1.211 -6.215 3.894 1.00 0.00 N ATOM 1143 CA TYR A 80 0.271 -5.655 4.850 1.00 0.00 C ATOM 1144 C TYR A 80 -1.064 -6.400 4.807 1.00 0.00 C ATOM 1145 O TYR A 80 -1.574 -6.707 3.731 1.00 0.00 O ATOM 1146 CB TYR A 80 0.046 -4.204 4.419 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.327 -3.265 5.567 1.00 0.00 C ATOM 1148 CD1 TYR A 80 -1.423 -3.544 6.359 1.00 0.00 C ATOM 1149 CD2 TYR A 80 0.432 -2.138 5.812 1.00 0.00 C ATOM 1150 CE1 TYR A 80 -1.775 -2.660 7.439 1.00 0.00 C ATOM 1151 CE2 TYR A 80 0.080 -1.254 6.893 1.00 0.00 C ATOM 1152 CZ TYR A 80 -1.006 -1.558 7.653 1.00 0.00 C ATOM 1153 OH TYR A 80 -1.338 -0.723 8.674 1.00 0.00 O ATOM 0 H TYR A 80 0.785 -6.583 3.043 1.00 0.00 H new ATOM 0 HA TYR A 80 0.662 -5.734 5.864 1.00 0.00 H new ATOM 0 HB2 TYR A 80 0.952 -3.833 3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.745 -4.177 3.669 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -2.016 -4.426 6.168 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.290 -1.919 5.193 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.630 -2.867 8.065 1.00 0.00 H new ATOM 0 HE2 TYR A 80 0.665 -0.369 7.096 1.00 0.00 H new ATOM 0 HH TYR A 80 -0.701 0.021 8.709 1.00 0.00 H new ATOM 1163 N THR A 81 -1.593 -6.669 5.992 1.00 0.00 N ATOM 1164 CA THR A 81 -2.860 -7.372 6.104 1.00 0.00 C ATOM 1165 C THR A 81 -3.979 -6.399 6.478 1.00 0.00 C ATOM 1166 O THR A 81 -4.192 -6.115 7.656 1.00 0.00 O ATOM 1167 CB THR A 81 -2.681 -8.510 7.111 1.00 0.00 C ATOM 1168 OG1 THR A 81 -1.979 -9.513 6.382 1.00 0.00 O ATOM 1169 CG2 THR A 81 -4.007 -9.178 7.481 1.00 0.00 C ATOM 0 H THR A 81 -1.167 -6.413 6.883 1.00 0.00 H new ATOM 0 HA THR A 81 -3.157 -7.807 5.150 1.00 0.00 H new ATOM 0 HB THR A 81 -2.204 -8.125 8.012 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.820 -10.287 6.961 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.824 -9.978 8.198 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.675 -8.440 7.924 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.468 -9.593 6.585 1.00 0.00 H new ATOM 1177 N LEU A 82 -4.665 -5.914 5.454 1.00 0.00 N ATOM 1178 CA LEU A 82 -5.757 -4.978 5.661 1.00 0.00 C ATOM 1179 C LEU A 82 -6.929 -5.707 6.321 1.00 0.00 C ATOM 1180 O LEU A 82 -7.452 -6.676 5.772 1.00 0.00 O ATOM 1181 CB LEU A 82 -6.126 -4.286 4.347 1.00 0.00 C ATOM 1182 CG LEU A 82 -5.103 -3.284 3.807 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -3.690 -3.637 4.275 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -5.192 -3.176 2.284 1.00 0.00 C ATOM 0 H LEU A 82 -4.486 -6.152 4.478 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.452 -4.182 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.290 -5.052 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.075 -3.767 4.486 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.341 -2.301 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.983 -2.909 3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.653 -3.621 5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.426 -4.632 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.454 -2.457 1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.995 -4.151 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.190 -2.843 2.001 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.308 -5.213 7.491 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.409 -5.805 8.232 1.00 0.00 C ATOM 1198 C ASP A 83 -9.556 -4.797 8.325 1.00 0.00 C ATOM 1199 O ASP A 83 -9.379 -3.620 8.016 1.00 0.00 O ATOM 1200 CB ASP A 83 -7.982 -6.167 9.656 1.00 0.00 C ATOM 1201 CG ASP A 83 -6.713 -5.469 10.148 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -6.698 -4.220 10.100 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -5.787 -6.199 10.562 1.00 0.00 O ATOM 0 H ASP A 83 -6.872 -4.410 7.944 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.721 -6.708 7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.799 -5.925 10.336 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.830 -7.245 9.711 1.00 0.00 H new ATOM 1208 N ASN A 84 -10.707 -5.297 8.751 1.00 0.00 N ATOM 1209 CA ASN A 84 -11.883 -4.455 8.888 1.00 0.00 C ATOM 1210 C ASN A 84 -12.515 -4.241 7.511 1.00 0.00 C ATOM 1211 O ASN A 84 -12.873 -3.119 7.156 1.00 0.00 O ATOM 1212 CB ASN A 84 -11.515 -3.083 9.458 1.00 0.00 C ATOM 1213 CG ASN A 84 -12.507 -2.655 10.542 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -13.555 -2.091 10.273 1.00 0.00 O ATOM 1215 ND2 ASN A 84 -12.120 -2.955 11.778 1.00 0.00 N ATOM 0 H ASN A 84 -10.850 -6.274 9.006 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.577 -4.953 9.566 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.508 -3.116 9.874 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.505 -2.344 8.657 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.713 -2.712 12.571 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.230 -3.428 11.933 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.633 -5.335 6.773 1.00 0.00 N ATOM 1223 CA LEU A 85 -13.215 -5.281 5.443 1.00 0.00 C ATOM 1224 C LEU A 85 -14.632 -5.858 5.488 1.00 0.00 C ATOM 1225 O LEU A 85 -15.166 -6.119 6.565 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.301 -5.972 4.430 1.00 0.00 C ATOM 1227 CG LEU A 85 -10.821 -5.587 4.490 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -10.034 -6.262 3.365 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.649 -4.067 4.478 1.00 0.00 C ATOM 0 H LEU A 85 -12.335 -6.264 7.071 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.301 -4.248 5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.382 -7.050 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.672 -5.755 3.428 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.411 -5.950 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.985 -5.972 3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.118 -7.345 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.437 -5.951 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.588 -3.821 4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.079 -3.659 3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.157 -3.637 5.341 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.199 -6.041 4.305 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.543 -6.582 4.195 1.00 0.00 C ATOM 1243 C LYS A 86 -16.463 -8.053 3.783 1.00 0.00 C ATOM 1244 O LYS A 86 -15.379 -8.633 3.746 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.391 -5.725 3.253 1.00 0.00 C ATOM 1246 CG LYS A 86 -18.360 -4.840 4.040 1.00 0.00 C ATOM 1247 CD LYS A 86 -19.558 -5.648 4.540 1.00 0.00 C ATOM 1248 CE LYS A 86 -20.536 -5.942 3.400 1.00 0.00 C ATOM 1249 NZ LYS A 86 -21.036 -7.332 3.491 1.00 0.00 N ATOM 0 H LYS A 86 -14.752 -5.824 3.414 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.048 -6.547 5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.741 -5.102 2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.950 -6.369 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -17.841 -4.390 4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.707 -4.023 3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.212 -6.584 4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.069 -5.097 5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.373 -5.245 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.042 -5.789 2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.010 -7.375 3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -20.428 -7.957 2.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -21.022 -7.642 4.484 1.00 0.00 H new ATOM 1263 N LYS A 87 -17.626 -8.615 3.484 1.00 0.00 N ATOM 1264 CA LYS A 87 -17.701 -10.008 3.076 1.00 0.00 C ATOM 1265 C LYS A 87 -18.004 -10.080 1.578 1.00 0.00 C ATOM 1266 O LYS A 87 -18.917 -9.412 1.093 1.00 0.00 O ATOM 1267 CB LYS A 87 -18.706 -10.767 3.944 1.00 0.00 C ATOM 1268 CG LYS A 87 -18.086 -11.153 5.289 1.00 0.00 C ATOM 1269 CD LYS A 87 -19.154 -11.668 6.256 1.00 0.00 C ATOM 1270 CE LYS A 87 -18.938 -13.149 6.574 1.00 0.00 C ATOM 1271 NZ LYS A 87 -19.866 -13.990 5.785 1.00 0.00 N ATOM 0 H LYS A 87 -18.523 -8.131 3.516 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.743 -10.503 3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.588 -10.149 4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -19.039 -11.664 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.327 -11.921 5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.583 -10.289 5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.126 -11.087 7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -20.143 -11.527 5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.908 -13.428 6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.094 -13.325 7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.706 -14.992 6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -20.847 -13.735 6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.698 -13.835 4.770 1.00 0.00 H new ATOM 1285 N PHE A 88 -17.222 -10.896 0.887 1.00 0.00 N ATOM 1286 CA PHE A 88 -17.396 -11.065 -0.546 1.00 0.00 C ATOM 1287 C PHE A 88 -17.731 -9.731 -1.218 1.00 0.00 C ATOM 1288 O PHE A 88 -18.825 -9.559 -1.753 1.00 0.00 O ATOM 1289 CB PHE A 88 -18.566 -12.030 -0.744 1.00 0.00 C ATOM 1290 CG PHE A 88 -18.677 -12.590 -2.163 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -17.557 -12.973 -2.833 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -19.896 -12.706 -2.756 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -17.660 -13.494 -4.150 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -19.999 -13.226 -4.073 1.00 0.00 C ATOM 1295 CZ PHE A 88 -18.878 -13.609 -4.742 1.00 0.00 C ATOM 0 H PHE A 88 -16.466 -11.448 1.293 1.00 0.00 H new ATOM 0 HA PHE A 88 -16.476 -11.445 -0.991 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.462 -12.859 -0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -19.494 -11.516 -0.494 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -16.589 -12.881 -2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -20.786 -12.402 -2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -16.770 -13.799 -4.681 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -20.967 -13.317 -4.544 1.00 0.00 H new ATOM 0 HZ PHE A 88 -18.956 -14.005 -5.744 1.00 0.00 H new ATOM 1305 N ALA A 89 -16.768 -8.823 -1.169 1.00 0.00 N ATOM 1306 CA ALA A 89 -16.946 -7.510 -1.767 1.00 0.00 C ATOM 1307 C ALA A 89 -15.628 -7.058 -2.397 1.00 0.00 C ATOM 1308 O ALA A 89 -14.558 -7.270 -1.828 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.451 -6.531 -0.706 1.00 0.00 C ATOM 0 H ALA A 89 -15.862 -8.970 -0.725 1.00 0.00 H new ATOM 0 HA ALA A 89 -17.694 -7.547 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.585 -5.546 -1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.404 -6.882 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.725 -6.466 0.104 1.00 0.00 H new ATOM 1315 N GLN A 90 -15.747 -6.443 -3.564 1.00 0.00 N ATOM 1316 CA GLN A 90 -14.578 -5.959 -4.278 1.00 0.00 C ATOM 1317 C GLN A 90 -14.027 -4.701 -3.604 1.00 0.00 C ATOM 1318 O GLN A 90 -14.784 -3.793 -3.261 1.00 0.00 O ATOM 1319 CB GLN A 90 -14.904 -5.694 -5.749 1.00 0.00 C ATOM 1320 CG GLN A 90 -13.690 -5.124 -6.486 1.00 0.00 C ATOM 1321 CD GLN A 90 -13.914 -5.133 -8.000 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -13.402 -5.971 -8.724 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -14.706 -4.157 -8.436 1.00 0.00 N ATOM 0 H GLN A 90 -16.636 -6.269 -4.033 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.810 -6.732 -4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.222 -6.620 -6.227 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -15.738 -4.996 -5.820 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.501 -4.105 -6.149 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.804 -5.710 -6.242 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -15.102 -3.488 -7.776 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.917 -4.078 -9.431 1.00 0.00 H new ATOM 1332 N TYR A 91 -12.713 -4.686 -3.432 1.00 0.00 N ATOM 1333 CA TYR A 91 -12.052 -3.555 -2.805 1.00 0.00 C ATOM 1334 C TYR A 91 -10.805 -3.144 -3.590 1.00 0.00 C ATOM 1335 O TYR A 91 -9.906 -3.956 -3.803 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.631 -4.031 -1.413 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.684 -3.792 -0.329 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -12.693 -2.605 0.374 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -13.624 -4.764 -0.054 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -13.684 -2.380 1.395 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -14.614 -4.540 0.967 1.00 0.00 C ATOM 1342 CZ TYR A 91 -14.595 -3.358 1.641 1.00 0.00 C ATOM 1343 OH TYR A 91 -15.531 -3.146 2.605 1.00 0.00 O ATOM 0 H TYR A 91 -12.088 -5.440 -3.717 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.719 -2.693 -2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.405 -5.096 -1.457 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.710 -3.522 -1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.957 -1.844 0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.617 -5.693 -0.605 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.703 -1.455 1.952 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -15.355 -5.293 1.193 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.555 -2.193 2.834 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.790 -1.883 -3.998 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.667 -1.355 -4.754 1.00 0.00 C ATOM 1355 C GLY A 92 -8.698 -0.600 -3.842 1.00 0.00 C ATOM 1356 O GLY A 92 -9.119 0.216 -3.024 1.00 0.00 O ATOM 0 H GLY A 92 -11.537 -1.212 -3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.143 -2.171 -5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.031 -0.688 -5.535 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.419 -0.900 -4.014 1.00 0.00 N ATOM 1361 CA VAL A 93 -6.387 -0.260 -3.216 1.00 0.00 C ATOM 1362 C VAL A 93 -5.228 0.153 -4.126 1.00 0.00 C ATOM 1363 O VAL A 93 -5.117 -0.328 -5.253 1.00 0.00 O ATOM 1364 CB VAL A 93 -5.953 -1.188 -2.079 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -6.086 -2.656 -2.489 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -4.525 -0.872 -1.629 1.00 0.00 C ATOM 0 H VAL A 93 -7.074 -1.577 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.773 0.646 -2.748 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.618 -1.015 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.771 -3.294 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.125 -2.871 -2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.457 -2.850 -3.358 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.241 -1.545 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.842 -1.004 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.474 0.159 -1.278 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.394 1.040 -3.603 1.00 0.00 N ATOM 1377 CA VAL A 94 -3.248 1.523 -4.354 1.00 0.00 C ATOM 1378 C VAL A 94 -2.022 1.556 -3.440 1.00 0.00 C ATOM 1379 O VAL A 94 -2.015 2.256 -2.428 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.566 2.885 -4.976 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -4.548 2.739 -6.141 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -4.105 3.856 -3.924 1.00 0.00 C ATOM 0 H VAL A 94 -4.489 1.437 -2.668 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.021 0.848 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.637 3.299 -5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.758 3.721 -6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.111 2.098 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.476 2.294 -5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.323 4.816 -4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.018 3.450 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.359 3.995 -3.141 1.00 0.00 H new ATOM 1392 N VAL A 95 -1.013 0.790 -3.829 1.00 0.00 N ATOM 1393 CA VAL A 95 0.216 0.722 -3.057 1.00 0.00 C ATOM 1394 C VAL A 95 1.185 1.797 -3.554 1.00 0.00 C ATOM 1395 O VAL A 95 1.282 2.043 -4.755 1.00 0.00 O ATOM 1396 CB VAL A 95 0.802 -0.690 -3.128 1.00 0.00 C ATOM 1397 CG1 VAL A 95 2.020 -0.825 -2.213 1.00 0.00 C ATOM 1398 CG2 VAL A 95 -0.258 -1.740 -2.789 1.00 0.00 C ATOM 0 H VAL A 95 -1.022 0.211 -4.669 1.00 0.00 H new ATOM 0 HA VAL A 95 0.017 0.924 -2.004 1.00 0.00 H new ATOM 0 HB VAL A 95 1.132 -0.865 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.417 -1.838 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.786 -0.113 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.726 -0.620 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.184 -2.735 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.632 -1.567 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.082 -1.667 -3.499 1.00 0.00 H new ATOM 1408 N GLN A 96 1.877 2.409 -2.604 1.00 0.00 N ATOM 1409 CA GLN A 96 2.835 3.451 -2.930 1.00 0.00 C ATOM 1410 C GLN A 96 3.919 3.532 -1.853 1.00 0.00 C ATOM 1411 O GLN A 96 3.622 3.462 -0.662 1.00 0.00 O ATOM 1412 CB GLN A 96 2.137 4.801 -3.108 1.00 0.00 C ATOM 1413 CG GLN A 96 0.936 4.925 -2.168 1.00 0.00 C ATOM 1414 CD GLN A 96 0.173 6.227 -2.422 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -1.030 6.243 -2.623 1.00 0.00 O ATOM 1416 NE2 GLN A 96 0.938 7.314 -2.400 1.00 0.00 N ATOM 0 H GLN A 96 1.793 2.203 -1.609 1.00 0.00 H new ATOM 0 HA GLN A 96 3.310 3.197 -3.877 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.843 5.608 -2.911 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.808 4.911 -4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.269 4.075 -2.310 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.275 4.894 -1.133 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.939 7.229 -2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.524 8.233 -2.557 1.00 0.00 H new ATOM 1425 N ALA A 97 5.154 3.678 -2.311 1.00 0.00 N ATOM 1426 CA ALA A 97 6.284 3.769 -1.402 1.00 0.00 C ATOM 1427 C ALA A 97 6.547 5.239 -1.068 1.00 0.00 C ATOM 1428 O ALA A 97 6.552 6.090 -1.957 1.00 0.00 O ATOM 1429 CB ALA A 97 7.501 3.086 -2.030 1.00 0.00 C ATOM 0 H ALA A 97 5.397 3.736 -3.300 1.00 0.00 H new ATOM 0 HA ALA A 97 6.067 3.252 -0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.349 3.154 -1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.272 2.037 -2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.750 3.579 -2.970 1.00 0.00 H new ATOM 1435 N PHE A 98 6.760 5.492 0.214 1.00 0.00 N ATOM 1436 CA PHE A 98 7.024 6.844 0.676 1.00 0.00 C ATOM 1437 C PHE A 98 8.295 6.895 1.527 1.00 0.00 C ATOM 1438 O PHE A 98 8.514 6.031 2.375 1.00 0.00 O ATOM 1439 CB PHE A 98 5.831 7.263 1.538 1.00 0.00 C ATOM 1440 CG PHE A 98 5.806 6.616 2.924 1.00 0.00 C ATOM 1441 CD1 PHE A 98 6.660 7.045 3.891 1.00 0.00 C ATOM 1442 CD2 PHE A 98 4.929 5.610 3.189 1.00 0.00 C ATOM 1443 CE1 PHE A 98 6.637 6.444 5.177 1.00 0.00 C ATOM 1444 CE2 PHE A 98 4.906 5.009 4.475 1.00 0.00 C ATOM 1445 CZ PHE A 98 5.761 5.439 5.442 1.00 0.00 C ATOM 0 H PHE A 98 6.755 4.784 0.948 1.00 0.00 H new ATOM 0 HA PHE A 98 7.163 7.508 -0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.843 8.347 1.655 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.910 7.009 1.013 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.356 7.843 3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.250 5.269 2.421 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.316 6.785 5.945 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.210 4.211 4.686 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.744 4.982 6.420 1.00 0.00 H new ATOM 1455 N ASN A 99 9.099 7.916 1.271 1.00 0.00 N ATOM 1456 CA ASN A 99 10.342 8.091 2.003 1.00 0.00 C ATOM 1457 C ASN A 99 10.365 9.484 2.636 1.00 0.00 C ATOM 1458 O ASN A 99 9.438 10.270 2.447 1.00 0.00 O ATOM 1459 CB ASN A 99 11.551 7.975 1.071 1.00 0.00 C ATOM 1460 CG ASN A 99 11.339 8.792 -0.205 1.00 0.00 C ATOM 1461 OD1 ASN A 99 10.880 9.921 -0.181 1.00 0.00 O ATOM 1462 ND2 ASN A 99 11.700 8.159 -1.318 1.00 0.00 N ATOM 0 H ASN A 99 8.914 8.631 0.567 1.00 0.00 H new ATOM 0 HA ASN A 99 10.397 7.313 2.764 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.446 8.323 1.586 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.718 6.929 0.814 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.599 8.620 -2.222 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.078 7.213 -1.267 1.00 0.00 H new ATOM 1469 N ARG A 100 11.434 9.746 3.373 1.00 0.00 N ATOM 1470 CA ARG A 100 11.590 11.031 4.035 1.00 0.00 C ATOM 1471 C ARG A 100 11.651 12.157 3.000 1.00 0.00 C ATOM 1472 O ARG A 100 11.353 13.308 3.313 1.00 0.00 O ATOM 1473 CB ARG A 100 12.861 11.061 4.886 1.00 0.00 C ATOM 1474 CG ARG A 100 12.576 10.587 6.313 1.00 0.00 C ATOM 1475 CD ARG A 100 13.646 11.092 7.283 1.00 0.00 C ATOM 1476 NE ARG A 100 13.550 10.363 8.567 1.00 0.00 N ATOM 1477 CZ ARG A 100 12.556 10.526 9.451 1.00 0.00 C ATOM 1478 NH1 ARG A 100 11.567 11.393 9.194 1.00 0.00 N ATOM 1479 NH2 ARG A 100 12.551 9.821 10.590 1.00 0.00 N ATOM 0 H ARG A 100 12.201 9.091 3.527 1.00 0.00 H new ATOM 0 HA ARG A 100 10.727 11.176 4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.622 10.425 4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.264 12.073 4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.596 10.944 6.629 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.542 9.498 6.338 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.636 10.953 6.850 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.520 12.161 7.452 1.00 0.00 H new ATOM 0 HE ARG A 100 14.286 9.695 8.793 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.571 11.928 8.326 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.810 11.517 9.866 1.00 0.00 H new ATOM 0 HH21 ARG A 100 13.304 9.160 10.784 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.795 9.945 11.263 1.00 0.00 H new ATOM 1493 N ALA A 101 12.038 11.784 1.789 1.00 0.00 N ATOM 1494 CA ALA A 101 12.142 12.749 0.707 1.00 0.00 C ATOM 1495 C ALA A 101 10.740 13.094 0.202 1.00 0.00 C ATOM 1496 O ALA A 101 10.524 14.169 -0.355 1.00 0.00 O ATOM 1497 CB ALA A 101 13.037 12.183 -0.397 1.00 0.00 C ATOM 0 H ALA A 101 12.283 10.828 1.533 1.00 0.00 H new ATOM 0 HA ALA A 101 12.602 13.672 1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.115 12.906 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.029 11.982 0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.605 11.257 -0.777 1.00 0.00 H new ATOM 1503 N GLY A 102 9.823 12.161 0.414 1.00 0.00 N ATOM 1504 CA GLY A 102 8.447 12.353 -0.014 1.00 0.00 C ATOM 1505 C GLY A 102 7.839 11.040 -0.511 1.00 0.00 C ATOM 1506 O GLY A 102 8.479 9.992 -0.447 1.00 0.00 O ATOM 0 H GLY A 102 10.006 11.270 0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.855 12.741 0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.410 13.099 -0.808 1.00 0.00 H new ATOM 1510 N THR A 103 6.610 11.140 -0.995 1.00 0.00 N ATOM 1511 CA THR A 103 5.908 9.974 -1.503 1.00 0.00 C ATOM 1512 C THR A 103 6.005 9.916 -3.029 1.00 0.00 C ATOM 1513 O THR A 103 6.222 10.936 -3.680 1.00 0.00 O ATOM 1514 CB THR A 103 4.469 10.026 -0.986 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.603 9.910 0.427 1.00 0.00 O ATOM 1516 CG2 THR A 103 3.659 8.791 -1.386 1.00 0.00 C ATOM 0 H THR A 103 6.082 12.011 -1.046 1.00 0.00 H new ATOM 0 HA THR A 103 6.363 9.051 -1.145 1.00 0.00 H new ATOM 0 HB THR A 103 3.978 10.922 -1.367 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.032 9.183 0.751 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.646 8.878 -0.994 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.623 8.716 -2.473 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.131 7.898 -0.976 1.00 0.00 H new ATOM 1524 N GLY A 104 5.838 8.711 -3.555 1.00 0.00 N ATOM 1525 CA GLY A 104 5.904 8.507 -4.992 1.00 0.00 C ATOM 1526 C GLY A 104 4.531 8.131 -5.555 1.00 0.00 C ATOM 1527 O GLY A 104 3.519 8.256 -4.868 1.00 0.00 O ATOM 0 H GLY A 104 5.657 7.867 -3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.263 9.415 -5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.622 7.719 -5.219 1.00 0.00 H new ATOM 1531 N PRO A 105 4.542 7.667 -6.834 1.00 0.00 N ATOM 1532 CA PRO A 105 3.311 7.273 -7.497 1.00 0.00 C ATOM 1533 C PRO A 105 2.815 5.924 -6.975 1.00 0.00 C ATOM 1534 O PRO A 105 3.588 5.147 -6.417 1.00 0.00 O ATOM 1535 CB PRO A 105 3.653 7.248 -8.978 1.00 0.00 C ATOM 1536 CG PRO A 105 5.170 7.174 -9.054 1.00 0.00 C ATOM 1537 CD PRO A 105 5.722 7.506 -7.678 1.00 0.00 C ATOM 0 HA PRO A 105 2.489 7.962 -7.303 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.195 6.390 -9.470 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.280 8.141 -9.480 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.489 6.179 -9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.550 7.875 -9.797 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.368 6.710 -7.308 1.00 0.00 H new ATOM 0 HD3 PRO A 105 6.320 8.417 -7.701 1.00 0.00 H new ATOM 1545 N SER A 106 1.527 5.686 -7.175 1.00 0.00 N ATOM 1546 CA SER A 106 0.918 4.443 -6.731 1.00 0.00 C ATOM 1547 C SER A 106 0.892 3.433 -7.880 1.00 0.00 C ATOM 1548 O SER A 106 0.997 3.811 -9.046 1.00 0.00 O ATOM 1549 CB SER A 106 -0.498 4.682 -6.202 1.00 0.00 C ATOM 1550 OG SER A 106 -0.537 4.720 -4.778 1.00 0.00 O ATOM 0 H SER A 106 0.888 6.332 -7.638 1.00 0.00 H new ATOM 0 HA SER A 106 1.518 4.040 -5.915 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.880 5.622 -6.600 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.157 3.892 -6.562 1.00 0.00 H new ATOM 0 HG SER A 106 -1.119 5.452 -4.486 1.00 0.00 H new ATOM 1556 N SER A 107 0.752 2.168 -7.510 1.00 0.00 N ATOM 1557 CA SER A 107 0.712 1.101 -8.496 1.00 0.00 C ATOM 1558 C SER A 107 -0.641 1.099 -9.210 1.00 0.00 C ATOM 1559 O SER A 107 -1.510 1.915 -8.903 1.00 0.00 O ATOM 1560 CB SER A 107 0.970 -0.259 -7.845 1.00 0.00 C ATOM 1561 OG SER A 107 -0.230 -1.010 -7.683 1.00 0.00 O ATOM 0 H SER A 107 0.665 1.858 -6.542 1.00 0.00 H new ATOM 0 HA SER A 107 1.501 1.280 -9.227 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.673 -0.826 -8.456 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.440 -0.112 -6.872 1.00 0.00 H new ATOM 0 HG SER A 107 -0.226 -1.771 -8.301 1.00 0.00 H new ATOM 1567 N SER A 108 -0.778 0.174 -10.148 1.00 0.00 N ATOM 1568 CA SER A 108 -2.010 0.056 -10.909 1.00 0.00 C ATOM 1569 C SER A 108 -3.158 -0.353 -9.984 1.00 0.00 C ATOM 1570 O SER A 108 -3.085 -1.384 -9.316 1.00 0.00 O ATOM 1571 CB SER A 108 -1.860 -0.955 -12.047 1.00 0.00 C ATOM 1572 OG SER A 108 -0.621 -1.655 -11.980 1.00 0.00 O ATOM 0 H SER A 108 -0.056 -0.501 -10.399 1.00 0.00 H new ATOM 0 HA SER A 108 -2.234 1.027 -11.350 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.682 -1.669 -12.008 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.933 -0.437 -13.004 1.00 0.00 H new ATOM 0 HG SER A 108 0.104 -1.066 -12.277 1.00 0.00 H new ATOM 1578 N GLU A 109 -4.192 0.476 -9.974 1.00 0.00 N ATOM 1579 CA GLU A 109 -5.354 0.213 -9.142 1.00 0.00 C ATOM 1580 C GLU A 109 -5.661 -1.285 -9.117 1.00 0.00 C ATOM 1581 O GLU A 109 -6.192 -1.830 -10.084 1.00 0.00 O ATOM 1582 CB GLU A 109 -6.565 1.014 -9.623 1.00 0.00 C ATOM 1583 CG GLU A 109 -7.718 0.920 -8.622 1.00 0.00 C ATOM 1584 CD GLU A 109 -8.917 1.749 -9.086 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -8.706 2.951 -9.354 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -10.018 1.161 -9.164 1.00 0.00 O ATOM 0 H GLU A 109 -4.249 1.330 -10.529 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.129 0.534 -8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.283 2.058 -9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.890 0.640 -10.594 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.016 -0.122 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.385 1.271 -7.645 1.00 0.00 H new ATOM 1593 N ILE A 110 -5.315 -1.910 -8.001 1.00 0.00 N ATOM 1594 CA ILE A 110 -5.548 -3.335 -7.837 1.00 0.00 C ATOM 1595 C ILE A 110 -6.872 -3.550 -7.102 1.00 0.00 C ATOM 1596 O ILE A 110 -7.473 -2.598 -6.607 1.00 0.00 O ATOM 1597 CB ILE A 110 -4.350 -3.998 -7.155 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -3.860 -3.161 -5.971 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -3.231 -4.279 -8.160 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -2.895 -3.962 -5.095 1.00 0.00 C ATOM 0 H ILE A 110 -4.875 -1.455 -7.201 1.00 0.00 H new ATOM 0 HA ILE A 110 -5.641 -3.821 -8.808 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.674 -4.960 -6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.364 -2.262 -6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.712 -2.834 -5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.392 -4.750 -7.648 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -3.601 -4.945 -8.940 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -2.902 -3.342 -8.609 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.562 -3.344 -4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.402 -4.847 -4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.033 -4.266 -5.688 1.00 0.00 H new ATOM 1612 N ASN A 111 -7.288 -4.807 -7.054 1.00 0.00 N ATOM 1613 CA ASN A 111 -8.530 -5.159 -6.387 1.00 0.00 C ATOM 1614 C ASN A 111 -8.462 -6.618 -5.929 1.00 0.00 C ATOM 1615 O ASN A 111 -7.498 -7.321 -6.227 1.00 0.00 O ATOM 1616 CB ASN A 111 -9.723 -5.016 -7.334 1.00 0.00 C ATOM 1617 CG ASN A 111 -9.503 -5.818 -8.618 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -8.815 -5.397 -9.534 1.00 0.00 O ATOM 1619 ND2 ASN A 111 -10.124 -6.994 -8.635 1.00 0.00 N ATOM 0 H ASN A 111 -6.787 -5.594 -7.466 1.00 0.00 H new ATOM 0 HA ASN A 111 -8.660 -4.487 -5.539 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.630 -5.360 -6.837 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -9.873 -3.965 -7.579 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -10.040 -7.604 -9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -10.685 -7.286 -7.835 1.00 0.00 H new ATOM 1626 N ALA A 112 -9.498 -7.028 -5.212 1.00 0.00 N ATOM 1627 CA ALA A 112 -9.568 -8.390 -4.710 1.00 0.00 C ATOM 1628 C ALA A 112 -10.818 -8.545 -3.843 1.00 0.00 C ATOM 1629 O ALA A 112 -10.896 -7.983 -2.752 1.00 0.00 O ATOM 1630 CB ALA A 112 -8.284 -8.719 -3.946 1.00 0.00 C ATOM 0 H ALA A 112 -10.296 -6.441 -4.967 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.648 -9.099 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.336 -9.741 -3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.428 -8.622 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.171 -8.029 -3.110 1.00 0.00 H new ATOM 1636 N THR A 113 -11.767 -9.312 -4.361 1.00 0.00 N ATOM 1637 CA THR A 113 -13.010 -9.549 -3.648 1.00 0.00 C ATOM 1638 C THR A 113 -12.801 -10.583 -2.540 1.00 0.00 C ATOM 1639 O THR A 113 -12.242 -11.652 -2.781 1.00 0.00 O ATOM 1640 CB THR A 113 -14.071 -9.961 -4.670 1.00 0.00 C ATOM 1641 OG1 THR A 113 -14.490 -8.729 -5.252 1.00 0.00 O ATOM 1642 CG2 THR A 113 -15.338 -10.511 -4.011 1.00 0.00 C ATOM 0 H THR A 113 -11.699 -9.777 -5.266 1.00 0.00 H new ATOM 0 HA THR A 113 -13.355 -8.645 -3.146 1.00 0.00 H new ATOM 0 HB THR A 113 -13.655 -10.713 -5.341 1.00 0.00 H new ATOM 0 HG1 THR A 113 -15.177 -8.904 -5.928 1.00 0.00 H new ATOM 0 HG21 THR A 113 -16.058 -10.788 -4.781 1.00 0.00 H new ATOM 0 HG22 THR A 113 -15.087 -11.389 -3.416 1.00 0.00 H new ATOM 0 HG23 THR A 113 -15.773 -9.748 -3.366 1.00 0.00 H new ATOM 1650 N THR A 114 -13.260 -10.228 -1.348 1.00 0.00 N ATOM 1651 CA THR A 114 -13.130 -11.112 -0.203 1.00 0.00 C ATOM 1652 C THR A 114 -13.807 -12.455 -0.485 1.00 0.00 C ATOM 1653 O THR A 114 -14.480 -12.613 -1.503 1.00 0.00 O ATOM 1654 CB THR A 114 -13.701 -10.389 1.019 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.879 -9.755 0.529 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.817 -9.228 1.478 1.00 0.00 C ATOM 0 H THR A 114 -13.722 -9.340 -1.151 1.00 0.00 H new ATOM 0 HA THR A 114 -12.085 -11.347 -0.002 1.00 0.00 H new ATOM 0 HB THR A 114 -13.822 -11.099 1.837 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.348 -9.318 1.270 1.00 0.00 H new ATOM 0 HG21 THR A 114 -13.268 -8.749 2.347 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.829 -9.605 1.743 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.723 -8.501 0.671 1.00 0.00 H new ATOM 1664 N LEU A 115 -13.606 -13.388 0.434 1.00 0.00 N ATOM 1665 CA LEU A 115 -14.189 -14.711 0.297 1.00 0.00 C ATOM 1666 C LEU A 115 -15.682 -14.643 0.624 1.00 0.00 C ATOM 1667 O LEU A 115 -16.195 -13.585 0.984 1.00 0.00 O ATOM 1668 CB LEU A 115 -13.420 -15.726 1.145 1.00 0.00 C ATOM 1669 CG LEU A 115 -11.971 -15.988 0.727 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -11.725 -15.535 -0.713 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -10.992 -15.340 1.707 1.00 0.00 C ATOM 0 H LEU A 115 -13.047 -13.253 1.277 1.00 0.00 H new ATOM 0 HA LEU A 115 -14.103 -15.060 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.422 -15.382 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -13.961 -16.672 1.123 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.795 -17.063 0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.688 -15.733 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.386 -16.082 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.925 -14.467 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.970 -15.541 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.160 -14.263 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.148 -15.753 2.704 1.00 0.00 H new