USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 449 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 22 HIS : no HD1:sc= -2.28 X(o=-2.3,f=-2.3!) USER MOD Set 1.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -147:sc= 0 (180deg=-1.02) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.57 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.0839 X(o=-0.084,f=-0.084) USER MOD Single : A 30 ASN : amide:sc= 0.191 X(o=0.19,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 79:sc= 1.28 USER MOD Single : A 41 GLN : amide:sc= 0.176 X(o=0.18,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -55:sc= 1.18 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -125:sc=-0.00233 (180deg=-1.51!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -126:sc= -0.521 (180deg=-2.03!) USER MOD ----------------------------------------------------------------- ATOM 129 N PRO A 11 -1.134 0.299 -5.968 1.00 0.00 N ATOM 130 CA PRO A 11 -0.968 1.439 -5.062 1.00 0.00 C ATOM 131 C PRO A 11 -1.019 2.775 -5.794 1.00 0.00 C ATOM 132 O PRO A 11 -0.328 2.972 -6.793 1.00 0.00 O ATOM 133 CB PRO A 11 0.420 1.213 -4.458 1.00 0.00 C ATOM 134 CG PRO A 11 1.146 0.398 -5.473 1.00 0.00 C ATOM 135 CD PRO A 11 0.108 -0.476 -6.121 1.00 0.00 C ATOM 0 HA PRO A 11 -1.767 1.491 -4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.929 2.158 -4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.356 0.691 -3.503 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.634 1.036 -6.210 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.926 -0.203 -5.006 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.338 -0.663 -7.170 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.038 -1.447 -5.632 1.00 0.00 H new ATOM 143 N MET A 12 -1.842 3.689 -5.291 1.00 0.00 N ATOM 144 CA MET A 12 -1.981 5.008 -5.898 1.00 0.00 C ATOM 145 C MET A 12 -0.618 5.665 -6.091 1.00 0.00 C ATOM 146 O MET A 12 0.217 5.661 -5.186 1.00 0.00 O ATOM 147 CB MET A 12 -2.872 5.900 -5.032 1.00 0.00 C ATOM 148 CG MET A 12 -2.417 5.992 -3.585 1.00 0.00 C ATOM 149 SD MET A 12 -3.764 6.394 -2.457 1.00 0.00 S ATOM 150 CE MET A 12 -4.295 7.974 -3.112 1.00 0.00 C ATOM 0 H MET A 12 -2.422 3.541 -4.465 1.00 0.00 H new ATOM 0 HA MET A 12 -2.445 4.883 -6.876 1.00 0.00 H new ATOM 0 HB2 MET A 12 -2.896 6.902 -5.461 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.892 5.517 -5.060 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.970 5.043 -3.288 1.00 0.00 H new ATOM 0 HG3 MET A 12 -1.639 6.751 -3.501 1.00 0.00 H new ATOM 0 HE1 MET A 12 -4.648 8.606 -2.297 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.457 8.461 -3.612 1.00 0.00 H new ATOM 0 HE3 MET A 12 -5.103 7.819 -3.827 1.00 0.00 H new ATOM 160 N SER A 13 -0.399 6.227 -7.275 1.00 0.00 N ATOM 161 CA SER A 13 0.865 6.884 -7.587 1.00 0.00 C ATOM 162 C SER A 13 0.901 8.296 -7.010 1.00 0.00 C ATOM 163 O SER A 13 -0.140 8.893 -6.736 1.00 0.00 O ATOM 164 CB SER A 13 1.078 6.934 -9.101 1.00 0.00 C ATOM 165 OG SER A 13 1.475 5.669 -9.602 1.00 0.00 O ATOM 0 H SER A 13 -1.080 6.241 -8.034 1.00 0.00 H new ATOM 0 HA SER A 13 1.669 6.304 -7.133 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.157 7.250 -9.591 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.838 7.678 -9.340 1.00 0.00 H new ATOM 0 HG SER A 13 1.603 5.727 -10.572 1.00 0.00 H new ATOM 171 N ALA A 14 2.106 8.825 -6.829 1.00 0.00 N ATOM 172 CA ALA A 14 2.279 10.167 -6.288 1.00 0.00 C ATOM 173 C ALA A 14 1.223 11.121 -6.837 1.00 0.00 C ATOM 174 O ALA A 14 0.542 11.811 -6.079 1.00 0.00 O ATOM 175 CB ALA A 14 3.675 10.686 -6.598 1.00 0.00 C ATOM 0 H ALA A 14 2.978 8.344 -7.049 1.00 0.00 H new ATOM 0 HA ALA A 14 2.156 10.114 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.790 11.689 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.417 10.024 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.820 10.717 -7.678 1.00 0.00 H new ATOM 181 N SER A 15 1.094 11.154 -8.159 1.00 0.00 N ATOM 182 CA SER A 15 0.124 12.027 -8.811 1.00 0.00 C ATOM 183 C SER A 15 -1.219 11.982 -8.087 1.00 0.00 C ATOM 184 O SER A 15 -1.768 13.017 -7.710 1.00 0.00 O ATOM 185 CB SER A 15 -0.059 11.620 -10.274 1.00 0.00 C ATOM 186 OG SER A 15 -0.965 10.537 -10.393 1.00 0.00 O ATOM 0 H SER A 15 1.649 10.587 -8.800 1.00 0.00 H new ATOM 0 HA SER A 15 0.506 13.047 -8.771 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.427 12.471 -10.848 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.905 11.341 -10.700 1.00 0.00 H new ATOM 0 HG SER A 15 -1.066 10.297 -11.338 1.00 0.00 H new ATOM 192 N ALA A 16 -1.742 10.775 -7.898 1.00 0.00 N ATOM 193 CA ALA A 16 -3.019 10.594 -7.218 1.00 0.00 C ATOM 194 C ALA A 16 -2.962 11.129 -5.792 1.00 0.00 C ATOM 195 O ALA A 16 -3.866 11.838 -5.348 1.00 0.00 O ATOM 196 CB ALA A 16 -3.412 9.124 -7.218 1.00 0.00 C ATOM 0 H ALA A 16 -1.301 9.908 -8.206 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.776 11.161 -7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.367 9.003 -6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.503 8.772 -8.245 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.648 8.543 -6.701 1.00 0.00 H new ATOM 202 N LEU A 17 -1.896 10.785 -5.078 1.00 0.00 N ATOM 203 CA LEU A 17 -1.722 11.231 -3.699 1.00 0.00 C ATOM 204 C LEU A 17 -1.941 12.736 -3.582 1.00 0.00 C ATOM 205 O LEU A 17 -2.841 13.190 -2.875 1.00 0.00 O ATOM 206 CB LEU A 17 -0.324 10.866 -3.198 1.00 0.00 C ATOM 207 CG LEU A 17 0.006 9.374 -3.155 1.00 0.00 C ATOM 208 CD1 LEU A 17 1.511 9.162 -3.099 1.00 0.00 C ATOM 209 CD2 LEU A 17 -0.672 8.711 -1.965 1.00 0.00 C ATOM 0 H LEU A 17 -1.139 10.199 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.465 10.726 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.409 11.361 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.202 11.274 -2.195 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.372 8.912 -4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.727 8.094 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.973 9.601 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.913 9.639 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.426 7.649 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.325 9.176 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.752 8.832 -2.048 1.00 0.00 H new ATOM 221 N PHE A 18 -1.114 13.505 -4.282 1.00 0.00 N ATOM 222 CA PHE A 18 -1.217 14.959 -4.257 1.00 0.00 C ATOM 223 C PHE A 18 -2.672 15.403 -4.377 1.00 0.00 C ATOM 224 O PHE A 18 -3.156 16.203 -3.576 1.00 0.00 O ATOM 225 CB PHE A 18 -0.392 15.570 -5.392 1.00 0.00 C ATOM 226 CG PHE A 18 -0.552 17.058 -5.517 1.00 0.00 C ATOM 227 CD1 PHE A 18 0.198 17.917 -4.730 1.00 0.00 C ATOM 228 CD2 PHE A 18 -1.453 17.597 -6.420 1.00 0.00 C ATOM 229 CE1 PHE A 18 0.052 19.287 -4.842 1.00 0.00 C ATOM 230 CE2 PHE A 18 -1.604 18.967 -6.537 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.849 19.812 -5.748 1.00 0.00 C ATOM 0 H PHE A 18 -0.365 13.145 -4.874 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.825 15.309 -3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.661 15.338 -5.230 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.681 15.101 -6.333 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.905 17.512 -4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.045 16.940 -7.040 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.642 19.946 -4.222 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.311 19.375 -7.244 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.963 20.882 -5.839 1.00 0.00 H new ATOM 241 N VAL A 19 -3.365 14.877 -5.382 1.00 0.00 N ATOM 242 CA VAL A 19 -4.764 15.218 -5.607 1.00 0.00 C ATOM 243 C VAL A 19 -5.574 15.091 -4.321 1.00 0.00 C ATOM 244 O VAL A 19 -6.395 15.952 -4.007 1.00 0.00 O ATOM 245 CB VAL A 19 -5.394 14.319 -6.688 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.871 14.641 -6.856 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.652 14.474 -8.007 1.00 0.00 C ATOM 0 H VAL A 19 -2.980 14.213 -6.053 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.787 16.253 -5.947 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.308 13.280 -6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.299 13.996 -7.624 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.389 14.474 -5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.985 15.684 -7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.110 13.832 -8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.705 15.512 -8.335 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.609 14.189 -7.873 1.00 0.00 H new ATOM 257 N GLN A 20 -5.336 14.012 -3.582 1.00 0.00 N ATOM 258 CA GLN A 20 -6.044 13.773 -2.330 1.00 0.00 C ATOM 259 C GLN A 20 -5.529 14.694 -1.229 1.00 0.00 C ATOM 260 O GLN A 20 -6.290 15.134 -0.368 1.00 0.00 O ATOM 261 CB GLN A 20 -5.889 12.313 -1.903 1.00 0.00 C ATOM 262 CG GLN A 20 -6.435 12.024 -0.514 1.00 0.00 C ATOM 263 CD GLN A 20 -5.826 10.781 0.105 1.00 0.00 C ATOM 264 OE1 GLN A 20 -6.408 9.698 0.052 1.00 0.00 O ATOM 265 NE2 GLN A 20 -4.647 10.932 0.698 1.00 0.00 N ATOM 0 H GLN A 20 -4.659 13.290 -3.828 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.100 13.987 -2.493 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.400 11.676 -2.625 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.833 12.045 -1.932 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.242 12.879 0.133 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.517 11.904 -0.571 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.200 11.849 0.718 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.189 10.131 1.133 1.00 0.00 H new ATOM 274 N ASP A 21 -4.232 14.982 -1.263 1.00 0.00 N ATOM 275 CA ASP A 21 -3.615 15.852 -0.269 1.00 0.00 C ATOM 276 C ASP A 21 -4.283 17.223 -0.257 1.00 0.00 C ATOM 277 O ASP A 21 -4.557 17.783 0.805 1.00 0.00 O ATOM 278 CB ASP A 21 -2.119 16.001 -0.549 1.00 0.00 C ATOM 279 CG ASP A 21 -1.341 14.741 -0.225 1.00 0.00 C ATOM 280 OD1 ASP A 21 -1.208 13.879 -1.118 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.863 14.618 0.922 1.00 0.00 O ATOM 0 H ASP A 21 -3.588 14.625 -1.969 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.749 15.395 0.711 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.972 16.255 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.723 16.830 0.038 1.00 0.00 H new ATOM 286 N HIS A 22 -4.542 17.760 -1.446 1.00 0.00 N ATOM 287 CA HIS A 22 -5.177 19.067 -1.572 1.00 0.00 C ATOM 288 C HIS A 22 -6.590 18.932 -2.133 1.00 0.00 C ATOM 289 O HIS A 22 -7.177 19.907 -2.602 1.00 0.00 O ATOM 290 CB HIS A 22 -4.343 19.977 -2.474 1.00 0.00 C ATOM 291 CG HIS A 22 -2.880 19.959 -2.154 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.248 20.972 -1.464 1.00 0.00 N ATOM 293 CD2 HIS A 22 -1.924 19.043 -2.434 1.00 0.00 C ATOM 294 CE1 HIS A 22 -0.966 20.680 -1.333 1.00 0.00 C ATOM 295 NE2 HIS A 22 -0.744 19.514 -1.913 1.00 0.00 N ATOM 0 H HIS A 22 -4.322 17.310 -2.335 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.240 19.511 -0.579 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.483 19.674 -3.512 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.713 20.999 -2.387 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.063 18.115 -2.968 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.226 21.290 -0.837 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.158 19.040 -1.965 1.00 0.00 H new ATOM 304 N ARG A 23 -7.129 17.718 -2.080 1.00 0.00 N ATOM 305 CA ARG A 23 -8.471 17.456 -2.584 1.00 0.00 C ATOM 306 C ARG A 23 -9.516 18.212 -1.768 1.00 0.00 C ATOM 307 O ARG A 23 -10.264 19.041 -2.286 1.00 0.00 O ATOM 308 CB ARG A 23 -8.769 15.956 -2.548 1.00 0.00 C ATOM 309 CG ARG A 23 -10.228 15.631 -2.277 1.00 0.00 C ATOM 310 CD ARG A 23 -10.466 14.129 -2.233 1.00 0.00 C ATOM 311 NE ARG A 23 -11.873 13.792 -2.428 1.00 0.00 N ATOM 312 CZ ARG A 23 -12.362 12.565 -2.282 1.00 0.00 C ATOM 313 NH1 ARG A 23 -11.560 11.565 -1.942 1.00 0.00 N ATOM 314 NH2 ARG A 23 -13.654 12.337 -2.477 1.00 0.00 N ATOM 0 H ARG A 23 -6.657 16.901 -1.693 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.518 17.805 -3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.478 15.514 -3.501 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.153 15.490 -1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.531 16.076 -1.329 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.851 16.077 -3.052 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.867 13.644 -3.004 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.129 13.737 -1.274 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.516 14.539 -2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.566 11.737 -1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.937 10.624 -1.830 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.273 13.104 -2.739 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.028 11.395 -2.365 1.00 0.00 H new ATOM 328 N PRO A 24 -9.569 17.920 -0.460 1.00 0.00 N ATOM 329 CA PRO A 24 -10.518 18.561 0.456 1.00 0.00 C ATOM 330 C PRO A 24 -10.188 20.031 0.697 1.00 0.00 C ATOM 331 O PRO A 24 -11.057 20.896 0.590 1.00 0.00 O ATOM 332 CB PRO A 24 -10.359 17.759 1.750 1.00 0.00 C ATOM 333 CG PRO A 24 -8.980 17.200 1.683 1.00 0.00 C ATOM 334 CD PRO A 24 -8.708 16.943 0.226 1.00 0.00 C ATOM 0 HA PRO A 24 -11.533 18.558 0.059 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.487 18.394 2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.104 16.967 1.819 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.255 17.900 2.098 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.903 16.280 2.263 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.656 17.093 -0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.958 15.920 -0.055 1.00 0.00 H new ATOM 342 N GLN A 25 -8.929 20.304 1.022 1.00 0.00 N ATOM 343 CA GLN A 25 -8.486 21.670 1.278 1.00 0.00 C ATOM 344 C GLN A 25 -9.095 22.638 0.269 1.00 0.00 C ATOM 345 O GLN A 25 -9.604 23.696 0.639 1.00 0.00 O ATOM 346 CB GLN A 25 -6.959 21.752 1.224 1.00 0.00 C ATOM 347 CG GLN A 25 -6.408 23.109 1.631 1.00 0.00 C ATOM 348 CD GLN A 25 -6.735 23.464 3.068 1.00 0.00 C ATOM 349 OE1 GLN A 25 -6.196 22.873 4.004 1.00 0.00 O ATOM 350 NE2 GLN A 25 -7.622 24.435 3.251 1.00 0.00 N ATOM 0 H GLN A 25 -8.198 19.599 1.114 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.823 21.954 2.275 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.539 20.988 1.878 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.627 21.523 0.211 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.326 23.113 1.497 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.814 23.875 0.970 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.044 24.898 2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.881 24.718 4.196 1.00 0.00 H new ATOM 359 N PHE A 26 -9.039 22.269 -1.006 1.00 0.00 N ATOM 360 CA PHE A 26 -9.584 23.105 -2.069 1.00 0.00 C ATOM 361 C PHE A 26 -11.067 23.381 -1.837 1.00 0.00 C ATOM 362 O PHE A 26 -11.507 24.532 -1.856 1.00 0.00 O ATOM 363 CB PHE A 26 -9.385 22.433 -3.429 1.00 0.00 C ATOM 364 CG PHE A 26 -9.763 23.308 -4.590 1.00 0.00 C ATOM 365 CD1 PHE A 26 -11.091 23.613 -4.842 1.00 0.00 C ATOM 366 CD2 PHE A 26 -8.790 23.824 -5.430 1.00 0.00 C ATOM 367 CE1 PHE A 26 -11.441 24.416 -5.910 1.00 0.00 C ATOM 368 CE2 PHE A 26 -9.134 24.629 -6.500 1.00 0.00 C ATOM 369 CZ PHE A 26 -10.461 24.926 -6.740 1.00 0.00 C ATOM 0 H PHE A 26 -8.621 21.396 -1.328 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.050 24.055 -2.060 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.340 22.139 -3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.978 21.519 -3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.861 23.218 -4.196 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.751 23.595 -5.247 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.480 24.645 -6.096 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.366 25.025 -7.147 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.732 25.556 -7.575 1.00 0.00 H new ATOM 379 N LEU A 27 -11.833 22.318 -1.619 1.00 0.00 N ATOM 380 CA LEU A 27 -13.267 22.444 -1.384 1.00 0.00 C ATOM 381 C LEU A 27 -13.543 23.262 -0.126 1.00 0.00 C ATOM 382 O LEU A 27 -14.214 24.294 -0.180 1.00 0.00 O ATOM 383 CB LEU A 27 -13.907 21.060 -1.256 1.00 0.00 C ATOM 384 CG LEU A 27 -13.983 20.236 -2.542 1.00 0.00 C ATOM 385 CD1 LEU A 27 -13.961 18.749 -2.224 1.00 0.00 C ATOM 386 CD2 LEU A 27 -15.233 20.595 -3.332 1.00 0.00 C ATOM 0 H LEU A 27 -11.485 21.359 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.705 22.963 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.347 20.490 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.918 21.183 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.111 20.470 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.016 18.178 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.038 18.503 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.814 18.499 -1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.271 19.999 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.117 20.390 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.208 21.653 -3.591 1.00 0.00 H new ATOM 398 N ILE A 28 -13.020 22.796 1.003 1.00 0.00 N ATOM 399 CA ILE A 28 -13.208 23.487 2.273 1.00 0.00 C ATOM 400 C ILE A 28 -13.250 24.998 2.076 1.00 0.00 C ATOM 401 O ILE A 28 -14.164 25.670 2.553 1.00 0.00 O ATOM 402 CB ILE A 28 -12.088 23.142 3.272 1.00 0.00 C ATOM 403 CG1 ILE A 28 -12.088 21.642 3.574 1.00 0.00 C ATOM 404 CG2 ILE A 28 -12.254 23.945 4.553 1.00 0.00 C ATOM 405 CD1 ILE A 28 -10.941 21.203 4.457 1.00 0.00 C ATOM 0 H ILE A 28 -12.463 21.944 1.064 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.162 23.149 2.678 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.129 23.404 2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -13.029 21.377 4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.044 21.091 2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.455 23.690 5.249 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.209 25.010 4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.218 23.712 5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.005 20.129 4.629 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.995 21.437 3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.995 21.727 5.411 1.00 0.00 H new ATOM 417 N GLU A 29 -12.255 25.525 1.369 1.00 0.00 N ATOM 418 CA GLU A 29 -12.180 26.958 1.108 1.00 0.00 C ATOM 419 C GLU A 29 -13.241 27.383 0.096 1.00 0.00 C ATOM 420 O GLU A 29 -13.884 28.420 0.254 1.00 0.00 O ATOM 421 CB GLU A 29 -10.789 27.333 0.593 1.00 0.00 C ATOM 422 CG GLU A 29 -9.765 27.531 1.698 1.00 0.00 C ATOM 423 CD GLU A 29 -8.588 28.379 1.256 1.00 0.00 C ATOM 424 OE1 GLU A 29 -7.682 27.837 0.589 1.00 0.00 O ATOM 425 OE2 GLU A 29 -8.572 29.586 1.579 1.00 0.00 O ATOM 0 H GLU A 29 -11.491 24.982 0.967 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.366 27.482 2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.437 26.552 -0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.862 28.250 0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.247 28.003 2.555 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.403 26.559 2.031 1.00 0.00 H new ATOM 432 N ASN A 30 -13.415 26.575 -0.944 1.00 0.00 N ATOM 433 CA ASN A 30 -14.396 26.867 -1.983 1.00 0.00 C ATOM 434 C ASN A 30 -15.402 25.728 -2.117 1.00 0.00 C ATOM 435 O ASN A 30 -15.298 24.875 -2.998 1.00 0.00 O ATOM 436 CB ASN A 30 -13.696 27.103 -3.323 1.00 0.00 C ATOM 437 CG ASN A 30 -12.476 27.994 -3.188 1.00 0.00 C ATOM 438 OD1 ASN A 30 -12.581 29.220 -3.238 1.00 0.00 O ATOM 439 ND2 ASN A 30 -11.311 27.381 -3.018 1.00 0.00 N ATOM 0 H ASN A 30 -12.890 25.713 -1.090 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.933 27.771 -1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.398 26.145 -3.748 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.399 27.557 -4.022 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.456 27.929 -2.923 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.271 26.362 -2.983 1.00 0.00 H new ATOM 446 N PRO A 31 -16.402 25.713 -1.222 1.00 0.00 N ATOM 447 CA PRO A 31 -17.447 24.686 -1.220 1.00 0.00 C ATOM 448 C PRO A 31 -18.387 24.813 -2.414 1.00 0.00 C ATOM 449 O PRO A 31 -19.253 23.965 -2.628 1.00 0.00 O ATOM 450 CB PRO A 31 -18.202 24.951 0.085 1.00 0.00 C ATOM 451 CG PRO A 31 -17.966 26.393 0.373 1.00 0.00 C ATOM 452 CD PRO A 31 -16.588 26.699 -0.144 1.00 0.00 C ATOM 0 HA PRO A 31 -17.031 23.681 -1.292 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.265 24.738 -0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.830 24.320 0.892 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.714 27.016 -0.117 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.035 26.594 1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.516 27.721 -0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.833 26.590 0.635 1.00 0.00 H new ATOM 460 N LYS A 32 -18.211 25.877 -3.189 1.00 0.00 N ATOM 461 CA LYS A 32 -19.042 26.115 -4.363 1.00 0.00 C ATOM 462 C LYS A 32 -18.546 25.302 -5.555 1.00 0.00 C ATOM 463 O LYS A 32 -19.255 25.141 -6.549 1.00 0.00 O ATOM 464 CB LYS A 32 -19.048 27.604 -4.716 1.00 0.00 C ATOM 465 CG LYS A 32 -17.677 28.151 -5.071 1.00 0.00 C ATOM 466 CD LYS A 32 -17.651 29.670 -5.018 1.00 0.00 C ATOM 467 CE LYS A 32 -18.037 30.281 -6.356 1.00 0.00 C ATOM 468 NZ LYS A 32 -17.870 31.761 -6.359 1.00 0.00 N ATOM 0 H LYS A 32 -17.499 26.589 -3.025 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.058 25.799 -4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -19.723 27.767 -5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -19.447 28.167 -3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.934 27.749 -4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -17.398 27.816 -6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -18.336 30.020 -4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -16.654 30.008 -4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -17.424 29.845 -7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -19.074 30.032 -6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -18.143 32.139 -7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -18.474 32.180 -5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.876 31.999 -6.167 1.00 0.00 H new ATOM 482 N THR A 33 -17.324 24.790 -5.449 1.00 0.00 N ATOM 483 CA THR A 33 -16.733 23.993 -6.517 1.00 0.00 C ATOM 484 C THR A 33 -16.903 22.502 -6.248 1.00 0.00 C ATOM 485 O THR A 33 -16.451 21.991 -5.223 1.00 0.00 O ATOM 486 CB THR A 33 -15.235 24.306 -6.688 1.00 0.00 C ATOM 487 OG1 THR A 33 -15.053 25.701 -6.955 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.637 23.485 -7.820 1.00 0.00 C ATOM 0 H THR A 33 -16.724 24.913 -4.634 1.00 0.00 H new ATOM 0 HA THR A 33 -17.258 24.255 -7.436 1.00 0.00 H new ATOM 0 HB THR A 33 -14.724 24.045 -5.762 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.098 25.892 -7.061 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.578 23.723 -7.922 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.751 22.424 -7.599 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.153 23.719 -8.751 1.00 0.00 H new ATOM 496 N SER A 34 -17.555 21.809 -7.176 1.00 0.00 N ATOM 497 CA SER A 34 -17.786 20.376 -7.038 1.00 0.00 C ATOM 498 C SER A 34 -16.464 19.618 -6.955 1.00 0.00 C ATOM 499 O SER A 34 -15.393 20.190 -7.162 1.00 0.00 O ATOM 500 CB SER A 34 -18.613 19.855 -8.215 1.00 0.00 C ATOM 501 OG SER A 34 -19.232 18.621 -7.897 1.00 0.00 O ATOM 0 H SER A 34 -17.933 22.217 -8.031 1.00 0.00 H new ATOM 0 HA SER A 34 -18.339 20.210 -6.113 1.00 0.00 H new ATOM 0 HB2 SER A 34 -19.374 20.589 -8.482 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.971 19.729 -9.087 1.00 0.00 H new ATOM 0 HG SER A 34 -19.756 18.310 -8.665 1.00 0.00 H new ATOM 507 N LEU A 35 -16.548 18.327 -6.652 1.00 0.00 N ATOM 508 CA LEU A 35 -15.360 17.489 -6.541 1.00 0.00 C ATOM 509 C LEU A 35 -14.631 17.399 -7.878 1.00 0.00 C ATOM 510 O LEU A 35 -13.415 17.578 -7.945 1.00 0.00 O ATOM 511 CB LEU A 35 -15.743 16.088 -6.061 1.00 0.00 C ATOM 512 CG LEU A 35 -15.775 15.882 -4.547 1.00 0.00 C ATOM 513 CD1 LEU A 35 -16.781 14.804 -4.175 1.00 0.00 C ATOM 514 CD2 LEU A 35 -14.390 15.524 -4.027 1.00 0.00 C ATOM 0 H LEU A 35 -17.426 17.838 -6.479 1.00 0.00 H new ATOM 0 HA LEU A 35 -14.690 17.945 -5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -16.727 15.845 -6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.040 15.374 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 35 -16.086 16.817 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -16.789 14.672 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -17.774 15.101 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -16.502 13.865 -4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.432 15.381 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.050 14.604 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.694 16.331 -4.259 1.00 0.00 H new ATOM 526 N GLU A 36 -15.382 17.123 -8.939 1.00 0.00 N ATOM 527 CA GLU A 36 -14.806 17.012 -10.274 1.00 0.00 C ATOM 528 C GLU A 36 -14.151 18.324 -10.695 1.00 0.00 C ATOM 529 O GLU A 36 -13.043 18.332 -11.232 1.00 0.00 O ATOM 530 CB GLU A 36 -15.884 16.619 -11.287 1.00 0.00 C ATOM 531 CG GLU A 36 -17.096 17.534 -11.272 1.00 0.00 C ATOM 532 CD GLU A 36 -18.267 16.964 -12.048 1.00 0.00 C ATOM 533 OE1 GLU A 36 -18.036 16.110 -12.929 1.00 0.00 O ATOM 534 OE2 GLU A 36 -19.415 17.373 -11.774 1.00 0.00 O ATOM 0 H GLU A 36 -16.390 16.972 -8.900 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.041 16.236 -10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.450 16.622 -12.287 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.207 15.598 -11.083 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.400 17.711 -10.240 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.822 18.501 -11.694 1.00 0.00 H new ATOM 541 N ASP A 37 -14.844 19.430 -10.449 1.00 0.00 N ATOM 542 CA ASP A 37 -14.330 20.749 -10.801 1.00 0.00 C ATOM 543 C ASP A 37 -13.086 21.084 -9.984 1.00 0.00 C ATOM 544 O ASP A 37 -12.090 21.566 -10.521 1.00 0.00 O ATOM 545 CB ASP A 37 -15.404 21.814 -10.579 1.00 0.00 C ATOM 546 CG ASP A 37 -14.962 23.188 -11.043 1.00 0.00 C ATOM 547 OD1 ASP A 37 -13.741 23.395 -11.203 1.00 0.00 O ATOM 548 OD2 ASP A 37 -15.837 24.056 -11.246 1.00 0.00 O ATOM 0 H ASP A 37 -15.763 19.440 -10.007 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.056 20.735 -11.856 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.311 21.528 -11.112 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.657 21.855 -9.520 1.00 0.00 H new ATOM 553 N ALA A 38 -13.153 20.825 -8.682 1.00 0.00 N ATOM 554 CA ALA A 38 -12.033 21.099 -7.790 1.00 0.00 C ATOM 555 C ALA A 38 -10.808 20.278 -8.180 1.00 0.00 C ATOM 556 O ALA A 38 -9.713 20.816 -8.344 1.00 0.00 O ATOM 557 CB ALA A 38 -12.425 20.814 -6.348 1.00 0.00 C ATOM 0 H ALA A 38 -13.971 20.426 -8.222 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.776 22.154 -7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.579 21.023 -5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.266 21.448 -6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.711 19.767 -6.249 1.00 0.00 H new ATOM 563 N THR A 39 -11.000 18.970 -8.325 1.00 0.00 N ATOM 564 CA THR A 39 -9.911 18.074 -8.694 1.00 0.00 C ATOM 565 C THR A 39 -9.378 18.400 -10.084 1.00 0.00 C ATOM 566 O THR A 39 -8.166 18.466 -10.295 1.00 0.00 O ATOM 567 CB THR A 39 -10.360 16.601 -8.660 1.00 0.00 C ATOM 568 OG1 THR A 39 -11.088 16.338 -7.455 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.162 15.668 -8.748 1.00 0.00 C ATOM 0 H THR A 39 -11.900 18.508 -8.192 1.00 0.00 H new ATOM 0 HA THR A 39 -9.118 18.221 -7.961 1.00 0.00 H new ATOM 0 HB THR A 39 -11.005 16.421 -9.520 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.006 16.667 -7.549 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.504 14.633 -8.722 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.627 15.850 -9.680 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.496 15.851 -7.905 1.00 0.00 H new ATOM 577 N LEU A 40 -10.289 18.602 -11.029 1.00 0.00 N ATOM 578 CA LEU A 40 -9.909 18.922 -12.401 1.00 0.00 C ATOM 579 C LEU A 40 -8.781 19.949 -12.429 1.00 0.00 C ATOM 580 O LEU A 40 -7.912 19.905 -13.299 1.00 0.00 O ATOM 581 CB LEU A 40 -11.118 19.454 -13.174 1.00 0.00 C ATOM 582 CG LEU A 40 -11.984 18.404 -13.871 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.299 19.015 -14.328 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.239 17.794 -15.049 1.00 0.00 C ATOM 0 H LEU A 40 -11.295 18.550 -10.871 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.554 18.008 -12.877 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.748 20.015 -12.483 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.762 20.159 -13.925 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.204 17.611 -13.157 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.902 18.253 -14.822 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.840 19.402 -13.465 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.099 19.828 -15.026 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.871 17.049 -15.533 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.987 18.576 -15.765 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.324 17.319 -14.694 1.00 0.00 H new ATOM 596 N GLN A 41 -8.802 20.870 -11.471 1.00 0.00 N ATOM 597 CA GLN A 41 -7.780 21.906 -11.386 1.00 0.00 C ATOM 598 C GLN A 41 -6.535 21.385 -10.675 1.00 0.00 C ATOM 599 O GLN A 41 -5.411 21.628 -11.114 1.00 0.00 O ATOM 600 CB GLN A 41 -8.326 23.131 -10.651 1.00 0.00 C ATOM 601 CG GLN A 41 -9.296 23.956 -11.482 1.00 0.00 C ATOM 602 CD GLN A 41 -9.974 25.047 -10.676 1.00 0.00 C ATOM 603 OE1 GLN A 41 -9.312 25.854 -10.022 1.00 0.00 O ATOM 604 NE2 GLN A 41 -11.301 25.077 -10.718 1.00 0.00 N ATOM 0 H GLN A 41 -9.515 20.920 -10.743 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.504 22.193 -12.401 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.828 22.804 -9.740 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.492 23.763 -10.347 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.760 24.407 -12.318 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.055 23.299 -11.907 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.809 24.389 -11.273 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.812 25.788 -10.195 1.00 0.00 H new ATOM 613 N ILE A 42 -6.744 20.669 -9.575 1.00 0.00 N ATOM 614 CA ILE A 42 -5.638 20.114 -8.804 1.00 0.00 C ATOM 615 C ILE A 42 -4.769 19.206 -9.666 1.00 0.00 C ATOM 616 O ILE A 42 -3.547 19.183 -9.524 1.00 0.00 O ATOM 617 CB ILE A 42 -6.145 19.318 -7.587 1.00 0.00 C ATOM 618 CG1 ILE A 42 -7.034 20.199 -6.708 1.00 0.00 C ATOM 619 CG2 ILE A 42 -4.972 18.772 -6.786 1.00 0.00 C ATOM 620 CD1 ILE A 42 -7.840 19.420 -5.691 1.00 0.00 C ATOM 0 H ILE A 42 -7.668 20.460 -9.198 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.042 20.957 -8.454 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.740 18.477 -7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.410 20.925 -6.186 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.715 20.763 -7.345 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.346 18.212 -5.929 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.375 18.114 -7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.353 19.599 -6.437 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.447 20.109 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.490 18.713 -6.206 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.164 18.877 -5.030 1.00 0.00 H new ATOM 632 N GLU A 43 -5.408 18.459 -10.562 1.00 0.00 N ATOM 633 CA GLU A 43 -4.692 17.549 -11.448 1.00 0.00 C ATOM 634 C GLU A 43 -3.717 18.313 -12.340 1.00 0.00 C ATOM 635 O GLU A 43 -2.507 18.101 -12.278 1.00 0.00 O ATOM 636 CB GLU A 43 -5.678 16.760 -12.310 1.00 0.00 C ATOM 637 CG GLU A 43 -6.170 15.480 -11.656 1.00 0.00 C ATOM 638 CD GLU A 43 -5.217 14.318 -11.857 1.00 0.00 C ATOM 639 OE1 GLU A 43 -4.600 14.238 -12.939 1.00 0.00 O ATOM 640 OE2 GLU A 43 -5.088 13.489 -10.932 1.00 0.00 O ATOM 0 H GLU A 43 -6.420 18.467 -10.693 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.124 16.853 -10.830 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.535 17.394 -12.539 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.201 16.513 -13.259 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.307 15.652 -10.588 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.146 15.219 -12.065 1.00 0.00 H new ATOM 647 N GLU A 44 -4.256 19.202 -13.169 1.00 0.00 N ATOM 648 CA GLU A 44 -3.434 19.996 -14.075 1.00 0.00 C ATOM 649 C GLU A 44 -2.379 20.784 -13.303 1.00 0.00 C ATOM 650 O GLU A 44 -1.302 21.076 -13.823 1.00 0.00 O ATOM 651 CB GLU A 44 -4.310 20.954 -14.886 1.00 0.00 C ATOM 652 CG GLU A 44 -5.022 21.994 -14.038 1.00 0.00 C ATOM 653 CD GLU A 44 -5.626 23.110 -14.868 1.00 0.00 C ATOM 654 OE1 GLU A 44 -4.885 23.731 -15.658 1.00 0.00 O ATOM 655 OE2 GLU A 44 -6.841 23.361 -14.728 1.00 0.00 O ATOM 0 H GLU A 44 -5.257 19.390 -13.232 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.926 19.314 -14.757 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.690 21.462 -15.625 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.052 20.376 -15.436 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.809 21.509 -13.460 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.317 22.419 -13.323 1.00 0.00 H new ATOM 662 N LEU A 45 -2.698 21.126 -12.059 1.00 0.00 N ATOM 663 CA LEU A 45 -1.779 21.881 -11.215 1.00 0.00 C ATOM 664 C LEU A 45 -0.585 21.024 -10.807 1.00 0.00 C ATOM 665 O LEU A 45 0.527 21.527 -10.645 1.00 0.00 O ATOM 666 CB LEU A 45 -2.504 22.392 -9.968 1.00 0.00 C ATOM 667 CG LEU A 45 -1.641 22.583 -8.721 1.00 0.00 C ATOM 668 CD1 LEU A 45 -0.628 23.697 -8.937 1.00 0.00 C ATOM 669 CD2 LEU A 45 -2.512 22.880 -7.509 1.00 0.00 C ATOM 0 H LEU A 45 -3.585 20.893 -11.613 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.413 22.732 -11.790 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.973 23.346 -10.210 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.306 21.694 -9.727 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.097 21.657 -8.535 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.023 23.818 -8.038 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.018 23.444 -9.778 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.152 24.629 -9.150 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.880 23.013 -6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.084 23.791 -7.686 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.197 22.049 -7.341 1.00 0.00 H new ATOM 681 N TRP A 46 -0.823 19.727 -10.645 1.00 0.00 N ATOM 682 CA TRP A 46 0.234 18.799 -10.258 1.00 0.00 C ATOM 683 C TRP A 46 1.196 18.556 -11.416 1.00 0.00 C ATOM 684 O TRP A 46 2.396 18.375 -11.211 1.00 0.00 O ATOM 685 CB TRP A 46 -0.369 17.473 -9.793 1.00 0.00 C ATOM 686 CG TRP A 46 0.583 16.320 -9.893 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.695 15.438 -10.930 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.554 15.923 -8.919 1.00 0.00 C ATOM 689 NE1 TRP A 46 1.678 14.517 -10.659 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.221 14.793 -9.432 1.00 0.00 C ATOM 691 CE3 TRP A 46 1.927 16.413 -7.665 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.237 14.148 -8.733 1.00 0.00 C ATOM 693 CZ3 TRP A 46 2.936 15.771 -6.972 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.582 14.649 -7.507 1.00 0.00 C ATOM 0 H TRP A 46 -1.738 19.294 -10.775 1.00 0.00 H new ATOM 0 HA TRP A 46 0.792 19.245 -9.435 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.698 17.575 -8.759 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.255 17.256 -10.390 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.099 15.461 -11.830 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.958 13.752 -11.272 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.436 17.278 -7.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 3.736 13.282 -9.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.231 16.141 -6.001 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.367 14.170 -6.941 1.00 0.00 H new ATOM 705 N LYS A 47 0.662 18.554 -12.632 1.00 0.00 N ATOM 706 CA LYS A 47 1.473 18.335 -13.824 1.00 0.00 C ATOM 707 C LYS A 47 2.355 19.545 -14.112 1.00 0.00 C ATOM 708 O LYS A 47 3.315 19.459 -14.878 1.00 0.00 O ATOM 709 CB LYS A 47 0.576 18.045 -15.030 1.00 0.00 C ATOM 710 CG LYS A 47 0.253 16.572 -15.208 1.00 0.00 C ATOM 711 CD LYS A 47 -1.007 16.373 -16.034 1.00 0.00 C ATOM 712 CE LYS A 47 -2.254 16.389 -15.163 1.00 0.00 C ATOM 713 NZ LYS A 47 -3.456 16.828 -15.924 1.00 0.00 N ATOM 0 H LYS A 47 -0.330 18.702 -12.819 1.00 0.00 H new ATOM 0 HA LYS A 47 2.116 17.474 -13.642 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.355 18.602 -14.922 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.065 18.413 -15.932 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.090 16.071 -15.694 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.126 16.106 -14.231 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.078 17.158 -16.786 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.947 15.425 -16.568 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.426 15.392 -14.756 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.097 17.056 -14.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.285 16.826 -15.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.303 17.789 -16.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.621 16.177 -16.718 1.00 0.00 H new ATOM 727 N THR A 48 2.023 20.674 -13.493 1.00 0.00 N ATOM 728 CA THR A 48 2.785 21.902 -13.683 1.00 0.00 C ATOM 729 C THR A 48 3.460 22.336 -12.386 1.00 0.00 C ATOM 730 O THR A 48 3.790 23.510 -12.209 1.00 0.00 O ATOM 731 CB THR A 48 1.888 23.047 -14.190 1.00 0.00 C ATOM 732 OG1 THR A 48 2.675 24.222 -14.417 1.00 0.00 O ATOM 733 CG2 THR A 48 0.786 23.355 -13.189 1.00 0.00 C ATOM 0 H THR A 48 1.231 20.763 -12.856 1.00 0.00 H new ATOM 0 HA THR A 48 3.547 21.689 -14.433 1.00 0.00 H new ATOM 0 HB THR A 48 1.428 22.731 -15.127 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.171 24.446 -13.602 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.166 24.167 -13.569 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.171 22.467 -13.040 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.230 23.652 -12.239 1.00 0.00 H new ATOM 741 N LEU A 49 3.663 21.384 -11.483 1.00 0.00 N ATOM 742 CA LEU A 49 4.300 21.668 -10.202 1.00 0.00 C ATOM 743 C LEU A 49 5.806 21.837 -10.368 1.00 0.00 C ATOM 744 O LEU A 49 6.329 21.774 -11.481 1.00 0.00 O ATOM 745 CB LEU A 49 4.008 20.545 -9.204 1.00 0.00 C ATOM 746 CG LEU A 49 2.750 20.715 -8.352 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.461 19.444 -7.569 1.00 0.00 C ATOM 748 CD2 LEU A 49 2.899 21.901 -7.411 1.00 0.00 C ATOM 0 H LEU A 49 3.396 20.408 -11.614 1.00 0.00 H new ATOM 0 HA LEU A 49 3.888 22.602 -9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.925 19.608 -9.755 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.864 20.447 -8.537 1.00 0.00 H new ATOM 0 HG LEU A 49 1.908 20.908 -9.016 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.562 19.583 -6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.310 18.616 -8.262 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.304 19.220 -6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.994 22.007 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.752 21.738 -6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.057 22.809 -7.993 1.00 0.00 H new ATOM 760 N SER A 50 6.499 22.051 -9.254 1.00 0.00 N ATOM 761 CA SER A 50 7.946 22.231 -9.277 1.00 0.00 C ATOM 762 C SER A 50 8.661 20.883 -9.296 1.00 0.00 C ATOM 763 O SER A 50 8.103 19.867 -8.883 1.00 0.00 O ATOM 764 CB SER A 50 8.399 23.043 -8.062 1.00 0.00 C ATOM 765 OG SER A 50 9.667 23.635 -8.289 1.00 0.00 O ATOM 0 H SER A 50 6.082 22.104 -8.325 1.00 0.00 H new ATOM 0 HA SER A 50 8.205 22.774 -10.186 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.665 23.819 -7.845 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.447 22.396 -7.186 1.00 0.00 H new ATOM 0 HG SER A 50 9.934 24.150 -7.499 1.00 0.00 H new ATOM 771 N GLU A 51 9.899 20.883 -9.780 1.00 0.00 N ATOM 772 CA GLU A 51 10.690 19.661 -9.854 1.00 0.00 C ATOM 773 C GLU A 51 10.783 18.988 -8.488 1.00 0.00 C ATOM 774 O GLU A 51 10.403 17.829 -8.328 1.00 0.00 O ATOM 775 CB GLU A 51 12.094 19.966 -10.381 1.00 0.00 C ATOM 776 CG GLU A 51 12.783 18.766 -11.008 1.00 0.00 C ATOM 777 CD GLU A 51 13.818 19.163 -12.043 1.00 0.00 C ATOM 778 OE1 GLU A 51 14.916 19.606 -11.646 1.00 0.00 O ATOM 779 OE2 GLU A 51 13.529 19.030 -13.251 1.00 0.00 O ATOM 0 H GLU A 51 10.375 21.716 -10.127 1.00 0.00 H new ATOM 0 HA GLU A 51 10.192 18.979 -10.542 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.030 20.765 -11.120 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.708 20.339 -9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.263 18.178 -10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.035 18.125 -11.475 1.00 0.00 H new ATOM 786 N GLU A 52 11.291 19.726 -7.505 1.00 0.00 N ATOM 787 CA GLU A 52 11.435 19.201 -6.153 1.00 0.00 C ATOM 788 C GLU A 52 10.091 18.724 -5.608 1.00 0.00 C ATOM 789 O GLU A 52 9.958 17.581 -5.171 1.00 0.00 O ATOM 790 CB GLU A 52 12.023 20.268 -5.227 1.00 0.00 C ATOM 791 CG GLU A 52 11.214 21.554 -5.191 1.00 0.00 C ATOM 792 CD GLU A 52 12.007 22.726 -4.645 1.00 0.00 C ATOM 793 OE1 GLU A 52 13.185 22.876 -5.032 1.00 0.00 O ATOM 794 OE2 GLU A 52 11.451 23.492 -3.831 1.00 0.00 O ATOM 0 H GLU A 52 11.609 20.688 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 52 12.115 18.350 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.092 19.863 -4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.039 20.496 -5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.869 21.791 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.326 21.403 -4.577 1.00 0.00 H new ATOM 801 N GLU A 53 9.099 19.608 -5.638 1.00 0.00 N ATOM 802 CA GLU A 53 7.767 19.278 -5.147 1.00 0.00 C ATOM 803 C GLU A 53 7.327 17.905 -5.647 1.00 0.00 C ATOM 804 O GLU A 53 6.792 17.097 -4.888 1.00 0.00 O ATOM 805 CB GLU A 53 6.758 20.341 -5.588 1.00 0.00 C ATOM 806 CG GLU A 53 5.428 20.257 -4.859 1.00 0.00 C ATOM 807 CD GLU A 53 5.516 20.747 -3.427 1.00 0.00 C ATOM 808 OE1 GLU A 53 6.073 21.842 -3.206 1.00 0.00 O ATOM 809 OE2 GLU A 53 5.026 20.034 -2.526 1.00 0.00 O ATOM 0 H GLU A 53 9.193 20.558 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 53 7.805 19.254 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.190 21.329 -5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.583 20.241 -6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.686 20.847 -5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.079 19.224 -4.865 1.00 0.00 H new ATOM 816 N LYS A 54 7.557 17.648 -6.931 1.00 0.00 N ATOM 817 CA LYS A 54 7.186 16.374 -7.535 1.00 0.00 C ATOM 818 C LYS A 54 8.058 15.243 -6.997 1.00 0.00 C ATOM 819 O LYS A 54 7.636 14.086 -6.957 1.00 0.00 O ATOM 820 CB LYS A 54 7.315 16.452 -9.058 1.00 0.00 C ATOM 821 CG LYS A 54 6.105 17.066 -9.740 1.00 0.00 C ATOM 822 CD LYS A 54 6.056 16.710 -11.216 1.00 0.00 C ATOM 823 CE LYS A 54 4.682 16.982 -11.810 1.00 0.00 C ATOM 824 NZ LYS A 54 4.526 16.361 -13.154 1.00 0.00 N ATOM 0 H LYS A 54 7.999 18.306 -7.573 1.00 0.00 H new ATOM 0 HA LYS A 54 6.148 16.165 -7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.199 17.037 -9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.474 15.448 -9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.195 16.718 -9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.134 18.150 -9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.807 17.287 -11.756 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.308 15.658 -11.346 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.914 16.596 -11.140 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.526 18.058 -11.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.247 17.089 -13.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.429 15.936 -13.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.793 15.624 -13.113 1.00 0.00 H new ATOM 838 N LEU A 55 9.273 15.584 -6.584 1.00 0.00 N ATOM 839 CA LEU A 55 10.204 14.598 -6.047 1.00 0.00 C ATOM 840 C LEU A 55 9.803 14.183 -4.635 1.00 0.00 C ATOM 841 O LEU A 55 9.883 13.008 -4.275 1.00 0.00 O ATOM 842 CB LEU A 55 11.626 15.160 -6.041 1.00 0.00 C ATOM 843 CG LEU A 55 12.453 14.908 -7.303 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.700 13.419 -7.490 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.756 15.492 -8.523 1.00 0.00 C ATOM 0 H LEU A 55 9.637 16.536 -6.611 1.00 0.00 H new ATOM 0 HA LEU A 55 10.171 13.717 -6.688 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.569 16.236 -5.877 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.159 14.736 -5.190 1.00 0.00 H new ATOM 0 HG LEU A 55 13.417 15.404 -7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.290 13.259 -8.393 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.242 13.029 -6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.746 12.901 -7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.359 15.303 -9.411 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.778 15.025 -8.642 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.631 16.567 -8.391 1.00 0.00 H new ATOM 857 N LYS A 56 9.369 15.154 -3.840 1.00 0.00 N ATOM 858 CA LYS A 56 8.951 14.891 -2.468 1.00 0.00 C ATOM 859 C LYS A 56 7.854 13.831 -2.427 1.00 0.00 C ATOM 860 O LYS A 56 7.831 12.983 -1.535 1.00 0.00 O ATOM 861 CB LYS A 56 8.455 16.179 -1.808 1.00 0.00 C ATOM 862 CG LYS A 56 9.548 16.961 -1.101 1.00 0.00 C ATOM 863 CD LYS A 56 10.273 17.894 -2.056 1.00 0.00 C ATOM 864 CE LYS A 56 11.351 18.695 -1.342 1.00 0.00 C ATOM 865 NZ LYS A 56 10.786 19.875 -0.630 1.00 0.00 N ATOM 0 H LYS A 56 9.297 16.132 -4.122 1.00 0.00 H new ATOM 0 HA LYS A 56 9.814 14.517 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.999 16.814 -2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.674 15.931 -1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.114 17.539 -0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.262 16.268 -0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.723 17.314 -2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.556 18.575 -2.515 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.867 18.053 -0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.094 19.029 -2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.552 20.394 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.315 20.501 -1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.095 19.555 0.079 1.00 0.00 H new ATOM 879 N TYR A 57 6.949 13.885 -3.398 1.00 0.00 N ATOM 880 CA TYR A 57 5.850 12.931 -3.471 1.00 0.00 C ATOM 881 C TYR A 57 6.286 11.651 -4.179 1.00 0.00 C ATOM 882 O TYR A 57 6.113 10.551 -3.657 1.00 0.00 O ATOM 883 CB TYR A 57 4.657 13.550 -4.202 1.00 0.00 C ATOM 884 CG TYR A 57 3.743 14.348 -3.300 1.00 0.00 C ATOM 885 CD1 TYR A 57 2.802 13.716 -2.497 1.00 0.00 C ATOM 886 CD2 TYR A 57 3.821 15.734 -3.251 1.00 0.00 C ATOM 887 CE1 TYR A 57 1.964 14.441 -1.673 1.00 0.00 C ATOM 888 CE2 TYR A 57 2.988 16.468 -2.428 1.00 0.00 C ATOM 889 CZ TYR A 57 2.061 15.817 -1.641 1.00 0.00 C ATOM 890 OH TYR A 57 1.229 16.543 -0.820 1.00 0.00 O ATOM 0 H TYR A 57 6.955 14.579 -4.145 1.00 0.00 H new ATOM 0 HA TYR A 57 5.553 12.679 -2.453 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.025 14.198 -4.997 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.081 12.756 -4.678 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.724 12.639 -2.518 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.545 16.247 -3.867 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.236 13.934 -1.057 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.062 17.545 -2.401 1.00 0.00 H new ATOM 0 HH TYR A 57 1.427 17.498 -0.915 1.00 0.00 H new ATOM 900 N GLU A 58 6.852 11.806 -5.372 1.00 0.00 N ATOM 901 CA GLU A 58 7.313 10.664 -6.152 1.00 0.00 C ATOM 902 C GLU A 58 7.971 9.621 -5.253 1.00 0.00 C ATOM 903 O GLU A 58 7.978 8.431 -5.568 1.00 0.00 O ATOM 904 CB GLU A 58 8.299 11.119 -7.231 1.00 0.00 C ATOM 905 CG GLU A 58 7.628 11.732 -8.449 1.00 0.00 C ATOM 906 CD GLU A 58 7.245 10.695 -9.487 1.00 0.00 C ATOM 907 OE1 GLU A 58 6.334 9.887 -9.210 1.00 0.00 O ATOM 908 OE2 GLU A 58 7.856 10.692 -10.576 1.00 0.00 O ATOM 0 H GLU A 58 7.002 12.711 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 58 6.446 10.210 -6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.986 11.847 -6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.898 10.265 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.735 12.272 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.300 12.462 -8.901 1.00 0.00 H new ATOM 915 N GLU A 59 8.524 10.077 -4.134 1.00 0.00 N ATOM 916 CA GLU A 59 9.186 9.184 -3.190 1.00 0.00 C ATOM 917 C GLU A 59 8.184 8.222 -2.557 1.00 0.00 C ATOM 918 O GLU A 59 8.401 7.010 -2.531 1.00 0.00 O ATOM 919 CB GLU A 59 9.893 9.991 -2.100 1.00 0.00 C ATOM 920 CG GLU A 59 11.188 10.637 -2.564 1.00 0.00 C ATOM 921 CD GLU A 59 11.735 11.634 -1.560 1.00 0.00 C ATOM 922 OE1 GLU A 59 11.467 11.469 -0.352 1.00 0.00 O ATOM 923 OE2 GLU A 59 12.431 12.580 -1.985 1.00 0.00 O ATOM 0 H GLU A 59 8.527 11.059 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 59 9.926 8.602 -3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.218 10.767 -1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.106 9.336 -1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.933 9.862 -2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.018 11.141 -3.515 1.00 0.00 H new ATOM 930 N LYS A 60 7.087 8.771 -2.048 1.00 0.00 N ATOM 931 CA LYS A 60 6.050 7.964 -1.415 1.00 0.00 C ATOM 932 C LYS A 60 5.399 7.025 -2.426 1.00 0.00 C ATOM 933 O LYS A 60 4.592 6.170 -2.063 1.00 0.00 O ATOM 934 CB LYS A 60 4.988 8.866 -0.783 1.00 0.00 C ATOM 935 CG LYS A 60 5.541 9.814 0.267 1.00 0.00 C ATOM 936 CD LYS A 60 4.555 10.922 0.593 1.00 0.00 C ATOM 937 CE LYS A 60 3.363 10.395 1.377 1.00 0.00 C ATOM 938 NZ LYS A 60 3.620 10.395 2.844 1.00 0.00 N ATOM 0 H LYS A 60 6.892 9.772 -2.061 1.00 0.00 H new ATOM 0 HA LYS A 60 6.517 7.363 -0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.505 9.448 -1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.218 8.243 -0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.776 9.257 1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.474 10.250 -0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.057 11.699 1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.208 11.385 -0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.487 11.007 1.162 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.132 9.382 1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.784 10.029 3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.440 9.790 3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.816 11.366 3.162 1.00 0.00 H new ATOM 952 N ALA A 61 5.755 7.191 -3.696 1.00 0.00 N ATOM 953 CA ALA A 61 5.208 6.356 -4.758 1.00 0.00 C ATOM 954 C ALA A 61 6.115 5.162 -5.040 1.00 0.00 C ATOM 955 O ALA A 61 5.640 4.056 -5.302 1.00 0.00 O ATOM 956 CB ALA A 61 5.004 7.177 -6.022 1.00 0.00 C ATOM 0 H ALA A 61 6.420 7.896 -4.014 1.00 0.00 H new ATOM 0 HA ALA A 61 4.242 5.975 -4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.595 6.541 -6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.311 7.993 -5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.960 7.586 -6.348 1.00 0.00 H new ATOM 962 N THR A 62 7.423 5.393 -4.987 1.00 0.00 N ATOM 963 CA THR A 62 8.396 4.338 -5.239 1.00 0.00 C ATOM 964 C THR A 62 8.536 3.419 -4.031 1.00 0.00 C ATOM 965 O THR A 62 8.921 2.257 -4.163 1.00 0.00 O ATOM 966 CB THR A 62 9.779 4.920 -5.589 1.00 0.00 C ATOM 967 OG1 THR A 62 10.693 3.862 -5.895 1.00 0.00 O ATOM 968 CG2 THR A 62 10.323 5.751 -4.436 1.00 0.00 C ATOM 0 H THR A 62 7.833 6.302 -4.772 1.00 0.00 H new ATOM 0 HA THR A 62 8.026 3.764 -6.088 1.00 0.00 H new ATOM 0 HB THR A 62 9.668 5.565 -6.460 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.569 4.241 -6.118 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.300 6.152 -4.706 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.639 6.573 -4.226 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.420 5.124 -3.550 1.00 0.00 H new ATOM 976 N LYS A 63 8.219 3.945 -2.853 1.00 0.00 N ATOM 977 CA LYS A 63 8.306 3.172 -1.620 1.00 0.00 C ATOM 978 C LYS A 63 7.197 2.127 -1.553 1.00 0.00 C ATOM 979 O LYS A 63 7.361 1.073 -0.938 1.00 0.00 O ATOM 980 CB LYS A 63 8.222 4.099 -0.405 1.00 0.00 C ATOM 981 CG LYS A 63 6.832 4.662 -0.165 1.00 0.00 C ATOM 982 CD LYS A 63 6.762 5.434 1.141 1.00 0.00 C ATOM 983 CE LYS A 63 7.960 6.355 1.310 1.00 0.00 C ATOM 984 NZ LYS A 63 9.101 5.665 1.972 1.00 0.00 N ATOM 0 H LYS A 63 7.899 4.905 -2.726 1.00 0.00 H new ATOM 0 HA LYS A 63 9.267 2.657 -1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.541 3.552 0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.921 4.924 -0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.556 5.317 -0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.107 3.848 -0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.844 6.021 1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.719 4.735 1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.275 6.723 0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.669 7.224 1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.405 6.214 2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.804 4.716 2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.893 5.583 1.303 1.00 0.00 H new ATOM 998 N ASP A 64 6.071 2.425 -2.191 1.00 0.00 N ATOM 999 CA ASP A 64 4.936 1.509 -2.206 1.00 0.00 C ATOM 1000 C ASP A 64 4.837 0.788 -3.547 1.00 0.00 C ATOM 1001 O ASP A 64 3.929 -0.015 -3.767 1.00 0.00 O ATOM 1002 CB ASP A 64 3.638 2.268 -1.924 1.00 0.00 C ATOM 1003 CG ASP A 64 2.547 1.367 -1.380 1.00 0.00 C ATOM 1004 OD1 ASP A 64 2.495 0.186 -1.785 1.00 0.00 O ATOM 1005 OD2 ASP A 64 1.746 1.842 -0.548 1.00 0.00 O ATOM 0 H ASP A 64 5.919 3.293 -2.704 1.00 0.00 H new ATOM 0 HA ASP A 64 5.090 0.765 -1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.836 3.067 -1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.290 2.741 -2.842 1.00 0.00 H new ATOM 1010 N LEU A 65 5.775 1.081 -4.441 1.00 0.00 N ATOM 1011 CA LEU A 65 5.793 0.462 -5.762 1.00 0.00 C ATOM 1012 C LEU A 65 6.475 -0.902 -5.714 1.00 0.00 C ATOM 1013 O LEU A 65 6.083 -1.828 -6.423 1.00 0.00 O ATOM 1014 CB LEU A 65 6.511 1.369 -6.762 1.00 0.00 C ATOM 1015 CG LEU A 65 6.896 0.726 -8.095 1.00 0.00 C ATOM 1016 CD1 LEU A 65 5.741 0.808 -9.081 1.00 0.00 C ATOM 1017 CD2 LEU A 65 8.138 1.392 -8.669 1.00 0.00 C ATOM 0 H LEU A 65 6.533 1.743 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 65 4.761 0.321 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.872 2.228 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.417 1.751 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 65 7.121 -0.326 -7.918 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.034 0.345 -10.024 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.876 0.284 -8.673 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.484 1.853 -9.254 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.398 0.922 -9.618 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.941 2.452 -8.831 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.967 1.280 -7.970 1.00 0.00 H new