USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=14 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 Single : A 901 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.43) USER MOD Single : A 902 ASN : amide:sc= 0.381 X(o=0.38,f=-0.031) USER MOD Single : A 904 LYS NZ :NH3+ 166:sc= -0.0462 (180deg=-0.471) USER MOD Single : A 908 SER OG : rot 180:sc= 0 USER MOD Single : A 910 MET CE :methyl -143:sc= -0.693 (180deg=-2.13!) USER MOD Single : A 913 SER OG : rot 180:sc= 0 USER MOD Single : A 914 SER OG : rot -130:sc= -0.149 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 176:sc= 0.77 USER MOD Single : A 924 THR OG1 : rot 81:sc= 1.04 USER MOD Single : A 927 LYS NZ :NH3+ 149:sc= -0.137 (180deg=-1.14) USER MOD Single : A 929 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-3.1!) USER MOD Single : A 933 SER OG : rot 180:sc= 0 USER MOD Single : A 935 SER OG : rot 94:sc= 0.893 USER MOD Single : A 942 LYS NZ :NH3+ -132:sc= 0.0951 (180deg=0) USER MOD Single : A 944 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 947 ASN : amide:sc= 0.203 X(o=0.2,f=-0.14) USER MOD Single : A 949 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-6.8!) USER MOD Single : A 954 THR OG1 : rot -0:sc= 0.347 USER MOD ----------------------------------------------------------------- ATOM 212 N ARG A 896 -6.330 -0.448 -12.108 1.00 0.00 N ATOM 213 CA ARG A 896 -6.022 0.207 -10.843 1.00 0.00 C ATOM 214 C ARG A 896 -5.862 -0.818 -9.724 1.00 0.00 C ATOM 215 O ARG A 896 -4.902 -0.768 -8.956 1.00 0.00 O ATOM 216 CB ARG A 896 -7.123 1.205 -10.480 1.00 0.00 C ATOM 217 CG ARG A 896 -6.992 1.773 -9.076 1.00 0.00 C ATOM 218 CD ARG A 896 -7.740 3.089 -8.935 1.00 0.00 C ATOM 219 NE ARG A 896 -6.937 4.225 -9.379 1.00 0.00 N ATOM 220 CZ ARG A 896 -7.453 5.397 -9.733 1.00 0.00 C ATOM 221 NH1 ARG A 896 -8.765 5.585 -9.696 1.00 0.00 N ATOM 222 NH2 ARG A 896 -6.656 6.383 -10.126 1.00 0.00 N ATOM 0 HA ARG A 896 -5.079 0.742 -10.960 1.00 0.00 H new ATOM 0 HB2 ARG A 896 -7.109 2.025 -11.197 1.00 0.00 H new ATOM 0 HB3 ARG A 896 -8.092 0.715 -10.575 1.00 0.00 H new ATOM 0 HG2 ARG A 896 -7.379 1.054 -8.354 1.00 0.00 H new ATOM 0 HG3 ARG A 896 -5.939 1.925 -8.841 1.00 0.00 H new ATOM 0 HD2 ARG A 896 -8.661 3.047 -9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 896 -8.027 3.233 -7.893 1.00 0.00 H new ATOM 0 HE ARG A 896 -5.924 4.112 -9.420 1.00 0.00 H new ATOM 0 HH11 ARG A 896 -9.380 4.829 -9.395 1.00 0.00 H new ATOM 0 HH12 ARG A 896 -9.159 6.486 -9.968 1.00 0.00 H new ATOM 0 HH21 ARG A 896 -5.646 6.241 -10.156 1.00 0.00 H new ATOM 0 HH22 ARG A 896 -7.053 7.282 -10.398 1.00 0.00 H new ATOM 236 N GLU A 897 -6.809 -1.748 -9.640 1.00 0.00 N ATOM 237 CA GLU A 897 -6.772 -2.784 -8.614 1.00 0.00 C ATOM 238 C GLU A 897 -5.367 -3.363 -8.476 1.00 0.00 C ATOM 239 O GLU A 897 -4.839 -3.479 -7.370 1.00 0.00 O ATOM 240 CB GLU A 897 -7.765 -3.899 -8.949 1.00 0.00 C ATOM 241 CG GLU A 897 -9.177 -3.624 -8.460 1.00 0.00 C ATOM 242 CD GLU A 897 -9.391 -4.055 -7.022 1.00 0.00 C ATOM 243 OE1 GLU A 897 -9.123 -5.234 -6.710 1.00 0.00 O ATOM 244 OE2 GLU A 897 -9.827 -3.213 -6.210 1.00 0.00 O ATOM 0 H GLU A 897 -7.610 -1.805 -10.269 1.00 0.00 H new ATOM 0 HA GLU A 897 -7.053 -2.330 -7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 897 -7.785 -4.043 -10.029 1.00 0.00 H new ATOM 0 HB3 GLU A 897 -7.413 -4.832 -8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 897 -9.388 -2.558 -8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 897 -9.888 -4.146 -9.101 1.00 0.00 H new ATOM 251 N GLU A 898 -4.769 -3.725 -9.606 1.00 0.00 N ATOM 252 CA GLU A 898 -3.426 -4.293 -9.610 1.00 0.00 C ATOM 253 C GLU A 898 -2.464 -3.423 -8.807 1.00 0.00 C ATOM 254 O GLU A 898 -1.684 -3.925 -7.998 1.00 0.00 O ATOM 255 CB GLU A 898 -2.917 -4.445 -11.046 1.00 0.00 C ATOM 256 CG GLU A 898 -3.298 -5.767 -11.690 1.00 0.00 C ATOM 257 CD GLU A 898 -4.760 -5.820 -12.090 1.00 0.00 C ATOM 258 OE1 GLU A 898 -5.108 -5.252 -13.146 1.00 0.00 O ATOM 259 OE2 GLU A 898 -5.556 -6.431 -11.347 1.00 0.00 O ATOM 0 H GLU A 898 -5.192 -3.635 -10.530 1.00 0.00 H new ATOM 0 HA GLU A 898 -3.474 -5.277 -9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 898 -3.312 -3.629 -11.651 1.00 0.00 H new ATOM 0 HB3 GLU A 898 -1.831 -4.348 -11.050 1.00 0.00 H new ATOM 0 HG2 GLU A 898 -2.678 -5.930 -12.571 1.00 0.00 H new ATOM 0 HG3 GLU A 898 -3.085 -6.580 -10.996 1.00 0.00 H new ATOM 266 N ALA A 899 -2.525 -2.115 -9.038 1.00 0.00 N ATOM 267 CA ALA A 899 -1.662 -1.175 -8.335 1.00 0.00 C ATOM 268 C ALA A 899 -1.884 -1.245 -6.828 1.00 0.00 C ATOM 269 O ALA A 899 -0.929 -1.325 -6.054 1.00 0.00 O ATOM 270 CB ALA A 899 -1.902 0.240 -8.840 1.00 0.00 C ATOM 0 H ALA A 899 -3.163 -1.683 -9.706 1.00 0.00 H new ATOM 0 HA ALA A 899 -0.627 -1.451 -8.536 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -1.251 0.932 -8.306 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -1.685 0.287 -9.907 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -2.943 0.516 -8.669 1.00 0.00 H new ATOM 276 N ILE A 900 -3.147 -1.214 -6.419 1.00 0.00 N ATOM 277 CA ILE A 900 -3.493 -1.275 -5.005 1.00 0.00 C ATOM 278 C ILE A 900 -2.809 -2.454 -4.321 1.00 0.00 C ATOM 279 O ILE A 900 -1.951 -2.271 -3.459 1.00 0.00 O ATOM 280 CB ILE A 900 -5.016 -1.391 -4.802 1.00 0.00 C ATOM 281 CG1 ILE A 900 -5.718 -0.129 -5.309 1.00 0.00 C ATOM 282 CG2 ILE A 900 -5.338 -1.630 -3.334 1.00 0.00 C ATOM 283 CD1 ILE A 900 -7.221 -0.269 -5.399 1.00 0.00 C ATOM 0 H ILE A 900 -3.948 -1.147 -7.047 1.00 0.00 H new ATOM 0 HA ILE A 900 -3.144 -0.345 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 900 -5.381 -2.242 -5.377 1.00 0.00 H new ATOM 0 HG12 ILE A 900 -5.478 0.702 -4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 900 -5.325 0.125 -6.294 1.00 0.00 H new ATOM 0 HG21 ILE A 900 -6.418 -1.710 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 900 -4.864 -2.554 -3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 900 -4.963 -0.797 -2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 900 -7.652 0.663 -5.765 1.00 0.00 H new ATOM 0 HD12 ILE A 900 -7.471 -1.079 -6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 900 -7.625 -0.492 -4.412 1.00 0.00 H new ATOM 295 N GLN A 901 -3.195 -3.664 -4.715 1.00 0.00 N ATOM 296 CA GLN A 901 -2.617 -4.873 -4.141 1.00 0.00 C ATOM 297 C GLN A 901 -1.098 -4.767 -4.064 1.00 0.00 C ATOM 298 O GLN A 901 -0.504 -4.985 -3.009 1.00 0.00 O ATOM 299 CB GLN A 901 -3.014 -6.096 -4.970 1.00 0.00 C ATOM 300 CG GLN A 901 -4.413 -6.607 -4.670 1.00 0.00 C ATOM 301 CD GLN A 901 -4.650 -6.824 -3.188 1.00 0.00 C ATOM 302 OE1 GLN A 901 -5.453 -6.128 -2.567 1.00 0.00 O ATOM 303 NE2 GLN A 901 -3.949 -7.795 -2.612 1.00 0.00 N ATOM 0 H GLN A 901 -3.904 -3.832 -5.428 1.00 0.00 H new ATOM 0 HA GLN A 901 -3.006 -4.987 -3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 901 -2.948 -5.844 -6.028 1.00 0.00 H new ATOM 0 HB3 GLN A 901 -2.297 -6.896 -4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 901 -5.145 -5.895 -5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 901 -4.575 -7.545 -5.201 1.00 0.00 H new ATOM 0 HE21 GLN A 901 -3.294 -8.348 -3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 901 -4.066 -7.987 -1.617 1.00 0.00 H new ATOM 312 N ASN A 902 -0.475 -4.432 -5.189 1.00 0.00 N ATOM 313 CA ASN A 902 0.976 -4.298 -5.249 1.00 0.00 C ATOM 314 C ASN A 902 1.473 -3.293 -4.214 1.00 0.00 C ATOM 315 O ASN A 902 2.538 -3.469 -3.622 1.00 0.00 O ATOM 316 CB ASN A 902 1.412 -3.863 -6.650 1.00 0.00 C ATOM 317 CG ASN A 902 1.644 -5.042 -7.575 1.00 0.00 C ATOM 318 OD1 ASN A 902 2.516 -5.875 -7.331 1.00 0.00 O ATOM 319 ND2 ASN A 902 0.861 -5.117 -8.645 1.00 0.00 N ATOM 0 H ASN A 902 -0.952 -4.248 -6.072 1.00 0.00 H new ATOM 0 HA ASN A 902 1.415 -5.270 -5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.650 -3.212 -7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 902 2.328 -3.276 -6.577 1.00 0.00 H new ATOM 0 HD21 ASN A 902 0.970 -5.888 -9.304 1.00 0.00 H new ATOM 0 HD22 ASN A 902 0.150 -4.404 -8.808 1.00 0.00 H new ATOM 326 N PHE A 903 0.694 -2.237 -4.002 1.00 0.00 N ATOM 327 CA PHE A 903 1.054 -1.203 -3.039 1.00 0.00 C ATOM 328 C PHE A 903 0.994 -1.742 -1.613 1.00 0.00 C ATOM 329 O PHE A 903 1.910 -1.531 -0.818 1.00 0.00 O ATOM 330 CB PHE A 903 0.121 0.002 -3.180 1.00 0.00 C ATOM 331 CG PHE A 903 0.678 1.264 -2.587 1.00 0.00 C ATOM 332 CD1 PHE A 903 1.856 1.811 -3.069 1.00 0.00 C ATOM 333 CD2 PHE A 903 0.023 1.904 -1.546 1.00 0.00 C ATOM 334 CE1 PHE A 903 2.371 2.973 -2.525 1.00 0.00 C ATOM 335 CE2 PHE A 903 0.533 3.066 -0.999 1.00 0.00 C ATOM 336 CZ PHE A 903 1.709 3.600 -1.488 1.00 0.00 C ATOM 0 H PHE A 903 -0.190 -2.075 -4.484 1.00 0.00 H new ATOM 0 HA PHE A 903 2.077 -0.889 -3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 903 -0.088 0.168 -4.237 1.00 0.00 H new ATOM 0 HB3 PHE A 903 -0.830 -0.227 -2.699 1.00 0.00 H new ATOM 0 HD1 PHE A 903 2.378 1.324 -3.879 1.00 0.00 H new ATOM 0 HD2 PHE A 903 -0.896 1.490 -1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 903 3.290 3.390 -2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 903 0.012 3.556 -0.190 1.00 0.00 H new ATOM 0 HZ PHE A 903 2.110 4.507 -1.060 1.00 0.00 H new ATOM 346 N LYS A 904 -0.091 -2.440 -1.296 1.00 0.00 N ATOM 347 CA LYS A 904 -0.272 -3.012 0.034 1.00 0.00 C ATOM 348 C LYS A 904 0.940 -3.844 0.438 1.00 0.00 C ATOM 349 O LYS A 904 1.554 -3.600 1.476 1.00 0.00 O ATOM 350 CB LYS A 904 -1.534 -3.877 0.071 1.00 0.00 C ATOM 351 CG LYS A 904 -2.786 -3.147 -0.385 1.00 0.00 C ATOM 352 CD LYS A 904 -3.148 -2.016 0.563 1.00 0.00 C ATOM 353 CE LYS A 904 -4.648 -1.763 0.580 1.00 0.00 C ATOM 354 NZ LYS A 904 -5.102 -1.210 1.886 1.00 0.00 N ATOM 0 H LYS A 904 -0.859 -2.624 -1.942 1.00 0.00 H new ATOM 0 HA LYS A 904 -0.380 -2.192 0.744 1.00 0.00 H new ATOM 0 HB2 LYS A 904 -1.383 -4.752 -0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 904 -1.685 -4.241 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 904 -2.631 -2.747 -1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 904 -3.616 -3.851 -0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 904 -2.807 -2.260 1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 904 -2.628 -1.107 0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 904 -4.908 -1.068 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 904 -5.176 -2.695 0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 904 -6.066 -0.832 1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 904 -5.098 -1.964 2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 904 -4.460 -0.447 2.182 1.00 0.00 H new ATOM 368 N ALA A 905 1.280 -4.827 -0.390 1.00 0.00 N ATOM 369 CA ALA A 905 2.422 -5.692 -0.120 1.00 0.00 C ATOM 370 C ALA A 905 3.706 -4.881 0.016 1.00 0.00 C ATOM 371 O ALA A 905 4.483 -5.083 0.950 1.00 0.00 O ATOM 372 CB ALA A 905 2.566 -6.733 -1.221 1.00 0.00 C ATOM 0 H ALA A 905 0.781 -5.044 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 905 2.245 -6.202 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 905 3.422 -7.372 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 905 1.662 -7.341 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 905 2.717 -6.232 -2.178 1.00 0.00 H new ATOM 378 N LEU A 906 3.923 -3.965 -0.920 1.00 0.00 N ATOM 379 CA LEU A 906 5.114 -3.123 -0.905 1.00 0.00 C ATOM 380 C LEU A 906 5.195 -2.316 0.387 1.00 0.00 C ATOM 381 O LEU A 906 6.279 -2.096 0.928 1.00 0.00 O ATOM 382 CB LEU A 906 5.112 -2.180 -2.110 1.00 0.00 C ATOM 383 CG LEU A 906 6.064 -0.986 -2.030 1.00 0.00 C ATOM 384 CD1 LEU A 906 7.494 -1.425 -2.305 1.00 0.00 C ATOM 385 CD2 LEU A 906 5.640 0.101 -3.006 1.00 0.00 C ATOM 0 H LEU A 906 3.290 -3.786 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 906 5.988 -3.772 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 906 5.361 -2.759 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 906 4.099 -1.803 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 906 6.019 -0.577 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 906 8.158 -0.562 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 906 7.795 -2.168 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 906 7.556 -1.860 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 906 6.329 0.943 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 906 5.655 -0.296 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 906 4.632 0.436 -2.762 1.00 0.00 H new ATOM 397 N LEU A 907 4.040 -1.879 0.878 1.00 0.00 N ATOM 398 CA LEU A 907 3.979 -1.098 2.108 1.00 0.00 C ATOM 399 C LEU A 907 4.455 -1.922 3.300 1.00 0.00 C ATOM 400 O LEU A 907 5.236 -1.446 4.124 1.00 0.00 O ATOM 401 CB LEU A 907 2.551 -0.605 2.352 1.00 0.00 C ATOM 402 CG LEU A 907 2.074 0.538 1.455 1.00 0.00 C ATOM 403 CD1 LEU A 907 0.584 0.778 1.644 1.00 0.00 C ATOM 404 CD2 LEU A 907 2.861 1.808 1.745 1.00 0.00 C ATOM 0 H LEU A 907 3.134 -2.052 0.443 1.00 0.00 H new ATOM 0 HA LEU A 907 4.640 -0.238 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 907 1.871 -1.447 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 907 2.471 -0.283 3.390 1.00 0.00 H new ATOM 0 HG LEU A 907 2.248 0.256 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 907 0.262 1.595 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 907 0.034 -0.127 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 907 0.386 1.039 2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 907 2.508 2.611 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 907 2.719 2.094 2.787 1.00 0.00 H new ATOM 0 HD23 LEU A 907 3.920 1.630 1.558 1.00 0.00 H new ATOM 416 N SER A 908 3.980 -3.161 3.385 1.00 0.00 N ATOM 417 CA SER A 908 4.356 -4.051 4.477 1.00 0.00 C ATOM 418 C SER A 908 5.810 -4.492 4.342 1.00 0.00 C ATOM 419 O SER A 908 6.603 -4.348 5.273 1.00 0.00 O ATOM 420 CB SER A 908 3.440 -5.276 4.503 1.00 0.00 C ATOM 421 OG SER A 908 3.822 -6.177 5.527 1.00 0.00 O ATOM 0 H SER A 908 3.334 -3.571 2.710 1.00 0.00 H new ATOM 0 HA SER A 908 4.246 -3.504 5.413 1.00 0.00 H new ATOM 0 HB2 SER A 908 2.409 -4.959 4.659 1.00 0.00 H new ATOM 0 HB3 SER A 908 3.476 -5.781 3.538 1.00 0.00 H new ATOM 0 HG SER A 908 3.220 -6.950 5.523 1.00 0.00 H new ATOM 427 N ASP A 909 6.153 -5.029 3.177 1.00 0.00 N ATOM 428 CA ASP A 909 7.512 -5.491 2.918 1.00 0.00 C ATOM 429 C ASP A 909 8.525 -4.387 3.204 1.00 0.00 C ATOM 430 O ASP A 909 9.533 -4.614 3.872 1.00 0.00 O ATOM 431 CB ASP A 909 7.646 -5.961 1.469 1.00 0.00 C ATOM 432 CG ASP A 909 7.328 -7.434 1.305 1.00 0.00 C ATOM 433 OD1 ASP A 909 7.765 -8.233 2.160 1.00 0.00 O ATOM 434 OD2 ASP A 909 6.643 -7.788 0.323 1.00 0.00 O ATOM 0 H ASP A 909 5.509 -5.155 2.396 1.00 0.00 H new ATOM 0 HA ASP A 909 7.718 -6.329 3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 909 6.978 -5.376 0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 909 8.661 -5.771 1.121 1.00 0.00 H new ATOM 439 N MET A 910 8.249 -3.191 2.693 1.00 0.00 N ATOM 440 CA MET A 910 9.137 -2.052 2.894 1.00 0.00 C ATOM 441 C MET A 910 8.998 -1.497 4.309 1.00 0.00 C ATOM 442 O MET A 910 9.988 -1.133 4.943 1.00 0.00 O ATOM 443 CB MET A 910 8.834 -0.955 1.872 1.00 0.00 C ATOM 444 CG MET A 910 9.119 -1.367 0.436 1.00 0.00 C ATOM 445 SD MET A 910 10.864 -1.716 0.147 1.00 0.00 S ATOM 446 CE MET A 910 11.564 -0.072 0.273 1.00 0.00 C ATOM 0 H MET A 910 7.418 -2.986 2.137 1.00 0.00 H new ATOM 0 HA MET A 910 10.163 -2.394 2.756 1.00 0.00 H new ATOM 0 HB2 MET A 910 7.786 -0.669 1.958 1.00 0.00 H new ATOM 0 HB3 MET A 910 9.426 -0.072 2.112 1.00 0.00 H new ATOM 0 HG2 MET A 910 8.530 -2.251 0.192 1.00 0.00 H new ATOM 0 HG3 MET A 910 8.795 -0.573 -0.237 1.00 0.00 H new ATOM 0 HE1 MET A 910 12.369 0.037 -0.454 1.00 0.00 H new ATOM 0 HE2 MET A 910 10.791 0.669 0.072 1.00 0.00 H new ATOM 0 HE3 MET A 910 11.959 0.079 1.278 1.00 0.00 H new ATOM 456 N VAL A 911 7.763 -1.436 4.796 1.00 0.00 N ATOM 457 CA VAL A 911 7.495 -0.926 6.136 1.00 0.00 C ATOM 458 C VAL A 911 7.059 -2.047 7.073 1.00 0.00 C ATOM 459 O VAL A 911 5.873 -2.203 7.362 1.00 0.00 O ATOM 460 CB VAL A 911 6.405 0.163 6.115 1.00 0.00 C ATOM 461 CG1 VAL A 911 6.423 0.961 7.409 1.00 0.00 C ATOM 462 CG2 VAL A 911 6.589 1.076 4.912 1.00 0.00 C ATOM 0 H VAL A 911 6.933 -1.733 4.283 1.00 0.00 H new ATOM 0 HA VAL A 911 8.425 -0.491 6.501 1.00 0.00 H new ATOM 0 HB VAL A 911 5.432 -0.321 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 911 5.647 1.725 7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 911 6.239 0.293 8.251 1.00 0.00 H new ATOM 0 HG13 VAL A 911 7.396 1.437 7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 911 5.811 1.839 4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 911 7.567 1.555 4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 911 6.521 0.489 3.996 1.00 0.00 H new ATOM 472 N ARG A 912 8.028 -2.825 7.546 1.00 0.00 N ATOM 473 CA ARG A 912 7.744 -3.932 8.451 1.00 0.00 C ATOM 474 C ARG A 912 7.394 -3.420 9.845 1.00 0.00 C ATOM 475 O ARG A 912 6.809 -4.140 10.653 1.00 0.00 O ATOM 476 CB ARG A 912 8.947 -4.874 8.530 1.00 0.00 C ATOM 477 CG ARG A 912 8.716 -6.083 9.423 1.00 0.00 C ATOM 478 CD ARG A 912 9.752 -7.167 9.171 1.00 0.00 C ATOM 479 NE ARG A 912 9.607 -7.766 7.847 1.00 0.00 N ATOM 480 CZ ARG A 912 10.573 -8.445 7.238 1.00 0.00 C ATOM 481 NH1 ARG A 912 11.747 -8.610 7.831 1.00 0.00 N ATOM 482 NH2 ARG A 912 10.364 -8.960 6.033 1.00 0.00 N ATOM 0 H ARG A 912 9.015 -2.709 7.318 1.00 0.00 H new ATOM 0 HA ARG A 912 6.887 -4.479 8.058 1.00 0.00 H new ATOM 0 HB2 ARG A 912 9.196 -5.217 7.526 1.00 0.00 H new ATOM 0 HB3 ARG A 912 9.809 -4.319 8.900 1.00 0.00 H new ATOM 0 HG2 ARG A 912 8.755 -5.777 10.469 1.00 0.00 H new ATOM 0 HG3 ARG A 912 7.718 -6.483 9.245 1.00 0.00 H new ATOM 0 HD2 ARG A 912 10.751 -6.743 9.270 1.00 0.00 H new ATOM 0 HD3 ARG A 912 9.658 -7.942 9.932 1.00 0.00 H new ATOM 0 HE ARG A 912 8.716 -7.657 7.363 1.00 0.00 H new ATOM 0 HH11 ARG A 912 11.910 -8.215 8.757 1.00 0.00 H new ATOM 0 HH12 ARG A 912 12.487 -9.132 7.361 1.00 0.00 H new ATOM 0 HH21 ARG A 912 9.462 -8.835 5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 912 11.106 -9.481 5.566 1.00 0.00 H new ATOM 496 N SER A 913 7.756 -2.170 10.119 1.00 0.00 N ATOM 497 CA SER A 913 7.483 -1.562 11.416 1.00 0.00 C ATOM 498 C SER A 913 6.173 -0.782 11.386 1.00 0.00 C ATOM 499 O SER A 913 5.513 -0.695 10.350 1.00 0.00 O ATOM 500 CB SER A 913 8.632 -0.636 11.820 1.00 0.00 C ATOM 501 OG SER A 913 9.813 -1.374 12.085 1.00 0.00 O ATOM 0 H SER A 913 8.239 -1.559 9.460 1.00 0.00 H new ATOM 0 HA SER A 913 7.393 -2.361 12.152 1.00 0.00 H new ATOM 0 HB2 SER A 913 8.820 0.084 11.023 1.00 0.00 H new ATOM 0 HB3 SER A 913 8.350 -0.066 12.705 1.00 0.00 H new ATOM 0 HG SER A 913 10.533 -0.759 12.339 1.00 0.00 H new ATOM 507 N SER A 914 5.801 -0.217 12.530 1.00 0.00 N ATOM 508 CA SER A 914 4.567 0.553 12.637 1.00 0.00 C ATOM 509 C SER A 914 4.843 1.946 13.193 1.00 0.00 C ATOM 510 O SER A 914 4.204 2.922 12.799 1.00 0.00 O ATOM 511 CB SER A 914 3.563 -0.176 13.532 1.00 0.00 C ATOM 512 OG SER A 914 4.028 -0.246 14.869 1.00 0.00 O ATOM 0 H SER A 914 6.336 -0.278 13.396 1.00 0.00 H new ATOM 0 HA SER A 914 4.144 0.657 11.638 1.00 0.00 H new ATOM 0 HB2 SER A 914 2.604 0.341 13.504 1.00 0.00 H new ATOM 0 HB3 SER A 914 3.394 -1.183 13.149 1.00 0.00 H new ATOM 0 HG SER A 914 3.960 -1.169 15.191 1.00 0.00 H new ATOM 518 N ASP A 915 5.800 2.031 14.111 1.00 0.00 N ATOM 519 CA ASP A 915 6.163 3.305 14.722 1.00 0.00 C ATOM 520 C ASP A 915 7.094 4.099 13.811 1.00 0.00 C ATOM 521 O ASP A 915 8.107 4.636 14.258 1.00 0.00 O ATOM 522 CB ASP A 915 6.831 3.073 16.078 1.00 0.00 C ATOM 523 CG ASP A 915 5.858 2.566 17.124 1.00 0.00 C ATOM 524 OD1 ASP A 915 4.713 3.064 17.160 1.00 0.00 O ATOM 525 OD2 ASP A 915 6.240 1.671 17.905 1.00 0.00 O ATOM 0 H ASP A 915 6.338 1.233 14.448 1.00 0.00 H new ATOM 0 HA ASP A 915 5.250 3.882 14.870 1.00 0.00 H new ATOM 0 HB2 ASP A 915 7.642 2.354 15.962 1.00 0.00 H new ATOM 0 HB3 ASP A 915 7.278 4.005 16.424 1.00 0.00 H new ATOM 530 N VAL A 916 6.744 4.167 12.530 1.00 0.00 N ATOM 531 CA VAL A 916 7.549 4.895 11.556 1.00 0.00 C ATOM 532 C VAL A 916 6.910 6.234 11.206 1.00 0.00 C ATOM 533 O VAL A 916 5.881 6.608 11.769 1.00 0.00 O ATOM 534 CB VAL A 916 7.741 4.078 10.265 1.00 0.00 C ATOM 535 CG1 VAL A 916 8.557 2.824 10.542 1.00 0.00 C ATOM 536 CG2 VAL A 916 6.394 3.723 9.654 1.00 0.00 C ATOM 0 H VAL A 916 5.909 3.727 12.143 1.00 0.00 H new ATOM 0 HA VAL A 916 8.522 5.069 12.016 1.00 0.00 H new ATOM 0 HB VAL A 916 8.290 4.689 9.548 1.00 0.00 H new ATOM 0 HG11 VAL A 916 8.682 2.260 9.618 1.00 0.00 H new ATOM 0 HG12 VAL A 916 9.536 3.105 10.931 1.00 0.00 H new ATOM 0 HG13 VAL A 916 8.039 2.207 11.276 1.00 0.00 H new ATOM 0 HG21 VAL A 916 6.549 3.146 8.742 1.00 0.00 H new ATOM 0 HG22 VAL A 916 5.817 3.131 10.365 1.00 0.00 H new ATOM 0 HG23 VAL A 916 5.850 4.637 9.417 1.00 0.00 H new ATOM 546 N SER A 917 7.527 6.953 10.274 1.00 0.00 N ATOM 547 CA SER A 917 7.020 8.253 9.851 1.00 0.00 C ATOM 548 C SER A 917 6.540 8.204 8.403 1.00 0.00 C ATOM 549 O SER A 917 7.122 7.511 7.568 1.00 0.00 O ATOM 550 CB SER A 917 8.104 9.321 10.005 1.00 0.00 C ATOM 551 OG SER A 917 8.273 9.684 11.364 1.00 0.00 O ATOM 0 H SER A 917 8.379 6.657 9.797 1.00 0.00 H new ATOM 0 HA SER A 917 6.173 8.510 10.488 1.00 0.00 H new ATOM 0 HB2 SER A 917 9.047 8.947 9.605 1.00 0.00 H new ATOM 0 HB3 SER A 917 7.837 10.202 9.421 1.00 0.00 H new ATOM 0 HG SER A 917 8.972 10.367 11.436 1.00 0.00 H new ATOM 557 N TRP A 918 5.476 8.945 8.115 1.00 0.00 N ATOM 558 CA TRP A 918 4.917 8.987 6.768 1.00 0.00 C ATOM 559 C TRP A 918 5.962 9.448 5.759 1.00 0.00 C ATOM 560 O TRP A 918 6.221 8.769 4.765 1.00 0.00 O ATOM 561 CB TRP A 918 3.704 9.918 6.726 1.00 0.00 C ATOM 562 CG TRP A 918 3.348 10.367 5.342 1.00 0.00 C ATOM 563 CD1 TRP A 918 3.043 11.638 4.946 1.00 0.00 C ATOM 564 CD2 TRP A 918 3.258 9.548 4.171 1.00 0.00 C ATOM 565 NE1 TRP A 918 2.768 11.658 3.599 1.00 0.00 N ATOM 566 CE2 TRP A 918 2.895 10.389 3.101 1.00 0.00 C ATOM 567 CE3 TRP A 918 3.452 8.186 3.922 1.00 0.00 C ATOM 568 CZ2 TRP A 918 2.721 9.910 1.805 1.00 0.00 C ATOM 569 CZ3 TRP A 918 3.278 7.713 2.636 1.00 0.00 C ATOM 570 CH2 TRP A 918 2.916 8.573 1.590 1.00 0.00 C ATOM 0 H TRP A 918 4.983 9.524 8.795 1.00 0.00 H new ATOM 0 HA TRP A 918 4.602 7.978 6.501 1.00 0.00 H new ATOM 0 HB2 TRP A 918 2.848 9.407 7.166 1.00 0.00 H new ATOM 0 HB3 TRP A 918 3.905 10.793 7.344 1.00 0.00 H new ATOM 0 HD1 TRP A 918 3.021 12.501 5.595 1.00 0.00 H new ATOM 0 HE1 TRP A 918 2.511 12.484 3.059 1.00 0.00 H new ATOM 0 HE3 TRP A 918 3.733 7.516 4.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 918 2.442 10.571 0.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 918 3.423 6.662 2.433 1.00 0.00 H new ATOM 0 HH2 TRP A 918 2.789 8.172 0.595 1.00 0.00 H new ATOM 581 N SER A 919 6.561 10.606 6.020 1.00 0.00 N ATOM 582 CA SER A 919 7.576 11.159 5.131 1.00 0.00 C ATOM 583 C SER A 919 8.639 10.115 4.805 1.00 0.00 C ATOM 584 O SER A 919 8.945 9.868 3.638 1.00 0.00 O ATOM 585 CB SER A 919 8.229 12.386 5.770 1.00 0.00 C ATOM 586 OG SER A 919 7.289 13.432 5.943 1.00 0.00 O ATOM 0 H SER A 919 6.361 11.179 6.840 1.00 0.00 H new ATOM 0 HA SER A 919 7.088 11.457 4.203 1.00 0.00 H new ATOM 0 HB2 SER A 919 8.656 12.113 6.735 1.00 0.00 H new ATOM 0 HB3 SER A 919 9.051 12.732 5.144 1.00 0.00 H new ATOM 0 HG SER A 919 7.731 14.204 6.355 1.00 0.00 H new ATOM 592 N ASP A 920 9.199 9.506 5.844 1.00 0.00 N ATOM 593 CA ASP A 920 10.228 8.487 5.669 1.00 0.00 C ATOM 594 C ASP A 920 9.780 7.428 4.667 1.00 0.00 C ATOM 595 O ASP A 920 10.505 7.100 3.727 1.00 0.00 O ATOM 596 CB ASP A 920 10.559 7.830 7.011 1.00 0.00 C ATOM 597 CG ASP A 920 11.289 8.769 7.951 1.00 0.00 C ATOM 598 OD1 ASP A 920 10.813 9.908 8.141 1.00 0.00 O ATOM 599 OD2 ASP A 920 12.337 8.364 8.496 1.00 0.00 O ATOM 0 H ASP A 920 8.958 9.700 6.816 1.00 0.00 H new ATOM 0 HA ASP A 920 11.123 8.973 5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 920 9.637 7.492 7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 920 11.172 6.945 6.838 1.00 0.00 H new ATOM 604 N THR A 921 8.580 6.894 4.874 1.00 0.00 N ATOM 605 CA THR A 921 8.036 5.871 3.991 1.00 0.00 C ATOM 606 C THR A 921 7.962 6.369 2.552 1.00 0.00 C ATOM 607 O THR A 921 8.568 5.787 1.652 1.00 0.00 O ATOM 608 CB THR A 921 6.631 5.429 4.442 1.00 0.00 C ATOM 609 OG1 THR A 921 6.703 4.804 5.728 1.00 0.00 O ATOM 610 CG2 THR A 921 6.019 4.464 3.437 1.00 0.00 C ATOM 0 H THR A 921 7.966 7.154 5.646 1.00 0.00 H new ATOM 0 HA THR A 921 8.712 5.017 4.043 1.00 0.00 H new ATOM 0 HB THR A 921 5.998 6.314 4.504 1.00 0.00 H new ATOM 0 HG1 THR A 921 5.799 4.586 6.037 1.00 0.00 H new ATOM 0 HG21 THR A 921 5.027 4.166 3.777 1.00 0.00 H new ATOM 0 HG22 THR A 921 5.938 4.953 2.466 1.00 0.00 H new ATOM 0 HG23 THR A 921 6.653 3.582 3.348 1.00 0.00 H new ATOM 618 N ARG A 922 7.218 7.450 2.342 1.00 0.00 N ATOM 619 CA ARG A 922 7.065 8.026 1.012 1.00 0.00 C ATOM 620 C ARG A 922 8.386 7.990 0.249 1.00 0.00 C ATOM 621 O ARG A 922 8.445 7.525 -0.890 1.00 0.00 O ATOM 622 CB ARG A 922 6.560 9.466 1.111 1.00 0.00 C ATOM 623 CG ARG A 922 6.035 10.020 -0.204 1.00 0.00 C ATOM 624 CD ARG A 922 5.242 11.300 0.008 1.00 0.00 C ATOM 625 NE ARG A 922 4.541 11.717 -1.204 1.00 0.00 N ATOM 626 CZ ARG A 922 4.094 12.951 -1.406 1.00 0.00 C ATOM 627 NH1 ARG A 922 4.275 13.885 -0.483 1.00 0.00 N ATOM 628 NH2 ARG A 922 3.466 13.253 -2.535 1.00 0.00 N ATOM 0 H ARG A 922 6.712 7.945 3.076 1.00 0.00 H new ATOM 0 HA ARG A 922 6.334 7.429 0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 922 5.767 9.513 1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 922 7.371 10.103 1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 922 6.870 10.215 -0.877 1.00 0.00 H new ATOM 0 HG3 ARG A 922 5.403 9.275 -0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 922 4.520 11.150 0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 922 5.915 12.095 0.329 1.00 0.00 H new ATOM 0 HE ARG A 922 4.386 11.022 -1.935 1.00 0.00 H new ATOM 0 HH11 ARG A 922 4.759 13.657 0.385 1.00 0.00 H new ATOM 0 HH12 ARG A 922 3.930 14.832 -0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 922 3.326 12.537 -3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 922 3.123 14.201 -2.690 1.00 0.00 H new ATOM 642 N ARG A 923 9.444 8.485 0.884 1.00 0.00 N ATOM 643 CA ARG A 923 10.763 8.511 0.265 1.00 0.00 C ATOM 644 C ARG A 923 11.328 7.100 0.129 1.00 0.00 C ATOM 645 O ARG A 923 12.020 6.787 -0.841 1.00 0.00 O ATOM 646 CB ARG A 923 11.719 9.377 1.087 1.00 0.00 C ATOM 647 CG ARG A 923 12.861 9.964 0.275 1.00 0.00 C ATOM 648 CD ARG A 923 13.447 11.197 0.946 1.00 0.00 C ATOM 649 NE ARG A 923 14.830 11.434 0.544 1.00 0.00 N ATOM 650 CZ ARG A 923 15.702 12.117 1.278 1.00 0.00 C ATOM 651 NH1 ARG A 923 15.335 12.627 2.445 1.00 0.00 N ATOM 652 NH2 ARG A 923 16.944 12.290 0.844 1.00 0.00 N ATOM 0 H ARG A 923 9.413 8.873 1.827 1.00 0.00 H new ATOM 0 HA ARG A 923 10.660 8.941 -0.732 1.00 0.00 H new ATOM 0 HB2 ARG A 923 11.156 10.190 1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 923 12.132 8.778 1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 923 13.641 9.213 0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 923 12.504 10.226 -0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 923 12.842 12.068 0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 923 13.400 11.078 2.028 1.00 0.00 H new ATOM 0 HE ARG A 923 15.144 11.055 -0.349 1.00 0.00 H new ATOM 0 HH11 ARG A 923 14.381 12.496 2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 923 16.006 13.151 3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 923 17.230 11.899 -0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 923 17.613 12.814 1.408 1.00 0.00 H new ATOM 666 N THR A 924 11.029 6.251 1.107 1.00 0.00 N ATOM 667 CA THR A 924 11.508 4.875 1.098 1.00 0.00 C ATOM 668 C THR A 924 10.903 4.090 -0.060 1.00 0.00 C ATOM 669 O THR A 924 11.529 3.176 -0.598 1.00 0.00 O ATOM 670 CB THR A 924 11.176 4.156 2.420 1.00 0.00 C ATOM 671 OG1 THR A 924 11.683 4.909 3.527 1.00 0.00 O ATOM 672 CG2 THR A 924 11.771 2.756 2.438 1.00 0.00 C ATOM 0 H THR A 924 10.457 6.493 1.916 1.00 0.00 H new ATOM 0 HA THR A 924 12.591 4.918 0.978 1.00 0.00 H new ATOM 0 HB THR A 924 10.092 4.074 2.502 1.00 0.00 H new ATOM 0 HG1 THR A 924 11.065 5.641 3.735 1.00 0.00 H new ATOM 0 HG21 THR A 924 11.524 2.268 3.381 1.00 0.00 H new ATOM 0 HG22 THR A 924 11.362 2.176 1.611 1.00 0.00 H new ATOM 0 HG23 THR A 924 12.854 2.820 2.336 1.00 0.00 H new ATOM 680 N LEU A 925 9.682 4.452 -0.440 1.00 0.00 N ATOM 681 CA LEU A 925 8.992 3.781 -1.536 1.00 0.00 C ATOM 682 C LEU A 925 9.289 4.466 -2.866 1.00 0.00 C ATOM 683 O LEU A 925 9.301 3.824 -3.917 1.00 0.00 O ATOM 684 CB LEU A 925 7.484 3.767 -1.282 1.00 0.00 C ATOM 685 CG LEU A 925 7.035 3.197 0.064 1.00 0.00 C ATOM 686 CD1 LEU A 925 5.592 3.580 0.351 1.00 0.00 C ATOM 687 CD2 LEU A 925 7.201 1.684 0.085 1.00 0.00 C ATOM 0 H LEU A 925 9.150 5.206 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 925 9.355 2.755 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 925 7.113 4.789 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 925 7.008 3.191 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 925 7.665 3.623 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 925 5.290 3.166 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 925 5.503 4.666 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 925 4.947 3.183 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 925 6.877 1.296 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 925 6.596 1.241 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 925 8.249 1.431 -0.074 1.00 0.00 H new ATOM 699 N ARG A 926 9.530 5.772 -2.813 1.00 0.00 N ATOM 700 CA ARG A 926 9.828 6.543 -4.014 1.00 0.00 C ATOM 701 C ARG A 926 11.036 5.966 -4.745 1.00 0.00 C ATOM 702 O ARG A 926 10.921 5.482 -5.871 1.00 0.00 O ATOM 703 CB ARG A 926 10.088 8.007 -3.653 1.00 0.00 C ATOM 704 CG ARG A 926 8.829 8.859 -3.619 1.00 0.00 C ATOM 705 CD ARG A 926 9.134 10.287 -3.197 1.00 0.00 C ATOM 706 NE ARG A 926 9.806 11.039 -4.254 1.00 0.00 N ATOM 707 CZ ARG A 926 10.539 12.124 -4.033 1.00 0.00 C ATOM 708 NH1 ARG A 926 10.695 12.582 -2.798 1.00 0.00 N ATOM 709 NH2 ARG A 926 11.119 12.753 -5.047 1.00 0.00 N ATOM 0 H ARG A 926 9.525 6.318 -1.952 1.00 0.00 H new ATOM 0 HA ARG A 926 8.964 6.486 -4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 926 10.573 8.051 -2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 926 10.785 8.432 -4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 926 8.363 8.861 -4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 926 8.110 8.420 -2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 926 8.206 10.791 -2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 926 9.761 10.275 -2.306 1.00 0.00 H new ATOM 0 HE ARG A 926 9.707 10.712 -5.215 1.00 0.00 H new ATOM 0 HH11 ARG A 926 10.252 12.101 -2.016 1.00 0.00 H new ATOM 0 HH12 ARG A 926 11.258 13.416 -2.631 1.00 0.00 H new ATOM 0 HH21 ARG A 926 11.002 12.403 -5.998 1.00 0.00 H new ATOM 0 HH22 ARG A 926 11.682 13.586 -4.876 1.00 0.00 H new ATOM 723 N LYS A 927 12.195 6.021 -4.097 1.00 0.00 N ATOM 724 CA LYS A 927 13.425 5.504 -4.684 1.00 0.00 C ATOM 725 C LYS A 927 13.200 4.122 -5.289 1.00 0.00 C ATOM 726 O LYS A 927 13.688 3.825 -6.380 1.00 0.00 O ATOM 727 CB LYS A 927 14.529 5.435 -3.626 1.00 0.00 C ATOM 728 CG LYS A 927 14.134 4.655 -2.384 1.00 0.00 C ATOM 729 CD LYS A 927 14.847 5.177 -1.148 1.00 0.00 C ATOM 730 CE LYS A 927 16.270 4.648 -1.059 1.00 0.00 C ATOM 731 NZ LYS A 927 17.193 5.384 -1.967 1.00 0.00 N ATOM 0 H LYS A 927 12.308 6.419 -3.165 1.00 0.00 H new ATOM 0 HA LYS A 927 13.733 6.184 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 927 15.414 4.976 -4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 927 14.806 6.448 -3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 927 13.056 4.722 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 927 14.372 3.601 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 927 14.864 6.267 -1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 927 14.293 4.884 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 927 16.626 4.734 -0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 927 16.280 3.588 -1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 927 18.146 5.404 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 927 17.228 4.905 -2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 927 16.851 6.358 -2.095 1.00 0.00 H new ATOM 745 N ASP A 928 12.459 3.282 -4.576 1.00 0.00 N ATOM 746 CA ASP A 928 12.167 1.932 -5.045 1.00 0.00 C ATOM 747 C ASP A 928 11.616 1.959 -6.467 1.00 0.00 C ATOM 748 O ASP A 928 11.197 3.005 -6.963 1.00 0.00 O ATOM 749 CB ASP A 928 11.168 1.250 -4.110 1.00 0.00 C ATOM 750 CG ASP A 928 11.173 -0.259 -4.259 1.00 0.00 C ATOM 751 OD1 ASP A 928 10.843 -0.747 -5.359 1.00 0.00 O ATOM 752 OD2 ASP A 928 11.506 -0.952 -3.274 1.00 0.00 O ATOM 0 H ASP A 928 12.049 3.512 -3.671 1.00 0.00 H new ATOM 0 HA ASP A 928 13.097 1.364 -5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 928 11.404 1.511 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 928 10.167 1.629 -4.314 1.00 0.00 H new ATOM 757 N HIS A 929 11.619 0.800 -7.119 1.00 0.00 N ATOM 758 CA HIS A 929 11.120 0.690 -8.485 1.00 0.00 C ATOM 759 C HIS A 929 9.618 0.421 -8.495 1.00 0.00 C ATOM 760 O HIS A 929 8.876 1.019 -9.274 1.00 0.00 O ATOM 761 CB HIS A 929 11.854 -0.425 -9.231 1.00 0.00 C ATOM 762 CG HIS A 929 12.308 -1.542 -8.342 1.00 0.00 C ATOM 763 ND1 HIS A 929 13.403 -1.445 -7.511 1.00 0.00 N ATOM 764 CD2 HIS A 929 11.806 -2.785 -8.157 1.00 0.00 C ATOM 765 CE1 HIS A 929 13.557 -2.580 -6.854 1.00 0.00 C ATOM 766 NE2 HIS A 929 12.600 -3.411 -7.227 1.00 0.00 N ATOM 0 H HIS A 929 11.961 -0.076 -6.723 1.00 0.00 H new ATOM 0 HA HIS A 929 11.305 1.638 -8.990 1.00 0.00 H new ATOM 0 HB2 HIS A 929 11.197 -0.829 -10.002 1.00 0.00 H new ATOM 0 HB3 HIS A 929 12.720 -0.002 -9.740 1.00 0.00 H new ATOM 0 HD2 HIS A 929 10.942 -3.206 -8.649 1.00 0.00 H new ATOM 0 HE1 HIS A 929 14.333 -2.793 -6.134 1.00 0.00 H new ATOM 0 HE2 HIS A 929 12.472 -4.362 -6.881 1.00 0.00 H new ATOM 774 N ARG A 930 9.178 -0.482 -7.625 1.00 0.00 N ATOM 775 CA ARG A 930 7.766 -0.831 -7.535 1.00 0.00 C ATOM 776 C ARG A 930 6.891 0.417 -7.611 1.00 0.00 C ATOM 777 O ARG A 930 5.895 0.446 -8.334 1.00 0.00 O ATOM 778 CB ARG A 930 7.486 -1.584 -6.232 1.00 0.00 C ATOM 779 CG ARG A 930 7.902 -3.045 -6.272 1.00 0.00 C ATOM 780 CD ARG A 930 9.339 -3.228 -5.808 1.00 0.00 C ATOM 781 NE ARG A 930 9.680 -4.637 -5.627 1.00 0.00 N ATOM 782 CZ ARG A 930 9.159 -5.403 -4.675 1.00 0.00 C ATOM 783 NH1 ARG A 930 8.277 -4.899 -3.823 1.00 0.00 N ATOM 784 NH2 ARG A 930 9.520 -6.676 -4.575 1.00 0.00 N ATOM 0 H ARG A 930 9.779 -0.985 -6.972 1.00 0.00 H new ATOM 0 HA ARG A 930 7.523 -1.476 -8.379 1.00 0.00 H new ATOM 0 HB2 ARG A 930 8.011 -1.088 -5.416 1.00 0.00 H new ATOM 0 HB3 ARG A 930 6.421 -1.524 -6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 930 7.236 -3.631 -5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 930 7.795 -3.427 -7.287 1.00 0.00 H new ATOM 0 HD2 ARG A 930 10.015 -2.782 -6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 930 9.487 -2.695 -4.869 1.00 0.00 H new ATOM 0 HE ARG A 930 10.355 -5.056 -6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 930 7.997 -3.921 -3.898 1.00 0.00 H new ATOM 0 HH12 ARG A 930 7.878 -5.489 -3.093 1.00 0.00 H new ATOM 0 HH21 ARG A 930 10.198 -7.067 -5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 930 9.120 -7.264 -3.844 1.00 0.00 H new ATOM 798 N TRP A 931 7.270 1.445 -6.860 1.00 0.00 N ATOM 799 CA TRP A 931 6.520 2.696 -6.842 1.00 0.00 C ATOM 800 C TRP A 931 6.155 3.132 -8.257 1.00 0.00 C ATOM 801 O TRP A 931 5.048 3.611 -8.501 1.00 0.00 O ATOM 802 CB TRP A 931 7.332 3.792 -6.151 1.00 0.00 C ATOM 803 CG TRP A 931 6.679 5.140 -6.206 1.00 0.00 C ATOM 804 CD1 TRP A 931 6.532 5.935 -7.307 1.00 0.00 C ATOM 805 CD2 TRP A 931 6.087 5.850 -5.113 1.00 0.00 C ATOM 806 NE1 TRP A 931 5.884 7.097 -6.964 1.00 0.00 N ATOM 807 CE2 TRP A 931 5.599 7.069 -5.624 1.00 0.00 C ATOM 808 CE3 TRP A 931 5.919 5.574 -3.754 1.00 0.00 C ATOM 809 CZ2 TRP A 931 4.957 8.008 -4.822 1.00 0.00 C ATOM 810 CZ3 TRP A 931 5.282 6.508 -2.959 1.00 0.00 C ATOM 811 CH2 TRP A 931 4.806 7.713 -3.494 1.00 0.00 C ATOM 0 H TRP A 931 8.092 1.437 -6.256 1.00 0.00 H new ATOM 0 HA TRP A 931 5.599 2.530 -6.284 1.00 0.00 H new ATOM 0 HB2 TRP A 931 7.489 3.515 -5.109 1.00 0.00 H new ATOM 0 HB3 TRP A 931 8.316 3.854 -6.617 1.00 0.00 H new ATOM 0 HD1 TRP A 931 6.875 5.687 -8.301 1.00 0.00 H new ATOM 0 HE1 TRP A 931 5.653 7.857 -7.603 1.00 0.00 H new ATOM 0 HE3 TRP A 931 6.280 4.648 -3.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 931 4.591 8.937 -5.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 931 5.149 6.306 -1.907 1.00 0.00 H new ATOM 0 HH2 TRP A 931 4.311 8.422 -2.846 1.00 0.00 H new ATOM 822 N GLU A 932 7.092 2.962 -9.184 1.00 0.00 N ATOM 823 CA GLU A 932 6.867 3.339 -10.575 1.00 0.00 C ATOM 824 C GLU A 932 5.420 3.078 -10.982 1.00 0.00 C ATOM 825 O GLU A 932 4.733 3.970 -11.480 1.00 0.00 O ATOM 826 CB GLU A 932 7.815 2.568 -11.496 1.00 0.00 C ATOM 827 CG GLU A 932 9.242 3.089 -11.474 1.00 0.00 C ATOM 828 CD GLU A 932 9.431 4.309 -12.355 1.00 0.00 C ATOM 829 OE1 GLU A 932 9.205 4.197 -13.578 1.00 0.00 O ATOM 830 OE2 GLU A 932 9.805 5.374 -11.822 1.00 0.00 O ATOM 0 H GLU A 932 8.013 2.566 -8.998 1.00 0.00 H new ATOM 0 HA GLU A 932 7.067 4.406 -10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 932 7.816 1.518 -11.205 1.00 0.00 H new ATOM 0 HB3 GLU A 932 7.435 2.616 -12.517 1.00 0.00 H new ATOM 0 HG2 GLU A 932 9.518 3.339 -10.450 1.00 0.00 H new ATOM 0 HG3 GLU A 932 9.918 2.300 -11.803 1.00 0.00 H new ATOM 837 N SER A 933 4.964 1.848 -10.767 1.00 0.00 N ATOM 838 CA SER A 933 3.600 1.466 -11.115 1.00 0.00 C ATOM 839 C SER A 933 2.598 2.085 -10.145 1.00 0.00 C ATOM 840 O SER A 933 1.474 2.413 -10.521 1.00 0.00 O ATOM 841 CB SER A 933 3.457 -0.057 -11.112 1.00 0.00 C ATOM 842 OG SER A 933 4.578 -0.676 -11.719 1.00 0.00 O ATOM 0 H SER A 933 5.519 1.099 -10.353 1.00 0.00 H new ATOM 0 HA SER A 933 3.389 1.841 -12.116 1.00 0.00 H new ATOM 0 HB2 SER A 933 3.351 -0.413 -10.087 1.00 0.00 H new ATOM 0 HB3 SER A 933 2.549 -0.341 -11.643 1.00 0.00 H new ATOM 0 HG SER A 933 4.463 -1.649 -11.703 1.00 0.00 H new ATOM 848 N GLY A 934 3.016 2.240 -8.892 1.00 0.00 N ATOM 849 CA GLY A 934 2.144 2.818 -7.886 1.00 0.00 C ATOM 850 C GLY A 934 1.648 4.197 -8.272 1.00 0.00 C ATOM 851 O GLY A 934 0.738 4.736 -7.641 1.00 0.00 O ATOM 0 H GLY A 934 3.942 1.976 -8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 934 1.290 2.159 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 934 2.679 2.880 -6.938 1.00 0.00 H new ATOM 855 N SER A 935 2.248 4.771 -9.310 1.00 0.00 N ATOM 856 CA SER A 935 1.865 6.099 -9.776 1.00 0.00 C ATOM 857 C SER A 935 0.347 6.232 -9.851 1.00 0.00 C ATOM 858 O SER A 935 -0.221 7.245 -9.442 1.00 0.00 O ATOM 859 CB SER A 935 2.482 6.379 -11.148 1.00 0.00 C ATOM 860 OG SER A 935 3.873 6.626 -11.040 1.00 0.00 O ATOM 0 H SER A 935 3.001 4.337 -9.844 1.00 0.00 H new ATOM 0 HA SER A 935 2.241 6.830 -9.061 1.00 0.00 H new ATOM 0 HB2 SER A 935 2.311 5.529 -11.808 1.00 0.00 H new ATOM 0 HB3 SER A 935 1.991 7.239 -11.603 1.00 0.00 H new ATOM 0 HG SER A 935 4.366 5.791 -11.183 1.00 0.00 H new ATOM 866 N LEU A 936 -0.305 5.201 -10.377 1.00 0.00 N ATOM 867 CA LEU A 936 -1.758 5.200 -10.508 1.00 0.00 C ATOM 868 C LEU A 936 -2.414 5.834 -9.286 1.00 0.00 C ATOM 869 O LEU A 936 -3.352 6.623 -9.410 1.00 0.00 O ATOM 870 CB LEU A 936 -2.272 3.771 -10.694 1.00 0.00 C ATOM 871 CG LEU A 936 -2.034 3.146 -12.068 1.00 0.00 C ATOM 872 CD1 LEU A 936 -2.174 1.633 -11.998 1.00 0.00 C ATOM 873 CD2 LEU A 936 -2.999 3.725 -13.092 1.00 0.00 C ATOM 0 H LEU A 936 0.150 4.355 -10.720 1.00 0.00 H new ATOM 0 HA LEU A 936 -2.020 5.790 -11.386 1.00 0.00 H new ATOM 0 HB2 LEU A 936 -1.802 3.137 -9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 936 -3.343 3.763 -10.494 1.00 0.00 H new ATOM 0 HG LEU A 936 -1.017 3.382 -12.382 1.00 0.00 H new ATOM 0 HD11 LEU A 936 -2.001 1.206 -12.986 1.00 0.00 H new ATOM 0 HD12 LEU A 936 -1.443 1.232 -11.296 1.00 0.00 H new ATOM 0 HD13 LEU A 936 -3.179 1.376 -11.662 1.00 0.00 H new ATOM 0 HD21 LEU A 936 -2.815 3.268 -14.064 1.00 0.00 H new ATOM 0 HD22 LEU A 936 -4.024 3.520 -12.783 1.00 0.00 H new ATOM 0 HD23 LEU A 936 -2.851 4.802 -13.163 1.00 0.00 H new ATOM 885 N LEU A 937 -1.915 5.485 -8.105 1.00 0.00 N ATOM 886 CA LEU A 937 -2.452 6.022 -6.859 1.00 0.00 C ATOM 887 C LEU A 937 -2.052 7.483 -6.679 1.00 0.00 C ATOM 888 O LEU A 937 -1.070 7.943 -7.259 1.00 0.00 O ATOM 889 CB LEU A 937 -1.957 5.196 -5.670 1.00 0.00 C ATOM 890 CG LEU A 937 -2.199 3.688 -5.753 1.00 0.00 C ATOM 891 CD1 LEU A 937 -1.366 2.956 -4.713 1.00 0.00 C ATOM 892 CD2 LEU A 937 -3.677 3.375 -5.573 1.00 0.00 C ATOM 0 H LEU A 937 -1.140 4.833 -7.984 1.00 0.00 H new ATOM 0 HA LEU A 937 -3.539 5.965 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 937 -0.886 5.366 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 937 -2.438 5.572 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 937 -1.893 3.344 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 937 -1.551 1.884 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 937 -0.309 3.154 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 937 -1.640 3.304 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 937 -3.831 2.298 -5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 937 -4.009 3.734 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 937 -4.252 3.869 -6.356 1.00 0.00 H new ATOM 904 N GLU A 938 -2.820 8.205 -5.869 1.00 0.00 N ATOM 905 CA GLU A 938 -2.545 9.614 -5.612 1.00 0.00 C ATOM 906 C GLU A 938 -2.159 9.835 -4.152 1.00 0.00 C ATOM 907 O GLU A 938 -2.393 8.978 -3.300 1.00 0.00 O ATOM 908 CB GLU A 938 -3.765 10.468 -5.963 1.00 0.00 C ATOM 909 CG GLU A 938 -4.986 10.163 -5.113 1.00 0.00 C ATOM 910 CD GLU A 938 -6.226 10.895 -5.589 1.00 0.00 C ATOM 911 OE1 GLU A 938 -6.708 10.584 -6.699 1.00 0.00 O ATOM 912 OE2 GLU A 938 -6.714 11.778 -4.854 1.00 0.00 O ATOM 0 H GLU A 938 -3.637 7.838 -5.380 1.00 0.00 H new ATOM 0 HA GLU A 938 -1.707 9.915 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -3.506 11.521 -5.848 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -4.016 10.314 -7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -5.175 9.090 -5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -4.781 10.437 -4.078 1.00 0.00 H new ATOM 919 N ARG A 939 -1.566 10.991 -3.871 1.00 0.00 N ATOM 920 CA ARG A 939 -1.146 11.325 -2.515 1.00 0.00 C ATOM 921 C ARG A 939 -2.224 10.947 -1.504 1.00 0.00 C ATOM 922 O ARG A 939 -1.922 10.579 -0.369 1.00 0.00 O ATOM 923 CB ARG A 939 -0.834 12.819 -2.409 1.00 0.00 C ATOM 924 CG ARG A 939 -2.026 13.714 -2.708 1.00 0.00 C ATOM 925 CD ARG A 939 -2.822 14.020 -1.449 1.00 0.00 C ATOM 926 NE ARG A 939 -3.950 14.908 -1.717 1.00 0.00 N ATOM 927 CZ ARG A 939 -3.815 16.190 -2.039 1.00 0.00 C ATOM 928 NH1 ARG A 939 -2.608 16.731 -2.132 1.00 0.00 N ATOM 929 NH2 ARG A 939 -4.890 16.934 -2.268 1.00 0.00 N ATOM 0 H ARG A 939 -1.366 11.712 -4.564 1.00 0.00 H new ATOM 0 HA ARG A 939 -0.245 10.755 -2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 939 -0.471 13.035 -1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 939 -0.026 13.062 -3.099 1.00 0.00 H new ATOM 0 HG2 ARG A 939 -1.680 14.645 -3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 939 -2.672 13.229 -3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 939 -3.188 13.089 -1.017 1.00 0.00 H new ATOM 0 HD3 ARG A 939 -2.167 14.479 -0.709 1.00 0.00 H new ATOM 0 HE ARG A 939 -4.893 14.523 -1.654 1.00 0.00 H new ATOM 0 HH11 ARG A 939 -1.779 16.163 -1.956 1.00 0.00 H new ATOM 0 HH12 ARG A 939 -2.508 17.715 -2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 939 -5.820 16.522 -2.197 1.00 0.00 H new ATOM 0 HH22 ARG A 939 -4.786 17.918 -2.515 1.00 0.00 H new ATOM 943 N GLU A 940 -3.482 11.041 -1.924 1.00 0.00 N ATOM 944 CA GLU A 940 -4.604 10.710 -1.053 1.00 0.00 C ATOM 945 C GLU A 940 -4.655 9.210 -0.778 1.00 0.00 C ATOM 946 O GLU A 940 -4.810 8.783 0.366 1.00 0.00 O ATOM 947 CB GLU A 940 -5.920 11.169 -1.684 1.00 0.00 C ATOM 948 CG GLU A 940 -7.044 11.358 -0.678 1.00 0.00 C ATOM 949 CD GLU A 940 -8.418 11.243 -1.310 1.00 0.00 C ATOM 950 OE1 GLU A 940 -8.672 10.233 -1.999 1.00 0.00 O ATOM 951 OE2 GLU A 940 -9.239 12.164 -1.114 1.00 0.00 O ATOM 0 H GLU A 940 -3.749 11.343 -2.861 1.00 0.00 H new ATOM 0 HA GLU A 940 -4.462 11.231 -0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -5.753 12.109 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -6.230 10.437 -2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -6.948 10.613 0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -6.945 12.336 -0.208 1.00 0.00 H new ATOM 958 N GLU A 941 -4.524 8.415 -1.836 1.00 0.00 N ATOM 959 CA GLU A 941 -4.556 6.963 -1.708 1.00 0.00 C ATOM 960 C GLU A 941 -3.323 6.454 -0.968 1.00 0.00 C ATOM 961 O GLU A 941 -3.424 5.610 -0.077 1.00 0.00 O ATOM 962 CB GLU A 941 -4.641 6.309 -3.089 1.00 0.00 C ATOM 963 CG GLU A 941 -6.065 6.086 -3.571 1.00 0.00 C ATOM 964 CD GLU A 941 -6.616 4.736 -3.157 1.00 0.00 C ATOM 965 OE1 GLU A 941 -6.318 4.295 -2.027 1.00 0.00 O ATOM 966 OE2 GLU A 941 -7.344 4.119 -3.962 1.00 0.00 O ATOM 0 H GLU A 941 -4.395 8.752 -2.790 1.00 0.00 H new ATOM 0 HA GLU A 941 -5.441 6.695 -1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 941 -4.116 6.935 -3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 941 -4.122 5.351 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 941 -6.706 6.873 -3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 941 -6.094 6.168 -4.657 1.00 0.00 H new ATOM 973 N LYS A 942 -2.159 6.973 -1.343 1.00 0.00 N ATOM 974 CA LYS A 942 -0.905 6.574 -0.715 1.00 0.00 C ATOM 975 C LYS A 942 -0.910 6.909 0.773 1.00 0.00 C ATOM 976 O LYS A 942 -0.628 6.053 1.611 1.00 0.00 O ATOM 977 CB LYS A 942 0.275 7.266 -1.400 1.00 0.00 C ATOM 978 CG LYS A 942 0.526 6.781 -2.817 1.00 0.00 C ATOM 979 CD LYS A 942 1.361 7.774 -3.608 1.00 0.00 C ATOM 980 CE LYS A 942 1.219 7.554 -5.106 1.00 0.00 C ATOM 981 NZ LYS A 942 1.542 8.784 -5.881 1.00 0.00 N ATOM 0 H LYS A 942 -2.058 7.672 -2.079 1.00 0.00 H new ATOM 0 HA LYS A 942 -0.800 5.495 -0.826 1.00 0.00 H new ATOM 0 HB2 LYS A 942 0.093 8.341 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 942 1.174 7.106 -0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 942 1.036 5.818 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -0.427 6.622 -3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 942 1.054 8.790 -3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 942 2.409 7.678 -3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 942 1.879 6.744 -5.418 1.00 0.00 H new ATOM 0 HE3 LYS A 942 0.200 7.240 -5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 0.796 8.957 -6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 1.602 9.596 -5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 2.454 8.659 -6.366 1.00 0.00 H new ATOM 995 N GLU A 943 -1.235 8.158 1.093 1.00 0.00 N ATOM 996 CA GLU A 943 -1.277 8.603 2.481 1.00 0.00 C ATOM 997 C GLU A 943 -2.245 7.751 3.297 1.00 0.00 C ATOM 998 O GLU A 943 -1.869 7.166 4.313 1.00 0.00 O ATOM 999 CB GLU A 943 -1.690 10.075 2.554 1.00 0.00 C ATOM 1000 CG GLU A 943 -1.342 10.740 3.876 1.00 0.00 C ATOM 1001 CD GLU A 943 -2.433 10.578 4.916 1.00 0.00 C ATOM 1002 OE1 GLU A 943 -3.612 10.453 4.525 1.00 0.00 O ATOM 1003 OE2 GLU A 943 -2.107 10.576 6.122 1.00 0.00 O ATOM 0 H GLU A 943 -1.473 8.878 0.411 1.00 0.00 H new ATOM 0 HA GLU A 943 -0.278 8.491 2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 943 -1.205 10.620 1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 943 -2.765 10.151 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 943 -0.414 10.315 4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 943 -1.161 11.802 3.708 1.00 0.00 H new ATOM 1010 N LYS A 944 -3.492 7.686 2.845 1.00 0.00 N ATOM 1011 CA LYS A 944 -4.515 6.905 3.531 1.00 0.00 C ATOM 1012 C LYS A 944 -4.103 5.441 3.635 1.00 0.00 C ATOM 1013 O LYS A 944 -4.068 4.871 4.726 1.00 0.00 O ATOM 1014 CB LYS A 944 -5.852 7.019 2.795 1.00 0.00 C ATOM 1015 CG LYS A 944 -7.054 6.685 3.661 1.00 0.00 C ATOM 1016 CD LYS A 944 -7.379 7.815 4.623 1.00 0.00 C ATOM 1017 CE LYS A 944 -8.059 8.975 3.912 1.00 0.00 C ATOM 1018 NZ LYS A 944 -9.510 8.718 3.694 1.00 0.00 N ATOM 0 H LYS A 944 -3.819 8.165 2.006 1.00 0.00 H new ATOM 0 HA LYS A 944 -4.627 7.305 4.539 1.00 0.00 H new ATOM 0 HB2 LYS A 944 -5.961 8.034 2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 944 -5.840 6.353 1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 944 -7.917 6.487 3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 944 -6.856 5.773 4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 944 -8.027 7.443 5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 944 -6.462 8.165 5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 944 -7.936 9.884 4.500 1.00 0.00 H new ATOM 0 HE3 LYS A 944 -7.573 9.148 2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 944 -9.937 9.532 3.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 944 -9.628 7.865 3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 944 -9.979 8.578 4.611 1.00 0.00 H new ATOM 1032 N LEU A 945 -3.791 4.836 2.494 1.00 0.00 N ATOM 1033 CA LEU A 945 -3.379 3.437 2.457 1.00 0.00 C ATOM 1034 C LEU A 945 -2.317 3.154 3.514 1.00 0.00 C ATOM 1035 O LEU A 945 -2.408 2.173 4.253 1.00 0.00 O ATOM 1036 CB LEU A 945 -2.842 3.080 1.070 1.00 0.00 C ATOM 1037 CG LEU A 945 -3.893 2.802 -0.006 1.00 0.00 C ATOM 1038 CD1 LEU A 945 -3.273 2.890 -1.392 1.00 0.00 C ATOM 1039 CD2 LEU A 945 -4.529 1.437 0.210 1.00 0.00 C ATOM 0 H LEU A 945 -3.815 5.292 1.582 1.00 0.00 H new ATOM 0 HA LEU A 945 -4.252 2.821 2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 945 -2.207 3.897 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 945 -2.206 2.200 1.164 1.00 0.00 H new ATOM 0 HG LEU A 945 -4.673 3.560 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 945 -4.035 2.689 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 945 -2.865 3.889 -1.545 1.00 0.00 H new ATOM 0 HD13 LEU A 945 -2.473 2.155 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 945 -5.274 1.256 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 945 -3.760 0.666 0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 945 -5.009 1.410 1.188 1.00 0.00 H new ATOM 1051 N PHE A 946 -1.312 4.020 3.583 1.00 0.00 N ATOM 1052 CA PHE A 946 -0.233 3.864 4.551 1.00 0.00 C ATOM 1053 C PHE A 946 -0.783 3.806 5.974 1.00 0.00 C ATOM 1054 O PHE A 946 -0.707 2.773 6.638 1.00 0.00 O ATOM 1055 CB PHE A 946 0.765 5.016 4.425 1.00 0.00 C ATOM 1056 CG PHE A 946 1.787 5.048 5.525 1.00 0.00 C ATOM 1057 CD1 PHE A 946 2.716 4.028 5.655 1.00 0.00 C ATOM 1058 CD2 PHE A 946 1.819 6.097 6.430 1.00 0.00 C ATOM 1059 CE1 PHE A 946 3.658 4.054 6.666 1.00 0.00 C ATOM 1060 CE2 PHE A 946 2.758 6.128 7.443 1.00 0.00 C ATOM 1061 CZ PHE A 946 3.679 5.105 7.562 1.00 0.00 C ATOM 0 H PHE A 946 -1.222 4.838 2.980 1.00 0.00 H new ATOM 0 HA PHE A 946 0.278 2.925 4.339 1.00 0.00 H new ATOM 0 HB2 PHE A 946 1.278 4.939 3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 946 0.219 5.960 4.420 1.00 0.00 H new ATOM 0 HD1 PHE A 946 2.704 3.203 4.958 1.00 0.00 H new ATOM 0 HD2 PHE A 946 1.102 6.900 6.342 1.00 0.00 H new ATOM 0 HE1 PHE A 946 4.377 3.253 6.755 1.00 0.00 H new ATOM 0 HE2 PHE A 946 2.772 6.952 8.142 1.00 0.00 H new ATOM 0 HZ PHE A 946 4.413 5.127 8.354 1.00 0.00 H new ATOM 1071 N ASN A 947 -1.336 4.924 6.434 1.00 0.00 N ATOM 1072 CA ASN A 947 -1.898 5.001 7.777 1.00 0.00 C ATOM 1073 C ASN A 947 -2.624 3.710 8.139 1.00 0.00 C ATOM 1074 O ASN A 947 -2.457 3.178 9.236 1.00 0.00 O ATOM 1075 CB ASN A 947 -2.859 6.187 7.883 1.00 0.00 C ATOM 1076 CG ASN A 947 -2.139 7.492 8.162 1.00 0.00 C ATOM 1077 OD1 ASN A 947 -2.038 7.924 9.311 1.00 0.00 O ATOM 1078 ND2 ASN A 947 -1.634 8.126 7.111 1.00 0.00 N ATOM 0 H ASN A 947 -1.407 5.788 5.897 1.00 0.00 H new ATOM 0 HA ASN A 947 -1.077 5.143 8.479 1.00 0.00 H new ATOM 0 HB2 ASN A 947 -3.423 6.278 6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 947 -3.581 5.996 8.677 1.00 0.00 H new ATOM 0 HD21 ASN A 947 -1.138 9.008 7.237 1.00 0.00 H new ATOM 0 HD22 ASN A 947 -1.742 7.731 6.177 1.00 0.00 H new ATOM 1085 N GLU A 948 -3.430 3.210 7.207 1.00 0.00 N ATOM 1086 CA GLU A 948 -4.183 1.980 7.429 1.00 0.00 C ATOM 1087 C GLU A 948 -3.242 0.802 7.665 1.00 0.00 C ATOM 1088 O GLU A 948 -3.369 0.080 8.655 1.00 0.00 O ATOM 1089 CB GLU A 948 -5.091 1.690 6.233 1.00 0.00 C ATOM 1090 CG GLU A 948 -6.407 2.449 6.269 1.00 0.00 C ATOM 1091 CD GLU A 948 -7.473 1.732 7.073 1.00 0.00 C ATOM 1092 OE1 GLU A 948 -7.646 0.511 6.873 1.00 0.00 O ATOM 1093 OE2 GLU A 948 -8.135 2.390 7.903 1.00 0.00 O ATOM 0 H GLU A 948 -3.578 3.637 6.293 1.00 0.00 H new ATOM 0 HA GLU A 948 -4.798 2.115 8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 948 -4.560 1.943 5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 948 -5.299 0.621 6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 948 -6.240 3.438 6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 948 -6.764 2.597 5.250 1.00 0.00 H new ATOM 1100 N HIS A 949 -2.298 0.613 6.748 1.00 0.00 N ATOM 1101 CA HIS A 949 -1.335 -0.477 6.856 1.00 0.00 C ATOM 1102 C HIS A 949 -0.696 -0.503 8.241 1.00 0.00 C ATOM 1103 O HIS A 949 -0.747 -1.516 8.940 1.00 0.00 O ATOM 1104 CB HIS A 949 -0.252 -0.337 5.785 1.00 0.00 C ATOM 1105 CG HIS A 949 0.976 -1.146 6.066 1.00 0.00 C ATOM 1106 ND1 HIS A 949 0.967 -2.522 6.158 1.00 0.00 N ATOM 1107 CD2 HIS A 949 2.258 -0.766 6.275 1.00 0.00 C ATOM 1108 CE1 HIS A 949 2.189 -2.953 6.413 1.00 0.00 C ATOM 1109 NE2 HIS A 949 2.992 -1.907 6.487 1.00 0.00 N ATOM 0 H HIS A 949 -2.180 1.200 5.922 1.00 0.00 H new ATOM 0 HA HIS A 949 -1.868 -1.416 6.703 1.00 0.00 H new ATOM 0 HB2 HIS A 949 -0.664 -0.639 4.822 1.00 0.00 H new ATOM 0 HB3 HIS A 949 0.027 0.713 5.697 1.00 0.00 H new ATOM 0 HD2 HIS A 949 2.634 0.246 6.275 1.00 0.00 H new ATOM 0 HE1 HIS A 949 2.482 -3.985 6.539 1.00 0.00 H new ATOM 0 HE2 HIS A 949 3.995 -1.941 6.672 1.00 0.00 H new ATOM 1117 N ILE A 950 -0.096 0.616 8.632 1.00 0.00 N ATOM 1118 CA ILE A 950 0.552 0.720 9.934 1.00 0.00 C ATOM 1119 C ILE A 950 -0.380 0.260 11.050 1.00 0.00 C ATOM 1120 O ILE A 950 -0.069 -0.678 11.782 1.00 0.00 O ATOM 1121 CB ILE A 950 1.007 2.163 10.222 1.00 0.00 C ATOM 1122 CG1 ILE A 950 2.021 2.621 9.171 1.00 0.00 C ATOM 1123 CG2 ILE A 950 1.602 2.262 11.618 1.00 0.00 C ATOM 1124 CD1 ILE A 950 3.415 2.080 9.400 1.00 0.00 C ATOM 0 H ILE A 950 -0.045 1.463 8.066 1.00 0.00 H new ATOM 0 HA ILE A 950 1.427 0.071 9.904 1.00 0.00 H new ATOM 0 HB ILE A 950 0.138 2.819 10.171 1.00 0.00 H new ATOM 0 HG12 ILE A 950 1.676 2.309 8.185 1.00 0.00 H new ATOM 0 HG13 ILE A 950 2.059 3.710 9.165 1.00 0.00 H new ATOM 0 HG21 ILE A 950 1.919 3.288 11.807 1.00 0.00 H new ATOM 0 HG22 ILE A 950 0.852 1.973 12.354 1.00 0.00 H new ATOM 0 HG23 ILE A 950 2.462 1.597 11.695 1.00 0.00 H new ATOM 0 HD11 ILE A 950 4.080 2.445 8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 950 3.780 2.414 10.371 1.00 0.00 H new ATOM 0 HD13 ILE A 950 3.391 0.991 9.376 1.00 0.00 H new ATOM 1136 N GLU A 951 -1.523 0.928 11.171 1.00 0.00 N ATOM 1137 CA GLU A 951 -2.500 0.586 12.198 1.00 0.00 C ATOM 1138 C GLU A 951 -2.733 -0.922 12.247 1.00 0.00 C ATOM 1139 O GLU A 951 -2.928 -1.495 13.319 1.00 0.00 O ATOM 1140 CB GLU A 951 -3.823 1.309 11.935 1.00 0.00 C ATOM 1141 CG GLU A 951 -3.880 2.707 12.527 1.00 0.00 C ATOM 1142 CD GLU A 951 -3.526 2.731 14.001 1.00 0.00 C ATOM 1143 OE1 GLU A 951 -4.140 1.963 14.771 1.00 0.00 O ATOM 1144 OE2 GLU A 951 -2.636 3.518 14.385 1.00 0.00 O ATOM 0 H GLU A 951 -1.795 1.707 10.572 1.00 0.00 H new ATOM 0 HA GLU A 951 -2.104 0.907 13.162 1.00 0.00 H new ATOM 0 HB2 GLU A 951 -3.985 1.372 10.859 1.00 0.00 H new ATOM 0 HB3 GLU A 951 -4.640 0.716 12.346 1.00 0.00 H new ATOM 0 HG2 GLU A 951 -3.195 3.356 11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 951 -4.882 3.115 12.391 1.00 0.00 H new ATOM 1151 N ALA A 952 -2.712 -1.556 11.080 1.00 0.00 N ATOM 1152 CA ALA A 952 -2.919 -2.996 10.989 1.00 0.00 C ATOM 1153 C ALA A 952 -1.780 -3.758 11.659 1.00 0.00 C ATOM 1154 O ALA A 952 -2.012 -4.656 12.470 1.00 0.00 O ATOM 1155 CB ALA A 952 -3.055 -3.419 9.534 1.00 0.00 C ATOM 0 H ALA A 952 -2.554 -1.095 10.184 1.00 0.00 H new ATOM 0 HA ALA A 952 -3.843 -3.239 11.514 1.00 0.00 H new ATOM 0 HB1 ALA A 952 -3.209 -4.497 9.481 1.00 0.00 H new ATOM 0 HB2 ALA A 952 -3.907 -2.908 9.085 1.00 0.00 H new ATOM 0 HB3 ALA A 952 -2.147 -3.155 8.992 1.00 0.00 H new ATOM 1161 N LEU A 953 -0.549 -3.395 11.316 1.00 0.00 N ATOM 1162 CA LEU A 953 0.627 -4.045 11.884 1.00 0.00 C ATOM 1163 C LEU A 953 0.488 -4.198 13.395 1.00 0.00 C ATOM 1164 O LEU A 953 0.579 -5.304 13.929 1.00 0.00 O ATOM 1165 CB LEU A 953 1.886 -3.241 11.555 1.00 0.00 C ATOM 1166 CG LEU A 953 2.353 -3.290 10.100 1.00 0.00 C ATOM 1167 CD1 LEU A 953 3.359 -2.183 9.824 1.00 0.00 C ATOM 1168 CD2 LEU A 953 2.952 -4.650 9.776 1.00 0.00 C ATOM 0 H LEU A 953 -0.339 -2.654 10.647 1.00 0.00 H new ATOM 0 HA LEU A 953 0.712 -5.038 11.443 1.00 0.00 H new ATOM 0 HB2 LEU A 953 1.708 -2.200 11.824 1.00 0.00 H new ATOM 0 HB3 LEU A 953 2.698 -3.599 12.188 1.00 0.00 H new ATOM 0 HG LEU A 953 1.487 -3.135 9.456 1.00 0.00 H new ATOM 0 HD11 LEU A 953 3.680 -2.234 8.784 1.00 0.00 H new ATOM 0 HD12 LEU A 953 2.896 -1.215 10.014 1.00 0.00 H new ATOM 0 HD13 LEU A 953 4.223 -2.306 10.477 1.00 0.00 H new ATOM 0 HD21 LEU A 953 3.279 -4.665 8.736 1.00 0.00 H new ATOM 0 HD22 LEU A 953 3.806 -4.836 10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 953 2.201 -5.425 9.932 1.00 0.00 H new ATOM 1180 N THR A 954 0.264 -3.081 14.080 1.00 0.00 N ATOM 1181 CA THR A 954 0.111 -3.091 15.529 1.00 0.00 C ATOM 1182 C THR A 954 -1.124 -3.882 15.946 1.00 0.00 C ATOM 1183 O THR A 954 -1.026 -4.860 16.688 1.00 0.00 O ATOM 1184 CB THR A 954 0.005 -1.661 16.093 1.00 0.00 C ATOM 1185 OG1 THR A 954 -1.060 -0.957 15.444 1.00 0.00 O ATOM 1186 CG2 THR A 954 1.311 -0.906 15.901 1.00 0.00 C ATOM 0 H THR A 954 0.185 -2.158 13.654 1.00 0.00 H new ATOM 0 HA THR A 954 1.001 -3.570 15.937 1.00 0.00 H new ATOM 0 HB THR A 954 -0.203 -1.729 17.161 1.00 0.00 H new ATOM 0 HG1 THR A 954 -1.480 -1.541 14.779 1.00 0.00 H new ATOM 0 HG21 THR A 954 1.212 0.101 16.307 1.00 0.00 H new ATOM 0 HG22 THR A 954 2.114 -1.429 16.420 1.00 0.00 H new ATOM 0 HG23 THR A 954 1.545 -0.847 14.838 1.00 0.00 H new