USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 683 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 ASN : amide:sc= -0.832 K(o=-0.83,f=-7.2!) USER MOD Set 1.2: A 78 SER OG : rot 180:sc=-0.00104 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00178 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.011) USER MOD Single : A 44 TYR OH : rot 158:sc= 0.571 USER MOD Single : A 46 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-3.5!) USER MOD Single : A 54 CYS SG : rot -156:sc= -12.7! USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -131:sc= -0.024 (180deg=-0.729) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.714 F(o=-1.3,f=-0.71) USER MOD Single : A 68 SER OG : rot 180:sc=-0.00321 USER MOD Single : A 70 ASN : amide:sc= -3.15 K(o=-3.1,f=-6.1!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -138:sc= -1.24 (180deg=-2.67!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.862 USER MOD Single : A 87 THR OG1 : rot -22:sc= 0.186! USER MOD Single : A 95 SER OG : rot -20:sc= 0.379 USER MOD ----------------------------------------------------------------- ATOM 146 N ASP A 13 7.212 9.761 -8.470 1.00 0.00 N ATOM 147 CA ASP A 13 8.367 9.543 -7.607 1.00 0.00 C ATOM 148 C ASP A 13 9.392 8.643 -8.290 1.00 0.00 C ATOM 149 O ASP A 13 9.066 7.582 -8.822 1.00 0.00 O ATOM 150 CB ASP A 13 7.929 8.924 -6.279 1.00 0.00 C ATOM 151 CG ASP A 13 6.551 8.299 -6.359 1.00 0.00 C ATOM 152 OD1 ASP A 13 6.305 7.522 -7.305 1.00 0.00 O ATOM 153 OD2 ASP A 13 5.717 8.587 -5.474 1.00 0.00 O ATOM 0 HA ASP A 13 8.832 10.509 -7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.652 8.165 -5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.932 9.691 -5.505 1.00 0.00 H new ATOM 158 N PRO A 14 10.662 9.074 -8.275 1.00 0.00 N ATOM 159 CA PRO A 14 11.761 8.322 -8.888 1.00 0.00 C ATOM 160 C PRO A 14 12.084 7.042 -8.125 1.00 0.00 C ATOM 161 O PRO A 14 12.516 6.051 -8.712 1.00 0.00 O ATOM 162 CB PRO A 14 12.939 9.297 -8.821 1.00 0.00 C ATOM 163 CG PRO A 14 12.621 10.197 -7.677 1.00 0.00 C ATOM 164 CD PRO A 14 11.123 10.329 -7.658 1.00 0.00 C ATOM 0 HA PRO A 14 11.517 7.996 -9.899 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.880 8.771 -8.661 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.042 9.858 -9.750 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.988 9.780 -6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.097 11.170 -7.802 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.742 10.441 -6.643 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.789 11.200 -8.222 1.00 0.00 H new ATOM 172 N ALA A 15 11.872 7.071 -6.814 1.00 0.00 N ATOM 173 CA ALA A 15 12.138 5.912 -5.971 1.00 0.00 C ATOM 174 C ALA A 15 10.915 5.005 -5.882 1.00 0.00 C ATOM 175 O ALA A 15 10.766 4.239 -4.930 1.00 0.00 O ATOM 176 CB ALA A 15 12.569 6.358 -4.581 1.00 0.00 C ATOM 0 H ALA A 15 11.517 7.885 -6.312 1.00 0.00 H new ATOM 0 HA ALA A 15 12.948 5.342 -6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.764 5.482 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.475 6.959 -4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.776 6.953 -4.128 1.00 0.00 H new ATOM 182 N PHE A 16 10.043 5.097 -6.880 1.00 0.00 N ATOM 183 CA PHE A 16 8.831 4.285 -6.914 1.00 0.00 C ATOM 184 C PHE A 16 9.170 2.812 -7.119 1.00 0.00 C ATOM 185 O PHE A 16 9.679 2.421 -8.170 1.00 0.00 O ATOM 186 CB PHE A 16 7.900 4.767 -8.028 1.00 0.00 C ATOM 187 CG PHE A 16 6.898 3.735 -8.459 1.00 0.00 C ATOM 188 CD1 PHE A 16 5.929 3.281 -7.579 1.00 0.00 C ATOM 189 CD2 PHE A 16 6.924 3.219 -9.745 1.00 0.00 C ATOM 190 CE1 PHE A 16 5.006 2.331 -7.973 1.00 0.00 C ATOM 191 CE2 PHE A 16 6.003 2.269 -10.145 1.00 0.00 C ATOM 192 CZ PHE A 16 5.042 1.825 -9.257 1.00 0.00 C ATOM 0 H PHE A 16 10.152 5.725 -7.676 1.00 0.00 H new ATOM 0 HA PHE A 16 8.324 4.393 -5.955 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.370 5.657 -7.688 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.499 5.062 -8.889 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.895 3.674 -6.574 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.673 3.563 -10.443 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.257 1.984 -7.277 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.035 1.874 -11.150 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.320 1.084 -9.567 1.00 0.00 H new ATOM 202 N ARG A 17 8.883 1.999 -6.107 1.00 0.00 N ATOM 203 CA ARG A 17 9.159 0.569 -6.175 1.00 0.00 C ATOM 204 C ARG A 17 7.912 -0.242 -5.830 1.00 0.00 C ATOM 205 O ARG A 17 7.328 -0.076 -4.760 1.00 0.00 O ATOM 206 CB ARG A 17 10.298 0.201 -5.223 1.00 0.00 C ATOM 207 CG ARG A 17 11.680 0.467 -5.797 1.00 0.00 C ATOM 208 CD ARG A 17 12.616 -0.709 -5.564 1.00 0.00 C ATOM 209 NE ARG A 17 13.983 -0.413 -5.983 1.00 0.00 N ATOM 210 CZ ARG A 17 14.381 -0.418 -7.250 1.00 0.00 C ATOM 211 NH1 ARG A 17 13.520 -0.703 -8.217 1.00 0.00 N ATOM 212 NH2 ARG A 17 15.642 -0.137 -7.552 1.00 0.00 N ATOM 0 H ARG A 17 8.460 2.306 -5.231 1.00 0.00 H new ATOM 0 HA ARG A 17 9.457 0.330 -7.196 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.183 0.765 -4.297 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.218 -0.855 -4.965 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.600 0.663 -6.866 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.099 1.363 -5.339 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.610 -0.973 -4.506 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.249 -1.578 -6.111 1.00 0.00 H new ATOM 0 HE ARG A 17 14.670 -0.190 -5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.550 -0.919 -7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.828 -0.706 -9.189 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.307 0.083 -6.811 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.946 -0.141 -8.526 1.00 0.00 H new ATOM 226 N VAL A 18 7.510 -1.118 -6.746 1.00 0.00 N ATOM 227 CA VAL A 18 6.334 -1.954 -6.539 1.00 0.00 C ATOM 228 C VAL A 18 6.710 -3.431 -6.500 1.00 0.00 C ATOM 229 O VAL A 18 7.490 -3.905 -7.327 1.00 0.00 O ATOM 230 CB VAL A 18 5.286 -1.732 -7.645 1.00 0.00 C ATOM 231 CG1 VAL A 18 5.965 -1.455 -8.977 1.00 0.00 C ATOM 232 CG2 VAL A 18 4.359 -2.933 -7.749 1.00 0.00 C ATOM 0 H VAL A 18 7.982 -1.267 -7.638 1.00 0.00 H new ATOM 0 HA VAL A 18 5.905 -1.665 -5.579 1.00 0.00 H new ATOM 0 HB VAL A 18 4.686 -0.861 -7.383 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.208 -1.301 -9.746 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.583 -0.561 -8.891 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.591 -2.304 -9.250 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.625 -2.759 -8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.942 -3.823 -7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.845 -3.079 -6.799 1.00 0.00 H new ATOM 242 N ILE A 19 6.150 -4.153 -5.535 1.00 0.00 N ATOM 243 CA ILE A 19 6.426 -5.577 -5.390 1.00 0.00 C ATOM 244 C ILE A 19 5.135 -6.388 -5.373 1.00 0.00 C ATOM 245 O ILE A 19 4.040 -5.836 -5.488 1.00 0.00 O ATOM 246 CB ILE A 19 7.219 -5.869 -4.102 1.00 0.00 C ATOM 247 CG1 ILE A 19 6.447 -5.370 -2.879 1.00 0.00 C ATOM 248 CG2 ILE A 19 8.593 -5.221 -4.168 1.00 0.00 C ATOM 249 CD1 ILE A 19 5.798 -6.480 -2.080 1.00 0.00 C ATOM 0 H ILE A 19 5.503 -3.776 -4.843 1.00 0.00 H new ATOM 0 HA ILE A 19 7.026 -5.871 -6.251 1.00 0.00 H new ATOM 0 HB ILE A 19 7.351 -6.947 -4.010 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.127 -4.817 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.678 -4.670 -3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.141 -5.436 -3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.142 -5.619 -5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.482 -4.142 -4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.268 -6.053 -1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.093 -7.019 -2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.565 -7.168 -1.723 1.00 0.00 H new ATOM 261 N THR A 20 5.269 -7.703 -5.228 1.00 0.00 N ATOM 262 CA THR A 20 4.114 -8.591 -5.196 1.00 0.00 C ATOM 263 C THR A 20 4.176 -9.530 -3.996 1.00 0.00 C ATOM 264 O THR A 20 5.211 -10.139 -3.725 1.00 0.00 O ATOM 265 CB THR A 20 4.013 -9.428 -6.484 1.00 0.00 C ATOM 266 OG1 THR A 20 5.039 -9.040 -7.403 1.00 0.00 O ATOM 267 CG2 THR A 20 2.649 -9.255 -7.136 1.00 0.00 C ATOM 0 H THR A 20 6.167 -8.176 -5.131 1.00 0.00 H new ATOM 0 HA THR A 20 3.231 -7.958 -5.113 1.00 0.00 H new ATOM 0 HB THR A 20 4.142 -10.478 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.968 -9.579 -8.219 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.601 -9.856 -8.044 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.871 -9.580 -6.445 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.496 -8.205 -7.387 1.00 0.00 H new ATOM 275 N VAL A 21 3.061 -9.643 -3.281 1.00 0.00 N ATOM 276 CA VAL A 21 2.988 -10.509 -2.111 1.00 0.00 C ATOM 277 C VAL A 21 2.166 -11.760 -2.404 1.00 0.00 C ATOM 278 O VAL A 21 1.098 -11.686 -3.012 1.00 0.00 O ATOM 279 CB VAL A 21 2.372 -9.774 -0.906 1.00 0.00 C ATOM 280 CG1 VAL A 21 2.089 -10.750 0.227 1.00 0.00 C ATOM 281 CG2 VAL A 21 3.291 -8.655 -0.439 1.00 0.00 C ATOM 0 H VAL A 21 2.196 -9.145 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 21 4.010 -10.798 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 21 1.426 -9.331 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.654 -10.213 1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.391 -11.513 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.019 -11.224 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.841 -8.146 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.253 -9.074 -0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.438 -7.943 -1.251 1.00 0.00 H new ATOM 291 N THR A 22 2.671 -12.909 -1.966 1.00 0.00 N ATOM 292 CA THR A 22 1.985 -14.177 -2.182 1.00 0.00 C ATOM 293 C THR A 22 0.567 -14.136 -1.622 1.00 0.00 C ATOM 294 O THR A 22 0.369 -14.021 -0.413 1.00 0.00 O ATOM 295 CB THR A 22 2.748 -15.346 -1.531 1.00 0.00 C ATOM 296 OG1 THR A 22 4.120 -15.323 -1.939 1.00 0.00 O ATOM 297 CG2 THR A 22 2.123 -16.679 -1.914 1.00 0.00 C ATOM 0 H THR A 22 3.553 -12.988 -1.459 1.00 0.00 H new ATOM 0 HA THR A 22 1.943 -14.335 -3.260 1.00 0.00 H new ATOM 0 HB THR A 22 2.689 -15.232 -0.449 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.599 -16.068 -1.520 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.678 -17.490 -1.443 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.087 -16.705 -1.577 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.156 -16.798 -2.997 1.00 0.00 H new ATOM 305 N LYS A 23 -0.417 -14.232 -2.510 1.00 0.00 N ATOM 306 CA LYS A 23 -1.818 -14.208 -2.106 1.00 0.00 C ATOM 307 C LYS A 23 -2.306 -15.610 -1.755 1.00 0.00 C ATOM 308 O LYS A 23 -2.395 -16.480 -2.620 1.00 0.00 O ATOM 309 CB LYS A 23 -2.682 -13.620 -3.223 1.00 0.00 C ATOM 310 CG LYS A 23 -4.174 -13.796 -2.995 1.00 0.00 C ATOM 311 CD LYS A 23 -4.937 -13.844 -4.308 1.00 0.00 C ATOM 312 CE LYS A 23 -5.641 -12.526 -4.591 1.00 0.00 C ATOM 313 NZ LYS A 23 -6.476 -12.597 -5.822 1.00 0.00 N ATOM 0 H LYS A 23 -0.270 -14.327 -3.515 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.905 -13.579 -1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.461 -12.557 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.409 -14.090 -4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.352 -14.715 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.549 -12.974 -2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.249 -14.072 -5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.670 -14.650 -4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.269 -12.260 -3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.900 -11.734 -4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.939 -11.679 -5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.873 -12.826 -6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.200 -13.335 -5.708 1.00 0.00 H new ATOM 327 N GLU A 24 -2.622 -15.820 -0.481 1.00 0.00 N ATOM 328 CA GLU A 24 -3.103 -17.116 -0.017 1.00 0.00 C ATOM 329 C GLU A 24 -4.402 -16.966 0.768 1.00 0.00 C ATOM 330 O GLU A 24 -5.381 -17.668 0.513 1.00 0.00 O ATOM 331 CB GLU A 24 -2.044 -17.796 0.853 1.00 0.00 C ATOM 332 CG GLU A 24 -2.368 -19.242 1.188 1.00 0.00 C ATOM 333 CD GLU A 24 -1.208 -20.179 0.910 1.00 0.00 C ATOM 334 OE1 GLU A 24 -0.956 -20.475 -0.276 1.00 0.00 O ATOM 335 OE2 GLU A 24 -0.554 -20.616 1.880 1.00 0.00 O ATOM 0 H GLU A 24 -2.554 -15.110 0.248 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.298 -17.736 -0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.084 -17.758 0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.932 -17.234 1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.645 -19.314 2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.234 -19.560 0.608 1.00 0.00 H new ATOM 342 N THR A 25 -4.404 -16.044 1.727 1.00 0.00 N ATOM 343 CA THR A 25 -5.581 -15.802 2.551 1.00 0.00 C ATOM 344 C THR A 25 -6.166 -14.420 2.282 1.00 0.00 C ATOM 345 O THR A 25 -7.382 -14.256 2.193 1.00 0.00 O ATOM 346 CB THR A 25 -5.252 -15.925 4.051 1.00 0.00 C ATOM 347 OG1 THR A 25 -4.235 -14.982 4.408 1.00 0.00 O ATOM 348 CG2 THR A 25 -4.786 -17.333 4.390 1.00 0.00 C ATOM 0 H THR A 25 -3.603 -15.453 1.951 1.00 0.00 H new ATOM 0 HA THR A 25 -6.315 -16.562 2.284 1.00 0.00 H new ATOM 0 HB THR A 25 -6.159 -15.714 4.618 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.033 -15.065 5.363 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.560 -17.395 5.454 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.573 -18.046 4.144 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.891 -17.568 3.814 1.00 0.00 H new ATOM 356 N GLY A 26 -5.291 -13.427 2.153 1.00 0.00 N ATOM 357 CA GLY A 26 -5.740 -12.072 1.895 1.00 0.00 C ATOM 358 C GLY A 26 -4.677 -11.038 2.212 1.00 0.00 C ATOM 359 O GLY A 26 -3.591 -11.378 2.683 1.00 0.00 O ATOM 0 H GLY A 26 -4.279 -13.537 2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.029 -11.982 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.630 -11.868 2.490 1.00 0.00 H new ATOM 363 N LEU A 27 -4.988 -9.774 1.951 1.00 0.00 N ATOM 364 CA LEU A 27 -4.050 -8.686 2.210 1.00 0.00 C ATOM 365 C LEU A 27 -3.608 -8.684 3.670 1.00 0.00 C ATOM 366 O LEU A 27 -2.447 -8.948 3.977 1.00 0.00 O ATOM 367 CB LEU A 27 -4.688 -7.342 1.856 1.00 0.00 C ATOM 368 CG LEU A 27 -4.205 -6.690 0.560 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.806 -6.122 0.736 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.235 -7.693 -0.585 1.00 0.00 C ATOM 0 H LEU A 27 -5.882 -9.476 1.560 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.171 -8.840 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.767 -7.481 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.507 -6.649 2.677 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.880 -5.869 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.480 -5.662 -0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.815 -5.372 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.119 -6.924 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.888 -7.212 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.584 -8.535 -0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.254 -8.052 -0.728 1.00 0.00 H new ATOM 382 N GLY A 28 -4.544 -8.387 4.566 1.00 0.00 N ATOM 383 CA GLY A 28 -4.232 -8.358 5.983 1.00 0.00 C ATOM 384 C GLY A 28 -3.151 -7.350 6.318 1.00 0.00 C ATOM 385 O GLY A 28 -2.106 -7.708 6.863 1.00 0.00 O ATOM 0 H GLY A 28 -5.513 -8.166 4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.134 -8.119 6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.911 -9.350 6.302 1.00 0.00 H new ATOM 389 N LEU A 29 -3.401 -6.087 5.992 1.00 0.00 N ATOM 390 CA LEU A 29 -2.439 -5.023 6.260 1.00 0.00 C ATOM 391 C LEU A 29 -3.141 -3.776 6.788 1.00 0.00 C ATOM 392 O LEU A 29 -4.322 -3.555 6.522 1.00 0.00 O ATOM 393 CB LEU A 29 -1.657 -4.683 4.990 1.00 0.00 C ATOM 394 CG LEU A 29 -0.974 -5.858 4.288 1.00 0.00 C ATOM 395 CD1 LEU A 29 -0.506 -5.451 2.900 1.00 0.00 C ATOM 396 CD2 LEU A 29 0.193 -6.370 5.118 1.00 0.00 C ATOM 0 H LEU A 29 -4.261 -5.774 5.542 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.745 -5.377 7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.339 -4.210 4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.896 -3.944 5.242 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.699 -6.665 4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.023 -6.299 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.363 -5.134 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.203 -4.628 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.667 -7.206 4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.920 -5.570 5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.170 -6.702 6.091 1.00 0.00 H new ATOM 408 N LYS A 30 -2.404 -2.961 7.536 1.00 0.00 N ATOM 409 CA LYS A 30 -2.953 -1.733 8.099 1.00 0.00 C ATOM 410 C LYS A 30 -2.319 -0.507 7.452 1.00 0.00 C ATOM 411 O LYS A 30 -1.097 -0.424 7.322 1.00 0.00 O ATOM 412 CB LYS A 30 -2.730 -1.697 9.613 1.00 0.00 C ATOM 413 CG LYS A 30 -3.278 -2.914 10.337 1.00 0.00 C ATOM 414 CD LYS A 30 -2.825 -2.951 11.787 1.00 0.00 C ATOM 415 CE LYS A 30 -3.953 -3.382 12.713 1.00 0.00 C ATOM 416 NZ LYS A 30 -3.437 -3.942 13.992 1.00 0.00 N ATOM 0 H LYS A 30 -1.425 -3.129 7.766 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.024 -1.717 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.661 -1.616 9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.199 -0.801 10.020 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.367 -2.903 10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.948 -3.820 9.829 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.986 -3.639 11.890 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.467 -1.965 12.083 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.596 -2.528 12.924 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.569 -4.129 12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.236 -4.224 14.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.844 -4.773 13.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.870 -3.221 14.483 1.00 0.00 H new ATOM 430 N ILE A 31 -3.155 0.444 7.049 1.00 0.00 N ATOM 431 CA ILE A 31 -2.675 1.667 6.418 1.00 0.00 C ATOM 432 C ILE A 31 -2.788 2.856 7.366 1.00 0.00 C ATOM 433 O ILE A 31 -3.507 2.801 8.365 1.00 0.00 O ATOM 434 CB ILE A 31 -3.455 1.978 5.126 1.00 0.00 C ATOM 435 CG1 ILE A 31 -4.956 2.046 5.415 1.00 0.00 C ATOM 436 CG2 ILE A 31 -3.161 0.928 4.065 1.00 0.00 C ATOM 437 CD1 ILE A 31 -5.589 3.361 5.017 1.00 0.00 C ATOM 0 H ILE A 31 -4.169 0.391 7.148 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.627 1.503 6.169 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.133 2.948 4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.457 1.236 4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.121 1.880 6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.719 1.161 3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.094 0.924 3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.459 -0.054 4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.653 3.338 5.251 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.114 4.174 5.566 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.456 3.520 3.947 1.00 0.00 H new ATOM 449 N LEU A 32 -2.076 3.930 7.045 1.00 0.00 N ATOM 450 CA LEU A 32 -2.098 5.135 7.867 1.00 0.00 C ATOM 451 C LEU A 32 -2.196 6.385 6.999 1.00 0.00 C ATOM 452 O LEU A 32 -1.866 6.358 5.814 1.00 0.00 O ATOM 453 CB LEU A 32 -0.843 5.204 8.740 1.00 0.00 C ATOM 454 CG LEU A 32 -1.039 4.888 10.223 1.00 0.00 C ATOM 455 CD1 LEU A 32 0.288 4.953 10.962 1.00 0.00 C ATOM 456 CD2 LEU A 32 -2.045 5.847 10.844 1.00 0.00 C ATOM 0 H LEU A 32 -1.477 3.991 6.222 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.978 5.091 8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.105 4.511 8.336 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.420 6.205 8.655 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.431 3.875 10.311 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.129 4.725 12.016 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.979 4.227 10.534 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.709 5.954 10.866 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.172 5.607 11.900 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.681 6.870 10.745 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.003 5.751 10.332 1.00 0.00 H new ATOM 468 N GLY A 33 -2.650 7.482 7.598 1.00 0.00 N ATOM 469 CA GLY A 33 -2.781 8.728 6.864 1.00 0.00 C ATOM 470 C GLY A 33 -4.203 8.982 6.403 1.00 0.00 C ATOM 471 O GLY A 33 -5.152 8.444 6.970 1.00 0.00 O ATOM 0 H GLY A 33 -2.929 7.530 8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.454 9.554 7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.120 8.707 5.998 1.00 0.00 H new ATOM 475 N GLY A 34 -4.350 9.807 5.371 1.00 0.00 N ATOM 476 CA GLY A 34 -5.669 10.119 4.853 1.00 0.00 C ATOM 477 C GLY A 34 -5.917 11.612 4.759 1.00 0.00 C ATOM 478 O GLY A 34 -5.740 12.339 5.736 1.00 0.00 O ATOM 0 H GLY A 34 -3.579 10.265 4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.783 9.672 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.425 9.668 5.496 1.00 0.00 H new ATOM 482 N ILE A 35 -6.326 12.069 3.580 1.00 0.00 N ATOM 483 CA ILE A 35 -6.598 13.484 3.363 1.00 0.00 C ATOM 484 C ILE A 35 -7.250 14.113 4.590 1.00 0.00 C ATOM 485 O ILE A 35 -7.042 15.290 4.880 1.00 0.00 O ATOM 486 CB ILE A 35 -7.512 13.701 2.142 1.00 0.00 C ATOM 487 CG1 ILE A 35 -8.812 12.911 2.304 1.00 0.00 C ATOM 488 CG2 ILE A 35 -6.793 13.293 0.864 1.00 0.00 C ATOM 489 CD1 ILE A 35 -9.650 12.862 1.046 1.00 0.00 C ATOM 0 H ILE A 35 -6.476 11.480 2.761 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.638 13.965 3.178 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.759 14.760 2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.573 11.893 2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.401 13.356 3.106 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.451 13.452 0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.892 13.895 0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.520 12.239 0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.556 12.286 1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.920 13.875 0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.079 12.389 0.247 1.00 0.00 H new ATOM 501 N ASN A 36 -8.039 13.319 5.307 1.00 0.00 N ATOM 502 CA ASN A 36 -8.721 13.799 6.504 1.00 0.00 C ATOM 503 C ASN A 36 -7.870 13.558 7.747 1.00 0.00 C ATOM 504 O ASN A 36 -7.874 14.362 8.679 1.00 0.00 O ATOM 505 CB ASN A 36 -10.075 13.104 6.657 1.00 0.00 C ATOM 506 CG ASN A 36 -10.014 11.632 6.296 1.00 0.00 C ATOM 507 OD1 ASN A 36 -9.131 10.906 6.752 1.00 0.00 O ATOM 508 ND2 ASN A 36 -10.955 11.186 5.472 1.00 0.00 N ATOM 0 H ASN A 36 -8.222 12.341 5.080 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.881 14.872 6.397 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -10.420 13.209 7.686 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -10.809 13.601 6.022 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.965 10.205 5.193 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -11.668 11.824 5.118 1.00 0.00 H new ATOM 515 N ARG A 37 -7.141 12.447 7.753 1.00 0.00 N ATOM 516 CA ARG A 37 -6.286 12.100 8.882 1.00 0.00 C ATOM 517 C ARG A 37 -5.103 13.059 8.983 1.00 0.00 C ATOM 518 O ARG A 37 -4.869 13.868 8.085 1.00 0.00 O ATOM 519 CB ARG A 37 -5.780 10.663 8.743 1.00 0.00 C ATOM 520 CG ARG A 37 -6.844 9.614 9.019 1.00 0.00 C ATOM 521 CD ARG A 37 -7.251 9.604 10.485 1.00 0.00 C ATOM 522 NE ARG A 37 -7.830 8.325 10.884 1.00 0.00 N ATOM 523 CZ ARG A 37 -9.079 7.965 10.607 1.00 0.00 C ATOM 524 NH1 ARG A 37 -9.874 8.784 9.932 1.00 0.00 N ATOM 525 NH2 ARG A 37 -9.534 6.784 11.004 1.00 0.00 N ATOM 0 H ARG A 37 -7.125 11.772 6.989 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.878 12.183 9.793 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.393 10.519 7.734 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.946 10.512 9.429 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.719 9.810 8.399 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.468 8.630 8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.380 9.816 11.104 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.973 10.401 10.666 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.244 7.672 11.404 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.527 9.693 9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.832 8.505 9.721 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.925 6.151 11.523 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.493 6.509 10.791 1.00 0.00 H new ATOM 539 N ASN A 38 -4.362 12.963 10.082 1.00 0.00 N ATOM 540 CA ASN A 38 -3.205 13.823 10.300 1.00 0.00 C ATOM 541 C ASN A 38 -1.955 13.226 9.660 1.00 0.00 C ATOM 542 O ASN A 38 -1.042 13.951 9.266 1.00 0.00 O ATOM 543 CB ASN A 38 -2.974 14.031 11.798 1.00 0.00 C ATOM 544 CG ASN A 38 -3.430 15.398 12.269 1.00 0.00 C ATOM 545 OD1 ASN A 38 -4.267 15.511 13.165 1.00 0.00 O ATOM 546 ND2 ASN A 38 -2.881 16.446 11.666 1.00 0.00 N ATOM 0 H ASN A 38 -4.542 12.299 10.835 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.406 14.787 9.832 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.508 13.261 12.355 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.914 13.908 12.020 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.149 17.391 11.941 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.191 16.306 10.928 1.00 0.00 H new ATOM 553 N GLU A 39 -1.923 11.901 9.559 1.00 0.00 N ATOM 554 CA GLU A 39 -0.786 11.208 8.966 1.00 0.00 C ATOM 555 C GLU A 39 -0.741 11.427 7.456 1.00 0.00 C ATOM 556 O GLU A 39 0.313 11.312 6.832 1.00 0.00 O ATOM 557 CB GLU A 39 -0.856 9.711 9.273 1.00 0.00 C ATOM 558 CG GLU A 39 0.026 9.285 10.435 1.00 0.00 C ATOM 559 CD GLU A 39 1.503 9.357 10.102 1.00 0.00 C ATOM 560 OE1 GLU A 39 1.950 10.415 9.611 1.00 0.00 O ATOM 561 OE2 GLU A 39 2.213 8.356 10.334 1.00 0.00 O ATOM 0 H GLU A 39 -2.671 11.287 9.880 1.00 0.00 H new ATOM 0 HA GLU A 39 0.124 11.619 9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.889 9.442 9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.565 9.152 8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.180 9.922 11.295 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.228 8.265 10.725 1.00 0.00 H new ATOM 568 N GLY A 40 -1.895 11.745 6.876 1.00 0.00 N ATOM 569 CA GLY A 40 -1.966 11.974 5.445 1.00 0.00 C ATOM 570 C GLY A 40 -1.284 13.263 5.030 1.00 0.00 C ATOM 571 O GLY A 40 -0.505 13.848 5.782 1.00 0.00 O ATOM 0 H GLY A 40 -2.781 11.848 7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.503 11.137 4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.011 12.004 5.136 1.00 0.00 H new ATOM 575 N PRO A 41 -1.575 13.723 3.804 1.00 0.00 N ATOM 576 CA PRO A 41 -2.501 13.035 2.899 1.00 0.00 C ATOM 577 C PRO A 41 -1.931 11.720 2.377 1.00 0.00 C ATOM 578 O PRO A 41 -2.671 10.851 1.915 1.00 0.00 O ATOM 579 CB PRO A 41 -2.683 14.032 1.752 1.00 0.00 C ATOM 580 CG PRO A 41 -1.442 14.855 1.765 1.00 0.00 C ATOM 581 CD PRO A 41 -1.023 14.951 3.207 1.00 0.00 C ATOM 0 HA PRO A 41 -3.432 12.764 3.397 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.808 13.520 0.798 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.569 14.649 1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.661 14.393 1.162 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.625 15.844 1.345 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.061 14.995 3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.424 15.845 3.684 1.00 0.00 H new ATOM 589 N LEU A 42 -0.612 11.581 2.453 1.00 0.00 N ATOM 590 CA LEU A 42 0.058 10.371 1.988 1.00 0.00 C ATOM 591 C LEU A 42 -0.362 9.163 2.819 1.00 0.00 C ATOM 592 O LEU A 42 -0.612 9.278 4.019 1.00 0.00 O ATOM 593 CB LEU A 42 1.576 10.548 2.055 1.00 0.00 C ATOM 594 CG LEU A 42 2.197 11.428 0.970 1.00 0.00 C ATOM 595 CD1 LEU A 42 1.625 11.078 -0.395 1.00 0.00 C ATOM 596 CD2 LEU A 42 1.971 12.900 1.284 1.00 0.00 C ATOM 0 H LEU A 42 0.015 12.291 2.832 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.236 10.197 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.830 10.971 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.039 9.563 2.005 1.00 0.00 H new ATOM 0 HG LEU A 42 3.271 11.242 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.079 11.715 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.839 10.034 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.546 11.234 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.420 13.512 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.901 13.101 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.431 13.142 2.242 1.00 0.00 H new ATOM 608 N VAL A 43 -0.436 8.004 2.173 1.00 0.00 N ATOM 609 CA VAL A 43 -0.822 6.773 2.853 1.00 0.00 C ATOM 610 C VAL A 43 0.377 5.851 3.043 1.00 0.00 C ATOM 611 O VAL A 43 1.106 5.559 2.095 1.00 0.00 O ATOM 612 CB VAL A 43 -1.915 6.020 2.072 1.00 0.00 C ATOM 613 CG1 VAL A 43 -2.251 4.704 2.757 1.00 0.00 C ATOM 614 CG2 VAL A 43 -3.157 6.886 1.926 1.00 0.00 C ATOM 0 H VAL A 43 -0.234 7.891 1.180 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.214 7.060 3.829 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.536 5.796 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.025 4.186 2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.358 4.081 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.611 4.901 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.919 6.338 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.540 7.142 2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.903 7.799 1.388 1.00 0.00 H new ATOM 624 N TYR A 44 0.576 5.395 4.275 1.00 0.00 N ATOM 625 CA TYR A 44 1.689 4.508 4.592 1.00 0.00 C ATOM 626 C TYR A 44 1.190 3.220 5.242 1.00 0.00 C ATOM 627 O TYR A 44 0.008 3.091 5.561 1.00 0.00 O ATOM 628 CB TYR A 44 2.681 5.210 5.520 1.00 0.00 C ATOM 629 CG TYR A 44 2.619 6.719 5.442 1.00 0.00 C ATOM 630 CD1 TYR A 44 3.101 7.397 4.329 1.00 0.00 C ATOM 631 CD2 TYR A 44 2.081 7.466 6.482 1.00 0.00 C ATOM 632 CE1 TYR A 44 3.047 8.775 4.253 1.00 0.00 C ATOM 633 CE2 TYR A 44 2.022 8.845 6.414 1.00 0.00 C ATOM 634 CZ TYR A 44 2.506 9.494 5.298 1.00 0.00 C ATOM 635 OH TYR A 44 2.451 10.868 5.228 1.00 0.00 O ATOM 0 H TYR A 44 -0.019 5.625 5.071 1.00 0.00 H new ATOM 0 HA TYR A 44 2.194 4.252 3.660 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.488 4.899 6.547 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.691 4.883 5.273 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.525 6.837 3.509 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.703 6.961 7.358 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.426 9.286 3.381 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.599 9.411 7.231 1.00 0.00 H new ATOM 0 HH TYR A 44 1.756 11.199 5.835 1.00 0.00 H new ATOM 645 N ILE A 45 2.101 2.272 5.435 1.00 0.00 N ATOM 646 CA ILE A 45 1.756 0.996 6.048 1.00 0.00 C ATOM 647 C ILE A 45 1.711 1.111 7.568 1.00 0.00 C ATOM 648 O ILE A 45 2.745 1.068 8.236 1.00 0.00 O ATOM 649 CB ILE A 45 2.758 -0.106 5.657 1.00 0.00 C ATOM 650 CG1 ILE A 45 2.774 -0.297 4.139 1.00 0.00 C ATOM 651 CG2 ILE A 45 2.410 -1.411 6.357 1.00 0.00 C ATOM 652 CD1 ILE A 45 3.618 -1.467 3.686 1.00 0.00 C ATOM 0 H ILE A 45 3.083 2.364 5.176 1.00 0.00 H new ATOM 0 HA ILE A 45 0.768 0.725 5.677 1.00 0.00 H new ATOM 0 HB ILE A 45 3.754 0.200 5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.752 -0.439 3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.148 0.613 3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.127 -2.180 6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.446 -1.266 7.437 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.407 -1.724 6.066 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.583 -1.542 2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.649 -1.317 4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.231 -2.386 4.126 1.00 0.00 H new ATOM 664 N HIS A 46 0.505 1.254 8.110 1.00 0.00 N ATOM 665 CA HIS A 46 0.325 1.373 9.552 1.00 0.00 C ATOM 666 C HIS A 46 1.039 0.240 10.284 1.00 0.00 C ATOM 667 O HIS A 46 1.839 0.481 11.187 1.00 0.00 O ATOM 668 CB HIS A 46 -1.163 1.364 9.903 1.00 0.00 C ATOM 669 CG HIS A 46 -1.436 1.573 11.361 1.00 0.00 C ATOM 670 ND1 HIS A 46 -2.414 2.426 11.829 1.00 0.00 N ATOM 671 CD2 HIS A 46 -0.853 1.033 12.457 1.00 0.00 C ATOM 672 CE1 HIS A 46 -2.419 2.403 13.150 1.00 0.00 C ATOM 673 NE2 HIS A 46 -1.482 1.565 13.556 1.00 0.00 N ATOM 0 H HIS A 46 -0.361 1.290 7.572 1.00 0.00 H new ATOM 0 HA HIS A 46 0.761 2.320 9.871 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.667 2.144 9.332 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.595 0.412 9.594 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.044 0.317 12.466 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.077 2.973 13.789 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.261 1.348 14.528 1.00 0.00 H new ATOM 682 N GLU A 47 0.743 -0.994 9.888 1.00 0.00 N ATOM 683 CA GLU A 47 1.356 -2.162 10.508 1.00 0.00 C ATOM 684 C GLU A 47 0.827 -3.450 9.883 1.00 0.00 C ATOM 685 O GLU A 47 -0.381 -3.687 9.850 1.00 0.00 O ATOM 686 CB GLU A 47 1.090 -2.166 12.015 1.00 0.00 C ATOM 687 CG GLU A 47 1.615 -3.404 12.722 1.00 0.00 C ATOM 688 CD GLU A 47 1.373 -3.368 14.219 1.00 0.00 C ATOM 689 OE1 GLU A 47 2.092 -2.626 14.919 1.00 0.00 O ATOM 690 OE2 GLU A 47 0.462 -4.082 14.689 1.00 0.00 O ATOM 0 H GLU A 47 0.083 -1.210 9.141 1.00 0.00 H new ATOM 0 HA GLU A 47 2.431 -2.110 10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.549 -1.282 12.459 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.016 -2.088 12.186 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.136 -4.288 12.302 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.684 -3.500 12.533 1.00 0.00 H new ATOM 697 N VAL A 48 1.741 -4.279 9.389 1.00 0.00 N ATOM 698 CA VAL A 48 1.368 -5.544 8.765 1.00 0.00 C ATOM 699 C VAL A 48 0.937 -6.566 9.811 1.00 0.00 C ATOM 700 O VAL A 48 1.773 -7.222 10.433 1.00 0.00 O ATOM 701 CB VAL A 48 2.530 -6.128 7.941 1.00 0.00 C ATOM 702 CG1 VAL A 48 3.839 -6.012 8.707 1.00 0.00 C ATOM 703 CG2 VAL A 48 2.246 -7.575 7.570 1.00 0.00 C ATOM 0 H VAL A 48 2.745 -4.098 9.409 1.00 0.00 H new ATOM 0 HA VAL A 48 0.531 -5.334 8.099 1.00 0.00 H new ATOM 0 HB VAL A 48 2.624 -5.553 7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.649 -6.430 8.109 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.046 -4.963 8.916 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.761 -6.560 9.646 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.078 -7.971 6.988 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.124 -8.166 8.478 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.332 -7.626 6.978 1.00 0.00 H new ATOM 713 N ILE A 49 -0.372 -6.696 9.999 1.00 0.00 N ATOM 714 CA ILE A 49 -0.914 -7.640 10.969 1.00 0.00 C ATOM 715 C ILE A 49 -0.201 -8.985 10.884 1.00 0.00 C ATOM 716 O ILE A 49 -0.018 -9.552 9.806 1.00 0.00 O ATOM 717 CB ILE A 49 -2.424 -7.858 10.759 1.00 0.00 C ATOM 718 CG1 ILE A 49 -3.175 -6.531 10.881 1.00 0.00 C ATOM 719 CG2 ILE A 49 -2.958 -8.869 11.763 1.00 0.00 C ATOM 720 CD1 ILE A 49 -4.578 -6.576 10.319 1.00 0.00 C ATOM 0 H ILE A 49 -1.077 -6.160 9.493 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.752 -7.207 11.956 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.583 -8.253 9.756 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.222 -6.245 11.932 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.610 -5.755 10.365 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.026 -9.012 11.602 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.441 -9.819 11.633 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.790 -8.500 12.775 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.050 -5.601 10.440 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.538 -6.831 9.260 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.159 -7.329 10.851 1.00 0.00 H new ATOM 732 N PRO A 50 0.210 -9.512 12.047 1.00 0.00 N ATOM 733 CA PRO A 50 0.908 -10.798 12.131 1.00 0.00 C ATOM 734 C PRO A 50 -0.007 -11.975 11.809 1.00 0.00 C ATOM 735 O PRO A 50 -0.864 -12.345 12.610 1.00 0.00 O ATOM 736 CB PRO A 50 1.365 -10.859 13.591 1.00 0.00 C ATOM 737 CG PRO A 50 0.404 -9.989 14.325 1.00 0.00 C ATOM 738 CD PRO A 50 0.026 -8.891 13.369 1.00 0.00 C ATOM 0 HA PRO A 50 1.724 -10.867 11.412 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.343 -11.881 13.970 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.388 -10.500 13.701 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.474 -10.554 14.637 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.858 -9.581 15.228 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.003 -8.564 13.520 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.661 -8.014 13.493 1.00 0.00 H new ATOM 746 N GLY A 51 0.183 -12.562 10.631 1.00 0.00 N ATOM 747 CA GLY A 51 -0.632 -13.691 10.225 1.00 0.00 C ATOM 748 C GLY A 51 -1.298 -13.472 8.881 1.00 0.00 C ATOM 749 O GLY A 51 -2.254 -14.164 8.534 1.00 0.00 O ATOM 0 H GLY A 51 0.887 -12.275 9.951 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.011 -14.585 10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.396 -13.874 10.980 1.00 0.00 H new ATOM 753 N GLY A 52 -0.793 -12.504 8.123 1.00 0.00 N ATOM 754 CA GLY A 52 -1.360 -12.211 6.819 1.00 0.00 C ATOM 755 C GLY A 52 -0.476 -12.687 5.683 1.00 0.00 C ATOM 756 O GLY A 52 0.403 -13.526 5.881 1.00 0.00 O ATOM 0 H GLY A 52 -0.002 -11.917 8.388 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.338 -12.684 6.737 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.517 -11.136 6.727 1.00 0.00 H new ATOM 760 N ASP A 53 -0.710 -12.153 4.490 1.00 0.00 N ATOM 761 CA ASP A 53 0.071 -12.528 3.317 1.00 0.00 C ATOM 762 C ASP A 53 1.432 -11.839 3.326 1.00 0.00 C ATOM 763 O ASP A 53 2.472 -12.497 3.349 1.00 0.00 O ATOM 764 CB ASP A 53 -0.686 -12.171 2.037 1.00 0.00 C ATOM 765 CG ASP A 53 -1.744 -13.199 1.684 1.00 0.00 C ATOM 766 OD1 ASP A 53 -1.635 -14.349 2.159 1.00 0.00 O ATOM 767 OD2 ASP A 53 -2.679 -12.854 0.932 1.00 0.00 O ATOM 0 H ASP A 53 -1.435 -11.458 4.309 1.00 0.00 H new ATOM 0 HA ASP A 53 0.229 -13.606 3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.157 -11.195 2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.021 -12.084 1.212 1.00 0.00 H new ATOM 772 N CYS A 54 1.416 -10.511 3.308 1.00 0.00 N ATOM 773 CA CYS A 54 2.649 -9.731 3.313 1.00 0.00 C ATOM 774 C CYS A 54 3.514 -10.089 4.517 1.00 0.00 C ATOM 775 O CYS A 54 4.716 -10.321 4.385 1.00 0.00 O ATOM 776 CB CYS A 54 2.332 -8.236 3.324 1.00 0.00 C ATOM 777 SG CYS A 54 1.404 -7.667 1.880 1.00 0.00 S ATOM 0 H CYS A 54 0.563 -9.952 3.290 1.00 0.00 H new ATOM 0 HA CYS A 54 3.204 -9.970 2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.762 -8.003 4.224 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.266 -7.678 3.385 1.00 0.00 H new ATOM 0 HG CYS A 54 1.610 -6.395 1.705 1.00 0.00 H new ATOM 783 N TYR A 55 2.895 -10.131 5.692 1.00 0.00 N ATOM 784 CA TYR A 55 3.609 -10.456 6.921 1.00 0.00 C ATOM 785 C TYR A 55 4.615 -11.578 6.686 1.00 0.00 C ATOM 786 O TYR A 55 5.826 -11.371 6.770 1.00 0.00 O ATOM 787 CB TYR A 55 2.622 -10.863 8.016 1.00 0.00 C ATOM 788 CG TYR A 55 3.255 -10.997 9.383 1.00 0.00 C ATOM 789 CD1 TYR A 55 3.788 -9.893 10.035 1.00 0.00 C ATOM 790 CD2 TYR A 55 3.320 -12.230 10.021 1.00 0.00 C ATOM 791 CE1 TYR A 55 4.368 -10.012 11.283 1.00 0.00 C ATOM 792 CE2 TYR A 55 3.897 -12.358 11.270 1.00 0.00 C ATOM 793 CZ TYR A 55 4.420 -11.246 11.897 1.00 0.00 C ATOM 794 OH TYR A 55 4.996 -11.368 13.140 1.00 0.00 O ATOM 0 H TYR A 55 1.900 -9.944 5.819 1.00 0.00 H new ATOM 0 HA TYR A 55 4.152 -9.567 7.242 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.823 -10.124 8.066 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.161 -11.813 7.744 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.748 -8.925 9.558 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.913 -13.103 9.532 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.779 -9.143 11.776 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.938 -13.323 11.753 1.00 0.00 H new ATOM 0 HH TYR A 55 4.950 -12.303 13.431 1.00 0.00 H new ATOM 804 N LYS A 56 4.106 -12.769 6.389 1.00 0.00 N ATOM 805 CA LYS A 56 4.957 -13.926 6.139 1.00 0.00 C ATOM 806 C LYS A 56 5.944 -13.641 5.011 1.00 0.00 C ATOM 807 O LYS A 56 6.975 -14.303 4.894 1.00 0.00 O ATOM 808 CB LYS A 56 4.104 -15.147 5.788 1.00 0.00 C ATOM 809 CG LYS A 56 3.789 -16.031 6.982 1.00 0.00 C ATOM 810 CD LYS A 56 2.316 -16.405 7.026 1.00 0.00 C ATOM 811 CE LYS A 56 1.598 -15.705 8.170 1.00 0.00 C ATOM 812 NZ LYS A 56 1.816 -16.400 9.469 1.00 0.00 N ATOM 0 H LYS A 56 3.106 -12.958 6.316 1.00 0.00 H new ATOM 0 HA LYS A 56 5.521 -14.134 7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.170 -14.810 5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.624 -15.739 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.394 -16.936 6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.061 -15.513 7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.843 -16.138 6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.217 -17.485 7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.950 -14.676 8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.530 -15.661 7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.902 -16.539 9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.261 -17.324 9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.437 -15.823 10.072 1.00 0.00 H new ATOM 826 N ASP A 57 5.622 -12.652 4.185 1.00 0.00 N ATOM 827 CA ASP A 57 6.482 -12.278 3.068 1.00 0.00 C ATOM 828 C ASP A 57 7.693 -11.488 3.555 1.00 0.00 C ATOM 829 O ASP A 57 8.836 -11.866 3.302 1.00 0.00 O ATOM 830 CB ASP A 57 5.697 -11.453 2.047 1.00 0.00 C ATOM 831 CG ASP A 57 6.023 -11.840 0.617 1.00 0.00 C ATOM 832 OD1 ASP A 57 7.190 -12.195 0.351 1.00 0.00 O ATOM 833 OD2 ASP A 57 5.112 -11.785 -0.235 1.00 0.00 O ATOM 0 H ASP A 57 4.772 -12.095 4.268 1.00 0.00 H new ATOM 0 HA ASP A 57 6.835 -13.192 2.591 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.629 -11.585 2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.916 -10.395 2.193 1.00 0.00 H new ATOM 838 N GLY A 58 7.433 -10.387 4.255 1.00 0.00 N ATOM 839 CA GLY A 58 8.512 -9.561 4.765 1.00 0.00 C ATOM 840 C GLY A 58 8.943 -8.496 3.776 1.00 0.00 C ATOM 841 O GLY A 58 9.503 -7.470 4.163 1.00 0.00 O ATOM 0 H GLY A 58 6.495 -10.053 4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.194 -9.084 5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.366 -10.193 5.009 1.00 0.00 H new ATOM 845 N ARG A 59 8.684 -8.740 2.496 1.00 0.00 N ATOM 846 CA ARG A 59 9.052 -7.795 1.448 1.00 0.00 C ATOM 847 C ARG A 59 8.722 -6.365 1.866 1.00 0.00 C ATOM 848 O ARG A 59 9.574 -5.477 1.809 1.00 0.00 O ATOM 849 CB ARG A 59 8.328 -8.137 0.145 1.00 0.00 C ATOM 850 CG ARG A 59 8.748 -9.470 -0.453 1.00 0.00 C ATOM 851 CD ARG A 59 8.780 -9.414 -1.972 1.00 0.00 C ATOM 852 NE ARG A 59 9.664 -8.360 -2.462 1.00 0.00 N ATOM 853 CZ ARG A 59 10.125 -8.307 -3.707 1.00 0.00 C ATOM 854 NH1 ARG A 59 9.788 -9.244 -4.582 1.00 0.00 N ATOM 855 NH2 ARG A 59 10.925 -7.316 -4.077 1.00 0.00 N ATOM 0 H ARG A 59 8.221 -9.584 2.159 1.00 0.00 H new ATOM 0 HA ARG A 59 10.128 -7.870 1.288 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.254 -8.153 0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.514 -7.347 -0.583 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.734 -9.744 -0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.056 -10.248 -0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.111 -10.376 -2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.771 -9.246 -2.350 1.00 0.00 H new ATOM 0 HE ARG A 59 9.943 -7.624 -1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.174 -10.008 -4.300 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.143 -9.201 -5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.187 -6.594 -3.406 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.279 -7.276 -5.033 1.00 0.00 H new ATOM 869 N LEU A 60 7.480 -6.148 2.284 1.00 0.00 N ATOM 870 CA LEU A 60 7.036 -4.826 2.711 1.00 0.00 C ATOM 871 C LEU A 60 7.276 -4.626 4.204 1.00 0.00 C ATOM 872 O LEU A 60 7.872 -5.476 4.867 1.00 0.00 O ATOM 873 CB LEU A 60 5.552 -4.637 2.392 1.00 0.00 C ATOM 874 CG LEU A 60 5.199 -4.472 0.914 1.00 0.00 C ATOM 875 CD1 LEU A 60 3.787 -4.968 0.643 1.00 0.00 C ATOM 876 CD2 LEU A 60 5.345 -3.017 0.490 1.00 0.00 C ATOM 0 H LEU A 60 6.762 -6.871 2.336 1.00 0.00 H new ATOM 0 HA LEU A 60 7.617 -4.082 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.005 -5.495 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.194 -3.760 2.931 1.00 0.00 H new ATOM 0 HG LEU A 60 5.892 -5.073 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.554 -4.842 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.715 -6.023 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.079 -4.395 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.090 -2.918 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.676 -2.396 1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.374 -2.694 0.646 1.00 0.00 H new ATOM 888 N LYS A 61 6.808 -3.498 4.728 1.00 0.00 N ATOM 889 CA LYS A 61 6.968 -3.187 6.143 1.00 0.00 C ATOM 890 C LYS A 61 6.266 -1.880 6.496 1.00 0.00 C ATOM 891 O LYS A 61 5.939 -1.070 5.629 1.00 0.00 O ATOM 892 CB LYS A 61 8.453 -3.093 6.501 1.00 0.00 C ATOM 893 CG LYS A 61 8.987 -4.325 7.211 1.00 0.00 C ATOM 894 CD LYS A 61 9.848 -3.951 8.406 1.00 0.00 C ATOM 895 CE LYS A 61 10.828 -5.060 8.756 1.00 0.00 C ATOM 896 NZ LYS A 61 10.622 -5.566 10.141 1.00 0.00 N ATOM 0 H LYS A 61 6.314 -2.784 4.193 1.00 0.00 H new ATOM 0 HA LYS A 61 6.511 -3.991 6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.028 -2.931 5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.611 -2.221 7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.154 -4.945 7.542 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.572 -4.923 6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.397 -3.035 8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.210 -3.744 9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.714 -5.882 8.049 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.848 -4.689 8.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.309 -6.321 10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.755 -4.788 10.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.657 -5.943 10.233 1.00 0.00 H new ATOM 910 N PRO A 62 6.028 -1.668 7.799 1.00 0.00 N ATOM 911 CA PRO A 62 5.364 -0.459 8.295 1.00 0.00 C ATOM 912 C PRO A 62 6.237 0.783 8.152 1.00 0.00 C ATOM 913 O PRO A 62 7.411 0.775 8.521 1.00 0.00 O ATOM 914 CB PRO A 62 5.119 -0.771 9.774 1.00 0.00 C ATOM 915 CG PRO A 62 6.163 -1.772 10.128 1.00 0.00 C ATOM 916 CD PRO A 62 6.391 -2.591 8.887 1.00 0.00 C ATOM 0 HA PRO A 62 4.456 -0.234 7.735 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.206 0.126 10.387 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.117 -1.170 9.934 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.083 -1.281 10.445 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.836 -2.401 10.956 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.427 -2.919 8.807 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.771 -3.487 8.877 1.00 0.00 H new ATOM 924 N GLY A 63 5.656 1.850 7.612 1.00 0.00 N ATOM 925 CA GLY A 63 6.396 3.085 7.430 1.00 0.00 C ATOM 926 C GLY A 63 6.560 3.452 5.968 1.00 0.00 C ATOM 927 O GLY A 63 6.806 4.612 5.636 1.00 0.00 O ATOM 0 H GLY A 63 4.686 1.881 7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.881 3.893 7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.380 2.987 7.889 1.00 0.00 H new ATOM 931 N ASP A 64 6.426 2.462 5.093 1.00 0.00 N ATOM 932 CA ASP A 64 6.562 2.686 3.658 1.00 0.00 C ATOM 933 C ASP A 64 5.314 3.356 3.093 1.00 0.00 C ATOM 934 O ASP A 64 4.192 3.012 3.463 1.00 0.00 O ATOM 935 CB ASP A 64 6.818 1.363 2.936 1.00 0.00 C ATOM 936 CG ASP A 64 8.166 1.333 2.242 1.00 0.00 C ATOM 937 OD1 ASP A 64 8.579 2.381 1.704 1.00 0.00 O ATOM 938 OD2 ASP A 64 8.807 0.261 2.238 1.00 0.00 O ATOM 0 H ASP A 64 6.223 1.496 5.352 1.00 0.00 H new ATOM 0 HA ASP A 64 7.412 3.348 3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.764 0.544 3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.031 1.195 2.201 1.00 0.00 H new ATOM 943 N GLN A 65 5.518 4.314 2.195 1.00 0.00 N ATOM 944 CA GLN A 65 4.408 5.033 1.580 1.00 0.00 C ATOM 945 C GLN A 65 3.776 4.208 0.464 1.00 0.00 C ATOM 946 O GLN A 65 4.431 3.877 -0.526 1.00 0.00 O ATOM 947 CB GLN A 65 4.887 6.377 1.027 1.00 0.00 C ATOM 948 CG GLN A 65 3.808 7.448 1.015 1.00 0.00 C ATOM 949 CD GLN A 65 3.805 8.258 -0.267 1.00 0.00 C ATOM 950 OE1 GLN A 65 2.859 7.963 -1.152 1.00 0.00 O flip ATOM 951 NE2 GLN A 65 4.643 9.139 -0.461 1.00 0.00 N flip ATOM 0 H GLN A 65 6.441 4.610 1.877 1.00 0.00 H new ATOM 0 HA GLN A 65 3.654 5.211 2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.729 6.727 1.624 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.255 6.232 0.011 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.833 6.978 1.146 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.956 8.117 1.863 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.352 9.333 0.246 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.628 9.675 -1.329 1.00 0.00 H new ATOM 960 N LEU A 66 2.500 3.877 0.630 1.00 0.00 N ATOM 961 CA LEU A 66 1.779 3.089 -0.364 1.00 0.00 C ATOM 962 C LEU A 66 1.461 3.927 -1.598 1.00 0.00 C ATOM 963 O LEU A 66 1.513 5.156 -1.556 1.00 0.00 O ATOM 964 CB LEU A 66 0.486 2.535 0.237 1.00 0.00 C ATOM 965 CG LEU A 66 0.606 1.200 0.972 1.00 0.00 C ATOM 966 CD1 LEU A 66 -0.730 0.806 1.584 1.00 0.00 C ATOM 967 CD2 LEU A 66 1.103 0.114 0.029 1.00 0.00 C ATOM 0 H LEU A 66 1.944 4.142 1.443 1.00 0.00 H new ATOM 0 HA LEU A 66 2.418 2.259 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.085 3.274 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.244 2.421 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 66 1.332 1.314 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.626 -0.147 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.046 1.572 2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.477 0.710 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.182 -0.829 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.401 0.001 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.082 0.392 -0.362 1.00 0.00 H new ATOM 979 N VAL A 67 1.131 3.254 -2.695 1.00 0.00 N ATOM 980 CA VAL A 67 0.801 3.937 -3.941 1.00 0.00 C ATOM 981 C VAL A 67 -0.503 3.409 -4.528 1.00 0.00 C ATOM 982 O VAL A 67 -1.353 4.181 -4.971 1.00 0.00 O ATOM 983 CB VAL A 67 1.923 3.775 -4.983 1.00 0.00 C ATOM 984 CG1 VAL A 67 1.482 4.322 -6.332 1.00 0.00 C ATOM 985 CG2 VAL A 67 3.194 4.464 -4.509 1.00 0.00 C ATOM 0 H VAL A 67 1.085 2.236 -2.747 1.00 0.00 H new ATOM 0 HA VAL A 67 0.687 4.994 -3.702 1.00 0.00 H new ATOM 0 HB VAL A 67 2.135 2.712 -5.100 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.288 4.199 -7.056 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.601 3.779 -6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.241 5.380 -6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.976 4.339 -5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.999 5.526 -4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.519 4.021 -3.568 1.00 0.00 H new ATOM 995 N SER A 68 -0.654 2.088 -4.528 1.00 0.00 N ATOM 996 CA SER A 68 -1.854 1.456 -5.064 1.00 0.00 C ATOM 997 C SER A 68 -1.859 -0.040 -4.766 1.00 0.00 C ATOM 998 O SER A 68 -0.817 -0.695 -4.805 1.00 0.00 O ATOM 999 CB SER A 68 -1.947 1.688 -6.574 1.00 0.00 C ATOM 1000 OG SER A 68 -0.671 1.593 -7.183 1.00 0.00 O ATOM 0 H SER A 68 0.039 1.435 -4.163 1.00 0.00 H new ATOM 0 HA SER A 68 -2.720 1.908 -4.580 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.621 0.955 -7.017 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.374 2.672 -6.769 1.00 0.00 H new ATOM 0 HG SER A 68 -0.757 1.743 -8.148 1.00 0.00 H new ATOM 1006 N ILE A 69 -3.039 -0.573 -4.469 1.00 0.00 N ATOM 1007 CA ILE A 69 -3.181 -1.992 -4.165 1.00 0.00 C ATOM 1008 C ILE A 69 -3.929 -2.720 -5.277 1.00 0.00 C ATOM 1009 O ILE A 69 -5.003 -2.292 -5.700 1.00 0.00 O ATOM 1010 CB ILE A 69 -3.923 -2.211 -2.834 1.00 0.00 C ATOM 1011 CG1 ILE A 69 -3.110 -1.638 -1.671 1.00 0.00 C ATOM 1012 CG2 ILE A 69 -4.196 -3.692 -2.617 1.00 0.00 C ATOM 1013 CD1 ILE A 69 -2.166 -2.640 -1.043 1.00 0.00 C ATOM 0 H ILE A 69 -3.910 -0.044 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.173 -2.399 -4.081 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.878 -1.688 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.535 -0.783 -2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.794 -1.267 -0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.721 -3.831 -1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.811 -4.072 -3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.252 -4.236 -2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.623 -2.165 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.736 -3.485 -0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.458 -2.993 -1.793 1.00 0.00 H new ATOM 1025 N ASN A 70 -3.355 -3.823 -5.745 1.00 0.00 N ATOM 1026 CA ASN A 70 -3.969 -4.613 -6.807 1.00 0.00 C ATOM 1027 C ASN A 70 -4.115 -3.788 -8.082 1.00 0.00 C ATOM 1028 O ASN A 70 -3.359 -3.963 -9.038 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.338 -5.129 -6.361 1.00 0.00 C ATOM 1030 CG ASN A 70 -5.231 -6.325 -5.434 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -5.242 -6.180 -4.212 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -5.127 -7.515 -6.014 1.00 0.00 N ATOM 0 H ASN A 70 -2.466 -4.191 -5.406 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.319 -5.462 -7.017 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.878 -4.328 -5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.923 -5.404 -7.239 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.052 -8.356 -5.442 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.122 -7.588 -7.031 1.00 0.00 H new ATOM 1039 N LYS A 71 -5.091 -2.887 -8.090 1.00 0.00 N ATOM 1040 CA LYS A 71 -5.337 -2.033 -9.246 1.00 0.00 C ATOM 1041 C LYS A 71 -6.181 -0.823 -8.859 1.00 0.00 C ATOM 1042 O LYS A 71 -7.050 -0.394 -9.617 1.00 0.00 O ATOM 1043 CB LYS A 71 -6.038 -2.826 -10.351 1.00 0.00 C ATOM 1044 CG LYS A 71 -5.108 -3.261 -11.471 1.00 0.00 C ATOM 1045 CD LYS A 71 -5.885 -3.748 -12.683 1.00 0.00 C ATOM 1046 CE LYS A 71 -5.518 -2.962 -13.932 1.00 0.00 C ATOM 1047 NZ LYS A 71 -6.079 -3.584 -15.163 1.00 0.00 N ATOM 0 H LYS A 71 -5.726 -2.729 -7.307 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.375 -1.678 -9.616 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.504 -3.709 -9.913 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.839 -2.218 -10.771 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.468 -2.427 -11.759 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.453 -4.056 -11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.682 -4.807 -12.845 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.954 -3.654 -12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.888 -1.941 -13.840 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.433 -2.902 -14.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.807 -3.019 -15.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.707 -4.550 -15.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.116 -3.618 -15.093 1.00 0.00 H new ATOM 1061 N GLU A 72 -5.919 -0.279 -7.675 1.00 0.00 N ATOM 1062 CA GLU A 72 -6.656 0.882 -7.189 1.00 0.00 C ATOM 1063 C GLU A 72 -5.718 2.064 -6.958 1.00 0.00 C ATOM 1064 O GLU A 72 -4.519 1.980 -7.223 1.00 0.00 O ATOM 1065 CB GLU A 72 -7.393 0.541 -5.893 1.00 0.00 C ATOM 1066 CG GLU A 72 -8.755 -0.094 -6.116 1.00 0.00 C ATOM 1067 CD GLU A 72 -9.875 0.928 -6.162 1.00 0.00 C ATOM 1068 OE1 GLU A 72 -9.680 1.994 -6.782 1.00 0.00 O ATOM 1069 OE2 GLU A 72 -10.946 0.660 -5.579 1.00 0.00 O ATOM 0 H GLU A 72 -5.203 -0.623 -7.035 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.385 1.162 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.777 -0.138 -5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.517 1.451 -5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.742 -0.655 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.953 -0.809 -5.318 1.00 0.00 H new ATOM 1076 N SER A 73 -6.274 3.165 -6.462 1.00 0.00 N ATOM 1077 CA SER A 73 -5.490 4.365 -6.199 1.00 0.00 C ATOM 1078 C SER A 73 -5.527 4.725 -4.716 1.00 0.00 C ATOM 1079 O SER A 73 -6.567 4.619 -4.067 1.00 0.00 O ATOM 1080 CB SER A 73 -6.014 5.536 -7.032 1.00 0.00 C ATOM 1081 OG SER A 73 -4.951 6.236 -7.655 1.00 0.00 O ATOM 0 H SER A 73 -7.265 3.250 -6.234 1.00 0.00 H new ATOM 0 HA SER A 73 -4.457 4.162 -6.480 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.704 5.166 -7.791 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.577 6.217 -6.394 1.00 0.00 H new ATOM 0 HG SER A 73 -5.313 6.978 -8.183 1.00 0.00 H new ATOM 1087 N MET A 74 -4.384 5.150 -4.188 1.00 0.00 N ATOM 1088 CA MET A 74 -4.286 5.526 -2.782 1.00 0.00 C ATOM 1089 C MET A 74 -3.849 6.980 -2.638 1.00 0.00 C ATOM 1090 O MET A 74 -4.236 7.663 -1.690 1.00 0.00 O ATOM 1091 CB MET A 74 -3.300 4.610 -2.055 1.00 0.00 C ATOM 1092 CG MET A 74 -3.715 3.148 -2.055 1.00 0.00 C ATOM 1093 SD MET A 74 -5.262 2.865 -1.173 1.00 0.00 S ATOM 1094 CE MET A 74 -4.863 1.377 -0.259 1.00 0.00 C ATOM 0 H MET A 74 -3.514 5.243 -4.712 1.00 0.00 H new ATOM 0 HA MET A 74 -5.273 5.415 -2.332 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.320 4.701 -2.523 1.00 0.00 H new ATOM 0 HB3 MET A 74 -3.194 4.949 -1.025 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.820 2.804 -3.084 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.926 2.550 -1.598 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.710 0.692 -0.291 1.00 0.00 H new ATOM 0 HE2 MET A 74 -3.992 0.898 -0.706 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.644 1.634 0.777 1.00 0.00 H new ATOM 1104 N ILE A 75 -3.040 7.447 -3.584 1.00 0.00 N ATOM 1105 CA ILE A 75 -2.552 8.820 -3.562 1.00 0.00 C ATOM 1106 C ILE A 75 -3.699 9.809 -3.383 1.00 0.00 C ATOM 1107 O ILE A 75 -4.634 9.841 -4.182 1.00 0.00 O ATOM 1108 CB ILE A 75 -1.786 9.166 -4.852 1.00 0.00 C ATOM 1109 CG1 ILE A 75 -0.399 8.522 -4.836 1.00 0.00 C ATOM 1110 CG2 ILE A 75 -1.674 10.675 -5.013 1.00 0.00 C ATOM 1111 CD1 ILE A 75 -0.431 7.021 -4.655 1.00 0.00 C ATOM 0 H ILE A 75 -2.709 6.894 -4.375 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.872 8.899 -2.714 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.340 8.770 -5.703 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.112 8.756 -5.770 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.189 8.964 -4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.130 10.904 -5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.672 11.110 -5.065 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.140 11.093 -4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.588 6.633 -4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.913 6.779 -3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.991 6.568 -5.473 1.00 0.00 H new ATOM 1123 N GLY A 76 -3.620 10.616 -2.330 1.00 0.00 N ATOM 1124 CA GLY A 76 -4.657 11.596 -2.066 1.00 0.00 C ATOM 1125 C GLY A 76 -6.033 10.970 -1.958 1.00 0.00 C ATOM 1126 O GLY A 76 -6.978 11.414 -2.609 1.00 0.00 O ATOM 0 H GLY A 76 -2.856 10.609 -1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.427 12.123 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.661 12.340 -2.863 1.00 0.00 H new ATOM 1130 N VAL A 77 -6.146 9.933 -1.134 1.00 0.00 N ATOM 1131 CA VAL A 77 -7.416 9.243 -0.943 1.00 0.00 C ATOM 1132 C VAL A 77 -7.852 9.288 0.517 1.00 0.00 C ATOM 1133 O VAL A 77 -7.071 9.651 1.397 1.00 0.00 O ATOM 1134 CB VAL A 77 -7.331 7.774 -1.397 1.00 0.00 C ATOM 1135 CG1 VAL A 77 -6.931 6.878 -0.235 1.00 0.00 C ATOM 1136 CG2 VAL A 77 -8.655 7.324 -1.996 1.00 0.00 C ATOM 0 H VAL A 77 -5.373 9.552 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.153 9.762 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.564 7.694 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.876 5.844 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.957 7.187 0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.673 6.960 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.577 6.284 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.443 7.418 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.895 7.947 -2.857 1.00 0.00 H new ATOM 1146 N SER A 78 -9.103 8.917 0.767 1.00 0.00 N ATOM 1147 CA SER A 78 -9.644 8.918 2.121 1.00 0.00 C ATOM 1148 C SER A 78 -9.188 7.681 2.890 1.00 0.00 C ATOM 1149 O SER A 78 -9.205 6.568 2.363 1.00 0.00 O ATOM 1150 CB SER A 78 -11.173 8.973 2.082 1.00 0.00 C ATOM 1151 OG SER A 78 -11.644 10.274 2.386 1.00 0.00 O ATOM 0 H SER A 78 -9.761 8.612 0.050 1.00 0.00 H new ATOM 0 HA SER A 78 -9.268 9.803 2.635 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.526 8.677 1.094 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.584 8.258 2.795 1.00 0.00 H new ATOM 0 HG SER A 78 -12.623 10.283 2.353 1.00 0.00 H new ATOM 1157 N PHE A 79 -8.781 7.884 4.138 1.00 0.00 N ATOM 1158 CA PHE A 79 -8.319 6.787 4.980 1.00 0.00 C ATOM 1159 C PHE A 79 -9.216 5.563 4.819 1.00 0.00 C ATOM 1160 O PHE A 79 -8.744 4.475 4.492 1.00 0.00 O ATOM 1161 CB PHE A 79 -8.288 7.220 6.447 1.00 0.00 C ATOM 1162 CG PHE A 79 -7.977 6.099 7.397 1.00 0.00 C ATOM 1163 CD1 PHE A 79 -6.706 5.549 7.449 1.00 0.00 C ATOM 1164 CD2 PHE A 79 -8.956 5.594 8.238 1.00 0.00 C ATOM 1165 CE1 PHE A 79 -6.418 4.516 8.321 1.00 0.00 C ATOM 1166 CE2 PHE A 79 -8.674 4.562 9.113 1.00 0.00 C ATOM 1167 CZ PHE A 79 -7.403 4.023 9.155 1.00 0.00 C ATOM 0 H PHE A 79 -8.762 8.799 4.589 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.310 6.521 4.665 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.543 8.006 6.570 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.254 7.651 6.711 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.932 5.932 6.801 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.951 6.012 8.209 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.424 4.095 8.350 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.446 4.178 9.763 1.00 0.00 H new ATOM 0 HZ PHE A 79 -7.179 3.217 9.839 1.00 0.00 H new ATOM 1177 N GLU A 80 -10.511 5.751 5.051 1.00 0.00 N ATOM 1178 CA GLU A 80 -11.474 4.662 4.933 1.00 0.00 C ATOM 1179 C GLU A 80 -11.365 3.985 3.570 1.00 0.00 C ATOM 1180 O GLU A 80 -11.305 2.760 3.477 1.00 0.00 O ATOM 1181 CB GLU A 80 -12.896 5.184 5.144 1.00 0.00 C ATOM 1182 CG GLU A 80 -13.133 5.765 6.528 1.00 0.00 C ATOM 1183 CD GLU A 80 -14.463 6.485 6.639 1.00 0.00 C ATOM 1184 OE1 GLU A 80 -15.494 5.804 6.820 1.00 0.00 O ATOM 1185 OE2 GLU A 80 -14.472 7.730 6.544 1.00 0.00 O ATOM 0 H GLU A 80 -10.918 6.646 5.322 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.248 3.926 5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.107 5.949 4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.601 4.370 4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.095 4.963 7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.327 6.458 6.770 1.00 0.00 H new ATOM 1192 N GLU A 81 -11.342 4.793 2.515 1.00 0.00 N ATOM 1193 CA GLU A 81 -11.242 4.273 1.156 1.00 0.00 C ATOM 1194 C GLU A 81 -10.061 3.315 1.026 1.00 0.00 C ATOM 1195 O GLU A 81 -10.231 2.145 0.685 1.00 0.00 O ATOM 1196 CB GLU A 81 -11.094 5.421 0.156 1.00 0.00 C ATOM 1197 CG GLU A 81 -12.079 5.352 -0.999 1.00 0.00 C ATOM 1198 CD GLU A 81 -13.398 6.028 -0.682 1.00 0.00 C ATOM 1199 OE1 GLU A 81 -14.142 5.505 0.174 1.00 0.00 O ATOM 1200 OE2 GLU A 81 -13.688 7.080 -1.290 1.00 0.00 O ATOM 0 H GLU A 81 -11.391 5.810 2.575 1.00 0.00 H new ATOM 0 HA GLU A 81 -12.158 3.725 0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.227 6.368 0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.079 5.417 -0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.636 5.821 -1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.262 4.308 -1.254 1.00 0.00 H new ATOM 1207 N ALA A 82 -8.863 3.821 1.301 1.00 0.00 N ATOM 1208 CA ALA A 82 -7.654 3.012 1.216 1.00 0.00 C ATOM 1209 C ALA A 82 -7.814 1.704 1.984 1.00 0.00 C ATOM 1210 O ALA A 82 -7.490 0.630 1.476 1.00 0.00 O ATOM 1211 CB ALA A 82 -6.458 3.792 1.742 1.00 0.00 C ATOM 0 H ALA A 82 -8.704 4.788 1.585 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.482 2.769 0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.562 3.175 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.323 4.696 1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.631 4.065 2.783 1.00 0.00 H new ATOM 1217 N LYS A 83 -8.315 1.801 3.211 1.00 0.00 N ATOM 1218 CA LYS A 83 -8.519 0.626 4.050 1.00 0.00 C ATOM 1219 C LYS A 83 -9.696 -0.203 3.548 1.00 0.00 C ATOM 1220 O LYS A 83 -9.843 -1.371 3.908 1.00 0.00 O ATOM 1221 CB LYS A 83 -8.759 1.046 5.502 1.00 0.00 C ATOM 1222 CG LYS A 83 -8.493 -0.061 6.507 1.00 0.00 C ATOM 1223 CD LYS A 83 -8.112 0.501 7.867 1.00 0.00 C ATOM 1224 CE LYS A 83 -8.222 -0.555 8.956 1.00 0.00 C ATOM 1225 NZ LYS A 83 -9.307 -0.240 9.927 1.00 0.00 N ATOM 0 H LYS A 83 -8.587 2.682 3.647 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.619 0.014 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.121 1.898 5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.790 1.382 5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.381 -0.685 6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.692 -0.702 6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.092 0.884 7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.760 1.343 8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.413 -1.527 8.501 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.272 -0.631 9.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.350 -0.983 10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.112 0.676 10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.218 -0.192 9.427 1.00 0.00 H new ATOM 1239 N SER A 84 -10.531 0.407 2.713 1.00 0.00 N ATOM 1240 CA SER A 84 -11.697 -0.275 2.163 1.00 0.00 C ATOM 1241 C SER A 84 -11.314 -1.108 0.943 1.00 0.00 C ATOM 1242 O SER A 84 -11.814 -2.217 0.754 1.00 0.00 O ATOM 1243 CB SER A 84 -12.776 0.741 1.782 1.00 0.00 C ATOM 1244 OG SER A 84 -14.040 0.116 1.646 1.00 0.00 O ATOM 0 H SER A 84 -10.422 1.372 2.402 1.00 0.00 H new ATOM 0 HA SER A 84 -12.091 -0.943 2.929 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.832 1.519 2.543 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.506 1.229 0.846 1.00 0.00 H new ATOM 0 HG SER A 84 -14.712 0.787 1.404 1.00 0.00 H new ATOM 1250 N ILE A 85 -10.423 -0.565 0.120 1.00 0.00 N ATOM 1251 CA ILE A 85 -9.972 -1.257 -1.081 1.00 0.00 C ATOM 1252 C ILE A 85 -9.336 -2.600 -0.735 1.00 0.00 C ATOM 1253 O ILE A 85 -9.580 -3.604 -1.404 1.00 0.00 O ATOM 1254 CB ILE A 85 -8.958 -0.410 -1.872 1.00 0.00 C ATOM 1255 CG1 ILE A 85 -9.654 0.795 -2.509 1.00 0.00 C ATOM 1256 CG2 ILE A 85 -8.275 -1.258 -2.935 1.00 0.00 C ATOM 1257 CD1 ILE A 85 -8.778 2.026 -2.587 1.00 0.00 C ATOM 0 H ILE A 85 -9.999 0.352 0.263 1.00 0.00 H new ATOM 0 HA ILE A 85 -10.854 -1.423 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.197 -0.043 -1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.980 0.527 -3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.550 1.032 -1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.561 -0.646 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.751 -2.086 -2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.023 -1.651 -3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.336 2.841 -3.049 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.472 2.319 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.894 1.806 -3.186 1.00 0.00 H new ATOM 1269 N ILE A 86 -8.522 -2.609 0.315 1.00 0.00 N ATOM 1270 CA ILE A 86 -7.854 -3.829 0.752 1.00 0.00 C ATOM 1271 C ILE A 86 -8.865 -4.921 1.085 1.00 0.00 C ATOM 1272 O ILE A 86 -8.735 -6.061 0.638 1.00 0.00 O ATOM 1273 CB ILE A 86 -6.966 -3.574 1.984 1.00 0.00 C ATOM 1274 CG1 ILE A 86 -6.072 -2.354 1.752 1.00 0.00 C ATOM 1275 CG2 ILE A 86 -6.124 -4.803 2.294 1.00 0.00 C ATOM 1276 CD1 ILE A 86 -4.952 -2.225 2.761 1.00 0.00 C ATOM 0 H ILE A 86 -8.309 -1.786 0.879 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.227 -4.159 -0.076 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.609 -3.372 2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.644 -2.413 0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.685 -1.453 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.502 -4.607 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.778 -5.651 2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.488 -5.033 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.359 -1.339 2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.373 -2.135 3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.316 -3.109 2.713 1.00 0.00 H new ATOM 1288 N THR A 87 -9.875 -4.564 1.872 1.00 0.00 N ATOM 1289 CA THR A 87 -10.910 -5.512 2.265 1.00 0.00 C ATOM 1290 C THR A 87 -11.897 -5.752 1.128 1.00 0.00 C ATOM 1291 O THR A 87 -12.654 -6.723 1.145 1.00 0.00 O ATOM 1292 CB THR A 87 -11.682 -5.021 3.504 1.00 0.00 C ATOM 1293 OG1 THR A 87 -12.727 -5.944 3.829 1.00 0.00 O ATOM 1294 CG2 THR A 87 -12.274 -3.641 3.261 1.00 0.00 C ATOM 0 H THR A 87 -9.998 -3.625 2.250 1.00 0.00 H new ATOM 0 HA THR A 87 -10.405 -6.447 2.508 1.00 0.00 H new ATOM 0 HB THR A 87 -10.983 -4.957 4.338 1.00 0.00 H new ATOM 0 HG1 THR A 87 -12.959 -6.468 3.034 1.00 0.00 H new ATOM 0 HG21 THR A 87 -12.814 -3.315 4.150 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.473 -2.934 3.044 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.960 -3.683 2.415 1.00 0.00 H new ATOM 1302 N ARG A 88 -11.882 -4.862 0.141 1.00 0.00 N ATOM 1303 CA ARG A 88 -12.777 -4.977 -1.004 1.00 0.00 C ATOM 1304 C ARG A 88 -12.139 -5.813 -2.110 1.00 0.00 C ATOM 1305 O ARG A 88 -12.816 -6.250 -3.040 1.00 0.00 O ATOM 1306 CB ARG A 88 -13.134 -3.590 -1.541 1.00 0.00 C ATOM 1307 CG ARG A 88 -14.197 -2.876 -0.722 1.00 0.00 C ATOM 1308 CD ARG A 88 -14.360 -1.429 -1.161 1.00 0.00 C ATOM 1309 NE ARG A 88 -15.764 -1.064 -1.334 1.00 0.00 N ATOM 1310 CZ ARG A 88 -16.165 0.032 -1.968 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -15.274 0.865 -2.488 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -17.461 0.295 -2.084 1.00 0.00 N ATOM 0 H ARG A 88 -11.260 -4.054 0.111 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.688 -5.476 -0.673 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.233 -2.976 -1.566 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.483 -3.686 -2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.148 -3.398 -0.825 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.928 -2.909 0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.903 -0.772 -0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.827 -1.272 -2.099 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.475 -1.685 -0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.278 0.665 -2.402 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.585 1.706 -2.974 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -18.149 -0.345 -1.686 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.769 1.137 -2.571 1.00 0.00 H new ATOM 1326 N ALA A 89 -10.833 -6.031 -2.001 1.00 0.00 N ATOM 1327 CA ALA A 89 -10.104 -6.815 -2.991 1.00 0.00 C ATOM 1328 C ALA A 89 -10.835 -8.116 -3.307 1.00 0.00 C ATOM 1329 O ALA A 89 -11.770 -8.502 -2.605 1.00 0.00 O ATOM 1330 CB ALA A 89 -8.694 -7.107 -2.499 1.00 0.00 C ATOM 0 H ALA A 89 -10.258 -5.676 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.043 -6.230 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.161 -7.693 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.166 -6.169 -2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.743 -7.669 -1.566 1.00 0.00 H new ATOM 1427 N SER A 95 -3.698 -15.049 -9.138 1.00 0.00 N ATOM 1428 CA SER A 95 -2.671 -14.014 -9.179 1.00 0.00 C ATOM 1429 C SER A 95 -2.384 -13.477 -7.781 1.00 0.00 C ATOM 1430 O SER A 95 -3.278 -13.339 -6.945 1.00 0.00 O ATOM 1431 CB SER A 95 -3.106 -12.871 -10.098 1.00 0.00 C ATOM 1432 OG SER A 95 -4.488 -12.594 -9.948 1.00 0.00 O ATOM 0 HA SER A 95 -1.757 -14.459 -9.572 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.526 -11.977 -9.871 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.895 -13.133 -11.135 1.00 0.00 H new ATOM 0 HG SER A 95 -4.935 -13.368 -9.546 1.00 0.00 H new ATOM 1438 N PRO A 96 -1.106 -13.167 -7.518 1.00 0.00 N ATOM 1439 CA PRO A 96 -0.670 -12.639 -6.221 1.00 0.00 C ATOM 1440 C PRO A 96 -1.168 -11.219 -5.976 1.00 0.00 C ATOM 1441 O PRO A 96 -1.950 -10.682 -6.760 1.00 0.00 O ATOM 1442 CB PRO A 96 0.857 -12.660 -6.325 1.00 0.00 C ATOM 1443 CG PRO A 96 1.139 -12.578 -7.786 1.00 0.00 C ATOM 1444 CD PRO A 96 0.012 -13.306 -8.466 1.00 0.00 C ATOM 0 HA PRO A 96 -1.062 -13.225 -5.390 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.302 -11.822 -5.788 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.271 -13.571 -5.893 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.189 -11.540 -8.116 1.00 0.00 H new ATOM 0 HG3 PRO A 96 2.099 -13.035 -8.025 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.225 -12.865 -9.434 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.260 -14.352 -8.645 1.00 0.00 H new ATOM 1452 N TRP A 97 -0.709 -10.616 -4.886 1.00 0.00 N ATOM 1453 CA TRP A 97 -1.108 -9.257 -4.538 1.00 0.00 C ATOM 1454 C TRP A 97 -0.141 -8.238 -5.130 1.00 0.00 C ATOM 1455 O TRP A 97 1.075 -8.404 -5.049 1.00 0.00 O ATOM 1456 CB TRP A 97 -1.173 -9.095 -3.019 1.00 0.00 C ATOM 1457 CG TRP A 97 -2.304 -9.849 -2.388 1.00 0.00 C ATOM 1458 CD1 TRP A 97 -2.207 -10.908 -1.533 1.00 0.00 C ATOM 1459 CD2 TRP A 97 -3.703 -9.601 -2.566 1.00 0.00 C ATOM 1460 NE1 TRP A 97 -3.462 -11.334 -1.168 1.00 0.00 N ATOM 1461 CE2 TRP A 97 -4.396 -10.548 -1.788 1.00 0.00 C ATOM 1462 CE3 TRP A 97 -4.438 -8.670 -3.306 1.00 0.00 C ATOM 1463 CZ2 TRP A 97 -5.787 -10.590 -1.730 1.00 0.00 C ATOM 1464 CZ3 TRP A 97 -5.818 -8.713 -3.248 1.00 0.00 C ATOM 1465 CH2 TRP A 97 -6.481 -9.667 -2.464 1.00 0.00 C ATOM 0 H TRP A 97 -0.060 -11.046 -4.227 1.00 0.00 H new ATOM 0 HA TRP A 97 -2.098 -9.077 -4.957 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -0.233 -9.434 -2.584 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -1.272 -8.037 -2.778 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -1.281 -11.347 -1.193 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.665 -12.110 -0.538 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.936 -7.930 -3.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.300 -11.325 -1.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -6.396 -7.999 -3.817 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -7.561 -9.674 -2.439 1.00 0.00 H new ATOM 1476 N GLU A 98 -0.690 -7.183 -5.724 1.00 0.00 N ATOM 1477 CA GLU A 98 0.126 -6.137 -6.330 1.00 0.00 C ATOM 1478 C GLU A 98 0.282 -4.951 -5.382 1.00 0.00 C ATOM 1479 O GLU A 98 -0.643 -4.158 -5.207 1.00 0.00 O ATOM 1480 CB GLU A 98 -0.497 -5.672 -7.648 1.00 0.00 C ATOM 1481 CG GLU A 98 0.481 -4.953 -8.562 1.00 0.00 C ATOM 1482 CD GLU A 98 0.666 -5.660 -9.890 1.00 0.00 C ATOM 1483 OE1 GLU A 98 -0.109 -5.377 -10.828 1.00 0.00 O ATOM 1484 OE2 GLU A 98 1.587 -6.498 -9.992 1.00 0.00 O ATOM 0 H GLU A 98 -1.696 -7.030 -5.799 1.00 0.00 H new ATOM 0 HA GLU A 98 1.114 -6.553 -6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.904 -6.536 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.334 -5.008 -7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.126 -3.938 -8.741 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.446 -4.869 -8.062 1.00 0.00 H new ATOM 1491 N ILE A 99 1.458 -4.838 -4.774 1.00 0.00 N ATOM 1492 CA ILE A 99 1.736 -3.750 -3.845 1.00 0.00 C ATOM 1493 C ILE A 99 2.709 -2.744 -4.451 1.00 0.00 C ATOM 1494 O ILE A 99 3.860 -3.073 -4.735 1.00 0.00 O ATOM 1495 CB ILE A 99 2.318 -4.276 -2.519 1.00 0.00 C ATOM 1496 CG1 ILE A 99 1.760 -5.666 -2.207 1.00 0.00 C ATOM 1497 CG2 ILE A 99 2.012 -3.309 -1.386 1.00 0.00 C ATOM 1498 CD1 ILE A 99 0.252 -5.697 -2.085 1.00 0.00 C ATOM 0 H ILE A 99 2.234 -5.487 -4.908 1.00 0.00 H new ATOM 0 HA ILE A 99 0.785 -3.256 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 99 3.400 -4.355 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.067 -6.357 -2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.199 -6.025 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 99 2.430 -3.694 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.454 -2.338 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.932 -3.201 -1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.074 -6.713 -1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.062 -5.031 -1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.196 -5.369 -3.023 1.00 0.00 H new ATOM 1510 N ALA A 100 2.238 -1.517 -4.645 1.00 0.00 N ATOM 1511 CA ALA A 100 3.067 -0.462 -5.214 1.00 0.00 C ATOM 1512 C ALA A 100 3.362 0.622 -4.181 1.00 0.00 C ATOM 1513 O ALA A 100 2.448 1.173 -3.567 1.00 0.00 O ATOM 1514 CB ALA A 100 2.389 0.141 -6.435 1.00 0.00 C ATOM 0 H ALA A 100 1.287 -1.229 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 100 4.015 -0.904 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.019 0.928 -6.850 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.235 -0.634 -7.186 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.426 0.562 -6.146 1.00 0.00 H new ATOM 1520 N PHE A 101 4.643 0.922 -3.995 1.00 0.00 N ATOM 1521 CA PHE A 101 5.058 1.938 -3.035 1.00 0.00 C ATOM 1522 C PHE A 101 6.354 2.610 -3.480 1.00 0.00 C ATOM 1523 O PHE A 101 6.852 2.354 -4.577 1.00 0.00 O ATOM 1524 CB PHE A 101 5.242 1.316 -1.649 1.00 0.00 C ATOM 1525 CG PHE A 101 6.218 0.174 -1.630 1.00 0.00 C ATOM 1526 CD1 PHE A 101 5.937 -1.005 -2.300 1.00 0.00 C ATOM 1527 CD2 PHE A 101 7.415 0.280 -0.940 1.00 0.00 C ATOM 1528 CE1 PHE A 101 6.833 -2.058 -2.285 1.00 0.00 C ATOM 1529 CE2 PHE A 101 8.314 -0.769 -0.922 1.00 0.00 C ATOM 1530 CZ PHE A 101 8.022 -1.940 -1.594 1.00 0.00 C ATOM 0 H PHE A 101 5.411 0.476 -4.496 1.00 0.00 H new ATOM 0 HA PHE A 101 4.276 2.695 -2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.582 2.086 -0.956 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.276 0.964 -1.286 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.007 -1.103 -2.841 1.00 0.00 H new ATOM 0 HD2 PHE A 101 7.648 1.192 -0.411 1.00 0.00 H new ATOM 0 HE1 PHE A 101 6.603 -2.971 -2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 101 9.245 -0.673 -0.383 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.723 -2.762 -1.579 1.00 0.00 H new ATOM 1540 N ILE A 102 6.892 3.469 -2.623 1.00 0.00 N ATOM 1541 CA ILE A 102 8.130 4.177 -2.927 1.00 0.00 C ATOM 1542 C ILE A 102 9.211 3.861 -1.898 1.00 0.00 C ATOM 1543 O ILE A 102 9.079 4.196 -0.721 1.00 0.00 O ATOM 1544 CB ILE A 102 7.910 5.701 -2.973 1.00 0.00 C ATOM 1545 CG1 ILE A 102 6.946 6.065 -4.103 1.00 0.00 C ATOM 1546 CG2 ILE A 102 9.238 6.422 -3.149 1.00 0.00 C ATOM 1547 CD1 ILE A 102 5.569 6.461 -3.619 1.00 0.00 C ATOM 0 H ILE A 102 6.491 3.692 -1.712 1.00 0.00 H new ATOM 0 HA ILE A 102 8.456 3.835 -3.909 1.00 0.00 H new ATOM 0 HB ILE A 102 7.469 6.019 -2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.370 6.887 -4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.854 5.215 -4.779 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.067 7.498 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.895 6.183 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.705 6.102 -4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.939 6.706 -4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.125 5.633 -3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.649 7.331 -2.967 1.00 0.00 H new ATOM 1559 N ARG A 103 10.281 3.216 -2.352 1.00 0.00 N ATOM 1560 CA ARG A 103 11.385 2.856 -1.471 1.00 0.00 C ATOM 1561 C ARG A 103 12.569 3.799 -1.670 1.00 0.00 C ATOM 1562 O ARG A 103 13.205 3.799 -2.724 1.00 0.00 O ATOM 1563 CB ARG A 103 11.821 1.412 -1.729 1.00 0.00 C ATOM 1564 CG ARG A 103 13.192 1.080 -1.164 1.00 0.00 C ATOM 1565 CD ARG A 103 13.159 0.973 0.353 1.00 0.00 C ATOM 1566 NE ARG A 103 12.368 -0.169 0.804 1.00 0.00 N ATOM 1567 CZ ARG A 103 12.397 -0.637 2.047 1.00 0.00 C ATOM 1568 NH1 ARG A 103 13.172 -0.064 2.957 1.00 0.00 N ATOM 1569 NH2 ARG A 103 11.648 -1.680 2.381 1.00 0.00 N ATOM 0 H ARG A 103 10.406 2.932 -3.324 1.00 0.00 H new ATOM 0 HA ARG A 103 11.040 2.946 -0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.085 0.736 -1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.826 1.229 -2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.544 0.140 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.905 1.850 -1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.177 0.881 0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.744 1.890 0.772 1.00 0.00 H new ATOM 0 HE ARG A 103 11.761 -0.632 0.128 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.748 0.739 2.704 1.00 0.00 H new ATOM 0 HH12 ARG A 103 13.192 -0.426 3.911 1.00 0.00 H new ATOM 0 HH21 ARG A 103 11.050 -2.123 1.683 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.670 -2.039 3.335 1.00 0.00 H new