USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 300 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 919 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.1) USER MOD Set 1.2: A 920 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 907 CYS SG : rot 143:sc= 1.41 USER MOD Set 2.2: A 915 CYS SG : rot 180:sc= -2.28 USER MOD Set 2.3: A 921 CYS SG : rot -107:sc= -1.68 USER MOD Set 2.4: A 925 HIS : no HD1:sc= -2.28 X(o=-4.8,f=-5) USER MOD Single : A 897 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 901 THR OG1 : rot -102:sc= 0.19 USER MOD Single : A 903 TYR OH : rot 180:sc= 0 USER MOD Single : A 905 SER OG : rot 19:sc= 0.0522 USER MOD Single : A 910 TYR OH : rot 180:sc= 0 USER MOD Single : A 911 MET CE :methyl 162:sc= -0.0161 (180deg=-0.242) USER MOD Single : A 912 ASN :FLIP amide:sc= -0.653 F(o=-1.2,f=-0.65) USER MOD Single : A 914 THR OG1 : rot 180:sc= 0 USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 927 ASN : amide:sc= -1.24 X(o=-1.2,f=-1) USER MOD Single : A 931 HIS : no HD1:sc= -0.842 X(o=-0.84,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 155 N HIS A 897 -2.818 -2.099 -0.998 1.00 0.00 N ATOM 156 CA HIS A 897 -1.507 -2.622 -0.632 1.00 0.00 C ATOM 157 C HIS A 897 -1.013 -1.991 0.666 1.00 0.00 C ATOM 158 O HIS A 897 -1.616 -1.046 1.177 1.00 0.00 O ATOM 159 CB HIS A 897 -0.501 -2.364 -1.753 1.00 0.00 C ATOM 160 CG HIS A 897 -0.827 -3.081 -3.027 1.00 0.00 C ATOM 161 ND1 HIS A 897 -0.593 -4.426 -3.215 1.00 0.00 N ATOM 162 CD2 HIS A 897 -1.375 -2.631 -4.181 1.00 0.00 C ATOM 163 CE1 HIS A 897 -0.981 -4.773 -4.430 1.00 0.00 C ATOM 164 NE2 HIS A 897 -1.459 -3.702 -5.036 1.00 0.00 N ATOM 0 HA HIS A 897 -1.602 -3.697 -0.479 1.00 0.00 H new ATOM 0 HB2 HIS A 897 -0.456 -1.293 -1.950 1.00 0.00 H new ATOM 0 HB3 HIS A 897 0.490 -2.669 -1.418 1.00 0.00 H new ATOM 0 HD2 HIS A 897 -1.688 -1.619 -4.390 1.00 0.00 H new ATOM 0 HE1 HIS A 897 -0.918 -5.764 -4.855 1.00 0.00 H new ATOM 0 HE2 HIS A 897 -1.831 -3.675 -5.986 1.00 0.00 H new ATOM 172 N ARG A 898 0.086 -2.519 1.195 1.00 0.00 N ATOM 173 CA ARG A 898 0.659 -2.008 2.435 1.00 0.00 C ATOM 174 C ARG A 898 1.107 -0.559 2.269 1.00 0.00 C ATOM 175 O ARG A 898 1.006 0.013 1.184 1.00 0.00 O ATOM 176 CB ARG A 898 1.844 -2.873 2.868 1.00 0.00 C ATOM 177 CG ARG A 898 1.436 -4.208 3.469 1.00 0.00 C ATOM 178 CD ARG A 898 1.220 -5.261 2.393 1.00 0.00 C ATOM 179 NE ARG A 898 -0.163 -5.287 1.922 1.00 0.00 N ATOM 180 CZ ARG A 898 -1.140 -5.936 2.546 1.00 0.00 C ATOM 181 NH1 ARG A 898 -0.887 -6.610 3.659 1.00 0.00 N ATOM 182 NH2 ARG A 898 -2.372 -5.913 2.055 1.00 0.00 N ATOM 0 H ARG A 898 0.597 -3.300 0.785 1.00 0.00 H new ATOM 0 HA ARG A 898 -0.111 -2.047 3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 898 2.486 -3.053 2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 898 2.438 -2.322 3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 898 2.206 -4.547 4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 898 0.520 -4.083 4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 898 1.885 -5.062 1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 898 1.487 -6.242 2.787 1.00 0.00 H new ATOM 0 HE ARG A 898 -0.391 -4.779 1.067 1.00 0.00 H new ATOM 0 HH11 ARG A 898 0.060 -6.631 4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -1.639 -7.107 4.136 1.00 0.00 H new ATOM 0 HH21 ARG A 898 -2.570 -5.397 1.198 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -3.122 -6.412 2.535 1.00 0.00 H new ATOM 196 N PHE A 899 1.602 0.029 3.354 1.00 0.00 N ATOM 197 CA PHE A 899 2.064 1.412 3.330 1.00 0.00 C ATOM 198 C PHE A 899 3.587 1.478 3.392 1.00 0.00 C ATOM 199 O PHE A 899 4.237 0.730 4.123 1.00 0.00 O ATOM 200 CB PHE A 899 1.460 2.194 4.498 1.00 0.00 C ATOM 201 CG PHE A 899 1.671 3.678 4.399 1.00 0.00 C ATOM 202 CD1 PHE A 899 2.938 4.222 4.535 1.00 0.00 C ATOM 203 CD2 PHE A 899 0.601 4.529 4.169 1.00 0.00 C ATOM 204 CE1 PHE A 899 3.135 5.587 4.444 1.00 0.00 C ATOM 205 CE2 PHE A 899 0.792 5.894 4.076 1.00 0.00 C ATOM 206 CZ PHE A 899 2.060 6.425 4.215 1.00 0.00 C ATOM 0 H PHE A 899 1.693 -0.431 4.260 1.00 0.00 H new ATOM 0 HA PHE A 899 1.737 1.862 2.393 1.00 0.00 H new ATOM 0 HB2 PHE A 899 0.390 1.990 4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 899 1.896 1.834 5.430 1.00 0.00 H new ATOM 0 HD1 PHE A 899 3.782 3.572 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 899 -0.393 4.120 4.061 1.00 0.00 H new ATOM 0 HE1 PHE A 899 4.128 5.998 4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 899 -0.050 6.546 3.895 1.00 0.00 H new ATOM 0 HZ PHE A 899 2.211 7.492 4.145 1.00 0.00 H new ATOM 216 N PRO A 900 4.172 2.394 2.606 1.00 0.00 N ATOM 217 CA PRO A 900 5.625 2.580 2.553 1.00 0.00 C ATOM 218 C PRO A 900 6.179 3.185 3.838 1.00 0.00 C ATOM 219 O PRO A 900 6.184 4.405 4.011 1.00 0.00 O ATOM 220 CB PRO A 900 5.817 3.545 1.381 1.00 0.00 C ATOM 221 CG PRO A 900 4.530 4.289 1.288 1.00 0.00 C ATOM 222 CD PRO A 900 3.460 3.319 1.709 1.00 0.00 C ATOM 0 HA PRO A 900 6.153 1.634 2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 900 6.653 4.221 1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 900 6.031 3.008 0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 900 4.538 5.166 1.935 1.00 0.00 H new ATOM 0 HG3 PRO A 900 4.357 4.644 0.272 1.00 0.00 H new ATOM 0 HD2 PRO A 900 2.640 3.823 2.220 1.00 0.00 H new ATOM 0 HD3 PRO A 900 3.031 2.798 0.853 1.00 0.00 H new ATOM 230 N THR A 901 6.647 2.326 4.739 1.00 0.00 N ATOM 231 CA THR A 901 7.202 2.777 6.009 1.00 0.00 C ATOM 232 C THR A 901 7.929 4.108 5.850 1.00 0.00 C ATOM 233 O THR A 901 7.941 4.932 6.762 1.00 0.00 O ATOM 234 CB THR A 901 8.178 1.739 6.595 1.00 0.00 C ATOM 235 OG1 THR A 901 9.339 1.633 5.763 1.00 0.00 O ATOM 236 CG2 THR A 901 7.510 0.378 6.718 1.00 0.00 C ATOM 0 H THR A 901 6.652 1.314 4.612 1.00 0.00 H new ATOM 0 HA THR A 901 6.363 2.904 6.693 1.00 0.00 H new ATOM 0 HB THR A 901 8.474 2.072 7.590 1.00 0.00 H new ATOM 0 HG1 THR A 901 9.277 0.822 5.216 1.00 0.00 H new ATOM 0 HG21 THR A 901 8.218 -0.339 7.134 1.00 0.00 H new ATOM 0 HG22 THR A 901 6.644 0.456 7.375 1.00 0.00 H new ATOM 0 HG23 THR A 901 7.188 0.040 5.733 1.00 0.00 H new ATOM 244 N GLY A 902 8.534 4.311 4.683 1.00 0.00 N ATOM 245 CA GLY A 902 9.254 5.544 4.426 1.00 0.00 C ATOM 246 C GLY A 902 10.429 5.345 3.490 1.00 0.00 C ATOM 247 O GLY A 902 10.994 6.311 2.976 1.00 0.00 O ATOM 0 H GLY A 902 8.538 3.644 3.912 1.00 0.00 H new ATOM 0 HA2 GLY A 902 8.571 6.277 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 902 9.611 5.956 5.370 1.00 0.00 H new ATOM 251 N TYR A 903 10.801 4.089 3.269 1.00 0.00 N ATOM 252 CA TYR A 903 11.920 3.766 2.391 1.00 0.00 C ATOM 253 C TYR A 903 11.452 3.607 0.948 1.00 0.00 C ATOM 254 O TYR A 903 10.727 2.668 0.618 1.00 0.00 O ATOM 255 CB TYR A 903 12.609 2.483 2.860 1.00 0.00 C ATOM 256 CG TYR A 903 13.293 2.619 4.202 1.00 0.00 C ATOM 257 CD1 TYR A 903 12.554 2.682 5.377 1.00 0.00 C ATOM 258 CD2 TYR A 903 14.678 2.682 4.294 1.00 0.00 C ATOM 259 CE1 TYR A 903 13.175 2.807 6.605 1.00 0.00 C ATOM 260 CE2 TYR A 903 15.307 2.805 5.518 1.00 0.00 C ATOM 261 CZ TYR A 903 14.551 2.868 6.670 1.00 0.00 C ATOM 262 OH TYR A 903 15.173 2.990 7.891 1.00 0.00 O ATOM 0 H TYR A 903 10.344 3.278 3.686 1.00 0.00 H new ATOM 0 HA TYR A 903 12.632 4.590 2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 903 11.870 1.684 2.918 1.00 0.00 H new ATOM 0 HB3 TYR A 903 13.346 2.183 2.115 1.00 0.00 H new ATOM 0 HD1 TYR A 903 11.476 2.632 5.330 1.00 0.00 H new ATOM 0 HD2 TYR A 903 15.273 2.634 3.394 1.00 0.00 H new ATOM 0 HE1 TYR A 903 12.586 2.857 7.509 1.00 0.00 H new ATOM 0 HE2 TYR A 903 16.385 2.852 5.572 1.00 0.00 H new ATOM 0 HH TYR A 903 16.144 3.018 7.762 1.00 0.00 H new ATOM 272 N PHE A 904 11.874 4.531 0.091 1.00 0.00 N ATOM 273 CA PHE A 904 11.499 4.495 -1.318 1.00 0.00 C ATOM 274 C PHE A 904 12.410 3.553 -2.099 1.00 0.00 C ATOM 275 O PHE A 904 12.976 3.929 -3.126 1.00 0.00 O ATOM 276 CB PHE A 904 11.563 5.900 -1.920 1.00 0.00 C ATOM 277 CG PHE A 904 11.349 5.926 -3.407 1.00 0.00 C ATOM 278 CD1 PHE A 904 10.296 5.232 -3.980 1.00 0.00 C ATOM 279 CD2 PHE A 904 12.201 6.643 -4.230 1.00 0.00 C ATOM 280 CE1 PHE A 904 10.096 5.253 -5.348 1.00 0.00 C ATOM 281 CE2 PHE A 904 12.006 6.668 -5.598 1.00 0.00 C ATOM 282 CZ PHE A 904 10.953 5.972 -6.158 1.00 0.00 C ATOM 0 H PHE A 904 12.476 5.314 0.347 1.00 0.00 H new ATOM 0 HA PHE A 904 10.477 4.124 -1.387 1.00 0.00 H new ATOM 0 HB2 PHE A 904 10.810 6.526 -1.442 1.00 0.00 H new ATOM 0 HB3 PHE A 904 12.534 6.340 -1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 904 9.623 4.668 -3.351 1.00 0.00 H new ATOM 0 HD2 PHE A 904 13.027 7.189 -3.798 1.00 0.00 H new ATOM 0 HE1 PHE A 904 9.271 4.708 -5.782 1.00 0.00 H new ATOM 0 HE2 PHE A 904 12.677 7.232 -6.229 1.00 0.00 H new ATOM 0 HZ PHE A 904 10.800 5.990 -7.227 1.00 0.00 H new ATOM 292 N SER A 905 12.548 2.327 -1.605 1.00 0.00 N ATOM 293 CA SER A 905 13.393 1.331 -2.253 1.00 0.00 C ATOM 294 C SER A 905 12.781 -0.061 -2.135 1.00 0.00 C ATOM 295 O SER A 905 12.027 -0.342 -1.203 1.00 0.00 O ATOM 296 CB SER A 905 14.793 1.340 -1.635 1.00 0.00 C ATOM 297 OG SER A 905 15.586 2.377 -2.185 1.00 0.00 O ATOM 0 H SER A 905 12.085 1.999 -0.757 1.00 0.00 H new ATOM 0 HA SER A 905 13.468 1.586 -3.310 1.00 0.00 H new ATOM 0 HB2 SER A 905 14.717 1.470 -0.555 1.00 0.00 H new ATOM 0 HB3 SER A 905 15.276 0.378 -1.807 1.00 0.00 H new ATOM 0 HG SER A 905 15.005 3.042 -2.610 1.00 0.00 H new ATOM 303 N ILE A 906 13.112 -0.928 -3.086 1.00 0.00 N ATOM 304 CA ILE A 906 12.596 -2.292 -3.089 1.00 0.00 C ATOM 305 C ILE A 906 13.451 -3.205 -2.217 1.00 0.00 C ATOM 306 O ILE A 906 14.680 -3.122 -2.230 1.00 0.00 O ATOM 307 CB ILE A 906 12.538 -2.869 -4.515 1.00 0.00 C ATOM 308 CG1 ILE A 906 11.317 -2.325 -5.260 1.00 0.00 C ATOM 309 CG2 ILE A 906 12.504 -4.389 -4.470 1.00 0.00 C ATOM 310 CD1 ILE A 906 10.978 -3.102 -6.513 1.00 0.00 C ATOM 0 H ILE A 906 13.735 -0.711 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 906 11.585 -2.248 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 906 13.435 -2.561 -5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 906 10.457 -2.338 -4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 906 11.498 -1.284 -5.526 1.00 0.00 H new ATOM 0 HG21 ILE A 906 12.463 -4.782 -5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 906 13.401 -4.758 -3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 906 11.623 -4.717 -3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 906 10.103 -2.661 -6.989 1.00 0.00 H new ATOM 0 HD12 ILE A 906 11.822 -3.068 -7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 906 10.765 -4.139 -6.252 1.00 0.00 H new ATOM 322 N CYS A 907 12.794 -4.077 -1.461 1.00 0.00 N ATOM 323 CA CYS A 907 13.493 -5.008 -0.583 1.00 0.00 C ATOM 324 C CYS A 907 14.401 -5.936 -1.386 1.00 0.00 C ATOM 325 O CYS A 907 14.034 -6.397 -2.467 1.00 0.00 O ATOM 326 CB CYS A 907 12.489 -5.833 0.225 1.00 0.00 C ATOM 327 SG CYS A 907 13.165 -6.523 1.769 1.00 0.00 S ATOM 0 H CYS A 907 11.778 -4.159 -1.438 1.00 0.00 H new ATOM 0 HA CYS A 907 14.110 -4.427 0.102 1.00 0.00 H new ATOM 0 HB2 CYS A 907 11.630 -5.206 0.465 1.00 0.00 H new ATOM 0 HB3 CYS A 907 12.123 -6.651 -0.396 1.00 0.00 H new ATOM 0 HG CYS A 907 12.256 -6.482 2.697 1.00 0.00 H new ATOM 332 N ASP A 908 15.586 -6.205 -0.850 1.00 0.00 N ATOM 333 CA ASP A 908 16.545 -7.079 -1.515 1.00 0.00 C ATOM 334 C ASP A 908 16.218 -8.546 -1.251 1.00 0.00 C ATOM 335 O ASP A 908 16.510 -9.414 -2.074 1.00 0.00 O ATOM 336 CB ASP A 908 17.965 -6.767 -1.040 1.00 0.00 C ATOM 337 CG ASP A 908 18.366 -7.591 0.168 1.00 0.00 C ATOM 338 OD1 ASP A 908 17.935 -7.249 1.289 1.00 0.00 O ATOM 339 OD2 ASP A 908 19.110 -8.578 -0.009 1.00 0.00 O ATOM 0 H ASP A 908 15.906 -5.830 0.043 1.00 0.00 H new ATOM 0 HA ASP A 908 16.481 -6.899 -2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 908 18.666 -6.955 -1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 908 18.038 -5.708 -0.794 1.00 0.00 H new ATOM 344 N ARG A 909 15.613 -8.814 -0.099 1.00 0.00 N ATOM 345 CA ARG A 909 15.248 -10.176 0.273 1.00 0.00 C ATOM 346 C ARG A 909 14.073 -10.673 -0.564 1.00 0.00 C ATOM 347 O ARG A 909 14.046 -11.827 -0.990 1.00 0.00 O ATOM 348 CB ARG A 909 14.893 -10.243 1.760 1.00 0.00 C ATOM 349 CG ARG A 909 15.918 -9.573 2.661 1.00 0.00 C ATOM 350 CD ARG A 909 17.243 -10.320 2.649 1.00 0.00 C ATOM 351 NE ARG A 909 18.378 -9.422 2.846 1.00 0.00 N ATOM 352 CZ ARG A 909 19.583 -9.834 3.224 1.00 0.00 C ATOM 353 NH1 ARG A 909 19.809 -11.122 3.443 1.00 0.00 N ATOM 354 NH2 ARG A 909 20.566 -8.957 3.382 1.00 0.00 N ATOM 0 H ARG A 909 15.365 -8.107 0.593 1.00 0.00 H new ATOM 0 HA ARG A 909 16.106 -10.820 0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 909 13.922 -9.772 1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 909 14.791 -11.288 2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 909 16.075 -8.545 2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 909 15.534 -9.528 3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 909 17.239 -11.077 3.433 1.00 0.00 H new ATOM 0 HD3 ARG A 909 17.355 -10.844 1.700 1.00 0.00 H new ATOM 0 HE ARG A 909 18.238 -8.425 2.685 1.00 0.00 H new ATOM 0 HH11 ARG A 909 19.056 -11.800 3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 909 20.735 -11.435 3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 909 20.397 -7.965 3.213 1.00 0.00 H new ATOM 0 HH22 ARG A 909 21.491 -9.274 3.672 1.00 0.00 H new ATOM 368 N TYR A 910 13.105 -9.793 -0.796 1.00 0.00 N ATOM 369 CA TYR A 910 11.926 -10.143 -1.579 1.00 0.00 C ATOM 370 C TYR A 910 12.283 -10.315 -3.053 1.00 0.00 C ATOM 371 O TYR A 910 11.983 -11.343 -3.659 1.00 0.00 O ATOM 372 CB TYR A 910 10.849 -9.069 -1.426 1.00 0.00 C ATOM 373 CG TYR A 910 9.603 -9.339 -2.240 1.00 0.00 C ATOM 374 CD1 TYR A 910 8.693 -10.313 -1.849 1.00 0.00 C ATOM 375 CD2 TYR A 910 9.338 -8.622 -3.400 1.00 0.00 C ATOM 376 CE1 TYR A 910 7.554 -10.565 -2.590 1.00 0.00 C ATOM 377 CE2 TYR A 910 8.202 -8.866 -4.146 1.00 0.00 C ATOM 378 CZ TYR A 910 7.313 -9.838 -3.737 1.00 0.00 C ATOM 379 OH TYR A 910 6.180 -10.084 -4.479 1.00 0.00 O ATOM 0 H TYR A 910 13.114 -8.832 -0.453 1.00 0.00 H new ATOM 0 HA TYR A 910 11.540 -11.091 -1.204 1.00 0.00 H new ATOM 0 HB2 TYR A 910 10.575 -8.989 -0.374 1.00 0.00 H new ATOM 0 HB3 TYR A 910 11.264 -8.106 -1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 910 8.879 -10.883 -0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 910 10.032 -7.861 -3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 910 6.857 -11.327 -2.273 1.00 0.00 H new ATOM 0 HE2 TYR A 910 8.011 -8.299 -5.045 1.00 0.00 H new ATOM 0 HH TYR A 910 6.161 -9.485 -5.255 1.00 0.00 H new ATOM 389 N MET A 911 12.925 -9.300 -3.621 1.00 0.00 N ATOM 390 CA MET A 911 13.325 -9.339 -5.023 1.00 0.00 C ATOM 391 C MET A 911 14.129 -10.600 -5.325 1.00 0.00 C ATOM 392 O MET A 911 13.856 -11.303 -6.297 1.00 0.00 O ATOM 393 CB MET A 911 14.149 -8.099 -5.375 1.00 0.00 C ATOM 394 CG MET A 911 13.306 -6.915 -5.820 1.00 0.00 C ATOM 395 SD MET A 911 12.477 -7.206 -7.395 1.00 0.00 S ATOM 396 CE MET A 911 10.764 -7.252 -6.872 1.00 0.00 C ATOM 0 H MET A 911 13.179 -8.441 -3.133 1.00 0.00 H new ATOM 0 HA MET A 911 12.421 -9.351 -5.632 1.00 0.00 H new ATOM 0 HB2 MET A 911 14.740 -7.808 -4.507 1.00 0.00 H new ATOM 0 HB3 MET A 911 14.852 -8.353 -6.169 1.00 0.00 H new ATOM 0 HG2 MET A 911 12.560 -6.697 -5.056 1.00 0.00 H new ATOM 0 HG3 MET A 911 13.941 -6.033 -5.906 1.00 0.00 H new ATOM 0 HE1 MET A 911 10.116 -7.104 -7.736 1.00 0.00 H new ATOM 0 HE2 MET A 911 10.548 -8.219 -6.418 1.00 0.00 H new ATOM 0 HE3 MET A 911 10.585 -6.461 -6.144 1.00 0.00 H new ATOM 406 N ASN A 912 15.120 -10.880 -4.485 1.00 0.00 N ATOM 407 CA ASN A 912 15.964 -12.056 -4.663 1.00 0.00 C ATOM 408 C ASN A 912 15.116 -13.306 -4.875 1.00 0.00 C ATOM 409 O ASN A 912 15.421 -14.139 -5.728 1.00 0.00 O ATOM 410 CB ASN A 912 16.876 -12.244 -3.449 1.00 0.00 C ATOM 411 CG ASN A 912 18.199 -11.520 -3.602 1.00 0.00 C ATOM 412 OD1 ASN A 912 18.136 -10.218 -3.855 1.00 0.00 O flip ATOM 413 ND2 ASN A 912 19.266 -12.125 -3.495 1.00 0.00 N flip ATOM 0 H ASN A 912 15.358 -10.309 -3.674 1.00 0.00 H new ATOM 0 HA ASN A 912 16.579 -11.901 -5.550 1.00 0.00 H new ATOM 0 HB2 ASN A 912 16.367 -11.881 -2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 912 17.062 -13.307 -3.299 1.00 0.00 H new ATOM 0 HD21 ASN A 912 19.267 -13.126 -3.300 1.00 0.00 H new ATOM 0 HD22 ASN A 912 20.149 -11.625 -3.601 1.00 0.00 H new ATOM 420 N GLY A 913 14.048 -13.431 -4.092 1.00 0.00 N ATOM 421 CA GLY A 913 13.172 -14.582 -4.209 1.00 0.00 C ATOM 422 C GLY A 913 12.274 -14.752 -3.000 1.00 0.00 C ATOM 423 O GLY A 913 11.055 -14.868 -3.133 1.00 0.00 O ATOM 0 H GLY A 913 13.774 -12.755 -3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 913 12.557 -14.477 -5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 913 13.774 -15.481 -4.340 1.00 0.00 H new ATOM 427 N THR A 914 12.877 -14.770 -1.815 1.00 0.00 N ATOM 428 CA THR A 914 12.124 -14.931 -0.578 1.00 0.00 C ATOM 429 C THR A 914 12.641 -13.992 0.506 1.00 0.00 C ATOM 430 O THR A 914 13.846 -13.898 0.738 1.00 0.00 O ATOM 431 CB THR A 914 12.195 -16.380 -0.061 1.00 0.00 C ATOM 432 OG1 THR A 914 11.300 -16.552 1.043 1.00 0.00 O ATOM 433 CG2 THR A 914 13.611 -16.733 0.368 1.00 0.00 C ATOM 0 H THR A 914 13.884 -14.675 -1.686 1.00 0.00 H new ATOM 0 HA THR A 914 11.087 -14.684 -0.805 1.00 0.00 H new ATOM 0 HB THR A 914 11.901 -17.046 -0.873 1.00 0.00 H new ATOM 0 HG1 THR A 914 11.351 -17.477 1.364 1.00 0.00 H new ATOM 0 HG21 THR A 914 13.636 -17.761 0.729 1.00 0.00 H new ATOM 0 HG22 THR A 914 14.285 -16.631 -0.483 1.00 0.00 H new ATOM 0 HG23 THR A 914 13.928 -16.060 1.165 1.00 0.00 H new ATOM 441 N CYS A 915 11.721 -13.297 1.168 1.00 0.00 N ATOM 442 CA CYS A 915 12.083 -12.365 2.229 1.00 0.00 C ATOM 443 C CYS A 915 11.495 -12.806 3.566 1.00 0.00 C ATOM 444 O CYS A 915 10.371 -13.303 3.644 1.00 0.00 O ATOM 445 CB CYS A 915 11.597 -10.955 1.885 1.00 0.00 C ATOM 446 SG CYS A 915 11.517 -9.828 3.314 1.00 0.00 S ATOM 0 H CYS A 915 10.719 -13.362 0.988 1.00 0.00 H new ATOM 0 HA CYS A 915 13.169 -12.357 2.316 1.00 0.00 H new ATOM 0 HB2 CYS A 915 12.261 -10.526 1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 915 10.607 -11.023 1.434 1.00 0.00 H new ATOM 0 HG CYS A 915 11.098 -8.661 2.923 1.00 0.00 H new ATOM 451 N PRO A 916 12.271 -12.621 4.644 1.00 0.00 N ATOM 452 CA PRO A 916 11.848 -12.992 5.997 1.00 0.00 C ATOM 453 C PRO A 916 10.735 -12.093 6.523 1.00 0.00 C ATOM 454 O PRO A 916 9.772 -12.570 7.124 1.00 0.00 O ATOM 455 CB PRO A 916 13.120 -12.811 6.829 1.00 0.00 C ATOM 456 CG PRO A 916 13.922 -11.803 6.079 1.00 0.00 C ATOM 457 CD PRO A 916 13.622 -12.035 4.624 1.00 0.00 C ATOM 0 HA PRO A 916 11.439 -14.002 6.033 1.00 0.00 H new ATOM 0 HB2 PRO A 916 12.889 -12.463 7.836 1.00 0.00 H new ATOM 0 HB3 PRO A 916 13.662 -13.751 6.933 1.00 0.00 H new ATOM 0 HG2 PRO A 916 13.652 -10.790 6.376 1.00 0.00 H new ATOM 0 HG3 PRO A 916 14.986 -11.922 6.282 1.00 0.00 H new ATOM 0 HD2 PRO A 916 13.649 -11.106 4.055 1.00 0.00 H new ATOM 0 HD3 PRO A 916 14.346 -12.710 4.167 1.00 0.00 H new ATOM 465 N GLU A 917 10.873 -10.791 6.294 1.00 0.00 N ATOM 466 CA GLU A 917 9.878 -9.826 6.746 1.00 0.00 C ATOM 467 C GLU A 917 8.505 -10.145 6.160 1.00 0.00 C ATOM 468 O GLU A 917 7.543 -10.370 6.892 1.00 0.00 O ATOM 469 CB GLU A 917 10.295 -8.408 6.354 1.00 0.00 C ATOM 470 CG GLU A 917 11.613 -7.968 6.970 1.00 0.00 C ATOM 471 CD GLU A 917 11.499 -7.698 8.458 1.00 0.00 C ATOM 472 OE1 GLU A 917 11.669 -8.650 9.248 1.00 0.00 O ATOM 473 OE2 GLU A 917 11.241 -6.535 8.832 1.00 0.00 O ATOM 0 H GLU A 917 11.664 -10.380 5.798 1.00 0.00 H new ATOM 0 HA GLU A 917 9.814 -9.891 7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 917 10.373 -8.349 5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 917 9.512 -7.712 6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 917 12.364 -8.739 6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 917 11.962 -7.067 6.466 1.00 0.00 H new ATOM 480 N GLY A 918 8.425 -10.162 4.833 1.00 0.00 N ATOM 481 CA GLY A 918 7.167 -10.454 4.170 1.00 0.00 C ATOM 482 C GLY A 918 6.315 -9.216 3.973 1.00 0.00 C ATOM 483 O GLY A 918 6.625 -8.367 3.138 1.00 0.00 O ATOM 0 H GLY A 918 9.208 -9.979 4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 918 7.368 -10.911 3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 918 6.611 -11.184 4.758 1.00 0.00 H new ATOM 487 N ASN A 919 5.237 -9.112 4.744 1.00 0.00 N ATOM 488 CA ASN A 919 4.336 -7.970 4.649 1.00 0.00 C ATOM 489 C ASN A 919 4.696 -6.905 5.681 1.00 0.00 C ATOM 490 O ASN A 919 4.439 -5.718 5.479 1.00 0.00 O ATOM 491 CB ASN A 919 2.887 -8.418 4.848 1.00 0.00 C ATOM 492 CG ASN A 919 2.537 -8.612 6.311 1.00 0.00 C ATOM 493 OD1 ASN A 919 2.671 -9.709 6.853 1.00 0.00 O ATOM 494 ND2 ASN A 919 2.085 -7.543 6.957 1.00 0.00 N ATOM 0 H ASN A 919 4.967 -9.805 5.442 1.00 0.00 H new ATOM 0 HA ASN A 919 4.442 -7.538 3.654 1.00 0.00 H new ATOM 0 HB2 ASN A 919 2.217 -7.676 4.412 1.00 0.00 H new ATOM 0 HB3 ASN A 919 2.721 -9.352 4.311 1.00 0.00 H new ATOM 0 HD21 ASN A 919 1.833 -7.612 7.943 1.00 0.00 H new ATOM 0 HD22 ASN A 919 1.990 -6.653 6.467 1.00 0.00 H new ATOM 501 N SER A 920 5.295 -7.338 6.786 1.00 0.00 N ATOM 502 CA SER A 920 5.688 -6.424 7.851 1.00 0.00 C ATOM 503 C SER A 920 7.073 -5.842 7.583 1.00 0.00 C ATOM 504 O SER A 920 7.761 -5.398 8.503 1.00 0.00 O ATOM 505 CB SER A 920 5.677 -7.144 9.200 1.00 0.00 C ATOM 506 OG SER A 920 4.356 -7.479 9.588 1.00 0.00 O ATOM 0 H SER A 920 5.519 -8.317 6.967 1.00 0.00 H new ATOM 0 HA SER A 920 4.968 -5.606 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 920 6.282 -8.049 9.138 1.00 0.00 H new ATOM 0 HB3 SER A 920 6.132 -6.508 9.959 1.00 0.00 H new ATOM 0 HG SER A 920 4.376 -7.940 10.453 1.00 0.00 H new ATOM 512 N CYS A 921 7.476 -5.848 6.317 1.00 0.00 N ATOM 513 CA CYS A 921 8.778 -5.322 5.926 1.00 0.00 C ATOM 514 C CYS A 921 8.753 -3.798 5.865 1.00 0.00 C ATOM 515 O CYS A 921 7.714 -3.173 6.079 1.00 0.00 O ATOM 516 CB CYS A 921 9.194 -5.891 4.568 1.00 0.00 C ATOM 517 SG CYS A 921 10.997 -5.985 4.322 1.00 0.00 S ATOM 0 H CYS A 921 6.919 -6.212 5.544 1.00 0.00 H new ATOM 0 HA CYS A 921 9.506 -5.626 6.678 1.00 0.00 H new ATOM 0 HB2 CYS A 921 8.771 -6.890 4.459 1.00 0.00 H new ATOM 0 HB3 CYS A 921 8.762 -5.274 3.780 1.00 0.00 H new ATOM 0 HG CYS A 921 11.369 -5.066 3.481 1.00 0.00 H new ATOM 522 N LYS A 922 9.905 -3.204 5.570 1.00 0.00 N ATOM 523 CA LYS A 922 10.017 -1.753 5.478 1.00 0.00 C ATOM 524 C LYS A 922 10.409 -1.326 4.067 1.00 0.00 C ATOM 525 O LYS A 922 10.590 -0.139 3.795 1.00 0.00 O ATOM 526 CB LYS A 922 11.048 -1.236 6.484 1.00 0.00 C ATOM 527 CG LYS A 922 12.388 -1.945 6.400 1.00 0.00 C ATOM 528 CD LYS A 922 13.287 -1.317 5.349 1.00 0.00 C ATOM 529 CE LYS A 922 14.056 -0.131 5.910 1.00 0.00 C ATOM 530 NZ LYS A 922 15.258 -0.561 6.676 1.00 0.00 N ATOM 0 H LYS A 922 10.775 -3.706 5.390 1.00 0.00 H new ATOM 0 HA LYS A 922 9.043 -1.323 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 922 11.200 -0.169 6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 922 10.649 -1.350 7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 922 12.882 -1.908 7.371 1.00 0.00 H new ATOM 0 HG3 LYS A 922 12.230 -2.997 6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 922 13.988 -2.063 4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 922 12.685 -0.993 4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 922 14.361 0.523 5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 922 13.402 0.452 6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 15.755 0.276 7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 14.966 -1.165 7.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 15.895 -1.096 6.051 1.00 0.00 H new ATOM 544 N PHE A 923 10.537 -2.300 3.173 1.00 0.00 N ATOM 545 CA PHE A 923 10.908 -2.024 1.790 1.00 0.00 C ATOM 546 C PHE A 923 9.772 -2.393 0.839 1.00 0.00 C ATOM 547 O PHE A 923 8.825 -3.079 1.223 1.00 0.00 O ATOM 548 CB PHE A 923 12.173 -2.798 1.414 1.00 0.00 C ATOM 549 CG PHE A 923 13.435 -2.172 1.936 1.00 0.00 C ATOM 550 CD1 PHE A 923 13.698 -0.829 1.721 1.00 0.00 C ATOM 551 CD2 PHE A 923 14.358 -2.927 2.642 1.00 0.00 C ATOM 552 CE1 PHE A 923 14.858 -0.250 2.200 1.00 0.00 C ATOM 553 CE2 PHE A 923 15.519 -2.354 3.124 1.00 0.00 C ATOM 554 CZ PHE A 923 15.771 -1.014 2.902 1.00 0.00 C ATOM 0 H PHE A 923 10.389 -3.288 3.381 1.00 0.00 H new ATOM 0 HA PHE A 923 11.104 -0.956 1.699 1.00 0.00 H new ATOM 0 HB2 PHE A 923 12.095 -3.815 1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 923 12.235 -2.872 0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 923 12.988 -0.227 1.173 1.00 0.00 H new ATOM 0 HD2 PHE A 923 14.168 -3.975 2.817 1.00 0.00 H new ATOM 0 HE1 PHE A 923 15.051 0.798 2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 923 16.229 -2.953 3.674 1.00 0.00 H new ATOM 0 HZ PHE A 923 16.679 -0.565 3.276 1.00 0.00 H new ATOM 564 N ALA A 924 9.875 -1.931 -0.403 1.00 0.00 N ATOM 565 CA ALA A 924 8.858 -2.213 -1.409 1.00 0.00 C ATOM 566 C ALA A 924 9.009 -3.626 -1.961 1.00 0.00 C ATOM 567 O ALA A 924 10.107 -4.044 -2.332 1.00 0.00 O ATOM 568 CB ALA A 924 8.934 -1.193 -2.535 1.00 0.00 C ATOM 0 H ALA A 924 10.652 -1.360 -0.736 1.00 0.00 H new ATOM 0 HA ALA A 924 7.880 -2.140 -0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 924 8.169 -1.415 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 924 8.769 -0.194 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 924 9.918 -1.238 -3.001 1.00 0.00 H new ATOM 574 N HIS A 925 7.901 -4.358 -2.013 1.00 0.00 N ATOM 575 CA HIS A 925 7.911 -5.725 -2.520 1.00 0.00 C ATOM 576 C HIS A 925 7.247 -5.800 -3.892 1.00 0.00 C ATOM 577 O HIS A 925 6.063 -6.114 -4.003 1.00 0.00 O ATOM 578 CB HIS A 925 7.196 -6.659 -1.543 1.00 0.00 C ATOM 579 CG HIS A 925 8.039 -7.058 -0.371 1.00 0.00 C ATOM 580 ND1 HIS A 925 7.781 -8.175 0.396 1.00 0.00 N ATOM 581 CD2 HIS A 925 9.141 -6.483 0.164 1.00 0.00 C ATOM 582 CE1 HIS A 925 8.687 -8.268 1.353 1.00 0.00 C ATOM 583 NE2 HIS A 925 9.525 -7.254 1.233 1.00 0.00 N ATOM 0 H HIS A 925 6.985 -4.027 -1.710 1.00 0.00 H new ATOM 0 HA HIS A 925 8.949 -6.042 -2.620 1.00 0.00 H new ATOM 0 HB2 HIS A 925 6.292 -6.169 -1.180 1.00 0.00 H new ATOM 0 HB3 HIS A 925 6.881 -7.556 -2.076 1.00 0.00 H new ATOM 0 HD2 HIS A 925 9.628 -5.584 -0.185 1.00 0.00 H new ATOM 0 HE1 HIS A 925 8.734 -9.041 2.105 1.00 0.00 H new ATOM 0 HE2 HIS A 925 10.327 -7.073 1.837 1.00 0.00 H new ATOM 591 N GLY A 926 8.019 -5.510 -4.934 1.00 0.00 N ATOM 592 CA GLY A 926 7.488 -5.549 -6.285 1.00 0.00 C ATOM 593 C GLY A 926 7.392 -4.172 -6.910 1.00 0.00 C ATOM 594 O GLY A 926 6.722 -3.288 -6.380 1.00 0.00 O ATOM 0 H GLY A 926 9.003 -5.249 -4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 926 8.124 -6.182 -6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 926 6.499 -6.008 -6.270 1.00 0.00 H new ATOM 598 N ASN A 927 8.066 -3.989 -8.041 1.00 0.00 N ATOM 599 CA ASN A 927 8.055 -2.709 -8.739 1.00 0.00 C ATOM 600 C ASN A 927 6.662 -2.088 -8.715 1.00 0.00 C ATOM 601 O ASN A 927 6.500 -0.913 -8.384 1.00 0.00 O ATOM 602 CB ASN A 927 8.520 -2.888 -10.186 1.00 0.00 C ATOM 603 CG ASN A 927 7.697 -3.918 -10.934 1.00 0.00 C ATOM 604 OD1 ASN A 927 6.760 -3.576 -11.656 1.00 0.00 O ATOM 605 ND2 ASN A 927 8.043 -5.189 -10.765 1.00 0.00 N ATOM 0 H ASN A 927 8.627 -4.711 -8.493 1.00 0.00 H new ATOM 0 HA ASN A 927 8.742 -2.038 -8.224 1.00 0.00 H new ATOM 0 HB2 ASN A 927 8.459 -1.932 -10.705 1.00 0.00 H new ATOM 0 HB3 ASN A 927 9.568 -3.189 -10.194 1.00 0.00 H new ATOM 0 HD21 ASN A 927 7.525 -5.926 -11.243 1.00 0.00 H new ATOM 0 HD22 ASN A 927 8.827 -5.428 -10.157 1.00 0.00 H new ATOM 612 N ALA A 928 5.658 -2.885 -9.067 1.00 0.00 N ATOM 613 CA ALA A 928 4.279 -2.415 -9.082 1.00 0.00 C ATOM 614 C ALA A 928 3.876 -1.849 -7.725 1.00 0.00 C ATOM 615 O ALA A 928 3.407 -0.715 -7.630 1.00 0.00 O ATOM 616 CB ALA A 928 3.341 -3.543 -9.485 1.00 0.00 C ATOM 0 H ALA A 928 5.775 -3.859 -9.346 1.00 0.00 H new ATOM 0 HA ALA A 928 4.203 -1.614 -9.817 1.00 0.00 H new ATOM 0 HB1 ALA A 928 2.314 -3.177 -9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 928 3.606 -3.899 -10.481 1.00 0.00 H new ATOM 0 HB3 ALA A 928 3.430 -4.362 -8.772 1.00 0.00 H new ATOM 622 N GLU A 929 4.062 -2.646 -6.678 1.00 0.00 N ATOM 623 CA GLU A 929 3.715 -2.224 -5.326 1.00 0.00 C ATOM 624 C GLU A 929 4.357 -0.879 -4.995 1.00 0.00 C ATOM 625 O GLU A 929 3.750 -0.035 -4.334 1.00 0.00 O ATOM 626 CB GLU A 929 4.160 -3.277 -4.309 1.00 0.00 C ATOM 627 CG GLU A 929 3.464 -3.156 -2.963 1.00 0.00 C ATOM 628 CD GLU A 929 3.666 -4.379 -2.090 1.00 0.00 C ATOM 629 OE1 GLU A 929 4.752 -4.990 -2.166 1.00 0.00 O ATOM 630 OE2 GLU A 929 2.737 -4.724 -1.330 1.00 0.00 O ATOM 0 H GLU A 929 4.451 -3.587 -6.740 1.00 0.00 H new ATOM 0 HA GLU A 929 2.632 -2.114 -5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 929 3.970 -4.269 -4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 929 5.237 -3.194 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 929 3.840 -2.276 -2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 929 2.397 -3.000 -3.123 1.00 0.00 H new ATOM 637 N LEU A 930 5.587 -0.687 -5.459 1.00 0.00 N ATOM 638 CA LEU A 930 6.312 0.555 -5.213 1.00 0.00 C ATOM 639 C LEU A 930 5.530 1.755 -5.736 1.00 0.00 C ATOM 640 O LEU A 930 5.223 2.684 -4.987 1.00 0.00 O ATOM 641 CB LEU A 930 7.690 0.503 -5.874 1.00 0.00 C ATOM 642 CG LEU A 930 8.581 1.729 -5.667 1.00 0.00 C ATOM 643 CD1 LEU A 930 9.101 1.775 -4.238 1.00 0.00 C ATOM 644 CD2 LEU A 930 9.736 1.722 -6.657 1.00 0.00 C ATOM 0 H LEU A 930 6.103 -1.375 -6.007 1.00 0.00 H new ATOM 0 HA LEU A 930 6.436 0.667 -4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 930 8.218 -0.373 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 930 7.552 0.356 -6.945 1.00 0.00 H new ATOM 0 HG LEU A 930 7.983 2.623 -5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 930 9.733 2.654 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 930 8.260 1.828 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 930 9.683 0.876 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 930 10.359 2.601 -6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 930 10.334 0.822 -6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 930 9.344 1.738 -7.674 1.00 0.00 H new ATOM 656 N HIS A 931 5.208 1.729 -7.026 1.00 0.00 N ATOM 657 CA HIS A 931 4.458 2.814 -7.649 1.00 0.00 C ATOM 658 C HIS A 931 3.433 3.394 -6.678 1.00 0.00 C ATOM 659 O HIS A 931 3.458 4.586 -6.375 1.00 0.00 O ATOM 660 CB HIS A 931 3.756 2.317 -8.913 1.00 0.00 C ATOM 661 CG HIS A 931 4.673 1.624 -9.873 1.00 0.00 C ATOM 662 ND1 HIS A 931 4.219 0.842 -10.915 1.00 0.00 N ATOM 663 CD2 HIS A 931 6.024 1.600 -9.947 1.00 0.00 C ATOM 664 CE1 HIS A 931 5.252 0.365 -11.586 1.00 0.00 C ATOM 665 NE2 HIS A 931 6.359 0.811 -11.020 1.00 0.00 N ATOM 0 H HIS A 931 5.455 0.969 -7.660 1.00 0.00 H new ATOM 0 HA HIS A 931 5.162 3.601 -7.919 1.00 0.00 H new ATOM 0 HB2 HIS A 931 2.956 1.633 -8.630 1.00 0.00 H new ATOM 0 HB3 HIS A 931 3.289 3.164 -9.416 1.00 0.00 H new ATOM 0 HD2 HIS A 931 6.711 2.107 -9.285 1.00 0.00 H new ATOM 0 HE1 HIS A 931 5.200 -0.280 -12.451 1.00 0.00 H new ATOM 0 HE2 HIS A 931 7.308 0.603 -11.330 1.00 0.00 H new ATOM 673 N GLU A 932 2.535 2.542 -6.195 1.00 0.00 N ATOM 674 CA GLU A 932 1.501 2.971 -5.261 1.00 0.00 C ATOM 675 C GLU A 932 2.120 3.619 -4.025 1.00 0.00 C ATOM 676 O GLU A 932 1.687 4.685 -3.588 1.00 0.00 O ATOM 677 CB GLU A 932 0.632 1.782 -4.846 1.00 0.00 C ATOM 678 CG GLU A 932 -0.383 1.373 -5.900 1.00 0.00 C ATOM 679 CD GLU A 932 0.256 1.090 -7.246 1.00 0.00 C ATOM 680 OE1 GLU A 932 0.449 2.047 -8.024 1.00 0.00 O ATOM 681 OE2 GLU A 932 0.563 -0.089 -7.520 1.00 0.00 O ATOM 0 H GLU A 932 2.502 1.551 -6.435 1.00 0.00 H new ATOM 0 HA GLU A 932 0.877 3.710 -5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 932 1.277 0.931 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 932 0.106 2.031 -3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 932 -0.916 0.485 -5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 932 -1.123 2.165 -6.013 1.00 0.00 H new ATOM 688 N TRP A 933 3.133 2.966 -3.468 1.00 0.00 N ATOM 689 CA TRP A 933 3.812 3.478 -2.282 1.00 0.00 C ATOM 690 C TRP A 933 4.253 4.923 -2.488 1.00 0.00 C ATOM 691 O TRP A 933 4.028 5.777 -1.631 1.00 0.00 O ATOM 692 CB TRP A 933 5.022 2.605 -1.946 1.00 0.00 C ATOM 693 CG TRP A 933 4.702 1.482 -1.007 1.00 0.00 C ATOM 694 CD1 TRP A 933 3.465 0.971 -0.732 1.00 0.00 C ATOM 695 CD2 TRP A 933 5.632 0.732 -0.219 1.00 0.00 C ATOM 696 NE1 TRP A 933 3.572 -0.052 0.180 1.00 0.00 N ATOM 697 CE2 TRP A 933 4.891 -0.219 0.510 1.00 0.00 C ATOM 698 CE3 TRP A 933 7.020 0.769 -0.059 1.00 0.00 C ATOM 699 CZ2 TRP A 933 5.491 -1.120 1.384 1.00 0.00 C ATOM 700 CZ3 TRP A 933 7.615 -0.126 0.809 1.00 0.00 C ATOM 701 CH2 TRP A 933 6.852 -1.062 1.521 1.00 0.00 C ATOM 0 H TRP A 933 3.503 2.082 -3.817 1.00 0.00 H new ATOM 0 HA TRP A 933 3.109 3.448 -1.450 1.00 0.00 H new ATOM 0 HB2 TRP A 933 5.431 2.192 -2.868 1.00 0.00 H new ATOM 0 HB3 TRP A 933 5.799 3.228 -1.504 1.00 0.00 H new ATOM 0 HD1 TRP A 933 2.540 1.319 -1.167 1.00 0.00 H new ATOM 0 HE1 TRP A 933 2.795 -0.598 0.551 1.00 0.00 H new ATOM 0 HE3 TRP A 933 7.617 1.485 -0.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 933 4.904 -1.840 1.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 933 8.687 -0.104 0.941 1.00 0.00 H new ATOM 0 HH2 TRP A 933 7.347 -1.750 2.190 1.00 0.00 H new ATOM 712 N GLU A 934 4.880 5.189 -3.629 1.00 0.00 N ATOM 713 CA GLU A 934 5.353 6.532 -3.945 1.00 0.00 C ATOM 714 C GLU A 934 4.240 7.559 -3.755 1.00 0.00 C ATOM 715 O GLU A 934 4.502 8.724 -3.458 1.00 0.00 O ATOM 716 CB GLU A 934 5.873 6.588 -5.383 1.00 0.00 C ATOM 717 CG GLU A 934 7.114 5.742 -5.615 1.00 0.00 C ATOM 718 CD GLU A 934 7.666 5.889 -7.019 1.00 0.00 C ATOM 719 OE1 GLU A 934 7.143 5.222 -7.936 1.00 0.00 O ATOM 720 OE2 GLU A 934 8.622 6.672 -7.201 1.00 0.00 O ATOM 0 H GLU A 934 5.072 4.493 -4.350 1.00 0.00 H new ATOM 0 HA GLU A 934 6.167 6.773 -3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 934 5.085 6.255 -6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 934 6.096 7.624 -5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 934 7.882 6.025 -4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 934 6.875 4.695 -5.430 1.00 0.00 H new ATOM 727 N GLU A 935 2.999 7.117 -3.929 1.00 0.00 N ATOM 728 CA GLU A 935 1.847 7.998 -3.778 1.00 0.00 C ATOM 729 C GLU A 935 1.400 8.065 -2.320 1.00 0.00 C ATOM 730 O GLU A 935 1.220 9.148 -1.765 1.00 0.00 O ATOM 731 CB GLU A 935 0.689 7.516 -4.655 1.00 0.00 C ATOM 732 CG GLU A 935 0.954 7.659 -6.145 1.00 0.00 C ATOM 733 CD GLU A 935 1.253 9.090 -6.549 1.00 0.00 C ATOM 734 OE1 GLU A 935 0.823 10.013 -5.827 1.00 0.00 O ATOM 735 OE2 GLU A 935 1.919 9.286 -7.587 1.00 0.00 O ATOM 0 H GLU A 935 2.765 6.155 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 935 2.143 8.998 -4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 935 0.485 6.469 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 935 -0.209 8.078 -4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 935 1.795 7.023 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 935 0.087 7.302 -6.701 1.00 0.00 H new ATOM 742 N ARG A 936 1.225 6.899 -1.707 1.00 0.00 N ATOM 743 CA ARG A 936 0.798 6.824 -0.315 1.00 0.00 C ATOM 744 C ARG A 936 1.542 7.848 0.537 1.00 0.00 C ATOM 745 O ARG A 936 0.959 8.830 0.996 1.00 0.00 O ATOM 746 CB ARG A 936 1.033 5.417 0.238 1.00 0.00 C ATOM 747 CG ARG A 936 0.549 4.311 -0.686 1.00 0.00 C ATOM 748 CD ARG A 936 0.410 2.989 0.053 1.00 0.00 C ATOM 749 NE ARG A 936 -0.952 2.773 0.534 1.00 0.00 N ATOM 750 CZ ARG A 936 -1.988 2.553 -0.266 1.00 0.00 C ATOM 751 NH1 ARG A 936 -1.820 2.520 -1.581 1.00 0.00 N ATOM 752 NH2 ARG A 936 -3.197 2.365 0.248 1.00 0.00 N ATOM 0 H ARG A 936 1.372 5.993 -2.152 1.00 0.00 H new ATOM 0 HA ARG A 936 -0.268 7.049 -0.275 1.00 0.00 H new ATOM 0 HB2 ARG A 936 2.098 5.282 0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 936 0.527 5.324 1.199 1.00 0.00 H new ATOM 0 HG2 ARG A 936 -0.412 4.591 -1.118 1.00 0.00 H new ATOM 0 HG3 ARG A 936 1.249 4.195 -1.514 1.00 0.00 H new ATOM 0 HD2 ARG A 936 0.695 2.171 -0.609 1.00 0.00 H new ATOM 0 HD3 ARG A 936 1.100 2.971 0.897 1.00 0.00 H new ATOM 0 HE ARG A 936 -1.116 2.792 1.541 1.00 0.00 H new ATOM 0 HH11 ARG A 936 -0.893 2.664 -1.980 1.00 0.00 H new ATOM 0 HH12 ARG A 936 -2.618 2.351 -2.193 1.00 0.00 H new ATOM 0 HH21 ARG A 936 -3.331 2.390 1.259 1.00 0.00 H new ATOM 0 HH22 ARG A 936 -3.992 2.196 -0.368 1.00 0.00 H new ATOM 766 N ARG A 937 2.834 7.610 0.745 1.00 0.00 N ATOM 767 CA ARG A 937 3.657 8.510 1.543 1.00 0.00 C ATOM 768 C ARG A 937 3.526 9.949 1.050 1.00 0.00 C ATOM 769 O ARG A 937 3.224 10.856 1.825 1.00 0.00 O ATOM 770 CB ARG A 937 5.122 8.074 1.493 1.00 0.00 C ATOM 771 CG ARG A 937 5.889 8.368 2.773 1.00 0.00 C ATOM 772 CD ARG A 937 6.494 9.763 2.752 1.00 0.00 C ATOM 773 NE ARG A 937 6.837 10.230 4.093 1.00 0.00 N ATOM 774 CZ ARG A 937 7.754 11.160 4.335 1.00 0.00 C ATOM 775 NH1 ARG A 937 8.416 11.719 3.332 1.00 0.00 N ATOM 776 NH2 ARG A 937 8.009 11.533 5.582 1.00 0.00 N ATOM 0 H ARG A 937 3.332 6.802 0.372 1.00 0.00 H new ATOM 0 HA ARG A 937 3.306 8.464 2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 937 5.167 7.004 1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 937 5.614 8.577 0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 937 5.221 8.273 3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 937 6.680 7.629 2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 937 7.388 9.761 2.129 1.00 0.00 H new ATOM 0 HD3 ARG A 937 5.789 10.457 2.295 1.00 0.00 H new ATOM 0 HE ARG A 937 6.345 9.819 4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 937 8.222 11.435 2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 937 9.120 12.433 3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 937 7.501 11.106 6.356 1.00 0.00 H new ATOM 0 HH22 ARG A 937 8.713 12.247 5.767 1.00 0.00 H new ATOM 790 N ASP A 938 3.755 10.148 -0.243 1.00 0.00 N ATOM 791 CA ASP A 938 3.662 11.475 -0.840 1.00 0.00 C ATOM 792 C ASP A 938 2.414 12.204 -0.352 1.00 0.00 C ATOM 793 O ASP A 938 2.476 13.373 0.029 1.00 0.00 O ATOM 794 CB ASP A 938 3.644 11.371 -2.366 1.00 0.00 C ATOM 795 CG ASP A 938 5.032 11.199 -2.952 1.00 0.00 C ATOM 796 OD1 ASP A 938 5.900 10.626 -2.261 1.00 0.00 O ATOM 797 OD2 ASP A 938 5.249 11.637 -4.101 1.00 0.00 O ATOM 0 H ASP A 938 4.006 9.407 -0.898 1.00 0.00 H new ATOM 0 HA ASP A 938 4.538 12.047 -0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 938 3.021 10.527 -2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 938 3.186 12.268 -2.783 1.00 0.00 H new