USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 689 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 NoAdj-H: A 890 HIS H : A 890 HIS N : A 855 ARG O :(H bumps) USER MOD NoAdj-H: A 913 ILE H : A 913 ILE N : A 850 ILE CG2 :(H bumps) USER MOD Single : A 840 THR OG1 : rot -125:sc= -0.786! USER MOD Single : A 842 CYS SG : rot 17:sc= 0.689 USER MOD Single : A 843 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 844 THR OG1 : rot 180:sc= 0 USER MOD Single : A 845 LYS NZ :NH3+ -178:sc= -10.4! (180deg=-10.7!) USER MOD Single : A 852 THR OG1 : rot 180:sc= 0 USER MOD Single : A 857 TYR OH : rot 180:sc= -0.0719 USER MOD Single : A 861 SER OG : rot 180:sc= 0 USER MOD Single : A 862 THR OG1 : rot -120:sc= 0 USER MOD Single : A 866 SER OG : rot 180:sc= 0 USER MOD Single : A 871 TYR OH : rot 126:sc= -25.2! USER MOD Single : A 881 GLN : amide:sc=-0.00845 X(o=-0.0084,f=-0.49) USER MOD Single : A 885 MET CE :methyl 133:sc= -17.8! (180deg=-26.5!) USER MOD Single : A 886 THR OG1 : rot 180:sc= -0.617 USER MOD Single : A 887 SER OG : rot 180:sc= 0 USER MOD Single : A 890 HIS : no HD1:sc= -17! C(o=-17!,f=-19!) USER MOD Single : A 894 SER OG : rot 180:sc= 0 USER MOD Single : A 897 LYS NZ :NH3+ 157:sc= -18.3! (180deg=-19.4!) USER MOD Single : A 898 ASN : amide:sc= -32.1! C(o=-32!,f=-40!) USER MOD Single : A 902 GLN : amide:sc= -1.67 K(o=-1.7,f=-0.83) USER MOD Single : A 903 GLN : amide:sc= -6.55! C(o=-6.5!,f=-9!) USER MOD Single : A 905 SER OG : rot 180:sc= -2.58! USER MOD Single : A 912 CYS SG : rot 168:sc= -14.2! USER MOD Single : A 915 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 922 CYS SG : rot -2:sc= 0.17 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 837 -9.327 -3.969 7.238 1.00 0.00 N ATOM 20 CA ALA A 837 -9.373 -4.603 5.936 1.00 0.00 C ATOM 21 C ALA A 837 -10.814 -4.933 5.574 1.00 0.00 C ATOM 22 O ALA A 837 -11.252 -4.667 4.457 1.00 0.00 O ATOM 23 CB ALA A 837 -8.517 -5.866 5.956 1.00 0.00 C ATOM 0 HA ALA A 837 -8.977 -3.923 5.182 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -8.551 -6.344 4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -7.487 -5.604 6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -8.901 -6.554 6.709 1.00 0.00 H new ATOM 29 N ASP A 838 -11.552 -5.516 6.523 1.00 0.00 N ATOM 30 CA ASP A 838 -12.936 -5.880 6.299 1.00 0.00 C ATOM 31 C ASP A 838 -13.807 -4.631 6.320 1.00 0.00 C ATOM 32 O ASP A 838 -15.024 -4.719 6.180 1.00 0.00 O ATOM 33 CB ASP A 838 -13.381 -6.868 7.373 1.00 0.00 C ATOM 34 CG ASP A 838 -13.621 -6.159 8.698 1.00 0.00 C ATOM 35 OD1 ASP A 838 -14.677 -5.499 8.807 1.00 0.00 O ATOM 36 OD2 ASP A 838 -12.743 -6.290 9.579 1.00 0.00 O ATOM 0 H ASP A 838 -11.204 -5.743 7.454 1.00 0.00 H new ATOM 0 HA ASP A 838 -13.039 -6.354 5.323 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -14.294 -7.371 7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -12.621 -7.639 7.501 1.00 0.00 H new ATOM 41 N GLU A 839 -13.179 -3.466 6.496 1.00 0.00 N ATOM 42 CA GLU A 839 -13.902 -2.210 6.533 1.00 0.00 C ATOM 43 C GLU A 839 -13.788 -1.505 5.189 1.00 0.00 C ATOM 44 O GLU A 839 -14.528 -0.564 4.914 1.00 0.00 O ATOM 45 CB GLU A 839 -13.341 -1.335 7.651 1.00 0.00 C ATOM 46 CG GLU A 839 -14.180 -1.522 8.912 1.00 0.00 C ATOM 47 CD GLU A 839 -14.766 -0.196 9.376 1.00 0.00 C ATOM 48 OE1 GLU A 839 -15.224 0.561 8.494 1.00 0.00 O ATOM 49 OE2 GLU A 839 -14.744 0.035 10.604 1.00 0.00 O ATOM 0 H GLU A 839 -12.170 -3.375 6.614 1.00 0.00 H new ATOM 0 HA GLU A 839 -14.957 -2.401 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 839 -12.303 -1.601 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 839 -13.350 -0.288 7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 839 -14.984 -2.231 8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 839 -13.564 -1.949 9.704 1.00 0.00 H new ATOM 56 N THR A 840 -12.856 -1.964 4.350 1.00 0.00 N ATOM 57 CA THR A 840 -12.654 -1.375 3.041 1.00 0.00 C ATOM 58 C THR A 840 -12.527 -2.472 1.993 1.00 0.00 C ATOM 59 O THR A 840 -13.379 -2.599 1.117 1.00 0.00 O ATOM 60 CB THR A 840 -11.403 -0.502 3.065 1.00 0.00 C ATOM 61 OG1 THR A 840 -10.328 -1.206 2.483 1.00 0.00 O ATOM 62 CG2 THR A 840 -11.057 -0.148 4.508 1.00 0.00 C ATOM 0 H THR A 840 -12.233 -2.743 4.562 1.00 0.00 H new ATOM 0 HA THR A 840 -13.511 -0.753 2.783 1.00 0.00 H new ATOM 0 HB THR A 840 -11.587 0.412 2.501 1.00 0.00 H new ATOM 0 HG1 THR A 840 -9.574 -1.228 3.109 1.00 0.00 H new ATOM 0 HG21 THR A 840 -10.163 0.476 4.525 1.00 0.00 H new ATOM 0 HG22 THR A 840 -11.888 0.395 4.958 1.00 0.00 H new ATOM 0 HG23 THR A 840 -10.873 -1.062 5.073 1.00 0.00 H new ATOM 70 N LEU A 841 -11.457 -3.265 2.086 1.00 0.00 N ATOM 71 CA LEU A 841 -11.223 -4.345 1.148 1.00 0.00 C ATOM 72 C LEU A 841 -12.308 -5.402 1.296 1.00 0.00 C ATOM 73 O LEU A 841 -12.352 -6.361 0.529 1.00 0.00 O ATOM 74 CB LEU A 841 -9.844 -4.948 1.403 1.00 0.00 C ATOM 75 CG LEU A 841 -9.576 -6.051 0.383 1.00 0.00 C ATOM 76 CD1 LEU A 841 -9.842 -7.411 1.022 1.00 0.00 C ATOM 77 CD2 LEU A 841 -10.494 -5.865 -0.821 1.00 0.00 C ATOM 0 H LEU A 841 -10.742 -3.172 2.807 1.00 0.00 H new ATOM 0 HA LEU A 841 -11.255 -3.960 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 841 -9.078 -4.176 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 841 -9.793 -5.352 2.414 1.00 0.00 H new ATOM 0 HG LEU A 841 -8.537 -6.000 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 841 -9.651 -8.199 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 841 -9.185 -7.544 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 841 -10.881 -7.463 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 841 -10.303 -6.653 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 841 -11.534 -5.915 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 841 -10.303 -4.894 -1.278 1.00 0.00 H new ATOM 89 N CYS A 842 -13.186 -5.222 2.286 1.00 0.00 N ATOM 90 CA CYS A 842 -14.268 -6.154 2.532 1.00 0.00 C ATOM 91 C CYS A 842 -15.205 -6.176 1.333 1.00 0.00 C ATOM 92 O CYS A 842 -16.113 -7.002 1.270 1.00 0.00 O ATOM 93 CB CYS A 842 -15.015 -5.742 3.797 1.00 0.00 C ATOM 94 SG CYS A 842 -16.720 -6.340 3.686 1.00 0.00 S ATOM 0 H CYS A 842 -13.160 -4.431 2.929 1.00 0.00 H new ATOM 0 HA CYS A 842 -13.868 -7.158 2.676 1.00 0.00 H new ATOM 0 HB2 CYS A 842 -14.525 -6.158 4.677 1.00 0.00 H new ATOM 0 HB3 CYS A 842 -15.001 -4.658 3.907 1.00 0.00 H new ATOM 0 HG CYS A 842 -16.802 -7.249 2.760 1.00 0.00 H new ATOM 100 N GLN A 843 -14.983 -5.267 0.381 1.00 0.00 N ATOM 101 CA GLN A 843 -15.809 -5.189 -0.807 1.00 0.00 C ATOM 102 C GLN A 843 -15.100 -5.861 -1.975 1.00 0.00 C ATOM 103 O GLN A 843 -14.872 -5.236 -3.008 1.00 0.00 O ATOM 104 CB GLN A 843 -16.104 -3.725 -1.124 1.00 0.00 C ATOM 105 CG GLN A 843 -16.180 -2.928 0.175 1.00 0.00 C ATOM 106 CD GLN A 843 -17.512 -2.200 0.288 1.00 0.00 C ATOM 107 OE1 GLN A 843 -17.551 -0.972 0.292 1.00 0.00 O ATOM 108 NE2 GLN A 843 -18.604 -2.962 0.380 1.00 0.00 N ATOM 0 H GLN A 843 -14.233 -4.576 0.418 1.00 0.00 H new ATOM 0 HA GLN A 843 -16.752 -5.708 -0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 843 -15.325 -3.317 -1.768 1.00 0.00 H new ATOM 0 HB3 GLN A 843 -17.044 -3.642 -1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 843 -16.054 -3.598 1.025 1.00 0.00 H new ATOM 0 HG3 GLN A 843 -15.363 -2.208 0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 843 -18.519 -3.978 0.372 1.00 0.00 H new ATOM 0 HE22 GLN A 843 -19.524 -2.528 0.458 1.00 0.00 H new ATOM 117 N THR A 844 -14.751 -7.139 -1.809 1.00 0.00 N ATOM 118 CA THR A 844 -14.072 -7.884 -2.850 1.00 0.00 C ATOM 119 C THR A 844 -12.615 -7.454 -2.930 1.00 0.00 C ATOM 120 O THR A 844 -11.727 -8.169 -2.470 1.00 0.00 O ATOM 121 CB THR A 844 -14.778 -7.652 -4.183 1.00 0.00 C ATOM 122 OG1 THR A 844 -15.226 -8.885 -4.699 1.00 0.00 O ATOM 123 CG2 THR A 844 -13.806 -7.011 -5.169 1.00 0.00 C ATOM 0 H THR A 844 -14.932 -7.673 -0.959 1.00 0.00 H new ATOM 0 HA THR A 844 -14.102 -8.948 -2.617 1.00 0.00 H new ATOM 0 HB THR A 844 -15.631 -6.990 -4.032 1.00 0.00 H new ATOM 0 HG1 THR A 844 -15.681 -8.736 -5.554 1.00 0.00 H new ATOM 0 HG21 THR A 844 -14.310 -6.845 -6.121 1.00 0.00 H new ATOM 0 HG22 THR A 844 -13.460 -6.057 -4.771 1.00 0.00 H new ATOM 0 HG23 THR A 844 -12.953 -7.672 -5.321 1.00 0.00 H new ATOM 131 N LYS A 845 -12.369 -6.279 -3.516 1.00 0.00 N ATOM 132 CA LYS A 845 -11.023 -5.761 -3.652 1.00 0.00 C ATOM 133 C LYS A 845 -11.039 -4.243 -3.544 1.00 0.00 C ATOM 134 O LYS A 845 -9.994 -3.620 -3.369 1.00 0.00 O ATOM 135 CB LYS A 845 -10.443 -6.201 -4.994 1.00 0.00 C ATOM 136 CG LYS A 845 -9.078 -6.846 -4.771 1.00 0.00 C ATOM 137 CD LYS A 845 -9.130 -7.731 -3.529 1.00 0.00 C ATOM 138 CE LYS A 845 -8.271 -7.115 -2.428 1.00 0.00 C ATOM 139 NZ LYS A 845 -6.848 -7.428 -2.633 1.00 0.00 N ATOM 0 H LYS A 845 -13.093 -5.674 -3.902 1.00 0.00 H new ATOM 0 HA LYS A 845 -10.396 -6.155 -2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 845 -11.116 -6.908 -5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 845 -10.347 -5.343 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 845 -8.798 -7.439 -5.642 1.00 0.00 H new ATOM 0 HG3 LYS A 845 -8.316 -6.076 -4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 845 -10.160 -7.835 -3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 845 -8.771 -8.732 -3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 845 -8.411 -6.034 -2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 845 -8.594 -7.491 -1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 -6.289 -7.027 -1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 -6.719 -8.460 -2.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 -6.529 -7.019 -3.534 1.00 0.00 H new ATOM 153 N VAL A 846 -12.230 -3.649 -3.647 1.00 0.00 N ATOM 154 CA VAL A 846 -12.377 -2.210 -3.560 1.00 0.00 C ATOM 155 C VAL A 846 -11.474 -1.538 -4.585 1.00 0.00 C ATOM 156 O VAL A 846 -11.894 -1.280 -5.711 1.00 0.00 O ATOM 157 CB VAL A 846 -12.030 -1.748 -2.148 1.00 0.00 C ATOM 158 CG1 VAL A 846 -13.151 -0.863 -1.612 1.00 0.00 C ATOM 159 CG2 VAL A 846 -11.864 -2.965 -1.242 1.00 0.00 C ATOM 0 H VAL A 846 -13.105 -4.153 -3.791 1.00 0.00 H new ATOM 0 HA VAL A 846 -13.409 -1.932 -3.775 1.00 0.00 H new ATOM 0 HB VAL A 846 -11.099 -1.181 -2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -12.903 -0.533 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -13.270 0.006 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -14.082 -1.429 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -11.616 -2.636 -0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -12.795 -3.532 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -11.063 -3.597 -1.625 1.00 0.00 H new ATOM 169 N LEU A 847 -10.230 -1.254 -4.193 1.00 0.00 N ATOM 170 CA LEU A 847 -9.276 -0.615 -5.077 1.00 0.00 C ATOM 171 C LEU A 847 -9.783 0.763 -5.475 1.00 0.00 C ATOM 172 O LEU A 847 -10.799 0.881 -6.155 1.00 0.00 O ATOM 173 CB LEU A 847 -9.061 -1.489 -6.310 1.00 0.00 C ATOM 174 CG LEU A 847 -9.184 -2.959 -5.919 1.00 0.00 C ATOM 175 CD1 LEU A 847 -8.345 -3.226 -4.673 1.00 0.00 C ATOM 176 CD2 LEU A 847 -10.646 -3.288 -5.629 1.00 0.00 C ATOM 0 H LEU A 847 -9.867 -1.461 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 847 -8.323 -0.494 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 847 -9.796 -1.243 -7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 847 -8.077 -1.297 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 847 -8.827 -3.584 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 847 -8.433 -4.276 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 847 -7.301 -2.992 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 847 -8.701 -2.601 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 847 -10.734 -4.338 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 847 -11.004 -2.663 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 847 -11.245 -3.098 -6.519 1.00 0.00 H new ATOM 188 N LEU A 848 -9.070 1.809 -5.048 1.00 0.00 N ATOM 189 CA LEU A 848 -9.450 3.172 -5.361 1.00 0.00 C ATOM 190 C LEU A 848 -8.210 3.991 -5.690 1.00 0.00 C ATOM 191 O LEU A 848 -7.099 3.466 -5.694 1.00 0.00 O ATOM 192 CB LEU A 848 -10.198 3.776 -4.176 1.00 0.00 C ATOM 193 CG LEU A 848 -11.697 3.553 -4.353 1.00 0.00 C ATOM 194 CD1 LEU A 848 -12.404 3.761 -3.017 1.00 0.00 C ATOM 195 CD2 LEU A 848 -12.241 4.545 -5.377 1.00 0.00 C ATOM 0 H LEU A 848 -8.225 1.728 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 848 -10.107 3.179 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 848 -9.859 3.318 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 848 -9.984 4.842 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 848 -11.874 2.536 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 848 -13.475 3.602 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 848 -12.016 3.052 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 848 -12.227 4.778 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 848 -13.312 4.386 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 848 -12.064 5.562 -5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 848 -11.736 4.396 -6.332 1.00 0.00 H new ATOM 207 N ASP A 849 -8.402 5.283 -5.966 1.00 0.00 N ATOM 208 CA ASP A 849 -7.301 6.166 -6.295 1.00 0.00 C ATOM 209 C ASP A 849 -6.537 6.529 -5.030 1.00 0.00 C ATOM 210 O ASP A 849 -6.156 7.682 -4.842 1.00 0.00 O ATOM 211 CB ASP A 849 -7.842 7.419 -6.979 1.00 0.00 C ATOM 212 CG ASP A 849 -8.498 7.073 -8.308 1.00 0.00 C ATOM 213 OD1 ASP A 849 -9.156 6.011 -8.357 1.00 0.00 O ATOM 214 OD2 ASP A 849 -8.329 7.877 -9.250 1.00 0.00 O ATOM 0 H ASP A 849 -9.317 5.734 -5.966 1.00 0.00 H new ATOM 0 HA ASP A 849 -6.616 5.663 -6.978 1.00 0.00 H new ATOM 0 HB2 ASP A 849 -8.566 7.909 -6.328 1.00 0.00 H new ATOM 0 HB3 ASP A 849 -7.030 8.128 -7.143 1.00 0.00 H new ATOM 219 N ILE A 850 -6.312 5.540 -4.162 1.00 0.00 N ATOM 220 CA ILE A 850 -5.595 5.757 -2.922 1.00 0.00 C ATOM 221 C ILE A 850 -4.110 5.934 -3.210 1.00 0.00 C ATOM 222 O ILE A 850 -3.659 7.041 -3.494 1.00 0.00 O ATOM 223 CB ILE A 850 -5.828 4.575 -1.986 1.00 0.00 C ATOM 224 CG1 ILE A 850 -6.940 3.693 -2.546 1.00 0.00 C ATOM 225 CG2 ILE A 850 -6.232 5.089 -0.607 1.00 0.00 C ATOM 226 CD1 ILE A 850 -8.292 4.350 -2.280 1.00 0.00 C ATOM 0 H ILE A 850 -6.622 4.579 -4.305 1.00 0.00 H new ATOM 0 HA ILE A 850 -5.962 6.662 -2.439 1.00 0.00 H new ATOM 0 HB ILE A 850 -4.910 3.993 -1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 850 -6.799 3.547 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 850 -6.905 2.707 -2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 850 -6.398 4.244 0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 850 -5.437 5.718 -0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 850 -7.149 5.672 -0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 850 -9.087 3.721 -2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 850 -8.432 4.473 -1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 850 -8.324 5.326 -2.764 1.00 0.00 H new ATOM 238 N PHE A 851 -3.351 4.838 -3.137 1.00 0.00 N ATOM 239 CA PHE A 851 -1.925 4.881 -3.390 1.00 0.00 C ATOM 240 C PHE A 851 -1.667 5.347 -4.816 1.00 0.00 C ATOM 241 O PHE A 851 -0.616 5.059 -5.385 1.00 0.00 O ATOM 242 CB PHE A 851 -1.327 3.496 -3.157 1.00 0.00 C ATOM 243 CG PHE A 851 -1.949 2.759 -1.996 1.00 0.00 C ATOM 244 CD1 PHE A 851 -1.875 3.296 -0.705 1.00 0.00 C ATOM 245 CD2 PHE A 851 -2.597 1.536 -2.208 1.00 0.00 C ATOM 246 CE1 PHE A 851 -2.450 2.612 0.373 1.00 0.00 C ATOM 247 CE2 PHE A 851 -3.172 0.852 -1.131 1.00 0.00 C ATOM 248 CZ PHE A 851 -3.098 1.390 0.159 1.00 0.00 C ATOM 0 H PHE A 851 -3.709 3.912 -2.904 1.00 0.00 H new ATOM 0 HA PHE A 851 -1.452 5.587 -2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 851 -1.447 2.900 -4.062 1.00 0.00 H new ATOM 0 HB3 PHE A 851 -0.256 3.596 -2.982 1.00 0.00 H new ATOM 0 HD1 PHE A 851 -1.374 4.239 -0.541 1.00 0.00 H new ATOM 0 HD2 PHE A 851 -2.653 1.120 -3.203 1.00 0.00 H new ATOM 0 HE1 PHE A 851 -2.394 3.027 1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 851 -3.673 -0.091 -1.295 1.00 0.00 H new ATOM 0 HZ PHE A 851 -3.541 0.862 0.990 1.00 0.00 H new ATOM 258 N THR A 852 -2.630 6.069 -5.394 1.00 0.00 N ATOM 259 CA THR A 852 -2.498 6.570 -6.747 1.00 0.00 C ATOM 260 C THR A 852 -1.059 6.992 -7.006 1.00 0.00 C ATOM 261 O THR A 852 -0.616 8.028 -6.516 1.00 0.00 O ATOM 262 CB THR A 852 -3.451 7.744 -6.949 1.00 0.00 C ATOM 263 OG1 THR A 852 -3.980 7.701 -8.256 1.00 0.00 O ATOM 264 CG2 THR A 852 -2.694 9.054 -6.750 1.00 0.00 C ATOM 0 H THR A 852 -3.508 6.315 -4.938 1.00 0.00 H new ATOM 0 HA THR A 852 -2.756 5.783 -7.456 1.00 0.00 H new ATOM 0 HB THR A 852 -4.264 7.680 -6.226 1.00 0.00 H new ATOM 0 HG1 THR A 852 -4.594 8.454 -8.385 1.00 0.00 H new ATOM 0 HG21 THR A 852 -3.375 9.893 -6.894 1.00 0.00 H new ATOM 0 HG22 THR A 852 -2.285 9.088 -5.740 1.00 0.00 H new ATOM 0 HG23 THR A 852 -1.881 9.118 -7.473 1.00 0.00 H new ATOM 272 N GLY A 853 -0.329 6.187 -7.781 1.00 0.00 N ATOM 273 CA GLY A 853 1.054 6.484 -8.098 1.00 0.00 C ATOM 274 C GLY A 853 1.922 6.345 -6.855 1.00 0.00 C ATOM 275 O GLY A 853 3.051 6.830 -6.826 1.00 0.00 O ATOM 0 H GLY A 853 -0.681 5.325 -8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 853 1.409 5.808 -8.876 1.00 0.00 H new ATOM 0 HA3 GLY A 853 1.134 7.496 -8.495 1.00 0.00 H new ATOM 279 N VAL A 854 1.391 5.680 -5.827 1.00 0.00 N ATOM 280 CA VAL A 854 2.116 5.480 -4.588 1.00 0.00 C ATOM 281 C VAL A 854 2.819 4.130 -4.615 1.00 0.00 C ATOM 282 O VAL A 854 2.184 3.095 -4.429 1.00 0.00 O ATOM 283 CB VAL A 854 1.147 5.563 -3.413 1.00 0.00 C ATOM 284 CG1 VAL A 854 1.807 4.979 -2.167 1.00 0.00 C ATOM 285 CG2 VAL A 854 0.780 7.022 -3.158 1.00 0.00 C ATOM 0 H VAL A 854 0.456 5.272 -5.837 1.00 0.00 H new ATOM 0 HA VAL A 854 2.871 6.258 -4.473 1.00 0.00 H new ATOM 0 HB VAL A 854 0.245 4.997 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 854 1.115 5.038 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 854 2.069 3.937 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 854 2.709 5.545 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 854 0.088 7.082 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 854 1.682 7.589 -2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 854 0.308 7.439 -4.048 1.00 0.00 H new ATOM 295 N ARG A 855 4.133 4.144 -4.848 1.00 0.00 N ATOM 296 CA ARG A 855 4.914 2.925 -4.899 1.00 0.00 C ATOM 297 C ARG A 855 5.463 2.606 -3.515 1.00 0.00 C ATOM 298 O ARG A 855 6.597 2.961 -3.199 1.00 0.00 O ATOM 299 CB ARG A 855 6.048 3.089 -5.906 1.00 0.00 C ATOM 300 CG ARG A 855 7.202 3.846 -5.253 1.00 0.00 C ATOM 301 CD ARG A 855 8.086 4.458 -6.336 1.00 0.00 C ATOM 302 NE ARG A 855 8.405 5.853 -6.028 1.00 0.00 N ATOM 303 CZ ARG A 855 7.673 6.881 -6.478 1.00 0.00 C ATOM 304 NH1 ARG A 855 6.597 6.653 -7.243 1.00 0.00 N ATOM 305 NH2 ARG A 855 8.016 8.137 -6.162 1.00 0.00 N ATOM 0 H ARG A 855 4.673 4.995 -5.004 1.00 0.00 H new ATOM 0 HA ARG A 855 4.281 2.096 -5.217 1.00 0.00 H new ATOM 0 HB2 ARG A 855 6.388 2.112 -6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 855 5.694 3.630 -6.784 1.00 0.00 H new ATOM 0 HG2 ARG A 855 6.815 4.628 -4.600 1.00 0.00 H new ATOM 0 HG3 ARG A 855 7.787 3.171 -4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 855 9.007 3.882 -6.427 1.00 0.00 H new ATOM 0 HD3 ARG A 855 7.579 4.402 -7.299 1.00 0.00 H new ATOM 0 HE ARG A 855 9.219 6.051 -5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 855 6.335 5.697 -7.483 1.00 0.00 H new ATOM 0 HH12 ARG A 855 6.040 7.436 -7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 855 8.835 8.311 -5.579 1.00 0.00 H new ATOM 0 HH22 ARG A 855 7.459 8.919 -6.505 1.00 0.00 H new ATOM 319 N LEU A 856 4.657 1.934 -2.691 1.00 0.00 N ATOM 320 CA LEU A 856 5.065 1.572 -1.348 1.00 0.00 C ATOM 321 C LEU A 856 5.478 0.107 -1.312 1.00 0.00 C ATOM 322 O LEU A 856 4.812 -0.742 -1.900 1.00 0.00 O ATOM 323 CB LEU A 856 3.916 1.834 -0.379 1.00 0.00 C ATOM 324 CG LEU A 856 3.236 0.513 -0.028 1.00 0.00 C ATOM 325 CD1 LEU A 856 4.288 -0.498 0.418 1.00 0.00 C ATOM 326 CD2 LEU A 856 2.237 0.741 1.103 1.00 0.00 C ATOM 0 H LEU A 856 3.715 1.632 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 856 5.920 2.178 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 856 4.291 2.314 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 856 3.196 2.518 -0.828 1.00 0.00 H new ATOM 0 HG LEU A 856 2.712 0.129 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 856 3.803 -1.441 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 856 5.002 -0.660 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 856 4.812 -0.115 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 856 1.751 -0.202 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 856 2.760 1.124 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 856 1.485 1.463 0.784 1.00 0.00 H new ATOM 338 N TYR A 857 6.579 -0.187 -0.618 1.00 0.00 N ATOM 339 CA TYR A 857 7.073 -1.545 -0.511 1.00 0.00 C ATOM 340 C TYR A 857 6.221 -2.329 0.477 1.00 0.00 C ATOM 341 O TYR A 857 6.398 -2.206 1.687 1.00 0.00 O ATOM 342 CB TYR A 857 8.533 -1.521 -0.065 1.00 0.00 C ATOM 343 CG TYR A 857 8.875 -2.597 0.937 1.00 0.00 C ATOM 344 CD1 TYR A 857 8.527 -3.929 0.680 1.00 0.00 C ATOM 345 CD2 TYR A 857 9.541 -2.264 2.123 1.00 0.00 C ATOM 346 CE1 TYR A 857 8.844 -4.927 1.609 1.00 0.00 C ATOM 347 CE2 TYR A 857 9.858 -3.262 3.052 1.00 0.00 C ATOM 348 CZ TYR A 857 9.509 -4.594 2.795 1.00 0.00 C ATOM 349 OH TYR A 857 9.818 -5.566 3.700 1.00 0.00 O ATOM 0 H TYR A 857 7.141 0.505 -0.123 1.00 0.00 H new ATOM 0 HA TYR A 857 7.011 -2.035 -1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 857 9.174 -1.633 -0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 857 8.756 -0.547 0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 857 8.014 -4.186 -0.235 1.00 0.00 H new ATOM 0 HD2 TYR A 857 9.810 -1.237 2.321 1.00 0.00 H new ATOM 0 HE1 TYR A 857 8.575 -5.954 1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 857 10.372 -3.005 3.967 1.00 0.00 H new ATOM 0 HH TYR A 857 10.279 -5.165 4.466 1.00 0.00 H new ATOM 359 N LEU A 858 5.292 -3.136 -0.042 1.00 0.00 N ATOM 360 CA LEU A 858 4.418 -3.934 0.794 1.00 0.00 C ATOM 361 C LEU A 858 5.126 -5.217 1.205 1.00 0.00 C ATOM 362 O LEU A 858 5.394 -6.076 0.368 1.00 0.00 O ATOM 363 CB LEU A 858 3.133 -4.246 0.034 1.00 0.00 C ATOM 364 CG LEU A 858 2.149 -4.948 0.965 1.00 0.00 C ATOM 365 CD1 LEU A 858 2.553 -4.699 2.415 1.00 0.00 C ATOM 366 CD2 LEU A 858 0.744 -4.401 0.727 1.00 0.00 C ATOM 0 H LEU A 858 5.132 -3.248 -1.043 1.00 0.00 H new ATOM 0 HA LEU A 858 4.165 -3.377 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 858 2.693 -3.326 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 858 3.351 -4.879 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 858 2.161 -6.019 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 858 1.850 -5.201 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 858 3.556 -5.090 2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 858 2.542 -3.628 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 858 0.041 -4.902 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 858 0.732 -3.330 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 858 0.455 -4.580 -0.309 1.00 0.00 H new ATOM 378 N PRO A 859 5.429 -5.346 2.499 1.00 0.00 N ATOM 379 CA PRO A 859 6.098 -6.495 3.070 1.00 0.00 C ATOM 380 C PRO A 859 5.142 -7.678 3.103 1.00 0.00 C ATOM 381 O PRO A 859 3.948 -7.508 3.339 1.00 0.00 O ATOM 382 CB PRO A 859 6.482 -6.062 4.483 1.00 0.00 C ATOM 383 CG PRO A 859 5.384 -5.061 4.840 1.00 0.00 C ATOM 384 CD PRO A 859 5.128 -4.356 3.510 1.00 0.00 C ATOM 0 HA PRO A 859 6.970 -6.807 2.496 1.00 0.00 H new ATOM 0 HB2 PRO A 859 6.501 -6.905 5.173 1.00 0.00 H new ATOM 0 HB3 PRO A 859 7.471 -5.605 4.511 1.00 0.00 H new ATOM 0 HG2 PRO A 859 4.489 -5.558 5.214 1.00 0.00 H new ATOM 0 HG3 PRO A 859 5.707 -4.363 5.613 1.00 0.00 H new ATOM 0 HD2 PRO A 859 4.095 -4.017 3.435 1.00 0.00 H new ATOM 0 HD3 PRO A 859 5.761 -3.475 3.401 1.00 0.00 H new ATOM 392 N PRO A 860 5.670 -8.881 2.864 1.00 0.00 N ATOM 393 CA PRO A 860 4.915 -10.116 2.854 1.00 0.00 C ATOM 394 C PRO A 860 4.530 -10.490 4.278 1.00 0.00 C ATOM 395 O PRO A 860 3.586 -11.248 4.489 1.00 0.00 O ATOM 396 CB PRO A 860 5.865 -11.150 2.254 1.00 0.00 C ATOM 397 CG PRO A 860 7.239 -10.632 2.675 1.00 0.00 C ATOM 398 CD PRO A 860 7.069 -9.118 2.582 1.00 0.00 C ATOM 0 HA PRO A 860 3.989 -10.044 2.283 1.00 0.00 H new ATOM 0 HB2 PRO A 860 5.673 -12.150 2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 860 5.769 -11.206 1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 860 7.499 -10.949 3.685 1.00 0.00 H new ATOM 0 HG3 PRO A 860 8.028 -10.992 2.014 1.00 0.00 H new ATOM 0 HD2 PRO A 860 7.709 -8.604 3.299 1.00 0.00 H new ATOM 0 HD3 PRO A 860 7.340 -8.750 1.592 1.00 0.00 H new ATOM 406 N SER A 861 5.266 -9.957 5.257 1.00 0.00 N ATOM 407 CA SER A 861 4.997 -10.239 6.653 1.00 0.00 C ATOM 408 C SER A 861 3.802 -9.422 7.124 1.00 0.00 C ATOM 409 O SER A 861 3.245 -9.689 8.187 1.00 0.00 O ATOM 410 CB SER A 861 6.235 -9.913 7.483 1.00 0.00 C ATOM 411 OG SER A 861 6.731 -11.096 8.070 1.00 0.00 O ATOM 0 H SER A 861 6.053 -9.327 5.099 1.00 0.00 H new ATOM 0 HA SER A 861 4.760 -11.296 6.776 1.00 0.00 H new ATOM 0 HB2 SER A 861 6.999 -9.459 6.853 1.00 0.00 H new ATOM 0 HB3 SER A 861 5.987 -9.187 8.257 1.00 0.00 H new ATOM 0 HG SER A 861 7.527 -10.888 8.602 1.00 0.00 H new ATOM 417 N THR A 862 3.407 -8.425 6.329 1.00 0.00 N ATOM 418 CA THR A 862 2.280 -7.580 6.670 1.00 0.00 C ATOM 419 C THR A 862 0.989 -8.381 6.592 1.00 0.00 C ATOM 420 O THR A 862 0.824 -9.215 5.704 1.00 0.00 O ATOM 421 CB THR A 862 2.234 -6.387 5.720 1.00 0.00 C ATOM 422 OG1 THR A 862 2.220 -5.192 6.467 1.00 0.00 O ATOM 423 CG2 THR A 862 0.974 -6.467 4.864 1.00 0.00 C ATOM 0 H THR A 862 3.857 -8.190 5.445 1.00 0.00 H new ATOM 0 HA THR A 862 2.393 -7.212 7.690 1.00 0.00 H new ATOM 0 HB THR A 862 3.113 -6.402 5.075 1.00 0.00 H new ATOM 0 HG1 THR A 862 1.405 -4.688 6.263 1.00 0.00 H new ATOM 0 HG21 THR A 862 0.941 -5.615 4.185 1.00 0.00 H new ATOM 0 HG22 THR A 862 0.985 -7.391 4.286 1.00 0.00 H new ATOM 0 HG23 THR A 862 0.095 -6.452 5.508 1.00 0.00 H new ATOM 431 N PRO A 863 0.070 -8.126 7.527 1.00 0.00 N ATOM 432 CA PRO A 863 -1.215 -8.787 7.610 1.00 0.00 C ATOM 433 C PRO A 863 -2.116 -8.292 6.488 1.00 0.00 C ATOM 434 O PRO A 863 -2.126 -7.103 6.176 1.00 0.00 O ATOM 435 CB PRO A 863 -1.771 -8.390 8.976 1.00 0.00 C ATOM 436 CG PRO A 863 -1.159 -7.009 9.202 1.00 0.00 C ATOM 437 CD PRO A 863 0.231 -7.154 8.586 1.00 0.00 C ATOM 0 HA PRO A 863 -1.144 -9.870 7.506 1.00 0.00 H new ATOM 0 HB2 PRO A 863 -2.860 -8.354 8.974 1.00 0.00 H new ATOM 0 HB3 PRO A 863 -1.476 -9.095 9.753 1.00 0.00 H new ATOM 0 HG2 PRO A 863 -1.738 -6.225 8.715 1.00 0.00 H new ATOM 0 HG3 PRO A 863 -1.108 -6.757 10.261 1.00 0.00 H new ATOM 0 HD2 PRO A 863 0.592 -6.202 8.197 1.00 0.00 H new ATOM 0 HD3 PRO A 863 0.957 -7.492 9.325 1.00 0.00 H new ATOM 445 N ASP A 864 -2.874 -9.208 5.881 1.00 0.00 N ATOM 446 CA ASP A 864 -3.772 -8.861 4.797 1.00 0.00 C ATOM 447 C ASP A 864 -2.979 -8.681 3.511 1.00 0.00 C ATOM 448 O ASP A 864 -3.555 -8.416 2.457 1.00 0.00 O ATOM 449 CB ASP A 864 -4.526 -7.583 5.152 1.00 0.00 C ATOM 450 CG ASP A 864 -5.994 -7.693 4.768 1.00 0.00 C ATOM 451 OD1 ASP A 864 -6.266 -8.367 3.751 1.00 0.00 O ATOM 452 OD2 ASP A 864 -6.818 -7.102 5.500 1.00 0.00 O ATOM 0 H ASP A 864 -2.878 -10.197 6.129 1.00 0.00 H new ATOM 0 HA ASP A 864 -4.495 -9.663 4.646 1.00 0.00 H new ATOM 0 HB2 ASP A 864 -4.439 -7.390 6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 864 -4.074 -6.735 4.638 1.00 0.00 H new ATOM 457 N PHE A 865 -1.655 -8.824 3.597 1.00 0.00 N ATOM 458 CA PHE A 865 -0.794 -8.676 2.440 1.00 0.00 C ATOM 459 C PHE A 865 -1.440 -9.335 1.229 1.00 0.00 C ATOM 460 O PHE A 865 -1.549 -8.720 0.170 1.00 0.00 O ATOM 461 CB PHE A 865 0.566 -9.301 2.736 1.00 0.00 C ATOM 462 CG PHE A 865 1.567 -9.124 1.620 1.00 0.00 C ATOM 463 CD1 PHE A 865 2.208 -7.892 1.443 1.00 0.00 C ATOM 464 CD2 PHE A 865 1.852 -10.191 0.759 1.00 0.00 C ATOM 465 CE1 PHE A 865 3.134 -7.727 0.407 1.00 0.00 C ATOM 466 CE2 PHE A 865 2.778 -10.025 -0.278 1.00 0.00 C ATOM 467 CZ PHE A 865 3.419 -8.794 -0.454 1.00 0.00 C ATOM 0 H PHE A 865 -1.162 -9.043 4.463 1.00 0.00 H new ATOM 0 HA PHE A 865 -0.652 -7.618 2.220 1.00 0.00 H new ATOM 0 HB2 PHE A 865 0.969 -8.860 3.648 1.00 0.00 H new ATOM 0 HB3 PHE A 865 0.433 -10.366 2.929 1.00 0.00 H new ATOM 0 HD1 PHE A 865 1.988 -7.069 2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 865 1.358 -11.142 0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 865 3.629 -6.777 0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 865 2.998 -10.848 -0.942 1.00 0.00 H new ATOM 0 HZ PHE A 865 4.134 -8.667 -1.254 1.00 0.00 H new ATOM 477 N SER A 866 -1.868 -10.589 1.387 1.00 0.00 N ATOM 478 CA SER A 866 -2.499 -11.322 0.309 1.00 0.00 C ATOM 479 C SER A 866 -3.269 -10.361 -0.587 1.00 0.00 C ATOM 480 O SER A 866 -3.301 -10.534 -1.804 1.00 0.00 O ATOM 481 CB SER A 866 -3.430 -12.381 0.891 1.00 0.00 C ATOM 482 OG SER A 866 -3.646 -13.394 -0.066 1.00 0.00 O ATOM 0 H SER A 866 -1.785 -11.112 2.258 1.00 0.00 H new ATOM 0 HA SER A 866 -1.737 -11.818 -0.293 1.00 0.00 H new ATOM 0 HB2 SER A 866 -2.994 -12.807 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 866 -4.379 -11.928 1.178 1.00 0.00 H new ATOM 0 HG SER A 866 -4.243 -14.075 0.308 1.00 0.00 H new ATOM 488 N ARG A 867 -3.889 -9.346 0.018 1.00 0.00 N ATOM 489 CA ARG A 867 -4.654 -8.365 -0.725 1.00 0.00 C ATOM 490 C ARG A 867 -3.821 -7.107 -0.926 1.00 0.00 C ATOM 491 O ARG A 867 -3.586 -6.691 -2.058 1.00 0.00 O ATOM 492 CB ARG A 867 -5.941 -8.046 0.031 1.00 0.00 C ATOM 493 CG ARG A 867 -6.605 -9.346 0.476 1.00 0.00 C ATOM 494 CD ARG A 867 -7.141 -10.088 -0.745 1.00 0.00 C ATOM 495 NE ARG A 867 -7.579 -11.437 -0.389 1.00 0.00 N ATOM 496 CZ ARG A 867 -8.131 -12.278 -1.274 1.00 0.00 C ATOM 497 NH1 ARG A 867 -8.301 -11.895 -2.547 1.00 0.00 N ATOM 498 NH2 ARG A 867 -8.513 -13.503 -0.887 1.00 0.00 N ATOM 0 H ARG A 867 -3.871 -9.189 1.026 1.00 0.00 H new ATOM 0 HA ARG A 867 -4.913 -8.766 -1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -5.721 -7.422 0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -6.619 -7.479 -0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -5.887 -9.970 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -7.417 -9.133 1.171 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -7.975 -9.533 -1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -6.367 -10.143 -1.510 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.459 -11.751 0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -8.010 -10.963 -2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -8.721 -12.535 -3.220 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -8.384 -13.795 0.082 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -8.933 -14.143 -1.561 1.00 0.00 H new ATOM 512 N LEU A 868 -3.375 -6.501 0.177 1.00 0.00 N ATOM 513 CA LEU A 868 -2.572 -5.296 0.117 1.00 0.00 C ATOM 514 C LEU A 868 -1.792 -5.260 -1.189 1.00 0.00 C ATOM 515 O LEU A 868 -1.775 -4.242 -1.877 1.00 0.00 O ATOM 516 CB LEU A 868 -1.625 -5.256 1.313 1.00 0.00 C ATOM 517 CG LEU A 868 -2.424 -4.989 2.585 1.00 0.00 C ATOM 518 CD1 LEU A 868 -1.553 -5.279 3.804 1.00 0.00 C ATOM 519 CD2 LEU A 868 -2.866 -3.528 2.611 1.00 0.00 C ATOM 0 H LEU A 868 -3.562 -6.834 1.123 1.00 0.00 H new ATOM 0 HA LEU A 868 -3.221 -4.421 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 868 -1.090 -6.202 1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 868 -0.876 -4.477 1.171 1.00 0.00 H new ATOM 0 HG LEU A 868 -3.302 -5.635 2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 868 -2.124 -5.088 4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 868 -1.238 -6.322 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 868 -0.675 -4.634 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 868 -3.437 -3.337 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 868 -1.988 -2.882 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 868 -3.489 -3.321 1.741 1.00 0.00 H new ATOM 531 N ARG A 869 -1.145 -6.377 -1.531 1.00 0.00 N ATOM 532 CA ARG A 869 -0.367 -6.468 -2.750 1.00 0.00 C ATOM 533 C ARG A 869 -1.288 -6.371 -3.958 1.00 0.00 C ATOM 534 O ARG A 869 -1.466 -5.292 -4.519 1.00 0.00 O ATOM 535 CB ARG A 869 0.404 -7.785 -2.763 1.00 0.00 C ATOM 536 CG ARG A 869 1.895 -7.500 -2.918 1.00 0.00 C ATOM 537 CD ARG A 869 2.564 -8.666 -3.639 1.00 0.00 C ATOM 538 NE ARG A 869 2.037 -9.947 -3.168 1.00 0.00 N ATOM 539 CZ ARG A 869 2.566 -11.125 -3.526 1.00 0.00 C ATOM 540 NH1 ARG A 869 3.623 -11.163 -4.348 1.00 0.00 N ATOM 541 NH2 ARG A 869 2.037 -12.266 -3.061 1.00 0.00 N ATOM 0 H ARG A 869 -1.150 -7.230 -0.972 1.00 0.00 H new ATOM 0 HA ARG A 869 0.345 -5.644 -2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 869 0.222 -8.334 -1.839 1.00 0.00 H new ATOM 0 HB3 ARG A 869 0.056 -8.414 -3.582 1.00 0.00 H new ATOM 0 HG2 ARG A 869 2.043 -6.578 -3.480 1.00 0.00 H new ATOM 0 HG3 ARG A 869 2.352 -7.354 -1.939 1.00 0.00 H new ATOM 0 HD2 ARG A 869 2.402 -8.575 -4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 869 3.641 -8.630 -3.475 1.00 0.00 H new ATOM 0 HE ARG A 869 1.233 -9.943 -2.541 1.00 0.00 H new ATOM 0 HH11 ARG A 869 4.026 -10.295 -4.702 1.00 0.00 H new ATOM 0 HH12 ARG A 869 4.025 -12.060 -4.620 1.00 0.00 H new ATOM 0 HH21 ARG A 869 1.232 -12.237 -2.435 1.00 0.00 H new ATOM 0 HH22 ARG A 869 2.439 -13.163 -3.333 1.00 0.00 H new ATOM 555 N ARG A 870 -1.873 -7.503 -4.357 1.00 0.00 N ATOM 556 CA ARG A 870 -2.770 -7.540 -5.494 1.00 0.00 C ATOM 557 C ARG A 870 -3.728 -6.358 -5.434 1.00 0.00 C ATOM 558 O ARG A 870 -4.242 -5.921 -6.461 1.00 0.00 O ATOM 559 CB ARG A 870 -3.538 -8.858 -5.492 1.00 0.00 C ATOM 560 CG ARG A 870 -4.165 -9.084 -6.864 1.00 0.00 C ATOM 561 CD ARG A 870 -3.131 -9.704 -7.800 1.00 0.00 C ATOM 562 NE ARG A 870 -3.526 -9.543 -9.200 1.00 0.00 N ATOM 563 CZ ARG A 870 -3.241 -8.446 -9.913 1.00 0.00 C ATOM 564 NH1 ARG A 870 -2.565 -7.436 -9.348 1.00 0.00 N ATOM 565 NH2 ARG A 870 -3.631 -8.357 -11.192 1.00 0.00 N ATOM 0 H ARG A 870 -1.735 -8.405 -3.901 1.00 0.00 H new ATOM 0 HA ARG A 870 -2.196 -7.470 -6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 870 -2.867 -9.682 -5.247 1.00 0.00 H new ATOM 0 HB3 ARG A 870 -4.312 -8.839 -4.725 1.00 0.00 H new ATOM 0 HG2 ARG A 870 -5.031 -9.740 -6.776 1.00 0.00 H new ATOM 0 HG3 ARG A 870 -4.521 -8.139 -7.273 1.00 0.00 H new ATOM 0 HD2 ARG A 870 -2.160 -9.236 -7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 870 -3.017 -10.763 -7.570 1.00 0.00 H new ATOM 0 HE ARG A 870 -4.040 -10.299 -9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 870 -2.267 -7.503 -8.375 1.00 0.00 H new ATOM 0 HH12 ARG A 870 -2.348 -6.600 -9.891 1.00 0.00 H new ATOM 0 HH21 ARG A 870 -4.145 -9.125 -11.623 1.00 0.00 H new ATOM 0 HH22 ARG A 870 -3.414 -7.521 -11.734 1.00 0.00 H new ATOM 579 N TYR A 871 -3.967 -5.841 -4.227 1.00 0.00 N ATOM 580 CA TYR A 871 -4.861 -4.716 -4.042 1.00 0.00 C ATOM 581 C TYR A 871 -4.143 -3.422 -4.398 1.00 0.00 C ATOM 582 O TYR A 871 -4.482 -2.773 -5.384 1.00 0.00 O ATOM 583 CB TYR A 871 -5.346 -4.686 -2.595 1.00 0.00 C ATOM 584 CG TYR A 871 -6.479 -3.716 -2.359 1.00 0.00 C ATOM 585 CD1 TYR A 871 -7.551 -3.661 -3.258 1.00 0.00 C ATOM 586 CD2 TYR A 871 -6.457 -2.873 -1.242 1.00 0.00 C ATOM 587 CE1 TYR A 871 -8.603 -2.763 -3.039 1.00 0.00 C ATOM 588 CE2 TYR A 871 -7.509 -1.974 -1.024 1.00 0.00 C ATOM 589 CZ TYR A 871 -8.581 -1.919 -1.922 1.00 0.00 C ATOM 590 OH TYR A 871 -9.606 -1.044 -1.708 1.00 0.00 O ATOM 0 H TYR A 871 -3.548 -6.191 -3.365 1.00 0.00 H new ATOM 0 HA TYR A 871 -5.725 -4.821 -4.699 1.00 0.00 H new ATOM 0 HB2 TYR A 871 -5.669 -5.687 -2.308 1.00 0.00 H new ATOM 0 HB3 TYR A 871 -4.511 -4.422 -1.946 1.00 0.00 H new ATOM 0 HD1 TYR A 871 -7.567 -4.311 -4.120 1.00 0.00 H new ATOM 0 HD2 TYR A 871 -5.630 -2.916 -0.549 1.00 0.00 H new ATOM 0 HE1 TYR A 871 -9.431 -2.721 -3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 871 -7.493 -1.323 -0.162 1.00 0.00 H new ATOM 0 HH TYR A 871 -9.967 -1.177 -0.807 1.00 0.00 H new ATOM 600 N PHE A 872 -3.147 -3.048 -3.590 1.00 0.00 N ATOM 601 CA PHE A 872 -2.389 -1.836 -3.826 1.00 0.00 C ATOM 602 C PHE A 872 -2.002 -1.746 -5.295 1.00 0.00 C ATOM 603 O PHE A 872 -2.729 -1.163 -6.096 1.00 0.00 O ATOM 604 CB PHE A 872 -1.148 -1.833 -2.937 1.00 0.00 C ATOM 605 CG PHE A 872 -0.365 -0.543 -2.999 1.00 0.00 C ATOM 606 CD1 PHE A 872 0.185 -0.117 -4.214 1.00 0.00 C ATOM 607 CD2 PHE A 872 -0.188 0.224 -1.842 1.00 0.00 C ATOM 608 CE1 PHE A 872 0.913 1.078 -4.271 1.00 0.00 C ATOM 609 CE2 PHE A 872 0.540 1.419 -1.899 1.00 0.00 C ATOM 610 CZ PHE A 872 1.090 1.846 -3.114 1.00 0.00 C ATOM 0 H PHE A 872 -2.853 -3.575 -2.767 1.00 0.00 H new ATOM 0 HA PHE A 872 -2.999 -0.967 -3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -1.449 -2.017 -1.906 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -0.498 -2.657 -3.231 1.00 0.00 H new ATOM 0 HD1 PHE A 872 0.048 -0.709 -5.107 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -0.613 -0.106 -0.905 1.00 0.00 H new ATOM 0 HE1 PHE A 872 1.338 1.407 -5.208 1.00 0.00 H new ATOM 0 HE2 PHE A 872 0.677 2.011 -1.006 1.00 0.00 H new ATOM 0 HZ PHE A 872 1.651 2.768 -3.158 1.00 0.00 H new ATOM 620 N VAL A 873 -0.852 -2.325 -5.647 1.00 0.00 N ATOM 621 CA VAL A 873 -0.374 -2.308 -7.015 1.00 0.00 C ATOM 622 C VAL A 873 -1.557 -2.290 -7.973 1.00 0.00 C ATOM 623 O VAL A 873 -1.508 -1.631 -9.010 1.00 0.00 O ATOM 624 CB VAL A 873 0.504 -3.531 -7.262 1.00 0.00 C ATOM 625 CG1 VAL A 873 -0.013 -4.704 -6.435 1.00 0.00 C ATOM 626 CG2 VAL A 873 0.463 -3.896 -8.743 1.00 0.00 C ATOM 0 H VAL A 873 -0.238 -2.812 -4.994 1.00 0.00 H new ATOM 0 HA VAL A 873 0.221 -1.411 -7.186 1.00 0.00 H new ATOM 0 HB VAL A 873 1.530 -3.306 -6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 873 0.614 -5.578 -6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 873 0.016 -4.444 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 873 -1.039 -4.929 -6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 873 1.090 -4.770 -8.920 1.00 0.00 H new ATOM 0 HG22 VAL A 873 -0.563 -4.121 -9.034 1.00 0.00 H new ATOM 0 HG23 VAL A 873 0.833 -3.058 -9.335 1.00 0.00 H new ATOM 636 N ALA A 874 -2.621 -3.016 -7.623 1.00 0.00 N ATOM 637 CA ALA A 874 -3.808 -3.080 -8.452 1.00 0.00 C ATOM 638 C ALA A 874 -4.374 -1.682 -8.651 1.00 0.00 C ATOM 639 O ALA A 874 -4.476 -1.206 -9.780 1.00 0.00 O ATOM 640 CB ALA A 874 -4.839 -3.993 -7.793 1.00 0.00 C ATOM 0 H ALA A 874 -2.676 -3.567 -6.766 1.00 0.00 H new ATOM 0 HA ALA A 874 -3.552 -3.489 -9.430 1.00 0.00 H new ATOM 0 HB1 ALA A 874 -5.732 -4.042 -8.416 1.00 0.00 H new ATOM 0 HB2 ALA A 874 -4.420 -4.993 -7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 874 -5.102 -3.597 -6.812 1.00 0.00 H new ATOM 646 N PHE A 875 -4.744 -1.023 -7.550 1.00 0.00 N ATOM 647 CA PHE A 875 -5.297 0.315 -7.612 1.00 0.00 C ATOM 648 C PHE A 875 -4.753 1.043 -8.833 1.00 0.00 C ATOM 649 O PHE A 875 -5.515 1.622 -9.604 1.00 0.00 O ATOM 650 CB PHE A 875 -4.947 1.068 -6.332 1.00 0.00 C ATOM 651 CG PHE A 875 -5.387 0.357 -5.074 1.00 0.00 C ATOM 652 CD1 PHE A 875 -5.956 -0.920 -5.155 1.00 0.00 C ATOM 653 CD2 PHE A 875 -5.229 0.975 -3.828 1.00 0.00 C ATOM 654 CE1 PHE A 875 -6.366 -1.578 -3.990 1.00 0.00 C ATOM 655 CE2 PHE A 875 -5.640 0.316 -2.663 1.00 0.00 C ATOM 656 CZ PHE A 875 -6.208 -0.960 -2.744 1.00 0.00 C ATOM 0 H PHE A 875 -4.667 -1.403 -6.607 1.00 0.00 H new ATOM 0 HA PHE A 875 -6.382 0.261 -7.701 1.00 0.00 H new ATOM 0 HB2 PHE A 875 -3.869 1.222 -6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 875 -5.409 2.055 -6.363 1.00 0.00 H new ATOM 0 HD1 PHE A 875 -6.078 -1.397 -6.116 1.00 0.00 H new ATOM 0 HD2 PHE A 875 -4.790 1.960 -3.765 1.00 0.00 H new ATOM 0 HE1 PHE A 875 -6.804 -2.563 -4.052 1.00 0.00 H new ATOM 0 HE2 PHE A 875 -5.519 0.793 -1.702 1.00 0.00 H new ATOM 0 HZ PHE A 875 -6.525 -1.468 -1.845 1.00 0.00 H new ATOM 666 N ASP A 876 -3.430 1.014 -9.007 1.00 0.00 N ATOM 667 CA ASP A 876 -2.792 1.670 -10.130 1.00 0.00 C ATOM 668 C ASP A 876 -1.397 2.132 -9.733 1.00 0.00 C ATOM 669 O ASP A 876 -0.766 2.899 -10.456 1.00 0.00 O ATOM 670 CB ASP A 876 -3.646 2.853 -10.579 1.00 0.00 C ATOM 671 CG ASP A 876 -4.433 2.509 -11.835 1.00 0.00 C ATOM 672 OD1 ASP A 876 -4.274 1.364 -12.309 1.00 0.00 O ATOM 673 OD2 ASP A 876 -5.180 3.399 -12.298 1.00 0.00 O ATOM 0 H ASP A 876 -2.784 0.539 -8.376 1.00 0.00 H new ATOM 0 HA ASP A 876 -2.699 0.970 -10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 876 -4.333 3.135 -9.781 1.00 0.00 H new ATOM 0 HB3 ASP A 876 -3.008 3.716 -10.770 1.00 0.00 H new ATOM 678 N GLY A 877 -0.916 1.663 -8.579 1.00 0.00 N ATOM 679 CA GLY A 877 0.400 2.033 -8.097 1.00 0.00 C ATOM 680 C GLY A 877 1.418 0.966 -8.473 1.00 0.00 C ATOM 681 O GLY A 877 1.309 0.344 -9.527 1.00 0.00 O ATOM 0 H GLY A 877 -1.425 1.026 -7.967 1.00 0.00 H new ATOM 0 HA2 GLY A 877 0.694 2.992 -8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 877 0.377 2.158 -7.014 1.00 0.00 H new ATOM 685 N ASP A 878 2.413 0.757 -7.607 1.00 0.00 N ATOM 686 CA ASP A 878 3.445 -0.230 -7.852 1.00 0.00 C ATOM 687 C ASP A 878 4.011 -0.723 -6.528 1.00 0.00 C ATOM 688 O ASP A 878 3.901 -0.041 -5.512 1.00 0.00 O ATOM 689 CB ASP A 878 4.543 0.387 -8.714 1.00 0.00 C ATOM 690 CG ASP A 878 4.432 -0.086 -10.156 1.00 0.00 C ATOM 691 OD1 ASP A 878 3.693 -1.070 -10.376 1.00 0.00 O ATOM 692 OD2 ASP A 878 5.088 0.546 -11.013 1.00 0.00 O ATOM 0 H ASP A 878 2.518 1.265 -6.729 1.00 0.00 H new ATOM 0 HA ASP A 878 3.021 -1.082 -8.383 1.00 0.00 H new ATOM 0 HB2 ASP A 878 4.472 1.474 -8.677 1.00 0.00 H new ATOM 0 HB3 ASP A 878 5.520 0.118 -8.313 1.00 0.00 H new ATOM 697 N LEU A 879 4.618 -1.912 -6.542 1.00 0.00 N ATOM 698 CA LEU A 879 5.196 -2.489 -5.345 1.00 0.00 C ATOM 699 C LEU A 879 6.594 -3.010 -5.646 1.00 0.00 C ATOM 700 O LEU A 879 6.794 -3.730 -6.622 1.00 0.00 O ATOM 701 CB LEU A 879 4.299 -3.614 -4.838 1.00 0.00 C ATOM 702 CG LEU A 879 3.394 -3.082 -3.730 1.00 0.00 C ATOM 703 CD1 LEU A 879 2.953 -1.662 -4.070 1.00 0.00 C ATOM 704 CD2 LEU A 879 2.167 -3.980 -3.600 1.00 0.00 C ATOM 0 H LEU A 879 4.718 -2.489 -7.377 1.00 0.00 H new ATOM 0 HA LEU A 879 5.273 -1.726 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 879 3.697 -4.010 -5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 879 4.907 -4.437 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 879 3.940 -3.075 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 879 2.307 -1.282 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 879 3.830 -1.021 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 879 2.407 -1.667 -5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 879 1.520 -3.600 -2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 879 1.620 -3.988 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 879 2.483 -4.994 -3.355 1.00 0.00 H new ATOM 716 N VAL A 880 7.564 -2.643 -4.805 1.00 0.00 N ATOM 717 CA VAL A 880 8.936 -3.073 -4.984 1.00 0.00 C ATOM 718 C VAL A 880 9.333 -4.012 -3.854 1.00 0.00 C ATOM 719 O VAL A 880 8.968 -3.789 -2.702 1.00 0.00 O ATOM 720 CB VAL A 880 9.850 -1.852 -5.019 1.00 0.00 C ATOM 721 CG1 VAL A 880 10.770 -1.940 -6.234 1.00 0.00 C ATOM 722 CG2 VAL A 880 9.004 -0.586 -5.113 1.00 0.00 C ATOM 0 H VAL A 880 7.414 -2.046 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 880 9.033 -3.610 -5.927 1.00 0.00 H new ATOM 0 HB VAL A 880 10.450 -1.821 -4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 880 11.423 -1.068 -6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 880 11.375 -2.845 -6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 880 10.170 -1.971 -7.143 1.00 0.00 H new ATOM 0 HG21 VAL A 880 9.657 0.287 -5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 880 8.404 -0.616 -6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 880 8.346 -0.523 -4.246 1.00 0.00 H new ATOM 732 N GLN A 881 10.083 -5.066 -4.186 1.00 0.00 N ATOM 733 CA GLN A 881 10.523 -6.031 -3.199 1.00 0.00 C ATOM 734 C GLN A 881 11.505 -5.376 -2.238 1.00 0.00 C ATOM 735 O GLN A 881 12.432 -4.691 -2.665 1.00 0.00 O ATOM 736 CB GLN A 881 11.170 -7.219 -3.906 1.00 0.00 C ATOM 737 CG GLN A 881 10.251 -7.711 -5.020 1.00 0.00 C ATOM 738 CD GLN A 881 11.005 -7.817 -6.338 1.00 0.00 C ATOM 739 OE1 GLN A 881 11.280 -6.807 -6.981 1.00 0.00 O ATOM 740 NE2 GLN A 881 11.337 -9.046 -6.740 1.00 0.00 N ATOM 0 H GLN A 881 10.394 -5.265 -5.137 1.00 0.00 H new ATOM 0 HA GLN A 881 9.667 -6.387 -2.625 1.00 0.00 H new ATOM 0 HB2 GLN A 881 12.136 -6.928 -4.319 1.00 0.00 H new ATOM 0 HB3 GLN A 881 11.357 -8.022 -3.193 1.00 0.00 H new ATOM 0 HG2 GLN A 881 9.838 -8.684 -4.753 1.00 0.00 H new ATOM 0 HG3 GLN A 881 9.410 -7.027 -5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 881 11.086 -9.854 -6.170 1.00 0.00 H new ATOM 0 HE22 GLN A 881 11.842 -9.177 -7.617 1.00 0.00 H new ATOM 749 N GLU A 882 11.301 -5.588 -0.936 1.00 0.00 N ATOM 750 CA GLU A 882 12.169 -5.019 0.075 1.00 0.00 C ATOM 751 C GLU A 882 13.556 -4.781 -0.506 1.00 0.00 C ATOM 752 O GLU A 882 13.955 -3.639 -0.720 1.00 0.00 O ATOM 753 CB GLU A 882 12.239 -5.961 1.273 1.00 0.00 C ATOM 754 CG GLU A 882 13.075 -5.320 2.377 1.00 0.00 C ATOM 755 CD GLU A 882 13.812 -6.378 3.184 1.00 0.00 C ATOM 756 OE1 GLU A 882 14.030 -7.473 2.621 1.00 0.00 O ATOM 757 OE2 GLU A 882 14.145 -6.073 4.350 1.00 0.00 O ATOM 0 H GLU A 882 10.537 -6.153 -0.565 1.00 0.00 H new ATOM 0 HA GLU A 882 11.767 -4.061 0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 882 11.235 -6.175 1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 882 12.679 -6.913 0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 882 13.792 -4.626 1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 882 12.430 -4.738 3.036 1.00 0.00 H new ATOM 764 N PHE A 883 14.291 -5.866 -0.762 1.00 0.00 N ATOM 765 CA PHE A 883 15.626 -5.769 -1.316 1.00 0.00 C ATOM 766 C PHE A 883 15.561 -5.185 -2.721 1.00 0.00 C ATOM 767 O PHE A 883 16.531 -5.260 -3.472 1.00 0.00 O ATOM 768 CB PHE A 883 16.270 -7.152 -1.335 1.00 0.00 C ATOM 769 CG PHE A 883 15.666 -8.085 -2.357 1.00 0.00 C ATOM 770 CD1 PHE A 883 14.579 -8.896 -2.008 1.00 0.00 C ATOM 771 CD2 PHE A 883 16.193 -8.141 -3.652 1.00 0.00 C ATOM 772 CE1 PHE A 883 14.019 -9.762 -2.955 1.00 0.00 C ATOM 773 CE2 PHE A 883 15.634 -9.007 -4.599 1.00 0.00 C ATOM 774 CZ PHE A 883 14.547 -9.818 -4.251 1.00 0.00 C ATOM 0 H PHE A 883 13.975 -6.821 -0.591 1.00 0.00 H new ATOM 0 HA PHE A 883 16.233 -5.108 -0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 883 17.336 -7.045 -1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 883 16.177 -7.601 -0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 883 14.173 -8.853 -1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 883 17.031 -7.516 -3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 883 13.180 -10.387 -2.686 1.00 0.00 H new ATOM 0 HE2 PHE A 883 16.041 -9.050 -5.598 1.00 0.00 H new ATOM 0 HZ PHE A 883 14.116 -10.486 -4.982 1.00 0.00 H new ATOM 784 N ASP A 884 14.414 -4.601 -3.074 1.00 0.00 N ATOM 785 CA ASP A 884 14.228 -4.010 -4.384 1.00 0.00 C ATOM 786 C ASP A 884 13.357 -2.768 -4.269 1.00 0.00 C ATOM 787 O ASP A 884 12.135 -2.852 -4.376 1.00 0.00 O ATOM 788 CB ASP A 884 13.590 -5.034 -5.318 1.00 0.00 C ATOM 789 CG ASP A 884 14.525 -6.212 -5.553 1.00 0.00 C ATOM 790 OD1 ASP A 884 15.751 -5.995 -5.439 1.00 0.00 O ATOM 791 OD2 ASP A 884 13.997 -7.307 -5.843 1.00 0.00 O ATOM 0 H ASP A 884 13.601 -4.529 -2.462 1.00 0.00 H new ATOM 0 HA ASP A 884 15.194 -3.716 -4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 884 12.653 -5.389 -4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 884 13.347 -4.562 -6.270 1.00 0.00 H new ATOM 796 N MET A 885 13.987 -1.611 -4.050 1.00 0.00 N ATOM 797 CA MET A 885 13.264 -0.362 -3.920 1.00 0.00 C ATOM 798 C MET A 885 14.078 0.773 -4.525 1.00 0.00 C ATOM 799 O MET A 885 13.520 1.696 -5.114 1.00 0.00 O ATOM 800 CB MET A 885 12.975 -0.093 -2.446 1.00 0.00 C ATOM 801 CG MET A 885 14.024 -0.793 -1.586 1.00 0.00 C ATOM 802 SD MET A 885 13.583 -0.903 0.166 1.00 0.00 S ATOM 803 CE MET A 885 12.222 -2.091 0.048 1.00 0.00 C ATOM 0 H MET A 885 14.999 -1.523 -3.960 1.00 0.00 H new ATOM 0 HA MET A 885 12.318 -0.429 -4.457 1.00 0.00 H new ATOM 0 HB2 MET A 885 12.987 0.980 -2.252 1.00 0.00 H new ATOM 0 HB3 MET A 885 11.979 -0.453 -2.188 1.00 0.00 H new ATOM 0 HG2 MET A 885 14.185 -1.799 -1.974 1.00 0.00 H new ATOM 0 HG3 MET A 885 14.970 -0.260 -1.679 1.00 0.00 H new ATOM 0 HE1 MET A 885 12.347 -2.864 0.806 1.00 0.00 H new ATOM 0 HE2 MET A 885 11.275 -1.576 0.208 1.00 0.00 H new ATOM 0 HE3 MET A 885 12.223 -2.549 -0.941 1.00 0.00 H new ATOM 813 N THR A 886 15.403 0.703 -4.378 1.00 0.00 N ATOM 814 CA THR A 886 16.283 1.724 -4.911 1.00 0.00 C ATOM 815 C THR A 886 15.479 2.730 -5.721 1.00 0.00 C ATOM 816 O THR A 886 15.556 3.932 -5.476 1.00 0.00 O ATOM 817 CB THR A 886 17.356 1.068 -5.775 1.00 0.00 C ATOM 818 OG1 THR A 886 16.820 0.772 -7.045 1.00 0.00 O ATOM 819 CG2 THR A 886 17.828 -0.222 -5.109 1.00 0.00 C ATOM 0 H THR A 886 15.883 -0.055 -3.892 1.00 0.00 H new ATOM 0 HA THR A 886 16.768 2.254 -4.091 1.00 0.00 H new ATOM 0 HB THR A 886 18.200 1.749 -5.886 1.00 0.00 H new ATOM 0 HG1 THR A 886 17.509 0.352 -7.601 1.00 0.00 H new ATOM 0 HG21 THR A 886 18.595 -0.691 -5.726 1.00 0.00 H new ATOM 0 HG22 THR A 886 18.242 0.006 -4.127 1.00 0.00 H new ATOM 0 HG23 THR A 886 16.985 -0.904 -4.998 1.00 0.00 H new ATOM 827 N SER A 887 14.705 2.235 -6.690 1.00 0.00 N ATOM 828 CA SER A 887 13.891 3.092 -7.529 1.00 0.00 C ATOM 829 C SER A 887 12.474 3.158 -6.978 1.00 0.00 C ATOM 830 O SER A 887 11.690 4.016 -7.378 1.00 0.00 O ATOM 831 CB SER A 887 13.892 2.553 -8.956 1.00 0.00 C ATOM 832 OG SER A 887 14.747 3.340 -9.755 1.00 0.00 O ATOM 0 H SER A 887 14.631 1.241 -6.907 1.00 0.00 H new ATOM 0 HA SER A 887 14.304 4.101 -7.535 1.00 0.00 H new ATOM 0 HB2 SER A 887 14.223 1.515 -8.964 1.00 0.00 H new ATOM 0 HB3 SER A 887 12.881 2.568 -9.363 1.00 0.00 H new ATOM 0 HG SER A 887 14.749 2.993 -10.672 1.00 0.00 H new ATOM 838 N ALA A 888 12.146 2.249 -6.057 1.00 0.00 N ATOM 839 CA ALA A 888 10.828 2.209 -5.457 1.00 0.00 C ATOM 840 C ALA A 888 10.363 3.622 -5.140 1.00 0.00 C ATOM 841 O ALA A 888 11.122 4.577 -5.292 1.00 0.00 O ATOM 842 CB ALA A 888 10.872 1.357 -4.192 1.00 0.00 C ATOM 0 H ALA A 888 12.785 1.531 -5.715 1.00 0.00 H new ATOM 0 HA ALA A 888 10.119 1.763 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 888 9.881 1.326 -3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 888 11.187 0.345 -4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 888 11.580 1.791 -3.486 1.00 0.00 H new ATOM 848 N THR A 889 9.111 3.756 -4.697 1.00 0.00 N ATOM 849 CA THR A 889 8.556 5.052 -4.361 1.00 0.00 C ATOM 850 C THR A 889 8.094 5.059 -2.911 1.00 0.00 C ATOM 851 O THR A 889 8.393 5.990 -2.166 1.00 0.00 O ATOM 852 CB THR A 889 7.395 5.366 -5.301 1.00 0.00 C ATOM 853 OG1 THR A 889 7.261 6.764 -5.430 1.00 0.00 O ATOM 854 CG2 THR A 889 6.106 4.782 -4.729 1.00 0.00 C ATOM 0 H THR A 889 8.468 2.976 -4.565 1.00 0.00 H new ATOM 0 HA THR A 889 9.321 5.820 -4.479 1.00 0.00 H new ATOM 0 HB THR A 889 7.590 4.927 -6.280 1.00 0.00 H new ATOM 0 HG21 THR A 889 5.276 5.006 -5.400 1.00 0.00 H new ATOM 0 HG22 THR A 889 6.210 3.702 -4.628 1.00 0.00 H new ATOM 0 HG23 THR A 889 5.910 5.221 -3.751 1.00 0.00 H new ATOM 862 N HIS A 890 7.361 4.017 -2.511 1.00 0.00 N ATOM 863 CA HIS A 890 6.862 3.913 -1.155 1.00 0.00 C ATOM 864 C HIS A 890 7.276 2.579 -0.550 1.00 0.00 C ATOM 865 O HIS A 890 7.620 1.647 -1.273 1.00 0.00 O ATOM 866 CB HIS A 890 5.342 4.055 -1.161 1.00 0.00 C ATOM 867 CG HIS A 890 4.893 5.489 -1.225 1.00 0.00 C ATOM 868 ND1 HIS A 890 4.941 6.305 -2.332 1.00 0.00 N ATOM 869 CD2 HIS A 890 4.364 6.216 -0.193 1.00 0.00 C ATOM 870 CE1 HIS A 890 4.448 7.503 -1.968 1.00 0.00 C ATOM 871 NE2 HIS A 890 4.083 7.498 -0.674 1.00 0.00 N ATOM 0 HA HIS A 890 7.287 4.711 -0.547 1.00 0.00 H new ATOM 0 HB2 HIS A 890 4.934 3.512 -2.014 1.00 0.00 H new ATOM 0 HB3 HIS A 890 4.934 3.591 -0.263 1.00 0.00 H new ATOM 0 HD2 HIS A 890 4.194 5.862 0.813 1.00 0.00 H new ATOM 0 HE1 HIS A 890 4.358 8.354 -2.627 1.00 0.00 H new ATOM 0 HE2 HIS A 890 3.681 8.274 -0.148 1.00 0.00 H new ATOM 879 N VAL A 891 7.243 2.491 0.782 1.00 0.00 N ATOM 880 CA VAL A 891 7.614 1.275 1.477 1.00 0.00 C ATOM 881 C VAL A 891 6.775 1.127 2.739 1.00 0.00 C ATOM 882 O VAL A 891 6.659 2.066 3.523 1.00 0.00 O ATOM 883 CB VAL A 891 9.100 1.318 1.818 1.00 0.00 C ATOM 884 CG1 VAL A 891 9.920 1.108 0.548 1.00 0.00 C ATOM 885 CG2 VAL A 891 9.443 2.675 2.426 1.00 0.00 C ATOM 0 H VAL A 891 6.961 3.256 1.395 1.00 0.00 H new ATOM 0 HA VAL A 891 7.427 0.413 0.836 1.00 0.00 H new ATOM 0 HB VAL A 891 9.331 0.530 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 891 10.982 1.139 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 891 9.675 0.139 0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 891 9.689 1.896 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 891 10.505 2.706 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 891 9.212 3.463 1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 891 8.858 2.826 3.333 1.00 0.00 H new ATOM 895 N LEU A 892 6.190 -0.057 2.934 1.00 0.00 N ATOM 896 CA LEU A 892 5.367 -0.322 4.097 1.00 0.00 C ATOM 897 C LEU A 892 6.251 -0.648 5.292 1.00 0.00 C ATOM 898 O LEU A 892 7.021 -1.605 5.255 1.00 0.00 O ATOM 899 CB LEU A 892 4.418 -1.479 3.795 1.00 0.00 C ATOM 900 CG LEU A 892 3.046 -1.179 4.392 1.00 0.00 C ATOM 901 CD1 LEU A 892 2.051 -0.903 3.268 1.00 0.00 C ATOM 902 CD2 LEU A 892 2.573 -2.379 5.208 1.00 0.00 C ATOM 0 H LEU A 892 6.277 -0.846 2.293 1.00 0.00 H new ATOM 0 HA LEU A 892 4.777 0.562 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 892 4.334 -1.623 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 892 4.813 -2.406 4.211 1.00 0.00 H new ATOM 0 HG LEU A 892 3.114 -0.304 5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 892 1.071 -0.689 3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 892 2.389 -0.046 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 892 1.982 -1.777 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 892 1.593 -2.165 5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 892 2.504 -3.254 4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 892 3.283 -2.576 6.011 1.00 0.00 H new ATOM 914 N GLY A 893 6.140 0.151 6.356 1.00 0.00 N ATOM 915 CA GLY A 893 6.931 -0.060 7.552 1.00 0.00 C ATOM 916 C GLY A 893 8.408 -0.152 7.198 1.00 0.00 C ATOM 917 O GLY A 893 8.824 -1.067 6.491 1.00 0.00 O ATOM 0 H GLY A 893 5.507 0.949 6.405 1.00 0.00 H new ATOM 0 HA2 GLY A 893 6.768 0.759 8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 893 6.612 -0.975 8.051 1.00 0.00 H new ATOM 921 N SER A 894 9.202 0.800 7.693 1.00 0.00 N ATOM 922 CA SER A 894 10.627 0.820 7.428 1.00 0.00 C ATOM 923 C SER A 894 10.886 1.393 6.042 1.00 0.00 C ATOM 924 O SER A 894 9.977 1.467 5.218 1.00 0.00 O ATOM 925 CB SER A 894 11.184 -0.596 7.541 1.00 0.00 C ATOM 926 OG SER A 894 11.081 -1.036 8.877 1.00 0.00 O ATOM 0 H SER A 894 8.873 1.566 8.281 1.00 0.00 H new ATOM 0 HA SER A 894 11.128 1.453 8.160 1.00 0.00 H new ATOM 0 HB2 SER A 894 10.634 -1.268 6.882 1.00 0.00 H new ATOM 0 HB3 SER A 894 12.225 -0.615 7.220 1.00 0.00 H new ATOM 0 HG SER A 894 11.437 -1.946 8.950 1.00 0.00 H new ATOM 932 N ARG A 895 12.132 1.798 5.786 1.00 0.00 N ATOM 933 CA ARG A 895 12.506 2.361 4.505 1.00 0.00 C ATOM 934 C ARG A 895 13.888 1.865 4.106 1.00 0.00 C ATOM 935 O ARG A 895 14.171 1.694 2.922 1.00 0.00 O ATOM 936 CB ARG A 895 12.483 3.885 4.593 1.00 0.00 C ATOM 937 CG ARG A 895 13.316 4.337 5.789 1.00 0.00 C ATOM 938 CD ARG A 895 13.771 5.778 5.577 1.00 0.00 C ATOM 939 NE ARG A 895 14.022 6.443 6.856 1.00 0.00 N ATOM 940 CZ ARG A 895 13.876 7.764 7.028 1.00 0.00 C ATOM 941 NH1 ARG A 895 13.483 8.534 6.004 1.00 0.00 N ATOM 942 NH2 ARG A 895 14.123 8.315 8.224 1.00 0.00 N ATOM 0 H ARG A 895 12.896 1.742 6.459 1.00 0.00 H new ATOM 0 HA ARG A 895 11.794 2.043 3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 895 12.879 4.319 3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 895 11.457 4.239 4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 895 12.729 4.261 6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 895 14.181 3.685 5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 895 14.678 5.791 4.972 1.00 0.00 H new ATOM 0 HD3 ARG A 895 13.009 6.326 5.022 1.00 0.00 H new ATOM 0 HE ARG A 895 14.321 5.877 7.650 1.00 0.00 H new ATOM 0 HH11 ARG A 895 13.295 8.115 5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 895 13.372 9.539 6.135 1.00 0.00 H new ATOM 0 HH21 ARG A 895 14.422 7.729 9.003 1.00 0.00 H new ATOM 0 HH22 ARG A 895 14.012 9.320 8.355 1.00 0.00 H new ATOM 956 N ASP A 896 14.751 1.635 5.099 1.00 0.00 N ATOM 957 CA ASP A 896 16.097 1.161 4.847 1.00 0.00 C ATOM 958 C ASP A 896 16.215 0.689 3.405 1.00 0.00 C ATOM 959 O ASP A 896 16.765 1.394 2.562 1.00 0.00 O ATOM 960 CB ASP A 896 16.426 0.029 5.816 1.00 0.00 C ATOM 961 CG ASP A 896 17.564 -0.830 5.282 1.00 0.00 C ATOM 962 OD1 ASP A 896 18.515 -0.234 4.732 1.00 0.00 O ATOM 963 OD2 ASP A 896 17.461 -2.066 5.434 1.00 0.00 O ATOM 0 H ASP A 896 14.532 1.773 6.086 1.00 0.00 H new ATOM 0 HA ASP A 896 16.808 1.972 5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 896 16.702 0.444 6.786 1.00 0.00 H new ATOM 0 HB3 ASP A 896 15.542 -0.589 5.974 1.00 0.00 H new ATOM 968 N LYS A 897 15.698 -0.509 3.122 1.00 0.00 N ATOM 969 CA LYS A 897 15.749 -1.067 1.786 1.00 0.00 C ATOM 970 C LYS A 897 15.683 0.052 0.755 1.00 0.00 C ATOM 971 O LYS A 897 16.282 -0.049 -0.313 1.00 0.00 O ATOM 972 CB LYS A 897 14.592 -2.043 1.598 1.00 0.00 C ATOM 973 CG LYS A 897 13.677 -1.989 2.818 1.00 0.00 C ATOM 974 CD LYS A 897 12.748 -0.784 2.705 1.00 0.00 C ATOM 975 CE LYS A 897 12.167 -0.457 4.078 1.00 0.00 C ATOM 976 NZ LYS A 897 10.784 0.028 3.964 1.00 0.00 N ATOM 0 H LYS A 897 15.239 -1.107 3.810 1.00 0.00 H new ATOM 0 HA LYS A 897 16.687 -1.605 1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 897 14.031 -1.790 0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 897 14.974 -3.055 1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 897 13.093 -2.907 2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 897 14.272 -1.919 3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 897 13.295 0.075 2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 897 11.944 -0.996 2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 897 12.194 -1.346 4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 897 12.782 0.299 4.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 897 10.287 -0.124 4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 897 10.790 1.043 3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 897 10.295 -0.491 3.207 1.00 0.00 H new ATOM 990 N ASN A 898 14.952 1.121 1.079 1.00 0.00 N ATOM 991 CA ASN A 898 14.813 2.250 0.181 1.00 0.00 C ATOM 992 C ASN A 898 14.378 3.482 0.961 1.00 0.00 C ATOM 993 O ASN A 898 13.192 3.662 1.232 1.00 0.00 O ATOM 994 CB ASN A 898 13.797 1.911 -0.906 1.00 0.00 C ATOM 995 CG ASN A 898 14.395 2.115 -2.291 1.00 0.00 C ATOM 996 OD1 ASN A 898 15.535 1.729 -2.539 1.00 0.00 O ATOM 997 ND2 ASN A 898 13.621 2.721 -3.194 1.00 0.00 N ATOM 0 H ASN A 898 14.449 1.220 1.961 1.00 0.00 H new ATOM 0 HA ASN A 898 15.772 2.465 -0.290 1.00 0.00 H new ATOM 0 HB2 ASN A 898 13.471 0.877 -0.795 1.00 0.00 H new ATOM 0 HB3 ASN A 898 12.913 2.538 -0.791 1.00 0.00 H new ATOM 0 HD21 ASN A 898 13.970 2.882 -4.139 1.00 0.00 H new ATOM 0 HD22 ASN A 898 12.681 3.023 -2.939 1.00 0.00 H new ATOM 1004 N PRO A 899 15.341 4.333 1.321 1.00 0.00 N ATOM 1005 CA PRO A 899 15.116 5.555 2.062 1.00 0.00 C ATOM 1006 C PRO A 899 14.447 6.583 1.161 1.00 0.00 C ATOM 1007 O PRO A 899 13.955 7.603 1.638 1.00 0.00 O ATOM 1008 CB PRO A 899 16.508 6.020 2.484 1.00 0.00 C ATOM 1009 CG PRO A 899 17.396 5.491 1.358 1.00 0.00 C ATOM 1010 CD PRO A 899 16.745 4.153 1.018 1.00 0.00 C ATOM 0 HA PRO A 899 14.463 5.414 2.923 1.00 0.00 H new ATOM 0 HB2 PRO A 899 16.564 7.105 2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 899 16.795 5.610 3.452 1.00 0.00 H new ATOM 0 HG2 PRO A 899 17.408 6.165 0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 899 18.430 5.368 1.681 1.00 0.00 H new ATOM 0 HD2 PRO A 899 16.893 3.897 -0.031 1.00 0.00 H new ATOM 0 HD3 PRO A 899 17.176 3.343 1.607 1.00 0.00 H new ATOM 1018 N ALA A 900 14.431 6.312 -0.146 1.00 0.00 N ATOM 1019 CA ALA A 900 13.826 7.214 -1.106 1.00 0.00 C ATOM 1020 C ALA A 900 12.342 6.907 -1.238 1.00 0.00 C ATOM 1021 O ALA A 900 11.631 7.578 -1.983 1.00 0.00 O ATOM 1022 CB ALA A 900 14.530 7.068 -2.453 1.00 0.00 C ATOM 0 H ALA A 900 14.834 5.470 -0.557 1.00 0.00 H new ATOM 0 HA ALA A 900 13.935 8.243 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 900 14.076 7.746 -3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 900 15.586 7.312 -2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 900 14.431 6.042 -2.806 1.00 0.00 H new ATOM 1028 N ALA A 901 11.874 5.890 -0.511 1.00 0.00 N ATOM 1029 CA ALA A 901 10.479 5.499 -0.550 1.00 0.00 C ATOM 1030 C ALA A 901 9.729 6.150 0.602 1.00 0.00 C ATOM 1031 O ALA A 901 10.164 7.170 1.132 1.00 0.00 O ATOM 1032 CB ALA A 901 10.375 3.979 -0.474 1.00 0.00 C ATOM 0 H ALA A 901 12.451 5.325 0.112 1.00 0.00 H new ATOM 0 HA ALA A 901 10.029 5.834 -1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 901 9.326 3.684 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 901 10.900 3.536 -1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 901 10.824 3.630 0.456 1.00 0.00 H new ATOM 1038 N GLN A 902 8.597 5.558 0.991 1.00 0.00 N ATOM 1039 CA GLN A 902 7.793 6.083 2.076 1.00 0.00 C ATOM 1040 C GLN A 902 7.537 4.991 3.105 1.00 0.00 C ATOM 1041 O GLN A 902 7.203 3.864 2.747 1.00 0.00 O ATOM 1042 CB GLN A 902 6.478 6.620 1.519 1.00 0.00 C ATOM 1043 CG GLN A 902 6.619 8.111 1.226 1.00 0.00 C ATOM 1044 CD GLN A 902 7.117 8.860 2.453 1.00 0.00 C ATOM 1045 OE1 GLN A 902 7.896 9.803 2.333 1.00 0.00 O ATOM 1046 NE2 GLN A 902 6.667 8.436 3.637 1.00 0.00 N ATOM 0 H GLN A 902 8.223 4.711 0.563 1.00 0.00 H new ATOM 0 HA GLN A 902 8.325 6.898 2.566 1.00 0.00 H new ATOM 0 HB2 GLN A 902 6.211 6.084 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 902 5.673 6.454 2.235 1.00 0.00 H new ATOM 0 HG2 GLN A 902 7.312 8.259 0.398 1.00 0.00 H new ATOM 0 HG3 GLN A 902 5.657 8.517 0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 902 6.021 7.648 3.685 1.00 0.00 H new ATOM 0 HE22 GLN A 902 6.969 8.900 4.493 1.00 0.00 H new ATOM 1055 N GLN A 903 7.695 5.328 4.387 1.00 0.00 N ATOM 1056 CA GLN A 903 7.482 4.376 5.459 1.00 0.00 C ATOM 1057 C GLN A 903 6.026 4.417 5.903 1.00 0.00 C ATOM 1058 O GLN A 903 5.734 4.747 7.050 1.00 0.00 O ATOM 1059 CB GLN A 903 8.412 4.707 6.623 1.00 0.00 C ATOM 1060 CG GLN A 903 9.857 4.445 6.211 1.00 0.00 C ATOM 1061 CD GLN A 903 10.644 5.746 6.135 1.00 0.00 C ATOM 1062 OE1 GLN A 903 11.238 6.173 7.123 1.00 0.00 O ATOM 1063 NE2 GLN A 903 10.646 6.376 4.958 1.00 0.00 N ATOM 0 H GLN A 903 7.971 6.259 4.700 1.00 0.00 H new ATOM 0 HA GLN A 903 7.706 3.369 5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 903 8.289 5.750 6.915 1.00 0.00 H new ATOM 0 HB3 GLN A 903 8.155 4.101 7.491 1.00 0.00 H new ATOM 0 HG2 GLN A 903 10.327 3.772 6.928 1.00 0.00 H new ATOM 0 HG3 GLN A 903 9.878 3.945 5.243 1.00 0.00 H new ATOM 0 HE21 GLN A 903 10.137 5.981 4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 903 11.156 7.253 4.850 1.00 0.00 H new ATOM 1072 N VAL A 904 5.113 4.079 4.990 1.00 0.00 N ATOM 1073 CA VAL A 904 3.695 4.077 5.291 1.00 0.00 C ATOM 1074 C VAL A 904 3.343 2.840 6.104 1.00 0.00 C ATOM 1075 O VAL A 904 4.178 1.957 6.288 1.00 0.00 O ATOM 1076 CB VAL A 904 2.900 4.113 3.989 1.00 0.00 C ATOM 1077 CG1 VAL A 904 3.816 4.538 2.845 1.00 0.00 C ATOM 1078 CG2 VAL A 904 2.334 2.726 3.700 1.00 0.00 C ATOM 0 H VAL A 904 5.340 3.803 4.035 1.00 0.00 H new ATOM 0 HA VAL A 904 3.442 4.959 5.880 1.00 0.00 H new ATOM 0 HB VAL A 904 2.081 4.827 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 904 3.248 4.564 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 904 4.220 5.529 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 904 4.635 3.825 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 904 1.766 2.751 2.770 1.00 0.00 H new ATOM 0 HG22 VAL A 904 3.152 2.012 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 904 1.679 2.423 4.517 1.00 0.00 H new ATOM 1088 N SER A 905 2.101 2.777 6.591 1.00 0.00 N ATOM 1089 CA SER A 905 1.647 1.649 7.379 1.00 0.00 C ATOM 1090 C SER A 905 0.361 1.090 6.787 1.00 0.00 C ATOM 1091 O SER A 905 -0.041 1.477 5.692 1.00 0.00 O ATOM 1092 CB SER A 905 1.429 2.093 8.823 1.00 0.00 C ATOM 1093 OG SER A 905 2.098 1.207 9.692 1.00 0.00 O ATOM 0 H SER A 905 1.397 3.501 6.448 1.00 0.00 H new ATOM 0 HA SER A 905 2.402 0.863 7.364 1.00 0.00 H new ATOM 0 HB2 SER A 905 1.802 3.108 8.963 1.00 0.00 H new ATOM 0 HB3 SER A 905 0.364 2.110 9.053 1.00 0.00 H new ATOM 0 HG SER A 905 1.960 1.492 10.619 1.00 0.00 H new ATOM 1099 N PRO A 906 -0.286 0.177 7.516 1.00 0.00 N ATOM 1100 CA PRO A 906 -1.522 -0.460 7.116 1.00 0.00 C ATOM 1101 C PRO A 906 -2.667 0.537 7.219 1.00 0.00 C ATOM 1102 O PRO A 906 -3.626 0.465 6.454 1.00 0.00 O ATOM 1103 CB PRO A 906 -1.706 -1.611 8.102 1.00 0.00 C ATOM 1104 CG PRO A 906 -1.027 -1.085 9.366 1.00 0.00 C ATOM 1105 CD PRO A 906 0.158 -0.301 8.807 1.00 0.00 C ATOM 0 HA PRO A 906 -1.503 -0.815 6.086 1.00 0.00 H new ATOM 0 HB2 PRO A 906 -2.759 -1.834 8.272 1.00 0.00 H new ATOM 0 HB3 PRO A 906 -1.239 -2.529 7.744 1.00 0.00 H new ATOM 0 HG2 PRO A 906 -1.694 -0.450 9.950 1.00 0.00 H new ATOM 0 HG3 PRO A 906 -0.705 -1.895 10.020 1.00 0.00 H new ATOM 0 HD2 PRO A 906 0.429 0.527 9.463 1.00 0.00 H new ATOM 0 HD3 PRO A 906 1.040 -0.934 8.712 1.00 0.00 H new ATOM 1113 N GLU A 907 -2.566 1.469 8.170 1.00 0.00 N ATOM 1114 CA GLU A 907 -3.594 2.472 8.366 1.00 0.00 C ATOM 1115 C GLU A 907 -3.597 3.447 7.198 1.00 0.00 C ATOM 1116 O GLU A 907 -4.614 4.077 6.914 1.00 0.00 O ATOM 1117 CB GLU A 907 -3.343 3.204 9.682 1.00 0.00 C ATOM 1118 CG GLU A 907 -3.660 2.275 10.850 1.00 0.00 C ATOM 1119 CD GLU A 907 -2.428 2.047 11.713 1.00 0.00 C ATOM 1120 OE1 GLU A 907 -1.765 3.057 12.033 1.00 0.00 O ATOM 1121 OE2 GLU A 907 -2.172 0.867 12.037 1.00 0.00 O ATOM 0 H GLU A 907 -1.778 1.543 8.813 1.00 0.00 H new ATOM 0 HA GLU A 907 -4.571 1.992 8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 907 -2.305 3.532 9.736 1.00 0.00 H new ATOM 0 HB3 GLU A 907 -3.963 4.099 9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 907 -4.458 2.705 11.455 1.00 0.00 H new ATOM 0 HG3 GLU A 907 -4.025 1.320 10.472 1.00 0.00 H new ATOM 1128 N TRP A 908 -2.455 3.572 6.519 1.00 0.00 N ATOM 1129 CA TRP A 908 -2.337 4.468 5.386 1.00 0.00 C ATOM 1130 C TRP A 908 -3.161 3.940 4.220 1.00 0.00 C ATOM 1131 O TRP A 908 -4.013 4.648 3.688 1.00 0.00 O ATOM 1132 CB TRP A 908 -0.868 4.600 4.994 1.00 0.00 C ATOM 1133 CG TRP A 908 -0.601 5.537 3.860 1.00 0.00 C ATOM 1134 CD1 TRP A 908 -0.530 6.882 3.960 1.00 0.00 C ATOM 1135 CD2 TRP A 908 -0.367 5.229 2.452 1.00 0.00 C ATOM 1136 NE1 TRP A 908 -0.270 7.424 2.719 1.00 0.00 N ATOM 1137 CE2 TRP A 908 -0.160 6.447 1.750 1.00 0.00 C ATOM 1138 CE3 TRP A 908 -0.308 4.045 1.696 1.00 0.00 C ATOM 1139 CZ2 TRP A 908 0.091 6.490 0.376 1.00 0.00 C ATOM 1140 CZ3 TRP A 908 -0.057 4.076 0.316 1.00 0.00 C ATOM 1141 CH2 TRP A 908 0.142 5.294 -0.345 1.00 0.00 C ATOM 0 H TRP A 908 -1.602 3.059 6.741 1.00 0.00 H new ATOM 0 HA TRP A 908 -2.718 5.453 5.656 1.00 0.00 H new ATOM 0 HB2 TRP A 908 -0.304 4.936 5.864 1.00 0.00 H new ATOM 0 HB3 TRP A 908 -0.488 3.614 4.728 1.00 0.00 H new ATOM 0 HD1 TRP A 908 -0.657 7.446 4.872 1.00 0.00 H new ATOM 0 HE1 TRP A 908 -0.171 8.423 2.539 1.00 0.00 H new ATOM 0 HE3 TRP A 908 -0.459 3.095 2.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 908 0.244 7.436 -0.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 908 -0.017 3.152 -0.241 1.00 0.00 H new ATOM 0 HH2 TRP A 908 0.334 5.309 -1.408 1.00 0.00 H new ATOM 1152 N ILE A 909 -2.904 2.692 3.823 1.00 0.00 N ATOM 1153 CA ILE A 909 -3.621 2.073 2.726 1.00 0.00 C ATOM 1154 C ILE A 909 -5.117 2.291 2.901 1.00 0.00 C ATOM 1155 O ILE A 909 -5.804 2.679 1.958 1.00 0.00 O ATOM 1156 CB ILE A 909 -3.291 0.584 2.679 1.00 0.00 C ATOM 1157 CG1 ILE A 909 -2.097 0.355 1.756 1.00 0.00 C ATOM 1158 CG2 ILE A 909 -4.497 -0.187 2.150 1.00 0.00 C ATOM 1159 CD1 ILE A 909 -1.001 -0.386 2.517 1.00 0.00 C ATOM 0 H ILE A 909 -2.199 2.094 4.253 1.00 0.00 H new ATOM 0 HA ILE A 909 -3.316 2.527 1.783 1.00 0.00 H new ATOM 0 HB ILE A 909 -3.047 0.235 3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 909 -2.403 -0.223 0.884 1.00 0.00 H new ATOM 0 HG13 ILE A 909 -1.719 1.309 1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 909 -4.262 -1.251 2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 909 -5.350 -0.024 2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 909 -4.741 0.163 1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 909 -0.148 -0.550 1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 909 -0.688 0.209 3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 909 -1.383 -1.347 2.862 1.00 0.00 H new ATOM 1171 N TRP A 910 -5.622 2.039 4.111 1.00 0.00 N ATOM 1172 CA TRP A 910 -7.032 2.212 4.397 1.00 0.00 C ATOM 1173 C TRP A 910 -7.412 3.680 4.268 1.00 0.00 C ATOM 1174 O TRP A 910 -8.134 4.058 3.348 1.00 0.00 O ATOM 1175 CB TRP A 910 -7.331 1.698 5.803 1.00 0.00 C ATOM 1176 CG TRP A 910 -6.672 0.402 6.153 1.00 0.00 C ATOM 1177 CD1 TRP A 910 -5.953 0.170 7.273 1.00 0.00 C ATOM 1178 CD2 TRP A 910 -6.653 -0.849 5.400 1.00 0.00 C ATOM 1179 NE1 TRP A 910 -5.494 -1.131 7.265 1.00 0.00 N ATOM 1180 CE2 TRP A 910 -5.897 -1.805 6.131 1.00 0.00 C ATOM 1181 CE3 TRP A 910 -7.197 -1.274 4.175 1.00 0.00 C ATOM 1182 CZ2 TRP A 910 -5.692 -3.110 5.673 1.00 0.00 C ATOM 1183 CZ3 TRP A 910 -6.997 -2.581 3.707 1.00 0.00 C ATOM 1184 CH2 TRP A 910 -6.247 -3.499 4.451 1.00 0.00 C ATOM 0 H TRP A 910 -5.068 1.715 4.903 1.00 0.00 H new ATOM 0 HA TRP A 910 -7.623 1.642 3.681 1.00 0.00 H new ATOM 0 HB2 TRP A 910 -7.020 2.454 6.524 1.00 0.00 H new ATOM 0 HB3 TRP A 910 -8.409 1.581 5.910 1.00 0.00 H new ATOM 0 HD1 TRP A 910 -5.766 0.892 8.054 1.00 0.00 H new ATOM 0 HE1 TRP A 910 -4.927 -1.543 8.006 1.00 0.00 H new ATOM 0 HE3 TRP A 910 -7.779 -0.582 3.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 910 -5.112 -3.809 6.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 910 -7.426 -2.882 2.763 1.00 0.00 H new ATOM 0 HH2 TRP A 910 -6.098 -4.503 4.082 1.00 0.00 H new ATOM 1195 N ALA A 911 -6.922 4.508 5.194 1.00 0.00 N ATOM 1196 CA ALA A 911 -7.212 5.927 5.180 1.00 0.00 C ATOM 1197 C ALA A 911 -6.991 6.485 3.781 1.00 0.00 C ATOM 1198 O ALA A 911 -7.657 7.436 3.378 1.00 0.00 O ATOM 1199 CB ALA A 911 -6.320 6.638 6.193 1.00 0.00 C ATOM 0 H ALA A 911 -6.321 4.210 5.962 1.00 0.00 H new ATOM 0 HA ALA A 911 -8.254 6.092 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 911 -6.538 7.706 6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 911 -6.510 6.238 7.189 1.00 0.00 H new ATOM 0 HB3 ALA A 911 -5.274 6.479 5.932 1.00 0.00 H new ATOM 1205 N CYS A 912 -6.052 5.890 3.042 1.00 0.00 N ATOM 1206 CA CYS A 912 -5.744 6.324 1.695 1.00 0.00 C ATOM 1207 C CYS A 912 -6.858 5.891 0.752 1.00 0.00 C ATOM 1208 O CYS A 912 -7.717 6.694 0.395 1.00 0.00 O ATOM 1209 CB CYS A 912 -4.406 5.731 1.262 1.00 0.00 C ATOM 1210 SG CYS A 912 -3.096 6.438 2.292 1.00 0.00 S ATOM 0 H CYS A 912 -5.493 5.101 3.365 1.00 0.00 H new ATOM 0 HA CYS A 912 -5.668 7.411 1.665 1.00 0.00 H new ATOM 0 HB2 CYS A 912 -4.423 4.646 1.365 1.00 0.00 H new ATOM 0 HB3 CYS A 912 -4.219 5.949 0.211 1.00 0.00 H new ATOM 0 HG CYS A 912 -1.995 5.771 2.112 1.00 0.00 H new ATOM 1216 N ILE A 913 -6.842 4.618 0.350 1.00 0.00 N ATOM 1217 CA ILE A 913 -7.849 4.085 -0.546 1.00 0.00 C ATOM 1218 C ILE A 913 -9.224 4.595 -0.137 1.00 0.00 C ATOM 1219 O ILE A 913 -10.090 4.798 -0.985 1.00 0.00 O ATOM 1220 CB ILE A 913 -7.805 2.560 -0.510 1.00 0.00 C ATOM 1221 CG1 ILE A 913 -8.875 1.997 -1.440 1.00 0.00 C ATOM 1222 CG2 ILE A 913 -8.064 2.077 0.914 1.00 0.00 C ATOM 1223 CD1 ILE A 913 -8.910 0.477 -1.315 1.00 0.00 C ATOM 0 HA ILE A 913 -7.648 4.417 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 913 -6.823 2.218 -0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 913 -9.849 2.416 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 913 -8.663 2.283 -2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 913 -8.033 0.988 0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 913 -7.299 2.478 1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 913 -9.046 2.420 1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 913 -9.675 0.075 -1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 913 -7.938 0.067 -1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 913 -9.142 0.202 -0.286 1.00 0.00 H new ATOM 1235 N ARG A 914 -9.422 4.803 1.167 1.00 0.00 N ATOM 1236 CA ARG A 914 -10.688 5.287 1.680 1.00 0.00 C ATOM 1237 C ARG A 914 -10.853 6.761 1.339 1.00 0.00 C ATOM 1238 O ARG A 914 -11.965 7.221 1.087 1.00 0.00 O ATOM 1239 CB ARG A 914 -10.739 5.072 3.190 1.00 0.00 C ATOM 1240 CG ARG A 914 -12.166 5.288 3.686 1.00 0.00 C ATOM 1241 CD ARG A 914 -13.144 4.598 2.740 1.00 0.00 C ATOM 1242 NE ARG A 914 -13.611 5.519 1.704 1.00 0.00 N ATOM 1243 CZ ARG A 914 -14.532 5.179 0.792 1.00 0.00 C ATOM 1244 NH1 ARG A 914 -15.067 3.951 0.806 1.00 0.00 N ATOM 1245 NH2 ARG A 914 -14.919 6.068 -0.133 1.00 0.00 N ATOM 0 H ARG A 914 -8.713 4.640 1.882 1.00 0.00 H new ATOM 0 HA ARG A 914 -11.507 4.734 1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 914 -10.406 4.064 3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 914 -10.060 5.763 3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 914 -12.276 4.889 4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 914 -12.386 6.354 3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 914 -12.661 3.738 2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 914 -13.996 4.219 3.305 1.00 0.00 H new ATOM 0 HE ARG A 914 -13.219 6.460 1.675 1.00 0.00 H new ATOM 0 HH11 ARG A 914 -14.773 3.275 1.511 1.00 0.00 H new ATOM 0 HH12 ARG A 914 -15.768 3.692 0.112 1.00 0.00 H new ATOM 0 HH21 ARG A 914 -14.512 7.003 -0.143 1.00 0.00 H new ATOM 0 HH22 ARG A 914 -15.620 5.809 -0.827 1.00 0.00 H new ATOM 1259 N LYS A 915 -9.743 7.502 1.332 1.00 0.00 N ATOM 1260 CA LYS A 915 -9.772 8.917 1.022 1.00 0.00 C ATOM 1261 C LYS A 915 -9.746 9.118 -0.487 1.00 0.00 C ATOM 1262 O LYS A 915 -9.959 10.227 -0.972 1.00 0.00 O ATOM 1263 CB LYS A 915 -8.580 9.606 1.679 1.00 0.00 C ATOM 1264 CG LYS A 915 -8.811 9.695 3.185 1.00 0.00 C ATOM 1265 CD LYS A 915 -9.769 10.844 3.487 1.00 0.00 C ATOM 1266 CE LYS A 915 -10.279 10.718 4.919 1.00 0.00 C ATOM 1267 NZ LYS A 915 -9.209 11.005 5.888 1.00 0.00 N ATOM 0 H LYS A 915 -8.814 7.136 1.539 1.00 0.00 H new ATOM 0 HA LYS A 915 -10.690 9.358 1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 915 -7.666 9.050 1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 915 -8.447 10.604 1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 915 -9.223 8.757 3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 915 -7.863 9.853 3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 915 -9.262 11.799 3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 915 -10.606 10.827 2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 915 -11.110 11.406 5.075 1.00 0.00 H new ATOM 0 HE3 LYS A 915 -10.664 9.712 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 915 -9.582 10.912 6.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 915 -8.428 10.332 5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 915 -8.860 11.974 5.743 1.00 0.00 H new ATOM 1281 N ARG A 916 -9.483 8.040 -1.229 1.00 0.00 N ATOM 1282 CA ARG A 916 -9.429 8.102 -2.675 1.00 0.00 C ATOM 1283 C ARG A 916 -8.222 8.920 -3.111 1.00 0.00 C ATOM 1284 O ARG A 916 -8.007 9.125 -4.304 1.00 0.00 O ATOM 1285 CB ARG A 916 -10.720 8.719 -3.206 1.00 0.00 C ATOM 1286 CG ARG A 916 -11.572 7.633 -3.857 1.00 0.00 C ATOM 1287 CD ARG A 916 -11.286 7.592 -5.356 1.00 0.00 C ATOM 1288 NE ARG A 916 -12.511 7.788 -6.130 1.00 0.00 N ATOM 1289 CZ ARG A 916 -12.519 7.873 -7.467 1.00 0.00 C ATOM 1290 NH1 ARG A 916 -11.371 7.776 -8.152 1.00 0.00 N ATOM 1291 NH2 ARG A 916 -13.675 8.054 -8.121 1.00 0.00 N ATOM 0 H ARG A 916 -9.305 7.113 -0.842 1.00 0.00 H new ATOM 0 HA ARG A 916 -9.328 7.096 -3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 916 -11.272 9.191 -2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 916 -10.491 9.500 -3.931 1.00 0.00 H new ATOM 0 HG2 ARG A 916 -11.352 6.665 -3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 916 -12.629 7.832 -3.683 1.00 0.00 H new ATOM 0 HD2 ARG A 916 -10.562 8.365 -5.613 1.00 0.00 H new ATOM 0 HD3 ARG A 916 -10.836 6.634 -5.618 1.00 0.00 H new ATOM 0 HE ARG A 916 -13.397 7.863 -5.631 1.00 0.00 H new ATOM 0 HH11 ARG A 916 -10.491 7.637 -7.655 1.00 0.00 H new ATOM 0 HH12 ARG A 916 -11.377 7.841 -9.170 1.00 0.00 H new ATOM 0 HH21 ARG A 916 -14.549 8.127 -7.601 1.00 0.00 H new ATOM 0 HH22 ARG A 916 -13.680 8.119 -9.139 1.00 0.00 H new ATOM 1305 N ARG A 917 -7.433 9.387 -2.141 1.00 0.00 N ATOM 1306 CA ARG A 917 -6.254 10.179 -2.428 1.00 0.00 C ATOM 1307 C ARG A 917 -5.191 9.924 -1.369 1.00 0.00 C ATOM 1308 O ARG A 917 -5.421 10.163 -0.186 1.00 0.00 O ATOM 1309 CB ARG A 917 -6.633 11.656 -2.469 1.00 0.00 C ATOM 1310 CG ARG A 917 -7.986 11.853 -1.792 1.00 0.00 C ATOM 1311 CD ARG A 917 -9.095 11.764 -2.837 1.00 0.00 C ATOM 1312 NE ARG A 917 -10.239 12.595 -2.460 1.00 0.00 N ATOM 1313 CZ ARG A 917 -11.157 13.010 -3.344 1.00 0.00 C ATOM 1314 NH1 ARG A 917 -11.050 12.663 -4.634 1.00 0.00 N ATOM 1315 NH2 ARG A 917 -12.182 13.771 -2.938 1.00 0.00 N ATOM 0 H ARG A 917 -7.598 9.225 -1.148 1.00 0.00 H new ATOM 0 HA ARG A 917 -5.847 9.895 -3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 917 -5.872 12.252 -1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 917 -6.677 12.003 -3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 917 -8.134 11.094 -1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 917 -8.018 12.822 -1.294 1.00 0.00 H new ATOM 0 HD2 ARG A 917 -8.713 12.084 -3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 917 -9.414 10.728 -2.946 1.00 0.00 H new ATOM 0 HE ARG A 917 -10.342 12.870 -1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 917 -10.270 12.083 -4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 917 -11.749 12.979 -5.307 1.00 0.00 H new ATOM 0 HH21 ARG A 917 -12.264 14.035 -1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 917 -12.881 14.087 -3.611 1.00 0.00 H new ATOM 1329 N LEU A 918 -4.023 9.437 -1.797 1.00 0.00 N ATOM 1330 CA LEU A 918 -2.932 9.154 -0.887 1.00 0.00 C ATOM 1331 C LEU A 918 -2.928 10.170 0.246 1.00 0.00 C ATOM 1332 O LEU A 918 -2.930 11.375 0.003 1.00 0.00 O ATOM 1333 CB LEU A 918 -1.611 9.189 -1.650 1.00 0.00 C ATOM 1334 CG LEU A 918 -1.396 7.853 -2.354 1.00 0.00 C ATOM 1335 CD1 LEU A 918 -2.430 6.845 -1.862 1.00 0.00 C ATOM 1336 CD2 LEU A 918 -1.546 8.042 -3.861 1.00 0.00 C ATOM 0 H LEU A 918 -3.817 9.233 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 918 -3.061 8.161 -0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 918 -1.621 9.999 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 918 -0.787 9.388 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 918 -0.395 7.483 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 918 -2.276 5.891 -2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 918 -2.322 6.709 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 918 -3.432 7.214 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 918 -1.392 7.088 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 918 -2.547 8.413 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 918 -0.806 8.761 -4.213 1.00 0.00 H new ATOM 1348 N VAL A 919 -2.921 9.681 1.489 1.00 0.00 N ATOM 1349 CA VAL A 919 -2.916 10.546 2.651 1.00 0.00 C ATOM 1350 C VAL A 919 -1.514 10.606 3.242 1.00 0.00 C ATOM 1351 O VAL A 919 -0.542 10.264 2.573 1.00 0.00 O ATOM 1352 CB VAL A 919 -3.914 10.021 3.679 1.00 0.00 C ATOM 1353 CG1 VAL A 919 -5.020 9.249 2.966 1.00 0.00 C ATOM 1354 CG2 VAL A 919 -3.197 9.095 4.658 1.00 0.00 C ATOM 0 H VAL A 919 -2.919 8.685 1.707 1.00 0.00 H new ATOM 0 HA VAL A 919 -3.210 11.554 2.361 1.00 0.00 H new ATOM 0 HB VAL A 919 -4.349 10.859 4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 919 -5.733 8.874 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 919 -5.533 9.910 2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 919 -4.586 8.411 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 919 -3.910 8.720 5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 919 -2.762 8.257 4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 919 -2.407 9.646 5.168 1.00 0.00 H new ATOM 1364 N ALA A 920 -1.413 11.042 4.500 1.00 0.00 N ATOM 1365 CA ALA A 920 -0.134 11.145 5.172 1.00 0.00 C ATOM 1366 C ALA A 920 0.395 9.753 5.490 1.00 0.00 C ATOM 1367 O ALA A 920 -0.188 9.035 6.298 1.00 0.00 O ATOM 1368 CB ALA A 920 -0.296 11.966 6.448 1.00 0.00 C ATOM 0 H ALA A 920 -2.210 11.328 5.068 1.00 0.00 H new ATOM 0 HA ALA A 920 0.584 11.645 4.522 1.00 0.00 H new ATOM 0 HB1 ALA A 920 0.666 12.044 6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 920 -0.655 12.964 6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 920 -1.014 11.477 7.106 1.00 0.00 H new ATOM 1374 N PRO A 921 1.504 9.374 4.849 1.00 0.00 N ATOM 1375 CA PRO A 921 2.149 8.091 5.025 1.00 0.00 C ATOM 1376 C PRO A 921 2.833 8.046 6.384 1.00 0.00 C ATOM 1377 O PRO A 921 3.564 8.966 6.744 1.00 0.00 O ATOM 1378 CB PRO A 921 3.172 8.008 3.894 1.00 0.00 C ATOM 1379 CG PRO A 921 3.542 9.473 3.666 1.00 0.00 C ATOM 1380 CD PRO A 921 2.215 10.194 3.892 1.00 0.00 C ATOM 0 HA PRO A 921 1.449 7.256 4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 921 4.039 7.411 4.176 1.00 0.00 H new ATOM 0 HB3 PRO A 921 2.749 7.553 2.998 1.00 0.00 H new ATOM 0 HG2 PRO A 921 4.310 9.810 4.363 1.00 0.00 H new ATOM 0 HG3 PRO A 921 3.928 9.641 2.661 1.00 0.00 H new ATOM 0 HD2 PRO A 921 2.373 11.202 4.276 1.00 0.00 H new ATOM 0 HD3 PRO A 921 1.655 10.291 2.962 1.00 0.00 H new ATOM 1388 N CYS A 922 2.593 6.971 7.139 1.00 0.00 N ATOM 1389 CA CYS A 922 3.182 6.806 8.452 1.00 0.00 C ATOM 1390 C CYS A 922 4.607 7.340 8.442 1.00 0.00 C ATOM 1391 O CYS A 922 5.057 7.927 9.424 1.00 0.00 O ATOM 1392 CB CYS A 922 3.159 5.330 8.838 1.00 0.00 C ATOM 1393 SG CYS A 922 4.297 5.073 10.222 1.00 0.00 S ATOM 0 H CYS A 922 1.988 6.201 6.852 1.00 0.00 H new ATOM 0 HA CYS A 922 2.607 7.367 9.189 1.00 0.00 H new ATOM 0 HB2 CYS A 922 2.150 5.029 9.118 1.00 0.00 H new ATOM 0 HB3 CYS A 922 3.452 4.713 7.989 1.00 0.00 H new ATOM 0 HG CYS A 922 4.881 6.196 10.518 1.00 0.00 H new