USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 481 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 885 CYS SG : rot 164:sc= 0.167! USER MOD Set 1.2: A 888 CYS SG : rot -46:sc= -0.144 USER MOD Set 1.3: A 892 TYR OH : rot 180:sc= 1.07 USER MOD Set 1.4: A 911 CYS SG : rot -121:sc= 0.574 USER MOD Set 1.5: A 913 LYS NZ :NH3+ -145:sc= 2.87 (180deg=-0.523) USER MOD Set 1.6: A 914 CYS SG : rot 131:sc= -0.626 USER MOD Set 2.1: A 870 CYS SG : rot -160:sc= 1.5 USER MOD Set 2.2: A 873 CYS SG : rot -67:sc= -1.79! USER MOD Set 2.3: A 880 SER OG : rot 17:sc= 0.471 USER MOD Set 2.4: A 882 MET CE :methyl -128:sc= 0 (180deg=-0.212) USER MOD Set 2.5: A 893 HIS : no HE2:sc= -0.426 K(o=-3.4,f=-7.6!) USER MOD Set 2.6: A 896 CYS SG : rot -143:sc= -3.18! USER MOD Single : A 857 TYR OH : rot 180:sc= 0 USER MOD Single : A 865 ASN : amide:sc= 0.142 K(o=0.14,f=-0.4) USER MOD Single : A 866 GLN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 874 ASN : amide:sc= -0.112 X(o=-0.11,f=0.21) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 900 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 907 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 908 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.016) USER MOD Single : A 916 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 917 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.14) USER MOD Single : P 1 ALA N :NH3+ -130:sc= 2.41 (180deg=0.439) USER MOD Single : P 3 THR OG1 : rot 41:sc= -0.0234 USER MOD Single : P 5 GLN : amide:sc= -0.443 K(o=-0.44,f=-1.3) USER MOD Single : P 6 THR OG1 : rot 109:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 12.679 6.030 4.905 1.00 0.00 N ATOM 2 CA ALA P 1 12.012 5.730 3.652 1.00 0.00 C ATOM 3 C ALA P 1 10.764 4.987 3.956 1.00 0.00 C ATOM 4 O ALA P 1 10.757 3.765 4.060 1.00 0.00 O ATOM 5 CB ALA P 1 12.887 4.905 2.712 1.00 0.00 C ATOM 0 H1 ALA P 1 12.926 7.040 4.934 1.00 0.00 H new ATOM 0 H2 ALA P 1 12.045 5.806 5.698 1.00 0.00 H new ATOM 0 H3 ALA P 1 13.545 5.460 4.982 1.00 0.00 H new ATOM 0 HA ALA P 1 11.796 6.669 3.143 1.00 0.00 H new ATOM 0 HB1 ALA P 1 12.343 4.707 1.789 1.00 0.00 H new ATOM 0 HB2 ALA P 1 13.799 5.458 2.485 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.145 3.960 3.191 1.00 0.00 H new ATOM 13 N ARG P 2 9.729 5.724 4.185 1.00 0.00 N ATOM 14 CA ARG P 2 8.472 5.156 4.495 1.00 0.00 C ATOM 15 C ARG P 2 7.835 4.726 3.193 1.00 0.00 C ATOM 16 O ARG P 2 7.719 5.527 2.263 1.00 0.00 O ATOM 17 CB ARG P 2 7.620 6.187 5.217 1.00 0.00 C ATOM 18 CG ARG P 2 6.422 5.602 5.900 1.00 0.00 C ATOM 19 CD ARG P 2 5.693 6.644 6.742 1.00 0.00 C ATOM 20 NE ARG P 2 6.532 7.107 7.855 1.00 0.00 N ATOM 21 CZ ARG P 2 6.125 7.848 8.890 1.00 0.00 C ATOM 22 NH1 ARG P 2 4.917 8.414 8.891 1.00 0.00 N ATOM 23 NH2 ARG P 2 6.954 8.060 9.907 1.00 0.00 N ATOM 0 H ARG P 2 9.738 6.744 4.161 1.00 0.00 H new ATOM 0 HA ARG P 2 8.573 4.292 5.152 1.00 0.00 H new ATOM 0 HB2 ARG P 2 8.235 6.701 5.956 1.00 0.00 H new ATOM 0 HB3 ARG P 2 7.289 6.938 4.500 1.00 0.00 H new ATOM 0 HG2 ARG P 2 5.740 5.194 5.154 1.00 0.00 H new ATOM 0 HG3 ARG P 2 6.733 4.773 6.535 1.00 0.00 H new ATOM 0 HD2 ARG P 2 5.414 7.492 6.116 1.00 0.00 H new ATOM 0 HD3 ARG P 2 4.769 6.218 7.132 1.00 0.00 H new ATOM 0 HE ARG P 2 7.516 6.838 7.836 1.00 0.00 H new ATOM 0 HH11 ARG P 2 4.292 8.283 8.096 1.00 0.00 H new ATOM 0 HH12 ARG P 2 4.618 8.977 9.687 1.00 0.00 H new ATOM 0 HH21 ARG P 2 7.892 7.659 9.893 1.00 0.00 H new ATOM 0 HH22 ARG P 2 6.653 8.624 10.702 1.00 0.00 H new ATOM 37 N THR P 3 7.497 3.483 3.098 1.00 0.00 N ATOM 38 CA THR P 3 6.938 2.945 1.902 1.00 0.00 C ATOM 39 C THR P 3 5.573 2.333 2.154 1.00 0.00 C ATOM 40 O THR P 3 5.402 1.516 3.054 1.00 0.00 O ATOM 41 CB THR P 3 7.898 1.916 1.275 1.00 0.00 C ATOM 42 OG1 THR P 3 8.488 1.088 2.309 1.00 0.00 O ATOM 43 CG2 THR P 3 8.989 2.609 0.483 1.00 0.00 C ATOM 0 H THR P 3 7.602 2.806 3.854 1.00 0.00 H new ATOM 0 HA THR P 3 6.802 3.764 1.196 1.00 0.00 H new ATOM 0 HB THR P 3 7.325 1.285 0.595 1.00 0.00 H new ATOM 0 HG1 THR P 3 7.807 0.865 2.978 1.00 0.00 H new ATOM 0 HG21 THR P 3 9.654 1.862 0.050 1.00 0.00 H new ATOM 0 HG22 THR P 3 8.540 3.201 -0.314 1.00 0.00 H new ATOM 0 HG23 THR P 3 9.559 3.263 1.143 1.00 0.00 H new ATOM 82 N GLN P 5 1.569 1.344 0.075 1.00 0.00 N ATOM 83 CA GLN P 5 0.844 1.156 -1.144 1.00 0.00 C ATOM 84 C GLN P 5 -0.621 1.117 -0.809 1.00 0.00 C ATOM 85 O GLN P 5 -1.063 0.225 -0.086 1.00 0.00 O ATOM 86 CB GLN P 5 1.233 -0.145 -1.812 1.00 0.00 C ATOM 87 CG GLN P 5 0.667 -0.248 -3.205 1.00 0.00 C ATOM 88 CD GLN P 5 0.981 -1.529 -3.883 1.00 0.00 C ATOM 89 OE1 GLN P 5 2.001 -2.168 -3.617 1.00 0.00 O ATOM 90 NE2 GLN P 5 0.150 -1.899 -4.792 1.00 0.00 N ATOM 0 HA GLN P 5 1.072 1.972 -1.829 1.00 0.00 H new ATOM 0 HB2 GLN P 5 2.319 -0.222 -1.854 1.00 0.00 H new ATOM 0 HB3 GLN P 5 0.877 -0.983 -1.212 1.00 0.00 H new ATOM 0 HG2 GLN P 5 -0.415 -0.128 -3.158 1.00 0.00 H new ATOM 0 HG3 GLN P 5 1.053 0.575 -3.806 1.00 0.00 H new ATOM 0 HE21 GLN P 5 -0.682 -1.340 -4.980 1.00 0.00 H new ATOM 0 HE22 GLN P 5 0.323 -2.751 -5.325 1.00 0.00 H new ATOM 99 N THR P 6 -1.363 2.077 -1.297 1.00 0.00 N ATOM 100 CA THR P 6 -2.782 2.150 -1.034 1.00 0.00 C ATOM 101 C THR P 6 -3.540 0.994 -1.714 1.00 0.00 C ATOM 102 O THR P 6 -4.546 0.504 -1.190 1.00 0.00 O ATOM 103 CB THR P 6 -3.313 3.520 -1.473 1.00 0.00 C ATOM 104 OG1 THR P 6 -2.597 4.531 -0.761 1.00 0.00 O ATOM 105 CG2 THR P 6 -4.803 3.671 -1.223 1.00 0.00 C ATOM 0 H THR P 6 -1.005 2.829 -1.886 1.00 0.00 H new ATOM 0 HA THR P 6 -2.951 2.041 0.037 1.00 0.00 H new ATOM 0 HB THR P 6 -3.161 3.618 -2.548 1.00 0.00 H new ATOM 0 HG1 THR P 6 -1.991 4.996 -1.375 1.00 0.00 H new ATOM 0 HG21 THR P 6 -5.129 4.658 -1.551 1.00 0.00 H new ATOM 0 HG22 THR P 6 -5.345 2.906 -1.780 1.00 0.00 H new ATOM 0 HG23 THR P 6 -5.007 3.557 -0.158 1.00 0.00 H new ATOM 301 N TYR A 857 1.329 18.514 -1.345 1.00 0.00 N ATOM 302 CA TYR A 857 0.757 17.871 -2.528 1.00 0.00 C ATOM 303 C TYR A 857 -0.358 16.887 -2.199 1.00 0.00 C ATOM 304 O TYR A 857 -0.844 16.172 -3.070 1.00 0.00 O ATOM 305 CB TYR A 857 1.822 17.168 -3.328 1.00 0.00 C ATOM 306 CG TYR A 857 2.635 18.067 -4.220 1.00 0.00 C ATOM 307 CD1 TYR A 857 2.207 18.349 -5.504 1.00 0.00 C ATOM 308 CD2 TYR A 857 3.827 18.618 -3.794 1.00 0.00 C ATOM 309 CE1 TYR A 857 2.943 19.152 -6.342 1.00 0.00 C ATOM 310 CE2 TYR A 857 4.571 19.431 -4.625 1.00 0.00 C ATOM 311 CZ TYR A 857 4.124 19.691 -5.896 1.00 0.00 C ATOM 312 OH TYR A 857 4.870 20.476 -6.732 1.00 0.00 O ATOM 0 HA TYR A 857 0.319 18.676 -3.118 1.00 0.00 H new ATOM 0 HB2 TYR A 857 2.495 16.656 -2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 857 1.349 16.401 -3.942 1.00 0.00 H new ATOM 0 HD1 TYR A 857 1.276 17.930 -5.855 1.00 0.00 H new ATOM 0 HD2 TYR A 857 4.183 18.410 -2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 857 2.595 19.357 -7.344 1.00 0.00 H new ATOM 0 HE2 TYR A 857 5.499 19.860 -4.277 1.00 0.00 H new ATOM 0 HH TYR A 857 5.675 20.780 -6.264 1.00 0.00 H new ATOM 322 N VAL A 858 -0.757 16.846 -0.978 1.00 0.00 N ATOM 323 CA VAL A 858 -1.823 15.963 -0.586 1.00 0.00 C ATOM 324 C VAL A 858 -3.170 16.661 -0.688 1.00 0.00 C ATOM 325 O VAL A 858 -3.323 17.819 -0.287 1.00 0.00 O ATOM 326 CB VAL A 858 -1.616 15.328 0.831 1.00 0.00 C ATOM 327 CG1 VAL A 858 -1.492 16.363 1.927 1.00 0.00 C ATOM 328 CG2 VAL A 858 -2.722 14.351 1.160 1.00 0.00 C ATOM 0 H VAL A 858 -0.367 17.411 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 858 -1.807 15.131 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 858 -0.669 14.791 0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -1.350 15.863 2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 858 -0.637 17.007 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -2.400 16.966 1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 858 -2.551 13.927 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 858 -3.681 14.869 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 858 -2.733 13.551 0.419 1.00 0.00 H new ATOM 338 N ILE A 859 -4.109 15.993 -1.294 1.00 0.00 N ATOM 339 CA ILE A 859 -5.447 16.491 -1.394 1.00 0.00 C ATOM 340 C ILE A 859 -6.340 15.536 -0.651 1.00 0.00 C ATOM 341 O ILE A 859 -5.925 14.414 -0.316 1.00 0.00 O ATOM 342 CB ILE A 859 -5.946 16.627 -2.866 1.00 0.00 C ATOM 343 CG1 ILE A 859 -5.994 15.256 -3.576 1.00 0.00 C ATOM 344 CG2 ILE A 859 -5.072 17.610 -3.633 1.00 0.00 C ATOM 345 CD1 ILE A 859 -6.576 15.299 -4.979 1.00 0.00 C ATOM 0 H ILE A 859 -3.966 15.084 -1.734 1.00 0.00 H new ATOM 0 HA ILE A 859 -5.471 17.494 -0.969 1.00 0.00 H new ATOM 0 HB ILE A 859 -6.964 17.015 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -4.983 14.851 -3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.584 14.567 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -5.433 17.694 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -5.115 18.587 -3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -4.042 17.253 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -6.573 14.296 -5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -7.599 15.672 -4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -5.974 15.960 -5.603 1.00 0.00 H new ATOM 357 N ARG A 860 -7.535 15.941 -0.382 1.00 0.00 N ATOM 358 CA ARG A 860 -8.437 15.074 0.298 1.00 0.00 C ATOM 359 C ARG A 860 -9.447 14.516 -0.674 1.00 0.00 C ATOM 360 O ARG A 860 -9.949 15.223 -1.557 1.00 0.00 O ATOM 361 CB ARG A 860 -9.133 15.776 1.464 1.00 0.00 C ATOM 362 CG ARG A 860 -10.004 16.938 1.048 1.00 0.00 C ATOM 363 CD ARG A 860 -10.575 17.650 2.237 1.00 0.00 C ATOM 364 NE ARG A 860 -11.448 18.740 1.822 1.00 0.00 N ATOM 365 CZ ARG A 860 -11.297 20.022 2.153 1.00 0.00 C ATOM 366 NH1 ARG A 860 -10.292 20.413 2.944 1.00 0.00 N ATOM 367 NH2 ARG A 860 -12.152 20.913 1.684 1.00 0.00 N ATOM 0 H ARG A 860 -7.908 16.860 -0.620 1.00 0.00 H new ATOM 0 HA ARG A 860 -7.859 14.252 0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -9.745 15.050 1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -8.377 16.133 2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -9.419 17.637 0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -10.815 16.578 0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -11.134 16.946 2.853 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -9.766 18.042 2.854 1.00 0.00 H new ATOM 0 HE ARG A 860 -12.242 18.502 1.228 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -9.628 19.726 3.302 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -10.189 21.398 3.189 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -12.916 20.616 1.077 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -12.048 21.898 1.929 1.00 0.00 H new ATOM 381 N ASP A 861 -9.679 13.263 -0.538 1.00 0.00 N ATOM 382 CA ASP A 861 -10.668 12.536 -1.285 1.00 0.00 C ATOM 383 C ASP A 861 -12.055 12.816 -0.698 1.00 0.00 C ATOM 384 O ASP A 861 -12.171 13.411 0.392 1.00 0.00 O ATOM 385 CB ASP A 861 -10.299 11.044 -1.232 1.00 0.00 C ATOM 386 CG ASP A 861 -11.399 10.100 -1.583 1.00 0.00 C ATOM 387 OD1 ASP A 861 -11.728 9.966 -2.774 1.00 0.00 O ATOM 388 OD2 ASP A 861 -11.991 9.544 -0.641 1.00 0.00 O ATOM 0 H ASP A 861 -9.168 12.679 0.124 1.00 0.00 H new ATOM 0 HA ASP A 861 -10.693 12.849 -2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -9.463 10.870 -1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -9.949 10.809 -0.227 1.00 0.00 H new ATOM 393 N GLU A 862 -13.078 12.378 -1.381 1.00 0.00 N ATOM 394 CA GLU A 862 -14.457 12.634 -0.998 1.00 0.00 C ATOM 395 C GLU A 862 -14.826 11.924 0.315 1.00 0.00 C ATOM 396 O GLU A 862 -15.682 12.398 1.072 1.00 0.00 O ATOM 397 CB GLU A 862 -15.408 12.236 -2.133 1.00 0.00 C ATOM 398 CG GLU A 862 -15.293 10.784 -2.564 1.00 0.00 C ATOM 399 CD GLU A 862 -16.239 10.437 -3.675 1.00 0.00 C ATOM 400 OE1 GLU A 862 -17.456 10.323 -3.427 1.00 0.00 O ATOM 401 OE2 GLU A 862 -15.791 10.262 -4.829 1.00 0.00 O ATOM 0 H GLU A 862 -12.985 11.825 -2.233 1.00 0.00 H new ATOM 0 HA GLU A 862 -14.562 13.704 -0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -16.433 12.429 -1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -15.214 12.875 -2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -14.271 10.584 -2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -15.490 10.138 -1.709 1.00 0.00 H new ATOM 408 N TRP A 863 -14.179 10.801 0.590 1.00 0.00 N ATOM 409 CA TRP A 863 -14.427 10.065 1.814 1.00 0.00 C ATOM 410 C TRP A 863 -13.415 10.443 2.876 1.00 0.00 C ATOM 411 O TRP A 863 -13.320 9.801 3.925 1.00 0.00 O ATOM 412 CB TRP A 863 -14.391 8.576 1.551 1.00 0.00 C ATOM 413 CG TRP A 863 -15.279 8.189 0.444 1.00 0.00 C ATOM 414 CD1 TRP A 863 -16.589 8.439 0.362 1.00 0.00 C ATOM 415 CD2 TRP A 863 -14.917 7.497 -0.737 1.00 0.00 C ATOM 416 NE1 TRP A 863 -17.097 7.941 -0.809 1.00 0.00 N ATOM 417 CE2 TRP A 863 -16.077 7.353 -1.505 1.00 0.00 C ATOM 418 CE3 TRP A 863 -13.721 6.987 -1.218 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -16.075 6.719 -2.729 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -13.714 6.353 -2.437 1.00 0.00 C ATOM 421 CH2 TRP A 863 -14.885 6.223 -3.181 1.00 0.00 C ATOM 0 H TRP A 863 -13.478 10.382 -0.021 1.00 0.00 H new ATOM 0 HA TRP A 863 -15.420 10.327 2.179 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -13.370 8.274 1.319 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -14.684 8.041 2.454 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -17.166 8.960 1.112 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -18.070 7.999 -1.110 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -12.811 7.086 -0.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -16.980 6.618 -3.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -12.789 5.950 -2.823 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -14.851 5.719 -4.136 1.00 0.00 H new ATOM 432 N GLY A 864 -12.649 11.470 2.586 1.00 0.00 N ATOM 433 CA GLY A 864 -11.717 12.017 3.549 1.00 0.00 C ATOM 434 C GLY A 864 -10.366 11.359 3.507 1.00 0.00 C ATOM 435 O GLY A 864 -9.548 11.547 4.412 1.00 0.00 O ATOM 0 H GLY A 864 -12.653 11.947 1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -11.599 13.085 3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -12.135 11.910 4.550 1.00 0.00 H new ATOM 439 N ASN A 865 -10.110 10.606 2.467 1.00 0.00 N ATOM 440 CA ASN A 865 -8.831 9.920 2.337 1.00 0.00 C ATOM 441 C ASN A 865 -7.797 10.893 1.847 1.00 0.00 C ATOM 442 O ASN A 865 -8.106 11.785 1.063 1.00 0.00 O ATOM 443 CB ASN A 865 -8.894 8.727 1.357 1.00 0.00 C ATOM 444 CG ASN A 865 -9.893 7.663 1.747 1.00 0.00 C ATOM 445 OD1 ASN A 865 -9.583 6.762 2.530 1.00 0.00 O ATOM 446 ND2 ASN A 865 -11.069 7.709 1.168 1.00 0.00 N ATOM 0 H ASN A 865 -10.760 10.447 1.697 1.00 0.00 H new ATOM 0 HA ASN A 865 -8.571 9.529 3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -9.144 9.099 0.364 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -7.905 8.274 1.288 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -11.761 6.985 1.360 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -11.292 8.469 0.525 1.00 0.00 H new ATOM 453 N GLN A 866 -6.601 10.766 2.314 1.00 0.00 N ATOM 454 CA GLN A 866 -5.547 11.616 1.850 1.00 0.00 C ATOM 455 C GLN A 866 -4.910 11.041 0.609 1.00 0.00 C ATOM 456 O GLN A 866 -4.440 9.891 0.606 1.00 0.00 O ATOM 457 CB GLN A 866 -4.511 11.864 2.921 1.00 0.00 C ATOM 458 CG GLN A 866 -4.965 12.778 4.036 1.00 0.00 C ATOM 459 CD GLN A 866 -3.838 13.085 4.986 1.00 0.00 C ATOM 460 OE1 GLN A 866 -3.626 12.387 5.965 1.00 0.00 O ATOM 461 NE2 GLN A 866 -3.102 14.122 4.708 1.00 0.00 N ATOM 0 H GLN A 866 -6.324 10.082 3.018 1.00 0.00 H new ATOM 0 HA GLN A 866 -5.989 12.580 1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -4.216 10.907 3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -3.623 12.292 2.457 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -5.350 13.706 3.614 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -5.785 12.311 4.581 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -3.305 14.685 3.882 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -2.322 14.372 5.316 1.00 0.00 H new ATOM 470 N ILE A 867 -4.925 11.817 -0.444 1.00 0.00 N ATOM 471 CA ILE A 867 -4.377 11.413 -1.709 1.00 0.00 C ATOM 472 C ILE A 867 -3.198 12.313 -2.032 1.00 0.00 C ATOM 473 O ILE A 867 -3.365 13.511 -2.212 1.00 0.00 O ATOM 474 CB ILE A 867 -5.438 11.537 -2.846 1.00 0.00 C ATOM 475 CG1 ILE A 867 -6.728 10.770 -2.500 1.00 0.00 C ATOM 476 CG2 ILE A 867 -4.873 11.045 -4.168 1.00 0.00 C ATOM 477 CD1 ILE A 867 -6.530 9.286 -2.262 1.00 0.00 C ATOM 0 H ILE A 867 -5.323 12.756 -0.445 1.00 0.00 H new ATOM 0 HA ILE A 867 -4.066 10.371 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.689 12.593 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -7.171 11.213 -1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -7.444 10.903 -3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.631 11.141 -4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -4.001 11.641 -4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.582 9.999 -4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -7.489 8.825 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -6.118 8.825 -3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -5.841 9.140 -1.430 1.00 0.00 H new ATOM 489 N TRP A 868 -2.024 11.749 -2.073 1.00 0.00 N ATOM 490 CA TRP A 868 -0.825 12.517 -2.356 1.00 0.00 C ATOM 491 C TRP A 868 -0.535 12.566 -3.833 1.00 0.00 C ATOM 492 O TRP A 868 -0.638 11.556 -4.522 1.00 0.00 O ATOM 493 CB TRP A 868 0.387 11.956 -1.613 1.00 0.00 C ATOM 494 CG TRP A 868 0.456 12.312 -0.161 1.00 0.00 C ATOM 495 CD1 TRP A 868 1.170 13.335 0.381 1.00 0.00 C ATOM 496 CD2 TRP A 868 -0.195 11.658 0.939 1.00 0.00 C ATOM 497 NE1 TRP A 868 1.010 13.353 1.741 1.00 0.00 N ATOM 498 CE2 TRP A 868 0.183 12.342 2.111 1.00 0.00 C ATOM 499 CE3 TRP A 868 -1.057 10.571 1.052 1.00 0.00 C ATOM 500 CZ2 TRP A 868 -0.263 11.970 3.372 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -1.503 10.203 2.308 1.00 0.00 C ATOM 502 CH2 TRP A 868 -1.105 10.903 3.451 1.00 0.00 C ATOM 0 H TRP A 868 -1.862 10.755 -1.914 1.00 0.00 H new ATOM 0 HA TRP A 868 -1.013 13.531 -2.004 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.381 10.870 -1.706 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.293 12.313 -2.103 1.00 0.00 H new ATOM 0 HD1 TRP A 868 1.775 14.032 -0.180 1.00 0.00 H new ATOM 0 HE1 TRP A 868 1.444 14.022 2.377 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -1.372 10.025 0.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 0.046 12.507 4.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -2.171 9.360 2.408 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -1.473 10.591 4.417 1.00 0.00 H new ATOM 513 N ILE A 869 -0.246 13.740 -4.316 1.00 0.00 N ATOM 514 CA ILE A 869 0.187 13.934 -5.674 1.00 0.00 C ATOM 515 C ILE A 869 1.693 13.858 -5.715 1.00 0.00 C ATOM 516 O ILE A 869 2.369 14.528 -4.950 1.00 0.00 O ATOM 517 CB ILE A 869 -0.341 15.291 -6.310 1.00 0.00 C ATOM 518 CG1 ILE A 869 -1.836 15.210 -6.706 1.00 0.00 C ATOM 519 CG2 ILE A 869 0.482 15.712 -7.525 1.00 0.00 C ATOM 520 CD1 ILE A 869 -2.814 15.011 -5.571 1.00 0.00 C ATOM 0 H ILE A 869 -0.304 14.601 -3.773 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.245 13.142 -6.286 1.00 0.00 H new ATOM 0 HB ILE A 869 -0.229 16.045 -5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -2.102 16.127 -7.231 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -1.960 14.390 -7.413 1.00 0.00 H new ATOM 0 HG21 ILE A 869 0.086 16.644 -7.928 1.00 0.00 H new ATOM 0 HG22 ILE A 869 1.521 15.857 -7.228 1.00 0.00 H new ATOM 0 HG23 ILE A 869 0.428 14.935 -8.288 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -3.828 14.969 -5.968 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.588 14.078 -5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.732 15.842 -4.870 1.00 0.00 H new ATOM 532 N CYS A 870 2.192 13.004 -6.564 1.00 0.00 N ATOM 533 CA CYS A 870 3.592 12.825 -6.734 1.00 0.00 C ATOM 534 C CYS A 870 4.136 13.991 -7.549 1.00 0.00 C ATOM 535 O CYS A 870 3.692 14.212 -8.682 1.00 0.00 O ATOM 536 CB CYS A 870 3.818 11.500 -7.475 1.00 0.00 C ATOM 537 SG CYS A 870 5.529 11.057 -7.894 1.00 0.00 S ATOM 0 H CYS A 870 1.622 12.407 -7.163 1.00 0.00 H new ATOM 0 HA CYS A 870 4.106 12.795 -5.773 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.402 10.698 -6.865 1.00 0.00 H new ATOM 0 HB3 CYS A 870 3.242 11.529 -8.400 1.00 0.00 H new ATOM 0 HG CYS A 870 5.527 10.168 -8.843 1.00 0.00 H new ATOM 542 N PRO A 871 5.110 14.744 -7.015 1.00 0.00 N ATOM 543 CA PRO A 871 5.706 15.871 -7.727 1.00 0.00 C ATOM 544 C PRO A 871 6.605 15.401 -8.891 1.00 0.00 C ATOM 545 O PRO A 871 7.261 16.206 -9.565 1.00 0.00 O ATOM 546 CB PRO A 871 6.542 16.608 -6.665 1.00 0.00 C ATOM 547 CG PRO A 871 6.330 15.883 -5.368 1.00 0.00 C ATOM 548 CD PRO A 871 5.689 14.563 -5.672 1.00 0.00 C ATOM 0 HA PRO A 871 4.943 16.506 -8.177 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.597 16.612 -6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.230 17.649 -6.582 1.00 0.00 H new ATOM 0 HG2 PRO A 871 7.280 15.735 -4.855 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.696 16.470 -4.703 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.419 13.753 -5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 871 4.923 14.314 -4.938 1.00 0.00 H new ATOM 556 N GLY A 872 6.656 14.097 -9.095 1.00 0.00 N ATOM 557 CA GLY A 872 7.411 13.548 -10.177 1.00 0.00 C ATOM 558 C GLY A 872 6.608 13.505 -11.461 1.00 0.00 C ATOM 559 O GLY A 872 7.140 13.756 -12.538 1.00 0.00 O ATOM 0 H GLY A 872 6.177 13.407 -8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 872 8.311 14.144 -10.331 1.00 0.00 H new ATOM 0 HA3 GLY A 872 7.736 12.540 -9.918 1.00 0.00 H new ATOM 563 N CYS A 873 5.325 13.209 -11.350 1.00 0.00 N ATOM 564 CA CYS A 873 4.473 13.068 -12.513 1.00 0.00 C ATOM 565 C CYS A 873 3.274 14.023 -12.472 1.00 0.00 C ATOM 566 O CYS A 873 2.566 14.179 -13.475 1.00 0.00 O ATOM 567 CB CYS A 873 3.983 11.641 -12.515 1.00 0.00 C ATOM 568 SG CYS A 873 3.322 11.157 -10.903 1.00 0.00 S ATOM 0 H CYS A 873 4.850 13.061 -10.460 1.00 0.00 H new ATOM 0 HA CYS A 873 5.037 13.313 -13.413 1.00 0.00 H new ATOM 0 HB2 CYS A 873 3.211 11.523 -13.275 1.00 0.00 H new ATOM 0 HB3 CYS A 873 4.802 10.976 -12.787 1.00 0.00 H new ATOM 0 HG CYS A 873 4.287 11.114 -10.033 1.00 0.00 H new ATOM 573 N ASN A 874 3.034 14.612 -11.289 1.00 0.00 N ATOM 574 CA ASN A 874 1.887 15.508 -11.017 1.00 0.00 C ATOM 575 C ASN A 874 0.605 14.646 -11.011 1.00 0.00 C ATOM 576 O ASN A 874 -0.511 15.107 -11.257 1.00 0.00 O ATOM 577 CB ASN A 874 1.815 16.669 -12.060 1.00 0.00 C ATOM 578 CG ASN A 874 0.922 17.862 -11.665 1.00 0.00 C ATOM 579 OD1 ASN A 874 -0.065 17.745 -10.931 1.00 0.00 O ATOM 580 ND2 ASN A 874 1.256 19.013 -12.171 1.00 0.00 N ATOM 0 H ASN A 874 3.639 14.480 -10.478 1.00 0.00 H new ATOM 0 HA ASN A 874 2.003 15.989 -10.046 1.00 0.00 H new ATOM 0 HB2 ASN A 874 2.825 17.037 -12.238 1.00 0.00 H new ATOM 0 HB3 ASN A 874 1.453 16.263 -13.005 1.00 0.00 H new ATOM 0 HD21 ASN A 874 0.699 19.842 -11.964 1.00 0.00 H new ATOM 0 HD22 ASN A 874 2.075 19.086 -12.775 1.00 0.00 H new ATOM 587 N LYS A 875 0.779 13.378 -10.711 1.00 0.00 N ATOM 588 CA LYS A 875 -0.326 12.465 -10.635 1.00 0.00 C ATOM 589 C LYS A 875 -0.531 12.014 -9.200 1.00 0.00 C ATOM 590 O LYS A 875 0.442 11.787 -8.463 1.00 0.00 O ATOM 591 CB LYS A 875 -0.104 11.258 -11.552 1.00 0.00 C ATOM 592 CG LYS A 875 0.061 11.634 -13.011 1.00 0.00 C ATOM 593 CD LYS A 875 0.309 10.417 -13.876 1.00 0.00 C ATOM 594 CE LYS A 875 0.554 10.819 -15.315 1.00 0.00 C ATOM 595 NZ LYS A 875 0.688 9.648 -16.208 1.00 0.00 N ATOM 0 H LYS A 875 1.688 12.958 -10.515 1.00 0.00 H new ATOM 0 HA LYS A 875 -1.224 12.982 -10.973 1.00 0.00 H new ATOM 0 HB2 LYS A 875 0.783 10.718 -11.221 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.948 10.576 -11.453 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -0.834 12.151 -13.357 1.00 0.00 H new ATOM 0 HG3 LYS A 875 0.892 12.331 -13.116 1.00 0.00 H new ATOM 0 HD2 LYS A 875 1.169 9.865 -13.497 1.00 0.00 H new ATOM 0 HD3 LYS A 875 -0.549 9.747 -13.822 1.00 0.00 H new ATOM 0 HE2 LYS A 875 -0.269 11.445 -15.661 1.00 0.00 H new ATOM 0 HE3 LYS A 875 1.460 11.423 -15.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 0.855 9.972 -17.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 1.489 9.063 -15.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 -0.185 9.084 -16.175 1.00 0.00 H new ATOM 609 N PRO A 876 -1.790 11.922 -8.771 1.00 0.00 N ATOM 610 CA PRO A 876 -2.136 11.479 -7.430 1.00 0.00 C ATOM 611 C PRO A 876 -1.933 9.984 -7.229 1.00 0.00 C ATOM 612 O PRO A 876 -1.651 9.231 -8.187 1.00 0.00 O ATOM 613 CB PRO A 876 -3.618 11.827 -7.312 1.00 0.00 C ATOM 614 CG PRO A 876 -4.126 11.815 -8.699 1.00 0.00 C ATOM 615 CD PRO A 876 -2.988 12.269 -9.562 1.00 0.00 C ATOM 0 HA PRO A 876 -1.504 11.953 -6.679 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.145 11.102 -6.692 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -3.758 12.804 -6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.457 10.816 -8.984 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -4.985 12.478 -8.805 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -2.991 11.763 -10.528 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -3.039 13.339 -9.763 1.00 0.00 H new ATOM 623 N ASP A 877 -2.057 9.562 -5.992 1.00 0.00 N ATOM 624 CA ASP A 877 -1.956 8.169 -5.647 1.00 0.00 C ATOM 625 C ASP A 877 -3.179 7.448 -6.124 1.00 0.00 C ATOM 626 O ASP A 877 -4.309 7.771 -5.753 1.00 0.00 O ATOM 627 CB ASP A 877 -1.754 7.961 -4.148 1.00 0.00 C ATOM 628 CG ASP A 877 -1.674 6.486 -3.761 1.00 0.00 C ATOM 629 OD1 ASP A 877 -1.330 5.630 -4.630 1.00 0.00 O ATOM 630 OD2 ASP A 877 -1.966 6.165 -2.606 1.00 0.00 O ATOM 0 H ASP A 877 -2.231 10.178 -5.198 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.075 7.760 -6.141 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.839 8.464 -3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -2.576 8.430 -3.607 1.00 0.00 H new ATOM 635 N ASP A 878 -2.932 6.504 -6.952 1.00 0.00 N ATOM 636 CA ASP A 878 -3.954 5.721 -7.626 1.00 0.00 C ATOM 637 C ASP A 878 -4.217 4.423 -6.880 1.00 0.00 C ATOM 638 O ASP A 878 -5.208 3.717 -7.118 1.00 0.00 O ATOM 639 CB ASP A 878 -3.430 5.423 -9.034 1.00 0.00 C ATOM 640 CG ASP A 878 -4.299 4.507 -9.847 1.00 0.00 C ATOM 641 OD1 ASP A 878 -5.286 4.981 -10.450 1.00 0.00 O ATOM 642 OD2 ASP A 878 -3.969 3.304 -9.961 1.00 0.00 O ATOM 0 H ASP A 878 -1.983 6.227 -7.204 1.00 0.00 H new ATOM 0 HA ASP A 878 -4.895 6.271 -7.664 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.316 6.365 -9.571 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -2.437 4.981 -8.951 1.00 0.00 H new ATOM 647 N GLY A 879 -3.380 4.163 -5.932 1.00 0.00 N ATOM 648 CA GLY A 879 -3.372 2.901 -5.276 1.00 0.00 C ATOM 649 C GLY A 879 -2.030 2.288 -5.520 1.00 0.00 C ATOM 650 O GLY A 879 -1.871 1.071 -5.618 1.00 0.00 O ATOM 0 H GLY A 879 -2.681 4.822 -5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -3.552 3.021 -4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -4.164 2.260 -5.663 1.00 0.00 H new ATOM 654 N SER A 880 -1.074 3.133 -5.557 1.00 0.00 N ATOM 655 CA SER A 880 0.242 2.812 -5.952 1.00 0.00 C ATOM 656 C SER A 880 1.203 2.856 -4.760 1.00 0.00 C ATOM 657 O SER A 880 0.840 3.359 -3.684 1.00 0.00 O ATOM 658 CB SER A 880 0.634 3.804 -7.052 1.00 0.00 C ATOM 659 OG SER A 880 0.206 5.137 -6.722 1.00 0.00 O ATOM 0 H SER A 880 -1.192 4.113 -5.301 1.00 0.00 H new ATOM 0 HA SER A 880 0.298 1.793 -6.336 1.00 0.00 H new ATOM 0 HB2 SER A 880 1.715 3.790 -7.191 1.00 0.00 H new ATOM 0 HB3 SER A 880 0.187 3.499 -7.998 1.00 0.00 H new ATOM 0 HG SER A 880 0.007 5.189 -5.764 1.00 0.00 H new ATOM 665 N PRO A 881 2.398 2.253 -4.885 1.00 0.00 N ATOM 666 CA PRO A 881 3.405 2.331 -3.859 1.00 0.00 C ATOM 667 C PRO A 881 4.124 3.671 -3.918 1.00 0.00 C ATOM 668 O PRO A 881 4.552 4.132 -4.999 1.00 0.00 O ATOM 669 CB PRO A 881 4.363 1.173 -4.180 1.00 0.00 C ATOM 670 CG PRO A 881 3.738 0.432 -5.311 1.00 0.00 C ATOM 671 CD PRO A 881 2.851 1.418 -6.003 1.00 0.00 C ATOM 0 HA PRO A 881 2.990 2.255 -2.854 1.00 0.00 H new ATOM 0 HB2 PRO A 881 5.350 1.546 -4.455 1.00 0.00 H new ATOM 0 HB3 PRO A 881 4.497 0.525 -3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 881 4.496 0.044 -5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 881 3.166 -0.423 -4.950 1.00 0.00 H new ATOM 0 HD2 PRO A 881 3.390 1.997 -6.753 1.00 0.00 H new ATOM 0 HD3 PRO A 881 2.019 0.932 -6.513 1.00 0.00 H new ATOM 679 N MET A 882 4.228 4.303 -2.789 1.00 0.00 N ATOM 680 CA MET A 882 4.837 5.603 -2.703 1.00 0.00 C ATOM 681 C MET A 882 5.937 5.550 -1.676 1.00 0.00 C ATOM 682 O MET A 882 5.907 4.690 -0.768 1.00 0.00 O ATOM 683 CB MET A 882 3.808 6.669 -2.291 1.00 0.00 C ATOM 684 CG MET A 882 2.503 6.622 -3.069 1.00 0.00 C ATOM 685 SD MET A 882 1.406 7.998 -2.694 1.00 0.00 S ATOM 686 CE MET A 882 2.198 9.300 -3.628 1.00 0.00 C ATOM 0 H MET A 882 3.894 3.935 -1.898 1.00 0.00 H new ATOM 0 HA MET A 882 5.235 5.873 -3.681 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.588 6.552 -1.230 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.255 7.655 -2.417 1.00 0.00 H new ATOM 0 HG2 MET A 882 2.723 6.622 -4.136 1.00 0.00 H new ATOM 0 HG3 MET A 882 1.990 5.686 -2.849 1.00 0.00 H new ATOM 0 HE1 MET A 882 2.370 10.159 -2.980 1.00 0.00 H new ATOM 0 HE2 MET A 882 3.151 8.941 -4.016 1.00 0.00 H new ATOM 0 HE3 MET A 882 1.556 9.595 -4.458 1.00 0.00 H new ATOM 696 N ILE A 883 6.890 6.427 -1.803 1.00 0.00 N ATOM 697 CA ILE A 883 7.984 6.505 -0.877 1.00 0.00 C ATOM 698 C ILE A 883 8.089 7.939 -0.369 1.00 0.00 C ATOM 699 O ILE A 883 7.843 8.896 -1.122 1.00 0.00 O ATOM 700 CB ILE A 883 9.325 6.018 -1.518 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.432 5.910 -0.465 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.765 6.951 -2.653 1.00 0.00 C ATOM 703 CD1 ILE A 883 11.665 5.191 -0.966 1.00 0.00 C ATOM 0 H ILE A 883 6.931 7.113 -2.557 1.00 0.00 H new ATOM 0 HA ILE A 883 7.793 5.837 -0.037 1.00 0.00 H new ATOM 0 HB ILE A 883 9.147 5.027 -1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 883 10.712 6.911 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.044 5.386 0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.700 6.588 -3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 883 8.997 6.971 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 883 9.912 7.957 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.410 5.149 -0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.398 4.178 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.077 5.727 -1.821 1.00 0.00 H new ATOM 715 N GLY A 884 8.346 8.080 0.902 1.00 0.00 N ATOM 716 CA GLY A 884 8.444 9.380 1.493 1.00 0.00 C ATOM 717 C GLY A 884 9.864 9.768 1.768 1.00 0.00 C ATOM 718 O GLY A 884 10.623 8.986 2.373 1.00 0.00 O ATOM 0 H GLY A 884 8.492 7.305 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 884 7.990 10.115 0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 884 7.877 9.398 2.424 1.00 0.00 H new ATOM 722 N CYS A 885 10.234 10.942 1.307 1.00 0.00 N ATOM 723 CA CYS A 885 11.542 11.487 1.532 1.00 0.00 C ATOM 724 C CYS A 885 11.709 11.821 2.995 1.00 0.00 C ATOM 725 O CYS A 885 10.820 12.405 3.619 1.00 0.00 O ATOM 726 CB CYS A 885 11.759 12.726 0.645 1.00 0.00 C ATOM 727 SG CYS A 885 13.351 13.611 0.890 1.00 0.00 S ATOM 0 H CYS A 885 9.623 11.548 0.759 1.00 0.00 H new ATOM 0 HA CYS A 885 12.297 10.748 1.262 1.00 0.00 H new ATOM 0 HB2 CYS A 885 11.692 12.419 -0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 885 10.943 13.426 0.825 1.00 0.00 H new ATOM 0 HG CYS A 885 13.564 14.407 -0.115 1.00 0.00 H new ATOM 732 N ASP A 886 12.837 11.457 3.529 1.00 0.00 N ATOM 733 CA ASP A 886 13.124 11.656 4.924 1.00 0.00 C ATOM 734 C ASP A 886 13.583 13.062 5.223 1.00 0.00 C ATOM 735 O ASP A 886 13.621 13.469 6.389 1.00 0.00 O ATOM 736 CB ASP A 886 14.160 10.643 5.415 1.00 0.00 C ATOM 737 CG ASP A 886 13.593 9.258 5.572 1.00 0.00 C ATOM 738 OD1 ASP A 886 12.786 9.035 6.501 1.00 0.00 O ATOM 739 OD2 ASP A 886 13.910 8.369 4.756 1.00 0.00 O ATOM 0 H ASP A 886 13.591 11.010 3.008 1.00 0.00 H new ATOM 0 HA ASP A 886 12.190 11.499 5.463 1.00 0.00 H new ATOM 0 HB2 ASP A 886 14.993 10.612 4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 886 14.562 10.976 6.372 1.00 0.00 H new ATOM 744 N ASP A 887 13.915 13.817 4.201 1.00 0.00 N ATOM 745 CA ASP A 887 14.434 15.161 4.426 1.00 0.00 C ATOM 746 C ASP A 887 13.283 16.165 4.434 1.00 0.00 C ATOM 747 O ASP A 887 13.051 16.856 5.432 1.00 0.00 O ATOM 748 CB ASP A 887 15.466 15.535 3.352 1.00 0.00 C ATOM 749 CG ASP A 887 16.372 16.697 3.723 1.00 0.00 C ATOM 750 OD1 ASP A 887 15.893 17.812 3.996 1.00 0.00 O ATOM 751 OD2 ASP A 887 17.620 16.511 3.718 1.00 0.00 O ATOM 0 H ASP A 887 13.840 13.538 3.223 1.00 0.00 H new ATOM 0 HA ASP A 887 14.933 15.185 5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 887 16.084 14.662 3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.939 15.782 2.431 1.00 0.00 H new ATOM 756 N CYS A 888 12.524 16.207 3.351 1.00 0.00 N ATOM 757 CA CYS A 888 11.437 17.177 3.249 1.00 0.00 C ATOM 758 C CYS A 888 10.099 16.629 3.741 1.00 0.00 C ATOM 759 O CYS A 888 9.223 17.401 4.138 1.00 0.00 O ATOM 760 CB CYS A 888 11.301 17.706 1.811 1.00 0.00 C ATOM 761 SG CYS A 888 11.052 16.453 0.529 1.00 0.00 S ATOM 0 H CYS A 888 12.634 15.595 2.542 1.00 0.00 H new ATOM 0 HA CYS A 888 11.705 18.002 3.909 1.00 0.00 H new ATOM 0 HB2 CYS A 888 10.464 18.403 1.778 1.00 0.00 H new ATOM 0 HB3 CYS A 888 12.198 18.274 1.567 1.00 0.00 H new ATOM 0 HG CYS A 888 11.892 15.477 0.707 1.00 0.00 H new ATOM 766 N ASP A 889 9.981 15.307 3.754 1.00 0.00 N ATOM 767 CA ASP A 889 8.722 14.597 4.046 1.00 0.00 C ATOM 768 C ASP A 889 7.726 14.885 2.930 1.00 0.00 C ATOM 769 O ASP A 889 6.773 15.680 3.059 1.00 0.00 O ATOM 770 CB ASP A 889 8.153 14.887 5.452 1.00 0.00 C ATOM 771 CG ASP A 889 6.935 14.049 5.801 1.00 0.00 C ATOM 772 OD1 ASP A 889 7.103 12.883 6.236 1.00 0.00 O ATOM 773 OD2 ASP A 889 5.798 14.544 5.699 1.00 0.00 O ATOM 0 H ASP A 889 10.763 14.681 3.561 1.00 0.00 H new ATOM 0 HA ASP A 889 8.932 13.528 4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 889 8.931 14.708 6.194 1.00 0.00 H new ATOM 0 HB3 ASP A 889 7.888 15.942 5.517 1.00 0.00 H new ATOM 778 N ASP A 890 8.057 14.333 1.795 1.00 0.00 N ATOM 779 CA ASP A 890 7.311 14.488 0.561 1.00 0.00 C ATOM 780 C ASP A 890 7.149 13.119 -0.055 1.00 0.00 C ATOM 781 O ASP A 890 7.999 12.243 0.169 1.00 0.00 O ATOM 782 CB ASP A 890 8.098 15.420 -0.355 1.00 0.00 C ATOM 783 CG ASP A 890 7.476 15.716 -1.676 1.00 0.00 C ATOM 784 OD1 ASP A 890 6.243 15.758 -1.773 1.00 0.00 O ATOM 785 OD2 ASP A 890 8.249 15.977 -2.642 1.00 0.00 O ATOM 0 H ASP A 890 8.881 13.741 1.693 1.00 0.00 H new ATOM 0 HA ASP A 890 6.324 14.919 0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 890 8.257 16.363 0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 890 9.081 14.982 -0.529 1.00 0.00 H new ATOM 790 N TRP A 891 6.109 12.926 -0.823 1.00 0.00 N ATOM 791 CA TRP A 891 5.759 11.600 -1.315 1.00 0.00 C ATOM 792 C TRP A 891 5.813 11.492 -2.817 1.00 0.00 C ATOM 793 O TRP A 891 5.096 12.178 -3.527 1.00 0.00 O ATOM 794 CB TRP A 891 4.367 11.163 -0.820 1.00 0.00 C ATOM 795 CG TRP A 891 4.289 10.879 0.649 1.00 0.00 C ATOM 796 CD1 TRP A 891 3.936 11.739 1.639 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.569 9.638 1.283 1.00 0.00 C ATOM 798 NE1 TRP A 891 3.980 11.107 2.856 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.373 9.815 2.664 1.00 0.00 C ATOM 800 CE3 TRP A 891 4.970 8.394 0.816 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.563 8.789 3.576 1.00 0.00 C ATOM 802 CZ3 TRP A 891 5.164 7.377 1.717 1.00 0.00 C ATOM 803 CH2 TRP A 891 4.960 7.579 3.085 1.00 0.00 C ATOM 0 H TRP A 891 5.480 13.669 -1.128 1.00 0.00 H new ATOM 0 HA TRP A 891 6.516 10.930 -0.907 1.00 0.00 H new ATOM 0 HB2 TRP A 891 3.647 11.944 -1.065 1.00 0.00 H new ATOM 0 HB3 TRP A 891 4.066 10.269 -1.366 1.00 0.00 H new ATOM 0 HD1 TRP A 891 3.660 12.772 1.490 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.756 11.533 3.755 1.00 0.00 H new ATOM 0 HE3 TRP A 891 5.127 8.229 -0.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.403 8.941 4.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 5.479 6.406 1.364 1.00 0.00 H new ATOM 0 HH2 TRP A 891 5.120 6.759 3.769 1.00 0.00 H new ATOM 814 N TYR A 892 6.649 10.610 -3.285 1.00 0.00 N ATOM 815 CA TYR A 892 6.758 10.311 -4.693 1.00 0.00 C ATOM 816 C TYR A 892 6.348 8.890 -4.934 1.00 0.00 C ATOM 817 O TYR A 892 6.354 8.065 -4.010 1.00 0.00 O ATOM 818 CB TYR A 892 8.193 10.467 -5.188 1.00 0.00 C ATOM 819 CG TYR A 892 8.666 11.875 -5.419 1.00 0.00 C ATOM 820 CD1 TYR A 892 8.969 12.710 -4.373 1.00 0.00 C ATOM 821 CD2 TYR A 892 8.831 12.354 -6.711 1.00 0.00 C ATOM 822 CE1 TYR A 892 9.415 13.984 -4.598 1.00 0.00 C ATOM 823 CE2 TYR A 892 9.286 13.627 -6.947 1.00 0.00 C ATOM 824 CZ TYR A 892 9.575 14.440 -5.889 1.00 0.00 C ATOM 825 OH TYR A 892 10.022 15.722 -6.115 1.00 0.00 O ATOM 0 H TYR A 892 7.283 10.070 -2.697 1.00 0.00 H new ATOM 0 HA TYR A 892 6.113 11.008 -5.228 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.858 9.997 -4.464 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.295 9.914 -6.121 1.00 0.00 H new ATOM 0 HD1 TYR A 892 8.854 12.357 -3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.597 11.712 -7.547 1.00 0.00 H new ATOM 0 HE1 TYR A 892 9.642 14.632 -3.764 1.00 0.00 H new ATOM 0 HE2 TYR A 892 9.414 13.982 -7.959 1.00 0.00 H new ATOM 0 HH TYR A 892 10.080 15.883 -7.080 1.00 0.00 H new ATOM 835 N HIS A 893 5.989 8.593 -6.147 1.00 0.00 N ATOM 836 CA HIS A 893 5.709 7.220 -6.528 1.00 0.00 C ATOM 837 C HIS A 893 7.014 6.521 -6.804 1.00 0.00 C ATOM 838 O HIS A 893 8.021 7.170 -7.098 1.00 0.00 O ATOM 839 CB HIS A 893 4.840 7.113 -7.786 1.00 0.00 C ATOM 840 CG HIS A 893 3.457 7.626 -7.664 1.00 0.00 C ATOM 841 ND1 HIS A 893 2.984 8.602 -8.505 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.473 7.225 -6.848 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.699 8.767 -8.167 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.359 7.950 -7.172 1.00 0.00 N ATOM 0 H HIS A 893 5.880 9.275 -6.898 1.00 0.00 H new ATOM 0 HA HIS A 893 5.162 6.763 -5.704 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.336 7.651 -8.593 1.00 0.00 H new ATOM 0 HB3 HIS A 893 4.793 6.065 -8.083 1.00 0.00 H new ATOM 0 HD1 HIS A 893 3.501 9.096 -9.232 1.00 0.00 H new ATOM 0 HD2 HIS A 893 2.546 6.471 -6.079 1.00 0.00 H new ATOM 0 HE1 HIS A 893 1.028 9.469 -8.639 1.00 0.00 H new ATOM 852 N TRP A 894 6.990 5.220 -6.749 1.00 0.00 N ATOM 853 CA TRP A 894 8.170 4.421 -6.998 1.00 0.00 C ATOM 854 C TRP A 894 8.741 4.619 -8.413 1.00 0.00 C ATOM 855 O TRP A 894 9.900 5.029 -8.541 1.00 0.00 O ATOM 856 CB TRP A 894 7.934 2.940 -6.693 1.00 0.00 C ATOM 857 CG TRP A 894 7.847 2.607 -5.242 1.00 0.00 C ATOM 858 CD1 TRP A 894 7.819 3.472 -4.185 1.00 0.00 C ATOM 859 CD2 TRP A 894 7.798 1.300 -4.690 1.00 0.00 C ATOM 860 NE1 TRP A 894 7.751 2.773 -3.011 1.00 0.00 N ATOM 861 CE2 TRP A 894 7.731 1.436 -3.294 1.00 0.00 C ATOM 862 CE3 TRP A 894 7.798 0.025 -5.246 1.00 0.00 C ATOM 863 CZ2 TRP A 894 7.663 0.338 -2.450 1.00 0.00 C ATOM 864 CZ3 TRP A 894 7.733 -1.063 -4.412 1.00 0.00 C ATOM 865 CH2 TRP A 894 7.664 -0.906 -3.027 1.00 0.00 C ATOM 0 H TRP A 894 6.155 4.677 -6.531 1.00 0.00 H new ATOM 0 HA TRP A 894 8.928 4.784 -6.304 1.00 0.00 H new ATOM 0 HB2 TRP A 894 7.011 2.626 -7.180 1.00 0.00 H new ATOM 0 HB3 TRP A 894 8.742 2.359 -7.137 1.00 0.00 H new ATOM 0 HD1 TRP A 894 7.846 4.549 -4.264 1.00 0.00 H new ATOM 0 HE1 TRP A 894 7.720 3.183 -2.077 1.00 0.00 H new ATOM 0 HE3 TRP A 894 7.848 -0.107 -6.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 7.611 0.458 -1.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 7.735 -2.057 -4.834 1.00 0.00 H new ATOM 0 HH2 TRP A 894 7.610 -1.782 -2.397 1.00 0.00 H new ATOM 876 N PRO A 895 7.947 4.394 -9.508 1.00 0.00 N ATOM 877 CA PRO A 895 8.458 4.530 -10.885 1.00 0.00 C ATOM 878 C PRO A 895 8.896 5.956 -11.225 1.00 0.00 C ATOM 879 O PRO A 895 9.692 6.179 -12.137 1.00 0.00 O ATOM 880 CB PRO A 895 7.266 4.123 -11.757 1.00 0.00 C ATOM 881 CG PRO A 895 6.075 4.333 -10.893 1.00 0.00 C ATOM 882 CD PRO A 895 6.523 3.966 -9.517 1.00 0.00 C ATOM 0 HA PRO A 895 9.349 3.920 -11.036 1.00 0.00 H new ATOM 0 HB2 PRO A 895 7.211 4.730 -12.661 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.345 3.084 -12.076 1.00 0.00 H new ATOM 0 HG2 PRO A 895 5.736 5.368 -10.934 1.00 0.00 H new ATOM 0 HG3 PRO A 895 5.240 3.711 -11.215 1.00 0.00 H new ATOM 0 HD2 PRO A 895 5.941 4.480 -8.752 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.421 2.897 -9.330 1.00 0.00 H new ATOM 890 N CYS A 896 8.402 6.894 -10.472 1.00 0.00 N ATOM 891 CA CYS A 896 8.675 8.271 -10.692 1.00 0.00 C ATOM 892 C CYS A 896 10.069 8.671 -10.163 1.00 0.00 C ATOM 893 O CYS A 896 10.703 9.608 -10.674 1.00 0.00 O ATOM 894 CB CYS A 896 7.555 9.055 -10.045 1.00 0.00 C ATOM 895 SG CYS A 896 5.916 8.498 -10.622 1.00 0.00 S ATOM 0 H CYS A 896 7.789 6.714 -9.677 1.00 0.00 H new ATOM 0 HA CYS A 896 8.709 8.492 -11.759 1.00 0.00 H new ATOM 0 HB2 CYS A 896 7.615 8.948 -8.962 1.00 0.00 H new ATOM 0 HB3 CYS A 896 7.678 10.115 -10.267 1.00 0.00 H new ATOM 0 HG CYS A 896 5.124 9.523 -10.735 1.00 0.00 H new ATOM 900 N VAL A 897 10.546 7.970 -9.159 1.00 0.00 N ATOM 901 CA VAL A 897 11.875 8.244 -8.630 1.00 0.00 C ATOM 902 C VAL A 897 12.868 7.158 -8.974 1.00 0.00 C ATOM 903 O VAL A 897 14.075 7.345 -8.838 1.00 0.00 O ATOM 904 CB VAL A 897 11.886 8.515 -7.117 1.00 0.00 C ATOM 905 CG1 VAL A 897 11.229 9.840 -6.833 1.00 0.00 C ATOM 906 CG2 VAL A 897 11.180 7.405 -6.359 1.00 0.00 C ATOM 0 H VAL A 897 10.045 7.213 -8.693 1.00 0.00 H new ATOM 0 HA VAL A 897 12.187 9.163 -9.125 1.00 0.00 H new ATOM 0 HB VAL A 897 12.922 8.546 -6.779 1.00 0.00 H new ATOM 0 HG11 VAL A 897 11.239 10.028 -5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.773 10.633 -7.346 1.00 0.00 H new ATOM 0 HG13 VAL A 897 10.199 9.819 -7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 897 11.203 7.622 -5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.145 7.337 -6.694 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.685 6.458 -6.547 1.00 0.00 H new ATOM 916 N GLY A 898 12.368 6.033 -9.414 1.00 0.00 N ATOM 917 CA GLY A 898 13.236 4.947 -9.795 1.00 0.00 C ATOM 918 C GLY A 898 13.333 3.898 -8.718 1.00 0.00 C ATOM 919 O GLY A 898 14.275 3.122 -8.680 1.00 0.00 O ATOM 0 H GLY A 898 11.371 5.844 -9.517 1.00 0.00 H new ATOM 0 HA2 GLY A 898 12.865 4.491 -10.713 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.230 5.337 -10.012 1.00 0.00 H new ATOM 923 N ILE A 899 12.362 3.879 -7.844 1.00 0.00 N ATOM 924 CA ILE A 899 12.297 2.889 -6.797 1.00 0.00 C ATOM 925 C ILE A 899 11.532 1.681 -7.347 1.00 0.00 C ATOM 926 O ILE A 899 10.534 1.839 -8.069 1.00 0.00 O ATOM 927 CB ILE A 899 11.609 3.462 -5.506 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.481 4.543 -4.836 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.278 2.361 -4.497 1.00 0.00 C ATOM 930 CD1 ILE A 899 13.713 4.024 -4.139 1.00 0.00 C ATOM 0 H ILE A 899 11.593 4.549 -7.836 1.00 0.00 H new ATOM 0 HA ILE A 899 13.303 2.593 -6.500 1.00 0.00 H new ATOM 0 HB ILE A 899 10.673 3.918 -5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.787 5.264 -5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 899 11.872 5.083 -4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 899 10.804 2.802 -3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 899 10.599 1.641 -4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.195 1.854 -4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.261 4.858 -3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.420 3.327 -3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.350 3.511 -4.860 1.00 0.00 H new ATOM 942 N MET A 900 12.035 0.503 -7.089 1.00 0.00 N ATOM 943 CA MET A 900 11.403 -0.711 -7.576 1.00 0.00 C ATOM 944 C MET A 900 11.065 -1.634 -6.422 1.00 0.00 C ATOM 945 O MET A 900 10.096 -2.394 -6.475 1.00 0.00 O ATOM 946 CB MET A 900 12.299 -1.423 -8.599 1.00 0.00 C ATOM 947 CG MET A 900 12.615 -0.574 -9.823 1.00 0.00 C ATOM 948 SD MET A 900 13.644 -1.429 -11.033 1.00 0.00 S ATOM 949 CE MET A 900 13.836 -0.137 -12.270 1.00 0.00 C ATOM 0 H MET A 900 12.883 0.350 -6.543 1.00 0.00 H new ATOM 0 HA MET A 900 10.475 -0.435 -8.077 1.00 0.00 H new ATOM 0 HB2 MET A 900 13.232 -1.710 -8.115 1.00 0.00 H new ATOM 0 HB3 MET A 900 11.810 -2.343 -8.921 1.00 0.00 H new ATOM 0 HG2 MET A 900 11.682 -0.271 -10.298 1.00 0.00 H new ATOM 0 HG3 MET A 900 13.121 0.337 -9.504 1.00 0.00 H new ATOM 0 HE1 MET A 900 14.451 -0.507 -13.091 1.00 0.00 H new ATOM 0 HE2 MET A 900 12.856 0.150 -12.651 1.00 0.00 H new ATOM 0 HE3 MET A 900 14.318 0.730 -11.819 1.00 0.00 H new ATOM 959 N ALA A 901 11.849 -1.566 -5.385 1.00 0.00 N ATOM 960 CA ALA A 901 11.601 -2.340 -4.209 1.00 0.00 C ATOM 961 C ALA A 901 11.639 -1.428 -3.019 1.00 0.00 C ATOM 962 O ALA A 901 12.291 -0.377 -3.060 1.00 0.00 O ATOM 963 CB ALA A 901 12.610 -3.456 -4.074 1.00 0.00 C ATOM 0 H ALA A 901 12.677 -0.972 -5.333 1.00 0.00 H new ATOM 0 HA ALA A 901 10.618 -2.806 -4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 901 12.399 -4.030 -3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 901 12.547 -4.111 -4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 901 13.613 -3.034 -4.010 1.00 0.00 H new ATOM 969 N ALA A 902 10.985 -1.816 -1.968 1.00 0.00 N ATOM 970 CA ALA A 902 10.856 -0.976 -0.812 1.00 0.00 C ATOM 971 C ALA A 902 12.056 -1.106 0.093 1.00 0.00 C ATOM 972 O ALA A 902 12.473 -2.224 0.426 1.00 0.00 O ATOM 973 CB ALA A 902 9.595 -1.332 -0.038 1.00 0.00 C ATOM 0 H ALA A 902 10.525 -2.723 -1.885 1.00 0.00 H new ATOM 0 HA ALA A 902 10.791 0.056 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 902 9.510 -0.687 0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 902 8.724 -1.192 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 902 9.647 -2.372 0.283 1.00 0.00 H new ATOM 979 N PRO A 903 12.683 0.009 0.463 1.00 0.00 N ATOM 980 CA PRO A 903 13.694 -0.007 1.458 1.00 0.00 C ATOM 981 C PRO A 903 13.024 0.096 2.820 1.00 0.00 C ATOM 982 O PRO A 903 11.849 0.512 2.913 1.00 0.00 O ATOM 983 CB PRO A 903 14.550 1.233 1.163 1.00 0.00 C ATOM 984 CG PRO A 903 13.760 2.078 0.218 1.00 0.00 C ATOM 985 CD PRO A 903 12.458 1.366 -0.063 1.00 0.00 C ATOM 0 HA PRO A 903 14.302 -0.912 1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 903 14.771 1.779 2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 903 15.506 0.949 0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 903 13.572 3.061 0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 903 14.315 2.238 -0.706 1.00 0.00 H new ATOM 0 HD2 PRO A 903 11.619 1.854 0.433 1.00 0.00 H new ATOM 0 HD3 PRO A 903 12.232 1.350 -1.129 1.00 0.00 H new ATOM 993 N PRO A 904 13.692 -0.317 3.874 1.00 0.00 N ATOM 994 CA PRO A 904 13.126 -0.250 5.203 1.00 0.00 C ATOM 995 C PRO A 904 12.972 1.189 5.662 1.00 0.00 C ATOM 996 O PRO A 904 13.705 2.078 5.217 1.00 0.00 O ATOM 997 CB PRO A 904 14.142 -0.980 6.082 1.00 0.00 C ATOM 998 CG PRO A 904 15.418 -0.973 5.311 1.00 0.00 C ATOM 999 CD PRO A 904 15.047 -0.884 3.860 1.00 0.00 C ATOM 0 HA PRO A 904 12.131 -0.692 5.247 1.00 0.00 H new ATOM 0 HB2 PRO A 904 14.262 -0.478 7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 904 13.817 -1.999 6.293 1.00 0.00 H new ATOM 0 HG2 PRO A 904 16.042 -0.128 5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 904 15.994 -1.877 5.508 1.00 0.00 H new ATOM 0 HD2 PRO A 904 15.740 -0.248 3.309 1.00 0.00 H new ATOM 0 HD3 PRO A 904 15.065 -1.864 3.383 1.00 0.00 H new ATOM 1007 N GLU A 905 12.052 1.415 6.563 1.00 0.00 N ATOM 1008 CA GLU A 905 11.830 2.731 7.123 1.00 0.00 C ATOM 1009 C GLU A 905 12.945 3.102 8.088 1.00 0.00 C ATOM 1010 O GLU A 905 13.068 4.247 8.511 1.00 0.00 O ATOM 1011 CB GLU A 905 10.446 2.874 7.782 1.00 0.00 C ATOM 1012 CG GLU A 905 10.045 1.772 8.754 1.00 0.00 C ATOM 1013 CD GLU A 905 9.598 0.513 8.060 1.00 0.00 C ATOM 1014 OE1 GLU A 905 10.442 -0.351 7.764 1.00 0.00 O ATOM 1015 OE2 GLU A 905 8.398 0.390 7.761 1.00 0.00 O ATOM 0 H GLU A 905 11.433 0.694 6.932 1.00 0.00 H new ATOM 0 HA GLU A 905 11.845 3.435 6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 905 10.416 3.826 8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 905 9.695 2.925 6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 905 10.890 1.542 9.404 1.00 0.00 H new ATOM 0 HG3 GLU A 905 9.240 2.134 9.394 1.00 0.00 H new ATOM 1022 N GLU A 906 13.757 2.117 8.415 1.00 0.00 N ATOM 1023 CA GLU A 906 14.929 2.296 9.253 1.00 0.00 C ATOM 1024 C GLU A 906 16.116 2.743 8.394 1.00 0.00 C ATOM 1025 O GLU A 906 17.212 3.029 8.895 1.00 0.00 O ATOM 1026 CB GLU A 906 15.232 0.996 9.979 1.00 0.00 C ATOM 1027 CG GLU A 906 14.056 0.494 10.801 1.00 0.00 C ATOM 1028 CD GLU A 906 13.692 1.416 11.953 1.00 0.00 C ATOM 1029 OE1 GLU A 906 13.180 2.525 11.722 1.00 0.00 O ATOM 1030 OE2 GLU A 906 13.895 1.035 13.120 1.00 0.00 O ATOM 0 H GLU A 906 13.621 1.156 8.103 1.00 0.00 H new ATOM 0 HA GLU A 906 14.741 3.070 9.997 1.00 0.00 H new ATOM 0 HB2 GLU A 906 15.512 0.235 9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 906 16.091 1.142 10.634 1.00 0.00 H new ATOM 0 HG2 GLU A 906 13.190 0.378 10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 906 14.293 -0.494 11.196 1.00 0.00 H new ATOM 1037 N MET A 907 15.883 2.778 7.102 1.00 0.00 N ATOM 1038 CA MET A 907 16.825 3.294 6.137 1.00 0.00 C ATOM 1039 C MET A 907 16.254 4.582 5.612 1.00 0.00 C ATOM 1040 O MET A 907 15.030 4.696 5.442 1.00 0.00 O ATOM 1041 CB MET A 907 17.031 2.308 4.977 1.00 0.00 C ATOM 1042 CG MET A 907 17.953 2.808 3.867 1.00 0.00 C ATOM 1043 SD MET A 907 18.083 1.655 2.478 1.00 0.00 S ATOM 1044 CE MET A 907 19.166 2.590 1.387 1.00 0.00 C ATOM 0 H MET A 907 15.015 2.441 6.685 1.00 0.00 H new ATOM 0 HA MET A 907 17.796 3.448 6.608 1.00 0.00 H new ATOM 0 HB2 MET A 907 17.437 1.379 5.376 1.00 0.00 H new ATOM 0 HB3 MET A 907 16.059 2.071 4.544 1.00 0.00 H new ATOM 0 HG2 MET A 907 17.585 3.767 3.502 1.00 0.00 H new ATOM 0 HG3 MET A 907 18.946 2.984 4.280 1.00 0.00 H new ATOM 0 HE1 MET A 907 19.348 2.018 0.477 1.00 0.00 H new ATOM 0 HE2 MET A 907 18.693 3.538 1.130 1.00 0.00 H new ATOM 0 HE3 MET A 907 20.113 2.781 1.891 1.00 0.00 H new ATOM 1054 N GLN A 908 17.088 5.545 5.376 1.00 0.00 N ATOM 1055 CA GLN A 908 16.607 6.812 4.896 1.00 0.00 C ATOM 1056 C GLN A 908 16.763 6.942 3.402 1.00 0.00 C ATOM 1057 O GLN A 908 17.662 6.345 2.790 1.00 0.00 O ATOM 1058 CB GLN A 908 17.237 7.993 5.623 1.00 0.00 C ATOM 1059 CG GLN A 908 16.954 7.991 7.118 1.00 0.00 C ATOM 1060 CD GLN A 908 17.420 9.242 7.828 1.00 0.00 C ATOM 1061 OE1 GLN A 908 17.799 9.195 8.995 1.00 0.00 O ATOM 1062 NE2 GLN A 908 17.354 10.368 7.166 1.00 0.00 N ATOM 0 H GLN A 908 18.098 5.485 5.505 1.00 0.00 H new ATOM 0 HA GLN A 908 15.541 6.837 5.121 1.00 0.00 H new ATOM 0 HB2 GLN A 908 18.315 7.978 5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 908 16.863 8.921 5.189 1.00 0.00 H new ATOM 0 HG2 GLN A 908 15.882 7.873 7.275 1.00 0.00 H new ATOM 0 HG3 GLN A 908 17.440 7.126 7.569 1.00 0.00 H new ATOM 0 HE21 GLN A 908 17.035 10.372 6.197 1.00 0.00 H new ATOM 0 HE22 GLN A 908 17.622 11.242 7.618 1.00 0.00 H new ATOM 1071 N TRP A 909 15.896 7.709 2.833 1.00 0.00 N ATOM 1072 CA TRP A 909 15.851 7.948 1.418 1.00 0.00 C ATOM 1073 C TRP A 909 15.455 9.377 1.219 1.00 0.00 C ATOM 1074 O TRP A 909 14.661 9.918 2.001 1.00 0.00 O ATOM 1075 CB TRP A 909 14.837 7.000 0.742 1.00 0.00 C ATOM 1076 CG TRP A 909 14.631 7.227 -0.734 1.00 0.00 C ATOM 1077 CD1 TRP A 909 15.297 6.635 -1.764 1.00 0.00 C ATOM 1078 CD2 TRP A 909 13.669 8.109 -1.333 1.00 0.00 C ATOM 1079 NE1 TRP A 909 14.822 7.118 -2.965 1.00 0.00 N ATOM 1080 CE2 TRP A 909 13.818 8.016 -2.719 1.00 0.00 C ATOM 1081 CE3 TRP A 909 12.703 8.969 -0.815 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.031 8.753 -3.597 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 11.928 9.697 -1.681 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.092 9.586 -3.060 1.00 0.00 C ATOM 0 H TRP A 909 15.172 8.207 3.351 1.00 0.00 H new ATOM 0 HA TRP A 909 16.824 7.757 0.965 1.00 0.00 H new ATOM 0 HB2 TRP A 909 15.168 5.973 0.892 1.00 0.00 H new ATOM 0 HB3 TRP A 909 13.876 7.102 1.247 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.079 5.898 -1.656 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.163 6.850 -3.888 1.00 0.00 H new ATOM 0 HE3 TRP A 909 12.567 9.061 0.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.158 8.669 -4.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.178 10.367 -1.288 1.00 0.00 H new ATOM 0 HH2 TRP A 909 11.464 10.170 -3.717 1.00 0.00 H new ATOM 1095 N PHE A 910 15.995 9.987 0.212 1.00 0.00 N ATOM 1096 CA PHE A 910 15.745 11.366 -0.057 1.00 0.00 C ATOM 1097 C PHE A 910 15.369 11.516 -1.507 1.00 0.00 C ATOM 1098 O PHE A 910 15.947 10.835 -2.379 1.00 0.00 O ATOM 1099 CB PHE A 910 16.991 12.196 0.286 1.00 0.00 C ATOM 1100 CG PHE A 910 17.461 11.958 1.689 1.00 0.00 C ATOM 1101 CD1 PHE A 910 16.709 12.396 2.750 1.00 0.00 C ATOM 1102 CD2 PHE A 910 18.636 11.269 1.944 1.00 0.00 C ATOM 1103 CE1 PHE A 910 17.099 12.156 4.040 1.00 0.00 C ATOM 1104 CE2 PHE A 910 19.039 11.031 3.238 1.00 0.00 C ATOM 1105 CZ PHE A 910 18.264 11.474 4.287 1.00 0.00 C ATOM 0 H PHE A 910 16.627 9.538 -0.451 1.00 0.00 H new ATOM 0 HA PHE A 910 14.923 11.730 0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 910 17.792 11.950 -0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 910 16.768 13.255 0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 910 15.794 12.939 2.564 1.00 0.00 H new ATOM 0 HD2 PHE A 910 19.240 10.916 1.121 1.00 0.00 H new ATOM 0 HE1 PHE A 910 16.491 12.503 4.862 1.00 0.00 H new ATOM 0 HE2 PHE A 910 19.959 10.499 3.430 1.00 0.00 H new ATOM 0 HZ PHE A 910 18.573 11.285 5.304 1.00 0.00 H new ATOM 1115 N CYS A 911 14.399 12.358 -1.770 1.00 0.00 N ATOM 1116 CA CYS A 911 13.921 12.585 -3.115 1.00 0.00 C ATOM 1117 C CYS A 911 15.027 13.245 -3.953 1.00 0.00 C ATOM 1118 O CYS A 911 15.990 13.774 -3.386 1.00 0.00 O ATOM 1119 CB CYS A 911 12.649 13.471 -3.070 1.00 0.00 C ATOM 1120 SG CYS A 911 12.903 15.186 -2.509 1.00 0.00 S ATOM 0 H CYS A 911 13.917 12.906 -1.058 1.00 0.00 H new ATOM 0 HA CYS A 911 13.662 11.635 -3.582 1.00 0.00 H new ATOM 0 HB2 CYS A 911 12.210 13.495 -4.067 1.00 0.00 H new ATOM 0 HB3 CYS A 911 11.921 12.997 -2.412 1.00 0.00 H new ATOM 0 HG CYS A 911 12.174 15.411 -1.457 1.00 0.00 H new ATOM 1125 N PRO A 912 14.920 13.249 -5.303 1.00 0.00 N ATOM 1126 CA PRO A 912 15.919 13.874 -6.182 1.00 0.00 C ATOM 1127 C PRO A 912 16.145 15.370 -5.884 1.00 0.00 C ATOM 1128 O PRO A 912 17.090 15.970 -6.386 1.00 0.00 O ATOM 1129 CB PRO A 912 15.341 13.689 -7.593 1.00 0.00 C ATOM 1130 CG PRO A 912 13.908 13.344 -7.383 1.00 0.00 C ATOM 1131 CD PRO A 912 13.855 12.606 -6.087 1.00 0.00 C ATOM 0 HA PRO A 912 16.899 13.417 -6.045 1.00 0.00 H new ATOM 0 HB2 PRO A 912 15.445 14.599 -8.184 1.00 0.00 H new ATOM 0 HB3 PRO A 912 15.862 12.898 -8.132 1.00 0.00 H new ATOM 0 HG2 PRO A 912 13.291 14.242 -7.348 1.00 0.00 H new ATOM 0 HG3 PRO A 912 13.530 12.729 -8.199 1.00 0.00 H new ATOM 0 HD2 PRO A 912 12.882 12.704 -5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 912 14.038 11.540 -6.221 1.00 0.00 H new ATOM 1139 N LYS A 913 15.288 15.961 -5.073 1.00 0.00 N ATOM 1140 CA LYS A 913 15.457 17.336 -4.680 1.00 0.00 C ATOM 1141 C LYS A 913 16.442 17.378 -3.514 1.00 0.00 C ATOM 1142 O LYS A 913 17.518 17.974 -3.600 1.00 0.00 O ATOM 1143 CB LYS A 913 14.109 17.961 -4.257 1.00 0.00 C ATOM 1144 CG LYS A 913 12.993 17.799 -5.286 1.00 0.00 C ATOM 1145 CD LYS A 913 11.718 18.580 -4.916 1.00 0.00 C ATOM 1146 CE LYS A 913 11.060 18.131 -3.596 1.00 0.00 C ATOM 1147 NZ LYS A 913 10.642 16.709 -3.612 1.00 0.00 N ATOM 0 H LYS A 913 14.467 15.504 -4.676 1.00 0.00 H new ATOM 0 HA LYS A 913 15.837 17.913 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 913 13.790 17.508 -3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 913 14.259 19.023 -4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 913 13.351 18.137 -6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 913 12.749 16.741 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 913 11.963 19.640 -4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 913 10.994 18.474 -5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 913 11.760 18.289 -2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 913 10.190 18.758 -3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 9.764 16.599 -3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 10.479 16.406 -4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 11.389 16.123 -3.189 1.00 0.00 H new ATOM 1161 N CYS A 914 16.115 16.636 -2.483 1.00 0.00 N ATOM 1162 CA CYS A 914 16.879 16.621 -1.256 1.00 0.00 C ATOM 1163 C CYS A 914 18.178 15.835 -1.355 1.00 0.00 C ATOM 1164 O CYS A 914 19.141 16.113 -0.638 1.00 0.00 O ATOM 1165 CB CYS A 914 16.006 16.082 -0.158 1.00 0.00 C ATOM 1166 SG CYS A 914 14.599 17.149 0.194 1.00 0.00 S ATOM 0 H CYS A 914 15.303 16.019 -2.471 1.00 0.00 H new ATOM 0 HA CYS A 914 17.182 17.645 -1.039 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.646 15.092 -0.438 1.00 0.00 H new ATOM 0 HB3 CYS A 914 16.601 15.960 0.747 1.00 0.00 H new ATOM 0 HG CYS A 914 13.510 16.439 0.213 1.00 0.00 H new ATOM 1171 N ALA A 915 18.208 14.870 -2.217 1.00 0.00 N ATOM 1172 CA ALA A 915 19.392 14.080 -2.408 1.00 0.00 C ATOM 1173 C ALA A 915 20.382 14.801 -3.313 1.00 0.00 C ATOM 1174 O ALA A 915 21.565 14.474 -3.348 1.00 0.00 O ATOM 1175 CB ALA A 915 19.029 12.721 -2.968 1.00 0.00 C ATOM 0 H ALA A 915 17.420 14.604 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 915 19.874 13.934 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 915 19.935 12.131 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 915 18.365 12.207 -2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 915 18.525 12.845 -3.926 1.00 0.00 H new ATOM 1181 N ASN A 916 19.900 15.817 -4.011 1.00 0.00 N ATOM 1182 CA ASN A 916 20.723 16.553 -4.969 1.00 0.00 C ATOM 1183 C ASN A 916 21.592 17.566 -4.262 1.00 0.00 C ATOM 1184 O ASN A 916 22.748 17.764 -4.626 1.00 0.00 O ATOM 1185 CB ASN A 916 19.862 17.271 -5.996 1.00 0.00 C ATOM 1186 CG ASN A 916 20.679 17.951 -7.084 1.00 0.00 C ATOM 1187 OD1 ASN A 916 21.744 17.478 -7.478 1.00 0.00 O ATOM 1188 ND2 ASN A 916 20.212 19.069 -7.548 1.00 0.00 N ATOM 0 H ASN A 916 18.941 16.155 -3.935 1.00 0.00 H new ATOM 0 HA ASN A 916 21.354 15.825 -5.479 1.00 0.00 H new ATOM 0 HB2 ASN A 916 19.180 16.555 -6.455 1.00 0.00 H new ATOM 0 HB3 ASN A 916 19.248 18.017 -5.490 1.00 0.00 H new ATOM 0 HD21 ASN A 916 20.731 19.582 -8.260 1.00 0.00 H new ATOM 0 HD22 ASN A 916 19.326 19.435 -7.201 1.00 0.00 H new ATOM 1195 N LYS A 917 21.047 18.187 -3.217 1.00 0.00 N ATOM 1196 CA LYS A 917 21.778 19.208 -2.452 1.00 0.00 C ATOM 1197 C LYS A 917 23.027 18.628 -1.802 1.00 0.00 C ATOM 1198 O LYS A 917 23.986 19.337 -1.522 1.00 0.00 O ATOM 1199 CB LYS A 917 20.876 19.885 -1.410 1.00 0.00 C ATOM 1200 CG LYS A 917 20.256 18.945 -0.422 1.00 0.00 C ATOM 1201 CD LYS A 917 19.399 19.689 0.568 1.00 0.00 C ATOM 1202 CE LYS A 917 18.609 18.742 1.445 1.00 0.00 C ATOM 1203 NZ LYS A 917 19.450 17.930 2.352 1.00 0.00 N ATOM 0 H LYS A 917 20.103 18.004 -2.877 1.00 0.00 H new ATOM 0 HA LYS A 917 22.097 19.974 -3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 917 21.462 20.627 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 917 20.082 20.422 -1.929 1.00 0.00 H new ATOM 0 HG2 LYS A 917 19.652 18.206 -0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 917 21.038 18.400 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 917 20.030 20.323 1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 917 18.714 20.348 0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 917 17.900 19.318 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 917 18.025 18.075 0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 18.843 17.420 3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 20.001 17.246 1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 20.098 18.553 2.875 1.00 0.00 H new ATOM 1217 N ILE A 918 23.013 17.326 -1.621 1.00 0.00 N ATOM 1218 CA ILE A 918 24.123 16.606 -1.043 1.00 0.00 C ATOM 1219 C ILE A 918 25.299 16.590 -2.040 1.00 0.00 C ATOM 1220 O ILE A 918 26.467 16.670 -1.654 1.00 0.00 O ATOM 1221 CB ILE A 918 23.708 15.147 -0.721 1.00 0.00 C ATOM 1222 CG1 ILE A 918 22.416 15.130 0.123 1.00 0.00 C ATOM 1223 CG2 ILE A 918 24.835 14.428 0.015 1.00 0.00 C ATOM 1224 CD1 ILE A 918 21.907 13.739 0.455 1.00 0.00 C ATOM 0 H ILE A 918 22.223 16.733 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 918 24.424 17.103 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 918 23.515 14.624 -1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 918 22.596 15.670 1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 918 21.637 15.671 -0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 918 24.531 13.405 0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 918 25.728 14.415 -0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 918 25.052 14.950 0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 918 20.997 13.817 1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 918 21.692 13.200 -0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 918 22.666 13.200 1.022 1.00 0.00 H new