USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 847 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 Single : A 18 SER OG : rot 69:sc= 0.607 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -102:sc= 1.09 USER MOD Single : A 29 CYS SG : rot -76:sc= 0.403 USER MOD Single : A 33 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-1.1) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 24:sc= 0.462 USER MOD Single : A 42 MET CE :methyl -147:sc= -0.143 (180deg=-1.08) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= 0.0202 (180deg=0.00303) USER MOD Single : A 53 GLN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 62 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.6) USER MOD Single : A 68 SER OG : rot -22:sc= -7.94! USER MOD Single : A 69 TYR OH : rot -56:sc= 0.738 USER MOD Single : A 79 ASN : amide:sc= -8.38! C(o=-8.4!,f=-4.8!) USER MOD Single : A 86 THR OG1 : rot 141:sc= -0.792! USER MOD Single : A 88 TYR OH : rot 150:sc= -0.0579 USER MOD Single : A 90 SER OG : rot -121:sc= -5.23! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 110:sc= -1.42! USER MOD Single : A 97 TYR OH : rot 62:sc= 0.128 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.28 K(o=-1.3,f=-0.62) USER MOD Single : A 104 THR OG1 : rot 138:sc= -0.56 USER MOD Single : A 105 LYS NZ :NH3+ -141:sc= -0.145 (180deg=-1.09) USER MOD Single : A 110 SER OG : rot 48:sc= -4.97! USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 8 4.062 13.955 5.783 1.00 0.00 N ATOM 109 CA ARG A 8 4.936 12.931 5.141 1.00 0.00 C ATOM 110 C ARG A 8 4.493 11.534 5.594 1.00 0.00 C ATOM 111 O ARG A 8 4.545 11.211 6.764 1.00 0.00 O ATOM 112 CB ARG A 8 6.354 13.231 5.642 1.00 0.00 C ATOM 113 CG ARG A 8 6.597 14.746 5.675 1.00 0.00 C ATOM 114 CD ARG A 8 6.694 15.287 4.246 1.00 0.00 C ATOM 115 NE ARG A 8 7.659 16.420 4.328 1.00 0.00 N ATOM 116 CZ ARG A 8 8.917 16.188 4.589 1.00 0.00 C ATOM 117 NH1 ARG A 8 9.648 15.522 3.738 1.00 0.00 N ATOM 118 NH2 ARG A 8 9.444 16.625 5.701 1.00 0.00 N ATOM 0 HA ARG A 8 4.884 12.961 4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.491 12.812 6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.086 12.752 4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.785 15.242 6.207 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.516 14.964 6.219 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.044 14.519 3.556 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.722 15.622 3.884 1.00 0.00 H new ATOM 0 HE ARG A 8 7.337 17.376 4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.237 15.182 2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.631 15.341 3.942 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.873 17.147 6.365 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.427 16.444 5.905 1.00 0.00 H new ATOM 132 N LEU A 9 4.044 10.708 4.686 1.00 0.00 N ATOM 133 CA LEU A 9 3.587 9.348 5.084 1.00 0.00 C ATOM 134 C LEU A 9 4.443 8.267 4.408 1.00 0.00 C ATOM 135 O LEU A 9 5.218 8.553 3.516 1.00 0.00 O ATOM 136 CB LEU A 9 2.139 9.268 4.602 1.00 0.00 C ATOM 137 CG LEU A 9 1.225 9.961 5.615 1.00 0.00 C ATOM 138 CD1 LEU A 9 0.114 10.705 4.873 1.00 0.00 C ATOM 139 CD2 LEU A 9 0.607 8.911 6.540 1.00 0.00 C ATOM 0 H LEU A 9 3.975 10.917 3.690 1.00 0.00 H new ATOM 0 HA LEU A 9 3.674 9.183 6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.043 9.742 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.842 8.226 4.481 1.00 0.00 H new ATOM 0 HG LEU A 9 1.805 10.671 6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.538 11.199 5.594 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.555 11.451 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.468 9.996 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.045 9.401 7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.026 8.203 5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.399 8.380 7.068 1.00 0.00 H new ATOM 151 N ARG A 10 4.315 7.025 4.819 1.00 0.00 N ATOM 152 CA ARG A 10 5.135 5.953 4.177 1.00 0.00 C ATOM 153 C ARG A 10 4.231 4.870 3.573 1.00 0.00 C ATOM 154 O ARG A 10 3.169 4.576 4.077 1.00 0.00 O ATOM 155 CB ARG A 10 5.990 5.373 5.307 1.00 0.00 C ATOM 156 CG ARG A 10 6.630 6.513 6.104 1.00 0.00 C ATOM 157 CD ARG A 10 7.732 7.172 5.268 1.00 0.00 C ATOM 158 NE ARG A 10 8.917 7.237 6.170 1.00 0.00 N ATOM 159 CZ ARG A 10 10.003 6.573 5.875 1.00 0.00 C ATOM 160 NH1 ARG A 10 9.964 5.274 5.767 1.00 0.00 N ATOM 161 NH2 ARG A 10 11.126 7.210 5.685 1.00 0.00 N ATOM 0 H ARG A 10 3.687 6.714 5.560 1.00 0.00 H new ATOM 0 HA ARG A 10 5.746 6.340 3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.374 4.758 5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.763 4.725 4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.874 7.251 6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.047 6.129 7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.949 6.589 4.373 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.434 8.167 4.936 1.00 0.00 H new ATOM 0 HE ARG A 10 8.880 7.801 7.019 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.086 4.776 5.913 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.812 4.756 5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.156 8.226 5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.974 6.692 5.455 1.00 0.00 H new ATOM 175 N VAL A 11 4.635 4.274 2.492 1.00 0.00 N ATOM 176 CA VAL A 11 3.780 3.220 1.877 1.00 0.00 C ATOM 177 C VAL A 11 4.640 2.064 1.366 1.00 0.00 C ATOM 178 O VAL A 11 5.064 2.056 0.228 1.00 0.00 O ATOM 179 CB VAL A 11 3.069 3.907 0.710 1.00 0.00 C ATOM 180 CG1 VAL A 11 1.853 3.077 0.300 1.00 0.00 C ATOM 181 CG2 VAL A 11 2.607 5.304 1.132 1.00 0.00 C ATOM 0 H VAL A 11 5.512 4.466 2.008 1.00 0.00 H new ATOM 0 HA VAL A 11 3.076 2.800 2.595 1.00 0.00 H new ATOM 0 HB VAL A 11 3.759 3.994 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.344 3.564 -0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.178 2.082 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.169 2.992 1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.101 5.788 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.919 5.221 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.471 5.899 1.427 1.00 0.00 H new ATOM 191 N LEU A 12 4.894 1.077 2.186 1.00 0.00 N ATOM 192 CA LEU A 12 5.718 -0.071 1.711 1.00 0.00 C ATOM 193 C LEU A 12 4.913 -0.849 0.685 1.00 0.00 C ATOM 194 O LEU A 12 4.233 -1.804 1.008 1.00 0.00 O ATOM 195 CB LEU A 12 5.986 -0.951 2.933 1.00 0.00 C ATOM 196 CG LEU A 12 6.262 -0.090 4.164 1.00 0.00 C ATOM 197 CD1 LEU A 12 5.216 -0.406 5.231 1.00 0.00 C ATOM 198 CD2 LEU A 12 7.656 -0.416 4.708 1.00 0.00 C ATOM 0 H LEU A 12 4.571 1.017 3.152 1.00 0.00 H new ATOM 0 HA LEU A 12 6.653 0.256 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.127 -1.596 3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.838 -1.602 2.739 1.00 0.00 H new ATOM 0 HG LEU A 12 6.214 0.966 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.403 0.203 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.222 -0.186 4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.276 -1.461 5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.856 0.197 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.702 -1.470 4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.403 -0.207 3.942 1.00 0.00 H new ATOM 210 N VAL A 13 4.967 -0.450 -0.551 1.00 0.00 N ATOM 211 CA VAL A 13 4.181 -1.181 -1.571 1.00 0.00 C ATOM 212 C VAL A 13 5.073 -2.172 -2.296 1.00 0.00 C ATOM 213 O VAL A 13 6.211 -1.890 -2.611 1.00 0.00 O ATOM 214 CB VAL A 13 3.632 -0.126 -2.532 1.00 0.00 C ATOM 215 CG1 VAL A 13 2.407 -0.691 -3.249 1.00 0.00 C ATOM 216 CG2 VAL A 13 3.222 1.127 -1.754 1.00 0.00 C ATOM 0 H VAL A 13 5.514 0.340 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 13 3.366 -1.750 -1.123 1.00 0.00 H new ATOM 0 HB VAL A 13 4.403 0.136 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.011 0.057 -3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.692 -1.583 -3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.644 -0.951 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.832 1.874 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.452 0.868 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.090 1.533 -1.234 1.00 0.00 H new ATOM 226 N VAL A 14 4.568 -3.343 -2.542 1.00 0.00 N ATOM 227 CA VAL A 14 5.391 -4.368 -3.220 1.00 0.00 C ATOM 228 C VAL A 14 4.497 -5.417 -3.893 1.00 0.00 C ATOM 229 O VAL A 14 3.363 -5.627 -3.500 1.00 0.00 O ATOM 230 CB VAL A 14 6.204 -4.982 -2.084 1.00 0.00 C ATOM 231 CG1 VAL A 14 7.274 -3.993 -1.619 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.290 -5.311 -0.910 1.00 0.00 C ATOM 0 H VAL A 14 3.620 -3.633 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 14 6.020 -3.960 -4.012 1.00 0.00 H new ATOM 0 HB VAL A 14 6.678 -5.894 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.851 -4.436 -0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.938 -3.758 -2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.796 -3.079 -1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.878 -5.749 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.810 -4.399 -0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.528 -6.021 -1.230 1.00 0.00 H new ATOM 242 N GLU A 15 4.995 -6.078 -4.904 1.00 0.00 N ATOM 243 CA GLU A 15 4.159 -7.110 -5.589 1.00 0.00 C ATOM 244 C GLU A 15 4.954 -7.833 -6.691 1.00 0.00 C ATOM 245 O GLU A 15 5.019 -9.046 -6.717 1.00 0.00 O ATOM 246 CB GLU A 15 2.954 -6.327 -6.151 1.00 0.00 C ATOM 247 CG GLU A 15 3.082 -6.098 -7.662 1.00 0.00 C ATOM 248 CD GLU A 15 1.742 -5.609 -8.212 1.00 0.00 C ATOM 249 OE1 GLU A 15 0.801 -6.386 -8.199 1.00 0.00 O ATOM 250 OE2 GLU A 15 1.676 -4.466 -8.633 1.00 0.00 O ATOM 0 H GLU A 15 5.934 -5.951 -5.283 1.00 0.00 H new ATOM 0 HA GLU A 15 3.838 -7.902 -4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.035 -6.874 -5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.875 -5.366 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.862 -5.364 -7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.377 -7.023 -8.158 1.00 0.00 H new ATOM 257 N ASP A 16 5.552 -7.108 -7.600 1.00 0.00 N ATOM 258 CA ASP A 16 6.327 -7.772 -8.686 1.00 0.00 C ATOM 259 C ASP A 16 7.681 -7.081 -8.879 1.00 0.00 C ATOM 260 O ASP A 16 8.633 -7.372 -8.183 1.00 0.00 O ATOM 261 CB ASP A 16 5.468 -7.667 -9.957 1.00 0.00 C ATOM 262 CG ASP A 16 4.661 -6.367 -9.955 1.00 0.00 C ATOM 263 OD1 ASP A 16 5.186 -5.369 -9.493 1.00 0.00 O ATOM 264 OD2 ASP A 16 3.529 -6.394 -10.408 1.00 0.00 O ATOM 0 H ASP A 16 5.537 -6.089 -7.636 1.00 0.00 H new ATOM 0 HA ASP A 16 6.538 -8.814 -8.444 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.108 -7.703 -10.839 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.793 -8.521 -10.018 1.00 0.00 H new ATOM 269 N GLU A 17 7.789 -6.179 -9.819 1.00 0.00 N ATOM 270 CA GLU A 17 9.103 -5.503 -10.031 1.00 0.00 C ATOM 271 C GLU A 17 8.924 -4.104 -10.641 1.00 0.00 C ATOM 272 O GLU A 17 8.876 -3.116 -9.935 1.00 0.00 O ATOM 273 CB GLU A 17 9.867 -6.427 -10.985 1.00 0.00 C ATOM 274 CG GLU A 17 11.296 -5.912 -11.164 1.00 0.00 C ATOM 275 CD GLU A 17 11.400 -5.136 -12.478 1.00 0.00 C ATOM 276 OE1 GLU A 17 11.335 -5.764 -13.522 1.00 0.00 O ATOM 277 OE2 GLU A 17 11.544 -3.925 -12.418 1.00 0.00 O ATOM 0 H GLU A 17 7.036 -5.884 -10.441 1.00 0.00 H new ATOM 0 HA GLU A 17 9.636 -5.347 -9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.883 -7.442 -10.589 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.361 -6.469 -11.950 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.569 -5.269 -10.327 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.997 -6.747 -11.166 1.00 0.00 H new ATOM 284 N SER A 18 8.843 -4.005 -11.942 1.00 0.00 N ATOM 285 CA SER A 18 8.692 -2.665 -12.582 1.00 0.00 C ATOM 286 C SER A 18 7.229 -2.207 -12.570 1.00 0.00 C ATOM 287 O SER A 18 6.939 -1.038 -12.725 1.00 0.00 O ATOM 288 CB SER A 18 9.177 -2.867 -14.016 1.00 0.00 C ATOM 289 OG SER A 18 10.363 -2.111 -14.224 1.00 0.00 O ATOM 0 H SER A 18 8.875 -4.793 -12.588 1.00 0.00 H new ATOM 0 HA SER A 18 9.255 -1.896 -12.054 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.369 -3.924 -14.201 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.405 -2.555 -14.720 1.00 0.00 H new ATOM 0 HG SER A 18 11.095 -2.500 -13.701 1.00 0.00 H new ATOM 295 N MET A 19 6.306 -3.112 -12.393 1.00 0.00 N ATOM 296 CA MET A 19 4.869 -2.710 -12.380 1.00 0.00 C ATOM 297 C MET A 19 4.534 -1.963 -11.086 1.00 0.00 C ATOM 298 O MET A 19 3.615 -1.170 -11.036 1.00 0.00 O ATOM 299 CB MET A 19 4.090 -4.021 -12.467 1.00 0.00 C ATOM 300 CG MET A 19 3.198 -3.996 -13.710 1.00 0.00 C ATOM 301 SD MET A 19 3.348 -5.569 -14.593 1.00 0.00 S ATOM 302 CE MET A 19 2.381 -5.100 -16.049 1.00 0.00 C ATOM 0 H MET A 19 6.482 -4.108 -12.257 1.00 0.00 H new ATOM 0 HA MET A 19 4.622 -2.036 -13.201 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.779 -4.864 -12.516 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.483 -4.157 -11.572 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.160 -3.826 -13.423 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.488 -3.172 -14.362 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.340 -5.938 -16.744 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.369 -4.833 -15.743 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.850 -4.246 -16.538 1.00 0.00 H new ATOM 312 N ILE A 20 5.276 -2.207 -10.042 1.00 0.00 N ATOM 313 CA ILE A 20 5.009 -1.508 -8.750 1.00 0.00 C ATOM 314 C ILE A 20 6.072 -0.438 -8.509 1.00 0.00 C ATOM 315 O ILE A 20 5.928 0.423 -7.664 1.00 0.00 O ATOM 316 CB ILE A 20 5.107 -2.599 -7.689 1.00 0.00 C ATOM 317 CG1 ILE A 20 4.988 -1.975 -6.296 1.00 0.00 C ATOM 318 CG2 ILE A 20 6.454 -3.305 -7.806 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.735 -2.506 -5.592 1.00 0.00 C ATOM 0 H ILE A 20 6.058 -2.862 -10.026 1.00 0.00 H new ATOM 0 HA ILE A 20 4.040 -1.009 -8.738 1.00 0.00 H new ATOM 0 HB ILE A 20 4.301 -3.317 -7.838 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.874 -2.209 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.937 -0.889 -6.377 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.523 -4.085 -7.047 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.545 -3.753 -8.796 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.257 -2.583 -7.659 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.657 -2.058 -4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.852 -2.249 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.803 -3.590 -5.496 1.00 0.00 H new ATOM 331 N ALA A 21 7.145 -0.498 -9.242 1.00 0.00 N ATOM 332 CA ALA A 21 8.233 0.499 -9.062 1.00 0.00 C ATOM 333 C ALA A 21 7.813 1.860 -9.629 1.00 0.00 C ATOM 334 O ALA A 21 7.287 2.697 -8.926 1.00 0.00 O ATOM 335 CB ALA A 21 9.404 -0.081 -9.846 1.00 0.00 C ATOM 0 H ALA A 21 7.316 -1.199 -9.963 1.00 0.00 H new ATOM 0 HA ALA A 21 8.480 0.669 -8.014 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.260 0.590 -9.771 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.670 -1.055 -9.436 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.121 -0.193 -10.893 1.00 0.00 H new ATOM 341 N MET A 22 8.040 2.089 -10.894 1.00 0.00 N ATOM 342 CA MET A 22 7.651 3.401 -11.498 1.00 0.00 C ATOM 343 C MET A 22 6.250 3.811 -11.032 1.00 0.00 C ATOM 344 O MET A 22 5.904 4.976 -11.017 1.00 0.00 O ATOM 345 CB MET A 22 7.659 3.157 -13.007 1.00 0.00 C ATOM 346 CG MET A 22 7.307 4.454 -13.738 1.00 0.00 C ATOM 347 SD MET A 22 5.638 4.324 -14.425 1.00 0.00 S ATOM 348 CE MET A 22 6.106 3.607 -16.018 1.00 0.00 C ATOM 0 H MET A 22 8.477 1.428 -11.536 1.00 0.00 H new ATOM 0 HA MET A 22 8.328 4.204 -11.207 1.00 0.00 H new ATOM 0 HB2 MET A 22 8.641 2.804 -13.323 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.942 2.377 -13.263 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.365 5.298 -13.051 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.026 4.642 -14.535 1.00 0.00 H new ATOM 0 HE1 MET A 22 5.212 3.439 -16.618 1.00 0.00 H new ATOM 0 HE2 MET A 22 6.773 4.291 -16.543 1.00 0.00 H new ATOM 0 HE3 MET A 22 6.616 2.658 -15.854 1.00 0.00 H new ATOM 358 N LEU A 23 5.442 2.860 -10.660 1.00 0.00 N ATOM 359 CA LEU A 23 4.061 3.181 -10.203 1.00 0.00 C ATOM 360 C LEU A 23 4.086 3.715 -8.762 1.00 0.00 C ATOM 361 O LEU A 23 3.079 4.140 -8.233 1.00 0.00 O ATOM 362 CB LEU A 23 3.322 1.837 -10.298 1.00 0.00 C ATOM 363 CG LEU A 23 1.970 1.890 -9.578 1.00 0.00 C ATOM 364 CD1 LEU A 23 2.183 1.770 -8.068 1.00 0.00 C ATOM 365 CD2 LEU A 23 1.250 3.204 -9.898 1.00 0.00 C ATOM 0 H LEU A 23 5.679 1.868 -10.652 1.00 0.00 H new ATOM 0 HA LEU A 23 3.578 3.957 -10.797 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.168 1.578 -11.346 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.937 1.050 -9.862 1.00 0.00 H new ATOM 0 HG LEU A 23 1.355 1.059 -9.922 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.219 1.808 -7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.674 0.823 -7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.808 2.593 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.291 3.229 -9.380 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.862 4.044 -9.569 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.084 3.276 -10.973 1.00 0.00 H new ATOM 377 N ILE A 24 5.231 3.707 -8.124 1.00 0.00 N ATOM 378 CA ILE A 24 5.303 4.219 -6.720 1.00 0.00 C ATOM 379 C ILE A 24 6.116 5.515 -6.648 1.00 0.00 C ATOM 380 O ILE A 24 5.888 6.355 -5.800 1.00 0.00 O ATOM 381 CB ILE A 24 5.989 3.113 -5.912 1.00 0.00 C ATOM 382 CG1 ILE A 24 5.817 3.404 -4.420 1.00 0.00 C ATOM 383 CG2 ILE A 24 7.485 3.054 -6.240 1.00 0.00 C ATOM 384 CD1 ILE A 24 5.585 2.096 -3.665 1.00 0.00 C ATOM 0 H ILE A 24 6.113 3.371 -8.511 1.00 0.00 H new ATOM 0 HA ILE A 24 4.311 4.451 -6.332 1.00 0.00 H new ATOM 0 HB ILE A 24 5.534 2.156 -6.168 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.703 3.907 -4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.975 4.079 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.955 2.262 -5.656 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.617 2.848 -7.302 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.949 4.009 -5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.463 2.306 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.686 1.611 -4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.441 1.436 -3.808 1.00 0.00 H new ATOM 396 N GLU A 25 7.062 5.685 -7.526 1.00 0.00 N ATOM 397 CA GLU A 25 7.885 6.928 -7.498 1.00 0.00 C ATOM 398 C GLU A 25 7.152 8.054 -8.225 1.00 0.00 C ATOM 399 O GLU A 25 7.360 9.221 -7.957 1.00 0.00 O ATOM 400 CB GLU A 25 9.180 6.564 -8.221 1.00 0.00 C ATOM 401 CG GLU A 25 9.959 5.548 -7.383 1.00 0.00 C ATOM 402 CD GLU A 25 11.439 5.932 -7.359 1.00 0.00 C ATOM 403 OE1 GLU A 25 11.888 6.543 -8.315 1.00 0.00 O ATOM 404 OE2 GLU A 25 12.100 5.608 -6.386 1.00 0.00 O ATOM 0 H GLU A 25 7.302 5.020 -8.261 1.00 0.00 H new ATOM 0 HA GLU A 25 8.078 7.279 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.957 6.148 -9.203 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.783 7.457 -8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.564 5.519 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.839 4.548 -7.800 1.00 0.00 H new ATOM 411 N ASP A 26 6.287 7.710 -9.137 1.00 0.00 N ATOM 412 CA ASP A 26 5.529 8.754 -9.875 1.00 0.00 C ATOM 413 C ASP A 26 4.332 9.205 -9.034 1.00 0.00 C ATOM 414 O ASP A 26 3.984 10.368 -9.004 1.00 0.00 O ATOM 415 CB ASP A 26 5.079 8.067 -11.166 1.00 0.00 C ATOM 416 CG ASP A 26 3.856 7.186 -10.891 1.00 0.00 C ATOM 417 OD1 ASP A 26 3.885 6.455 -9.915 1.00 0.00 O ATOM 418 OD2 ASP A 26 2.915 7.257 -11.664 1.00 0.00 O ATOM 0 H ASP A 26 6.073 6.749 -9.403 1.00 0.00 H new ATOM 0 HA ASP A 26 6.119 9.646 -10.086 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.836 8.815 -11.921 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.891 7.461 -11.568 1.00 0.00 H new ATOM 423 N THR A 27 3.710 8.295 -8.336 1.00 0.00 N ATOM 424 CA THR A 27 2.556 8.681 -7.485 1.00 0.00 C ATOM 425 C THR A 27 3.041 9.647 -6.406 1.00 0.00 C ATOM 426 O THR A 27 2.425 10.658 -6.134 1.00 0.00 O ATOM 427 CB THR A 27 2.058 7.375 -6.866 1.00 0.00 C ATOM 428 OG1 THR A 27 3.086 6.397 -6.941 1.00 0.00 O ATOM 429 CG2 THR A 27 0.828 6.885 -7.632 1.00 0.00 C ATOM 0 H THR A 27 3.952 7.304 -8.320 1.00 0.00 H new ATOM 0 HA THR A 27 1.762 9.179 -8.041 1.00 0.00 H new ATOM 0 HB THR A 27 1.791 7.543 -5.823 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.897 5.780 -7.678 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.472 5.954 -7.191 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.041 7.637 -7.576 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.093 6.715 -8.675 1.00 0.00 H new ATOM 437 N LEU A 28 4.159 9.350 -5.805 1.00 0.00 N ATOM 438 CA LEU A 28 4.707 10.254 -4.760 1.00 0.00 C ATOM 439 C LEU A 28 5.012 11.618 -5.389 1.00 0.00 C ATOM 440 O LEU A 28 4.733 12.655 -4.820 1.00 0.00 O ATOM 441 CB LEU A 28 5.976 9.532 -4.261 1.00 0.00 C ATOM 442 CG LEU A 28 7.229 10.410 -4.410 1.00 0.00 C ATOM 443 CD1 LEU A 28 7.241 11.480 -3.317 1.00 0.00 C ATOM 444 CD2 LEU A 28 8.479 9.536 -4.282 1.00 0.00 C ATOM 0 H LEU A 28 4.717 8.518 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 28 4.024 10.449 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.849 9.255 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.112 8.607 -4.821 1.00 0.00 H new ATOM 0 HG LEU A 28 7.219 10.893 -5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.130 12.101 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.351 12.102 -3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.250 11.000 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.369 10.156 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.487 9.053 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.473 8.775 -5.063 1.00 0.00 H new ATOM 456 N CYS A 29 5.575 11.621 -6.567 1.00 0.00 N ATOM 457 CA CYS A 29 5.890 12.912 -7.235 1.00 0.00 C ATOM 458 C CYS A 29 4.682 13.845 -7.139 1.00 0.00 C ATOM 459 O CYS A 29 4.810 15.054 -7.171 1.00 0.00 O ATOM 460 CB CYS A 29 6.176 12.545 -8.693 1.00 0.00 C ATOM 461 SG CYS A 29 6.278 14.053 -9.689 1.00 0.00 S ATOM 0 H CYS A 29 5.829 10.785 -7.094 1.00 0.00 H new ATOM 0 HA CYS A 29 6.735 13.428 -6.778 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.110 11.988 -8.762 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.389 11.896 -9.077 1.00 0.00 H new ATOM 0 HG CYS A 29 5.081 14.515 -9.901 1.00 0.00 H new ATOM 467 N GLU A 30 3.508 13.286 -7.026 1.00 0.00 N ATOM 468 CA GLU A 30 2.286 14.124 -6.934 1.00 0.00 C ATOM 469 C GLU A 30 1.854 14.312 -5.472 1.00 0.00 C ATOM 470 O GLU A 30 1.524 15.404 -5.053 1.00 0.00 O ATOM 471 CB GLU A 30 1.221 13.352 -7.714 1.00 0.00 C ATOM 472 CG GLU A 30 0.830 14.142 -8.966 1.00 0.00 C ATOM 473 CD GLU A 30 2.034 14.248 -9.904 1.00 0.00 C ATOM 474 OE1 GLU A 30 3.142 14.043 -9.438 1.00 0.00 O ATOM 475 OE2 GLU A 30 1.827 14.535 -11.072 1.00 0.00 O ATOM 0 H GLU A 30 3.345 12.280 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 30 2.449 15.124 -7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.602 12.370 -7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.345 13.187 -7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.002 13.649 -9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.485 15.138 -8.687 1.00 0.00 H new ATOM 482 N LEU A 31 1.835 13.258 -4.695 1.00 0.00 N ATOM 483 CA LEU A 31 1.402 13.391 -3.269 1.00 0.00 C ATOM 484 C LEU A 31 2.545 13.920 -2.395 1.00 0.00 C ATOM 485 O LEU A 31 2.412 14.928 -1.731 1.00 0.00 O ATOM 486 CB LEU A 31 1.015 11.977 -2.837 1.00 0.00 C ATOM 487 CG LEU A 31 -0.077 11.436 -3.761 1.00 0.00 C ATOM 488 CD1 LEU A 31 -0.013 9.909 -3.783 1.00 0.00 C ATOM 489 CD2 LEU A 31 -1.449 11.878 -3.244 1.00 0.00 C ATOM 0 H LEU A 31 2.099 12.316 -4.984 1.00 0.00 H new ATOM 0 HA LEU A 31 0.578 14.096 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.888 11.325 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.661 11.985 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 31 0.075 11.823 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.791 9.522 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.963 9.591 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.166 9.524 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.227 11.493 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.601 11.490 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.497 12.967 -3.224 1.00 0.00 H new ATOM 501 N GLY A 32 3.668 13.253 -2.388 1.00 0.00 N ATOM 502 CA GLY A 32 4.808 13.733 -1.556 1.00 0.00 C ATOM 503 C GLY A 32 5.158 12.698 -0.481 1.00 0.00 C ATOM 504 O GLY A 32 5.911 12.977 0.431 1.00 0.00 O ATOM 0 H GLY A 32 3.844 12.401 -2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.676 13.917 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.549 14.682 -1.086 1.00 0.00 H new ATOM 508 N HIS A 33 4.623 11.508 -0.570 1.00 0.00 N ATOM 509 CA HIS A 33 4.943 10.473 0.458 1.00 0.00 C ATOM 510 C HIS A 33 6.455 10.446 0.716 1.00 0.00 C ATOM 511 O HIS A 33 7.220 11.107 0.043 1.00 0.00 O ATOM 512 CB HIS A 33 4.462 9.147 -0.137 1.00 0.00 C ATOM 513 CG HIS A 33 2.975 9.014 0.077 1.00 0.00 C ATOM 514 ND1 HIS A 33 2.048 9.454 -0.857 1.00 0.00 N ATOM 515 CD2 HIS A 33 2.242 8.496 1.116 1.00 0.00 C ATOM 516 CE1 HIS A 33 0.819 9.197 -0.364 1.00 0.00 C ATOM 517 NE2 HIS A 33 0.882 8.612 0.836 1.00 0.00 N ATOM 0 H HIS A 33 3.982 11.209 -1.305 1.00 0.00 H new ATOM 0 HA HIS A 33 4.462 10.674 1.415 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.693 9.108 -1.202 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.984 8.314 0.333 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.657 8.064 2.015 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.102 9.435 -0.876 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.102 8.314 1.421 1.00 0.00 H new ATOM 525 N GLU A 34 6.895 9.704 1.697 1.00 0.00 N ATOM 526 CA GLU A 34 8.358 9.667 1.999 1.00 0.00 C ATOM 527 C GLU A 34 8.987 8.326 1.595 1.00 0.00 C ATOM 528 O GLU A 34 9.679 7.714 2.377 1.00 0.00 O ATOM 529 CB GLU A 34 8.443 9.854 3.514 1.00 0.00 C ATOM 530 CG GLU A 34 9.209 11.141 3.829 1.00 0.00 C ATOM 531 CD GLU A 34 10.340 10.837 4.813 1.00 0.00 C ATOM 532 OE1 GLU A 34 11.290 10.185 4.411 1.00 0.00 O ATOM 533 OE2 GLU A 34 10.237 11.261 5.954 1.00 0.00 O ATOM 0 H GLU A 34 6.310 9.125 2.300 1.00 0.00 H new ATOM 0 HA GLU A 34 8.900 10.433 1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.442 9.901 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.944 9.000 3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.616 11.568 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.534 11.884 4.254 1.00 0.00 H new ATOM 540 N VAL A 35 8.760 7.885 0.379 1.00 0.00 N ATOM 541 CA VAL A 35 9.348 6.588 -0.110 1.00 0.00 C ATOM 542 C VAL A 35 9.079 5.435 0.867 1.00 0.00 C ATOM 543 O VAL A 35 8.924 5.629 2.054 1.00 0.00 O ATOM 544 CB VAL A 35 10.861 6.838 -0.282 1.00 0.00 C ATOM 545 CG1 VAL A 35 11.081 8.231 -0.875 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.604 6.740 1.062 1.00 0.00 C ATOM 0 H VAL A 35 8.185 8.373 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 35 8.889 6.286 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 35 11.257 6.072 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.149 8.410 -0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.589 8.295 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.662 8.982 -0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.667 6.921 0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.207 7.485 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.464 5.744 1.483 1.00 0.00 H new ATOM 556 N ALA A 36 9.020 4.226 0.377 1.00 0.00 N ATOM 557 CA ALA A 36 8.765 3.081 1.290 1.00 0.00 C ATOM 558 C ALA A 36 9.227 1.760 0.668 1.00 0.00 C ATOM 559 O ALA A 36 10.380 1.393 0.774 1.00 0.00 O ATOM 560 CB ALA A 36 7.260 3.072 1.517 1.00 0.00 C ATOM 0 H ALA A 36 9.136 3.985 -0.607 1.00 0.00 H new ATOM 0 HA ALA A 36 9.318 3.186 2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.997 2.251 2.184 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.954 4.016 1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.749 2.943 0.563 1.00 0.00 H new ATOM 566 N ALA A 37 8.345 1.024 0.037 1.00 0.00 N ATOM 567 CA ALA A 37 8.775 -0.273 -0.553 1.00 0.00 C ATOM 568 C ALA A 37 8.389 -0.365 -2.030 1.00 0.00 C ATOM 569 O ALA A 37 7.416 0.214 -2.473 1.00 0.00 O ATOM 570 CB ALA A 37 8.047 -1.342 0.262 1.00 0.00 C ATOM 0 H ALA A 37 7.362 1.263 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 37 9.858 -0.392 -0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.313 -2.330 -0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.338 -1.262 1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.970 -1.198 0.172 1.00 0.00 H new ATOM 576 N THR A 38 9.152 -1.107 -2.785 1.00 0.00 N ATOM 577 CA THR A 38 8.867 -1.279 -4.235 1.00 0.00 C ATOM 578 C THR A 38 9.127 -2.738 -4.620 1.00 0.00 C ATOM 579 O THR A 38 9.875 -3.433 -3.961 1.00 0.00 O ATOM 580 CB THR A 38 9.848 -0.345 -4.949 1.00 0.00 C ATOM 581 OG1 THR A 38 11.179 -0.719 -4.623 1.00 0.00 O ATOM 582 CG2 THR A 38 9.600 1.100 -4.506 1.00 0.00 C ATOM 0 H THR A 38 9.975 -1.609 -2.451 1.00 0.00 H new ATOM 0 HA THR A 38 7.836 -1.045 -4.499 1.00 0.00 H new ATOM 0 HB THR A 38 9.701 -0.422 -6.026 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.808 -0.123 -5.081 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.300 1.762 -5.016 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.579 1.388 -4.758 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.744 1.180 -3.429 1.00 0.00 H new ATOM 590 N ALA A 39 8.507 -3.218 -5.661 1.00 0.00 N ATOM 591 CA ALA A 39 8.718 -4.644 -6.053 1.00 0.00 C ATOM 592 C ALA A 39 8.350 -5.527 -4.868 1.00 0.00 C ATOM 593 O ALA A 39 7.947 -5.030 -3.851 1.00 0.00 O ATOM 594 CB ALA A 39 10.203 -4.756 -6.365 1.00 0.00 C ATOM 0 H ALA A 39 7.867 -2.691 -6.255 1.00 0.00 H new ATOM 0 HA ALA A 39 8.113 -4.951 -6.906 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.436 -5.779 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.456 -4.075 -7.178 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.782 -4.494 -5.479 1.00 0.00 H new ATOM 600 N SER A 40 8.475 -6.820 -4.966 1.00 0.00 N ATOM 601 CA SER A 40 8.108 -7.659 -3.789 1.00 0.00 C ATOM 602 C SER A 40 9.352 -8.228 -3.112 1.00 0.00 C ATOM 603 O SER A 40 10.142 -8.936 -3.705 1.00 0.00 O ATOM 604 CB SER A 40 7.193 -8.755 -4.329 1.00 0.00 C ATOM 605 OG SER A 40 7.941 -9.648 -5.147 1.00 0.00 O ATOM 0 H SER A 40 8.807 -7.324 -5.788 1.00 0.00 H new ATOM 0 HA SER A 40 7.600 -7.078 -3.019 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.736 -9.300 -3.503 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.381 -8.312 -4.906 1.00 0.00 H new ATOM 0 HG SER A 40 8.886 -9.612 -4.891 1.00 0.00 H new ATOM 611 N ARG A 41 9.526 -7.898 -1.859 1.00 0.00 N ATOM 612 CA ARG A 41 10.704 -8.379 -1.102 1.00 0.00 C ATOM 613 C ARG A 41 10.263 -9.101 0.174 1.00 0.00 C ATOM 614 O ARG A 41 9.329 -8.694 0.837 1.00 0.00 O ATOM 615 CB ARG A 41 11.478 -7.109 -0.754 1.00 0.00 C ATOM 616 CG ARG A 41 12.872 -7.483 -0.260 1.00 0.00 C ATOM 617 CD ARG A 41 13.674 -8.064 -1.422 1.00 0.00 C ATOM 618 NE ARG A 41 14.989 -8.432 -0.828 1.00 0.00 N ATOM 619 CZ ARG A 41 16.089 -8.243 -1.503 1.00 0.00 C ATOM 620 NH1 ARG A 41 16.231 -7.171 -2.235 1.00 0.00 N ATOM 621 NH2 ARG A 41 17.047 -9.124 -1.443 1.00 0.00 N ATOM 0 H ARG A 41 8.888 -7.306 -1.326 1.00 0.00 H new ATOM 0 HA ARG A 41 11.302 -9.089 -1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.552 -6.464 -1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.947 -6.546 0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.376 -6.605 0.143 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.802 -8.210 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.176 -8.934 -1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.792 -7.336 -2.225 1.00 0.00 H new ATOM 0 HE ARG A 41 15.030 -8.833 0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.481 -6.481 -2.279 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.092 -7.024 -2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.936 -9.960 -0.869 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.908 -8.978 -1.970 1.00 0.00 H new ATOM 635 N MET A 42 10.929 -10.167 0.525 1.00 0.00 N ATOM 636 CA MET A 42 10.554 -10.911 1.756 1.00 0.00 C ATOM 637 C MET A 42 11.111 -10.195 2.989 1.00 0.00 C ATOM 638 O MET A 42 10.548 -10.255 4.064 1.00 0.00 O ATOM 639 CB MET A 42 11.197 -12.291 1.599 1.00 0.00 C ATOM 640 CG MET A 42 10.624 -12.987 0.362 1.00 0.00 C ATOM 641 SD MET A 42 11.404 -14.608 0.164 1.00 0.00 S ATOM 642 CE MET A 42 13.044 -14.014 -0.313 1.00 0.00 C ATOM 0 H MET A 42 11.719 -10.554 0.009 1.00 0.00 H new ATOM 0 HA MET A 42 9.474 -10.980 1.887 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.278 -12.191 1.504 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.009 -12.894 2.487 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.545 -13.101 0.463 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.798 -12.377 -0.525 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.496 -14.716 -1.013 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.953 -13.037 -0.787 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.673 -13.930 0.573 1.00 0.00 H new ATOM 652 N GLN A 43 12.214 -9.516 2.838 1.00 0.00 N ATOM 653 CA GLN A 43 12.813 -8.792 3.994 1.00 0.00 C ATOM 654 C GLN A 43 11.962 -7.569 4.339 1.00 0.00 C ATOM 655 O GLN A 43 11.656 -7.315 5.487 1.00 0.00 O ATOM 656 CB GLN A 43 14.200 -8.367 3.512 1.00 0.00 C ATOM 657 CG GLN A 43 14.883 -7.520 4.588 1.00 0.00 C ATOM 658 CD GLN A 43 16.396 -7.535 4.359 1.00 0.00 C ATOM 659 OE1 GLN A 43 16.851 -7.730 3.249 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.201 -7.339 5.368 1.00 0.00 N ATOM 0 H GLN A 43 12.728 -9.431 1.961 1.00 0.00 H new ATOM 0 HA GLN A 43 12.866 -9.406 4.893 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.804 -9.247 3.290 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.115 -7.797 2.587 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.509 -6.497 4.554 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.650 -7.912 5.578 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.820 -7.175 6.300 1.00 0.00 H new ATOM 0 HE22 GLN A 43 18.211 -7.350 5.224 1.00 0.00 H new ATOM 669 N GLU A 44 11.572 -6.812 3.349 1.00 0.00 N ATOM 670 CA GLU A 44 10.738 -5.609 3.615 1.00 0.00 C ATOM 671 C GLU A 44 9.398 -6.026 4.228 1.00 0.00 C ATOM 672 O GLU A 44 8.976 -5.498 5.237 1.00 0.00 O ATOM 673 CB GLU A 44 10.533 -4.962 2.245 1.00 0.00 C ATOM 674 CG GLU A 44 11.882 -4.483 1.706 1.00 0.00 C ATOM 675 CD GLU A 44 11.946 -2.956 1.774 1.00 0.00 C ATOM 676 OE1 GLU A 44 10.906 -2.334 1.636 1.00 0.00 O ATOM 677 OE2 GLU A 44 13.033 -2.436 1.962 1.00 0.00 O ATOM 0 H GLU A 44 11.796 -6.976 2.368 1.00 0.00 H new ATOM 0 HA GLU A 44 11.207 -4.922 4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.086 -5.678 1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.842 -4.123 2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.694 -4.918 2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.014 -4.818 0.677 1.00 0.00 H new ATOM 684 N ALA A 45 8.729 -6.976 3.633 1.00 0.00 N ATOM 685 CA ALA A 45 7.425 -7.424 4.195 1.00 0.00 C ATOM 686 C ALA A 45 7.588 -7.734 5.684 1.00 0.00 C ATOM 687 O ALA A 45 6.870 -7.221 6.520 1.00 0.00 O ATOM 688 CB ALA A 45 7.068 -8.691 3.414 1.00 0.00 C ATOM 0 H ALA A 45 9.028 -7.459 2.786 1.00 0.00 H new ATOM 0 HA ALA A 45 6.647 -6.666 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.116 -9.083 3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.987 -8.454 2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.846 -9.440 3.560 1.00 0.00 H new ATOM 694 N LEU A 46 8.537 -8.562 6.023 1.00 0.00 N ATOM 695 CA LEU A 46 8.760 -8.898 7.456 1.00 0.00 C ATOM 696 C LEU A 46 8.875 -7.613 8.274 1.00 0.00 C ATOM 697 O LEU A 46 8.359 -7.511 9.369 1.00 0.00 O ATOM 698 CB LEU A 46 10.082 -9.666 7.482 1.00 0.00 C ATOM 699 CG LEU A 46 10.406 -10.072 8.920 1.00 0.00 C ATOM 700 CD1 LEU A 46 11.306 -11.309 8.913 1.00 0.00 C ATOM 701 CD2 LEU A 46 11.130 -8.920 9.621 1.00 0.00 C ATOM 0 H LEU A 46 9.169 -9.021 5.367 1.00 0.00 H new ATOM 0 HA LEU A 46 7.943 -9.482 7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.014 -10.551 6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.883 -9.047 7.078 1.00 0.00 H new ATOM 0 HG LEU A 46 9.481 -10.300 9.450 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.536 -11.597 9.939 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.793 -12.130 8.412 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.231 -11.083 8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.362 -9.207 10.647 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.054 -8.694 9.089 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.490 -8.038 9.627 1.00 0.00 H new ATOM 713 N ASP A 47 9.548 -6.628 7.746 1.00 0.00 N ATOM 714 CA ASP A 47 9.695 -5.349 8.490 1.00 0.00 C ATOM 715 C ASP A 47 8.323 -4.709 8.695 1.00 0.00 C ATOM 716 O ASP A 47 7.945 -4.374 9.801 1.00 0.00 O ATOM 717 CB ASP A 47 10.579 -4.469 7.608 1.00 0.00 C ATOM 718 CG ASP A 47 10.493 -3.020 8.086 1.00 0.00 C ATOM 719 OD1 ASP A 47 9.495 -2.381 7.796 1.00 0.00 O ATOM 720 OD2 ASP A 47 11.424 -2.575 8.734 1.00 0.00 O ATOM 0 H ASP A 47 10.001 -6.655 6.833 1.00 0.00 H new ATOM 0 HA ASP A 47 10.133 -5.490 9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.612 -4.816 7.648 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.259 -4.540 6.568 1.00 0.00 H new ATOM 725 N ILE A 48 7.564 -4.546 7.645 1.00 0.00 N ATOM 726 CA ILE A 48 6.215 -3.941 7.807 1.00 0.00 C ATOM 727 C ILE A 48 5.306 -4.952 8.513 1.00 0.00 C ATOM 728 O ILE A 48 4.267 -4.613 9.034 1.00 0.00 O ATOM 729 CB ILE A 48 5.709 -3.582 6.389 1.00 0.00 C ATOM 730 CG1 ILE A 48 4.947 -4.766 5.767 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.892 -3.193 5.494 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.899 -4.625 4.241 1.00 0.00 C ATOM 0 H ILE A 48 7.818 -4.803 6.691 1.00 0.00 H new ATOM 0 HA ILE A 48 6.229 -3.038 8.417 1.00 0.00 H new ATOM 0 HB ILE A 48 5.026 -2.736 6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.434 -5.703 6.037 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.934 -4.806 6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.527 -2.942 4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.403 -2.331 5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.587 -4.030 5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.357 -5.469 3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.391 -3.697 3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.914 -4.608 3.845 1.00 0.00 H new ATOM 744 N ALA A 49 5.712 -6.194 8.558 1.00 0.00 N ATOM 745 CA ALA A 49 4.891 -7.220 9.254 1.00 0.00 C ATOM 746 C ALA A 49 5.163 -7.152 10.757 1.00 0.00 C ATOM 747 O ALA A 49 4.335 -7.513 11.570 1.00 0.00 O ATOM 748 CB ALA A 49 5.352 -8.564 8.689 1.00 0.00 C ATOM 0 H ALA A 49 6.577 -6.539 8.142 1.00 0.00 H new ATOM 0 HA ALA A 49 3.822 -7.070 9.103 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.787 -9.369 9.159 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.184 -8.583 7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.414 -8.699 8.893 1.00 0.00 H new ATOM 754 N ARG A 50 6.327 -6.691 11.126 1.00 0.00 N ATOM 755 CA ARG A 50 6.674 -6.589 12.564 1.00 0.00 C ATOM 756 C ARG A 50 6.566 -5.133 13.018 1.00 0.00 C ATOM 757 O ARG A 50 6.398 -4.844 14.186 1.00 0.00 O ATOM 758 CB ARG A 50 8.122 -7.077 12.656 1.00 0.00 C ATOM 759 CG ARG A 50 8.146 -8.534 13.128 1.00 0.00 C ATOM 760 CD ARG A 50 7.263 -9.394 12.217 1.00 0.00 C ATOM 761 NE ARG A 50 6.451 -10.222 13.150 1.00 0.00 N ATOM 762 CZ ARG A 50 5.364 -10.807 12.728 1.00 0.00 C ATOM 763 NH1 ARG A 50 5.350 -11.402 11.568 1.00 0.00 N ATOM 764 NH2 ARG A 50 4.288 -10.796 13.466 1.00 0.00 N ATOM 0 H ARG A 50 7.056 -6.379 10.484 1.00 0.00 H new ATOM 0 HA ARG A 50 6.009 -7.174 13.199 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.607 -6.991 11.684 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.684 -6.451 13.349 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.169 -8.911 13.119 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.792 -8.598 14.157 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.629 -8.776 11.582 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.865 -10.017 11.556 1.00 0.00 H new ATOM 0 HE ARG A 50 6.745 -10.332 14.121 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.190 -11.411 10.989 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.499 -11.859 11.239 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.297 -10.330 14.373 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.438 -11.253 13.136 1.00 0.00 H new ATOM 778 N LYS A 51 6.663 -4.215 12.096 1.00 0.00 N ATOM 779 CA LYS A 51 6.570 -2.775 12.457 1.00 0.00 C ATOM 780 C LYS A 51 5.144 -2.415 12.878 1.00 0.00 C ATOM 781 O LYS A 51 4.933 -1.769 13.885 1.00 0.00 O ATOM 782 CB LYS A 51 6.960 -2.021 11.182 1.00 0.00 C ATOM 783 CG LYS A 51 6.716 -0.522 11.372 1.00 0.00 C ATOM 784 CD LYS A 51 7.990 0.249 11.020 1.00 0.00 C ATOM 785 CE LYS A 51 8.586 0.857 12.291 1.00 0.00 C ATOM 786 NZ LYS A 51 8.500 2.331 12.091 1.00 0.00 N ATOM 0 H LYS A 51 6.803 -4.403 11.103 1.00 0.00 H new ATOM 0 HA LYS A 51 7.216 -2.522 13.298 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.009 -2.201 10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.377 -2.390 10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.892 -0.193 10.739 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.427 -0.317 12.403 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.713 -0.417 10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.765 1.035 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.030 0.546 13.175 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.618 0.538 12.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.680 2.815 12.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.209 2.628 11.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.550 2.580 11.748 1.00 0.00 H new ATOM 800 N GLY A 52 4.162 -2.808 12.112 1.00 0.00 N ATOM 801 CA GLY A 52 2.762 -2.458 12.481 1.00 0.00 C ATOM 802 C GLY A 52 2.674 -0.940 12.628 1.00 0.00 C ATOM 803 O GLY A 52 1.784 -0.411 13.264 1.00 0.00 O ATOM 0 H GLY A 52 4.267 -3.351 11.255 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.068 -2.807 11.716 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.481 -2.947 13.413 1.00 0.00 H new ATOM 807 N GLN A 53 3.607 -0.242 12.041 1.00 0.00 N ATOM 808 CA GLN A 53 3.615 1.243 12.128 1.00 0.00 C ATOM 809 C GLN A 53 4.296 1.816 10.889 1.00 0.00 C ATOM 810 O GLN A 53 5.374 2.371 10.959 1.00 0.00 O ATOM 811 CB GLN A 53 4.431 1.561 13.380 1.00 0.00 C ATOM 812 CG GLN A 53 3.485 1.723 14.564 1.00 0.00 C ATOM 813 CD GLN A 53 4.112 2.658 15.599 1.00 0.00 C ATOM 814 OE1 GLN A 53 4.334 2.270 16.729 1.00 0.00 O ATOM 815 NE2 GLN A 53 4.408 3.884 15.261 1.00 0.00 N ATOM 0 H GLN A 53 4.372 -0.643 11.499 1.00 0.00 H new ATOM 0 HA GLN A 53 2.613 1.669 12.181 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.146 0.762 13.576 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.007 2.474 13.231 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.530 2.126 14.227 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.280 0.752 15.014 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.222 4.211 14.313 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.825 4.515 15.945 1.00 0.00 H new ATOM 824 N PHE A 54 3.685 1.664 9.751 1.00 0.00 N ATOM 825 CA PHE A 54 4.311 2.177 8.504 1.00 0.00 C ATOM 826 C PHE A 54 3.256 2.792 7.582 1.00 0.00 C ATOM 827 O PHE A 54 3.387 2.767 6.376 1.00 0.00 O ATOM 828 CB PHE A 54 4.905 0.935 7.856 1.00 0.00 C ATOM 829 CG PHE A 54 3.837 -0.137 7.801 1.00 0.00 C ATOM 830 CD1 PHE A 54 2.770 -0.024 6.900 1.00 0.00 C ATOM 831 CD2 PHE A 54 3.904 -1.235 8.667 1.00 0.00 C ATOM 832 CE1 PHE A 54 1.774 -1.008 6.865 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.908 -2.219 8.629 1.00 0.00 C ATOM 834 CZ PHE A 54 1.844 -2.105 7.730 1.00 0.00 C ATOM 0 H PHE A 54 2.781 1.208 9.630 1.00 0.00 H new ATOM 0 HA PHE A 54 5.049 2.955 8.698 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.262 1.166 6.852 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.764 0.584 8.427 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.716 0.823 6.232 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.724 -1.323 9.364 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.952 -0.920 6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.962 -3.067 9.295 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.076 -2.864 7.703 1.00 0.00 H new ATOM 844 N ASP A 55 2.222 3.348 8.143 1.00 0.00 N ATOM 845 CA ASP A 55 1.153 3.975 7.320 1.00 0.00 C ATOM 846 C ASP A 55 0.479 2.947 6.390 1.00 0.00 C ATOM 847 O ASP A 55 -0.705 2.703 6.506 1.00 0.00 O ATOM 848 CB ASP A 55 1.868 5.061 6.532 1.00 0.00 C ATOM 849 CG ASP A 55 2.578 6.005 7.503 1.00 0.00 C ATOM 850 OD1 ASP A 55 3.647 5.646 7.971 1.00 0.00 O ATOM 851 OD2 ASP A 55 2.044 7.070 7.764 1.00 0.00 O ATOM 0 H ASP A 55 2.070 3.396 9.150 1.00 0.00 H new ATOM 0 HA ASP A 55 0.345 4.377 7.931 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.589 4.615 5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.153 5.616 5.924 1.00 0.00 H new ATOM 856 N ILE A 56 1.189 2.345 5.460 1.00 0.00 N ATOM 857 CA ILE A 56 0.493 1.360 4.561 1.00 0.00 C ATOM 858 C ILE A 56 1.375 0.164 4.158 1.00 0.00 C ATOM 859 O ILE A 56 2.582 0.181 4.300 1.00 0.00 O ATOM 860 CB ILE A 56 0.086 2.175 3.342 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.029 3.146 3.765 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.400 1.223 2.245 1.00 0.00 C ATOM 863 CD1 ILE A 56 -1.883 3.546 2.564 1.00 0.00 C ATOM 0 H ILE A 56 2.184 2.484 5.287 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.354 0.904 5.074 1.00 0.00 H new ATOM 0 HB ILE A 56 0.928 2.746 2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.656 2.678 4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.591 4.035 4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.694 1.799 1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.403 0.537 1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.256 0.655 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.665 4.233 2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.256 4.034 1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.338 2.656 2.129 1.00 0.00 H new ATOM 875 N ALA A 57 0.752 -0.896 3.674 1.00 0.00 N ATOM 876 CA ALA A 57 1.516 -2.126 3.287 1.00 0.00 C ATOM 877 C ALA A 57 0.859 -2.850 2.101 1.00 0.00 C ATOM 878 O ALA A 57 -0.107 -3.562 2.268 1.00 0.00 O ATOM 879 CB ALA A 57 1.401 -3.005 4.526 1.00 0.00 C ATOM 0 H ALA A 57 -0.256 -0.956 3.532 1.00 0.00 H new ATOM 0 HA ALA A 57 2.538 -1.897 2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.929 -3.943 4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.841 -2.490 5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.350 -3.211 4.729 1.00 0.00 H new ATOM 885 N ILE A 58 1.390 -2.728 0.915 1.00 0.00 N ATOM 886 CA ILE A 58 0.782 -3.457 -0.229 1.00 0.00 C ATOM 887 C ILE A 58 1.672 -4.641 -0.583 1.00 0.00 C ATOM 888 O ILE A 58 2.879 -4.531 -0.628 1.00 0.00 O ATOM 889 CB ILE A 58 0.710 -2.456 -1.377 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.378 -1.423 -1.080 1.00 0.00 C ATOM 891 CG2 ILE A 58 0.374 -3.191 -2.676 1.00 0.00 C ATOM 892 CD1 ILE A 58 0.235 -0.234 -0.340 1.00 0.00 C ATOM 0 H ILE A 58 2.209 -2.162 0.692 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.211 -3.845 -0.003 1.00 0.00 H new ATOM 0 HB ILE A 58 1.672 -1.954 -1.484 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.839 -1.088 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.166 -1.873 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.323 -2.475 -3.496 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.148 -3.929 -2.887 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.588 -3.693 -2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.541 0.502 -0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.676 -0.576 0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.008 0.221 -0.960 1.00 0.00 H new ATOM 904 N ILE A 59 1.081 -5.769 -0.819 1.00 0.00 N ATOM 905 CA ILE A 59 1.875 -6.989 -1.154 1.00 0.00 C ATOM 906 C ILE A 59 1.000 -7.975 -1.959 1.00 0.00 C ATOM 907 O ILE A 59 0.541 -8.975 -1.442 1.00 0.00 O ATOM 908 CB ILE A 59 2.279 -7.626 0.197 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.219 -6.718 0.998 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.989 -8.938 -0.075 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.362 -7.271 2.418 1.00 0.00 C ATOM 0 H ILE A 59 0.071 -5.907 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 59 2.750 -6.745 -1.756 1.00 0.00 H new ATOM 0 HB ILE A 59 1.373 -7.779 0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.195 -6.667 0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.825 -5.702 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.279 -9.397 0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.320 -9.609 -0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.879 -8.752 -0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.030 -6.629 2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.384 -7.299 2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.775 -8.279 2.376 1.00 0.00 H new ATOM 923 N ASP A 60 0.750 -7.692 -3.208 1.00 0.00 N ATOM 924 CA ASP A 60 -0.104 -8.595 -4.041 1.00 0.00 C ATOM 925 C ASP A 60 0.243 -10.068 -3.823 1.00 0.00 C ATOM 926 O ASP A 60 1.393 -10.460 -3.847 1.00 0.00 O ATOM 927 CB ASP A 60 0.182 -8.177 -5.471 1.00 0.00 C ATOM 928 CG ASP A 60 -0.973 -8.620 -6.366 1.00 0.00 C ATOM 929 OD1 ASP A 60 -1.269 -9.804 -6.374 1.00 0.00 O ATOM 930 OD2 ASP A 60 -1.545 -7.769 -7.027 1.00 0.00 O ATOM 0 H ASP A 60 1.103 -6.867 -3.694 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.159 -8.505 -3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.307 -7.096 -5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.115 -8.625 -5.813 1.00 0.00 H new ATOM 935 N VAL A 61 -0.762 -10.880 -3.605 1.00 0.00 N ATOM 936 CA VAL A 61 -0.533 -12.342 -3.362 1.00 0.00 C ATOM 937 C VAL A 61 -0.981 -13.198 -4.546 1.00 0.00 C ATOM 938 O VAL A 61 -1.256 -14.372 -4.394 1.00 0.00 O ATOM 939 CB VAL A 61 -1.398 -12.668 -2.151 1.00 0.00 C ATOM 940 CG1 VAL A 61 -2.872 -12.523 -2.532 1.00 0.00 C ATOM 941 CG2 VAL A 61 -1.129 -14.107 -1.703 1.00 0.00 C ATOM 0 H VAL A 61 -1.740 -10.592 -3.584 1.00 0.00 H new ATOM 0 HA VAL A 61 0.526 -12.552 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.159 -11.984 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.496 -12.755 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.065 -11.500 -2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.107 -13.210 -3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.748 -14.340 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.370 -14.792 -2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.077 -14.215 -1.437 1.00 0.00 H new ATOM 951 N ASN A 62 -1.065 -12.646 -5.717 1.00 0.00 N ATOM 952 CA ASN A 62 -1.505 -13.481 -6.869 1.00 0.00 C ATOM 953 C ASN A 62 -1.086 -12.869 -8.204 1.00 0.00 C ATOM 954 O ASN A 62 -1.536 -13.288 -9.252 1.00 0.00 O ATOM 955 CB ASN A 62 -3.019 -13.513 -6.758 1.00 0.00 C ATOM 956 CG ASN A 62 -3.460 -14.853 -6.164 1.00 0.00 C ATOM 957 OD1 ASN A 62 -3.198 -15.897 -6.728 1.00 0.00 O ATOM 958 ND2 ASN A 62 -4.124 -14.870 -5.040 1.00 0.00 N ATOM 0 H ASN A 62 -0.853 -11.671 -5.929 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.054 -14.473 -6.840 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.365 -12.693 -6.129 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.469 -13.373 -7.741 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.422 -15.758 -4.637 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.345 -13.995 -4.565 1.00 0.00 H new ATOM 965 N LEU A 63 -0.224 -11.898 -8.187 1.00 0.00 N ATOM 966 CA LEU A 63 0.215 -11.293 -9.470 1.00 0.00 C ATOM 967 C LEU A 63 1.685 -11.611 -9.705 1.00 0.00 C ATOM 968 O LEU A 63 2.508 -11.478 -8.822 1.00 0.00 O ATOM 969 CB LEU A 63 0.001 -9.790 -9.311 1.00 0.00 C ATOM 970 CG LEU A 63 -0.767 -9.259 -10.521 1.00 0.00 C ATOM 971 CD1 LEU A 63 -2.079 -10.032 -10.670 1.00 0.00 C ATOM 972 CD2 LEU A 63 -1.071 -7.772 -10.322 1.00 0.00 C ATOM 0 H LEU A 63 0.194 -11.498 -7.347 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.341 -11.680 -10.324 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.553 -9.585 -8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.961 -9.281 -9.223 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.164 -9.388 -11.419 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.628 -9.654 -11.533 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.863 -11.091 -10.812 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.682 -9.902 -9.771 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.619 -7.394 -11.185 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.674 -7.641 -9.424 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.137 -7.221 -10.215 1.00 0.00 H new ATOM 984 N ASP A 64 2.011 -12.041 -10.889 1.00 0.00 N ATOM 985 CA ASP A 64 3.423 -12.381 -11.214 1.00 0.00 C ATOM 986 C ASP A 64 3.938 -13.558 -10.367 1.00 0.00 C ATOM 987 O ASP A 64 5.065 -13.980 -10.532 1.00 0.00 O ATOM 988 CB ASP A 64 4.226 -11.109 -10.925 1.00 0.00 C ATOM 989 CG ASP A 64 4.264 -10.236 -12.181 1.00 0.00 C ATOM 990 OD1 ASP A 64 3.295 -10.254 -12.922 1.00 0.00 O ATOM 991 OD2 ASP A 64 5.262 -9.562 -12.379 1.00 0.00 O ATOM 0 H ASP A 64 1.351 -12.173 -11.656 1.00 0.00 H new ATOM 0 HA ASP A 64 3.520 -12.700 -12.252 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.773 -10.559 -10.100 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.239 -11.367 -10.617 1.00 0.00 H new ATOM 996 N GLY A 65 3.145 -14.124 -9.483 1.00 0.00 N ATOM 997 CA GLY A 65 3.674 -15.286 -8.700 1.00 0.00 C ATOM 998 C GLY A 65 3.238 -15.244 -7.231 1.00 0.00 C ATOM 999 O GLY A 65 3.829 -15.900 -6.396 1.00 0.00 O ATOM 0 H GLY A 65 2.187 -13.843 -9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.327 -16.215 -9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.763 -15.292 -8.754 1.00 0.00 H new ATOM 1003 N GLU A 66 2.218 -14.501 -6.907 1.00 0.00 N ATOM 1004 CA GLU A 66 1.746 -14.438 -5.494 1.00 0.00 C ATOM 1005 C GLU A 66 2.917 -14.464 -4.507 1.00 0.00 C ATOM 1006 O GLU A 66 2.950 -15.281 -3.608 1.00 0.00 O ATOM 1007 CB GLU A 66 0.860 -15.676 -5.309 1.00 0.00 C ATOM 1008 CG GLU A 66 1.691 -16.950 -5.492 1.00 0.00 C ATOM 1009 CD GLU A 66 0.873 -18.160 -5.041 1.00 0.00 C ATOM 1010 OE1 GLU A 66 0.155 -18.705 -5.865 1.00 0.00 O ATOM 1011 OE2 GLU A 66 0.977 -18.523 -3.881 1.00 0.00 O ATOM 0 H GLU A 66 1.686 -13.930 -7.564 1.00 0.00 H new ATOM 0 HA GLU A 66 1.207 -13.511 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.410 -15.666 -4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.043 -15.659 -6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.980 -17.062 -6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.612 -16.883 -4.912 1.00 0.00 H new ATOM 1018 N PRO A 67 3.834 -13.556 -4.696 1.00 0.00 N ATOM 1019 CA PRO A 67 5.008 -13.467 -3.799 1.00 0.00 C ATOM 1020 C PRO A 67 4.655 -12.710 -2.512 1.00 0.00 C ATOM 1021 O PRO A 67 5.514 -12.147 -1.862 1.00 0.00 O ATOM 1022 CB PRO A 67 6.018 -12.672 -4.618 1.00 0.00 C ATOM 1023 CG PRO A 67 5.203 -11.858 -5.579 1.00 0.00 C ATOM 1024 CD PRO A 67 3.867 -12.540 -5.752 1.00 0.00 C ATOM 0 HA PRO A 67 5.377 -14.444 -3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.625 -12.032 -3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.703 -13.335 -5.147 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.067 -10.845 -5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.715 -11.774 -6.538 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.044 -11.833 -5.648 1.00 0.00 H new ATOM 0 HD3 PRO A 67 3.777 -12.991 -6.740 1.00 0.00 H new ATOM 1032 N SER A 68 3.400 -12.671 -2.143 1.00 0.00 N ATOM 1033 CA SER A 68 3.019 -11.924 -0.904 1.00 0.00 C ATOM 1034 C SER A 68 3.294 -12.740 0.363 1.00 0.00 C ATOM 1035 O SER A 68 2.787 -12.428 1.420 1.00 0.00 O ATOM 1036 CB SER A 68 1.526 -11.653 -1.033 1.00 0.00 C ATOM 1037 OG SER A 68 0.803 -12.823 -0.676 1.00 0.00 O ATOM 0 H SER A 68 2.629 -13.119 -2.639 1.00 0.00 H new ATOM 0 HA SER A 68 3.604 -11.009 -0.812 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.238 -10.823 -0.388 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.285 -11.360 -2.055 1.00 0.00 H new ATOM 0 HG SER A 68 1.382 -13.608 -0.772 1.00 0.00 H new ATOM 1043 N TYR A 69 4.098 -13.760 0.273 1.00 0.00 N ATOM 1044 CA TYR A 69 4.424 -14.588 1.477 1.00 0.00 C ATOM 1045 C TYR A 69 3.164 -14.956 2.275 1.00 0.00 C ATOM 1046 O TYR A 69 2.077 -14.449 2.042 1.00 0.00 O ATOM 1047 CB TYR A 69 5.376 -13.752 2.362 1.00 0.00 C ATOM 1048 CG TYR A 69 5.704 -12.407 1.733 1.00 0.00 C ATOM 1049 CD1 TYR A 69 6.775 -12.297 0.841 1.00 0.00 C ATOM 1050 CD2 TYR A 69 4.942 -11.272 2.048 1.00 0.00 C ATOM 1051 CE1 TYR A 69 7.081 -11.059 0.265 1.00 0.00 C ATOM 1052 CE2 TYR A 69 5.246 -10.038 1.473 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.318 -9.929 0.582 1.00 0.00 C ATOM 1054 OH TYR A 69 6.622 -8.710 0.012 1.00 0.00 O ATOM 0 H TYR A 69 4.550 -14.063 -0.590 1.00 0.00 H new ATOM 0 HA TYR A 69 4.886 -15.524 1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.918 -13.594 3.338 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.298 -14.309 2.529 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.366 -13.167 0.597 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.116 -11.354 2.739 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.907 -10.975 -0.425 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.654 -9.168 1.716 1.00 0.00 H new ATOM 0 HH TYR A 69 7.558 -8.486 0.198 1.00 0.00 H new ATOM 1064 N PRO A 70 3.366 -15.835 3.215 1.00 0.00 N ATOM 1065 CA PRO A 70 2.257 -16.285 4.079 1.00 0.00 C ATOM 1066 C PRO A 70 1.849 -15.155 5.022 1.00 0.00 C ATOM 1067 O PRO A 70 0.896 -15.270 5.765 1.00 0.00 O ATOM 1068 CB PRO A 70 2.852 -17.461 4.849 1.00 0.00 C ATOM 1069 CG PRO A 70 4.327 -17.217 4.842 1.00 0.00 C ATOM 1070 CD PRO A 70 4.637 -16.486 3.561 1.00 0.00 C ATOM 0 HA PRO A 70 1.360 -16.567 3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.463 -17.505 5.866 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.606 -18.410 4.373 1.00 0.00 H new ATOM 0 HG2 PRO A 70 4.626 -16.626 5.707 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.875 -18.158 4.894 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.436 -15.757 3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.962 -17.171 2.778 1.00 0.00 H new ATOM 1078 N VAL A 71 2.559 -14.054 4.993 1.00 0.00 N ATOM 1079 CA VAL A 71 2.184 -12.927 5.889 1.00 0.00 C ATOM 1080 C VAL A 71 1.167 -12.023 5.189 1.00 0.00 C ATOM 1081 O VAL A 71 0.079 -11.846 5.691 1.00 0.00 O ATOM 1082 CB VAL A 71 3.477 -12.190 6.256 1.00 0.00 C ATOM 1083 CG1 VAL A 71 4.411 -13.150 6.994 1.00 0.00 C ATOM 1084 CG2 VAL A 71 4.173 -11.675 5.001 1.00 0.00 C ATOM 0 H VAL A 71 3.370 -13.892 4.396 1.00 0.00 H new ATOM 0 HA VAL A 71 1.704 -13.277 6.803 1.00 0.00 H new ATOM 0 HB VAL A 71 3.231 -11.342 6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.332 -12.631 7.257 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.923 -13.507 7.901 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.644 -13.998 6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.089 -11.154 5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.417 -12.514 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.511 -10.987 4.474 1.00 0.00 H new ATOM 1094 N ALA A 72 1.462 -11.489 4.019 1.00 0.00 N ATOM 1095 CA ALA A 72 0.422 -10.667 3.319 1.00 0.00 C ATOM 1096 C ALA A 72 -0.885 -11.432 3.424 1.00 0.00 C ATOM 1097 O ALA A 72 -1.948 -10.876 3.606 1.00 0.00 O ATOM 1098 CB ALA A 72 0.877 -10.612 1.875 1.00 0.00 C ATOM 0 H ALA A 72 2.354 -11.585 3.533 1.00 0.00 H new ATOM 0 HA ALA A 72 0.291 -9.666 3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.167 -10.026 1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.862 -10.147 1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.930 -11.623 1.472 1.00 0.00 H new ATOM 1104 N ASP A 73 -0.781 -12.731 3.362 1.00 0.00 N ATOM 1105 CA ASP A 73 -1.982 -13.584 3.517 1.00 0.00 C ATOM 1106 C ASP A 73 -2.588 -13.311 4.888 1.00 0.00 C ATOM 1107 O ASP A 73 -3.759 -13.023 5.033 1.00 0.00 O ATOM 1108 CB ASP A 73 -1.436 -14.995 3.485 1.00 0.00 C ATOM 1109 CG ASP A 73 -1.409 -15.511 2.046 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -1.904 -14.811 1.178 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -0.892 -16.596 1.836 1.00 0.00 O ATOM 0 H ASP A 73 0.092 -13.237 3.210 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.743 -13.410 2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.431 -15.015 3.906 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.053 -15.647 4.103 1.00 0.00 H new ATOM 1116 N ILE A 74 -1.762 -13.397 5.892 1.00 0.00 N ATOM 1117 CA ILE A 74 -2.224 -13.141 7.284 1.00 0.00 C ATOM 1118 C ILE A 74 -2.597 -11.670 7.431 1.00 0.00 C ATOM 1119 O ILE A 74 -3.629 -11.325 7.972 1.00 0.00 O ATOM 1120 CB ILE A 74 -1.021 -13.469 8.171 1.00 0.00 C ATOM 1121 CG1 ILE A 74 -0.864 -14.989 8.281 1.00 0.00 C ATOM 1122 CG2 ILE A 74 -1.242 -12.877 9.565 1.00 0.00 C ATOM 1123 CD1 ILE A 74 0.544 -15.323 8.777 1.00 0.00 C ATOM 0 H ILE A 74 -0.774 -13.637 5.806 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.098 -13.735 7.550 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.119 -13.043 7.732 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.608 -15.393 8.967 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.039 -15.454 7.311 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.386 -13.109 10.199 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.353 -11.795 9.488 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.144 -13.304 10.003 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.655 -16.404 8.855 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.280 -14.932 8.074 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.702 -14.870 9.756 1.00 0.00 H new ATOM 1135 N LEU A 75 -1.760 -10.801 6.937 1.00 0.00 N ATOM 1136 CA LEU A 75 -2.052 -9.349 7.025 1.00 0.00 C ATOM 1137 C LEU A 75 -3.491 -9.095 6.574 1.00 0.00 C ATOM 1138 O LEU A 75 -4.107 -8.113 6.936 1.00 0.00 O ATOM 1139 CB LEU A 75 -1.053 -8.703 6.063 1.00 0.00 C ATOM 1140 CG LEU A 75 -0.743 -7.282 6.525 1.00 0.00 C ATOM 1141 CD1 LEU A 75 0.308 -7.329 7.637 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -0.202 -6.474 5.345 1.00 0.00 C ATOM 0 H LEU A 75 -0.883 -11.038 6.474 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.958 -8.948 8.034 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.137 -9.292 6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.463 -8.687 5.053 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.651 -6.812 6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.532 -6.315 7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.076 -7.910 8.476 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.217 -7.796 7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.021 -5.458 5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.708 -6.942 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.949 -6.445 4.551 1.00 0.00 H new ATOM 1154 N ALA A 76 -4.024 -9.984 5.784 1.00 0.00 N ATOM 1155 CA ALA A 76 -5.413 -9.825 5.296 1.00 0.00 C ATOM 1156 C ALA A 76 -6.393 -10.536 6.234 1.00 0.00 C ATOM 1157 O ALA A 76 -7.525 -10.123 6.392 1.00 0.00 O ATOM 1158 CB ALA A 76 -5.410 -10.495 3.920 1.00 0.00 C ATOM 0 H ALA A 76 -3.547 -10.823 5.454 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.723 -8.781 5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.405 -10.426 3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.690 -9.994 3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.133 -11.544 4.027 1.00 0.00 H new ATOM 1164 N GLU A 77 -5.972 -11.607 6.850 1.00 0.00 N ATOM 1165 CA GLU A 77 -6.883 -12.345 7.767 1.00 0.00 C ATOM 1166 C GLU A 77 -7.235 -11.480 8.980 1.00 0.00 C ATOM 1167 O GLU A 77 -8.355 -11.485 9.452 1.00 0.00 O ATOM 1168 CB GLU A 77 -6.103 -13.591 8.192 1.00 0.00 C ATOM 1169 CG GLU A 77 -5.710 -14.396 6.950 1.00 0.00 C ATOM 1170 CD GLU A 77 -6.413 -15.755 6.976 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -7.575 -15.791 7.345 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -5.778 -16.736 6.625 1.00 0.00 O ATOM 0 H GLU A 77 -5.036 -12.002 6.757 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.826 -12.606 7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.211 -13.303 8.749 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.710 -14.204 8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.986 -13.850 6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.629 -14.535 6.921 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.291 -10.732 9.489 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.583 -9.870 10.664 1.00 0.00 C ATOM 1181 C ARG A 78 -6.606 -8.396 10.249 1.00 0.00 C ATOM 1182 O ARG A 78 -7.316 -7.596 10.823 1.00 0.00 O ATOM 1183 CB ARG A 78 -5.453 -10.137 11.663 1.00 0.00 C ATOM 1184 CG ARG A 78 -4.098 -9.953 10.980 1.00 0.00 C ATOM 1185 CD ARG A 78 -3.240 -8.988 11.801 1.00 0.00 C ATOM 1186 NE ARG A 78 -2.408 -9.867 12.670 1.00 0.00 N ATOM 1187 CZ ARG A 78 -2.370 -9.667 13.959 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -2.417 -8.452 14.435 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -2.283 -10.683 14.775 1.00 0.00 N ATOM 0 H ARG A 78 -5.334 -10.683 9.140 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.558 -10.091 11.098 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.538 -9.457 12.511 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.536 -11.150 12.057 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.593 -10.914 10.885 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.237 -9.565 9.971 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.619 -8.365 11.158 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.859 -8.315 12.395 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.867 -10.627 12.257 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.484 -7.657 13.799 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.387 -8.298 15.443 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.245 -11.633 14.405 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.253 -10.527 15.783 1.00 0.00 H new ATOM 1203 N ASN A 79 -5.850 -8.039 9.245 1.00 0.00 N ATOM 1204 CA ASN A 79 -5.829 -6.630 8.774 1.00 0.00 C ATOM 1205 C ASN A 79 -5.484 -5.657 9.916 1.00 0.00 C ATOM 1206 O ASN A 79 -5.920 -5.802 11.040 1.00 0.00 O ATOM 1207 CB ASN A 79 -7.238 -6.380 8.257 1.00 0.00 C ATOM 1208 CG ASN A 79 -7.649 -7.497 7.296 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -8.398 -8.382 7.661 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -7.194 -7.488 6.074 1.00 0.00 N ATOM 0 H ASN A 79 -5.241 -8.673 8.728 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.068 -6.469 8.010 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.937 -6.332 9.092 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.282 -5.417 7.748 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.467 -8.224 5.423 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.566 -6.745 5.769 1.00 0.00 H new ATOM 1217 N VAL A 80 -4.699 -4.662 9.616 1.00 0.00 N ATOM 1218 CA VAL A 80 -4.298 -3.648 10.640 1.00 0.00 C ATOM 1219 C VAL A 80 -4.372 -2.259 9.970 1.00 0.00 C ATOM 1220 O VAL A 80 -4.749 -2.184 8.823 1.00 0.00 O ATOM 1221 CB VAL A 80 -2.862 -4.080 11.012 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -1.811 -3.162 10.370 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -2.698 -4.079 12.536 1.00 0.00 C ATOM 0 H VAL A 80 -4.309 -4.502 8.687 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.921 -3.589 11.532 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.703 -5.087 10.627 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.813 -3.497 10.654 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.911 -3.198 9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.962 -2.139 10.715 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.684 -4.384 12.793 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.884 -3.076 12.921 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.410 -4.776 12.979 1.00 0.00 H new ATOM 1233 N PRO A 81 -4.005 -1.199 10.656 1.00 0.00 N ATOM 1234 CA PRO A 81 -4.042 0.133 9.997 1.00 0.00 C ATOM 1235 C PRO A 81 -3.045 0.120 8.844 1.00 0.00 C ATOM 1236 O PRO A 81 -1.857 -0.025 9.049 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.641 1.099 11.099 1.00 0.00 C ATOM 1238 CG PRO A 81 -2.880 0.260 12.071 1.00 0.00 C ATOM 1239 CD PRO A 81 -3.526 -1.103 12.038 1.00 0.00 C ATOM 0 HA PRO A 81 -5.008 0.408 9.575 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.028 1.912 10.711 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.515 1.554 11.566 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -1.827 0.200 11.794 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.922 0.688 13.073 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.815 -1.894 12.276 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.342 -1.182 12.756 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.526 0.225 7.634 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.616 0.152 6.456 1.00 0.00 C ATOM 1249 C PHE A 82 -3.412 0.151 5.143 1.00 0.00 C ATOM 1250 O PHE A 82 -4.397 0.845 4.985 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.925 -1.215 6.615 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.923 -2.357 6.400 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.316 -2.125 6.353 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.445 -3.666 6.254 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.205 -3.189 6.165 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.343 -4.729 6.065 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.719 -4.489 6.022 1.00 0.00 C ATOM 0 H PHE A 82 -4.512 0.358 7.411 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.930 0.998 6.417 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.108 -1.300 5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.486 -1.292 7.610 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.697 -1.120 6.463 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.383 -3.858 6.287 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.268 -3.004 6.131 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.969 -5.736 5.952 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.406 -5.310 5.878 1.00 0.00 H new ATOM 1267 N ILE A 83 -2.993 -0.683 4.227 1.00 0.00 N ATOM 1268 CA ILE A 83 -3.688 -0.834 2.930 1.00 0.00 C ATOM 1269 C ILE A 83 -3.090 -2.055 2.242 1.00 0.00 C ATOM 1270 O ILE A 83 -2.030 -2.502 2.618 1.00 0.00 O ATOM 1271 CB ILE A 83 -3.422 0.471 2.183 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -4.754 1.164 1.898 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -2.692 0.217 0.853 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -4.552 2.681 1.894 1.00 0.00 C ATOM 0 H ILE A 83 -2.173 -1.280 4.335 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.764 -0.995 2.996 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.787 1.100 2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.147 0.837 0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.489 0.887 2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.518 1.166 0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.737 -0.270 1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.303 -0.426 0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.503 3.174 1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.178 3.001 2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.831 2.950 1.122 1.00 0.00 H new ATOM 1286 N PHE A 84 -3.750 -2.616 1.271 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.177 -3.826 0.618 1.00 0.00 C ATOM 1288 C PHE A 84 -3.732 -4.016 -0.794 1.00 0.00 C ATOM 1289 O PHE A 84 -4.708 -3.407 -1.207 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.610 -4.981 1.529 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.924 -6.275 1.117 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -1.576 -6.274 0.751 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -3.648 -7.480 1.065 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -0.971 -7.456 0.333 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -3.019 -8.662 0.652 1.00 0.00 C ATOM 1296 CZ PHE A 84 -1.679 -8.641 0.280 1.00 0.00 C ATOM 0 H PHE A 84 -4.647 -2.297 0.904 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.095 -3.758 0.504 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.364 -4.746 2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.692 -5.105 1.479 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.005 -5.359 0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.691 -7.494 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.070 -7.446 0.045 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.574 -9.588 0.623 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.194 -9.548 -0.049 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.113 -4.872 -1.539 1.00 0.00 N ATOM 1307 CA ALA A 85 -3.588 -5.137 -2.907 1.00 0.00 C ATOM 1308 C ALA A 85 -3.249 -6.568 -3.274 1.00 0.00 C ATOM 1309 O ALA A 85 -2.210 -7.055 -2.899 1.00 0.00 O ATOM 1310 CB ALA A 85 -2.812 -4.185 -3.792 1.00 0.00 C ATOM 0 H ALA A 85 -2.290 -5.404 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.664 -5.000 -3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.114 -4.325 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.018 -3.158 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.745 -4.385 -3.694 1.00 0.00 H new ATOM 1316 N THR A 86 -4.089 -7.230 -4.017 1.00 0.00 N ATOM 1317 CA THR A 86 -3.774 -8.642 -4.413 1.00 0.00 C ATOM 1318 C THR A 86 -4.689 -9.094 -5.548 1.00 0.00 C ATOM 1319 O THR A 86 -5.558 -8.371 -5.981 1.00 0.00 O ATOM 1320 CB THR A 86 -4.046 -9.518 -3.193 1.00 0.00 C ATOM 1321 OG1 THR A 86 -5.387 -9.326 -2.777 1.00 0.00 O ATOM 1322 CG2 THR A 86 -3.095 -9.179 -2.054 1.00 0.00 C ATOM 0 H THR A 86 -4.974 -6.864 -4.368 1.00 0.00 H new ATOM 0 HA THR A 86 -2.739 -8.717 -4.748 1.00 0.00 H new ATOM 0 HB THR A 86 -3.886 -10.561 -3.465 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.770 -10.185 -2.500 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.311 -9.818 -1.198 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.067 -9.341 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.225 -8.135 -1.770 1.00 0.00 H new ATOM 1330 N GLY A 87 -4.504 -10.296 -6.021 1.00 0.00 N ATOM 1331 CA GLY A 87 -5.364 -10.807 -7.123 1.00 0.00 C ATOM 1332 C GLY A 87 -6.842 -10.708 -6.735 1.00 0.00 C ATOM 1333 O GLY A 87 -7.692 -10.491 -7.578 1.00 0.00 O ATOM 0 H GLY A 87 -3.792 -10.947 -5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.181 -10.234 -8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.108 -11.843 -7.343 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.173 -10.868 -5.478 1.00 0.00 N ATOM 1338 CA TYR A 88 -8.613 -10.780 -5.094 1.00 0.00 C ATOM 1339 C TYR A 88 -8.973 -9.361 -4.643 1.00 0.00 C ATOM 1340 O TYR A 88 -10.120 -9.063 -4.378 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.835 -11.793 -3.960 1.00 0.00 C ATOM 1342 CG TYR A 88 -7.767 -11.682 -2.893 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -7.733 -10.576 -2.034 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -6.826 -12.709 -2.746 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -6.753 -10.498 -1.033 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -5.851 -12.630 -1.745 1.00 0.00 C ATOM 1347 CZ TYR A 88 -5.814 -11.524 -0.890 1.00 0.00 C ATOM 1348 OH TYR A 88 -4.855 -11.447 0.098 1.00 0.00 O ATOM 0 H TYR A 88 -6.522 -11.052 -4.715 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.255 -11.008 -5.945 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.815 -11.629 -3.512 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.837 -12.803 -4.370 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.460 -9.785 -2.142 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.853 -13.563 -3.406 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.724 -9.644 -0.372 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.127 -13.423 -1.633 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.612 -12.351 0.389 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.012 -8.481 -4.564 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.321 -7.088 -4.140 1.00 0.00 C ATOM 1360 C GLY A 89 -8.637 -7.070 -2.645 1.00 0.00 C ATOM 1361 O GLY A 89 -9.742 -6.771 -2.237 1.00 0.00 O ATOM 0 H GLY A 89 -7.031 -8.666 -4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.474 -6.436 -4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.169 -6.703 -4.707 1.00 0.00 H new ATOM 1365 N SER A 90 -7.671 -7.391 -1.828 1.00 0.00 N ATOM 1366 CA SER A 90 -7.892 -7.399 -0.353 1.00 0.00 C ATOM 1367 C SER A 90 -8.950 -8.432 0.041 1.00 0.00 C ATOM 1368 O SER A 90 -8.612 -9.525 0.422 1.00 0.00 O ATOM 1369 CB SER A 90 -8.361 -5.989 -0.002 1.00 0.00 C ATOM 1370 OG SER A 90 -9.321 -6.070 1.039 1.00 0.00 O ATOM 0 H SER A 90 -6.729 -7.650 -2.122 1.00 0.00 H new ATOM 0 HA SER A 90 -6.983 -7.670 0.183 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.515 -5.378 0.312 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.795 -5.507 -0.878 1.00 0.00 H new ATOM 0 HG SER A 90 -10.164 -5.672 0.738 1.00 0.00 H new ATOM 1376 N LYS A 91 -10.212 -8.053 -0.045 1.00 0.00 N ATOM 1377 CA LYS A 91 -11.391 -8.932 0.326 1.00 0.00 C ATOM 1378 C LYS A 91 -12.232 -8.187 1.358 1.00 0.00 C ATOM 1379 O LYS A 91 -12.760 -8.771 2.282 1.00 0.00 O ATOM 1380 CB LYS A 91 -10.879 -10.238 0.958 1.00 0.00 C ATOM 1381 CG LYS A 91 -10.182 -9.930 2.290 1.00 0.00 C ATOM 1382 CD LYS A 91 -10.938 -10.586 3.446 1.00 0.00 C ATOM 1383 CE LYS A 91 -10.019 -10.659 4.668 1.00 0.00 C ATOM 1384 NZ LYS A 91 -10.892 -11.124 5.781 1.00 0.00 N ATOM 0 H LYS A 91 -10.488 -7.127 -0.372 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.980 -9.163 -0.562 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.710 -10.924 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.185 -10.734 0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.155 -10.295 2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.134 -8.852 2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.834 -10.012 3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.266 -11.586 3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.193 -11.350 4.500 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.581 -9.686 4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.332 -11.199 6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.665 -10.443 5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.290 -12.055 5.544 1.00 0.00 H new ATOM 1398 N GLY A 92 -12.331 -6.893 1.230 1.00 0.00 N ATOM 1399 CA GLY A 92 -13.106 -6.110 2.229 1.00 0.00 C ATOM 1400 C GLY A 92 -12.239 -5.961 3.478 1.00 0.00 C ATOM 1401 O GLY A 92 -12.726 -5.744 4.571 1.00 0.00 O ATOM 0 H GLY A 92 -11.910 -6.346 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.369 -5.131 1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.040 -6.617 2.470 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.948 -6.092 3.312 1.00 0.00 N ATOM 1406 CA LEU A 93 -10.011 -5.978 4.465 1.00 0.00 C ATOM 1407 C LEU A 93 -10.468 -4.884 5.437 1.00 0.00 C ATOM 1408 O LEU A 93 -11.159 -3.956 5.069 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.637 -5.690 3.834 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.467 -4.214 3.418 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -9.676 -3.697 2.630 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.272 -3.356 4.659 1.00 0.00 C ATOM 0 H LEU A 93 -10.500 -6.275 2.414 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.973 -6.884 5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.854 -5.955 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.503 -6.327 2.960 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.593 -4.151 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.514 -2.654 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.803 -4.293 1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.572 -3.776 3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.152 -2.313 4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.142 -3.452 5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.382 -3.687 5.194 1.00 0.00 H new ATOM 1424 N ASP A 94 -10.107 -5.008 6.689 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.540 -3.996 7.700 1.00 0.00 C ATOM 1426 C ASP A 94 -9.349 -3.170 8.191 1.00 0.00 C ATOM 1427 O ASP A 94 -8.249 -3.668 8.323 1.00 0.00 O ATOM 1428 CB ASP A 94 -11.152 -4.809 8.844 1.00 0.00 C ATOM 1429 CG ASP A 94 -10.093 -5.731 9.443 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -9.331 -5.265 10.274 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -10.059 -6.890 9.061 1.00 0.00 O ATOM 0 H ASP A 94 -9.531 -5.766 7.055 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.252 -3.284 7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.541 -4.140 9.611 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.993 -5.396 8.476 1.00 0.00 H new ATOM 1436 N THR A 95 -9.565 -1.913 8.468 1.00 0.00 N ATOM 1437 CA THR A 95 -8.451 -1.051 8.955 1.00 0.00 C ATOM 1438 C THR A 95 -8.970 0.363 9.224 1.00 0.00 C ATOM 1439 O THR A 95 -10.098 0.688 8.912 1.00 0.00 O ATOM 1440 CB THR A 95 -7.440 -1.044 7.810 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.300 -0.293 8.184 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.080 -0.427 6.572 1.00 0.00 C ATOM 0 H THR A 95 -10.467 -1.445 8.378 1.00 0.00 H new ATOM 0 HA THR A 95 -8.012 -1.413 9.885 1.00 0.00 H new ATOM 0 HB THR A 95 -7.136 -2.067 7.588 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.539 -0.897 8.314 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.359 -0.421 5.754 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.952 -1.013 6.283 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.387 0.596 6.792 1.00 0.00 H new ATOM 1450 N ARG A 96 -8.159 1.212 9.791 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.622 2.601 10.060 1.00 0.00 C ATOM 1452 C ARG A 96 -8.617 3.405 8.757 1.00 0.00 C ATOM 1453 O ARG A 96 -8.935 4.578 8.738 1.00 0.00 O ATOM 1454 CB ARG A 96 -7.610 3.179 11.053 1.00 0.00 C ATOM 1455 CG ARG A 96 -7.858 2.585 12.443 1.00 0.00 C ATOM 1456 CD ARG A 96 -8.600 3.605 13.313 1.00 0.00 C ATOM 1457 NE ARG A 96 -7.713 3.831 14.487 1.00 0.00 N ATOM 1458 CZ ARG A 96 -6.756 4.717 14.424 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -7.045 5.989 14.386 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -5.510 4.331 14.400 1.00 0.00 N ATOM 0 H ARG A 96 -7.202 1.006 10.078 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.636 2.633 10.458 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.595 2.954 10.726 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.700 4.265 11.089 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.443 1.669 12.359 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.910 2.316 12.909 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.777 4.532 12.769 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.574 3.225 13.622 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.853 3.293 15.342 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.019 6.292 14.406 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.297 6.681 14.337 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.283 3.337 14.430 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.762 5.023 14.351 1.00 0.00 H new ATOM 1474 N TYR A 97 -8.248 2.784 7.664 1.00 0.00 N ATOM 1475 CA TYR A 97 -8.213 3.527 6.369 1.00 0.00 C ATOM 1476 C TYR A 97 -9.565 3.439 5.639 1.00 0.00 C ATOM 1477 O TYR A 97 -10.112 4.453 5.258 1.00 0.00 O ATOM 1478 CB TYR A 97 -7.115 2.848 5.563 1.00 0.00 C ATOM 1479 CG TYR A 97 -5.766 3.214 6.124 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -5.341 2.680 7.345 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -4.935 4.087 5.413 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.085 3.022 7.856 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -3.679 4.430 5.923 1.00 0.00 C ATOM 1484 CZ TYR A 97 -3.254 3.897 7.145 1.00 0.00 C ATOM 1485 OH TYR A 97 -2.018 4.239 7.654 1.00 0.00 O ATOM 0 H TYR A 97 -7.972 1.803 7.613 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.021 4.590 6.514 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.248 1.767 5.590 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.178 3.151 4.518 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -5.982 2.005 7.892 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -5.264 4.496 4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -3.756 2.611 8.799 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.038 5.105 5.375 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.462 3.436 7.730 1.00 0.00 H new ATOM 1495 N SER A 98 -10.085 2.230 5.449 1.00 0.00 N ATOM 1496 CA SER A 98 -11.407 1.994 4.755 1.00 0.00 C ATOM 1497 C SER A 98 -11.197 1.501 3.322 1.00 0.00 C ATOM 1498 O SER A 98 -11.618 2.148 2.387 1.00 0.00 O ATOM 1499 CB SER A 98 -12.172 3.320 4.741 1.00 0.00 C ATOM 1500 OG SER A 98 -13.560 3.062 4.578 1.00 0.00 O ATOM 0 H SER A 98 -9.628 1.373 5.759 1.00 0.00 H new ATOM 0 HA SER A 98 -11.968 1.227 5.288 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.998 3.863 5.670 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.811 3.953 3.930 1.00 0.00 H new ATOM 0 HG SER A 98 -14.052 3.910 4.570 1.00 0.00 H new ATOM 1506 N ASN A 99 -10.566 0.356 3.146 1.00 0.00 N ATOM 1507 CA ASN A 99 -10.337 -0.199 1.765 1.00 0.00 C ATOM 1508 C ASN A 99 -9.466 0.752 0.944 1.00 0.00 C ATOM 1509 O ASN A 99 -8.412 0.389 0.460 1.00 0.00 O ATOM 1510 CB ASN A 99 -11.732 -0.329 1.164 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.372 -1.610 1.683 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -12.774 -2.463 0.917 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -12.477 -1.780 2.969 1.00 0.00 N ATOM 0 H ASN A 99 -10.198 -0.220 3.903 1.00 0.00 H new ATOM 0 HA ASN A 99 -9.812 -1.154 1.780 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.341 0.534 1.434 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.674 -0.350 0.076 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.898 -2.632 3.338 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -12.138 -1.061 3.608 1.00 0.00 H new ATOM 1520 N ILE A 100 -9.889 1.970 0.815 1.00 0.00 N ATOM 1521 CA ILE A 100 -9.084 2.982 0.076 1.00 0.00 C ATOM 1522 C ILE A 100 -8.657 2.410 -1.308 1.00 0.00 C ATOM 1523 O ILE A 100 -9.503 1.848 -1.975 1.00 0.00 O ATOM 1524 CB ILE A 100 -7.927 3.331 1.042 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -8.294 2.995 2.492 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -7.652 4.834 0.984 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -7.662 1.651 2.870 1.00 0.00 C ATOM 0 H ILE A 100 -10.770 2.317 1.194 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.620 3.896 -0.182 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.056 2.751 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.939 3.779 3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.377 2.946 2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.837 5.081 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.374 5.114 -0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.549 5.380 1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.919 1.405 3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.039 0.872 2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.578 1.718 2.772 1.00 0.00 H new ATOM 1539 N PRO A 101 -7.413 2.575 -1.768 1.00 0.00 N ATOM 1540 CA PRO A 101 -7.082 2.057 -3.114 1.00 0.00 C ATOM 1541 C PRO A 101 -6.715 0.576 -3.102 1.00 0.00 C ATOM 1542 O PRO A 101 -5.555 0.214 -3.118 1.00 0.00 O ATOM 1543 CB PRO A 101 -5.878 2.880 -3.538 1.00 0.00 C ATOM 1544 CG PRO A 101 -5.224 3.323 -2.269 1.00 0.00 C ATOM 1545 CD PRO A 101 -6.236 3.214 -1.154 1.00 0.00 C ATOM 0 HA PRO A 101 -7.935 2.140 -3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.193 2.288 -4.145 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.181 3.735 -4.142 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.353 2.704 -2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.870 4.350 -2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.850 2.618 -0.327 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.485 4.195 -0.750 1.00 0.00 H new ATOM 1553 N LEU A 102 -7.688 -0.282 -3.128 1.00 0.00 N ATOM 1554 CA LEU A 102 -7.380 -1.736 -3.176 1.00 0.00 C ATOM 1555 C LEU A 102 -6.750 -2.023 -4.543 1.00 0.00 C ATOM 1556 O LEU A 102 -7.302 -1.659 -5.561 1.00 0.00 O ATOM 1557 CB LEU A 102 -8.738 -2.432 -3.032 1.00 0.00 C ATOM 1558 CG LEU A 102 -9.515 -2.380 -4.361 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -10.862 -3.072 -4.182 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -9.769 -0.927 -4.783 1.00 0.00 C ATOM 0 H LEU A 102 -8.680 -0.044 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.691 -2.076 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.591 -3.469 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.319 -1.950 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.923 -2.880 -5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.416 -3.038 -5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.702 -4.111 -3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.432 -2.563 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.319 -0.912 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.353 -0.421 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.816 -0.414 -4.912 1.00 0.00 H new ATOM 1572 N LEU A 103 -5.579 -2.602 -4.611 1.00 0.00 N ATOM 1573 CA LEU A 103 -4.992 -2.772 -5.976 1.00 0.00 C ATOM 1574 C LEU A 103 -4.877 -4.216 -6.465 1.00 0.00 C ATOM 1575 O LEU A 103 -4.597 -5.147 -5.736 1.00 0.00 O ATOM 1576 CB LEU A 103 -3.616 -2.112 -5.922 1.00 0.00 C ATOM 1577 CG LEU A 103 -3.189 -1.714 -7.333 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -4.056 -0.556 -7.826 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -1.724 -1.279 -7.305 1.00 0.00 C ATOM 0 H LEU A 103 -5.027 -2.949 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 103 -5.665 -2.313 -6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.647 -1.233 -5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.888 -2.798 -5.490 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.310 -2.563 -8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.749 -0.274 -8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.102 -0.864 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.937 0.297 -7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.410 -0.993 -8.309 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.610 -0.429 -6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.106 -2.105 -6.953 1.00 0.00 H new ATOM 1591 N THR A 104 -5.082 -4.348 -7.746 1.00 0.00 N ATOM 1592 CA THR A 104 -4.994 -5.651 -8.457 1.00 0.00 C ATOM 1593 C THR A 104 -5.314 -5.416 -9.945 1.00 0.00 C ATOM 1594 O THR A 104 -5.833 -6.278 -10.625 1.00 0.00 O ATOM 1595 CB THR A 104 -6.047 -6.548 -7.810 1.00 0.00 C ATOM 1596 OG1 THR A 104 -5.820 -7.892 -8.207 1.00 0.00 O ATOM 1597 CG2 THR A 104 -7.443 -6.115 -8.254 1.00 0.00 C ATOM 0 H THR A 104 -5.318 -3.565 -8.356 1.00 0.00 H new ATOM 0 HA THR A 104 -4.006 -6.107 -8.391 1.00 0.00 H new ATOM 0 HB THR A 104 -5.977 -6.465 -6.725 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.937 -8.485 -7.436 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.189 -6.759 -7.789 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.617 -5.082 -7.952 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.521 -6.194 -9.338 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.009 -4.237 -10.447 1.00 0.00 N ATOM 1606 CA LYS A 105 -5.292 -3.904 -11.879 1.00 0.00 C ATOM 1607 C LYS A 105 -4.127 -3.066 -12.441 1.00 0.00 C ATOM 1608 O LYS A 105 -3.138 -2.870 -11.763 1.00 0.00 O ATOM 1609 CB LYS A 105 -6.589 -3.081 -11.850 1.00 0.00 C ATOM 1610 CG LYS A 105 -7.663 -3.813 -11.045 1.00 0.00 C ATOM 1611 CD LYS A 105 -7.928 -3.058 -9.742 1.00 0.00 C ATOM 1612 CE LYS A 105 -9.301 -3.459 -9.193 1.00 0.00 C ATOM 1613 NZ LYS A 105 -10.291 -2.856 -10.133 1.00 0.00 N ATOM 0 H LYS A 105 -4.571 -3.485 -9.915 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.396 -4.788 -12.509 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.397 -2.103 -11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.941 -2.908 -12.867 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.581 -3.888 -11.628 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.339 -4.831 -10.828 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.151 -3.286 -9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.894 -1.983 -9.918 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.407 -4.543 -9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.444 -3.086 -8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.104 -2.493 -9.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.844 -2.075 -10.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.616 -3.579 -10.806 1.00 0.00 H new ATOM 1627 N PRO A 106 -4.264 -2.605 -13.663 1.00 0.00 N ATOM 1628 CA PRO A 106 -3.188 -1.804 -14.287 1.00 0.00 C ATOM 1629 C PRO A 106 -3.263 -0.324 -13.872 1.00 0.00 C ATOM 1630 O PRO A 106 -2.960 0.562 -14.646 1.00 0.00 O ATOM 1631 CB PRO A 106 -3.442 -1.978 -15.780 1.00 0.00 C ATOM 1632 CG PRO A 106 -4.899 -2.310 -15.913 1.00 0.00 C ATOM 1633 CD PRO A 106 -5.405 -2.776 -14.567 1.00 0.00 C ATOM 0 HA PRO A 106 -2.192 -2.127 -13.983 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -3.197 -1.067 -16.327 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.821 -2.773 -16.192 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.458 -1.436 -16.247 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -5.044 -3.087 -16.663 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -6.262 -2.187 -14.240 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -5.729 -3.816 -14.604 1.00 0.00 H new ATOM 1641 N PHE A 107 -3.633 -0.054 -12.646 1.00 0.00 N ATOM 1642 CA PHE A 107 -3.694 1.363 -12.162 1.00 0.00 C ATOM 1643 C PHE A 107 -4.857 2.138 -12.796 1.00 0.00 C ATOM 1644 O PHE A 107 -4.937 2.288 -13.999 1.00 0.00 O ATOM 1645 CB PHE A 107 -2.358 1.985 -12.576 1.00 0.00 C ATOM 1646 CG PHE A 107 -2.045 3.150 -11.669 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -2.096 2.989 -10.280 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -1.705 4.392 -12.218 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -1.807 4.070 -9.439 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -1.417 5.474 -11.377 1.00 0.00 C ATOM 1651 CZ PHE A 107 -1.468 5.313 -9.988 1.00 0.00 C ATOM 0 H PHE A 107 -3.897 -0.756 -11.955 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.860 1.400 -11.085 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.564 1.241 -12.517 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.406 2.319 -13.612 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.358 2.031 -9.857 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.665 4.516 -13.290 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.845 3.946 -8.367 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.156 6.433 -11.800 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.246 6.147 -9.339 1.00 0.00 H new ATOM 1661 N LEU A 108 -5.740 2.649 -11.973 1.00 0.00 N ATOM 1662 CA LEU A 108 -6.905 3.444 -12.475 1.00 0.00 C ATOM 1663 C LEU A 108 -7.782 3.859 -11.279 1.00 0.00 C ATOM 1664 O LEU A 108 -7.418 4.730 -10.505 1.00 0.00 O ATOM 1665 CB LEU A 108 -7.661 2.507 -13.439 1.00 0.00 C ATOM 1666 CG LEU A 108 -8.743 3.264 -14.244 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -10.131 2.838 -13.766 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -8.601 4.785 -14.082 1.00 0.00 C ATOM 0 H LEU A 108 -5.702 2.547 -10.959 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.609 4.359 -12.988 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.953 2.045 -14.127 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.127 1.701 -12.872 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.613 3.015 -15.297 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.892 3.373 -14.335 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.254 1.765 -13.915 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.239 3.072 -12.707 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.377 5.287 -14.661 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.705 5.050 -13.030 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.621 5.099 -14.440 1.00 0.00 H new ATOM 1680 N ASP A 109 -8.917 3.234 -11.091 1.00 0.00 N ATOM 1681 CA ASP A 109 -9.761 3.599 -9.923 1.00 0.00 C ATOM 1682 C ASP A 109 -8.887 3.581 -8.676 1.00 0.00 C ATOM 1683 O ASP A 109 -9.171 4.226 -7.686 1.00 0.00 O ATOM 1684 CB ASP A 109 -10.839 2.518 -9.848 1.00 0.00 C ATOM 1685 CG ASP A 109 -10.177 1.144 -9.741 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -9.305 0.865 -10.548 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -10.549 0.397 -8.853 1.00 0.00 O ATOM 0 H ASP A 109 -9.289 2.497 -11.690 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.209 4.589 -10.007 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.483 2.691 -8.986 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.473 2.560 -10.733 1.00 0.00 H new ATOM 1692 N SER A 110 -7.812 2.844 -8.731 1.00 0.00 N ATOM 1693 CA SER A 110 -6.895 2.772 -7.569 1.00 0.00 C ATOM 1694 C SER A 110 -6.629 4.170 -7.024 1.00 0.00 C ATOM 1695 O SER A 110 -7.114 4.530 -5.973 1.00 0.00 O ATOM 1696 CB SER A 110 -5.614 2.171 -8.133 1.00 0.00 C ATOM 1697 OG SER A 110 -4.716 1.895 -7.067 1.00 0.00 O ATOM 0 H SER A 110 -7.532 2.287 -9.538 1.00 0.00 H new ATOM 0 HA SER A 110 -7.304 2.183 -6.748 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.839 1.256 -8.681 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.155 2.862 -8.841 1.00 0.00 H new ATOM 0 HG SER A 110 -5.191 1.420 -6.354 1.00 0.00 H new ATOM 1703 N GLU A 111 -5.879 4.969 -7.737 1.00 0.00 N ATOM 1704 CA GLU A 111 -5.596 6.345 -7.251 1.00 0.00 C ATOM 1705 C GLU A 111 -6.910 7.054 -6.923 1.00 0.00 C ATOM 1706 O GLU A 111 -6.979 7.877 -6.031 1.00 0.00 O ATOM 1707 CB GLU A 111 -4.853 7.031 -8.400 1.00 0.00 C ATOM 1708 CG GLU A 111 -5.834 7.440 -9.503 1.00 0.00 C ATOM 1709 CD GLU A 111 -5.183 8.502 -10.392 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -3.989 8.713 -10.252 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -5.890 9.089 -11.195 1.00 0.00 O ATOM 0 H GLU A 111 -5.453 4.726 -8.631 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.999 6.359 -6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.328 7.910 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.099 6.358 -8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.111 6.571 -10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.751 7.831 -9.063 1.00 0.00 H new ATOM 1718 N LEU A 112 -7.961 6.723 -7.622 1.00 0.00 N ATOM 1719 CA LEU A 112 -9.271 7.370 -7.323 1.00 0.00 C ATOM 1720 C LEU A 112 -9.728 6.935 -5.932 1.00 0.00 C ATOM 1721 O LEU A 112 -9.847 7.738 -5.029 1.00 0.00 O ATOM 1722 CB LEU A 112 -10.236 6.864 -8.401 1.00 0.00 C ATOM 1723 CG LEU A 112 -9.596 7.015 -9.785 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -10.623 6.684 -10.869 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -9.115 8.453 -9.983 1.00 0.00 C ATOM 0 H LEU A 112 -7.971 6.040 -8.380 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.219 8.459 -7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.484 5.819 -8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.169 7.426 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.750 6.332 -9.856 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.163 6.793 -11.851 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.969 5.658 -10.742 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.470 7.365 -10.788 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.661 8.552 -10.969 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.962 9.134 -9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.378 8.699 -9.218 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.955 5.666 -5.742 1.00 0.00 N ATOM 1738 CA GLU A 113 -10.367 5.188 -4.396 1.00 0.00 C ATOM 1739 C GLU A 113 -9.230 5.447 -3.419 1.00 0.00 C ATOM 1740 O GLU A 113 -9.409 5.458 -2.218 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.593 3.686 -4.558 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.441 3.448 -5.801 1.00 0.00 C ATOM 1743 CD GLU A 113 -12.537 2.428 -5.485 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -13.309 2.682 -4.575 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -12.582 1.410 -6.155 1.00 0.00 O ATOM 0 H GLU A 113 -9.873 4.943 -6.457 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.259 5.688 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.638 3.168 -4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.093 3.282 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.887 4.385 -6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.816 3.085 -6.616 1.00 0.00 H new ATOM 1752 N ALA A 114 -8.050 5.646 -3.935 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.889 5.889 -3.046 1.00 0.00 C ATOM 1754 C ALA A 114 -7.084 7.157 -2.224 1.00 0.00 C ATOM 1755 O ALA A 114 -6.687 7.222 -1.077 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.684 6.042 -3.974 1.00 0.00 C ATOM 0 H ALA A 114 -7.843 5.650 -4.934 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.758 5.072 -2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.788 6.225 -3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.554 5.129 -4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.849 6.882 -4.649 1.00 0.00 H new ATOM 1762 N VAL A 115 -7.663 8.178 -2.787 1.00 0.00 N ATOM 1763 CA VAL A 115 -7.828 9.430 -1.988 1.00 0.00 C ATOM 1764 C VAL A 115 -9.308 9.766 -1.749 1.00 0.00 C ATOM 1765 O VAL A 115 -9.647 10.427 -0.788 1.00 0.00 O ATOM 1766 CB VAL A 115 -7.128 10.548 -2.781 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -6.418 11.481 -1.798 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -6.082 9.965 -3.742 1.00 0.00 C ATOM 0 H VAL A 115 -8.022 8.206 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.387 9.311 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 115 -7.878 11.087 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -5.918 12.278 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -7.149 11.915 -1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.680 10.916 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.601 10.775 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.331 9.416 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.570 9.290 -4.445 1.00 0.00 H new ATOM 1778 N LEU A 116 -10.192 9.332 -2.608 1.00 0.00 N ATOM 1779 CA LEU A 116 -11.640 9.655 -2.405 1.00 0.00 C ATOM 1780 C LEU A 116 -12.261 8.742 -1.339 1.00 0.00 C ATOM 1781 O LEU A 116 -13.336 9.007 -0.839 1.00 0.00 O ATOM 1782 CB LEU A 116 -12.303 9.418 -3.766 1.00 0.00 C ATOM 1783 CG LEU A 116 -13.824 9.452 -3.607 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -14.457 10.092 -4.845 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -14.351 8.024 -3.443 1.00 0.00 C ATOM 0 H LEU A 116 -9.980 8.773 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.778 10.678 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.984 10.182 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.991 8.456 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 116 -14.083 10.039 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -15.541 10.115 -4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -14.083 11.109 -4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -14.199 9.508 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -15.435 8.047 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -14.091 7.437 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.903 7.570 -2.559 1.00 0.00 H new