USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 483 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -138:sc= 1.11 (180deg=-0.263) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -5.41! K(o=-5.4!,f=-3.3) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= -0.395 (180deg=-1.36) USER MOD Single : A 28 LYS NZ :NH3+ 144:sc= -0.891 (180deg=-1.57) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.3 K(o=-1.3,f=-6.3!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.281 USER MOD Single : A 38 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.0076) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 166:sc= -2.04 (180deg=-2.24) USER MOD Single : A 45 ASN : amide:sc= -0.027 X(o=-0.027,f=0.2) USER MOD Single : A 49 TYR OH : rot -31:sc= -7.31! USER MOD Single : A 50 SER OG : rot -36:sc= 0.0444 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= 1.44 (180deg=1.27) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot -152:sc= 0.828 USER MOD Single : A 66 LYS NZ :NH3+ 154:sc= 1.26 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 137 N TRP A 11 13.307 0.331 -1.092 1.00 0.00 N ATOM 138 CA TRP A 11 12.928 1.706 -1.523 1.00 0.00 C ATOM 139 C TRP A 11 13.884 2.739 -0.919 1.00 0.00 C ATOM 140 O TRP A 11 14.285 2.636 0.223 1.00 0.00 O ATOM 141 CB TRP A 11 11.508 1.905 -0.996 1.00 0.00 C ATOM 142 CG TRP A 11 10.551 1.187 -1.891 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.967 1.723 -2.985 1.00 0.00 C ATOM 144 CD2 TRP A 11 10.064 -0.183 -1.795 1.00 0.00 C ATOM 145 NE1 TRP A 11 9.154 0.770 -3.570 1.00 0.00 N ATOM 146 CE2 TRP A 11 9.179 -0.421 -2.872 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.300 -1.232 -0.888 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.554 -1.657 -3.047 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.668 -2.476 -1.062 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.799 -2.687 -2.138 1.00 0.00 C ATOM 0 HA TRP A 11 12.982 1.830 -2.605 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.428 1.525 0.023 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.265 2.967 -0.960 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.112 2.731 -3.344 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.603 0.927 -4.414 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.970 -1.081 -0.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.885 -1.815 -3.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.855 -3.275 -0.360 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.318 -3.646 -2.265 1.00 0.00 H new ATOM 161 N ASN A 12 14.253 3.733 -1.682 1.00 0.00 N ATOM 162 CA ASN A 12 15.184 4.772 -1.157 1.00 0.00 C ATOM 163 C ASN A 12 14.424 6.065 -0.850 1.00 0.00 C ATOM 164 O ASN A 12 14.588 6.656 0.199 1.00 0.00 O ATOM 165 CB ASN A 12 16.195 5.000 -2.282 1.00 0.00 C ATOM 166 CG ASN A 12 17.073 6.207 -1.946 1.00 0.00 C ATOM 167 OD1 ASN A 12 17.524 6.353 -0.827 1.00 0.00 O ATOM 168 ND2 ASN A 12 17.334 7.087 -2.875 1.00 0.00 N ATOM 0 H ASN A 12 13.950 3.870 -2.646 1.00 0.00 H new ATOM 0 HA ASN A 12 15.665 4.462 -0.229 1.00 0.00 H new ATOM 0 HB2 ASN A 12 16.814 4.113 -2.414 1.00 0.00 H new ATOM 0 HB3 ASN A 12 15.674 5.168 -3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 12 17.916 7.897 -2.661 1.00 0.00 H new ATOM 0 HD22 ASN A 12 16.956 6.965 -3.814 1.00 0.00 H new ATOM 175 N THR A 13 13.595 6.509 -1.754 1.00 0.00 N ATOM 176 CA THR A 13 12.829 7.765 -1.508 1.00 0.00 C ATOM 177 C THR A 13 11.393 7.435 -1.093 1.00 0.00 C ATOM 178 O THR A 13 10.884 6.369 -1.376 1.00 0.00 O ATOM 179 CB THR A 13 12.845 8.508 -2.844 1.00 0.00 C ATOM 180 OG1 THR A 13 12.121 9.724 -2.717 1.00 0.00 O ATOM 181 CG2 THR A 13 12.200 7.636 -3.921 1.00 0.00 C ATOM 0 H THR A 13 13.415 6.058 -2.651 1.00 0.00 H new ATOM 0 HA THR A 13 13.262 8.362 -0.706 1.00 0.00 H new ATOM 0 HB THR A 13 13.875 8.727 -3.127 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.132 10.202 -3.572 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.212 8.166 -4.873 1.00 0.00 H new ATOM 0 HG22 THR A 13 12.758 6.705 -4.017 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.170 7.415 -3.641 1.00 0.00 H new ATOM 189 N LYS A 14 10.738 8.343 -0.424 1.00 0.00 N ATOM 190 CA LYS A 14 9.335 8.081 0.008 1.00 0.00 C ATOM 191 C LYS A 14 8.406 8.026 -1.206 1.00 0.00 C ATOM 192 O LYS A 14 7.384 7.369 -1.186 1.00 0.00 O ATOM 193 CB LYS A 14 8.972 9.259 0.913 1.00 0.00 C ATOM 194 CG LYS A 14 9.452 8.969 2.335 1.00 0.00 C ATOM 195 CD LYS A 14 8.276 9.092 3.308 1.00 0.00 C ATOM 196 CE LYS A 14 8.027 7.739 3.980 1.00 0.00 C ATOM 197 NZ LYS A 14 7.267 6.944 2.976 1.00 0.00 N ATOM 0 H LYS A 14 11.112 9.254 -0.158 1.00 0.00 H new ATOM 0 HA LYS A 14 9.234 7.126 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.433 10.174 0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.894 9.419 0.906 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.879 7.967 2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.242 9.667 2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.491 9.850 4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.382 9.416 2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.965 7.250 4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.459 7.855 4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.503 6.423 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.859 7.583 2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.907 6.270 2.510 1.00 0.00 H new ATOM 211 N GLU A 15 8.750 8.708 -2.262 1.00 0.00 N ATOM 212 CA GLU A 15 7.881 8.686 -3.473 1.00 0.00 C ATOM 213 C GLU A 15 7.805 7.268 -4.036 1.00 0.00 C ATOM 214 O GLU A 15 6.741 6.758 -4.328 1.00 0.00 O ATOM 215 CB GLU A 15 8.562 9.624 -4.470 1.00 0.00 C ATOM 216 CG GLU A 15 7.906 9.468 -5.843 1.00 0.00 C ATOM 217 CD GLU A 15 8.151 10.731 -6.672 1.00 0.00 C ATOM 218 OE1 GLU A 15 8.739 11.658 -6.140 1.00 0.00 O ATOM 219 OE2 GLU A 15 7.748 10.748 -7.822 1.00 0.00 O ATOM 0 H GLU A 15 9.592 9.278 -2.340 1.00 0.00 H new ATOM 0 HA GLU A 15 6.860 8.999 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.479 10.656 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.626 9.394 -4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.315 8.598 -6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.836 9.297 -5.729 1.00 0.00 H new ATOM 226 N GLU A 16 8.927 6.625 -4.187 1.00 0.00 N ATOM 227 CA GLU A 16 8.924 5.236 -4.726 1.00 0.00 C ATOM 228 C GLU A 16 8.262 4.292 -3.722 1.00 0.00 C ATOM 229 O GLU A 16 7.564 3.367 -4.089 1.00 0.00 O ATOM 230 CB GLU A 16 10.398 4.874 -4.916 1.00 0.00 C ATOM 231 CG GLU A 16 10.983 5.702 -6.062 1.00 0.00 C ATOM 232 CD GLU A 16 11.049 4.848 -7.329 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.444 3.790 -7.339 1.00 0.00 O ATOM 234 OE2 GLU A 16 11.704 5.268 -8.268 1.00 0.00 O ATOM 0 H GLU A 16 9.848 7.001 -3.961 1.00 0.00 H new ATOM 0 HA GLU A 16 8.368 5.154 -5.660 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.952 5.064 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.497 3.811 -5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.368 6.585 -6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.979 6.056 -5.797 1.00 0.00 H new ATOM 241 N ALA A 17 8.468 4.526 -2.457 1.00 0.00 N ATOM 242 CA ALA A 17 7.844 3.649 -1.429 1.00 0.00 C ATOM 243 C ALA A 17 6.325 3.824 -1.461 1.00 0.00 C ATOM 244 O ALA A 17 5.577 2.865 -1.477 1.00 0.00 O ATOM 245 CB ALA A 17 8.416 4.131 -0.097 1.00 0.00 C ATOM 0 H ALA A 17 9.041 5.286 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 17 8.051 2.592 -1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.003 3.532 0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.501 4.028 -0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.153 5.178 0.055 1.00 0.00 H new ATOM 251 N LYS A 18 5.863 5.044 -1.490 1.00 0.00 N ATOM 252 CA LYS A 18 4.394 5.279 -1.545 1.00 0.00 C ATOM 253 C LYS A 18 3.851 4.724 -2.858 1.00 0.00 C ATOM 254 O LYS A 18 2.751 4.211 -2.928 1.00 0.00 O ATOM 255 CB LYS A 18 4.231 6.797 -1.491 1.00 0.00 C ATOM 256 CG LYS A 18 2.906 7.144 -0.811 1.00 0.00 C ATOM 257 CD LYS A 18 3.123 8.278 0.192 1.00 0.00 C ATOM 258 CE LYS A 18 1.806 9.028 0.404 1.00 0.00 C ATOM 259 NZ LYS A 18 2.129 10.109 1.376 1.00 0.00 N ATOM 0 H LYS A 18 6.438 5.886 -1.478 1.00 0.00 H new ATOM 0 HA LYS A 18 3.854 4.793 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.061 7.243 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.254 7.212 -2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.170 7.442 -1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.507 6.267 -0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.482 7.876 1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.889 8.962 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.431 9.439 -0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.033 8.365 0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.274 10.667 1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.477 9.688 2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.862 10.728 0.976 1.00 0.00 H new ATOM 273 N GLN A 19 4.629 4.815 -3.900 1.00 0.00 N ATOM 274 CA GLN A 19 4.181 4.286 -5.218 1.00 0.00 C ATOM 275 C GLN A 19 4.005 2.768 -5.129 1.00 0.00 C ATOM 276 O GLN A 19 3.010 2.224 -5.564 1.00 0.00 O ATOM 277 CB GLN A 19 5.307 4.645 -6.190 1.00 0.00 C ATOM 278 CG GLN A 19 5.207 3.769 -7.441 1.00 0.00 C ATOM 279 CD GLN A 19 3.770 3.791 -7.965 1.00 0.00 C ATOM 280 OE1 GLN A 19 3.317 2.841 -8.572 1.00 0.00 O ATOM 281 NE2 GLN A 19 3.030 4.845 -7.755 1.00 0.00 N ATOM 0 H GLN A 19 5.559 5.234 -3.895 1.00 0.00 H new ATOM 0 HA GLN A 19 3.226 4.703 -5.537 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.241 5.698 -6.465 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.275 4.501 -5.710 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.891 4.132 -8.208 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.505 2.747 -7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.411 5.642 -7.245 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.071 4.872 -8.100 1.00 0.00 H new ATOM 290 N ALA A 20 4.960 2.080 -4.561 1.00 0.00 N ATOM 291 CA ALA A 20 4.831 0.600 -4.443 1.00 0.00 C ATOM 292 C ALA A 20 3.640 0.257 -3.550 1.00 0.00 C ATOM 293 O ALA A 20 2.947 -0.715 -3.769 1.00 0.00 O ATOM 294 CB ALA A 20 6.137 0.124 -3.804 1.00 0.00 C ATOM 0 H ALA A 20 5.818 2.476 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 20 4.663 0.122 -5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.111 -0.959 -3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.976 0.400 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.255 0.592 -2.827 1.00 0.00 H new ATOM 300 N PHE A 21 3.393 1.053 -2.547 1.00 0.00 N ATOM 301 CA PHE A 21 2.241 0.771 -1.646 1.00 0.00 C ATOM 302 C PHE A 21 0.930 1.027 -2.393 1.00 0.00 C ATOM 303 O PHE A 21 0.012 0.230 -2.351 1.00 0.00 O ATOM 304 CB PHE A 21 2.395 1.745 -0.478 1.00 0.00 C ATOM 305 CG PHE A 21 1.848 1.107 0.777 1.00 0.00 C ATOM 306 CD1 PHE A 21 2.575 0.097 1.419 1.00 0.00 C ATOM 307 CD2 PHE A 21 0.616 1.521 1.298 1.00 0.00 C ATOM 308 CE1 PHE A 21 2.071 -0.499 2.581 1.00 0.00 C ATOM 309 CE2 PHE A 21 0.113 0.924 2.462 1.00 0.00 C ATOM 310 CZ PHE A 21 0.841 -0.085 3.101 1.00 0.00 C ATOM 0 H PHE A 21 3.937 1.884 -2.313 1.00 0.00 H new ATOM 0 HA PHE A 21 2.223 -0.264 -1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.445 2.004 -0.341 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.863 2.673 -0.690 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.525 -0.222 1.017 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.054 2.299 0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.632 -1.278 3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.837 1.243 2.866 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.452 -0.545 3.998 1.00 0.00 H new ATOM 320 N LYS A 22 0.840 2.124 -3.100 1.00 0.00 N ATOM 321 CA LYS A 22 -0.407 2.404 -3.864 1.00 0.00 C ATOM 322 C LYS A 22 -0.554 1.359 -4.965 1.00 0.00 C ATOM 323 O LYS A 22 -1.596 0.754 -5.129 1.00 0.00 O ATOM 324 CB LYS A 22 -0.218 3.797 -4.465 1.00 0.00 C ATOM 325 CG LYS A 22 -0.782 4.848 -3.507 1.00 0.00 C ATOM 326 CD LYS A 22 -1.260 6.062 -4.305 1.00 0.00 C ATOM 327 CE LYS A 22 -1.174 7.313 -3.428 1.00 0.00 C ATOM 328 NZ LYS A 22 -0.808 8.412 -4.364 1.00 0.00 N ATOM 0 H LYS A 22 1.571 2.831 -3.180 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.301 2.365 -3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.840 3.986 -4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.723 3.860 -5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.609 4.427 -2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.018 5.149 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.648 6.188 -5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.286 5.909 -4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.124 7.515 -2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.425 7.196 -2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.730 9.305 -3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.104 8.195 -4.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.542 8.504 -5.095 1.00 0.00 H new ATOM 342 N GLU A 23 0.493 1.125 -5.707 1.00 0.00 N ATOM 343 CA GLU A 23 0.423 0.099 -6.779 1.00 0.00 C ATOM 344 C GLU A 23 0.121 -1.255 -6.142 1.00 0.00 C ATOM 345 O GLU A 23 -0.529 -2.100 -6.723 1.00 0.00 O ATOM 346 CB GLU A 23 1.805 0.097 -7.431 1.00 0.00 C ATOM 347 CG GLU A 23 1.681 -0.364 -8.884 1.00 0.00 C ATOM 348 CD GLU A 23 1.644 0.856 -9.806 1.00 0.00 C ATOM 349 OE1 GLU A 23 1.269 1.917 -9.337 1.00 0.00 O ATOM 350 OE2 GLU A 23 1.992 0.707 -10.966 1.00 0.00 O ATOM 0 H GLU A 23 1.391 1.600 -5.616 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.355 0.303 -7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.240 1.096 -7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.476 -0.565 -6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.522 -1.005 -9.146 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.776 -0.957 -9.012 1.00 0.00 H new ATOM 357 N LEU A 24 0.577 -1.455 -4.934 1.00 0.00 N ATOM 358 CA LEU A 24 0.304 -2.743 -4.242 1.00 0.00 C ATOM 359 C LEU A 24 -1.207 -2.904 -4.076 1.00 0.00 C ATOM 360 O LEU A 24 -1.777 -3.913 -4.438 1.00 0.00 O ATOM 361 CB LEU A 24 0.999 -2.622 -2.880 1.00 0.00 C ATOM 362 CG LEU A 24 0.809 -3.908 -2.074 1.00 0.00 C ATOM 363 CD1 LEU A 24 1.050 -5.124 -2.973 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.811 -3.925 -0.910 1.00 0.00 C ATOM 0 H LEU A 24 1.126 -0.782 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 24 0.668 -3.611 -4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.062 -2.427 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.590 -1.775 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.209 -3.947 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.913 -6.037 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.342 -5.110 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.067 -5.091 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.681 -4.839 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.827 -3.886 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.638 -3.061 -0.268 1.00 0.00 H new ATOM 376 N LEU A 25 -1.867 -1.902 -3.558 1.00 0.00 N ATOM 377 CA LEU A 25 -3.347 -1.991 -3.402 1.00 0.00 C ATOM 378 C LEU A 25 -3.992 -2.180 -4.777 1.00 0.00 C ATOM 379 O LEU A 25 -4.923 -2.945 -4.941 1.00 0.00 O ATOM 380 CB LEU A 25 -3.766 -0.654 -2.791 1.00 0.00 C ATOM 381 CG LEU A 25 -3.764 -0.759 -1.268 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.928 0.377 -0.674 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.201 -0.649 -0.759 1.00 0.00 C ATOM 0 H LEU A 25 -1.447 -1.030 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.654 -2.830 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.083 0.133 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.759 -0.377 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.336 -1.716 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.929 0.299 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.905 0.307 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.355 1.336 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.208 -0.723 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.621 0.311 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.800 -1.456 -1.182 1.00 0.00 H new ATOM 395 N LYS A 26 -3.492 -1.489 -5.769 1.00 0.00 N ATOM 396 CA LYS A 26 -4.059 -1.631 -7.138 1.00 0.00 C ATOM 397 C LYS A 26 -3.903 -3.076 -7.610 1.00 0.00 C ATOM 398 O LYS A 26 -4.820 -3.671 -8.143 1.00 0.00 O ATOM 399 CB LYS A 26 -3.223 -0.690 -8.008 1.00 0.00 C ATOM 400 CG LYS A 26 -4.049 -0.237 -9.213 1.00 0.00 C ATOM 401 CD LYS A 26 -3.177 -0.268 -10.470 1.00 0.00 C ATOM 402 CE LYS A 26 -2.675 1.143 -10.780 1.00 0.00 C ATOM 403 NZ LYS A 26 -1.879 1.541 -9.585 1.00 0.00 N ATOM 0 H LYS A 26 -2.715 -0.833 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.121 -1.388 -7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.906 0.175 -7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.318 -1.197 -8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.913 -0.889 -9.341 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.431 0.770 -9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.333 -0.941 -10.323 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.750 -0.655 -11.313 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.064 1.155 -11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.505 1.829 -10.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.249 2.330 -9.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.522 1.839 -8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.310 0.733 -9.262 1.00 0.00 H new ATOM 417 N GLU A 27 -2.749 -3.652 -7.405 1.00 0.00 N ATOM 418 CA GLU A 27 -2.535 -5.065 -7.825 1.00 0.00 C ATOM 419 C GLU A 27 -3.409 -5.983 -6.973 1.00 0.00 C ATOM 420 O GLU A 27 -3.854 -7.025 -7.411 1.00 0.00 O ATOM 421 CB GLU A 27 -1.052 -5.337 -7.569 1.00 0.00 C ATOM 422 CG GLU A 27 -0.672 -6.701 -8.148 1.00 0.00 C ATOM 423 CD GLU A 27 -0.490 -6.580 -9.661 1.00 0.00 C ATOM 424 OE1 GLU A 27 -1.167 -5.757 -10.257 1.00 0.00 O ATOM 425 OE2 GLU A 27 0.323 -7.314 -10.202 1.00 0.00 O ATOM 0 H GLU A 27 -1.945 -3.204 -6.965 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.798 -5.241 -8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.445 -4.555 -8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.848 -5.316 -6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.249 -7.060 -7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.447 -7.433 -7.922 1.00 0.00 H new ATOM 432 N LYS A 28 -3.669 -5.588 -5.757 1.00 0.00 N ATOM 433 CA LYS A 28 -4.527 -6.414 -4.864 1.00 0.00 C ATOM 434 C LYS A 28 -6.002 -6.138 -5.159 1.00 0.00 C ATOM 435 O LYS A 28 -6.886 -6.704 -4.546 1.00 0.00 O ATOM 436 CB LYS A 28 -4.163 -5.962 -3.449 1.00 0.00 C ATOM 437 CG LYS A 28 -3.040 -6.845 -2.902 1.00 0.00 C ATOM 438 CD LYS A 28 -1.714 -6.466 -3.562 1.00 0.00 C ATOM 439 CE LYS A 28 -0.870 -7.725 -3.775 1.00 0.00 C ATOM 440 NZ LYS A 28 -0.104 -7.469 -5.025 1.00 0.00 N ATOM 0 H LYS A 28 -3.321 -4.723 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.371 -7.484 -5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.847 -4.919 -3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.037 -6.024 -2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.966 -6.726 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.265 -7.894 -3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.899 -5.974 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.174 -5.755 -2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.202 -7.900 -2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.499 -8.610 -3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.844 -7.888 -4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.603 -7.896 -5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.018 -6.444 -5.175 1.00 0.00 H new ATOM 454 N ARG A 29 -6.270 -5.271 -6.096 1.00 0.00 N ATOM 455 CA ARG A 29 -7.683 -4.952 -6.443 1.00 0.00 C ATOM 456 C ARG A 29 -8.457 -4.518 -5.195 1.00 0.00 C ATOM 457 O ARG A 29 -9.637 -4.783 -5.067 1.00 0.00 O ATOM 458 CB ARG A 29 -8.261 -6.253 -7.001 1.00 0.00 C ATOM 459 CG ARG A 29 -8.057 -6.300 -8.517 1.00 0.00 C ATOM 460 CD ARG A 29 -7.607 -7.705 -8.926 1.00 0.00 C ATOM 461 NE ARG A 29 -7.005 -7.540 -10.277 1.00 0.00 N ATOM 462 CZ ARG A 29 -7.692 -6.977 -11.234 1.00 0.00 C ATOM 463 NH1 ARG A 29 -7.465 -5.732 -11.555 1.00 0.00 N ATOM 464 NH2 ARG A 29 -8.605 -7.658 -11.869 1.00 0.00 N ATOM 0 H ARG A 29 -5.568 -4.768 -6.638 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.751 -4.133 -7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.775 -7.109 -6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.323 -6.321 -6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.984 -6.040 -9.028 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.310 -5.565 -8.818 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.883 -8.109 -8.218 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.449 -8.397 -8.951 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.055 -7.867 -10.455 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.751 -5.199 -11.058 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.002 -5.292 -12.303 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.783 -8.631 -11.618 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.142 -7.218 -12.617 1.00 0.00 H new ATOM 478 N VAL A 30 -7.815 -3.846 -4.277 1.00 0.00 N ATOM 479 CA VAL A 30 -8.544 -3.398 -3.051 1.00 0.00 C ATOM 480 C VAL A 30 -9.642 -2.408 -3.453 1.00 0.00 C ATOM 481 O VAL A 30 -9.401 -1.502 -4.227 1.00 0.00 O ATOM 482 CB VAL A 30 -7.496 -2.715 -2.165 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.010 -2.659 -0.725 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.186 -3.506 -2.195 1.00 0.00 C ATOM 0 H VAL A 30 -6.829 -3.589 -4.320 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.019 -4.226 -2.524 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.318 -1.707 -2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.267 -2.174 -0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.940 -2.092 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.189 -3.671 -0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.448 -3.012 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.362 -4.516 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.813 -3.553 -3.218 1.00 0.00 H new ATOM 494 N PRO A 31 -10.819 -2.619 -2.926 1.00 0.00 N ATOM 495 CA PRO A 31 -11.962 -1.735 -3.258 1.00 0.00 C ATOM 496 C PRO A 31 -11.785 -0.359 -2.613 1.00 0.00 C ATOM 497 O PRO A 31 -10.988 -0.178 -1.713 1.00 0.00 O ATOM 498 CB PRO A 31 -13.167 -2.467 -2.672 1.00 0.00 C ATOM 499 CG PRO A 31 -12.606 -3.317 -1.581 1.00 0.00 C ATOM 500 CD PRO A 31 -11.196 -3.679 -1.984 1.00 0.00 C ATOM 0 HA PRO A 31 -12.063 -1.552 -4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.906 -1.765 -2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.667 -3.073 -3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.610 -2.780 -0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.210 -4.214 -1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.528 -3.705 -1.123 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.153 -4.663 -2.451 1.00 0.00 H new ATOM 508 N SER A 32 -12.525 0.610 -3.070 1.00 0.00 N ATOM 509 CA SER A 32 -12.408 1.978 -2.495 1.00 0.00 C ATOM 510 C SER A 32 -13.044 2.023 -1.104 1.00 0.00 C ATOM 511 O SER A 32 -12.941 3.005 -0.396 1.00 0.00 O ATOM 512 CB SER A 32 -13.166 2.886 -3.464 1.00 0.00 C ATOM 513 OG SER A 32 -14.552 2.577 -3.412 1.00 0.00 O ATOM 0 H SER A 32 -13.209 0.513 -3.820 1.00 0.00 H new ATOM 0 HA SER A 32 -11.370 2.288 -2.379 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.005 3.932 -3.202 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.789 2.750 -4.478 1.00 0.00 H new ATOM 0 HG SER A 32 -15.040 3.159 -4.031 1.00 0.00 H new ATOM 519 N ASN A 33 -13.703 0.969 -0.707 1.00 0.00 N ATOM 520 CA ASN A 33 -14.340 0.959 0.639 1.00 0.00 C ATOM 521 C ASN A 33 -13.730 -0.150 1.501 1.00 0.00 C ATOM 522 O ASN A 33 -14.262 -0.511 2.532 1.00 0.00 O ATOM 523 CB ASN A 33 -15.823 0.691 0.375 1.00 0.00 C ATOM 524 CG ASN A 33 -15.975 -0.574 -0.471 1.00 0.00 C ATOM 525 OD1 ASN A 33 -15.264 -1.540 -0.275 1.00 0.00 O ATOM 526 ND2 ASN A 33 -16.880 -0.610 -1.411 1.00 0.00 N ATOM 0 H ASN A 33 -13.827 0.118 -1.255 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.190 1.895 1.177 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.355 0.575 1.319 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.270 1.541 -0.141 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.990 -1.449 -1.981 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.477 0.201 -1.576 1.00 0.00 H new ATOM 533 N ALA A 34 -12.616 -0.693 1.085 1.00 0.00 N ATOM 534 CA ALA A 34 -11.974 -1.778 1.883 1.00 0.00 C ATOM 535 C ALA A 34 -11.523 -1.243 3.242 1.00 0.00 C ATOM 536 O ALA A 34 -11.175 -0.088 3.382 1.00 0.00 O ATOM 537 CB ALA A 34 -10.753 -2.216 1.068 1.00 0.00 C ATOM 0 H ALA A 34 -12.125 -0.433 0.230 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.663 -2.602 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.231 -3.014 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.078 -2.578 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.081 -1.368 0.935 1.00 0.00 H new ATOM 543 N SER A 35 -11.508 -2.079 4.240 1.00 0.00 N ATOM 544 CA SER A 35 -11.053 -1.622 5.582 1.00 0.00 C ATOM 545 C SER A 35 -9.533 -1.762 5.656 1.00 0.00 C ATOM 546 O SER A 35 -8.947 -2.547 4.936 1.00 0.00 O ATOM 547 CB SER A 35 -11.727 -2.565 6.575 1.00 0.00 C ATOM 548 OG SER A 35 -11.034 -3.808 6.583 1.00 0.00 O ATOM 0 H SER A 35 -11.790 -3.058 4.186 1.00 0.00 H new ATOM 0 HA SER A 35 -11.306 -0.582 5.789 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.722 -2.126 7.573 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.770 -2.718 6.299 1.00 0.00 H new ATOM 0 HG SER A 35 -11.462 -4.417 7.221 1.00 0.00 H new ATOM 554 N TRP A 36 -8.879 -1.020 6.502 1.00 0.00 N ATOM 555 CA TRP A 36 -7.399 -1.155 6.570 1.00 0.00 C ATOM 556 C TRP A 36 -7.027 -2.624 6.766 1.00 0.00 C ATOM 557 O TRP A 36 -6.008 -3.082 6.299 1.00 0.00 O ATOM 558 CB TRP A 36 -6.937 -0.326 7.769 1.00 0.00 C ATOM 559 CG TRP A 36 -5.479 -0.585 7.983 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.892 -0.850 9.174 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.417 -0.625 6.986 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.538 -1.056 8.968 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.196 -0.926 7.634 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.397 -0.432 5.594 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -1.997 -1.035 6.919 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.198 -0.538 4.876 1.00 0.00 C ATOM 567 CH2 TRP A 36 -2.001 -0.839 5.537 1.00 0.00 C ATOM 0 H TRP A 36 -9.294 -0.339 7.138 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.924 -0.807 5.653 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.112 0.735 7.588 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.506 -0.595 8.659 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.397 -0.894 10.128 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.874 -1.277 9.710 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.314 -0.200 5.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.076 -1.269 7.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.197 -0.387 3.807 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.081 -0.920 4.978 1.00 0.00 H new ATOM 578 N GLU A 37 -7.848 -3.368 7.455 1.00 0.00 N ATOM 579 CA GLU A 37 -7.537 -4.809 7.683 1.00 0.00 C ATOM 580 C GLU A 37 -7.559 -5.581 6.361 1.00 0.00 C ATOM 581 O GLU A 37 -6.655 -6.335 6.056 1.00 0.00 O ATOM 582 CB GLU A 37 -8.641 -5.310 8.615 1.00 0.00 C ATOM 583 CG GLU A 37 -8.605 -4.519 9.924 1.00 0.00 C ATOM 584 CD GLU A 37 -9.468 -5.225 10.972 1.00 0.00 C ATOM 585 OE1 GLU A 37 -10.452 -5.836 10.588 1.00 0.00 O ATOM 586 OE2 GLU A 37 -9.131 -5.142 12.142 1.00 0.00 O ATOM 0 H GLU A 37 -8.721 -3.041 7.870 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.544 -4.950 8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.614 -5.197 8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.506 -6.373 8.817 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.579 -4.433 10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.971 -3.506 9.759 1.00 0.00 H new ATOM 593 N GLN A 38 -8.587 -5.405 5.575 1.00 0.00 N ATOM 594 CA GLN A 38 -8.663 -6.139 4.277 1.00 0.00 C ATOM 595 C GLN A 38 -7.595 -5.628 3.308 1.00 0.00 C ATOM 596 O GLN A 38 -6.888 -6.396 2.680 1.00 0.00 O ATOM 597 CB GLN A 38 -10.060 -5.834 3.738 1.00 0.00 C ATOM 598 CG GLN A 38 -11.050 -6.876 4.260 1.00 0.00 C ATOM 599 CD GLN A 38 -11.107 -8.058 3.291 1.00 0.00 C ATOM 600 OE1 GLN A 38 -10.837 -9.180 3.668 1.00 0.00 O ATOM 601 NE2 GLN A 38 -11.451 -7.853 2.048 1.00 0.00 N ATOM 0 H GLN A 38 -9.375 -4.788 5.773 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.491 -7.208 4.399 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.370 -4.836 4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.050 -5.841 2.648 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.746 -7.218 5.249 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.040 -6.431 4.366 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.678 -6.911 1.730 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.493 -8.635 1.395 1.00 0.00 H new ATOM 610 N ALA A 39 -7.467 -4.339 3.184 1.00 0.00 N ATOM 611 CA ALA A 39 -6.448 -3.781 2.254 1.00 0.00 C ATOM 612 C ALA A 39 -5.039 -4.067 2.775 1.00 0.00 C ATOM 613 O ALA A 39 -4.184 -4.520 2.044 1.00 0.00 O ATOM 614 CB ALA A 39 -6.718 -2.277 2.230 1.00 0.00 C ATOM 0 H ALA A 39 -8.023 -3.647 3.686 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.511 -4.223 1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.006 -1.790 1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.732 -2.095 1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.610 -1.872 3.236 1.00 0.00 H new ATOM 620 N MET A 40 -4.793 -3.797 4.029 1.00 0.00 N ATOM 621 CA MET A 40 -3.435 -4.041 4.598 1.00 0.00 C ATOM 622 C MET A 40 -3.016 -5.497 4.427 1.00 0.00 C ATOM 623 O MET A 40 -1.925 -5.778 3.994 1.00 0.00 O ATOM 624 CB MET A 40 -3.550 -3.708 6.081 1.00 0.00 C ATOM 625 CG MET A 40 -2.208 -3.967 6.767 1.00 0.00 C ATOM 626 SD MET A 40 -2.395 -3.763 8.555 1.00 0.00 S ATOM 627 CE MET A 40 -2.244 -5.511 9.000 1.00 0.00 C ATOM 0 H MET A 40 -5.475 -3.417 4.685 1.00 0.00 H new ATOM 0 HA MET A 40 -2.684 -3.435 4.091 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.841 -2.665 6.209 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.329 -4.315 6.542 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.860 -4.975 6.540 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.455 -3.276 6.388 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.332 -5.620 10.081 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.035 -6.080 8.513 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.274 -5.887 8.675 1.00 0.00 H new ATOM 637 N LYS A 41 -3.858 -6.428 4.773 1.00 0.00 N ATOM 638 CA LYS A 41 -3.464 -7.858 4.627 1.00 0.00 C ATOM 639 C LYS A 41 -3.240 -8.190 3.150 1.00 0.00 C ATOM 640 O LYS A 41 -2.245 -8.793 2.779 1.00 0.00 O ATOM 641 CB LYS A 41 -4.641 -8.651 5.193 1.00 0.00 C ATOM 642 CG LYS A 41 -4.812 -8.307 6.674 1.00 0.00 C ATOM 643 CD LYS A 41 -6.157 -8.836 7.172 1.00 0.00 C ATOM 644 CE LYS A 41 -6.351 -8.431 8.634 1.00 0.00 C ATOM 645 NZ LYS A 41 -6.279 -9.706 9.399 1.00 0.00 N ATOM 0 H LYS A 41 -4.793 -6.265 5.147 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.535 -8.092 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.553 -8.414 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.466 -9.720 5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.000 -8.744 7.255 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.760 -7.227 6.815 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.966 -8.436 6.562 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.192 -9.921 7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.578 -7.733 8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.310 -7.935 8.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.404 -9.510 10.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.031 -10.348 9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.352 -10.152 9.244 1.00 0.00 H new ATOM 659 N MET A 42 -4.147 -7.794 2.301 1.00 0.00 N ATOM 660 CA MET A 42 -3.978 -8.085 0.851 1.00 0.00 C ATOM 661 C MET A 42 -2.661 -7.495 0.337 1.00 0.00 C ATOM 662 O MET A 42 -2.025 -8.043 -0.542 1.00 0.00 O ATOM 663 CB MET A 42 -5.165 -7.399 0.169 1.00 0.00 C ATOM 664 CG MET A 42 -6.471 -8.054 0.620 1.00 0.00 C ATOM 665 SD MET A 42 -7.864 -6.996 0.156 1.00 0.00 S ATOM 666 CE MET A 42 -7.631 -7.089 -1.636 1.00 0.00 C ATOM 0 H MET A 42 -4.995 -7.283 2.548 1.00 0.00 H new ATOM 0 HA MET A 42 -3.948 -9.156 0.650 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.175 -6.338 0.417 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.066 -7.472 -0.914 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.576 -9.036 0.159 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.460 -8.208 1.699 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.522 -6.713 -2.139 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.770 -6.485 -1.923 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.460 -8.125 -1.927 1.00 0.00 H new ATOM 676 N ILE A 43 -2.256 -6.374 0.867 1.00 0.00 N ATOM 677 CA ILE A 43 -0.992 -5.736 0.393 1.00 0.00 C ATOM 678 C ILE A 43 0.217 -6.202 1.218 1.00 0.00 C ATOM 679 O ILE A 43 1.330 -6.228 0.731 1.00 0.00 O ATOM 680 CB ILE A 43 -1.232 -4.236 0.571 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.281 -3.894 2.061 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.558 -3.850 -0.088 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.189 -2.378 2.232 1.00 0.00 C ATOM 0 H ILE A 43 -2.744 -5.871 1.608 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.762 -6.002 -0.639 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.418 -3.682 0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.206 -4.266 2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.459 -4.382 2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.730 -2.781 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.519 -4.088 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.371 -4.406 0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.224 -2.129 3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.252 -2.020 1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.026 -1.903 1.720 1.00 0.00 H new ATOM 695 N ILE A 44 0.015 -6.576 2.452 1.00 0.00 N ATOM 696 CA ILE A 44 1.168 -7.038 3.282 1.00 0.00 C ATOM 697 C ILE A 44 1.710 -8.346 2.712 1.00 0.00 C ATOM 698 O ILE A 44 2.903 -8.571 2.668 1.00 0.00 O ATOM 699 CB ILE A 44 0.609 -7.230 4.700 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.722 -6.997 5.719 1.00 0.00 C ATOM 701 CG2 ILE A 44 0.063 -8.649 4.877 1.00 0.00 C ATOM 702 CD1 ILE A 44 1.119 -6.483 7.028 1.00 0.00 C ATOM 0 H ILE A 44 -0.891 -6.583 2.920 1.00 0.00 H new ATOM 0 HA ILE A 44 1.994 -6.326 3.288 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.200 -6.516 4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.266 -7.925 5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.440 -6.276 5.330 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.328 -8.765 5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.736 -8.824 4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.864 -9.370 4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.914 -6.317 7.755 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.595 -5.545 6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.418 -7.220 7.420 1.00 0.00 H new ATOM 714 N ASN A 45 0.839 -9.204 2.260 1.00 0.00 N ATOM 715 CA ASN A 45 1.313 -10.491 1.673 1.00 0.00 C ATOM 716 C ASN A 45 2.309 -10.200 0.544 1.00 0.00 C ATOM 717 O ASN A 45 3.058 -11.060 0.121 1.00 0.00 O ATOM 718 CB ASN A 45 0.055 -11.165 1.124 1.00 0.00 C ATOM 719 CG ASN A 45 0.315 -12.662 0.942 1.00 0.00 C ATOM 720 OD1 ASN A 45 1.163 -13.053 0.164 1.00 0.00 O ATOM 721 ND2 ASN A 45 -0.386 -13.522 1.628 1.00 0.00 N ATOM 0 H ASN A 45 -0.173 -9.073 2.270 1.00 0.00 H new ATOM 0 HA ASN A 45 1.821 -11.125 2.400 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.780 -11.011 1.807 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.225 -10.715 0.171 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.222 -14.522 1.511 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.098 -13.194 2.281 1.00 0.00 H new ATOM 728 N ASP A 46 2.317 -8.986 0.056 1.00 0.00 N ATOM 729 CA ASP A 46 3.251 -8.612 -1.044 1.00 0.00 C ATOM 730 C ASP A 46 4.456 -7.845 -0.483 1.00 0.00 C ATOM 731 O ASP A 46 4.329 -7.103 0.472 1.00 0.00 O ATOM 732 CB ASP A 46 2.424 -7.709 -1.957 1.00 0.00 C ATOM 733 CG ASP A 46 3.183 -7.443 -3.260 1.00 0.00 C ATOM 734 OD1 ASP A 46 3.041 -8.235 -4.177 1.00 0.00 O ATOM 735 OD2 ASP A 46 3.894 -6.454 -3.317 1.00 0.00 O ATOM 0 H ASP A 46 1.710 -8.232 0.377 1.00 0.00 H new ATOM 0 HA ASP A 46 3.647 -9.482 -1.568 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.465 -8.179 -2.175 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.210 -6.767 -1.453 1.00 0.00 H new ATOM 740 N PRO A 47 5.586 -8.049 -1.103 1.00 0.00 N ATOM 741 CA PRO A 47 6.840 -7.370 -0.674 1.00 0.00 C ATOM 742 C PRO A 47 6.697 -5.849 -0.764 1.00 0.00 C ATOM 743 O PRO A 47 7.400 -5.109 -0.105 1.00 0.00 O ATOM 744 CB PRO A 47 7.883 -7.896 -1.668 1.00 0.00 C ATOM 745 CG PRO A 47 7.078 -8.335 -2.844 1.00 0.00 C ATOM 746 CD PRO A 47 5.812 -8.905 -2.271 1.00 0.00 C ATOM 0 HA PRO A 47 7.106 -7.573 0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.599 -7.121 -1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.455 -8.722 -1.246 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.866 -7.498 -3.509 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.614 -9.081 -3.431 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.985 -8.853 -2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.927 -9.952 -1.992 1.00 0.00 H new ATOM 754 N ARG A 48 5.796 -5.376 -1.577 1.00 0.00 N ATOM 755 CA ARG A 48 5.609 -3.906 -1.713 1.00 0.00 C ATOM 756 C ARG A 48 5.185 -3.281 -0.382 1.00 0.00 C ATOM 757 O ARG A 48 5.405 -2.110 -0.147 1.00 0.00 O ATOM 758 CB ARG A 48 4.532 -3.756 -2.775 1.00 0.00 C ATOM 759 CG ARG A 48 5.122 -4.178 -4.116 1.00 0.00 C ATOM 760 CD ARG A 48 5.419 -2.937 -4.947 1.00 0.00 C ATOM 761 NE ARG A 48 4.114 -2.605 -5.572 1.00 0.00 N ATOM 762 CZ ARG A 48 4.055 -2.288 -6.837 1.00 0.00 C ATOM 763 NH1 ARG A 48 4.852 -1.374 -7.319 1.00 0.00 N ATOM 764 NH2 ARG A 48 3.200 -2.888 -7.620 1.00 0.00 N ATOM 0 H ARG A 48 5.179 -5.946 -2.155 1.00 0.00 H new ATOM 0 HA ARG A 48 6.528 -3.392 -1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.668 -4.373 -2.529 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.185 -2.724 -2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.035 -4.753 -3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.424 -4.826 -4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.784 -2.119 -4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.184 -3.133 -5.699 1.00 0.00 H new ATOM 0 HE ARG A 48 3.262 -2.625 -5.012 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.521 -0.907 -6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.806 -1.127 -8.307 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.579 -3.604 -7.243 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.153 -2.641 -8.609 1.00 0.00 H new ATOM 778 N TYR A 49 4.585 -4.038 0.494 1.00 0.00 N ATOM 779 CA TYR A 49 4.175 -3.452 1.803 1.00 0.00 C ATOM 780 C TYR A 49 5.413 -2.915 2.525 1.00 0.00 C ATOM 781 O TYR A 49 5.350 -1.957 3.279 1.00 0.00 O ATOM 782 CB TYR A 49 3.544 -4.605 2.586 1.00 0.00 C ATOM 783 CG TYR A 49 2.746 -4.055 3.743 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.492 -3.481 3.513 1.00 0.00 C ATOM 785 CD2 TYR A 49 3.252 -4.127 5.046 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.743 -2.982 4.580 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.502 -3.624 6.117 1.00 0.00 C ATOM 788 CZ TYR A 49 1.247 -3.053 5.882 1.00 0.00 C ATOM 789 OH TYR A 49 0.507 -2.560 6.936 1.00 0.00 O ATOM 0 H TYR A 49 4.362 -5.025 0.364 1.00 0.00 H new ATOM 0 HA TYR A 49 3.476 -2.623 1.693 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.898 -5.191 1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.320 -5.276 2.953 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.102 -3.424 2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.220 -4.570 5.226 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.226 -2.541 4.400 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.892 -3.677 7.123 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.039 -1.806 6.628 1.00 0.00 H new ATOM 799 N SER A 50 6.550 -3.505 2.277 1.00 0.00 N ATOM 800 CA SER A 50 7.793 -3.018 2.934 1.00 0.00 C ATOM 801 C SER A 50 8.171 -1.662 2.341 1.00 0.00 C ATOM 802 O SER A 50 9.059 -0.985 2.821 1.00 0.00 O ATOM 803 CB SER A 50 8.858 -4.066 2.611 1.00 0.00 C ATOM 804 OG SER A 50 10.040 -3.774 3.345 1.00 0.00 O ATOM 0 H SER A 50 6.671 -4.300 1.650 1.00 0.00 H new ATOM 0 HA SER A 50 7.681 -2.889 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.494 -5.062 2.865 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.071 -4.068 1.542 1.00 0.00 H new ATOM 0 HG SER A 50 10.157 -2.803 3.404 1.00 0.00 H new ATOM 810 N ALA A 51 7.477 -1.250 1.314 1.00 0.00 N ATOM 811 CA ALA A 51 7.762 0.072 0.703 1.00 0.00 C ATOM 812 C ALA A 51 7.509 1.163 1.745 1.00 0.00 C ATOM 813 O ALA A 51 8.041 2.252 1.660 1.00 0.00 O ATOM 814 CB ALA A 51 6.775 0.188 -0.460 1.00 0.00 C ATOM 0 H ALA A 51 6.723 -1.777 0.873 1.00 0.00 H new ATOM 0 HA ALA A 51 8.792 0.177 0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.920 1.142 -0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.945 -0.627 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.755 0.131 -0.079 1.00 0.00 H new ATOM 820 N LEU A 52 6.709 0.873 2.743 1.00 0.00 N ATOM 821 CA LEU A 52 6.439 1.895 3.799 1.00 0.00 C ATOM 822 C LEU A 52 6.889 1.358 5.161 1.00 0.00 C ATOM 823 O LEU A 52 6.504 0.282 5.575 1.00 0.00 O ATOM 824 CB LEU A 52 4.928 2.126 3.767 1.00 0.00 C ATOM 825 CG LEU A 52 4.560 2.896 2.497 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.091 3.307 2.557 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.434 4.148 2.394 1.00 0.00 C ATOM 0 H LEU A 52 6.235 -0.021 2.870 1.00 0.00 H new ATOM 0 HA LEU A 52 6.980 2.826 3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.402 1.172 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.615 2.686 4.649 1.00 0.00 H new ATOM 0 HG LEU A 52 4.724 2.262 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.829 3.855 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.467 2.417 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.926 3.943 3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.175 4.699 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.267 4.781 3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.484 3.857 2.353 1.00 0.00 H new ATOM 839 N ALA A 53 7.722 2.092 5.844 1.00 0.00 N ATOM 840 CA ALA A 53 8.230 1.626 7.169 1.00 0.00 C ATOM 841 C ALA A 53 7.186 1.815 8.276 1.00 0.00 C ATOM 842 O ALA A 53 7.084 1.010 9.181 1.00 0.00 O ATOM 843 CB ALA A 53 9.455 2.500 7.440 1.00 0.00 C ATOM 0 H ALA A 53 8.076 3.000 5.542 1.00 0.00 H new ATOM 0 HA ALA A 53 8.462 0.561 7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.894 2.224 8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.190 2.352 6.649 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.156 3.548 7.466 1.00 0.00 H new ATOM 849 N LYS A 54 6.428 2.875 8.235 1.00 0.00 N ATOM 850 CA LYS A 54 5.420 3.099 9.314 1.00 0.00 C ATOM 851 C LYS A 54 4.004 2.765 8.837 1.00 0.00 C ATOM 852 O LYS A 54 3.627 3.035 7.715 1.00 0.00 O ATOM 853 CB LYS A 54 5.534 4.585 9.654 1.00 0.00 C ATOM 854 CG LYS A 54 6.595 4.777 10.739 1.00 0.00 C ATOM 855 CD LYS A 54 7.159 6.197 10.660 1.00 0.00 C ATOM 856 CE LYS A 54 6.136 7.185 11.224 1.00 0.00 C ATOM 857 NZ LYS A 54 5.900 8.161 10.125 1.00 0.00 N ATOM 0 H LYS A 54 6.460 3.591 7.509 1.00 0.00 H new ATOM 0 HA LYS A 54 5.606 2.458 10.176 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.801 5.154 8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.572 4.966 9.999 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.159 4.602 11.723 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.396 4.049 10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.091 6.261 11.222 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.393 6.450 9.626 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.213 6.679 11.508 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.516 7.680 12.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.208 8.873 10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.795 8.632 9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.532 7.662 9.290 1.00 0.00 H new ATOM 871 N LEU A 55 3.207 2.188 9.690 1.00 0.00 N ATOM 872 CA LEU A 55 1.816 1.856 9.284 1.00 0.00 C ATOM 873 C LEU A 55 1.015 3.144 9.093 1.00 0.00 C ATOM 874 O LEU A 55 0.103 3.203 8.293 1.00 0.00 O ATOM 875 CB LEU A 55 1.241 1.016 10.422 1.00 0.00 C ATOM 876 CG LEU A 55 0.257 0.001 9.837 1.00 0.00 C ATOM 877 CD1 LEU A 55 -0.886 0.742 9.139 1.00 0.00 C ATOM 878 CD2 LEU A 55 0.984 -0.879 8.818 1.00 0.00 C ATOM 0 H LEU A 55 3.457 1.933 10.646 1.00 0.00 H new ATOM 0 HA LEU A 55 1.779 1.311 8.341 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.042 0.502 10.954 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.737 1.656 11.146 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.145 -0.619 10.638 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.587 0.019 8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.403 1.375 9.860 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.483 1.360 8.337 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.286 -1.604 8.399 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.383 -0.255 8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.802 -1.406 9.310 1.00 0.00 H new ATOM 890 N SER A 56 1.349 4.180 9.818 1.00 0.00 N ATOM 891 CA SER A 56 0.599 5.458 9.661 1.00 0.00 C ATOM 892 C SER A 56 0.677 5.910 8.202 1.00 0.00 C ATOM 893 O SER A 56 -0.314 6.284 7.604 1.00 0.00 O ATOM 894 CB SER A 56 1.311 6.453 10.576 1.00 0.00 C ATOM 895 OG SER A 56 0.345 7.237 11.262 1.00 0.00 O ATOM 0 H SER A 56 2.102 4.196 10.506 1.00 0.00 H new ATOM 0 HA SER A 56 -0.456 5.366 9.919 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.939 5.922 11.291 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.969 7.096 9.991 1.00 0.00 H new ATOM 0 HG SER A 56 0.800 7.875 11.851 1.00 0.00 H new ATOM 901 N GLU A 57 1.838 5.842 7.609 1.00 0.00 N ATOM 902 CA GLU A 57 1.953 6.234 6.178 1.00 0.00 C ATOM 903 C GLU A 57 1.280 5.161 5.326 1.00 0.00 C ATOM 904 O GLU A 57 0.648 5.450 4.330 1.00 0.00 O ATOM 905 CB GLU A 57 3.450 6.332 5.877 1.00 0.00 C ATOM 906 CG GLU A 57 4.150 5.041 6.289 1.00 0.00 C ATOM 907 CD GLU A 57 5.546 4.997 5.671 1.00 0.00 C ATOM 908 OE1 GLU A 57 5.944 5.990 5.085 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.195 3.973 5.795 1.00 0.00 O ATOM 0 H GLU A 57 2.705 5.534 8.050 1.00 0.00 H new ATOM 0 HA GLU A 57 1.468 7.185 5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.604 6.516 4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.883 7.177 6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.220 4.984 7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.569 4.179 5.961 1.00 0.00 H new ATOM 916 N LYS A 58 1.389 3.920 5.726 1.00 0.00 N ATOM 917 CA LYS A 58 0.725 2.837 4.948 1.00 0.00 C ATOM 918 C LYS A 58 -0.779 3.106 4.895 1.00 0.00 C ATOM 919 O LYS A 58 -1.411 2.981 3.865 1.00 0.00 O ATOM 920 CB LYS A 58 1.014 1.552 5.725 1.00 0.00 C ATOM 921 CG LYS A 58 2.483 1.174 5.539 1.00 0.00 C ATOM 922 CD LYS A 58 2.629 -0.346 5.546 1.00 0.00 C ATOM 923 CE LYS A 58 3.296 -0.790 6.850 1.00 0.00 C ATOM 924 NZ LYS A 58 4.638 -1.292 6.440 1.00 0.00 N ATOM 0 H LYS A 58 1.905 3.614 6.551 1.00 0.00 H new ATOM 0 HA LYS A 58 1.085 2.772 3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.794 1.695 6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.371 0.746 5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.857 1.580 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.084 1.610 6.337 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.651 -0.816 5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.225 -0.668 4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.382 0.039 7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.717 -1.569 7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.226 -1.440 7.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.531 -2.192 5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.095 -0.594 5.818 1.00 0.00 H new ATOM 938 N LYS A 59 -1.354 3.494 6.001 1.00 0.00 N ATOM 939 CA LYS A 59 -2.814 3.790 6.019 1.00 0.00 C ATOM 940 C LYS A 59 -3.100 5.020 5.156 1.00 0.00 C ATOM 941 O LYS A 59 -4.060 5.061 4.413 1.00 0.00 O ATOM 942 CB LYS A 59 -3.140 4.077 7.483 1.00 0.00 C ATOM 943 CG LYS A 59 -2.662 2.912 8.349 1.00 0.00 C ATOM 944 CD LYS A 59 -3.852 2.325 9.112 1.00 0.00 C ATOM 945 CE LYS A 59 -3.641 2.525 10.614 1.00 0.00 C ATOM 946 NZ LYS A 59 -4.181 3.884 10.900 1.00 0.00 N ATOM 0 H LYS A 59 -0.875 3.619 6.893 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.413 2.970 5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.657 5.002 7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.214 4.219 7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.202 2.146 7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.900 3.254 9.049 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.776 2.809 8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.955 1.264 8.886 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.164 1.763 11.191 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.586 2.456 10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.072 4.095 11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.659 4.589 10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.189 3.918 10.646 1.00 0.00 H new ATOM 960 N GLN A 60 -2.265 6.021 5.242 1.00 0.00 N ATOM 961 CA GLN A 60 -2.485 7.240 4.416 1.00 0.00 C ATOM 962 C GLN A 60 -2.443 6.862 2.936 1.00 0.00 C ATOM 963 O GLN A 60 -3.238 7.323 2.142 1.00 0.00 O ATOM 964 CB GLN A 60 -1.325 8.173 4.764 1.00 0.00 C ATOM 965 CG GLN A 60 -1.625 8.902 6.075 1.00 0.00 C ATOM 966 CD GLN A 60 -0.451 9.818 6.426 1.00 0.00 C ATOM 967 OE1 GLN A 60 0.185 9.646 7.446 1.00 0.00 O ATOM 968 NE2 GLN A 60 -0.134 10.790 5.615 1.00 0.00 N ATOM 0 H GLN A 60 -1.444 6.046 5.846 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.449 7.711 4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.402 7.602 4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.173 8.895 3.962 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.540 9.486 5.978 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.790 8.181 6.876 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.668 10.934 4.758 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.648 11.406 5.838 1.00 0.00 H new ATOM 977 N ALA A 61 -1.525 6.012 2.564 1.00 0.00 N ATOM 978 CA ALA A 61 -1.436 5.589 1.139 1.00 0.00 C ATOM 979 C ALA A 61 -2.665 4.754 0.775 1.00 0.00 C ATOM 980 O ALA A 61 -3.221 4.885 -0.297 1.00 0.00 O ATOM 981 CB ALA A 61 -0.167 4.740 1.053 1.00 0.00 C ATOM 0 H ALA A 61 -0.833 5.593 3.186 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.401 6.435 0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.032 4.390 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.693 5.341 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.257 3.883 1.721 1.00 0.00 H new ATOM 987 N PHE A 62 -3.098 3.902 1.666 1.00 0.00 N ATOM 988 CA PHE A 62 -4.296 3.068 1.373 1.00 0.00 C ATOM 989 C PHE A 62 -5.528 3.965 1.236 1.00 0.00 C ATOM 990 O PHE A 62 -6.320 3.816 0.325 1.00 0.00 O ATOM 991 CB PHE A 62 -4.438 2.142 2.579 1.00 0.00 C ATOM 992 CG PHE A 62 -5.799 1.494 2.552 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.361 1.101 1.333 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.498 1.285 3.745 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.621 0.501 1.303 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.761 0.682 3.719 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.323 0.290 2.497 1.00 0.00 C ATOM 0 H PHE A 62 -2.674 3.749 2.581 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.199 2.508 0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.659 1.380 2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.310 2.706 3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.819 1.262 0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.064 1.589 4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.054 0.200 0.361 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.301 0.519 4.640 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.298 -0.175 2.475 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.686 4.910 2.123 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.856 5.826 2.024 1.00 0.00 C ATOM 1009 C ASN A 63 -6.770 6.589 0.706 1.00 0.00 C ATOM 1010 O ASN A 63 -7.746 6.763 0.005 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.729 6.778 3.214 1.00 0.00 C ATOM 1012 CG ASN A 63 -8.096 7.389 3.527 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -8.481 8.378 2.936 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -8.850 6.838 4.437 1.00 0.00 N ATOM 0 H ASN A 63 -5.059 5.086 2.908 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.811 5.302 2.044 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.351 6.241 4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.010 7.565 2.988 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.763 7.237 4.653 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.526 6.008 4.933 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.592 7.025 0.356 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.417 7.753 -0.929 1.00 0.00 C ATOM 1023 C ALA A 64 -5.698 6.794 -2.083 1.00 0.00 C ATOM 1024 O ALA A 64 -6.230 7.171 -3.109 1.00 0.00 O ATOM 1025 CB ALA A 64 -3.955 8.200 -0.939 1.00 0.00 C ATOM 0 H ALA A 64 -4.742 6.908 0.907 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.091 8.603 -1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.748 8.746 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.767 8.847 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.307 7.326 -0.882 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.353 5.544 -1.912 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.607 4.546 -2.986 1.00 0.00 C ATOM 1033 C TYR A 65 -7.111 4.446 -3.246 1.00 0.00 C ATOM 1034 O TYR A 65 -7.556 4.403 -4.376 1.00 0.00 O ATOM 1035 CB TYR A 65 -5.062 3.223 -2.434 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.664 2.070 -3.202 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -5.041 1.606 -4.368 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.846 1.470 -2.751 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.602 0.542 -5.084 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.406 0.406 -3.468 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.785 -0.058 -4.634 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.337 -1.107 -5.339 1.00 0.00 O ATOM 0 H TYR A 65 -4.906 5.174 -1.073 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.133 4.813 -3.931 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.975 3.202 -2.518 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.302 3.133 -1.375 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.129 2.069 -4.714 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.325 1.827 -1.851 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.123 0.184 -5.983 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.318 -0.057 -3.121 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.307 -1.121 -5.198 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.899 4.414 -2.206 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.374 4.324 -2.393 1.00 0.00 C ATOM 1054 C LYS A 66 -9.904 5.630 -2.989 1.00 0.00 C ATOM 1055 O LYS A 66 -10.761 5.630 -3.849 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.935 4.105 -0.988 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.240 2.907 -0.340 1.00 0.00 C ATOM 1058 CD LYS A 66 -10.175 2.268 0.687 1.00 0.00 C ATOM 1059 CE LYS A 66 -10.288 3.176 1.914 1.00 0.00 C ATOM 1060 NZ LYS A 66 -11.274 2.496 2.800 1.00 0.00 N ATOM 0 H LYS A 66 -7.585 4.446 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.662 3.523 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.784 4.998 -0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.010 3.932 -1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.966 2.177 -1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.316 3.226 0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.160 2.109 0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.795 1.289 0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.325 3.292 2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.627 4.174 1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.098 2.768 3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.237 2.779 2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.176 1.465 2.702 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.392 6.744 -2.540 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.858 8.051 -3.082 1.00 0.00 C ATOM 1076 C VAL A 67 -9.463 8.181 -4.555 1.00 0.00 C ATOM 1077 O VAL A 67 -10.085 8.895 -5.315 1.00 0.00 O ATOM 1078 CB VAL A 67 -9.138 9.106 -2.241 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -9.451 10.499 -2.787 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.610 9.007 -0.789 1.00 0.00 C ATOM 0 H VAL A 67 -8.671 6.805 -1.821 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.942 8.158 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.063 8.935 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.937 11.249 -2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.114 10.569 -3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.526 10.674 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.098 9.758 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.686 9.178 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.383 8.015 -0.400 1.00 0.00 H new