USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 772 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 49 HIS : no HE2:sc= -6.81! C(o=-11!,f=-14!) USER MOD Set 1.2: A 51 TYR OH : rot 147:sc= -3.74! USER MOD Set 2.1: A 29 SER OG : rot 180:sc= -0.0844 USER MOD Set 2.2: A 30 ASN : amide:sc= -1.64 K(o=-1.7,f=-2.5!) USER MOD Set 3.1: A 22 SER OG : rot 161:sc= -3.26! USER MOD Set 3.2: A 25 GLN : amide:sc= -5.7! C(o=-9!,f=-10!) USER MOD Single : A 1 SER N :NH3+ 137:sc= 0.719 (180deg=0.0777) USER MOD Single : A 1 SER OG : rot 110:sc= -1.87! USER MOD Single : A 2 LYS NZ :NH3+ -157:sc= -0.0456 (180deg=-0.328) USER MOD Single : A 5 TYR OH : rot -89:sc= 0.0275 USER MOD Single : A 7 SER OG : rot -32:sc= -1.1 USER MOD Single : A 8 HIS : no HD1:sc= -2.59! C(o=-2.6!,f=-7.3!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 147:sc= -0.27 (180deg=-2.95!) USER MOD Single : A 33 TYR OH : rot -148:sc= -6.75! USER MOD Single : A 42 SER OG : rot 87:sc= 0.0336 USER MOD Single : A 44 SER OG : rot 180:sc= -0.172 USER MOD Single : A 47 THR OG1 : rot -74:sc= -2.04! USER MOD Single : A 53 ASN : amide:sc= -12.3! C(o=-12!,f=-21!) USER MOD Single : A 57 THR OG1 : rot 170:sc= -0.599 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -3.24! C(o=-3.2!,f=-19!) USER MOD Single : A 70 MET CE :methyl -166:sc= -1.51 (180deg=-2.17) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -151:sc= 0.894 USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= -0.0391 (180deg=-0.599) USER MOD Single : A 81 ASN : amide:sc= 0.176 K(o=0.18,f=-1.9!) USER MOD Single : A 82 SER OG : rot -54:sc= 0.119 USER MOD Single : A 85 CYS SG : rot 161:sc= -0.915 USER MOD Single : A 87 GLN : amide:sc= -9.53! C(o=-9.5!,f=-13!) USER MOD Single : A 90 MET CE :methyl 166:sc= -0.145 (180deg=-0.229) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0883 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 10.998 -8.780 3.552 1.00 0.00 N ATOM 2 CA SER A 1 9.918 -9.592 2.917 1.00 0.00 C ATOM 3 C SER A 1 9.823 -9.234 1.433 1.00 0.00 C ATOM 4 O SER A 1 10.286 -8.194 1.014 1.00 0.00 O ATOM 5 CB SER A 1 8.582 -9.290 3.622 1.00 0.00 C ATOM 6 OG SER A 1 8.846 -8.696 4.885 1.00 0.00 O ATOM 0 H1 SER A 1 10.671 -8.427 4.474 1.00 0.00 H new ATOM 0 H2 SER A 1 11.843 -9.371 3.688 1.00 0.00 H new ATOM 0 H3 SER A 1 11.234 -7.975 2.937 1.00 0.00 H new ATOM 0 HA SER A 1 10.143 -10.654 3.012 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.977 -8.620 3.011 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.009 -10.208 3.751 1.00 0.00 H new ATOM 0 HG SER A 1 8.582 -7.752 4.864 1.00 0.00 H new ATOM 14 N LYS A 2 9.220 -10.073 0.633 1.00 0.00 N ATOM 15 CA LYS A 2 9.100 -9.752 -0.798 1.00 0.00 C ATOM 16 C LYS A 2 7.848 -8.917 -0.982 1.00 0.00 C ATOM 17 O LYS A 2 6.775 -9.305 -0.588 1.00 0.00 O ATOM 18 CB LYS A 2 8.967 -11.060 -1.598 1.00 0.00 C ATOM 19 CG LYS A 2 10.362 -11.589 -1.993 1.00 0.00 C ATOM 20 CD LYS A 2 10.834 -10.933 -3.305 1.00 0.00 C ATOM 21 CE LYS A 2 10.309 -11.729 -4.511 1.00 0.00 C ATOM 22 NZ LYS A 2 11.054 -13.016 -4.616 1.00 0.00 N ATOM 0 H LYS A 2 8.810 -10.962 0.918 1.00 0.00 H new ATOM 0 HA LYS A 2 9.976 -9.206 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.442 -11.807 -1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.369 -10.888 -2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.076 -11.379 -1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.327 -12.672 -2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.478 -9.904 -3.355 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.923 -10.895 -3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.242 -11.922 -4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.432 -11.149 -5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.003 -13.368 -5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.049 -12.863 -4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.631 -13.716 -3.973 1.00 0.00 H new ATOM 36 N VAL A 3 7.964 -7.766 -1.550 1.00 0.00 N ATOM 37 CA VAL A 3 6.774 -6.895 -1.735 1.00 0.00 C ATOM 38 C VAL A 3 6.632 -6.583 -3.209 1.00 0.00 C ATOM 39 O VAL A 3 7.553 -6.116 -3.831 1.00 0.00 O ATOM 40 CB VAL A 3 7.044 -5.616 -0.934 1.00 0.00 C ATOM 41 CG1 VAL A 3 6.252 -4.431 -1.481 1.00 0.00 C ATOM 42 CG2 VAL A 3 6.678 -5.860 0.518 1.00 0.00 C ATOM 0 H VAL A 3 8.840 -7.379 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 3 5.853 -7.369 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 3 8.102 -5.369 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.470 -3.543 -0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.534 -4.252 -2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.186 -4.650 -1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.866 -4.956 1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.622 -6.123 0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.282 -6.677 0.913 1.00 0.00 H new ATOM 52 N VAL A 4 5.485 -6.837 -3.779 1.00 0.00 N ATOM 53 CA VAL A 4 5.278 -6.550 -5.232 1.00 0.00 C ATOM 54 C VAL A 4 4.254 -5.429 -5.400 1.00 0.00 C ATOM 55 O VAL A 4 3.182 -5.456 -4.853 1.00 0.00 O ATOM 56 CB VAL A 4 4.794 -7.810 -5.932 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.427 -7.490 -7.377 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.902 -8.867 -5.908 1.00 0.00 C ATOM 0 H VAL A 4 4.677 -7.233 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 4 6.221 -6.232 -5.677 1.00 0.00 H new ATOM 0 HB VAL A 4 3.914 -8.193 -5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.081 -8.396 -7.874 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.635 -6.742 -7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.303 -7.103 -7.898 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.554 -9.770 -6.410 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.783 -8.482 -6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.158 -9.102 -4.875 1.00 0.00 H new ATOM 68 N TYR A 5 4.596 -4.478 -6.208 1.00 0.00 N ATOM 69 CA TYR A 5 3.689 -3.343 -6.513 1.00 0.00 C ATOM 70 C TYR A 5 3.220 -3.507 -7.959 1.00 0.00 C ATOM 71 O TYR A 5 4.015 -3.479 -8.871 1.00 0.00 O ATOM 72 CB TYR A 5 4.443 -2.021 -6.361 1.00 0.00 C ATOM 73 CG TYR A 5 4.634 -1.713 -4.894 1.00 0.00 C ATOM 74 CD1 TYR A 5 3.583 -1.167 -4.146 1.00 0.00 C ATOM 75 CD2 TYR A 5 5.867 -1.966 -4.282 1.00 0.00 C ATOM 76 CE1 TYR A 5 3.768 -0.874 -2.791 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.051 -1.667 -2.926 1.00 0.00 C ATOM 78 CZ TYR A 5 5.004 -1.121 -2.184 1.00 0.00 C ATOM 79 OH TYR A 5 5.189 -0.818 -0.845 1.00 0.00 O ATOM 0 H TYR A 5 5.496 -4.436 -6.687 1.00 0.00 H new ATOM 0 HA TYR A 5 2.840 -3.335 -5.830 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.411 -2.083 -6.859 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.888 -1.216 -6.843 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.630 -0.972 -4.616 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.677 -2.392 -4.856 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.956 -0.457 -2.213 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.004 -1.859 -2.455 1.00 0.00 H new ATOM 0 HH TYR A 5 5.505 0.106 -0.759 1.00 0.00 H new ATOM 89 N VAL A 6 1.938 -3.639 -8.184 1.00 0.00 N ATOM 90 CA VAL A 6 1.434 -3.760 -9.592 1.00 0.00 C ATOM 91 C VAL A 6 0.920 -2.387 -9.989 1.00 0.00 C ATOM 92 O VAL A 6 -0.007 -1.865 -9.417 1.00 0.00 O ATOM 93 CB VAL A 6 0.315 -4.797 -9.692 1.00 0.00 C ATOM 94 CG1 VAL A 6 0.023 -5.082 -11.161 1.00 0.00 C ATOM 95 CG2 VAL A 6 0.757 -6.090 -9.007 1.00 0.00 C ATOM 0 H VAL A 6 1.219 -3.669 -7.461 1.00 0.00 H new ATOM 0 HA VAL A 6 2.232 -4.093 -10.256 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.582 -4.414 -9.205 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.775 -5.821 -11.237 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.287 -4.162 -11.656 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.922 -5.467 -11.642 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.040 -6.830 -9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.652 -6.473 -9.496 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.974 -5.890 -7.958 1.00 0.00 H new ATOM 105 N SER A 7 1.552 -1.783 -10.941 1.00 0.00 N ATOM 106 CA SER A 7 1.145 -0.422 -11.355 1.00 0.00 C ATOM 107 C SER A 7 -0.116 -0.458 -12.208 1.00 0.00 C ATOM 108 O SER A 7 -0.682 -1.496 -12.488 1.00 0.00 O ATOM 109 CB SER A 7 2.275 0.215 -12.150 1.00 0.00 C ATOM 110 OG SER A 7 2.236 -0.272 -13.486 1.00 0.00 O ATOM 0 H SER A 7 2.340 -2.175 -11.456 1.00 0.00 H new ATOM 0 HA SER A 7 0.933 0.163 -10.460 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.175 1.300 -12.142 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.236 -0.020 -11.692 1.00 0.00 H new ATOM 0 HG SER A 7 1.902 -1.193 -13.489 1.00 0.00 H new ATOM 116 N HIS A 8 -0.540 0.694 -12.621 1.00 0.00 N ATOM 117 CA HIS A 8 -1.755 0.795 -13.474 1.00 0.00 C ATOM 118 C HIS A 8 -1.354 0.433 -14.908 1.00 0.00 C ATOM 119 O HIS A 8 -2.021 -0.329 -15.578 1.00 0.00 O ATOM 120 CB HIS A 8 -2.342 2.235 -13.416 1.00 0.00 C ATOM 121 CG HIS A 8 -1.407 3.164 -12.674 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.842 2.834 -11.452 1.00 0.00 N ATOM 123 CD2 HIS A 8 -0.941 4.421 -12.974 1.00 0.00 C ATOM 124 CE1 HIS A 8 -0.079 3.873 -11.064 1.00 0.00 C ATOM 125 NE2 HIS A 8 -0.107 4.862 -11.954 1.00 0.00 N ATOM 0 H HIS A 8 -0.094 1.585 -12.403 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.526 0.112 -13.116 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.506 2.607 -14.427 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.313 2.218 -12.922 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.185 4.980 -13.865 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.486 3.901 -10.144 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.381 5.756 -11.899 1.00 0.00 H new ATOM 134 N ASP A 9 -0.265 0.973 -15.365 1.00 0.00 N ATOM 135 CA ASP A 9 0.190 0.662 -16.741 1.00 0.00 C ATOM 136 C ASP A 9 0.496 -0.839 -16.852 1.00 0.00 C ATOM 137 O ASP A 9 0.752 -1.352 -17.923 1.00 0.00 O ATOM 138 CB ASP A 9 1.450 1.483 -17.057 1.00 0.00 C ATOM 139 CG ASP A 9 2.296 1.641 -15.789 1.00 0.00 C ATOM 140 OD1 ASP A 9 1.777 2.160 -14.813 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.450 1.247 -15.818 1.00 0.00 O ATOM 0 H ASP A 9 0.330 1.617 -14.844 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.592 0.918 -17.455 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.032 0.989 -17.835 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.170 2.463 -17.443 1.00 0.00 H new ATOM 146 N GLY A 10 0.464 -1.552 -15.746 1.00 0.00 N ATOM 147 CA GLY A 10 0.744 -3.024 -15.784 1.00 0.00 C ATOM 148 C GLY A 10 2.188 -3.304 -15.356 1.00 0.00 C ATOM 149 O GLY A 10 2.557 -4.433 -15.104 1.00 0.00 O ATOM 0 H GLY A 10 0.256 -1.176 -14.821 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.054 -3.549 -15.124 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.576 -3.407 -16.791 1.00 0.00 H new ATOM 153 N THR A 11 3.015 -2.298 -15.285 1.00 0.00 N ATOM 154 CA THR A 11 4.431 -2.534 -14.904 1.00 0.00 C ATOM 155 C THR A 11 4.517 -2.895 -13.416 1.00 0.00 C ATOM 156 O THR A 11 3.964 -2.232 -12.562 1.00 0.00 O ATOM 157 CB THR A 11 5.270 -1.285 -15.249 1.00 0.00 C ATOM 158 OG1 THR A 11 6.525 -1.695 -15.773 1.00 0.00 O ATOM 159 CG2 THR A 11 5.510 -0.380 -14.033 1.00 0.00 C ATOM 0 H THR A 11 2.770 -1.326 -15.474 1.00 0.00 H new ATOM 0 HA THR A 11 4.837 -3.375 -15.467 1.00 0.00 H new ATOM 0 HB THR A 11 4.707 -0.709 -15.983 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.061 -0.905 -15.995 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.105 0.483 -14.333 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.553 -0.041 -13.637 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.043 -0.938 -13.263 1.00 0.00 H new ATOM 167 N ARG A 12 5.204 -3.962 -13.114 1.00 0.00 N ATOM 168 CA ARG A 12 5.342 -4.420 -11.690 1.00 0.00 C ATOM 169 C ARG A 12 6.721 -4.067 -11.132 1.00 0.00 C ATOM 170 O ARG A 12 7.734 -4.220 -11.783 1.00 0.00 O ATOM 171 CB ARG A 12 5.139 -5.937 -11.614 1.00 0.00 C ATOM 172 CG ARG A 12 4.000 -6.357 -12.558 1.00 0.00 C ATOM 173 CD ARG A 12 3.397 -7.719 -12.136 1.00 0.00 C ATOM 174 NE ARG A 12 3.303 -8.594 -13.336 1.00 0.00 N ATOM 175 CZ ARG A 12 2.582 -8.223 -14.345 1.00 0.00 C ATOM 176 NH1 ARG A 12 1.930 -7.095 -14.302 1.00 0.00 N ATOM 177 NH2 ARG A 12 2.509 -8.991 -15.404 1.00 0.00 N ATOM 0 H ARG A 12 5.684 -4.548 -13.798 1.00 0.00 H new ATOM 0 HA ARG A 12 4.584 -3.912 -11.093 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.060 -6.451 -11.889 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.903 -6.231 -10.591 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.221 -5.595 -12.554 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.376 -6.423 -13.579 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.020 -8.188 -11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.410 -7.575 -11.696 1.00 0.00 H new ATOM 0 HE ARG A 12 3.804 -9.482 -13.363 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.988 -6.504 -13.473 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.362 -6.804 -15.098 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.018 -9.874 -15.429 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.943 -8.705 -16.203 1.00 0.00 H new ATOM 191 N ARG A 13 6.756 -3.601 -9.906 1.00 0.00 N ATOM 192 CA ARG A 13 8.036 -3.233 -9.241 1.00 0.00 C ATOM 193 C ARG A 13 8.073 -3.954 -7.901 1.00 0.00 C ATOM 194 O ARG A 13 7.194 -3.780 -7.081 1.00 0.00 O ATOM 195 CB ARG A 13 8.038 -1.729 -8.995 1.00 0.00 C ATOM 196 CG ARG A 13 9.470 -1.224 -8.695 1.00 0.00 C ATOM 197 CD ARG A 13 10.246 -0.867 -9.994 1.00 0.00 C ATOM 198 NE ARG A 13 10.705 0.555 -9.931 1.00 0.00 N ATOM 199 CZ ARG A 13 9.835 1.519 -9.773 1.00 0.00 C ATOM 200 NH1 ARG A 13 8.572 1.227 -9.674 1.00 0.00 N ATOM 201 NH2 ARG A 13 10.230 2.767 -9.719 1.00 0.00 N ATOM 0 H ARG A 13 5.927 -3.459 -9.329 1.00 0.00 H new ATOM 0 HA ARG A 13 8.895 -3.507 -9.854 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.641 -1.212 -9.869 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.381 -1.492 -8.158 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.417 -0.346 -8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.017 -1.990 -8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.102 -1.531 -10.112 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.606 -1.015 -10.864 1.00 0.00 H new ATOM 0 HE ARG A 13 11.698 0.774 -10.011 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.268 0.254 -9.720 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.885 1.971 -9.551 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.222 2.992 -9.800 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.546 3.514 -9.596 1.00 0.00 H new ATOM 215 N GLU A 14 9.055 -4.775 -7.684 1.00 0.00 N ATOM 216 CA GLU A 14 9.127 -5.535 -6.400 1.00 0.00 C ATOM 217 C GLU A 14 10.253 -4.997 -5.500 1.00 0.00 C ATOM 218 O GLU A 14 11.371 -4.816 -5.944 1.00 0.00 O ATOM 219 CB GLU A 14 9.398 -7.012 -6.710 1.00 0.00 C ATOM 220 CG GLU A 14 8.649 -7.420 -7.987 1.00 0.00 C ATOM 221 CD GLU A 14 8.596 -8.946 -8.080 1.00 0.00 C ATOM 222 OE1 GLU A 14 9.347 -9.588 -7.357 1.00 0.00 O ATOM 223 OE2 GLU A 14 7.807 -9.447 -8.864 1.00 0.00 O ATOM 0 H GLU A 14 9.816 -4.957 -8.339 1.00 0.00 H new ATOM 0 HA GLU A 14 8.179 -5.419 -5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.468 -7.176 -6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.077 -7.634 -5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.639 -7.010 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.150 -7.009 -8.863 1.00 0.00 H new ATOM 230 N LEU A 15 9.973 -4.758 -4.225 1.00 0.00 N ATOM 231 CA LEU A 15 11.038 -4.254 -3.285 1.00 0.00 C ATOM 232 C LEU A 15 11.169 -5.188 -2.095 1.00 0.00 C ATOM 233 O LEU A 15 10.326 -6.019 -1.822 1.00 0.00 O ATOM 234 CB LEU A 15 10.674 -2.863 -2.693 1.00 0.00 C ATOM 235 CG LEU A 15 9.664 -2.136 -3.551 1.00 0.00 C ATOM 236 CD1 LEU A 15 9.300 -0.825 -2.835 1.00 0.00 C ATOM 237 CD2 LEU A 15 10.257 -1.817 -4.943 1.00 0.00 C ATOM 0 H LEU A 15 9.055 -4.891 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 15 11.958 -4.195 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.273 -2.989 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.577 -2.259 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 15 8.783 -2.761 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.571 -0.276 -3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.874 -1.051 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.197 -0.218 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.513 -1.294 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.139 -1.187 -4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.538 -2.745 -5.440 1.00 0.00 H new ATOM 249 N ASP A 16 12.196 -4.963 -1.335 1.00 0.00 N ATOM 250 CA ASP A 16 12.404 -5.714 -0.073 1.00 0.00 C ATOM 251 C ASP A 16 12.087 -4.712 1.032 1.00 0.00 C ATOM 252 O ASP A 16 12.808 -3.753 1.213 1.00 0.00 O ATOM 253 CB ASP A 16 13.867 -6.167 0.022 1.00 0.00 C ATOM 254 CG ASP A 16 14.010 -7.179 1.164 1.00 0.00 C ATOM 255 OD1 ASP A 16 14.084 -6.752 2.304 1.00 0.00 O ATOM 256 OD2 ASP A 16 14.045 -8.364 0.875 1.00 0.00 O ATOM 0 H ASP A 16 12.918 -4.273 -1.541 1.00 0.00 H new ATOM 0 HA ASP A 16 11.782 -6.606 -0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.182 -6.617 -0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.515 -5.308 0.198 1.00 0.00 H new ATOM 261 N VAL A 17 11.037 -4.922 1.784 1.00 0.00 N ATOM 262 CA VAL A 17 10.691 -3.976 2.902 1.00 0.00 C ATOM 263 C VAL A 17 10.975 -4.708 4.213 1.00 0.00 C ATOM 264 O VAL A 17 10.456 -5.776 4.465 1.00 0.00 O ATOM 265 CB VAL A 17 9.198 -3.578 2.779 1.00 0.00 C ATOM 266 CG1 VAL A 17 8.889 -2.247 3.517 1.00 0.00 C ATOM 267 CG2 VAL A 17 8.895 -3.404 1.286 1.00 0.00 C ATOM 0 H VAL A 17 10.398 -5.710 1.676 1.00 0.00 H new ATOM 0 HA VAL A 17 11.280 -3.060 2.864 1.00 0.00 H new ATOM 0 HB VAL A 17 8.582 -4.354 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.832 -2.006 3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.127 -2.354 4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.491 -1.445 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.850 -3.123 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.534 -2.623 0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.085 -4.342 0.764 1.00 0.00 H new ATOM 277 N ALA A 18 11.833 -4.161 5.034 1.00 0.00 N ATOM 278 CA ALA A 18 12.195 -4.847 6.305 1.00 0.00 C ATOM 279 C ALA A 18 11.004 -4.905 7.263 1.00 0.00 C ATOM 280 O ALA A 18 10.047 -4.166 7.143 1.00 0.00 O ATOM 281 CB ALA A 18 13.357 -4.106 6.978 1.00 0.00 C ATOM 0 H ALA A 18 12.298 -3.267 4.877 1.00 0.00 H new ATOM 0 HA ALA A 18 12.493 -5.868 6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.620 -4.610 7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 18 14.220 -4.100 6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.058 -3.080 7.193 1.00 0.00 H new ATOM 287 N ASP A 19 11.080 -5.791 8.215 1.00 0.00 N ATOM 288 CA ASP A 19 9.993 -5.941 9.201 1.00 0.00 C ATOM 289 C ASP A 19 9.789 -4.626 9.937 1.00 0.00 C ATOM 290 O ASP A 19 10.722 -3.935 10.295 1.00 0.00 O ATOM 291 CB ASP A 19 10.373 -7.027 10.212 1.00 0.00 C ATOM 292 CG ASP A 19 11.771 -6.749 10.761 1.00 0.00 C ATOM 293 OD1 ASP A 19 12.732 -7.091 10.094 1.00 0.00 O ATOM 294 OD2 ASP A 19 11.855 -6.198 11.845 1.00 0.00 O ATOM 0 H ASP A 19 11.867 -6.426 8.348 1.00 0.00 H new ATOM 0 HA ASP A 19 9.073 -6.219 8.687 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.649 -7.049 11.027 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.347 -8.007 9.736 1.00 0.00 H new ATOM 299 N GLY A 20 8.562 -4.298 10.183 1.00 0.00 N ATOM 300 CA GLY A 20 8.258 -3.040 10.920 1.00 0.00 C ATOM 301 C GLY A 20 8.285 -1.834 9.973 1.00 0.00 C ATOM 302 O GLY A 20 8.047 -0.723 10.408 1.00 0.00 O ATOM 0 H GLY A 20 7.747 -4.846 9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.278 -3.117 11.391 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.985 -2.897 11.719 1.00 0.00 H new ATOM 306 N VAL A 21 8.578 -2.005 8.708 1.00 0.00 N ATOM 307 CA VAL A 21 8.617 -0.821 7.789 1.00 0.00 C ATOM 308 C VAL A 21 7.266 -0.662 7.108 1.00 0.00 C ATOM 309 O VAL A 21 6.564 -1.626 6.865 1.00 0.00 O ATOM 310 CB VAL A 21 9.664 -1.042 6.704 1.00 0.00 C ATOM 311 CG1 VAL A 21 9.704 0.172 5.775 1.00 0.00 C ATOM 312 CG2 VAL A 21 11.048 -1.271 7.301 1.00 0.00 C ATOM 0 H VAL A 21 8.790 -2.903 8.273 1.00 0.00 H new ATOM 0 HA VAL A 21 8.860 0.066 8.373 1.00 0.00 H new ATOM 0 HB VAL A 21 9.385 -1.934 6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.453 0.012 5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.727 0.309 5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.961 1.062 6.350 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.769 -1.425 6.499 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.339 -0.400 7.889 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.026 -2.152 7.943 1.00 0.00 H new ATOM 322 N SER A 22 6.898 0.543 6.776 1.00 0.00 N ATOM 323 CA SER A 22 5.592 0.757 6.089 1.00 0.00 C ATOM 324 C SER A 22 5.781 0.591 4.582 1.00 0.00 C ATOM 325 O SER A 22 6.727 1.089 4.012 1.00 0.00 O ATOM 326 CB SER A 22 5.081 2.171 6.389 1.00 0.00 C ATOM 327 OG SER A 22 5.563 3.067 5.398 1.00 0.00 O ATOM 0 H SER A 22 7.442 1.388 6.949 1.00 0.00 H new ATOM 0 HA SER A 22 4.866 0.027 6.448 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.991 2.180 6.404 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.416 2.489 7.376 1.00 0.00 H new ATOM 0 HG SER A 22 5.016 3.880 5.398 1.00 0.00 H new ATOM 333 N LEU A 23 4.889 -0.097 3.932 1.00 0.00 N ATOM 334 CA LEU A 23 5.021 -0.279 2.456 1.00 0.00 C ATOM 335 C LEU A 23 5.315 1.072 1.806 1.00 0.00 C ATOM 336 O LEU A 23 5.986 1.161 0.793 1.00 0.00 O ATOM 337 CB LEU A 23 3.703 -0.827 1.902 1.00 0.00 C ATOM 338 CG LEU A 23 3.611 -2.346 2.147 1.00 0.00 C ATOM 339 CD1 LEU A 23 2.164 -2.792 1.954 1.00 0.00 C ATOM 340 CD2 LEU A 23 4.493 -3.117 1.152 1.00 0.00 C ATOM 0 H LEU A 23 4.074 -0.542 4.354 1.00 0.00 H new ATOM 0 HA LEU A 23 5.832 -0.974 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.862 -0.323 2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.635 -0.619 0.834 1.00 0.00 H new ATOM 0 HG LEU A 23 3.953 -2.554 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.088 -3.866 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.524 -2.266 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.845 -2.563 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.411 -4.186 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.164 -2.906 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.531 -2.806 1.269 1.00 0.00 H new ATOM 352 N MET A 24 4.813 2.120 2.386 1.00 0.00 N ATOM 353 CA MET A 24 5.051 3.467 1.817 1.00 0.00 C ATOM 354 C MET A 24 6.512 3.859 2.060 1.00 0.00 C ATOM 355 O MET A 24 7.134 4.499 1.236 1.00 0.00 O ATOM 356 CB MET A 24 4.127 4.463 2.514 1.00 0.00 C ATOM 357 CG MET A 24 4.363 5.882 1.984 1.00 0.00 C ATOM 358 SD MET A 24 4.062 5.928 0.193 1.00 0.00 S ATOM 359 CE MET A 24 4.177 7.723 -0.002 1.00 0.00 C ATOM 0 H MET A 24 4.246 2.101 3.233 1.00 0.00 H new ATOM 0 HA MET A 24 4.850 3.468 0.746 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.088 4.177 2.353 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.301 4.437 3.590 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.701 6.584 2.491 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.385 6.195 2.198 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.599 7.956 -0.979 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.183 8.162 0.078 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.818 8.133 0.778 1.00 0.00 H new ATOM 369 N GLN A 25 7.069 3.478 3.178 1.00 0.00 N ATOM 370 CA GLN A 25 8.491 3.831 3.453 1.00 0.00 C ATOM 371 C GLN A 25 9.364 3.258 2.335 1.00 0.00 C ATOM 372 O GLN A 25 10.096 3.979 1.681 1.00 0.00 O ATOM 373 CB GLN A 25 8.923 3.253 4.827 1.00 0.00 C ATOM 374 CG GLN A 25 8.807 4.323 5.918 1.00 0.00 C ATOM 375 CD GLN A 25 7.379 4.866 5.958 1.00 0.00 C ATOM 376 OE1 GLN A 25 6.943 5.532 5.044 1.00 0.00 O ATOM 377 NE2 GLN A 25 6.625 4.609 6.995 1.00 0.00 N ATOM 0 H GLN A 25 6.604 2.940 3.909 1.00 0.00 H new ATOM 0 HA GLN A 25 8.606 4.914 3.486 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.298 2.397 5.081 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.950 2.893 4.770 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.072 3.899 6.886 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.509 5.133 5.722 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.990 4.049 7.765 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.671 4.969 7.034 1.00 0.00 H new ATOM 386 N ALA A 26 9.296 1.973 2.090 1.00 0.00 N ATOM 387 CA ALA A 26 10.136 1.393 0.995 1.00 0.00 C ATOM 388 C ALA A 26 9.700 1.939 -0.371 1.00 0.00 C ATOM 389 O ALA A 26 10.485 1.991 -1.294 1.00 0.00 O ATOM 390 CB ALA A 26 10.005 -0.132 0.997 1.00 0.00 C ATOM 0 H ALA A 26 8.706 1.309 2.591 1.00 0.00 H new ATOM 0 HA ALA A 26 11.174 1.675 1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.618 -0.551 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.341 -0.525 1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.963 -0.408 0.837 1.00 0.00 H new ATOM 396 N ALA A 27 8.469 2.350 -0.513 1.00 0.00 N ATOM 397 CA ALA A 27 8.006 2.893 -1.828 1.00 0.00 C ATOM 398 C ALA A 27 8.742 4.198 -2.153 1.00 0.00 C ATOM 399 O ALA A 27 9.482 4.284 -3.115 1.00 0.00 O ATOM 400 CB ALA A 27 6.514 3.194 -1.717 1.00 0.00 C ATOM 0 H ALA A 27 7.762 2.334 0.222 1.00 0.00 H new ATOM 0 HA ALA A 27 8.206 2.165 -2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.152 3.592 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.975 2.277 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.349 3.928 -0.928 1.00 0.00 H new ATOM 406 N VAL A 28 8.523 5.215 -1.365 1.00 0.00 N ATOM 407 CA VAL A 28 9.181 6.532 -1.628 1.00 0.00 C ATOM 408 C VAL A 28 10.691 6.341 -1.789 1.00 0.00 C ATOM 409 O VAL A 28 11.376 7.182 -2.339 1.00 0.00 O ATOM 410 CB VAL A 28 8.911 7.470 -0.441 1.00 0.00 C ATOM 411 CG1 VAL A 28 9.717 8.762 -0.610 1.00 0.00 C ATOM 412 CG2 VAL A 28 7.418 7.804 -0.397 1.00 0.00 C ATOM 0 H VAL A 28 7.915 5.193 -0.547 1.00 0.00 H new ATOM 0 HA VAL A 28 8.778 6.962 -2.545 1.00 0.00 H new ATOM 0 HB VAL A 28 9.208 6.980 0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.523 9.425 0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.780 8.525 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.422 9.257 -1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.219 8.469 0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.127 8.295 -1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.843 6.886 -0.277 1.00 0.00 H new ATOM 422 N SER A 29 11.215 5.253 -1.312 1.00 0.00 N ATOM 423 CA SER A 29 12.686 5.002 -1.414 1.00 0.00 C ATOM 424 C SER A 29 12.990 4.307 -2.740 1.00 0.00 C ATOM 425 O SER A 29 14.110 4.311 -3.210 1.00 0.00 O ATOM 426 CB SER A 29 13.090 4.093 -0.256 1.00 0.00 C ATOM 427 OG SER A 29 13.703 2.903 -0.737 1.00 0.00 O ATOM 0 H SER A 29 10.686 4.514 -0.849 1.00 0.00 H new ATOM 0 HA SER A 29 13.239 5.940 -1.370 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.779 4.621 0.403 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.211 3.840 0.337 1.00 0.00 H new ATOM 0 HG SER A 29 13.955 2.336 0.021 1.00 0.00 H new ATOM 433 N ASN A 30 11.987 3.733 -3.342 1.00 0.00 N ATOM 434 CA ASN A 30 12.175 3.055 -4.646 1.00 0.00 C ATOM 435 C ASN A 30 11.487 3.886 -5.722 1.00 0.00 C ATOM 436 O ASN A 30 11.370 3.470 -6.859 1.00 0.00 O ATOM 437 CB ASN A 30 11.534 1.676 -4.579 1.00 0.00 C ATOM 438 CG ASN A 30 12.419 0.750 -3.744 1.00 0.00 C ATOM 439 OD1 ASN A 30 13.033 -0.157 -4.261 1.00 0.00 O ATOM 440 ND2 ASN A 30 12.511 0.946 -2.453 1.00 0.00 N ATOM 0 H ASN A 30 11.034 3.707 -2.978 1.00 0.00 H new ATOM 0 HA ASN A 30 13.235 2.952 -4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.540 1.745 -4.137 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.409 1.271 -5.583 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.099 0.336 -1.885 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.995 1.709 -2.015 1.00 0.00 H new ATOM 447 N GLY A 31 11.095 5.094 -5.397 1.00 0.00 N ATOM 448 CA GLY A 31 10.493 5.977 -6.450 1.00 0.00 C ATOM 449 C GLY A 31 9.129 5.443 -6.889 1.00 0.00 C ATOM 450 O GLY A 31 8.874 5.335 -8.073 1.00 0.00 O ATOM 0 H GLY A 31 11.163 5.503 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.385 6.990 -6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.161 6.033 -7.310 1.00 0.00 H new ATOM 454 N ILE A 32 8.272 5.050 -5.983 1.00 0.00 N ATOM 455 CA ILE A 32 6.954 4.457 -6.399 1.00 0.00 C ATOM 456 C ILE A 32 5.744 5.309 -5.993 1.00 0.00 C ATOM 457 O ILE A 32 5.057 5.848 -6.844 1.00 0.00 O ATOM 458 CB ILE A 32 6.857 3.074 -5.754 1.00 0.00 C ATOM 459 CG1 ILE A 32 8.082 2.262 -6.192 1.00 0.00 C ATOM 460 CG2 ILE A 32 5.578 2.338 -6.177 1.00 0.00 C ATOM 461 CD1 ILE A 32 7.931 0.795 -5.773 1.00 0.00 C ATOM 0 H ILE A 32 8.421 5.111 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 32 6.926 4.406 -7.487 1.00 0.00 H new ATOM 0 HB ILE A 32 6.825 3.189 -4.671 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.201 2.327 -7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.983 2.683 -5.746 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.546 1.359 -5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.707 2.919 -5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.572 2.212 -7.260 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.809 0.233 -6.092 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.835 0.734 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.041 0.373 -6.240 1.00 0.00 H new ATOM 473 N TYR A 33 5.484 5.464 -4.725 1.00 0.00 N ATOM 474 CA TYR A 33 4.329 6.314 -4.286 1.00 0.00 C ATOM 475 C TYR A 33 4.750 7.771 -4.088 1.00 0.00 C ATOM 476 O TYR A 33 4.004 8.553 -3.532 1.00 0.00 O ATOM 477 CB TYR A 33 3.721 5.736 -2.995 1.00 0.00 C ATOM 478 CG TYR A 33 2.679 4.703 -3.358 1.00 0.00 C ATOM 479 CD1 TYR A 33 1.361 5.107 -3.603 1.00 0.00 C ATOM 480 CD2 TYR A 33 3.033 3.355 -3.477 1.00 0.00 C ATOM 481 CE1 TYR A 33 0.399 4.163 -3.966 1.00 0.00 C ATOM 482 CE2 TYR A 33 2.068 2.411 -3.837 1.00 0.00 C ATOM 483 CZ TYR A 33 0.752 2.814 -4.087 1.00 0.00 C ATOM 484 OH TYR A 33 -0.195 1.884 -4.450 1.00 0.00 O ATOM 0 H TYR A 33 6.020 5.040 -3.968 1.00 0.00 H new ATOM 0 HA TYR A 33 3.573 6.302 -5.071 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.501 5.284 -2.382 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.271 6.532 -2.402 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.089 6.148 -3.511 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.051 3.044 -3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.618 4.474 -4.154 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.338 1.369 -3.922 1.00 0.00 H new ATOM 0 HH TYR A 33 0.009 1.026 -4.023 1.00 0.00 H new ATOM 494 N ASP A 34 5.927 8.155 -4.473 1.00 0.00 N ATOM 495 CA ASP A 34 6.340 9.558 -4.230 1.00 0.00 C ATOM 496 C ASP A 34 5.357 10.525 -4.888 1.00 0.00 C ATOM 497 O ASP A 34 4.302 10.812 -4.354 1.00 0.00 O ATOM 498 CB ASP A 34 7.743 9.781 -4.802 1.00 0.00 C ATOM 499 CG ASP A 34 7.842 9.127 -6.183 1.00 0.00 C ATOM 500 OD1 ASP A 34 7.531 7.951 -6.283 1.00 0.00 O ATOM 501 OD2 ASP A 34 8.227 9.813 -7.115 1.00 0.00 O ATOM 0 H ASP A 34 6.616 7.566 -4.941 1.00 0.00 H new ATOM 0 HA ASP A 34 6.346 9.744 -3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.951 10.848 -4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.492 9.357 -4.133 1.00 0.00 H new ATOM 506 N ILE A 35 5.721 11.036 -6.028 1.00 0.00 N ATOM 507 CA ILE A 35 4.849 12.020 -6.742 1.00 0.00 C ATOM 508 C ILE A 35 4.246 12.993 -5.720 1.00 0.00 C ATOM 509 O ILE A 35 3.045 13.143 -5.618 1.00 0.00 O ATOM 510 CB ILE A 35 3.724 11.280 -7.475 1.00 0.00 C ATOM 511 CG1 ILE A 35 4.303 10.089 -8.246 1.00 0.00 C ATOM 512 CG2 ILE A 35 3.033 12.233 -8.455 1.00 0.00 C ATOM 513 CD1 ILE A 35 5.486 10.546 -9.112 1.00 0.00 C ATOM 0 H ILE A 35 6.595 10.814 -6.505 1.00 0.00 H new ATOM 0 HA ILE A 35 5.443 12.573 -7.469 1.00 0.00 H new ATOM 0 HB ILE A 35 2.999 10.920 -6.745 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.630 9.318 -7.548 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.532 9.644 -8.875 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.234 11.704 -8.974 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.613 13.077 -7.907 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.759 12.597 -9.182 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.890 9.692 -9.656 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.147 11.301 -9.822 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.261 10.970 -8.474 1.00 0.00 H new ATOM 525 N VAL A 36 5.082 13.630 -4.933 1.00 0.00 N ATOM 526 CA VAL A 36 4.583 14.575 -3.889 1.00 0.00 C ATOM 527 C VAL A 36 3.741 13.803 -2.871 1.00 0.00 C ATOM 528 O VAL A 36 2.635 13.386 -3.151 1.00 0.00 O ATOM 529 CB VAL A 36 3.733 15.681 -4.535 1.00 0.00 C ATOM 530 CG1 VAL A 36 3.569 16.835 -3.543 1.00 0.00 C ATOM 531 CG2 VAL A 36 4.430 16.199 -5.793 1.00 0.00 C ATOM 0 H VAL A 36 6.097 13.533 -4.972 1.00 0.00 H new ATOM 0 HA VAL A 36 5.433 15.037 -3.387 1.00 0.00 H new ATOM 0 HB VAL A 36 2.756 15.277 -4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.967 17.622 -3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.074 16.473 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.550 17.233 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.824 16.983 -6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.407 16.603 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.557 15.381 -6.502 1.00 0.00 H new ATOM 541 N GLY A 37 4.264 13.600 -1.687 1.00 0.00 N ATOM 542 CA GLY A 37 3.503 12.847 -0.644 1.00 0.00 C ATOM 543 C GLY A 37 2.567 13.798 0.097 1.00 0.00 C ATOM 544 O GLY A 37 2.962 14.864 0.532 1.00 0.00 O ATOM 0 H GLY A 37 5.187 13.924 -1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.929 12.044 -1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.194 12.381 0.058 1.00 0.00 H new ATOM 548 N ASP A 38 1.326 13.422 0.260 1.00 0.00 N ATOM 549 CA ASP A 38 0.361 14.305 0.969 1.00 0.00 C ATOM 550 C ASP A 38 0.726 14.386 2.463 1.00 0.00 C ATOM 551 O ASP A 38 1.200 15.403 2.932 1.00 0.00 O ATOM 552 CB ASP A 38 -1.064 13.744 0.808 1.00 0.00 C ATOM 553 CG ASP A 38 -1.704 14.312 -0.462 1.00 0.00 C ATOM 554 OD1 ASP A 38 -1.005 14.417 -1.453 1.00 0.00 O ATOM 555 OD2 ASP A 38 -2.880 14.632 -0.418 1.00 0.00 O ATOM 0 H ASP A 38 0.940 12.537 -0.070 1.00 0.00 H new ATOM 0 HA ASP A 38 0.405 15.306 0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.033 12.656 0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.667 14.004 1.678 1.00 0.00 H new ATOM 560 N CYS A 39 0.499 13.333 3.217 1.00 0.00 N ATOM 561 CA CYS A 39 0.827 13.377 4.687 1.00 0.00 C ATOM 562 C CYS A 39 2.179 12.713 4.955 1.00 0.00 C ATOM 563 O CYS A 39 2.586 12.561 6.092 1.00 0.00 O ATOM 564 CB CYS A 39 -0.263 12.663 5.500 1.00 0.00 C ATOM 565 SG CYS A 39 -0.065 10.864 5.402 1.00 0.00 S ATOM 0 H CYS A 39 0.105 12.453 2.885 1.00 0.00 H new ATOM 0 HA CYS A 39 0.876 14.422 4.992 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.214 12.982 6.541 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.247 12.946 5.125 1.00 0.00 H new ATOM 570 N GLY A 40 2.886 12.325 3.929 1.00 0.00 N ATOM 571 CA GLY A 40 4.215 11.684 4.151 1.00 0.00 C ATOM 572 C GLY A 40 4.031 10.276 4.724 1.00 0.00 C ATOM 573 O GLY A 40 4.985 9.543 4.894 1.00 0.00 O ATOM 0 H GLY A 40 2.605 12.423 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.765 11.634 3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.809 12.289 4.836 1.00 0.00 H new ATOM 577 N GLY A 41 2.813 9.888 5.006 1.00 0.00 N ATOM 578 CA GLY A 41 2.556 8.521 5.564 1.00 0.00 C ATOM 579 C GLY A 41 2.213 8.608 7.051 1.00 0.00 C ATOM 580 O GLY A 41 2.465 7.691 7.805 1.00 0.00 O ATOM 0 H GLY A 41 1.980 10.461 4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.737 8.048 5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.435 7.893 5.423 1.00 0.00 H new ATOM 584 N SER A 42 1.629 9.697 7.473 1.00 0.00 N ATOM 585 CA SER A 42 1.255 9.844 8.919 1.00 0.00 C ATOM 586 C SER A 42 -0.229 9.506 9.086 1.00 0.00 C ATOM 587 O SER A 42 -0.866 9.918 10.033 1.00 0.00 O ATOM 588 CB SER A 42 1.497 11.286 9.357 1.00 0.00 C ATOM 589 OG SER A 42 2.869 11.610 9.179 1.00 0.00 O ATOM 0 H SER A 42 1.393 10.494 6.882 1.00 0.00 H new ATOM 0 HA SER A 42 1.858 9.171 9.529 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.873 11.964 8.774 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.215 11.412 10.402 1.00 0.00 H new ATOM 0 HG SER A 42 3.013 11.934 8.265 1.00 0.00 H new ATOM 595 N ALA A 43 -0.783 8.757 8.172 1.00 0.00 N ATOM 596 CA ALA A 43 -2.224 8.388 8.265 1.00 0.00 C ATOM 597 C ALA A 43 -3.080 9.654 8.350 1.00 0.00 C ATOM 598 O ALA A 43 -3.785 9.874 9.313 1.00 0.00 O ATOM 599 CB ALA A 43 -2.451 7.539 9.517 1.00 0.00 C ATOM 0 H ALA A 43 -0.295 8.382 7.359 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.507 7.820 7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.504 7.268 9.587 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.847 6.634 9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.164 8.109 10.400 1.00 0.00 H new ATOM 605 N SER A 44 -3.027 10.493 7.346 1.00 0.00 N ATOM 606 CA SER A 44 -3.841 11.747 7.376 1.00 0.00 C ATOM 607 C SER A 44 -4.281 12.114 5.952 1.00 0.00 C ATOM 608 O SER A 44 -4.647 13.240 5.680 1.00 0.00 O ATOM 609 CB SER A 44 -3.002 12.885 7.966 1.00 0.00 C ATOM 610 OG SER A 44 -2.160 12.362 8.987 1.00 0.00 O ATOM 0 H SER A 44 -2.457 10.365 6.510 1.00 0.00 H new ATOM 0 HA SER A 44 -4.725 11.590 7.994 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.401 13.353 7.186 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.652 13.659 8.374 1.00 0.00 H new ATOM 0 HG SER A 44 -1.619 13.085 9.368 1.00 0.00 H new ATOM 616 N CYS A 45 -4.250 11.177 5.034 1.00 0.00 N ATOM 617 CA CYS A 45 -4.671 11.494 3.633 1.00 0.00 C ATOM 618 C CYS A 45 -5.098 10.210 2.913 1.00 0.00 C ATOM 619 O CYS A 45 -5.252 9.167 3.524 1.00 0.00 O ATOM 620 CB CYS A 45 -3.504 12.153 2.877 1.00 0.00 C ATOM 621 SG CYS A 45 -2.360 10.894 2.238 1.00 0.00 S ATOM 0 H CYS A 45 -3.954 10.214 5.193 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.515 12.183 3.661 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.890 12.752 2.053 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.971 12.832 3.542 1.00 0.00 H new ATOM 626 N ALA A 46 -5.278 10.288 1.618 1.00 0.00 N ATOM 627 CA ALA A 46 -5.687 9.089 0.824 1.00 0.00 C ATOM 628 C ALA A 46 -4.704 8.912 -0.335 1.00 0.00 C ATOM 629 O ALA A 46 -4.881 8.065 -1.186 1.00 0.00 O ATOM 630 CB ALA A 46 -7.099 9.302 0.269 1.00 0.00 C ATOM 0 H ALA A 46 -5.158 11.141 1.071 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.681 8.202 1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.398 8.428 -0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.796 9.446 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.109 10.183 -0.373 1.00 0.00 H new ATOM 636 N THR A 47 -3.665 9.705 -0.366 1.00 0.00 N ATOM 637 CA THR A 47 -2.661 9.588 -1.461 1.00 0.00 C ATOM 638 C THR A 47 -2.172 8.143 -1.541 1.00 0.00 C ATOM 639 O THR A 47 -1.806 7.656 -2.594 1.00 0.00 O ATOM 640 CB THR A 47 -1.475 10.518 -1.158 1.00 0.00 C ATOM 641 OG1 THR A 47 -1.875 11.864 -1.360 1.00 0.00 O ATOM 642 CG2 THR A 47 -0.288 10.198 -2.079 1.00 0.00 C ATOM 0 H THR A 47 -3.469 10.431 0.323 1.00 0.00 H new ATOM 0 HA THR A 47 -3.113 9.872 -2.412 1.00 0.00 H new ATOM 0 HB THR A 47 -1.166 10.369 -0.124 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.950 12.042 -2.321 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.541 10.867 -1.849 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.025 9.165 -1.924 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.587 10.334 -3.118 1.00 0.00 H new ATOM 650 N CYS A 48 -2.157 7.462 -0.440 1.00 0.00 N ATOM 651 CA CYS A 48 -1.687 6.052 -0.421 1.00 0.00 C ATOM 652 C CYS A 48 -2.856 5.112 -0.739 1.00 0.00 C ATOM 653 O CYS A 48 -2.968 4.039 -0.187 1.00 0.00 O ATOM 654 CB CYS A 48 -1.103 5.734 0.948 1.00 0.00 C ATOM 655 SG CYS A 48 -2.316 6.145 2.228 1.00 0.00 S ATOM 0 H CYS A 48 -2.455 7.825 0.465 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.914 5.911 -1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.839 4.678 1.007 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.185 6.301 1.105 1.00 0.00 H new ATOM 660 N HIS A 49 -3.729 5.517 -1.624 1.00 0.00 N ATOM 661 CA HIS A 49 -4.897 4.660 -1.999 1.00 0.00 C ATOM 662 C HIS A 49 -4.390 3.493 -2.857 1.00 0.00 C ATOM 663 O HIS A 49 -3.989 3.691 -3.985 1.00 0.00 O ATOM 664 CB HIS A 49 -5.874 5.522 -2.819 1.00 0.00 C ATOM 665 CG HIS A 49 -6.913 4.680 -3.521 1.00 0.00 C ATOM 666 ND1 HIS A 49 -7.779 3.805 -2.872 1.00 0.00 N ATOM 667 CD2 HIS A 49 -7.239 4.594 -4.845 1.00 0.00 C ATOM 668 CE1 HIS A 49 -8.573 3.240 -3.816 1.00 0.00 C ATOM 669 NE2 HIS A 49 -8.274 3.688 -5.027 1.00 0.00 N ATOM 0 H HIS A 49 -3.684 6.413 -2.109 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.398 4.268 -1.114 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.369 6.236 -2.161 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.317 6.101 -3.556 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.811 3.622 -1.869 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.760 5.151 -5.636 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.349 2.518 -3.607 1.00 0.00 H new ATOM 678 N VAL A 50 -4.407 2.275 -2.354 1.00 0.00 N ATOM 679 CA VAL A 50 -3.927 1.119 -3.183 1.00 0.00 C ATOM 680 C VAL A 50 -4.809 -0.088 -2.896 1.00 0.00 C ATOM 681 O VAL A 50 -5.687 -0.043 -2.054 1.00 0.00 O ATOM 682 CB VAL A 50 -2.443 0.784 -2.859 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.741 2.024 -2.318 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.331 -0.332 -1.803 1.00 0.00 C ATOM 0 H VAL A 50 -4.729 2.035 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.988 1.384 -4.239 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.975 0.446 -3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.702 1.785 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.777 2.817 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.242 2.358 -1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.280 -0.539 -1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.820 -0.013 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.814 -1.235 -2.176 1.00 0.00 H new ATOM 694 N TYR A 51 -4.579 -1.164 -3.592 1.00 0.00 N ATOM 695 CA TYR A 51 -5.380 -2.392 -3.390 1.00 0.00 C ATOM 696 C TYR A 51 -4.431 -3.554 -3.042 1.00 0.00 C ATOM 697 O TYR A 51 -3.651 -4.015 -3.856 1.00 0.00 O ATOM 698 CB TYR A 51 -6.117 -2.639 -4.696 1.00 0.00 C ATOM 699 CG TYR A 51 -7.077 -1.488 -4.929 1.00 0.00 C ATOM 700 CD1 TYR A 51 -8.279 -1.384 -4.206 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.749 -0.504 -5.875 1.00 0.00 C ATOM 702 CE1 TYR A 51 -9.140 -0.306 -4.444 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.612 0.561 -6.095 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.798 0.665 -5.391 1.00 0.00 C ATOM 705 OH TYR A 51 -9.637 1.719 -5.649 1.00 0.00 O ATOM 0 H TYR A 51 -3.854 -1.241 -4.306 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.094 -2.299 -2.572 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.410 -2.716 -5.522 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.660 -3.583 -4.652 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.536 -2.132 -3.471 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.826 -0.575 -6.431 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.068 -0.224 -3.897 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.355 1.316 -6.823 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.107 2.512 -5.874 1.00 0.00 H new ATOM 715 N VAL A 52 -4.525 -4.021 -1.825 1.00 0.00 N ATOM 716 CA VAL A 52 -3.666 -5.157 -1.367 1.00 0.00 C ATOM 717 C VAL A 52 -4.367 -6.472 -1.682 1.00 0.00 C ATOM 718 O VAL A 52 -5.534 -6.646 -1.395 1.00 0.00 O ATOM 719 CB VAL A 52 -3.424 -5.091 0.144 1.00 0.00 C ATOM 720 CG1 VAL A 52 -2.626 -6.322 0.581 1.00 0.00 C ATOM 721 CG2 VAL A 52 -2.634 -3.825 0.502 1.00 0.00 C ATOM 0 H VAL A 52 -5.167 -3.661 -1.119 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.709 -5.090 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.386 -5.067 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.451 -6.279 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.188 -7.224 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.670 -6.340 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.469 -3.791 1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.673 -3.838 -0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.198 -2.945 0.193 1.00 0.00 H new ATOM 731 N ASN A 53 -3.667 -7.411 -2.255 1.00 0.00 N ATOM 732 CA ASN A 53 -4.314 -8.707 -2.555 1.00 0.00 C ATOM 733 C ASN A 53 -4.966 -9.230 -1.276 1.00 0.00 C ATOM 734 O ASN A 53 -4.321 -9.386 -0.264 1.00 0.00 O ATOM 735 CB ASN A 53 -3.285 -9.714 -3.080 1.00 0.00 C ATOM 736 CG ASN A 53 -1.957 -9.582 -2.328 1.00 0.00 C ATOM 737 OD1 ASN A 53 -1.658 -8.558 -1.748 1.00 0.00 O ATOM 738 ND2 ASN A 53 -1.140 -10.597 -2.309 1.00 0.00 N ATOM 0 H ASN A 53 -2.686 -7.334 -2.524 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.070 -8.570 -3.328 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.672 -10.727 -2.968 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.122 -9.551 -4.145 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.254 -10.529 -1.808 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.387 -11.459 -2.795 1.00 0.00 H new ATOM 745 N GLU A 54 -6.252 -9.450 -1.311 1.00 0.00 N ATOM 746 CA GLU A 54 -6.993 -9.925 -0.098 1.00 0.00 C ATOM 747 C GLU A 54 -6.273 -11.100 0.575 1.00 0.00 C ATOM 748 O GLU A 54 -6.723 -11.599 1.581 1.00 0.00 O ATOM 749 CB GLU A 54 -8.390 -10.375 -0.518 1.00 0.00 C ATOM 750 CG GLU A 54 -8.275 -11.354 -1.686 1.00 0.00 C ATOM 751 CD GLU A 54 -9.649 -11.962 -1.979 1.00 0.00 C ATOM 752 OE1 GLU A 54 -10.412 -12.126 -1.037 1.00 0.00 O ATOM 753 OE2 GLU A 54 -9.914 -12.251 -3.129 1.00 0.00 O ATOM 0 H GLU A 54 -6.833 -9.320 -2.139 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.047 -9.103 0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.899 -10.850 0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.990 -9.513 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.897 -10.840 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.561 -12.141 -1.446 1.00 0.00 H new ATOM 760 N ALA A 55 -5.172 -11.556 0.039 1.00 0.00 N ATOM 761 CA ALA A 55 -4.460 -12.703 0.669 1.00 0.00 C ATOM 762 C ALA A 55 -3.515 -12.220 1.783 1.00 0.00 C ATOM 763 O ALA A 55 -3.077 -13.011 2.593 1.00 0.00 O ATOM 764 CB ALA A 55 -3.655 -13.448 -0.392 1.00 0.00 C ATOM 0 H ALA A 55 -4.737 -11.184 -0.805 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.202 -13.369 1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.134 -14.287 0.069 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.328 -13.819 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.927 -12.771 -0.839 1.00 0.00 H new ATOM 770 N PHE A 56 -3.176 -10.949 1.844 1.00 0.00 N ATOM 771 CA PHE A 56 -2.251 -10.439 2.898 1.00 0.00 C ATOM 772 C PHE A 56 -3.030 -9.445 3.767 1.00 0.00 C ATOM 773 O PHE A 56 -2.559 -8.970 4.780 1.00 0.00 O ATOM 774 CB PHE A 56 -1.083 -9.726 2.199 1.00 0.00 C ATOM 775 CG PHE A 56 -0.288 -10.747 1.401 1.00 0.00 C ATOM 776 CD1 PHE A 56 -0.841 -11.338 0.263 1.00 0.00 C ATOM 777 CD2 PHE A 56 0.988 -11.125 1.832 1.00 0.00 C ATOM 778 CE1 PHE A 56 -0.119 -12.308 -0.444 1.00 0.00 C ATOM 779 CE2 PHE A 56 1.711 -12.086 1.122 1.00 0.00 C ATOM 780 CZ PHE A 56 1.158 -12.685 -0.006 1.00 0.00 C ATOM 0 H PHE A 56 -3.510 -10.237 1.194 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.866 -11.246 3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.459 -8.943 1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.442 -9.242 2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.826 -11.047 -0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.415 -10.673 2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.545 -12.765 -1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.702 -12.365 1.449 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.713 -13.440 -0.544 1.00 0.00 H new ATOM 790 N THR A 57 -4.228 -9.139 3.349 1.00 0.00 N ATOM 791 CA THR A 57 -5.090 -8.181 4.102 1.00 0.00 C ATOM 792 C THR A 57 -5.550 -8.793 5.422 1.00 0.00 C ATOM 793 O THR A 57 -5.534 -8.153 6.453 1.00 0.00 O ATOM 794 CB THR A 57 -6.331 -7.877 3.272 1.00 0.00 C ATOM 795 OG1 THR A 57 -7.002 -9.091 2.957 1.00 0.00 O ATOM 796 CG2 THR A 57 -5.906 -7.183 1.985 1.00 0.00 C ATOM 0 H THR A 57 -4.654 -9.518 2.503 1.00 0.00 H new ATOM 0 HA THR A 57 -4.513 -7.277 4.299 1.00 0.00 H new ATOM 0 HB THR A 57 -7.004 -7.231 3.836 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.878 -8.889 2.566 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.787 -6.961 1.383 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.388 -6.255 2.226 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.238 -7.836 1.423 1.00 0.00 H new ATOM 804 N ASP A 58 -5.970 -10.026 5.394 1.00 0.00 N ATOM 805 CA ASP A 58 -6.443 -10.680 6.647 1.00 0.00 C ATOM 806 C ASP A 58 -5.238 -11.188 7.422 1.00 0.00 C ATOM 807 O ASP A 58 -5.358 -11.740 8.498 1.00 0.00 O ATOM 808 CB ASP A 58 -7.369 -11.844 6.288 1.00 0.00 C ATOM 809 CG ASP A 58 -6.570 -12.942 5.578 1.00 0.00 C ATOM 810 OD1 ASP A 58 -5.775 -12.606 4.714 1.00 0.00 O ATOM 811 OD2 ASP A 58 -6.768 -14.098 5.910 1.00 0.00 O ATOM 0 H ASP A 58 -6.007 -10.610 4.559 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.992 -9.967 7.262 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.832 -12.244 7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.176 -11.494 5.644 1.00 0.00 H new ATOM 816 N LYS A 59 -4.075 -10.993 6.880 1.00 0.00 N ATOM 817 CA LYS A 59 -2.830 -11.445 7.545 1.00 0.00 C ATOM 818 C LYS A 59 -2.191 -10.245 8.254 1.00 0.00 C ATOM 819 O LYS A 59 -1.794 -10.315 9.404 1.00 0.00 O ATOM 820 CB LYS A 59 -1.870 -11.966 6.480 1.00 0.00 C ATOM 821 CG LYS A 59 -2.634 -12.811 5.451 1.00 0.00 C ATOM 822 CD LYS A 59 -3.334 -13.969 6.167 1.00 0.00 C ATOM 823 CE LYS A 59 -3.626 -15.107 5.187 1.00 0.00 C ATOM 824 NZ LYS A 59 -4.173 -16.272 5.940 1.00 0.00 N ATOM 0 H LYS A 59 -3.932 -10.528 5.983 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.047 -12.232 8.267 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.378 -11.130 5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.088 -12.565 6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.366 -12.195 4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.947 -13.196 4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.707 -14.334 6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.264 -13.619 6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.340 -14.779 4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.715 -15.393 4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.374 -17.049 5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.476 -16.588 6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.051 -15.992 6.422 1.00 0.00 H new ATOM 838 N VAL A 60 -2.089 -9.148 7.553 1.00 0.00 N ATOM 839 CA VAL A 60 -1.473 -7.920 8.141 1.00 0.00 C ATOM 840 C VAL A 60 -2.560 -7.232 9.020 1.00 0.00 C ATOM 841 O VAL A 60 -3.739 -7.419 8.793 1.00 0.00 O ATOM 842 CB VAL A 60 -0.944 -7.037 6.957 1.00 0.00 C ATOM 843 CG1 VAL A 60 -1.549 -5.619 6.961 1.00 0.00 C ATOM 844 CG2 VAL A 60 0.619 -6.972 6.944 1.00 0.00 C ATOM 0 H VAL A 60 -2.408 -9.048 6.590 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.618 -8.122 8.787 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.274 -7.525 6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.149 -5.051 6.121 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.633 -5.686 6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.293 -5.117 7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.950 -6.352 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.973 -6.541 7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.024 -7.978 6.832 1.00 0.00 H new ATOM 854 N PRO A 61 -2.162 -6.504 10.039 1.00 0.00 N ATOM 855 CA PRO A 61 -3.105 -5.849 11.007 1.00 0.00 C ATOM 856 C PRO A 61 -4.338 -5.184 10.364 1.00 0.00 C ATOM 857 O PRO A 61 -4.238 -4.177 9.686 1.00 0.00 O ATOM 858 CB PRO A 61 -2.243 -4.807 11.757 1.00 0.00 C ATOM 859 CG PRO A 61 -0.824 -4.965 11.264 1.00 0.00 C ATOM 860 CD PRO A 61 -0.767 -6.224 10.383 1.00 0.00 C ATOM 0 HA PRO A 61 -3.541 -6.606 11.659 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.607 -3.797 11.566 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.296 -4.967 12.834 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.518 -4.087 10.695 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.136 -5.056 12.105 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.166 -6.055 9.490 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.316 -7.060 10.917 1.00 0.00 H new ATOM 868 N ALA A 62 -5.500 -5.754 10.585 1.00 0.00 N ATOM 869 CA ALA A 62 -6.764 -5.213 10.043 1.00 0.00 C ATOM 870 C ALA A 62 -6.777 -3.696 10.090 1.00 0.00 C ATOM 871 O ALA A 62 -6.346 -3.069 11.038 1.00 0.00 O ATOM 872 CB ALA A 62 -7.933 -5.746 10.871 1.00 0.00 C ATOM 0 H ALA A 62 -5.615 -6.602 11.140 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.855 -5.528 9.003 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.869 -5.350 10.476 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.949 -6.835 10.820 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.816 -5.434 11.909 1.00 0.00 H new ATOM 878 N ALA A 63 -7.278 -3.123 9.054 1.00 0.00 N ATOM 879 CA ALA A 63 -7.363 -1.637 8.956 1.00 0.00 C ATOM 880 C ALA A 63 -8.204 -1.071 10.103 1.00 0.00 C ATOM 881 O ALA A 63 -9.269 -1.565 10.419 1.00 0.00 O ATOM 882 CB ALA A 63 -8.009 -1.262 7.617 1.00 0.00 C ATOM 0 H ALA A 63 -7.645 -3.623 8.244 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.359 -1.217 9.020 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.075 -0.177 7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.402 -1.650 6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.009 -1.692 7.563 1.00 0.00 H new ATOM 888 N ASN A 64 -7.698 -0.060 10.754 1.00 0.00 N ATOM 889 CA ASN A 64 -8.429 0.517 11.928 1.00 0.00 C ATOM 890 C ASN A 64 -9.497 1.522 11.480 1.00 0.00 C ATOM 891 O ASN A 64 -9.613 1.871 10.317 1.00 0.00 O ATOM 892 CB ASN A 64 -7.439 1.211 12.862 1.00 0.00 C ATOM 893 CG ASN A 64 -6.977 2.535 12.260 1.00 0.00 C ATOM 894 OD1 ASN A 64 -7.489 3.573 12.608 1.00 0.00 O ATOM 895 ND2 ASN A 64 -6.030 2.543 11.360 1.00 0.00 N ATOM 0 H ASN A 64 -6.813 0.394 10.528 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.925 -0.300 12.452 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.906 1.388 13.831 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.579 0.564 13.036 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.723 3.425 10.951 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.598 1.667 11.066 1.00 0.00 H new ATOM 902 N GLU A 65 -10.289 1.957 12.417 1.00 0.00 N ATOM 903 CA GLU A 65 -11.408 2.914 12.138 1.00 0.00 C ATOM 904 C GLU A 65 -10.919 4.196 11.466 1.00 0.00 C ATOM 905 O GLU A 65 -11.691 4.886 10.832 1.00 0.00 O ATOM 906 CB GLU A 65 -12.086 3.293 13.454 1.00 0.00 C ATOM 907 CG GLU A 65 -11.087 4.046 14.334 1.00 0.00 C ATOM 908 CD GLU A 65 -11.635 4.134 15.758 1.00 0.00 C ATOM 909 OE1 GLU A 65 -12.781 4.525 15.907 1.00 0.00 O ATOM 910 OE2 GLU A 65 -10.901 3.806 16.673 1.00 0.00 O ATOM 0 H GLU A 65 -10.209 1.684 13.396 1.00 0.00 H new ATOM 0 HA GLU A 65 -12.102 2.415 11.462 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.960 3.915 13.261 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.438 2.398 13.967 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.125 3.533 14.333 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.915 5.046 13.936 1.00 0.00 H new ATOM 917 N ARG A 66 -9.670 4.545 11.585 1.00 0.00 N ATOM 918 CA ARG A 66 -9.206 5.794 10.933 1.00 0.00 C ATOM 919 C ARG A 66 -9.251 5.597 9.418 1.00 0.00 C ATOM 920 O ARG A 66 -9.532 6.510 8.665 1.00 0.00 O ATOM 921 CB ARG A 66 -7.771 6.095 11.399 1.00 0.00 C ATOM 922 CG ARG A 66 -7.730 6.232 12.939 1.00 0.00 C ATOM 923 CD ARG A 66 -6.310 5.967 13.477 1.00 0.00 C ATOM 924 NE ARG A 66 -5.497 7.220 13.391 1.00 0.00 N ATOM 925 CZ ARG A 66 -4.195 7.174 13.209 1.00 0.00 C ATOM 926 NH1 ARG A 66 -3.582 6.033 13.026 1.00 0.00 N ATOM 927 NH2 ARG A 66 -3.507 8.283 13.213 1.00 0.00 N ATOM 0 H ARG A 66 -8.959 4.025 12.100 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.846 6.634 11.203 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.101 5.297 11.079 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.415 7.015 10.935 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.052 7.233 13.228 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.431 5.529 13.389 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.360 5.625 14.511 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.835 5.173 12.901 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.960 8.125 13.475 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.114 5.163 13.023 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.572 6.013 12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.979 9.176 13.356 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.497 8.257 13.073 1.00 0.00 H new ATOM 941 N GLU A 67 -8.974 4.405 8.972 1.00 0.00 N ATOM 942 CA GLU A 67 -8.990 4.116 7.506 1.00 0.00 C ATOM 943 C GLU A 67 -10.427 4.075 6.987 1.00 0.00 C ATOM 944 O GLU A 67 -10.725 4.588 5.925 1.00 0.00 O ATOM 945 CB GLU A 67 -8.344 2.755 7.274 1.00 0.00 C ATOM 946 CG GLU A 67 -6.875 2.813 7.688 1.00 0.00 C ATOM 947 CD GLU A 67 -6.230 1.445 7.454 1.00 0.00 C ATOM 948 OE1 GLU A 67 -6.535 0.830 6.445 1.00 0.00 O ATOM 949 OE2 GLU A 67 -5.445 1.034 8.289 1.00 0.00 O ATOM 0 H GLU A 67 -8.735 3.609 9.563 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.445 4.899 6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.865 1.990 7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.426 2.475 6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.353 3.577 7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.792 3.092 8.738 1.00 0.00 H new ATOM 956 N ILE A 68 -11.321 3.463 7.716 1.00 0.00 N ATOM 957 CA ILE A 68 -12.733 3.387 7.243 1.00 0.00 C ATOM 958 C ILE A 68 -13.213 4.798 6.889 1.00 0.00 C ATOM 959 O ILE A 68 -13.970 4.989 5.957 1.00 0.00 O ATOM 960 CB ILE A 68 -13.617 2.770 8.352 1.00 0.00 C ATOM 961 CG1 ILE A 68 -13.491 1.236 8.333 1.00 0.00 C ATOM 962 CG2 ILE A 68 -15.092 3.139 8.128 1.00 0.00 C ATOM 963 CD1 ILE A 68 -12.022 0.813 8.280 1.00 0.00 C ATOM 0 H ILE A 68 -11.136 3.015 8.613 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.801 2.755 6.357 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.281 3.162 9.312 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.963 0.817 9.221 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -14.022 0.834 7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.701 2.697 8.917 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -15.203 4.223 8.148 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.419 2.758 7.160 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.957 -0.275 8.267 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.560 1.215 7.378 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -11.501 1.197 9.157 1.00 0.00 H new ATOM 975 N GLY A 69 -12.792 5.787 7.629 1.00 0.00 N ATOM 976 CA GLY A 69 -13.244 7.176 7.330 1.00 0.00 C ATOM 977 C GLY A 69 -12.413 7.771 6.195 1.00 0.00 C ATOM 978 O GLY A 69 -12.919 8.521 5.382 1.00 0.00 O ATOM 0 H GLY A 69 -12.158 5.695 8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.298 7.171 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.151 7.796 8.222 1.00 0.00 H new ATOM 982 N MET A 70 -11.152 7.437 6.097 1.00 0.00 N ATOM 983 CA MET A 70 -10.328 7.985 4.986 1.00 0.00 C ATOM 984 C MET A 70 -10.626 7.170 3.729 1.00 0.00 C ATOM 985 O MET A 70 -10.632 7.681 2.631 1.00 0.00 O ATOM 986 CB MET A 70 -8.839 7.860 5.337 1.00 0.00 C ATOM 987 CG MET A 70 -8.429 9.006 6.265 1.00 0.00 C ATOM 988 SD MET A 70 -6.709 8.774 6.790 1.00 0.00 S ATOM 989 CE MET A 70 -7.018 7.682 8.208 1.00 0.00 C ATOM 0 H MET A 70 -10.662 6.811 6.736 1.00 0.00 H new ATOM 0 HA MET A 70 -10.564 9.036 4.823 1.00 0.00 H new ATOM 0 HB2 MET A 70 -8.649 6.902 5.821 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.238 7.883 4.428 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.538 9.961 5.751 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.085 9.036 7.135 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.119 7.619 8.821 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.837 8.084 8.805 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.284 6.687 7.850 1.00 0.00 H new ATOM 999 N LEU A 71 -10.885 5.904 3.897 1.00 0.00 N ATOM 1000 CA LEU A 71 -11.197 5.048 2.725 1.00 0.00 C ATOM 1001 C LEU A 71 -12.452 5.602 2.050 1.00 0.00 C ATOM 1002 O LEU A 71 -12.637 5.460 0.861 1.00 0.00 O ATOM 1003 CB LEU A 71 -11.437 3.604 3.199 1.00 0.00 C ATOM 1004 CG LEU A 71 -10.099 2.849 3.344 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -10.323 1.591 4.187 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -9.551 2.435 1.960 1.00 0.00 C ATOM 0 H LEU A 71 -10.894 5.426 4.798 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.369 5.047 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.961 3.612 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.079 3.084 2.488 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.376 3.508 3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.382 1.052 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.693 1.874 5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.055 0.949 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.607 1.904 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.270 1.783 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.388 3.325 1.352 1.00 0.00 H new ATOM 1018 N GLU A 72 -13.313 6.242 2.795 1.00 0.00 N ATOM 1019 CA GLU A 72 -14.542 6.813 2.184 1.00 0.00 C ATOM 1020 C GLU A 72 -14.180 8.147 1.519 1.00 0.00 C ATOM 1021 O GLU A 72 -14.994 8.775 0.871 1.00 0.00 O ATOM 1022 CB GLU A 72 -15.589 7.046 3.282 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.741 7.906 2.744 1.00 0.00 C ATOM 1024 CD GLU A 72 -17.976 7.743 3.630 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -17.941 8.218 4.756 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -18.937 7.145 3.169 1.00 0.00 O ATOM 0 H GLU A 72 -13.216 6.393 3.799 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.951 6.129 1.440 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.974 6.090 3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -15.126 7.539 4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.440 8.953 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.977 7.613 1.721 1.00 0.00 H new ATOM 1033 N CYS A 73 -12.963 8.590 1.710 1.00 0.00 N ATOM 1034 CA CYS A 73 -12.519 9.903 1.134 1.00 0.00 C ATOM 1035 C CYS A 73 -11.550 9.698 -0.044 1.00 0.00 C ATOM 1036 O CYS A 73 -10.958 10.647 -0.513 1.00 0.00 O ATOM 1037 CB CYS A 73 -11.824 10.714 2.260 1.00 0.00 C ATOM 1038 SG CYS A 73 -12.710 12.272 2.543 1.00 0.00 S ATOM 0 H CYS A 73 -12.249 8.096 2.245 1.00 0.00 H new ATOM 0 HA CYS A 73 -13.386 10.442 0.752 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.800 10.128 3.179 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.789 10.920 1.985 1.00 0.00 H new ATOM 0 HG CYS A 73 -12.120 12.941 3.489 1.00 0.00 H new ATOM 1044 N VAL A 74 -11.360 8.496 -0.528 1.00 0.00 N ATOM 1045 CA VAL A 74 -10.408 8.311 -1.667 1.00 0.00 C ATOM 1046 C VAL A 74 -11.013 8.864 -2.953 1.00 0.00 C ATOM 1047 O VAL A 74 -12.200 9.115 -3.044 1.00 0.00 O ATOM 1048 CB VAL A 74 -10.116 6.821 -1.861 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -9.446 6.260 -0.603 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -11.427 6.044 -2.159 1.00 0.00 C ATOM 0 H VAL A 74 -11.814 7.647 -0.191 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.485 8.845 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.444 6.701 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.239 5.199 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.512 6.791 -0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.110 6.390 0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.200 4.986 -2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.118 6.163 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.884 6.436 -3.068 1.00 0.00 H new ATOM 1060 N THR A 75 -10.204 9.068 -3.958 1.00 0.00 N ATOM 1061 CA THR A 75 -10.722 9.622 -5.243 1.00 0.00 C ATOM 1062 C THR A 75 -11.116 8.504 -6.224 1.00 0.00 C ATOM 1063 O THR A 75 -11.952 8.713 -7.080 1.00 0.00 O ATOM 1064 CB THR A 75 -9.635 10.500 -5.869 1.00 0.00 C ATOM 1065 OG1 THR A 75 -8.954 11.196 -4.839 1.00 0.00 O ATOM 1066 CG2 THR A 75 -10.266 11.506 -6.842 1.00 0.00 C ATOM 0 H THR A 75 -9.203 8.874 -3.944 1.00 0.00 H new ATOM 0 HA THR A 75 -11.617 10.208 -5.036 1.00 0.00 H new ATOM 0 HB THR A 75 -8.933 9.872 -6.419 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.620 12.049 -5.186 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.485 12.126 -7.282 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.791 10.968 -7.632 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.971 12.139 -6.304 1.00 0.00 H new ATOM 1074 N ALA A 76 -10.532 7.324 -6.130 1.00 0.00 N ATOM 1075 CA ALA A 76 -10.903 6.231 -7.096 1.00 0.00 C ATOM 1076 C ALA A 76 -11.975 5.317 -6.466 1.00 0.00 C ATOM 1077 O ALA A 76 -12.500 5.597 -5.406 1.00 0.00 O ATOM 1078 CB ALA A 76 -9.641 5.419 -7.449 1.00 0.00 C ATOM 0 H ALA A 76 -9.826 7.074 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.314 6.667 -8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.903 4.625 -8.149 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.901 6.076 -7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.225 4.980 -6.542 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.337 4.255 -7.142 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.412 3.333 -6.646 1.00 0.00 C ATOM 1086 C GLU A 77 -12.908 2.444 -5.504 1.00 0.00 C ATOM 1087 O GLU A 77 -11.882 1.816 -5.599 1.00 0.00 O ATOM 1088 CB GLU A 77 -13.849 2.495 -7.884 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.862 0.978 -7.633 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.901 0.642 -6.569 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -15.348 1.555 -5.899 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -15.238 -0.524 -6.452 1.00 0.00 O ATOM 0 H GLU A 77 -11.926 3.981 -8.034 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.253 3.887 -6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.846 2.811 -8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.176 2.711 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.090 0.449 -8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.876 0.645 -7.310 1.00 0.00 H new ATOM 1099 N LEU A 78 -13.624 2.386 -4.413 1.00 0.00 N ATOM 1100 CA LEU A 78 -13.170 1.535 -3.274 1.00 0.00 C ATOM 1101 C LEU A 78 -13.511 0.075 -3.511 1.00 0.00 C ATOM 1102 O LEU A 78 -14.438 -0.282 -4.205 1.00 0.00 O ATOM 1103 CB LEU A 78 -13.821 2.015 -1.966 1.00 0.00 C ATOM 1104 CG LEU A 78 -12.840 1.791 -0.793 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -11.679 2.809 -0.887 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -13.584 1.930 0.544 1.00 0.00 C ATOM 0 H LEU A 78 -14.499 2.888 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.087 1.626 -3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.080 3.071 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.749 1.471 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.425 0.785 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.988 2.650 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.152 2.673 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.078 3.822 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.887 1.771 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.013 2.929 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.381 1.188 0.596 1.00 0.00 H new ATOM 1118 N LYS A 79 -12.737 -0.764 -2.897 1.00 0.00 N ATOM 1119 CA LYS A 79 -12.918 -2.224 -3.013 1.00 0.00 C ATOM 1120 C LYS A 79 -13.240 -2.757 -1.617 1.00 0.00 C ATOM 1121 O LYS A 79 -12.885 -2.144 -0.629 1.00 0.00 O ATOM 1122 CB LYS A 79 -11.581 -2.795 -3.483 1.00 0.00 C ATOM 1123 CG LYS A 79 -11.410 -2.644 -4.998 1.00 0.00 C ATOM 1124 CD LYS A 79 -12.157 -3.763 -5.734 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.841 -3.680 -7.232 1.00 0.00 C ATOM 1126 NZ LYS A 79 -12.195 -2.323 -7.736 1.00 0.00 N ATOM 0 H LYS A 79 -11.959 -0.485 -2.299 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.715 -2.494 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.765 -2.285 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.518 -3.849 -3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.789 -1.673 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.351 -2.674 -5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.859 -4.735 -5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.231 -3.668 -5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.783 -3.880 -7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.401 -4.440 -7.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.309 -2.355 -8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.086 -2.012 -7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.437 -1.654 -7.492 1.00 0.00 H new ATOM 1140 N PRO A 80 -13.880 -3.883 -1.520 1.00 0.00 N ATOM 1141 CA PRO A 80 -14.203 -4.467 -0.190 1.00 0.00 C ATOM 1142 C PRO A 80 -12.919 -4.629 0.621 1.00 0.00 C ATOM 1143 O PRO A 80 -12.914 -4.500 1.836 1.00 0.00 O ATOM 1144 CB PRO A 80 -14.852 -5.830 -0.522 1.00 0.00 C ATOM 1145 CG PRO A 80 -14.534 -6.090 -1.965 1.00 0.00 C ATOM 1146 CD PRO A 80 -14.360 -4.723 -2.622 1.00 0.00 C ATOM 0 HA PRO A 80 -14.867 -3.847 0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.453 -6.619 0.115 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.929 -5.801 -0.357 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.626 -6.685 -2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.336 -6.652 -2.444 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.644 -4.759 -3.443 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.298 -4.351 -3.033 1.00 0.00 H new ATOM 1154 N ASN A 81 -11.830 -4.910 -0.044 1.00 0.00 N ATOM 1155 CA ASN A 81 -10.519 -5.092 0.647 1.00 0.00 C ATOM 1156 C ASN A 81 -9.571 -3.927 0.320 1.00 0.00 C ATOM 1157 O ASN A 81 -8.373 -4.110 0.236 1.00 0.00 O ATOM 1158 CB ASN A 81 -9.892 -6.409 0.173 1.00 0.00 C ATOM 1159 CG ASN A 81 -9.538 -6.310 -1.301 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -10.411 -6.288 -2.146 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -8.283 -6.253 -1.662 1.00 0.00 N ATOM 0 H ASN A 81 -11.793 -5.023 -1.057 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.680 -5.115 1.725 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.998 -6.628 0.757 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.588 -7.232 0.335 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.039 -6.190 -2.650 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.548 -6.271 -0.955 1.00 0.00 H new ATOM 1168 N SER A 82 -10.076 -2.724 0.147 1.00 0.00 N ATOM 1169 CA SER A 82 -9.182 -1.570 -0.145 1.00 0.00 C ATOM 1170 C SER A 82 -8.219 -1.352 1.002 1.00 0.00 C ATOM 1171 O SER A 82 -8.552 -1.562 2.154 1.00 0.00 O ATOM 1172 CB SER A 82 -10.021 -0.313 -0.331 1.00 0.00 C ATOM 1173 OG SER A 82 -10.601 -0.341 -1.619 1.00 0.00 O ATOM 0 H SER A 82 -11.070 -2.499 0.197 1.00 0.00 H new ATOM 0 HA SER A 82 -8.619 -1.782 -1.054 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.798 -0.261 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.401 0.576 -0.215 1.00 0.00 H new ATOM 0 HG SER A 82 -9.899 -0.463 -2.291 1.00 0.00 H new ATOM 1179 N ARG A 83 -7.012 -0.978 0.694 1.00 0.00 N ATOM 1180 CA ARG A 83 -5.990 -0.798 1.772 1.00 0.00 C ATOM 1181 C ARG A 83 -5.123 0.439 1.511 1.00 0.00 C ATOM 1182 O ARG A 83 -4.985 0.905 0.394 1.00 0.00 O ATOM 1183 CB ARG A 83 -5.107 -2.060 1.781 1.00 0.00 C ATOM 1184 CG ARG A 83 -5.632 -3.083 2.803 1.00 0.00 C ATOM 1185 CD ARG A 83 -5.202 -2.705 4.231 1.00 0.00 C ATOM 1186 NE ARG A 83 -6.205 -3.269 5.185 1.00 0.00 N ATOM 1187 CZ ARG A 83 -5.899 -4.233 6.032 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -4.663 -4.628 6.200 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -6.842 -4.779 6.737 1.00 0.00 N ATOM 0 H ARG A 83 -6.684 -0.788 -0.253 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.485 -0.654 2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.092 -2.507 0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.080 -1.789 2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.719 -3.132 2.748 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.255 -4.075 2.556 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.209 -3.100 4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.144 -1.622 4.336 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.155 -2.897 5.181 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.911 -4.188 5.670 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.452 -5.376 6.861 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.806 -4.462 6.632 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.619 -5.525 7.396 1.00 0.00 H new ATOM 1203 N LEU A 84 -4.519 0.953 2.555 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.628 2.138 2.418 1.00 0.00 C ATOM 1205 C LEU A 84 -2.186 1.620 2.384 1.00 0.00 C ATOM 1206 O LEU A 84 -1.945 0.455 2.613 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.825 3.074 3.618 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.257 3.648 3.640 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.554 4.422 2.337 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -6.285 2.514 3.815 1.00 0.00 C ATOM 0 H LEU A 84 -4.609 0.595 3.506 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.856 2.696 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.632 2.531 4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.103 3.889 3.571 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.335 4.335 4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.569 4.819 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.846 5.244 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.457 3.750 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.291 2.934 3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.196 1.811 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.096 1.993 4.754 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.235 2.451 2.047 1.00 0.00 N ATOM 1223 CA CYS A 85 0.193 1.984 1.937 1.00 0.00 C ATOM 1224 C CYS A 85 1.078 2.512 3.086 1.00 0.00 C ATOM 1225 O CYS A 85 2.224 2.122 3.193 1.00 0.00 O ATOM 1226 CB CYS A 85 0.758 2.481 0.599 1.00 0.00 C ATOM 1227 SG CYS A 85 1.960 1.288 -0.037 1.00 0.00 S ATOM 0 H CYS A 85 -1.380 3.439 1.841 1.00 0.00 H new ATOM 0 HA CYS A 85 0.200 0.896 1.997 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.050 2.616 -0.120 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.232 3.453 0.732 1.00 0.00 H new ATOM 0 HG CYS A 85 2.126 1.477 -1.312 1.00 0.00 H new ATOM 1233 N CYS A 86 0.595 3.421 3.906 1.00 0.00 N ATOM 1234 CA CYS A 86 1.472 3.989 4.994 1.00 0.00 C ATOM 1235 C CYS A 86 1.197 3.370 6.372 1.00 0.00 C ATOM 1236 O CYS A 86 2.020 3.480 7.260 1.00 0.00 O ATOM 1237 CB CYS A 86 1.276 5.507 5.070 1.00 0.00 C ATOM 1238 SG CYS A 86 -0.447 5.897 5.468 1.00 0.00 S ATOM 0 H CYS A 86 -0.355 3.792 3.873 1.00 0.00 H new ATOM 0 HA CYS A 86 2.502 3.745 4.732 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.936 5.929 5.828 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.550 5.964 4.119 1.00 0.00 H new ATOM 1243 N GLN A 87 0.076 2.722 6.569 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.205 2.106 7.921 1.00 0.00 C ATOM 1245 C GLN A 87 -0.091 0.577 7.854 1.00 0.00 C ATOM 1246 O GLN A 87 -0.606 -0.129 8.697 1.00 0.00 O ATOM 1247 CB GLN A 87 -1.610 2.506 8.403 1.00 0.00 C ATOM 1248 CG GLN A 87 -2.675 2.195 7.325 1.00 0.00 C ATOM 1249 CD GLN A 87 -3.808 3.224 7.410 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -4.130 3.870 6.435 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -4.424 3.407 8.546 1.00 0.00 N ATOM 0 H GLN A 87 -0.653 2.589 5.868 1.00 0.00 H new ATOM 0 HA GLN A 87 0.535 2.479 8.629 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.850 1.970 9.321 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.628 3.570 8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.222 2.219 6.334 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.071 1.190 7.470 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.154 2.864 9.366 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.176 4.093 8.614 1.00 0.00 H new ATOM 1260 N ILE A 88 0.587 0.070 6.854 1.00 0.00 N ATOM 1261 CA ILE A 88 0.752 -1.419 6.714 1.00 0.00 C ATOM 1262 C ILE A 88 2.195 -1.827 7.013 1.00 0.00 C ATOM 1263 O ILE A 88 3.126 -1.320 6.441 1.00 0.00 O ATOM 1264 CB ILE A 88 0.348 -1.851 5.304 1.00 0.00 C ATOM 1265 CG1 ILE A 88 -1.172 -1.719 5.190 1.00 0.00 C ATOM 1266 CG2 ILE A 88 0.780 -3.309 5.056 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -1.627 -2.013 3.767 1.00 0.00 C ATOM 0 H ILE A 88 1.037 0.622 6.123 1.00 0.00 H new ATOM 0 HA ILE A 88 0.104 -1.919 7.434 1.00 0.00 H new ATOM 0 HB ILE A 88 0.836 -1.224 4.558 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.656 -2.408 5.883 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.478 -0.713 5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.488 -3.609 4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.862 -3.391 5.160 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.296 -3.961 5.783 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.711 -1.915 3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.158 -1.307 3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.338 -3.028 3.495 1.00 0.00 H new ATOM 1279 N ILE A 89 2.363 -2.744 7.933 1.00 0.00 N ATOM 1280 CA ILE A 89 3.726 -3.209 8.341 1.00 0.00 C ATOM 1281 C ILE A 89 4.103 -4.503 7.628 1.00 0.00 C ATOM 1282 O ILE A 89 3.474 -5.529 7.799 1.00 0.00 O ATOM 1283 CB ILE A 89 3.720 -3.497 9.854 1.00 0.00 C ATOM 1284 CG1 ILE A 89 3.521 -2.196 10.659 1.00 0.00 C ATOM 1285 CG2 ILE A 89 5.036 -4.181 10.268 1.00 0.00 C ATOM 1286 CD1 ILE A 89 4.587 -1.151 10.304 1.00 0.00 C ATOM 0 H ILE A 89 1.597 -3.200 8.429 1.00 0.00 H new ATOM 0 HA ILE A 89 4.443 -2.430 8.081 1.00 0.00 H new ATOM 0 HB ILE A 89 2.888 -4.166 10.073 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.530 -1.790 10.458 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.565 -2.416 11.726 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.021 -4.380 11.340 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.144 -5.120 9.726 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.876 -3.527 10.032 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.419 -0.246 10.888 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.576 -1.549 10.529 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.525 -0.914 9.242 1.00 0.00 H new ATOM 1298 N MET A 90 5.130 -4.466 6.832 1.00 0.00 N ATOM 1299 CA MET A 90 5.547 -5.691 6.115 1.00 0.00 C ATOM 1300 C MET A 90 6.268 -6.628 7.077 1.00 0.00 C ATOM 1301 O MET A 90 6.808 -6.213 8.087 1.00 0.00 O ATOM 1302 CB MET A 90 6.484 -5.314 4.963 1.00 0.00 C ATOM 1303 CG MET A 90 6.375 -6.369 3.866 1.00 0.00 C ATOM 1304 SD MET A 90 4.751 -6.209 3.080 1.00 0.00 S ATOM 1305 CE MET A 90 4.090 -7.857 3.455 1.00 0.00 C ATOM 0 H MET A 90 5.697 -3.638 6.649 1.00 0.00 H new ATOM 0 HA MET A 90 4.667 -6.195 5.716 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.220 -4.333 4.569 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.512 -5.248 5.320 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.168 -6.234 3.130 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.496 -7.367 4.286 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.015 -7.868 3.272 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.574 -8.597 2.818 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.283 -8.097 4.501 1.00 0.00 H new ATOM 1315 N THR A 91 6.293 -7.889 6.768 1.00 0.00 N ATOM 1316 CA THR A 91 6.994 -8.875 7.635 1.00 0.00 C ATOM 1317 C THR A 91 7.486 -10.020 6.752 1.00 0.00 C ATOM 1318 O THR A 91 6.856 -10.344 5.762 1.00 0.00 O ATOM 1319 CB THR A 91 6.033 -9.421 8.691 1.00 0.00 C ATOM 1320 OG1 THR A 91 4.859 -9.910 8.053 1.00 0.00 O ATOM 1321 CG2 THR A 91 5.664 -8.315 9.675 1.00 0.00 C ATOM 0 H THR A 91 5.851 -8.287 5.939 1.00 0.00 H new ATOM 0 HA THR A 91 7.832 -8.396 8.141 1.00 0.00 H new ATOM 0 HB THR A 91 6.515 -10.233 9.235 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.242 -10.262 8.728 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.979 -8.709 10.425 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.566 -7.948 10.164 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.183 -7.497 9.139 1.00 0.00 H new ATOM 1329 N PRO A 92 8.599 -10.630 7.074 1.00 0.00 N ATOM 1330 CA PRO A 92 9.147 -11.740 6.249 1.00 0.00 C ATOM 1331 C PRO A 92 8.123 -12.867 6.072 1.00 0.00 C ATOM 1332 O PRO A 92 7.974 -13.410 4.996 1.00 0.00 O ATOM 1333 CB PRO A 92 10.395 -12.217 7.032 1.00 0.00 C ATOM 1334 CG PRO A 92 10.274 -11.624 8.397 1.00 0.00 C ATOM 1335 CD PRO A 92 9.451 -10.350 8.241 1.00 0.00 C ATOM 0 HA PRO A 92 9.394 -11.422 5.236 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.433 -13.305 7.081 1.00 0.00 H new ATOM 0 HB3 PRO A 92 11.312 -11.888 6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.787 -12.319 9.081 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.257 -11.403 8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.857 -10.145 9.131 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.086 -9.480 8.074 1.00 0.00 H new ATOM 1343 N GLU A 93 7.421 -13.230 7.106 1.00 0.00 N ATOM 1344 CA GLU A 93 6.426 -14.327 6.959 1.00 0.00 C ATOM 1345 C GLU A 93 5.424 -13.959 5.859 1.00 0.00 C ATOM 1346 O GLU A 93 4.978 -14.811 5.116 1.00 0.00 O ATOM 1347 CB GLU A 93 5.685 -14.561 8.283 1.00 0.00 C ATOM 1348 CG GLU A 93 5.382 -13.220 8.966 1.00 0.00 C ATOM 1349 CD GLU A 93 6.582 -12.784 9.816 1.00 0.00 C ATOM 1350 OE1 GLU A 93 7.677 -13.235 9.528 1.00 0.00 O ATOM 1351 OE2 GLU A 93 6.383 -12.013 10.733 1.00 0.00 O ATOM 0 H GLU A 93 7.491 -12.820 8.038 1.00 0.00 H new ATOM 0 HA GLU A 93 6.947 -15.245 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.756 -15.101 8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.290 -15.184 8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.162 -12.461 8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.496 -13.314 9.593 1.00 0.00 H new ATOM 1358 N LEU A 94 5.046 -12.706 5.760 1.00 0.00 N ATOM 1359 CA LEU A 94 4.049 -12.315 4.705 1.00 0.00 C ATOM 1360 C LEU A 94 4.772 -11.946 3.405 1.00 0.00 C ATOM 1361 O LEU A 94 4.257 -11.229 2.579 1.00 0.00 O ATOM 1362 CB LEU A 94 3.179 -11.129 5.212 1.00 0.00 C ATOM 1363 CG LEU A 94 1.876 -11.660 5.849 1.00 0.00 C ATOM 1364 CD1 LEU A 94 1.158 -10.524 6.599 1.00 0.00 C ATOM 1365 CD2 LEU A 94 0.924 -12.236 4.776 1.00 0.00 C ATOM 0 H LEU A 94 5.377 -11.945 6.353 1.00 0.00 H new ATOM 0 HA LEU A 94 3.393 -13.161 4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.738 -10.544 5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.942 -10.462 4.383 1.00 0.00 H new ATOM 0 HG LEU A 94 2.144 -12.456 6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.240 -10.906 7.046 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.809 -10.137 7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.916 -9.723 5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.016 -12.602 5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.668 -11.455 4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.417 -13.058 4.256 1.00 0.00 H new ATOM 1377 N ASP A 95 5.969 -12.420 3.236 1.00 0.00 N ATOM 1378 CA ASP A 95 6.723 -12.105 1.985 1.00 0.00 C ATOM 1379 C ASP A 95 5.917 -12.569 0.759 1.00 0.00 C ATOM 1380 O ASP A 95 5.313 -13.622 0.757 1.00 0.00 O ATOM 1381 CB ASP A 95 8.068 -12.838 2.033 1.00 0.00 C ATOM 1382 CG ASP A 95 7.833 -14.332 2.267 1.00 0.00 C ATOM 1383 OD1 ASP A 95 6.788 -14.674 2.800 1.00 0.00 O ATOM 1384 OD2 ASP A 95 8.701 -15.111 1.906 1.00 0.00 O ATOM 0 H ASP A 95 6.462 -13.011 3.905 1.00 0.00 H new ATOM 0 HA ASP A 95 6.887 -11.030 1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.609 -12.687 1.099 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.688 -12.428 2.830 1.00 0.00 H new ATOM 1389 N GLY A 96 5.929 -11.791 -0.293 1.00 0.00 N ATOM 1390 CA GLY A 96 5.197 -12.163 -1.560 1.00 0.00 C ATOM 1391 C GLY A 96 3.946 -11.288 -1.739 1.00 0.00 C ATOM 1392 O GLY A 96 3.194 -11.454 -2.679 1.00 0.00 O ATOM 0 H GLY A 96 6.420 -10.898 -0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.858 -12.041 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.910 -13.214 -1.526 1.00 0.00 H new ATOM 1396 N ILE A 97 3.679 -10.418 -0.805 1.00 0.00 N ATOM 1397 CA ILE A 97 2.419 -9.594 -0.885 1.00 0.00 C ATOM 1398 C ILE A 97 2.269 -8.880 -2.233 1.00 0.00 C ATOM 1399 O ILE A 97 3.201 -8.312 -2.762 1.00 0.00 O ATOM 1400 CB ILE A 97 2.386 -8.561 0.233 1.00 0.00 C ATOM 1401 CG1 ILE A 97 1.096 -7.740 0.146 1.00 0.00 C ATOM 1402 CG2 ILE A 97 3.581 -7.623 0.129 1.00 0.00 C ATOM 1403 CD1 ILE A 97 0.963 -6.868 1.394 1.00 0.00 C ATOM 0 H ILE A 97 4.268 -10.236 0.008 1.00 0.00 H new ATOM 0 HA ILE A 97 1.586 -10.289 -0.778 1.00 0.00 H new ATOM 0 HB ILE A 97 2.426 -9.087 1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.109 -7.116 -0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.235 -8.403 0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.541 -6.892 0.936 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.503 -8.199 0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.556 -7.106 -0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.045 -6.283 1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.931 -7.503 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.818 -6.195 1.461 1.00 0.00 H new ATOM 1415 N VAL A 98 1.081 -8.923 -2.804 1.00 0.00 N ATOM 1416 CA VAL A 98 0.837 -8.252 -4.118 1.00 0.00 C ATOM 1417 C VAL A 98 -0.002 -6.988 -3.907 1.00 0.00 C ATOM 1418 O VAL A 98 -1.140 -7.050 -3.487 1.00 0.00 O ATOM 1419 CB VAL A 98 0.080 -9.211 -5.033 1.00 0.00 C ATOM 1420 CG1 VAL A 98 0.126 -8.693 -6.474 1.00 0.00 C ATOM 1421 CG2 VAL A 98 0.726 -10.597 -4.971 1.00 0.00 C ATOM 0 H VAL A 98 0.269 -9.398 -2.409 1.00 0.00 H new ATOM 0 HA VAL A 98 1.791 -7.979 -4.570 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.957 -9.277 -4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.415 -9.380 -7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.337 -7.707 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.163 -8.623 -6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.184 -11.280 -5.625 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.764 -10.530 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.690 -10.970 -3.947 1.00 0.00 H new ATOM 1431 N VAL A 99 0.555 -5.839 -4.191 1.00 0.00 N ATOM 1432 CA VAL A 99 -0.186 -4.554 -4.006 1.00 0.00 C ATOM 1433 C VAL A 99 -0.619 -4.020 -5.371 1.00 0.00 C ATOM 1434 O VAL A 99 0.170 -3.908 -6.285 1.00 0.00 O ATOM 1435 CB VAL A 99 0.741 -3.523 -3.355 1.00 0.00 C ATOM 1436 CG1 VAL A 99 -0.097 -2.430 -2.677 1.00 0.00 C ATOM 1437 CG2 VAL A 99 1.634 -4.205 -2.316 1.00 0.00 C ATOM 0 H VAL A 99 1.505 -5.735 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.058 -4.728 -3.375 1.00 0.00 H new ATOM 0 HB VAL A 99 1.369 -3.073 -4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.565 -1.698 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.721 -1.936 -3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.731 -2.879 -1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.290 -3.465 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.012 -4.664 -1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.236 -4.973 -2.802 1.00 0.00 H new ATOM 1447 N ASP A 100 -1.869 -3.707 -5.501 1.00 0.00 N ATOM 1448 CA ASP A 100 -2.400 -3.191 -6.803 1.00 0.00 C ATOM 1449 C ASP A 100 -2.597 -1.674 -6.705 1.00 0.00 C ATOM 1450 O ASP A 100 -3.307 -1.175 -5.859 1.00 0.00 O ATOM 1451 CB ASP A 100 -3.727 -3.914 -7.102 1.00 0.00 C ATOM 1452 CG ASP A 100 -3.493 -5.071 -8.088 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -2.795 -6.001 -7.720 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -4.014 -5.003 -9.187 1.00 0.00 O ATOM 0 H ASP A 100 -2.562 -3.784 -4.757 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.701 -3.384 -7.616 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.157 -4.297 -6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.446 -3.210 -7.520 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.949 -0.943 -7.582 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.051 0.547 -7.574 1.00 0.00 C ATOM 1461 C VAL A 101 -2.917 1.014 -8.765 1.00 0.00 C ATOM 1462 O VAL A 101 -2.699 0.588 -9.887 1.00 0.00 O ATOM 1463 CB VAL A 101 -0.639 1.128 -7.721 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -0.628 2.608 -7.324 1.00 0.00 C ATOM 1465 CG2 VAL A 101 0.338 0.329 -6.841 1.00 0.00 C ATOM 0 H VAL A 101 -1.346 -1.324 -8.312 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.508 0.885 -6.644 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.326 1.052 -8.762 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.381 3.007 -7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.309 3.163 -7.969 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.947 2.709 -6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.342 0.741 -6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.025 0.394 -5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.340 -0.715 -7.155 1.00 0.00 H new ATOM 1475 N PRO A 102 -3.884 1.879 -8.550 1.00 0.00 N ATOM 1476 CA PRO A 102 -4.770 2.392 -9.641 1.00 0.00 C ATOM 1477 C PRO A 102 -4.150 3.548 -10.441 1.00 0.00 C ATOM 1478 O PRO A 102 -3.033 3.966 -10.216 1.00 0.00 O ATOM 1479 CB PRO A 102 -5.987 2.911 -8.873 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.424 3.398 -7.586 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.262 2.463 -7.245 1.00 0.00 C ATOM 0 HA PRO A 102 -4.978 1.616 -10.378 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.489 3.711 -9.416 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.723 2.123 -8.713 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.080 4.428 -7.677 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.179 3.382 -6.800 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.431 3.006 -6.794 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.563 1.693 -6.535 1.00 0.00 H new ATOM 1489 N ASP A 103 -4.918 4.083 -11.360 1.00 0.00 N ATOM 1490 CA ASP A 103 -4.456 5.245 -12.172 1.00 0.00 C ATOM 1491 C ASP A 103 -4.857 6.511 -11.419 1.00 0.00 C ATOM 1492 O ASP A 103 -4.381 7.595 -11.688 1.00 0.00 O ATOM 1493 CB ASP A 103 -5.133 5.222 -13.537 1.00 0.00 C ATOM 1494 CG ASP A 103 -6.650 5.287 -13.358 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -7.101 5.125 -12.239 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -7.336 5.497 -14.346 1.00 0.00 O ATOM 0 H ASP A 103 -5.858 3.756 -11.582 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.377 5.208 -12.323 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -4.791 6.065 -14.138 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -4.859 4.315 -14.075 1.00 0.00 H new ATOM 1501 N ARG A 104 -5.739 6.352 -10.466 1.00 0.00 N ATOM 1502 CA ARG A 104 -6.221 7.489 -9.641 1.00 0.00 C ATOM 1503 C ARG A 104 -5.857 7.173 -8.202 1.00 0.00 C ATOM 1504 O ARG A 104 -6.450 6.296 -7.614 1.00 0.00 O ATOM 1505 CB ARG A 104 -7.754 7.560 -9.747 1.00 0.00 C ATOM 1506 CG ARG A 104 -8.199 8.146 -11.106 1.00 0.00 C ATOM 1507 CD ARG A 104 -8.361 9.671 -11.029 1.00 0.00 C ATOM 1508 NE ARG A 104 -7.027 10.305 -11.264 1.00 0.00 N ATOM 1509 CZ ARG A 104 -6.923 11.451 -11.886 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -7.988 12.047 -12.353 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -5.747 11.992 -12.059 1.00 0.00 N ATOM 0 H ARG A 104 -6.154 5.453 -10.222 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.782 8.431 -9.970 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.175 6.562 -9.624 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.148 8.175 -8.938 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.465 7.894 -11.871 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.143 7.693 -11.409 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.079 10.013 -11.774 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.751 9.961 -10.053 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.184 9.836 -10.934 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.906 11.619 -12.233 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.901 12.941 -12.837 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -4.913 11.521 -11.709 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -5.663 12.886 -12.544 1.00 0.00 H new ATOM 1525 N GLN A 105 -4.912 7.860 -7.611 1.00 0.00 N ATOM 1526 CA GLN A 105 -4.548 7.567 -6.191 1.00 0.00 C ATOM 1527 C GLN A 105 -4.517 8.898 -5.425 1.00 0.00 C ATOM 1528 O GLN A 105 -4.829 8.968 -4.254 1.00 0.00 O ATOM 1529 CB GLN A 105 -3.161 6.917 -6.144 1.00 0.00 C ATOM 1530 CG GLN A 105 -2.205 7.668 -7.072 1.00 0.00 C ATOM 1531 CD GLN A 105 -0.792 7.107 -6.908 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -0.567 5.928 -7.089 1.00 0.00 O ATOM 1533 NE2 GLN A 105 0.178 7.909 -6.557 1.00 0.00 N ATOM 0 H GLN A 105 -4.378 8.610 -8.050 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.273 6.888 -5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.777 6.930 -5.124 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.229 5.872 -6.445 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.531 7.566 -8.107 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.215 8.733 -6.838 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.010 8.900 -6.405 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.123 7.544 -6.435 1.00 0.00 H new ATOM 1542 N TRP A 106 -4.128 9.956 -6.107 1.00 0.00 N ATOM 1543 CA TRP A 106 -4.052 11.308 -5.462 1.00 0.00 C ATOM 1544 C TRP A 106 -2.825 11.340 -4.538 1.00 0.00 C ATOM 1545 O TRP A 106 -1.815 10.771 -4.918 1.00 0.00 O ATOM 1546 CB TRP A 106 -5.365 11.584 -4.674 1.00 0.00 C ATOM 1547 CG TRP A 106 -5.953 12.922 -5.029 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -7.026 13.094 -5.835 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -5.539 14.258 -4.620 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -7.318 14.442 -5.920 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -6.425 15.204 -5.190 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -4.498 14.737 -3.808 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -6.284 16.573 -4.957 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -4.352 16.114 -3.569 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -5.241 17.030 -4.151 1.00 0.00 C ATOM 1556 OXT TRP A 106 -2.908 11.933 -3.479 1.00 0.00 O ATOM 0 H TRP A 106 -3.858 9.938 -7.091 1.00 0.00 H new ATOM 0 HA TRP A 106 -3.946 12.089 -6.215 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -6.090 10.799 -4.888 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -5.162 11.548 -3.604 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -7.568 12.304 -6.333 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -8.096 14.827 -6.455 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -3.803 14.040 -3.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -6.978 17.274 -5.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -3.553 16.468 -2.935 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -5.118 18.088 -3.975 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -1.215 9.875 3.815 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -1.303 7.173 3.882 1.00 0.00 FE HETATM 1570 S1 FES A 107 -2.692 8.592 4.825 1.00 0.00 S HETATM 1571 S2 FES A 107 0.188 8.451 2.882 1.00 0.00 S