USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 485 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 908 SER OG : rot 180:sc=-0.000695 USER MOD Set 1.2: A 949 HIS : no HD1:sc= -3.44! C(o=-3.4!,f=-9.3!) USER MOD Single : A 901 GLN : amide:sc= -0.0245 K(o=-0.025,f=-1) USER MOD Single : A 902 ASN : amide:sc= 0.0234 X(o=0.023,f=-0.35) USER MOD Single : A 904 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 910 MET CE :methyl -103:sc= -0.0316 (180deg=-2.16) USER MOD Single : A 913 SER OG : rot 180:sc= 0.11 USER MOD Single : A 914 SER OG : rot 180:sc= 0 USER MOD Single : A 917 SER OG : rot 180:sc= 0 USER MOD Single : A 919 SER OG : rot 180:sc= 0 USER MOD Single : A 921 THR OG1 : rot 129:sc= 1.07 USER MOD Single : A 924 THR OG1 : rot 70:sc= 1.15 USER MOD Single : A 927 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 929 HIS : no HD1:sc= -0.0869 X(o=-0.087,f=-0.33) USER MOD Single : A 933 SER OG : rot 180:sc= 0 USER MOD Single : A 935 SER OG : rot 90:sc= 0.373 USER MOD Single : A 942 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 944 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 947 ASN : amide:sc= -0.0878 K(o=-0.088,f=-2!) USER MOD Single : A 954 THR OG1 : rot -5:sc= 0.683 USER MOD ----------------------------------------------------------------- ATOM 212 N ARG A 896 -5.917 -0.091 -12.253 1.00 0.00 N ATOM 213 CA ARG A 896 -5.521 0.434 -10.952 1.00 0.00 C ATOM 214 C ARG A 896 -5.450 -0.683 -9.915 1.00 0.00 C ATOM 215 O ARG A 896 -4.507 -0.752 -9.128 1.00 0.00 O ATOM 216 CB ARG A 896 -6.504 1.511 -10.492 1.00 0.00 C ATOM 217 CG ARG A 896 -6.190 2.075 -9.115 1.00 0.00 C ATOM 218 CD ARG A 896 -7.038 3.299 -8.807 1.00 0.00 C ATOM 219 NE ARG A 896 -8.380 2.936 -8.360 1.00 0.00 N ATOM 220 CZ ARG A 896 -9.385 2.676 -9.188 1.00 0.00 C ATOM 221 NH1 ARG A 896 -9.201 2.736 -10.500 1.00 0.00 N ATOM 222 NH2 ARG A 896 -10.578 2.353 -8.705 1.00 0.00 N ATOM 0 HA ARG A 896 -4.530 0.877 -11.052 1.00 0.00 H new ATOM 0 HB2 ARG A 896 -6.504 2.325 -11.217 1.00 0.00 H new ATOM 0 HB3 ARG A 896 -7.510 1.092 -10.483 1.00 0.00 H new ATOM 0 HG2 ARG A 896 -6.366 1.310 -8.359 1.00 0.00 H new ATOM 0 HG3 ARG A 896 -5.134 2.340 -9.061 1.00 0.00 H new ATOM 0 HD2 ARG A 896 -6.548 3.895 -8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 896 -7.109 3.924 -9.697 1.00 0.00 H new ATOM 0 HE ARG A 896 -8.555 2.879 -7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 896 -8.285 2.982 -10.876 1.00 0.00 H new ATOM 0 HH12 ARG A 896 -9.975 2.536 -11.133 1.00 0.00 H new ATOM 0 HH21 ARG A 896 -10.724 2.304 -7.697 1.00 0.00 H new ATOM 0 HH22 ARG A 896 -11.349 2.154 -9.342 1.00 0.00 H new ATOM 236 N GLU A 897 -6.455 -1.553 -9.920 1.00 0.00 N ATOM 237 CA GLU A 897 -6.507 -2.665 -8.978 1.00 0.00 C ATOM 238 C GLU A 897 -5.114 -3.239 -8.737 1.00 0.00 C ATOM 239 O GLU A 897 -4.646 -3.303 -7.601 1.00 0.00 O ATOM 240 CB GLU A 897 -7.439 -3.760 -9.499 1.00 0.00 C ATOM 241 CG GLU A 897 -8.914 -3.430 -9.343 1.00 0.00 C ATOM 242 CD GLU A 897 -9.359 -2.303 -10.255 1.00 0.00 C ATOM 243 OE1 GLU A 897 -8.735 -2.123 -11.322 1.00 0.00 O ATOM 244 OE2 GLU A 897 -10.330 -1.602 -9.903 1.00 0.00 O ATOM 0 H GLU A 897 -7.244 -1.509 -10.565 1.00 0.00 H new ATOM 0 HA GLU A 897 -6.895 -2.288 -8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 897 -7.225 -3.937 -10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 897 -7.225 -4.689 -8.970 1.00 0.00 H new ATOM 0 HG2 GLU A 897 -9.506 -4.320 -9.556 1.00 0.00 H new ATOM 0 HG3 GLU A 897 -9.113 -3.155 -8.307 1.00 0.00 H new ATOM 251 N GLU A 898 -4.457 -3.656 -9.815 1.00 0.00 N ATOM 252 CA GLU A 898 -3.119 -4.227 -9.720 1.00 0.00 C ATOM 253 C GLU A 898 -2.224 -3.370 -8.828 1.00 0.00 C ATOM 254 O GLU A 898 -1.548 -3.881 -7.936 1.00 0.00 O ATOM 255 CB GLU A 898 -2.496 -4.356 -11.112 1.00 0.00 C ATOM 256 CG GLU A 898 -2.851 -5.652 -11.820 1.00 0.00 C ATOM 257 CD GLU A 898 -2.023 -5.881 -13.070 1.00 0.00 C ATOM 258 OE1 GLU A 898 -1.860 -4.924 -13.856 1.00 0.00 O ATOM 259 OE2 GLU A 898 -1.539 -7.015 -13.262 1.00 0.00 O ATOM 0 H GLU A 898 -4.830 -3.609 -10.763 1.00 0.00 H new ATOM 0 HA GLU A 898 -3.205 -5.218 -9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 898 -2.821 -3.516 -11.726 1.00 0.00 H new ATOM 0 HB3 GLU A 898 -1.412 -4.285 -11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 898 -2.706 -6.487 -11.135 1.00 0.00 H new ATOM 0 HG3 GLU A 898 -3.908 -5.638 -12.086 1.00 0.00 H new ATOM 266 N ALA A 899 -2.226 -2.065 -9.077 1.00 0.00 N ATOM 267 CA ALA A 899 -1.417 -1.137 -8.297 1.00 0.00 C ATOM 268 C ALA A 899 -1.831 -1.149 -6.829 1.00 0.00 C ATOM 269 O ALA A 899 -0.983 -1.160 -5.936 1.00 0.00 O ATOM 270 CB ALA A 899 -1.528 0.269 -8.868 1.00 0.00 C ATOM 0 H ALA A 899 -2.779 -1.626 -9.813 1.00 0.00 H new ATOM 0 HA ALA A 899 -0.378 -1.460 -8.357 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -0.919 0.951 -8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -1.177 0.271 -9.900 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -2.568 0.593 -8.838 1.00 0.00 H new ATOM 276 N ILE A 900 -3.137 -1.145 -6.588 1.00 0.00 N ATOM 277 CA ILE A 900 -3.662 -1.156 -5.228 1.00 0.00 C ATOM 278 C ILE A 900 -3.092 -2.321 -4.427 1.00 0.00 C ATOM 279 O ILE A 900 -2.429 -2.122 -3.409 1.00 0.00 O ATOM 280 CB ILE A 900 -5.200 -1.245 -5.218 1.00 0.00 C ATOM 281 CG1 ILE A 900 -5.807 -0.021 -5.906 1.00 0.00 C ATOM 282 CG2 ILE A 900 -5.714 -1.368 -3.792 1.00 0.00 C ATOM 283 CD1 ILE A 900 -7.295 -0.142 -6.153 1.00 0.00 C ATOM 0 H ILE A 900 -3.851 -1.134 -7.316 1.00 0.00 H new ATOM 0 HA ILE A 900 -3.357 -0.217 -4.766 1.00 0.00 H new ATOM 0 HB ILE A 900 -5.502 -2.135 -5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 900 -5.619 0.861 -5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 900 -5.301 0.139 -6.858 1.00 0.00 H new ATOM 0 HG21 ILE A 900 -6.802 -1.430 -3.802 1.00 0.00 H new ATOM 0 HG22 ILE A 900 -5.303 -2.268 -3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 900 -5.405 -0.495 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 900 -7.657 0.762 -6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 900 -7.489 -1.004 -6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 900 -7.812 -0.271 -5.202 1.00 0.00 H new ATOM 295 N GLN A 901 -3.352 -3.538 -4.896 1.00 0.00 N ATOM 296 CA GLN A 901 -2.863 -4.735 -4.224 1.00 0.00 C ATOM 297 C GLN A 901 -1.345 -4.700 -4.085 1.00 0.00 C ATOM 298 O GLN A 901 -0.806 -4.907 -2.998 1.00 0.00 O ATOM 299 CB GLN A 901 -3.288 -5.987 -4.993 1.00 0.00 C ATOM 300 CG GLN A 901 -4.780 -6.268 -4.923 1.00 0.00 C ATOM 301 CD GLN A 901 -5.189 -6.926 -3.620 1.00 0.00 C ATOM 302 OE1 GLN A 901 -5.190 -6.292 -2.564 1.00 0.00 O ATOM 303 NE2 GLN A 901 -5.541 -8.205 -3.688 1.00 0.00 N ATOM 0 H GLN A 901 -3.898 -3.720 -5.738 1.00 0.00 H new ATOM 0 HA GLN A 901 -3.300 -4.765 -3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 901 -2.996 -5.878 -6.038 1.00 0.00 H new ATOM 0 HB3 GLN A 901 -2.746 -6.847 -4.599 1.00 0.00 H new ATOM 0 HG2 GLN A 901 -5.328 -5.333 -5.041 1.00 0.00 H new ATOM 0 HG3 GLN A 901 -5.064 -6.912 -5.756 1.00 0.00 H new ATOM 0 HE21 GLN A 901 -5.525 -8.691 -4.584 1.00 0.00 H new ATOM 0 HE22 GLN A 901 -5.827 -8.701 -2.844 1.00 0.00 H new ATOM 312 N ASN A 902 -0.660 -4.438 -5.193 1.00 0.00 N ATOM 313 CA ASN A 902 0.797 -4.377 -5.195 1.00 0.00 C ATOM 314 C ASN A 902 1.302 -3.401 -4.136 1.00 0.00 C ATOM 315 O ASN A 902 2.266 -3.685 -3.424 1.00 0.00 O ATOM 316 CB ASN A 902 1.309 -3.958 -6.575 1.00 0.00 C ATOM 317 CG ASN A 902 1.413 -5.130 -7.532 1.00 0.00 C ATOM 318 OD1 ASN A 902 2.501 -5.473 -7.995 1.00 0.00 O ATOM 319 ND2 ASN A 902 0.278 -5.749 -7.834 1.00 0.00 N ATOM 0 H ASN A 902 -1.090 -4.264 -6.101 1.00 0.00 H new ATOM 0 HA ASN A 902 1.178 -5.371 -4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.640 -3.207 -6.995 1.00 0.00 H new ATOM 0 HB3 ASN A 902 2.288 -3.490 -6.470 1.00 0.00 H new ATOM 0 HD21 ASN A 902 0.285 -6.543 -8.474 1.00 0.00 H new ATOM 0 HD22 ASN A 902 -0.601 -5.430 -7.426 1.00 0.00 H new ATOM 326 N PHE A 903 0.644 -2.251 -4.037 1.00 0.00 N ATOM 327 CA PHE A 903 1.026 -1.233 -3.065 1.00 0.00 C ATOM 328 C PHE A 903 0.959 -1.786 -1.644 1.00 0.00 C ATOM 329 O PHE A 903 1.894 -1.626 -0.859 1.00 0.00 O ATOM 330 CB PHE A 903 0.115 -0.010 -3.192 1.00 0.00 C ATOM 331 CG PHE A 903 0.690 1.232 -2.572 1.00 0.00 C ATOM 332 CD1 PHE A 903 1.723 1.917 -3.190 1.00 0.00 C ATOM 333 CD2 PHE A 903 0.197 1.713 -1.370 1.00 0.00 C ATOM 334 CE1 PHE A 903 2.254 3.060 -2.623 1.00 0.00 C ATOM 335 CE2 PHE A 903 0.723 2.856 -0.798 1.00 0.00 C ATOM 336 CZ PHE A 903 1.753 3.529 -1.424 1.00 0.00 C ATOM 0 H PHE A 903 -0.156 -2.000 -4.618 1.00 0.00 H new ATOM 0 HA PHE A 903 2.054 -0.935 -3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 903 -0.082 0.178 -4.247 1.00 0.00 H new ATOM 0 HB3 PHE A 903 -0.844 -0.231 -2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 903 2.119 1.553 -4.127 1.00 0.00 H new ATOM 0 HD2 PHE A 903 -0.607 1.189 -0.875 1.00 0.00 H new ATOM 0 HE1 PHE A 903 3.059 3.585 -3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 903 0.328 3.222 0.138 1.00 0.00 H new ATOM 0 HZ PHE A 903 2.167 4.421 -0.977 1.00 0.00 H new ATOM 346 N LYS A 904 -0.154 -2.435 -1.320 1.00 0.00 N ATOM 347 CA LYS A 904 -0.345 -3.013 0.005 1.00 0.00 C ATOM 348 C LYS A 904 0.814 -3.935 0.369 1.00 0.00 C ATOM 349 O LYS A 904 1.470 -3.750 1.394 1.00 0.00 O ATOM 350 CB LYS A 904 -1.664 -3.787 0.062 1.00 0.00 C ATOM 351 CG LYS A 904 -2.880 -2.902 0.277 1.00 0.00 C ATOM 352 CD LYS A 904 -4.123 -3.499 -0.359 1.00 0.00 C ATOM 353 CE LYS A 904 -5.297 -2.533 -0.304 1.00 0.00 C ATOM 354 NZ LYS A 904 -6.551 -3.153 -0.813 1.00 0.00 N ATOM 0 H LYS A 904 -0.938 -2.574 -1.957 1.00 0.00 H new ATOM 0 HA LYS A 904 -0.378 -2.198 0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 904 -1.790 -4.343 -0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 904 -1.611 -4.520 0.867 1.00 0.00 H new ATOM 0 HG2 LYS A 904 -3.047 -2.765 1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 904 -2.692 -1.915 -0.146 1.00 0.00 H new ATOM 0 HD2 LYS A 904 -3.913 -3.759 -1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 904 -4.387 -4.424 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 904 -5.447 -2.202 0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 904 -5.065 -1.646 -0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 904 -7.327 -2.462 -0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 904 -6.417 -3.446 -1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 904 -6.787 -3.985 -0.235 1.00 0.00 H new ATOM 368 N ALA A 905 1.062 -4.929 -0.478 1.00 0.00 N ATOM 369 CA ALA A 905 2.144 -5.878 -0.247 1.00 0.00 C ATOM 370 C ALA A 905 3.487 -5.163 -0.141 1.00 0.00 C ATOM 371 O ALA A 905 4.320 -5.508 0.698 1.00 0.00 O ATOM 372 CB ALA A 905 2.182 -6.915 -1.359 1.00 0.00 C ATOM 0 H ALA A 905 0.528 -5.098 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 905 1.955 -6.384 0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 905 2.995 -7.617 -1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 905 1.235 -7.454 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 905 2.343 -6.417 -2.315 1.00 0.00 H new ATOM 378 N LEU A 906 3.692 -4.168 -0.997 1.00 0.00 N ATOM 379 CA LEU A 906 4.935 -3.405 -0.999 1.00 0.00 C ATOM 380 C LEU A 906 5.094 -2.617 0.297 1.00 0.00 C ATOM 381 O LEU A 906 6.209 -2.402 0.773 1.00 0.00 O ATOM 382 CB LEU A 906 4.969 -2.452 -2.196 1.00 0.00 C ATOM 383 CG LEU A 906 6.057 -1.379 -2.168 1.00 0.00 C ATOM 384 CD1 LEU A 906 7.402 -1.971 -2.559 1.00 0.00 C ATOM 385 CD2 LEU A 906 5.692 -0.225 -3.091 1.00 0.00 C ATOM 0 H LEU A 906 3.014 -3.871 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 906 5.764 -4.109 -1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 906 5.094 -3.044 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 906 4.000 -1.957 -2.269 1.00 0.00 H new ATOM 0 HG LEU A 906 6.134 -0.995 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 906 8.164 -1.192 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 906 7.669 -2.762 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 906 7.339 -2.384 -3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 906 6.478 0.530 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 906 5.586 -0.594 -4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 906 4.751 0.217 -2.766 1.00 0.00 H new ATOM 397 N LEU A 907 3.971 -2.191 0.865 1.00 0.00 N ATOM 398 CA LEU A 907 3.984 -1.429 2.109 1.00 0.00 C ATOM 399 C LEU A 907 4.392 -2.312 3.285 1.00 0.00 C ATOM 400 O LEU A 907 5.237 -1.932 4.095 1.00 0.00 O ATOM 401 CB LEU A 907 2.607 -0.817 2.370 1.00 0.00 C ATOM 402 CG LEU A 907 2.233 0.387 1.505 1.00 0.00 C ATOM 403 CD1 LEU A 907 0.810 0.834 1.799 1.00 0.00 C ATOM 404 CD2 LEU A 907 3.211 1.531 1.732 1.00 0.00 C ATOM 0 H LEU A 907 3.040 -2.360 0.484 1.00 0.00 H new ATOM 0 HA LEU A 907 4.717 -0.629 2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 907 1.854 -1.591 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 907 2.557 -0.517 3.417 1.00 0.00 H new ATOM 0 HG LEU A 907 2.289 0.089 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 907 0.562 1.692 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 907 0.121 0.017 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 907 0.726 1.114 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 907 2.930 2.379 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 907 3.187 1.828 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 907 4.218 1.206 1.470 1.00 0.00 H new ATOM 416 N SER A 908 3.787 -3.493 3.369 1.00 0.00 N ATOM 417 CA SER A 908 4.086 -4.429 4.446 1.00 0.00 C ATOM 418 C SER A 908 5.538 -4.891 4.377 1.00 0.00 C ATOM 419 O SER A 908 6.173 -5.137 5.403 1.00 0.00 O ATOM 420 CB SER A 908 3.151 -5.638 4.373 1.00 0.00 C ATOM 421 OG SER A 908 1.809 -5.261 4.632 1.00 0.00 O ATOM 0 H SER A 908 3.087 -3.824 2.704 1.00 0.00 H new ATOM 0 HA SER A 908 3.931 -3.915 5.394 1.00 0.00 H new ATOM 0 HB2 SER A 908 3.220 -6.096 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 908 3.467 -6.390 5.096 1.00 0.00 H new ATOM 0 HG SER A 908 1.231 -6.051 4.578 1.00 0.00 H new ATOM 427 N ASP A 909 6.058 -5.008 3.160 1.00 0.00 N ATOM 428 CA ASP A 909 7.436 -5.439 2.955 1.00 0.00 C ATOM 429 C ASP A 909 8.408 -4.288 3.199 1.00 0.00 C ATOM 430 O ASP A 909 9.201 -4.322 4.138 1.00 0.00 O ATOM 431 CB ASP A 909 7.617 -5.984 1.537 1.00 0.00 C ATOM 432 CG ASP A 909 7.296 -7.462 1.440 1.00 0.00 C ATOM 433 OD1 ASP A 909 7.684 -8.215 2.358 1.00 0.00 O ATOM 434 OD2 ASP A 909 6.658 -7.867 0.445 1.00 0.00 O ATOM 0 H ASP A 909 5.546 -4.810 2.300 1.00 0.00 H new ATOM 0 HA ASP A 909 7.653 -6.232 3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 909 6.974 -5.430 0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 909 8.645 -5.816 1.215 1.00 0.00 H new ATOM 439 N MET A 910 8.339 -3.272 2.345 1.00 0.00 N ATOM 440 CA MET A 910 9.213 -2.111 2.469 1.00 0.00 C ATOM 441 C MET A 910 9.000 -1.410 3.807 1.00 0.00 C ATOM 442 O MET A 910 9.948 -0.917 4.419 1.00 0.00 O ATOM 443 CB MET A 910 8.960 -1.131 1.321 1.00 0.00 C ATOM 444 CG MET A 910 9.596 -1.557 0.008 1.00 0.00 C ATOM 445 SD MET A 910 11.381 -1.776 0.139 1.00 0.00 S ATOM 446 CE MET A 910 11.961 -0.191 -0.462 1.00 0.00 C ATOM 0 H MET A 910 7.688 -3.229 1.561 1.00 0.00 H new ATOM 0 HA MET A 910 10.245 -2.458 2.421 1.00 0.00 H new ATOM 0 HB2 MET A 910 7.885 -1.023 1.176 1.00 0.00 H new ATOM 0 HB3 MET A 910 9.344 -0.150 1.600 1.00 0.00 H new ATOM 0 HG2 MET A 910 9.143 -2.491 -0.324 1.00 0.00 H new ATOM 0 HG3 MET A 910 9.381 -0.809 -0.755 1.00 0.00 H new ATOM 0 HE1 MET A 910 12.321 -0.299 -1.485 1.00 0.00 H new ATOM 0 HE2 MET A 910 11.142 0.528 -0.440 1.00 0.00 H new ATOM 0 HE3 MET A 910 12.773 0.164 0.173 1.00 0.00 H new ATOM 456 N VAL A 911 7.750 -1.369 4.256 1.00 0.00 N ATOM 457 CA VAL A 911 7.413 -0.729 5.522 1.00 0.00 C ATOM 458 C VAL A 911 6.717 -1.705 6.463 1.00 0.00 C ATOM 459 O VAL A 911 5.496 -1.671 6.618 1.00 0.00 O ATOM 460 CB VAL A 911 6.504 0.496 5.307 1.00 0.00 C ATOM 461 CG1 VAL A 911 6.364 1.290 6.597 1.00 0.00 C ATOM 462 CG2 VAL A 911 7.047 1.373 4.189 1.00 0.00 C ATOM 0 H VAL A 911 6.954 -1.771 3.762 1.00 0.00 H new ATOM 0 HA VAL A 911 8.351 -0.402 5.971 1.00 0.00 H new ATOM 0 HB VAL A 911 5.514 0.145 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 911 5.719 2.151 6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 911 5.927 0.656 7.369 1.00 0.00 H new ATOM 0 HG13 VAL A 911 7.347 1.632 6.922 1.00 0.00 H new ATOM 0 HG21 VAL A 911 6.392 2.233 4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 911 8.048 1.717 4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 911 7.090 0.798 3.264 1.00 0.00 H new ATOM 472 N ARG A 912 7.502 -2.575 7.090 1.00 0.00 N ATOM 473 CA ARG A 912 6.961 -3.562 8.017 1.00 0.00 C ATOM 474 C ARG A 912 6.908 -3.004 9.436 1.00 0.00 C ATOM 475 O ARG A 912 6.188 -3.521 10.290 1.00 0.00 O ATOM 476 CB ARG A 912 7.808 -4.836 7.990 1.00 0.00 C ATOM 477 CG ARG A 912 9.222 -4.639 8.513 1.00 0.00 C ATOM 478 CD ARG A 912 10.076 -5.877 8.292 1.00 0.00 C ATOM 479 NE ARG A 912 9.990 -6.809 9.413 1.00 0.00 N ATOM 480 CZ ARG A 912 10.774 -7.873 9.545 1.00 0.00 C ATOM 481 NH1 ARG A 912 11.697 -8.139 8.632 1.00 0.00 N ATOM 482 NH2 ARG A 912 10.635 -8.675 10.594 1.00 0.00 N ATOM 0 H ARG A 912 8.514 -2.617 6.973 1.00 0.00 H new ATOM 0 HA ARG A 912 5.946 -3.802 7.701 1.00 0.00 H new ATOM 0 HB2 ARG A 912 7.313 -5.604 8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 912 7.857 -5.208 6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 912 9.680 -3.786 8.013 1.00 0.00 H new ATOM 0 HG3 ARG A 912 9.188 -4.404 9.577 1.00 0.00 H new ATOM 0 HD2 ARG A 912 9.757 -6.379 7.378 1.00 0.00 H new ATOM 0 HD3 ARG A 912 11.115 -5.580 8.147 1.00 0.00 H new ATOM 0 HE ARG A 912 9.290 -6.633 10.134 1.00 0.00 H new ATOM 0 HH11 ARG A 912 11.807 -7.526 7.824 1.00 0.00 H new ATOM 0 HH12 ARG A 912 12.297 -8.957 8.737 1.00 0.00 H new ATOM 0 HH21 ARG A 912 9.926 -8.474 11.299 1.00 0.00 H new ATOM 0 HH22 ARG A 912 11.237 -9.492 10.695 1.00 0.00 H new ATOM 496 N SER A 913 7.675 -1.947 9.680 1.00 0.00 N ATOM 497 CA SER A 913 7.719 -1.321 10.996 1.00 0.00 C ATOM 498 C SER A 913 6.446 -0.521 11.260 1.00 0.00 C ATOM 499 O SER A 913 5.726 -0.156 10.331 1.00 0.00 O ATOM 500 CB SER A 913 8.941 -0.409 11.110 1.00 0.00 C ATOM 501 OG SER A 913 8.886 0.372 12.292 1.00 0.00 O ATOM 0 H SER A 913 8.275 -1.506 8.983 1.00 0.00 H new ATOM 0 HA SER A 913 7.793 -2.110 11.744 1.00 0.00 H new ATOM 0 HB2 SER A 913 9.849 -1.011 11.110 1.00 0.00 H new ATOM 0 HB3 SER A 913 8.993 0.246 10.240 1.00 0.00 H new ATOM 0 HG SER A 913 9.679 0.945 12.342 1.00 0.00 H new ATOM 507 N SER A 914 6.177 -0.253 12.533 1.00 0.00 N ATOM 508 CA SER A 914 4.990 0.500 12.921 1.00 0.00 C ATOM 509 C SER A 914 5.373 1.862 13.492 1.00 0.00 C ATOM 510 O SER A 914 4.511 2.697 13.766 1.00 0.00 O ATOM 511 CB SER A 914 4.175 -0.286 13.950 1.00 0.00 C ATOM 512 OG SER A 914 4.890 -0.429 15.166 1.00 0.00 O ATOM 0 H SER A 914 6.765 -0.546 13.314 1.00 0.00 H new ATOM 0 HA SER A 914 4.382 0.657 12.030 1.00 0.00 H new ATOM 0 HB2 SER A 914 3.231 0.225 14.138 1.00 0.00 H new ATOM 0 HB3 SER A 914 3.931 -1.270 13.550 1.00 0.00 H new ATOM 0 HG SER A 914 4.347 -0.933 15.807 1.00 0.00 H new ATOM 518 N ASP A 915 6.672 2.078 13.668 1.00 0.00 N ATOM 519 CA ASP A 915 7.172 3.339 14.205 1.00 0.00 C ATOM 520 C ASP A 915 7.743 4.214 13.094 1.00 0.00 C ATOM 521 O ASP A 915 8.831 4.774 13.228 1.00 0.00 O ATOM 522 CB ASP A 915 8.241 3.077 15.267 1.00 0.00 C ATOM 523 CG ASP A 915 7.844 1.976 16.230 1.00 0.00 C ATOM 524 OD1 ASP A 915 6.715 2.030 16.761 1.00 0.00 O ATOM 525 OD2 ASP A 915 8.662 1.059 16.451 1.00 0.00 O ATOM 0 H ASP A 915 7.398 1.397 13.447 1.00 0.00 H new ATOM 0 HA ASP A 915 6.337 3.867 14.665 1.00 0.00 H new ATOM 0 HB2 ASP A 915 9.177 2.807 14.777 1.00 0.00 H new ATOM 0 HB3 ASP A 915 8.426 3.995 15.825 1.00 0.00 H new ATOM 530 N VAL A 916 7.002 4.327 11.997 1.00 0.00 N ATOM 531 CA VAL A 916 7.434 5.135 10.862 1.00 0.00 C ATOM 532 C VAL A 916 6.329 6.081 10.408 1.00 0.00 C ATOM 533 O VAL A 916 5.152 5.722 10.405 1.00 0.00 O ATOM 534 CB VAL A 916 7.859 4.251 9.674 1.00 0.00 C ATOM 535 CG1 VAL A 916 9.181 3.559 9.968 1.00 0.00 C ATOM 536 CG2 VAL A 916 6.774 3.233 9.353 1.00 0.00 C ATOM 0 H VAL A 916 6.099 3.869 11.870 1.00 0.00 H new ATOM 0 HA VAL A 916 8.292 5.718 11.197 1.00 0.00 H new ATOM 0 HB VAL A 916 7.997 4.888 8.801 1.00 0.00 H new ATOM 0 HG11 VAL A 916 9.464 2.939 9.117 1.00 0.00 H new ATOM 0 HG12 VAL A 916 9.953 4.308 10.144 1.00 0.00 H new ATOM 0 HG13 VAL A 916 9.075 2.933 10.854 1.00 0.00 H new ATOM 0 HG21 VAL A 916 7.091 2.617 8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 916 6.602 2.599 10.222 1.00 0.00 H new ATOM 0 HG23 VAL A 916 5.852 3.753 9.095 1.00 0.00 H new ATOM 546 N SER A 917 6.716 7.293 10.024 1.00 0.00 N ATOM 547 CA SER A 917 5.758 8.294 9.570 1.00 0.00 C ATOM 548 C SER A 917 5.618 8.264 8.051 1.00 0.00 C ATOM 549 O SER A 917 6.409 7.625 7.357 1.00 0.00 O ATOM 550 CB SER A 917 6.191 9.689 10.026 1.00 0.00 C ATOM 551 OG SER A 917 6.300 9.753 11.437 1.00 0.00 O ATOM 0 H SER A 917 7.687 7.606 10.018 1.00 0.00 H new ATOM 0 HA SER A 917 4.789 8.059 10.011 1.00 0.00 H new ATOM 0 HB2 SER A 917 7.149 9.942 9.572 1.00 0.00 H new ATOM 0 HB3 SER A 917 5.469 10.429 9.680 1.00 0.00 H new ATOM 0 HG SER A 917 6.580 10.654 11.703 1.00 0.00 H new ATOM 557 N TRP A 918 4.606 8.957 7.543 1.00 0.00 N ATOM 558 CA TRP A 918 4.361 9.010 6.106 1.00 0.00 C ATOM 559 C TRP A 918 5.621 9.427 5.354 1.00 0.00 C ATOM 560 O TRP A 918 6.222 8.625 4.640 1.00 0.00 O ATOM 561 CB TRP A 918 3.223 9.984 5.797 1.00 0.00 C ATOM 562 CG TRP A 918 3.127 10.345 4.346 1.00 0.00 C ATOM 563 CD1 TRP A 918 3.125 11.602 3.812 1.00 0.00 C ATOM 564 CD2 TRP A 918 3.017 9.439 3.243 1.00 0.00 C ATOM 565 NE1 TRP A 918 3.021 11.532 2.444 1.00 0.00 N ATOM 566 CE2 TRP A 918 2.954 10.216 2.070 1.00 0.00 C ATOM 567 CE3 TRP A 918 2.968 8.046 3.132 1.00 0.00 C ATOM 568 CZ2 TRP A 918 2.843 9.646 0.804 1.00 0.00 C ATOM 569 CZ3 TRP A 918 2.858 7.482 1.875 1.00 0.00 C ATOM 570 CH2 TRP A 918 2.797 8.280 0.725 1.00 0.00 C ATOM 0 H TRP A 918 3.942 9.490 8.104 1.00 0.00 H new ATOM 0 HA TRP A 918 4.076 8.012 5.775 1.00 0.00 H new ATOM 0 HB2 TRP A 918 2.279 9.542 6.117 1.00 0.00 H new ATOM 0 HB3 TRP A 918 3.364 10.893 6.382 1.00 0.00 H new ATOM 0 HD1 TRP A 918 3.195 12.517 4.382 1.00 0.00 H new ATOM 0 HE1 TRP A 918 2.997 12.330 1.810 1.00 0.00 H new ATOM 0 HE3 TRP A 918 3.015 7.422 4.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 918 2.795 10.260 -0.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 918 2.818 6.407 1.778 1.00 0.00 H new ATOM 0 HH2 TRP A 918 2.712 7.808 -0.243 1.00 0.00 H new ATOM 581 N SER A 919 6.014 10.686 5.520 1.00 0.00 N ATOM 582 CA SER A 919 7.201 11.209 4.853 1.00 0.00 C ATOM 583 C SER A 919 8.276 10.133 4.734 1.00 0.00 C ATOM 584 O SER A 919 8.806 9.887 3.650 1.00 0.00 O ATOM 585 CB SER A 919 7.752 12.414 5.619 1.00 0.00 C ATOM 586 OG SER A 919 6.972 13.572 5.376 1.00 0.00 O ATOM 0 H SER A 919 5.529 11.362 6.110 1.00 0.00 H new ATOM 0 HA SER A 919 6.915 11.524 3.850 1.00 0.00 H new ATOM 0 HB2 SER A 919 7.763 12.196 6.687 1.00 0.00 H new ATOM 0 HB3 SER A 919 8.784 12.598 5.321 1.00 0.00 H new ATOM 0 HG SER A 919 7.343 14.328 5.878 1.00 0.00 H new ATOM 592 N ASP A 920 8.594 9.496 5.856 1.00 0.00 N ATOM 593 CA ASP A 920 9.605 8.446 5.878 1.00 0.00 C ATOM 594 C ASP A 920 9.337 7.410 4.791 1.00 0.00 C ATOM 595 O ASP A 920 10.152 7.215 3.889 1.00 0.00 O ATOM 596 CB ASP A 920 9.636 7.768 7.249 1.00 0.00 C ATOM 597 CG ASP A 920 9.870 8.754 8.377 1.00 0.00 C ATOM 598 OD1 ASP A 920 9.101 9.733 8.479 1.00 0.00 O ATOM 599 OD2 ASP A 920 10.822 8.547 9.158 1.00 0.00 O ATOM 0 H ASP A 920 8.166 9.689 6.762 1.00 0.00 H new ATOM 0 HA ASP A 920 10.575 8.905 5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 920 8.693 7.247 7.415 1.00 0.00 H new ATOM 0 HB3 ASP A 920 10.423 7.014 7.260 1.00 0.00 H new ATOM 604 N THR A 921 8.189 6.746 4.884 1.00 0.00 N ATOM 605 CA THR A 921 7.814 5.728 3.910 1.00 0.00 C ATOM 606 C THR A 921 7.781 6.303 2.499 1.00 0.00 C ATOM 607 O THR A 921 8.434 5.786 1.592 1.00 0.00 O ATOM 608 CB THR A 921 6.437 5.119 4.236 1.00 0.00 C ATOM 609 OG1 THR A 921 6.445 4.571 5.559 1.00 0.00 O ATOM 610 CG2 THR A 921 6.075 4.033 3.235 1.00 0.00 C ATOM 0 H THR A 921 7.503 6.895 5.624 1.00 0.00 H new ATOM 0 HA THR A 921 8.571 4.946 3.963 1.00 0.00 H new ATOM 0 HB THR A 921 5.690 5.911 4.175 1.00 0.00 H new ATOM 0 HG1 THR A 921 5.676 4.914 6.060 1.00 0.00 H new ATOM 0 HG21 THR A 921 5.099 3.618 3.486 1.00 0.00 H new ATOM 0 HG22 THR A 921 6.042 4.459 2.232 1.00 0.00 H new ATOM 0 HG23 THR A 921 6.825 3.243 3.269 1.00 0.00 H new ATOM 618 N ARG A 922 7.016 7.376 2.320 1.00 0.00 N ATOM 619 CA ARG A 922 6.898 8.021 1.017 1.00 0.00 C ATOM 620 C ARG A 922 8.244 8.048 0.300 1.00 0.00 C ATOM 621 O ARG A 922 8.372 7.552 -0.820 1.00 0.00 O ATOM 622 CB ARG A 922 6.364 9.445 1.177 1.00 0.00 C ATOM 623 CG ARG A 922 6.360 10.242 -0.117 1.00 0.00 C ATOM 624 CD ARG A 922 6.548 11.729 0.143 1.00 0.00 C ATOM 625 NE ARG A 922 7.954 12.079 0.327 1.00 0.00 N ATOM 626 CZ ARG A 922 8.393 13.329 0.423 1.00 0.00 C ATOM 627 NH1 ARG A 922 7.541 14.342 0.353 1.00 0.00 N ATOM 628 NH2 ARG A 922 9.688 13.567 0.589 1.00 0.00 N ATOM 0 H ARG A 922 6.469 7.816 3.060 1.00 0.00 H new ATOM 0 HA ARG A 922 6.197 7.443 0.415 1.00 0.00 H new ATOM 0 HB2 ARG A 922 5.348 9.401 1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 922 6.969 9.970 1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 922 7.156 9.882 -0.769 1.00 0.00 H new ATOM 0 HG3 ARG A 922 5.419 10.080 -0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 922 6.139 12.298 -0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 922 5.984 12.016 1.030 1.00 0.00 H new ATOM 0 HE ARG A 922 8.636 11.323 0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 922 6.545 14.163 0.225 1.00 0.00 H new ATOM 0 HH12 ARG A 922 7.881 15.301 0.427 1.00 0.00 H new ATOM 0 HH21 ARG A 922 10.347 12.790 0.643 1.00 0.00 H new ATOM 0 HH22 ARG A 922 10.025 14.527 0.663 1.00 0.00 H new ATOM 642 N ARG A 923 9.245 8.631 0.952 1.00 0.00 N ATOM 643 CA ARG A 923 10.581 8.724 0.376 1.00 0.00 C ATOM 644 C ARG A 923 11.160 7.336 0.119 1.00 0.00 C ATOM 645 O ARG A 923 11.846 7.112 -0.879 1.00 0.00 O ATOM 646 CB ARG A 923 11.507 9.511 1.305 1.00 0.00 C ATOM 647 CG ARG A 923 12.942 9.590 0.811 1.00 0.00 C ATOM 648 CD ARG A 923 13.898 9.960 1.934 1.00 0.00 C ATOM 649 NE ARG A 923 15.280 10.043 1.471 1.00 0.00 N ATOM 650 CZ ARG A 923 16.288 10.455 2.233 1.00 0.00 C ATOM 651 NH1 ARG A 923 16.067 10.817 3.489 1.00 0.00 N ATOM 652 NH2 ARG A 923 17.518 10.503 1.739 1.00 0.00 N ATOM 0 H ARG A 923 9.156 9.046 1.879 1.00 0.00 H new ATOM 0 HA ARG A 923 10.503 9.248 -0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 923 11.116 10.522 1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 923 11.496 9.048 2.292 1.00 0.00 H new ATOM 0 HG2 ARG A 923 13.234 8.631 0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 923 13.013 10.329 0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 923 13.601 10.917 2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 923 13.826 9.219 2.730 1.00 0.00 H new ATOM 0 HE ARG A 923 15.483 9.770 0.510 1.00 0.00 H new ATOM 0 HH11 ARG A 923 15.122 10.780 3.872 1.00 0.00 H new ATOM 0 HH12 ARG A 923 16.842 11.133 4.073 1.00 0.00 H new ATOM 0 HH21 ARG A 923 17.691 10.224 0.773 1.00 0.00 H new ATOM 0 HH22 ARG A 923 18.291 10.819 2.325 1.00 0.00 H new ATOM 666 N THR A 924 10.881 6.406 1.027 1.00 0.00 N ATOM 667 CA THR A 924 11.375 5.041 0.900 1.00 0.00 C ATOM 668 C THR A 924 10.949 4.423 -0.427 1.00 0.00 C ATOM 669 O THR A 924 11.785 3.955 -1.202 1.00 0.00 O ATOM 670 CB THR A 924 10.871 4.152 2.053 1.00 0.00 C ATOM 671 OG1 THR A 924 11.203 4.747 3.312 1.00 0.00 O ATOM 672 CG2 THR A 924 11.479 2.760 1.968 1.00 0.00 C ATOM 0 H THR A 924 10.315 6.574 1.859 1.00 0.00 H new ATOM 0 HA THR A 924 12.463 5.094 0.940 1.00 0.00 H new ATOM 0 HB THR A 924 9.788 4.064 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 924 10.656 5.549 3.449 1.00 0.00 H new ATOM 0 HG21 THR A 924 11.109 2.150 2.792 1.00 0.00 H new ATOM 0 HG22 THR A 924 11.200 2.298 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 924 12.565 2.833 2.030 1.00 0.00 H new ATOM 680 N LEU A 925 9.646 4.424 -0.683 1.00 0.00 N ATOM 681 CA LEU A 925 9.109 3.864 -1.919 1.00 0.00 C ATOM 682 C LEU A 925 9.620 4.633 -3.133 1.00 0.00 C ATOM 683 O LEU A 925 9.995 4.039 -4.144 1.00 0.00 O ATOM 684 CB LEU A 925 7.580 3.889 -1.891 1.00 0.00 C ATOM 685 CG LEU A 925 6.922 3.307 -0.640 1.00 0.00 C ATOM 686 CD1 LEU A 925 5.432 3.612 -0.629 1.00 0.00 C ATOM 687 CD2 LEU A 925 7.161 1.806 -0.561 1.00 0.00 C ATOM 0 H LEU A 925 8.942 4.806 -0.052 1.00 0.00 H new ATOM 0 HA LEU A 925 9.448 2.831 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 925 7.251 4.922 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 925 7.212 3.342 -2.759 1.00 0.00 H new ATOM 0 HG LEU A 925 7.374 3.774 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 925 4.981 3.190 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 925 5.282 4.692 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 925 4.964 3.174 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 925 6.686 1.409 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 925 6.736 1.323 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 925 8.232 1.610 -0.521 1.00 0.00 H new ATOM 699 N ARG A 926 9.633 5.958 -3.025 1.00 0.00 N ATOM 700 CA ARG A 926 10.099 6.808 -4.113 1.00 0.00 C ATOM 701 C ARG A 926 11.355 6.229 -4.757 1.00 0.00 C ATOM 702 O ARG A 926 11.570 6.366 -5.961 1.00 0.00 O ATOM 703 CB ARG A 926 10.382 8.221 -3.600 1.00 0.00 C ATOM 704 CG ARG A 926 9.169 9.137 -3.639 1.00 0.00 C ATOM 705 CD ARG A 926 9.522 10.548 -3.194 1.00 0.00 C ATOM 706 NE ARG A 926 10.203 11.300 -4.245 1.00 0.00 N ATOM 707 CZ ARG A 926 10.968 12.360 -4.012 1.00 0.00 C ATOM 708 NH1 ARG A 926 11.150 12.791 -2.772 1.00 0.00 N ATOM 709 NH2 ARG A 926 11.554 12.992 -5.022 1.00 0.00 N ATOM 0 H ARG A 926 9.326 6.465 -2.195 1.00 0.00 H new ATOM 0 HA ARG A 926 9.313 6.853 -4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 926 10.748 8.160 -2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 926 11.180 8.662 -4.197 1.00 0.00 H new ATOM 0 HG2 ARG A 926 8.764 9.164 -4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 926 8.388 8.736 -2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 926 8.613 11.074 -2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 926 10.159 10.501 -2.311 1.00 0.00 H new ATOM 0 HE ARG A 926 10.084 10.994 -5.211 1.00 0.00 H new ATOM 0 HH11 ARG A 926 10.702 12.308 -1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 926 11.738 13.606 -2.596 1.00 0.00 H new ATOM 0 HH21 ARG A 926 11.417 12.663 -5.978 1.00 0.00 H new ATOM 0 HH22 ARG A 926 12.141 13.806 -4.842 1.00 0.00 H new ATOM 723 N LYS A 927 12.184 5.580 -3.945 1.00 0.00 N ATOM 724 CA LYS A 927 13.419 4.979 -4.434 1.00 0.00 C ATOM 725 C LYS A 927 13.143 3.637 -5.104 1.00 0.00 C ATOM 726 O LYS A 927 13.676 3.345 -6.175 1.00 0.00 O ATOM 727 CB LYS A 927 14.409 4.791 -3.282 1.00 0.00 C ATOM 728 CG LYS A 927 15.005 6.093 -2.774 1.00 0.00 C ATOM 729 CD LYS A 927 16.259 6.471 -3.546 1.00 0.00 C ATOM 730 CE LYS A 927 15.924 6.967 -4.944 1.00 0.00 C ATOM 731 NZ LYS A 927 17.015 7.808 -5.510 1.00 0.00 N ATOM 0 H LYS A 927 12.022 5.457 -2.945 1.00 0.00 H new ATOM 0 HA LYS A 927 13.853 5.652 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 927 13.904 4.287 -2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 927 15.216 4.136 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 927 14.268 6.891 -2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 927 15.244 5.996 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 927 16.802 7.246 -3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 927 16.920 5.607 -3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 927 15.746 6.114 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 927 15.000 7.544 -4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 927 16.749 8.127 -6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 927 17.168 8.635 -4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 927 17.891 7.250 -5.564 1.00 0.00 H new ATOM 745 N ASP A 928 12.305 2.825 -4.468 1.00 0.00 N ATOM 746 CA ASP A 928 11.956 1.514 -5.005 1.00 0.00 C ATOM 747 C ASP A 928 11.470 1.629 -6.446 1.00 0.00 C ATOM 748 O ASP A 928 10.886 2.641 -6.837 1.00 0.00 O ATOM 749 CB ASP A 928 10.878 0.857 -4.141 1.00 0.00 C ATOM 750 CG ASP A 928 10.797 -0.641 -4.357 1.00 0.00 C ATOM 751 OD1 ASP A 928 10.989 -1.086 -5.508 1.00 0.00 O ATOM 752 OD2 ASP A 928 10.541 -1.370 -3.376 1.00 0.00 O ATOM 0 H ASP A 928 11.855 3.051 -3.581 1.00 0.00 H new ATOM 0 HA ASP A 928 12.851 0.892 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 928 11.086 1.059 -3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 928 9.911 1.307 -4.367 1.00 0.00 H new ATOM 757 N HIS A 929 11.716 0.587 -7.233 1.00 0.00 N ATOM 758 CA HIS A 929 11.304 0.571 -8.633 1.00 0.00 C ATOM 759 C HIS A 929 9.791 0.418 -8.752 1.00 0.00 C ATOM 760 O HIS A 929 9.156 1.062 -9.587 1.00 0.00 O ATOM 761 CB HIS A 929 12.004 -0.565 -9.379 1.00 0.00 C ATOM 762 CG HIS A 929 13.418 -0.250 -9.760 1.00 0.00 C ATOM 763 ND1 HIS A 929 14.005 0.975 -9.527 1.00 0.00 N ATOM 764 CD2 HIS A 929 14.364 -1.011 -10.360 1.00 0.00 C ATOM 765 CE1 HIS A 929 15.250 0.956 -9.969 1.00 0.00 C ATOM 766 NE2 HIS A 929 15.493 -0.238 -10.478 1.00 0.00 N ATOM 0 H HIS A 929 12.198 -0.258 -6.926 1.00 0.00 H new ATOM 0 HA HIS A 929 11.591 1.522 -9.082 1.00 0.00 H new ATOM 0 HB2 HIS A 929 11.995 -1.458 -8.755 1.00 0.00 H new ATOM 0 HB3 HIS A 929 11.437 -0.800 -10.280 1.00 0.00 H new ATOM 0 HD2 HIS A 929 14.252 -2.035 -10.685 1.00 0.00 H new ATOM 0 HE1 HIS A 929 15.950 1.777 -9.922 1.00 0.00 H new ATOM 0 HE2 HIS A 929 16.376 -0.538 -10.892 1.00 0.00 H new ATOM 774 N ARG A 930 9.220 -0.440 -7.912 1.00 0.00 N ATOM 775 CA ARG A 930 7.782 -0.679 -7.925 1.00 0.00 C ATOM 776 C ARG A 930 7.012 0.633 -7.803 1.00 0.00 C ATOM 777 O ARG A 930 6.088 0.895 -8.573 1.00 0.00 O ATOM 778 CB ARG A 930 7.390 -1.621 -6.786 1.00 0.00 C ATOM 779 CG ARG A 930 7.797 -3.066 -7.022 1.00 0.00 C ATOM 780 CD ARG A 930 9.250 -3.304 -6.642 1.00 0.00 C ATOM 781 NE ARG A 930 9.579 -4.727 -6.602 1.00 0.00 N ATOM 782 CZ ARG A 930 10.787 -5.194 -6.303 1.00 0.00 C ATOM 783 NH1 ARG A 930 11.774 -4.355 -6.020 1.00 0.00 N ATOM 784 NH2 ARG A 930 11.008 -6.502 -6.288 1.00 0.00 N ATOM 0 H ARG A 930 9.731 -0.981 -7.214 1.00 0.00 H new ATOM 0 HA ARG A 930 7.525 -1.144 -8.877 1.00 0.00 H new ATOM 0 HB2 ARG A 930 7.849 -1.270 -5.862 1.00 0.00 H new ATOM 0 HB3 ARG A 930 6.310 -1.575 -6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 930 7.154 -3.726 -6.439 1.00 0.00 H new ATOM 0 HG3 ARG A 930 7.648 -3.321 -8.071 1.00 0.00 H new ATOM 0 HD2 ARG A 930 9.899 -2.802 -7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 930 9.447 -2.859 -5.667 1.00 0.00 H new ATOM 0 HE ARG A 930 8.842 -5.399 -6.815 1.00 0.00 H new ATOM 0 HH11 ARG A 930 11.607 -3.349 -6.031 1.00 0.00 H new ATOM 0 HH12 ARG A 930 12.700 -4.716 -5.791 1.00 0.00 H new ATOM 0 HH21 ARG A 930 10.251 -7.150 -6.506 1.00 0.00 H new ATOM 0 HH22 ARG A 930 11.935 -6.860 -6.059 1.00 0.00 H new ATOM 798 N TRP A 931 7.398 1.451 -6.831 1.00 0.00 N ATOM 799 CA TRP A 931 6.744 2.735 -6.608 1.00 0.00 C ATOM 800 C TRP A 931 6.344 3.380 -7.931 1.00 0.00 C ATOM 801 O TRP A 931 5.288 4.003 -8.033 1.00 0.00 O ATOM 802 CB TRP A 931 7.667 3.673 -5.828 1.00 0.00 C ATOM 803 CG TRP A 931 7.252 5.111 -5.901 1.00 0.00 C ATOM 804 CD1 TRP A 931 7.647 6.032 -6.830 1.00 0.00 C ATOM 805 CD2 TRP A 931 6.364 5.794 -5.009 1.00 0.00 C ATOM 806 NE1 TRP A 931 7.058 7.245 -6.569 1.00 0.00 N ATOM 807 CE2 TRP A 931 6.266 7.125 -5.457 1.00 0.00 C ATOM 808 CE3 TRP A 931 5.642 5.409 -3.876 1.00 0.00 C ATOM 809 CZ2 TRP A 931 5.474 8.071 -4.811 1.00 0.00 C ATOM 810 CZ3 TRP A 931 4.857 6.349 -3.236 1.00 0.00 C ATOM 811 CH2 TRP A 931 4.778 7.667 -3.705 1.00 0.00 C ATOM 0 H TRP A 931 8.161 1.248 -6.185 1.00 0.00 H new ATOM 0 HA TRP A 931 5.841 2.557 -6.024 1.00 0.00 H new ATOM 0 HB2 TRP A 931 7.691 3.362 -4.784 1.00 0.00 H new ATOM 0 HB3 TRP A 931 8.682 3.575 -6.213 1.00 0.00 H new ATOM 0 HD1 TRP A 931 8.323 5.835 -7.649 1.00 0.00 H new ATOM 0 HE1 TRP A 931 7.189 8.097 -7.114 1.00 0.00 H new ATOM 0 HE3 TRP A 931 5.697 4.395 -3.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 931 5.412 9.087 -5.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 931 4.295 6.063 -2.359 1.00 0.00 H new ATOM 0 HH2 TRP A 931 4.155 8.378 -3.183 1.00 0.00 H new ATOM 822 N GLU A 932 7.195 3.225 -8.940 1.00 0.00 N ATOM 823 CA GLU A 932 6.929 3.794 -10.256 1.00 0.00 C ATOM 824 C GLU A 932 5.494 3.511 -10.691 1.00 0.00 C ATOM 825 O GLU A 932 4.704 4.432 -10.898 1.00 0.00 O ATOM 826 CB GLU A 932 7.907 3.228 -11.288 1.00 0.00 C ATOM 827 CG GLU A 932 9.320 3.769 -11.149 1.00 0.00 C ATOM 828 CD GLU A 932 10.190 3.446 -12.348 1.00 0.00 C ATOM 829 OE1 GLU A 932 10.379 2.246 -12.636 1.00 0.00 O ATOM 830 OE2 GLU A 932 10.681 4.392 -12.998 1.00 0.00 O ATOM 0 H GLU A 932 8.073 2.711 -8.872 1.00 0.00 H new ATOM 0 HA GLU A 932 7.065 4.874 -10.191 1.00 0.00 H new ATOM 0 HB2 GLU A 932 7.932 2.142 -11.195 1.00 0.00 H new ATOM 0 HB3 GLU A 932 7.537 3.454 -12.288 1.00 0.00 H new ATOM 0 HG2 GLU A 932 9.279 4.850 -11.015 1.00 0.00 H new ATOM 0 HG3 GLU A 932 9.777 3.354 -10.251 1.00 0.00 H new ATOM 837 N SER A 933 5.165 2.230 -10.829 1.00 0.00 N ATOM 838 CA SER A 933 3.827 1.825 -11.243 1.00 0.00 C ATOM 839 C SER A 933 2.773 2.370 -10.284 1.00 0.00 C ATOM 840 O SER A 933 1.694 2.788 -10.702 1.00 0.00 O ATOM 841 CB SER A 933 3.731 0.300 -11.310 1.00 0.00 C ATOM 842 OG SER A 933 4.791 -0.244 -12.077 1.00 0.00 O ATOM 0 H SER A 933 5.807 1.455 -10.660 1.00 0.00 H new ATOM 0 HA SER A 933 3.640 2.238 -12.234 1.00 0.00 H new ATOM 0 HB2 SER A 933 3.758 -0.114 -10.302 1.00 0.00 H new ATOM 0 HB3 SER A 933 2.776 0.011 -11.748 1.00 0.00 H new ATOM 0 HG SER A 933 4.708 -1.220 -12.103 1.00 0.00 H new ATOM 848 N GLY A 934 3.095 2.363 -8.994 1.00 0.00 N ATOM 849 CA GLY A 934 2.166 2.859 -7.995 1.00 0.00 C ATOM 850 C GLY A 934 1.706 4.274 -8.283 1.00 0.00 C ATOM 851 O GLY A 934 0.734 4.749 -7.696 1.00 0.00 O ATOM 0 H GLY A 934 3.982 2.023 -8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 934 1.299 2.200 -7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 934 2.641 2.827 -7.014 1.00 0.00 H new ATOM 855 N SER A 935 2.406 4.950 -9.188 1.00 0.00 N ATOM 856 CA SER A 935 2.067 6.321 -9.549 1.00 0.00 C ATOM 857 C SER A 935 0.560 6.479 -9.728 1.00 0.00 C ATOM 858 O SER A 935 -0.013 7.515 -9.386 1.00 0.00 O ATOM 859 CB SER A 935 2.790 6.727 -10.834 1.00 0.00 C ATOM 860 OG SER A 935 4.091 7.215 -10.555 1.00 0.00 O ATOM 0 H SER A 935 3.212 4.570 -9.685 1.00 0.00 H new ATOM 0 HA SER A 935 2.390 6.974 -8.738 1.00 0.00 H new ATOM 0 HB2 SER A 935 2.856 5.870 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 935 2.214 7.494 -11.352 1.00 0.00 H new ATOM 0 HG SER A 935 4.730 6.472 -10.571 1.00 0.00 H new ATOM 866 N LEU A 936 -0.076 5.446 -10.268 1.00 0.00 N ATOM 867 CA LEU A 936 -1.518 5.468 -10.494 1.00 0.00 C ATOM 868 C LEU A 936 -2.245 6.090 -9.306 1.00 0.00 C ATOM 869 O LEU A 936 -3.122 6.938 -9.476 1.00 0.00 O ATOM 870 CB LEU A 936 -2.037 4.050 -10.739 1.00 0.00 C ATOM 871 CG LEU A 936 -1.655 3.418 -12.078 1.00 0.00 C ATOM 872 CD1 LEU A 936 -1.848 1.910 -12.031 1.00 0.00 C ATOM 873 CD2 LEU A 936 -2.473 4.027 -13.208 1.00 0.00 C ATOM 0 H LEU A 936 0.383 4.582 -10.558 1.00 0.00 H new ATOM 0 HA LEU A 936 -1.714 6.077 -11.376 1.00 0.00 H new ATOM 0 HB2 LEU A 936 -1.671 3.407 -9.939 1.00 0.00 H new ATOM 0 HB3 LEU A 936 -3.124 4.064 -10.664 1.00 0.00 H new ATOM 0 HG LEU A 936 -0.601 3.623 -12.267 1.00 0.00 H new ATOM 0 HD11 LEU A 936 -1.571 1.478 -12.993 1.00 0.00 H new ATOM 0 HD12 LEU A 936 -1.219 1.487 -11.248 1.00 0.00 H new ATOM 0 HD13 LEU A 936 -2.893 1.683 -11.819 1.00 0.00 H new ATOM 0 HD21 LEU A 936 -2.188 3.565 -14.153 1.00 0.00 H new ATOM 0 HD22 LEU A 936 -3.533 3.853 -13.024 1.00 0.00 H new ATOM 0 HD23 LEU A 936 -2.284 5.099 -13.257 1.00 0.00 H new ATOM 885 N LEU A 937 -1.875 5.664 -8.103 1.00 0.00 N ATOM 886 CA LEU A 937 -2.491 6.181 -6.886 1.00 0.00 C ATOM 887 C LEU A 937 -2.070 7.625 -6.633 1.00 0.00 C ATOM 888 O LEU A 937 -1.097 8.107 -7.212 1.00 0.00 O ATOM 889 CB LEU A 937 -2.110 5.309 -5.688 1.00 0.00 C ATOM 890 CG LEU A 937 -2.186 3.798 -5.907 1.00 0.00 C ATOM 891 CD1 LEU A 937 -1.391 3.063 -4.838 1.00 0.00 C ATOM 892 CD2 LEU A 937 -3.635 3.332 -5.911 1.00 0.00 C ATOM 0 H LEU A 937 -1.152 4.962 -7.944 1.00 0.00 H new ATOM 0 HA LEU A 937 -3.573 6.155 -7.017 1.00 0.00 H new ATOM 0 HB2 LEU A 937 -1.093 5.562 -5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 937 -2.762 5.568 -4.853 1.00 0.00 H new ATOM 0 HG LEU A 937 -1.748 3.568 -6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 937 -1.457 1.989 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 937 -0.347 3.374 -4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 937 -1.799 3.299 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 937 -3.670 2.254 -6.068 1.00 0.00 H new ATOM 0 HD22 LEU A 937 -4.098 3.575 -4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 937 -4.176 3.833 -6.713 1.00 0.00 H new ATOM 904 N GLU A 938 -2.809 8.308 -5.764 1.00 0.00 N ATOM 905 CA GLU A 938 -2.510 9.696 -5.434 1.00 0.00 C ATOM 906 C GLU A 938 -1.989 9.816 -4.005 1.00 0.00 C ATOM 907 O GLU A 938 -2.275 8.972 -3.156 1.00 0.00 O ATOM 908 CB GLU A 938 -3.758 10.565 -5.608 1.00 0.00 C ATOM 909 CG GLU A 938 -4.904 10.174 -4.689 1.00 0.00 C ATOM 910 CD GLU A 938 -6.251 10.641 -5.206 1.00 0.00 C ATOM 911 OE1 GLU A 938 -6.381 10.830 -6.434 1.00 0.00 O ATOM 912 OE2 GLU A 938 -7.174 10.818 -4.384 1.00 0.00 O ATOM 0 H GLU A 938 -3.618 7.923 -5.277 1.00 0.00 H new ATOM 0 HA GLU A 938 -1.734 10.045 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -3.494 11.606 -5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -4.095 10.500 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -4.919 9.090 -4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -4.732 10.597 -3.699 1.00 0.00 H new ATOM 919 N ARG A 939 -1.222 10.870 -3.748 1.00 0.00 N ATOM 920 CA ARG A 939 -0.659 11.100 -2.423 1.00 0.00 C ATOM 921 C ARG A 939 -1.691 10.813 -1.336 1.00 0.00 C ATOM 922 O ARG A 939 -1.340 10.426 -0.221 1.00 0.00 O ATOM 923 CB ARG A 939 -0.161 12.542 -2.300 1.00 0.00 C ATOM 924 CG ARG A 939 -1.279 13.562 -2.159 1.00 0.00 C ATOM 925 CD ARG A 939 -1.761 14.050 -3.516 1.00 0.00 C ATOM 926 NE ARG A 939 -0.826 14.995 -4.122 1.00 0.00 N ATOM 927 CZ ARG A 939 -1.083 15.672 -5.236 1.00 0.00 C ATOM 928 NH1 ARG A 939 -2.240 15.508 -5.863 1.00 0.00 N ATOM 929 NH2 ARG A 939 -0.181 16.514 -5.725 1.00 0.00 N ATOM 0 H ARG A 939 -0.976 11.578 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 939 0.182 10.419 -2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 939 0.499 12.617 -1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 939 0.435 12.788 -3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 939 -2.112 13.118 -1.614 1.00 0.00 H new ATOM 0 HG3 ARG A 939 -0.928 14.409 -1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 939 -1.896 13.197 -4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 939 -2.736 14.525 -3.405 1.00 0.00 H new ATOM 0 HE ARG A 939 0.074 15.143 -3.665 1.00 0.00 H new ATOM 0 HH11 ARG A 939 -2.935 14.861 -5.490 1.00 0.00 H new ATOM 0 HH12 ARG A 939 -2.435 16.029 -6.718 1.00 0.00 H new ATOM 0 HH21 ARG A 939 0.710 16.642 -5.246 1.00 0.00 H new ATOM 0 HH22 ARG A 939 -0.379 17.033 -6.580 1.00 0.00 H new ATOM 943 N GLU A 940 -2.963 11.004 -1.669 1.00 0.00 N ATOM 944 CA GLU A 940 -4.045 10.767 -0.721 1.00 0.00 C ATOM 945 C GLU A 940 -4.279 9.271 -0.526 1.00 0.00 C ATOM 946 O GLU A 940 -4.359 8.788 0.602 1.00 0.00 O ATOM 947 CB GLU A 940 -5.333 11.437 -1.204 1.00 0.00 C ATOM 948 CG GLU A 940 -6.384 11.590 -0.117 1.00 0.00 C ATOM 949 CD GLU A 940 -7.688 12.158 -0.642 1.00 0.00 C ATOM 950 OE1 GLU A 940 -7.788 13.398 -0.761 1.00 0.00 O ATOM 951 OE2 GLU A 940 -8.607 11.365 -0.934 1.00 0.00 O ATOM 0 H GLU A 940 -3.270 11.322 -2.588 1.00 0.00 H new ATOM 0 HA GLU A 940 -3.756 11.200 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -5.092 12.421 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -5.752 10.852 -2.023 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -6.573 10.618 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -5.998 12.241 0.667 1.00 0.00 H new ATOM 958 N GLU A 941 -4.387 8.546 -1.635 1.00 0.00 N ATOM 959 CA GLU A 941 -4.613 7.106 -1.586 1.00 0.00 C ATOM 960 C GLU A 941 -3.422 6.389 -0.958 1.00 0.00 C ATOM 961 O GLU A 941 -3.583 5.397 -0.248 1.00 0.00 O ATOM 962 CB GLU A 941 -4.868 6.560 -2.992 1.00 0.00 C ATOM 963 CG GLU A 941 -5.478 5.168 -3.003 1.00 0.00 C ATOM 964 CD GLU A 941 -6.959 5.178 -2.677 1.00 0.00 C ATOM 965 OE1 GLU A 941 -7.737 5.749 -3.469 1.00 0.00 O ATOM 966 OE2 GLU A 941 -7.340 4.614 -1.630 1.00 0.00 O ATOM 0 H GLU A 941 -4.322 8.931 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 941 -5.492 6.923 -0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 941 -5.532 7.243 -3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 941 -3.927 6.539 -3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 941 -5.329 4.718 -3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 941 -4.955 4.540 -2.281 1.00 0.00 H new ATOM 973 N LYS A 942 -2.224 6.899 -1.226 1.00 0.00 N ATOM 974 CA LYS A 942 -1.004 6.310 -0.688 1.00 0.00 C ATOM 975 C LYS A 942 -0.918 6.518 0.821 1.00 0.00 C ATOM 976 O LYS A 942 -0.751 5.564 1.579 1.00 0.00 O ATOM 977 CB LYS A 942 0.224 6.920 -1.368 1.00 0.00 C ATOM 978 CG LYS A 942 0.384 6.504 -2.820 1.00 0.00 C ATOM 979 CD LYS A 942 1.277 7.470 -3.581 1.00 0.00 C ATOM 980 CE LYS A 942 1.074 7.351 -5.083 1.00 0.00 C ATOM 981 NZ LYS A 942 1.730 8.465 -5.822 1.00 0.00 N ATOM 0 H LYS A 942 -2.073 7.719 -1.813 1.00 0.00 H new ATOM 0 HA LYS A 942 -1.029 5.239 -0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 942 0.156 8.007 -1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 942 1.117 6.629 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 942 0.808 5.501 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -0.595 6.459 -3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 942 1.064 8.491 -3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 942 2.321 7.272 -3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 942 1.476 6.399 -5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 942 0.007 7.346 -5.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 1.568 8.347 -6.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 1.328 9.372 -5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 2.752 8.455 -5.630 1.00 0.00 H new ATOM 995 N GLU A 943 -1.035 7.772 1.249 1.00 0.00 N ATOM 996 CA GLU A 943 -0.972 8.103 2.667 1.00 0.00 C ATOM 997 C GLU A 943 -1.986 7.286 3.463 1.00 0.00 C ATOM 998 O GLU A 943 -1.689 6.797 4.553 1.00 0.00 O ATOM 999 CB GLU A 943 -1.227 9.597 2.877 1.00 0.00 C ATOM 1000 CG GLU A 943 -0.923 10.075 4.286 1.00 0.00 C ATOM 1001 CD GLU A 943 -2.115 9.951 5.215 1.00 0.00 C ATOM 1002 OE1 GLU A 943 -3.006 9.124 4.927 1.00 0.00 O ATOM 1003 OE2 GLU A 943 -2.158 10.679 6.228 1.00 0.00 O ATOM 0 H GLU A 943 -1.174 8.574 0.634 1.00 0.00 H new ATOM 0 HA GLU A 943 0.028 7.858 3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 943 -0.619 10.163 2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 943 -2.270 9.815 2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 943 -0.091 9.498 4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 943 -0.601 11.116 4.251 1.00 0.00 H new ATOM 1010 N LYS A 944 -3.186 7.143 2.910 1.00 0.00 N ATOM 1011 CA LYS A 944 -4.245 6.386 3.565 1.00 0.00 C ATOM 1012 C LYS A 944 -3.834 4.929 3.757 1.00 0.00 C ATOM 1013 O LYS A 944 -3.701 4.454 4.886 1.00 0.00 O ATOM 1014 CB LYS A 944 -5.535 6.459 2.745 1.00 0.00 C ATOM 1015 CG LYS A 944 -6.763 5.976 3.498 1.00 0.00 C ATOM 1016 CD LYS A 944 -7.239 7.005 4.508 1.00 0.00 C ATOM 1017 CE LYS A 944 -7.923 8.181 3.827 1.00 0.00 C ATOM 1018 NZ LYS A 944 -9.381 7.944 3.645 1.00 0.00 N ATOM 0 H LYS A 944 -3.449 7.542 2.009 1.00 0.00 H new ATOM 0 HA LYS A 944 -4.420 6.828 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 944 -5.696 7.489 2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 944 -5.415 5.862 1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 944 -7.564 5.762 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 944 -6.533 5.042 4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 944 -7.931 6.536 5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 944 -6.391 7.364 5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 944 -7.773 9.082 4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 944 -7.460 8.358 2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 944 -9.811 8.768 3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 944 -9.524 7.098 3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 944 -9.828 7.800 4.573 1.00 0.00 H new ATOM 1032 N LEU A 945 -3.634 4.225 2.648 1.00 0.00 N ATOM 1033 CA LEU A 945 -3.236 2.823 2.694 1.00 0.00 C ATOM 1034 C LEU A 945 -2.088 2.614 3.676 1.00 0.00 C ATOM 1035 O LEU A 945 -2.084 1.655 4.448 1.00 0.00 O ATOM 1036 CB LEU A 945 -2.824 2.343 1.301 1.00 0.00 C ATOM 1037 CG LEU A 945 -3.966 2.005 0.343 1.00 0.00 C ATOM 1038 CD1 LEU A 945 -3.475 2.011 -1.097 1.00 0.00 C ATOM 1039 CD2 LEU A 945 -4.576 0.656 0.694 1.00 0.00 C ATOM 0 H LEU A 945 -3.741 4.602 1.706 1.00 0.00 H new ATOM 0 HA LEU A 945 -4.092 2.240 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 945 -2.207 3.114 0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 945 -2.197 1.458 1.414 1.00 0.00 H new ATOM 0 HG LEU A 945 -4.738 2.768 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 945 -4.302 1.768 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 945 -3.087 2.999 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 945 -2.684 1.270 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 945 -5.387 0.432 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 945 -3.813 -0.119 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 945 -4.966 0.687 1.711 1.00 0.00 H new ATOM 1051 N PHE A 946 -1.116 3.519 3.643 1.00 0.00 N ATOM 1052 CA PHE A 946 0.038 3.435 4.531 1.00 0.00 C ATOM 1053 C PHE A 946 -0.401 3.414 5.993 1.00 0.00 C ATOM 1054 O PHE A 946 -0.030 2.518 6.750 1.00 0.00 O ATOM 1055 CB PHE A 946 0.982 4.614 4.288 1.00 0.00 C ATOM 1056 CG PHE A 946 1.920 4.877 5.432 1.00 0.00 C ATOM 1057 CD1 PHE A 946 3.034 4.076 5.629 1.00 0.00 C ATOM 1058 CD2 PHE A 946 1.688 5.923 6.310 1.00 0.00 C ATOM 1059 CE1 PHE A 946 3.899 4.315 6.680 1.00 0.00 C ATOM 1060 CE2 PHE A 946 2.550 6.167 7.362 1.00 0.00 C ATOM 1061 CZ PHE A 946 3.656 5.361 7.548 1.00 0.00 C ATOM 0 H PHE A 946 -1.104 4.319 3.011 1.00 0.00 H new ATOM 0 HA PHE A 946 0.565 2.506 4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 946 1.565 4.423 3.387 1.00 0.00 H new ATOM 0 HB3 PHE A 946 0.390 5.510 4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 946 3.228 3.256 4.954 1.00 0.00 H new ATOM 0 HD2 PHE A 946 0.823 6.555 6.171 1.00 0.00 H new ATOM 0 HE1 PHE A 946 4.764 3.684 6.822 1.00 0.00 H new ATOM 0 HE2 PHE A 946 2.359 6.987 8.038 1.00 0.00 H new ATOM 0 HZ PHE A 946 4.330 5.549 8.371 1.00 0.00 H new ATOM 1071 N ASN A 947 -1.194 4.407 6.381 1.00 0.00 N ATOM 1072 CA ASN A 947 -1.684 4.504 7.751 1.00 0.00 C ATOM 1073 C ASN A 947 -2.391 3.218 8.168 1.00 0.00 C ATOM 1074 O ASN A 947 -2.032 2.596 9.167 1.00 0.00 O ATOM 1075 CB ASN A 947 -2.637 5.693 7.892 1.00 0.00 C ATOM 1076 CG ASN A 947 -1.900 7.011 8.031 1.00 0.00 C ATOM 1077 OD1 ASN A 947 -0.710 7.039 8.345 1.00 0.00 O ATOM 1078 ND2 ASN A 947 -2.607 8.111 7.798 1.00 0.00 N ATOM 0 H ASN A 947 -1.511 5.156 5.766 1.00 0.00 H new ATOM 0 HA ASN A 947 -0.827 4.655 8.407 1.00 0.00 H new ATOM 0 HB2 ASN A 947 -3.291 5.736 7.021 1.00 0.00 H new ATOM 0 HB3 ASN A 947 -3.275 5.543 8.763 1.00 0.00 H new ATOM 0 HD21 ASN A 947 -2.166 9.027 7.877 1.00 0.00 H new ATOM 0 HD22 ASN A 947 -3.591 8.040 7.540 1.00 0.00 H new ATOM 1085 N GLU A 948 -3.399 2.826 7.394 1.00 0.00 N ATOM 1086 CA GLU A 948 -4.157 1.615 7.684 1.00 0.00 C ATOM 1087 C GLU A 948 -3.223 0.452 8.006 1.00 0.00 C ATOM 1088 O GLU A 948 -3.446 -0.292 8.961 1.00 0.00 O ATOM 1089 CB GLU A 948 -5.052 1.250 6.497 1.00 0.00 C ATOM 1090 CG GLU A 948 -6.407 1.937 6.523 1.00 0.00 C ATOM 1091 CD GLU A 948 -7.397 1.311 5.560 1.00 0.00 C ATOM 1092 OE1 GLU A 948 -7.804 0.155 5.796 1.00 0.00 O ATOM 1093 OE2 GLU A 948 -7.764 1.978 4.570 1.00 0.00 O ATOM 0 H GLU A 948 -3.709 3.329 6.563 1.00 0.00 H new ATOM 0 HA GLU A 948 -4.782 1.809 8.556 1.00 0.00 H new ATOM 0 HB2 GLU A 948 -4.539 1.512 5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 948 -5.202 0.170 6.484 1.00 0.00 H new ATOM 0 HG2 GLU A 948 -6.812 1.894 7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 948 -6.281 2.991 6.274 1.00 0.00 H new ATOM 1100 N HIS A 949 -2.175 0.302 7.202 1.00 0.00 N ATOM 1101 CA HIS A 949 -1.205 -0.769 7.401 1.00 0.00 C ATOM 1102 C HIS A 949 -0.588 -0.692 8.794 1.00 0.00 C ATOM 1103 O HIS A 949 -0.633 -1.656 9.558 1.00 0.00 O ATOM 1104 CB HIS A 949 -0.108 -0.696 6.339 1.00 0.00 C ATOM 1105 CG HIS A 949 1.074 -1.567 6.638 1.00 0.00 C ATOM 1106 ND1 HIS A 949 0.972 -2.925 6.857 1.00 0.00 N ATOM 1107 CD2 HIS A 949 2.389 -1.266 6.752 1.00 0.00 C ATOM 1108 CE1 HIS A 949 2.173 -3.421 7.094 1.00 0.00 C ATOM 1109 NE2 HIS A 949 3.050 -2.436 7.036 1.00 0.00 N ATOM 0 H HIS A 949 -1.976 0.909 6.407 1.00 0.00 H new ATOM 0 HA HIS A 949 -1.728 -1.721 7.307 1.00 0.00 H new ATOM 0 HB2 HIS A 949 -0.527 -0.985 5.375 1.00 0.00 H new ATOM 0 HB3 HIS A 949 0.227 0.337 6.245 1.00 0.00 H new ATOM 0 HD2 HIS A 949 2.835 -0.289 6.640 1.00 0.00 H new ATOM 0 HE1 HIS A 949 2.399 -4.457 7.300 1.00 0.00 H new ATOM 0 HE2 HIS A 949 4.056 -2.529 7.179 1.00 0.00 H new ATOM 1117 N ILE A 950 -0.011 0.461 9.117 1.00 0.00 N ATOM 1118 CA ILE A 950 0.615 0.664 10.417 1.00 0.00 C ATOM 1119 C ILE A 950 -0.354 0.340 11.550 1.00 0.00 C ATOM 1120 O ILE A 950 -0.123 -0.581 12.333 1.00 0.00 O ATOM 1121 CB ILE A 950 1.114 2.111 10.582 1.00 0.00 C ATOM 1122 CG1 ILE A 950 2.096 2.465 9.464 1.00 0.00 C ATOM 1123 CG2 ILE A 950 1.767 2.294 11.944 1.00 0.00 C ATOM 1124 CD1 ILE A 950 3.284 1.532 9.384 1.00 0.00 C ATOM 0 H ILE A 950 0.036 1.269 8.496 1.00 0.00 H new ATOM 0 HA ILE A 950 1.468 -0.013 10.466 1.00 0.00 H new ATOM 0 HB ILE A 950 0.259 2.784 10.517 1.00 0.00 H new ATOM 0 HG12 ILE A 950 1.568 2.451 8.510 1.00 0.00 H new ATOM 0 HG13 ILE A 950 2.454 3.483 9.615 1.00 0.00 H new ATOM 0 HG21 ILE A 950 2.115 3.322 12.046 1.00 0.00 H new ATOM 0 HG22 ILE A 950 1.041 2.077 12.728 1.00 0.00 H new ATOM 0 HG23 ILE A 950 2.614 1.614 12.036 1.00 0.00 H new ATOM 0 HD11 ILE A 950 3.937 1.844 8.569 1.00 0.00 H new ATOM 0 HD12 ILE A 950 3.836 1.564 10.324 1.00 0.00 H new ATOM 0 HD13 ILE A 950 2.936 0.515 9.202 1.00 0.00 H new ATOM 1136 N GLU A 951 -1.440 1.103 11.629 1.00 0.00 N ATOM 1137 CA GLU A 951 -2.444 0.896 12.665 1.00 0.00 C ATOM 1138 C GLU A 951 -2.835 -0.576 12.758 1.00 0.00 C ATOM 1139 O GLU A 951 -3.184 -1.071 13.830 1.00 0.00 O ATOM 1140 CB GLU A 951 -3.684 1.747 12.383 1.00 0.00 C ATOM 1141 CG GLU A 951 -4.379 1.397 11.078 1.00 0.00 C ATOM 1142 CD GLU A 951 -5.693 2.132 10.901 1.00 0.00 C ATOM 1143 OE1 GLU A 951 -5.672 3.378 10.830 1.00 0.00 O ATOM 1144 OE2 GLU A 951 -6.744 1.459 10.834 1.00 0.00 O ATOM 0 H GLU A 951 -1.646 1.869 10.988 1.00 0.00 H new ATOM 0 HA GLU A 951 -2.012 1.201 13.618 1.00 0.00 H new ATOM 0 HB2 GLU A 951 -4.391 1.628 13.204 1.00 0.00 H new ATOM 0 HB3 GLU A 951 -3.396 2.798 12.361 1.00 0.00 H new ATOM 0 HG2 GLU A 951 -3.719 1.635 10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 951 -4.561 0.323 11.044 1.00 0.00 H new ATOM 1151 N ALA A 952 -2.775 -1.271 11.626 1.00 0.00 N ATOM 1152 CA ALA A 952 -3.121 -2.686 11.579 1.00 0.00 C ATOM 1153 C ALA A 952 -2.085 -3.529 12.314 1.00 0.00 C ATOM 1154 O ALA A 952 -2.426 -4.502 12.989 1.00 0.00 O ATOM 1155 CB ALA A 952 -3.253 -3.149 10.136 1.00 0.00 C ATOM 0 H ALA A 952 -2.490 -0.877 10.730 1.00 0.00 H new ATOM 0 HA ALA A 952 -4.080 -2.817 12.081 1.00 0.00 H new ATOM 0 HB1 ALA A 952 -3.512 -4.208 10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 952 -4.035 -2.575 9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 952 -2.307 -2.997 9.617 1.00 0.00 H new ATOM 1161 N LEU A 953 -0.818 -3.152 12.179 1.00 0.00 N ATOM 1162 CA LEU A 953 0.269 -3.874 12.831 1.00 0.00 C ATOM 1163 C LEU A 953 0.191 -3.725 14.347 1.00 0.00 C ATOM 1164 O LEU A 953 0.340 -4.698 15.086 1.00 0.00 O ATOM 1165 CB LEU A 953 1.620 -3.365 12.326 1.00 0.00 C ATOM 1166 CG LEU A 953 1.844 -3.441 10.815 1.00 0.00 C ATOM 1167 CD1 LEU A 953 2.999 -2.542 10.401 1.00 0.00 C ATOM 1168 CD2 LEU A 953 2.104 -4.878 10.386 1.00 0.00 C ATOM 0 H LEU A 953 -0.518 -2.350 11.624 1.00 0.00 H new ATOM 0 HA LEU A 953 0.170 -4.931 12.583 1.00 0.00 H new ATOM 0 HB2 LEU A 953 1.734 -2.327 12.638 1.00 0.00 H new ATOM 0 HB3 LEU A 953 2.408 -3.935 12.819 1.00 0.00 H new ATOM 0 HG LEU A 953 0.941 -3.091 10.315 1.00 0.00 H new ATOM 0 HD11 LEU A 953 3.144 -2.609 9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 953 2.773 -1.511 10.674 1.00 0.00 H new ATOM 0 HD13 LEU A 953 3.909 -2.861 10.910 1.00 0.00 H new ATOM 0 HD21 LEU A 953 2.261 -4.913 9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 953 2.991 -5.255 10.895 1.00 0.00 H new ATOM 0 HD23 LEU A 953 1.246 -5.497 10.648 1.00 0.00 H new ATOM 1180 N THR A 954 -0.047 -2.499 14.804 1.00 0.00 N ATOM 1181 CA THR A 954 -0.147 -2.223 16.232 1.00 0.00 C ATOM 1182 C THR A 954 -1.276 -3.023 16.869 1.00 0.00 C ATOM 1183 O THR A 954 -1.213 -3.376 18.047 1.00 0.00 O ATOM 1184 CB THR A 954 -0.381 -0.724 16.498 1.00 0.00 C ATOM 1185 OG1 THR A 954 -1.532 -0.271 15.776 1.00 0.00 O ATOM 1186 CG2 THR A 954 0.835 0.095 16.089 1.00 0.00 C ATOM 0 H THR A 954 -0.174 -1.682 14.206 1.00 0.00 H new ATOM 0 HA THR A 954 0.801 -2.521 16.679 1.00 0.00 H new ATOM 0 HB THR A 954 -0.547 -0.590 17.567 1.00 0.00 H new ATOM 0 HG1 THR A 954 -1.871 -0.997 15.211 1.00 0.00 H new ATOM 0 HG21 THR A 954 0.646 1.150 16.286 1.00 0.00 H new ATOM 0 HG22 THR A 954 1.703 -0.231 16.662 1.00 0.00 H new ATOM 0 HG23 THR A 954 1.028 -0.046 15.026 1.00 0.00 H new