USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1131 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 130 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 133 LYS NZ :NH3+ 170:sc= 0.23 (180deg=-0.742) USER MOD Set 1.3: A 139 ASN : amide:sc= 0.0276 K(o=0.26,f=-9.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl -117:sc= 0 (180deg=-0.0325) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 80:sc= 0.258 USER MOD Single : A 17 TYR OH : rot 30:sc= -0.162 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot -102:sc= 0.909 USER MOD Single : A 31 THR OG1 : rot -57:sc= 1.08 USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000109) USER MOD Single : A 34 TYR OH : rot 21:sc= 1.36 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0833 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 48 TYR OH : rot 156:sc= 1.21 USER MOD Single : A 49 GLN : amide:sc= 0.519 K(o=0.52,f=-0.018) USER MOD Single : A 50 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.8!) USER MOD Single : A 53 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.045) USER MOD Single : A 54 GLN : amide:sc= -0.164 K(o=-0.16,f=-0.76) USER MOD Single : A 55 CYS SG : rot 73:sc= 0.0902 USER MOD Single : A 56 THR OG1 : rot 109:sc= -3.3! USER MOD Single : A 68 THR OG1 : rot -82:sc= 1.11 USER MOD Single : A 69 THR OG1 : rot -53:sc= 0.158 USER MOD Single : A 73 MET CE :methyl -173:sc=-0.00591 (180deg=-0.0748) USER MOD Single : A 74 SER OG : rot 6:sc= 0.106 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 21:sc= 0.0286 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot -96:sc= 0.557 USER MOD Single : A 88 ASN : amide:sc=-0.00756 X(o=-0.0076,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc=-0.00667 X(o=-0.0067,f=-0.021) USER MOD Single : A 96 LYS NZ :NH3+ 150:sc= 1.13 (180deg=0.631) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 110 ASN : amide:sc= -0.0212 X(o=-0.021,f=-0.32) USER MOD Single : A 113 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00238) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0173) USER MOD Single : A 129 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.21) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.421! X(o=-0.42!,f=0) USER MOD Single : A 144 THR OG1 : rot 180:sc=-0.00325 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.368 -19.713 -4.356 1.00 0.00 N ATOM 2 CA GLY A 1 6.968 -19.335 -4.572 1.00 0.00 C ATOM 3 C GLY A 1 6.231 -20.396 -5.361 1.00 0.00 C ATOM 4 O GLY A 1 6.174 -20.330 -6.591 1.00 0.00 O ATOM 0 H1 GLY A 1 8.849 -18.968 -3.813 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.408 -20.608 -3.827 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.841 -19.832 -5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.476 -19.185 -3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.923 -18.385 -5.104 1.00 0.00 H new ATOM 7 N ILE A 2 5.644 -21.367 -4.666 1.00 0.00 N ATOM 8 CA ILE A 2 4.674 -22.285 -5.244 1.00 0.00 C ATOM 9 C ILE A 2 3.292 -21.638 -5.114 1.00 0.00 C ATOM 10 O ILE A 2 3.065 -20.852 -4.188 1.00 0.00 O ATOM 11 CB ILE A 2 4.800 -23.683 -4.581 1.00 0.00 C ATOM 12 CG1 ILE A 2 3.716 -24.652 -5.105 1.00 0.00 C ATOM 13 CG2 ILE A 2 4.825 -23.604 -3.043 1.00 0.00 C ATOM 14 CD1 ILE A 2 4.005 -26.131 -4.815 1.00 0.00 C ATOM 0 H ILE A 2 5.832 -21.538 -3.678 1.00 0.00 H new ATOM 0 HA ILE A 2 4.854 -22.463 -6.304 1.00 0.00 H new ATOM 0 HB ILE A 2 5.767 -24.093 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.759 -24.385 -4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.613 -24.517 -6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.914 -24.608 -2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 2 5.676 -23.003 -2.723 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.902 -23.145 -2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.198 -26.745 -5.215 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.945 -26.417 -5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.077 -26.283 -3.738 1.00 0.00 H new ATOM 26 N ARG A 3 2.365 -21.941 -6.030 1.00 0.00 N ATOM 27 CA ARG A 3 0.980 -21.460 -5.964 1.00 0.00 C ATOM 28 C ARG A 3 0.222 -22.259 -4.891 1.00 0.00 C ATOM 29 O ARG A 3 -0.676 -23.053 -5.178 1.00 0.00 O ATOM 30 CB ARG A 3 0.345 -21.468 -7.369 1.00 0.00 C ATOM 31 CG ARG A 3 0.140 -22.865 -7.986 1.00 0.00 C ATOM 32 CD ARG A 3 -1.356 -23.195 -8.131 1.00 0.00 C ATOM 33 NE ARG A 3 -1.582 -24.584 -8.538 1.00 0.00 N ATOM 34 CZ ARG A 3 -1.386 -25.683 -7.804 1.00 0.00 C ATOM 35 NH1 ARG A 3 -0.936 -25.627 -6.550 1.00 0.00 N ATOM 36 NH2 ARG A 3 -1.602 -26.852 -8.376 1.00 0.00 N ATOM 0 H ARG A 3 2.555 -22.529 -6.841 1.00 0.00 H new ATOM 0 HA ARG A 3 0.932 -20.418 -5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.621 -20.966 -7.317 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.974 -20.881 -8.038 1.00 0.00 H new ATOM 0 HG2 ARG A 3 0.621 -22.908 -8.963 1.00 0.00 H new ATOM 0 HG3 ARG A 3 0.622 -23.616 -7.360 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.860 -23.010 -7.182 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.804 -22.526 -8.866 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.927 -24.728 -9.487 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.730 -24.724 -6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -0.798 -26.487 -6.019 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.908 -26.895 -9.348 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.463 -27.712 -7.846 1.00 0.00 H new ATOM 50 N MET A 4 0.633 -22.115 -3.644 1.00 0.00 N ATOM 51 CA MET A 4 0.157 -22.800 -2.455 1.00 0.00 C ATOM 52 C MET A 4 0.361 -21.812 -1.302 1.00 0.00 C ATOM 53 O MET A 4 0.924 -20.738 -1.519 1.00 0.00 O ATOM 54 CB MET A 4 0.968 -24.105 -2.339 1.00 0.00 C ATOM 55 CG MET A 4 0.789 -24.905 -1.049 1.00 0.00 C ATOM 56 SD MET A 4 0.940 -26.696 -1.242 1.00 0.00 S ATOM 57 CE MET A 4 -0.681 -27.021 -1.987 1.00 0.00 C ATOM 0 H MET A 4 1.377 -21.455 -3.417 1.00 0.00 H new ATOM 0 HA MET A 4 -0.894 -23.087 -2.465 1.00 0.00 H new ATOM 0 HB2 MET A 4 0.703 -24.747 -3.179 1.00 0.00 H new ATOM 0 HB3 MET A 4 2.025 -23.861 -2.446 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.529 -24.568 -0.323 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.192 -24.680 -0.631 1.00 0.00 H new ATOM 0 HE1 MET A 4 -1.264 -27.661 -1.325 1.00 0.00 H new ATOM 0 HE2 MET A 4 -1.208 -26.079 -2.137 1.00 0.00 H new ATOM 0 HE3 MET A 4 -0.547 -27.519 -2.947 1.00 0.00 H new ATOM 67 N ALA A 5 -0.072 -22.128 -0.081 1.00 0.00 N ATOM 68 CA ALA A 5 0.108 -21.207 1.032 1.00 0.00 C ATOM 69 C ALA A 5 1.606 -21.004 1.299 1.00 0.00 C ATOM 70 O ALA A 5 2.411 -21.929 1.145 1.00 0.00 O ATOM 71 CB ALA A 5 -0.612 -21.746 2.270 1.00 0.00 C ATOM 0 H ALA A 5 -0.542 -23.001 0.156 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.326 -20.238 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -0.475 -21.054 3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.676 -21.850 2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.199 -22.719 2.536 1.00 0.00 H new ATOM 77 N THR A 6 1.973 -19.788 1.688 1.00 0.00 N ATOM 78 CA THR A 6 3.336 -19.327 1.929 1.00 0.00 C ATOM 79 C THR A 6 3.273 -18.382 3.141 1.00 0.00 C ATOM 80 O THR A 6 2.192 -17.893 3.490 1.00 0.00 O ATOM 81 CB THR A 6 3.850 -18.596 0.668 1.00 0.00 C ATOM 82 OG1 THR A 6 3.477 -19.219 -0.547 1.00 0.00 O ATOM 83 CG2 THR A 6 5.370 -18.430 0.611 1.00 0.00 C ATOM 0 H THR A 6 1.285 -19.053 1.854 1.00 0.00 H new ATOM 0 HA THR A 6 4.021 -20.149 2.135 1.00 0.00 H new ATOM 0 HB THR A 6 3.369 -17.622 0.764 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.833 -18.705 -1.301 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.645 -17.908 -0.305 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.706 -17.853 1.472 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.844 -19.411 0.625 1.00 0.00 H new ATOM 91 N LYS A 7 4.402 -18.106 3.795 1.00 0.00 N ATOM 92 CA LYS A 7 4.429 -17.278 5.000 1.00 0.00 C ATOM 93 C LYS A 7 5.504 -16.212 4.912 1.00 0.00 C ATOM 94 O LYS A 7 6.064 -15.953 3.855 1.00 0.00 O ATOM 95 CB LYS A 7 4.551 -18.175 6.254 1.00 0.00 C ATOM 96 CG LYS A 7 3.257 -18.942 6.577 1.00 0.00 C ATOM 97 CD LYS A 7 3.187 -19.277 8.076 1.00 0.00 C ATOM 98 CE LYS A 7 2.773 -18.046 8.901 1.00 0.00 C ATOM 99 NZ LYS A 7 3.289 -18.097 10.281 1.00 0.00 N ATOM 0 H LYS A 7 5.318 -18.448 3.506 1.00 0.00 H new ATOM 0 HA LYS A 7 3.488 -16.736 5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.361 -18.889 6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.823 -17.557 7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.392 -18.343 6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.216 -19.860 5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.473 -20.084 8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.158 -19.637 8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.140 -17.144 8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.685 -17.976 8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.984 -17.247 10.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.919 -18.943 10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.328 -18.136 10.262 1.00 0.00 H new ATOM 113 N ILE A 8 5.678 -15.523 6.025 1.00 0.00 N ATOM 114 CA ILE A 8 6.676 -14.510 6.270 1.00 0.00 C ATOM 115 C ILE A 8 7.332 -14.890 7.595 1.00 0.00 C ATOM 116 O ILE A 8 6.655 -15.432 8.474 1.00 0.00 O ATOM 117 CB ILE A 8 6.037 -13.106 6.323 1.00 0.00 C ATOM 118 CG1 ILE A 8 5.299 -12.753 7.633 1.00 0.00 C ATOM 119 CG2 ILE A 8 5.094 -12.826 5.147 1.00 0.00 C ATOM 120 CD1 ILE A 8 3.980 -13.478 7.933 1.00 0.00 C ATOM 0 H ILE A 8 5.079 -15.671 6.837 1.00 0.00 H new ATOM 0 HA ILE A 8 7.415 -14.465 5.470 1.00 0.00 H new ATOM 0 HB ILE A 8 6.914 -12.462 6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.981 -12.943 8.462 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.097 -11.682 7.625 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.679 -11.823 5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.648 -12.900 4.211 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.284 -13.556 5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.580 -13.127 8.884 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.262 -13.271 7.139 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.160 -14.552 7.989 1.00 0.00 H new ATOM 132 N ASP A 9 8.613 -14.586 7.771 1.00 0.00 N ATOM 133 CA ASP A 9 9.313 -14.813 9.034 1.00 0.00 C ATOM 134 C ASP A 9 9.040 -13.515 9.782 1.00 0.00 C ATOM 135 O ASP A 9 9.880 -12.618 9.853 1.00 0.00 O ATOM 136 CB ASP A 9 10.804 -15.110 8.819 1.00 0.00 C ATOM 137 CG ASP A 9 11.519 -15.508 10.113 1.00 0.00 C ATOM 138 OD1 ASP A 9 10.985 -15.291 11.226 1.00 0.00 O ATOM 139 OD2 ASP A 9 12.636 -16.074 10.011 1.00 0.00 O ATOM 0 H ASP A 9 9.197 -14.175 7.043 1.00 0.00 H new ATOM 0 HA ASP A 9 8.976 -15.690 9.586 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.909 -15.913 8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.289 -14.230 8.397 1.00 0.00 H new ATOM 144 N LYS A 10 7.800 -13.378 10.255 1.00 0.00 N ATOM 145 CA LYS A 10 7.274 -12.190 10.906 1.00 0.00 C ATOM 146 C LYS A 10 8.163 -11.690 12.027 1.00 0.00 C ATOM 147 O LYS A 10 8.429 -10.493 12.047 1.00 0.00 O ATOM 148 CB LYS A 10 5.809 -12.450 11.317 1.00 0.00 C ATOM 149 CG LYS A 10 4.868 -11.229 11.199 1.00 0.00 C ATOM 150 CD LYS A 10 4.730 -10.376 12.467 1.00 0.00 C ATOM 151 CE LYS A 10 4.020 -11.189 13.562 1.00 0.00 C ATOM 152 NZ LYS A 10 3.986 -10.535 14.888 1.00 0.00 N ATOM 0 H LYS A 10 7.111 -14.127 10.189 1.00 0.00 H new ATOM 0 HA LYS A 10 7.275 -11.360 10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.412 -13.256 10.699 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.794 -12.802 12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.228 -10.592 10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.878 -11.582 10.910 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.714 -10.061 12.814 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.164 -9.470 12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.997 -11.388 13.243 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.517 -12.154 13.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.491 -11.149 15.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.958 -10.369 15.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.485 -9.626 14.814 1.00 0.00 H new ATOM 166 N GLU A 11 8.668 -12.567 12.893 1.00 0.00 N ATOM 167 CA GLU A 11 9.505 -12.132 14.004 1.00 0.00 C ATOM 168 C GLU A 11 10.812 -11.538 13.466 1.00 0.00 C ATOM 169 O GLU A 11 11.212 -10.439 13.858 1.00 0.00 O ATOM 170 CB GLU A 11 9.778 -13.276 14.998 1.00 0.00 C ATOM 171 CG GLU A 11 8.545 -14.019 15.544 1.00 0.00 C ATOM 172 CD GLU A 11 7.432 -13.112 16.069 1.00 0.00 C ATOM 173 OE1 GLU A 11 6.621 -12.614 15.254 1.00 0.00 O ATOM 174 OE2 GLU A 11 7.273 -12.952 17.301 1.00 0.00 O ATOM 0 H GLU A 11 8.513 -13.574 12.846 1.00 0.00 H new ATOM 0 HA GLU A 11 8.968 -11.361 14.556 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.427 -14.004 14.511 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.333 -12.869 15.843 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.138 -14.650 14.753 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.864 -14.682 16.348 1.00 0.00 H new ATOM 181 N ALA A 12 11.494 -12.242 12.556 1.00 0.00 N ATOM 182 CA ALA A 12 12.782 -11.781 12.051 1.00 0.00 C ATOM 183 C ALA A 12 12.641 -10.544 11.172 1.00 0.00 C ATOM 184 O ALA A 12 13.534 -9.693 11.182 1.00 0.00 O ATOM 185 CB ALA A 12 13.476 -12.901 11.275 1.00 0.00 C ATOM 0 H ALA A 12 11.175 -13.126 12.160 1.00 0.00 H new ATOM 0 HA ALA A 12 13.391 -11.505 12.912 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.437 -12.545 10.903 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.636 -13.755 11.933 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.851 -13.203 10.435 1.00 0.00 H new ATOM 191 N CYS A 13 11.552 -10.430 10.409 1.00 0.00 N ATOM 192 CA CYS A 13 11.330 -9.263 9.578 1.00 0.00 C ATOM 193 C CYS A 13 10.907 -8.071 10.434 1.00 0.00 C ATOM 194 O CYS A 13 11.353 -6.957 10.159 1.00 0.00 O ATOM 195 CB CYS A 13 10.287 -9.560 8.497 1.00 0.00 C ATOM 196 SG CYS A 13 10.852 -10.886 7.394 1.00 0.00 S ATOM 0 H CYS A 13 10.816 -11.134 10.355 1.00 0.00 H new ATOM 0 HA CYS A 13 12.266 -9.009 9.081 1.00 0.00 H new ATOM 0 HB2 CYS A 13 9.345 -9.848 8.965 1.00 0.00 H new ATOM 0 HB3 CYS A 13 10.092 -8.658 7.917 1.00 0.00 H new ATOM 0 HG CYS A 13 10.652 -12.038 7.962 1.00 0.00 H new ATOM 202 N ARG A 14 10.089 -8.281 11.477 1.00 0.00 N ATOM 203 CA ARG A 14 9.670 -7.208 12.375 1.00 0.00 C ATOM 204 C ARG A 14 10.871 -6.559 13.056 1.00 0.00 C ATOM 205 O ARG A 14 10.767 -5.372 13.357 1.00 0.00 O ATOM 206 CB ARG A 14 8.607 -7.674 13.388 1.00 0.00 C ATOM 207 CG ARG A 14 8.193 -6.527 14.335 1.00 0.00 C ATOM 208 CD ARG A 14 6.844 -6.707 15.035 1.00 0.00 C ATOM 209 NE ARG A 14 5.713 -6.568 14.099 1.00 0.00 N ATOM 210 CZ ARG A 14 4.431 -6.785 14.409 1.00 0.00 C ATOM 211 NH1 ARG A 14 4.080 -7.152 15.636 1.00 0.00 N ATOM 212 NH2 ARG A 14 3.503 -6.639 13.475 1.00 0.00 N ATOM 0 H ARG A 14 9.705 -9.195 11.716 1.00 0.00 H new ATOM 0 HA ARG A 14 9.190 -6.444 11.764 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.731 -8.042 12.855 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.999 -8.507 13.972 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.965 -6.410 15.096 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.166 -5.599 13.764 1.00 0.00 H new ATOM 0 HD2 ARG A 14 6.807 -7.690 15.504 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.748 -5.970 15.832 1.00 0.00 H new ATOM 0 HE ARG A 14 5.925 -6.285 13.142 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.793 -7.272 16.356 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.098 -7.314 15.858 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.770 -6.363 12.530 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.522 -6.802 13.701 1.00 0.00 H new ATOM 226 N ALA A 15 11.992 -7.263 13.253 1.00 0.00 N ATOM 227 CA ALA A 15 13.182 -6.662 13.825 1.00 0.00 C ATOM 228 C ALA A 15 13.687 -5.522 12.935 1.00 0.00 C ATOM 229 O ALA A 15 13.695 -4.376 13.371 1.00 0.00 O ATOM 230 CB ALA A 15 14.251 -7.724 14.069 1.00 0.00 C ATOM 0 H ALA A 15 12.090 -8.251 13.021 1.00 0.00 H new ATOM 0 HA ALA A 15 12.933 -6.228 14.793 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.137 -7.256 14.498 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.867 -8.475 14.759 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.514 -8.200 13.124 1.00 0.00 H new ATOM 236 N ALA A 16 14.053 -5.794 11.678 1.00 0.00 N ATOM 237 CA ALA A 16 14.549 -4.745 10.783 1.00 0.00 C ATOM 238 C ALA A 16 13.479 -3.681 10.537 1.00 0.00 C ATOM 239 O ALA A 16 13.757 -2.483 10.495 1.00 0.00 O ATOM 240 CB ALA A 16 14.933 -5.341 9.434 1.00 0.00 C ATOM 0 H ALA A 16 14.016 -6.724 11.260 1.00 0.00 H new ATOM 0 HA ALA A 16 15.416 -4.292 11.263 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.300 -4.551 8.778 1.00 0.00 H new ATOM 0 HB2 ALA A 16 15.715 -6.088 9.575 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.060 -5.811 8.982 1.00 0.00 H new ATOM 246 N TYR A 17 12.231 -4.126 10.374 1.00 0.00 N ATOM 247 CA TYR A 17 11.093 -3.246 10.197 1.00 0.00 C ATOM 248 C TYR A 17 10.952 -2.303 11.394 1.00 0.00 C ATOM 249 O TYR A 17 10.603 -1.149 11.186 1.00 0.00 O ATOM 250 CB TYR A 17 9.850 -4.108 9.945 1.00 0.00 C ATOM 251 CG TYR A 17 8.499 -3.473 10.187 1.00 0.00 C ATOM 252 CD1 TYR A 17 7.976 -3.436 11.495 1.00 0.00 C ATOM 253 CD2 TYR A 17 7.736 -2.988 9.110 1.00 0.00 C ATOM 254 CE1 TYR A 17 6.696 -2.911 11.733 1.00 0.00 C ATOM 255 CE2 TYR A 17 6.463 -2.443 9.341 1.00 0.00 C ATOM 256 CZ TYR A 17 5.936 -2.416 10.650 1.00 0.00 C ATOM 257 OH TYR A 17 4.693 -1.912 10.851 1.00 0.00 O ATOM 0 H TYR A 17 11.989 -5.117 10.362 1.00 0.00 H new ATOM 0 HA TYR A 17 11.231 -2.599 9.331 1.00 0.00 H new ATOM 0 HB2 TYR A 17 9.881 -4.448 8.910 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.922 -4.995 10.575 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.563 -3.814 12.319 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.129 -3.035 8.105 1.00 0.00 H new ATOM 0 HE1 TYR A 17 6.296 -2.886 12.736 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.888 -2.045 8.518 1.00 0.00 H new ATOM 0 HH TYR A 17 4.640 -1.521 11.748 1.00 0.00 H new ATOM 267 N ASN A 18 11.238 -2.741 12.627 1.00 0.00 N ATOM 268 CA ASN A 18 11.175 -1.897 13.819 1.00 0.00 C ATOM 269 C ASN A 18 12.168 -0.751 13.716 1.00 0.00 C ATOM 270 O ASN A 18 11.784 0.371 14.031 1.00 0.00 O ATOM 271 CB ASN A 18 11.479 -2.698 15.099 1.00 0.00 C ATOM 272 CG ASN A 18 11.567 -1.814 16.334 1.00 0.00 C ATOM 273 OD1 ASN A 18 10.657 -1.044 16.638 1.00 0.00 O ATOM 274 ND2 ASN A 18 12.642 -1.953 17.085 1.00 0.00 N ATOM 0 H ASN A 18 11.522 -3.701 12.823 1.00 0.00 H new ATOM 0 HA ASN A 18 10.159 -1.507 13.878 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.702 -3.447 15.248 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.419 -3.235 14.973 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.736 -1.414 17.946 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.379 -2.600 16.805 1.00 0.00 H new ATOM 281 N LEU A 19 13.407 -1.028 13.289 1.00 0.00 N ATOM 282 CA LEU A 19 14.423 -0.010 13.065 1.00 0.00 C ATOM 283 C LEU A 19 13.880 1.005 12.071 1.00 0.00 C ATOM 284 O LEU A 19 13.698 2.162 12.409 1.00 0.00 O ATOM 285 CB LEU A 19 15.752 -0.598 12.546 1.00 0.00 C ATOM 286 CG LEU A 19 16.701 -1.201 13.594 1.00 0.00 C ATOM 287 CD1 LEU A 19 16.115 -2.355 14.413 1.00 0.00 C ATOM 288 CD2 LEU A 19 17.933 -1.721 12.848 1.00 0.00 C ATOM 0 H LEU A 19 13.728 -1.975 13.090 1.00 0.00 H new ATOM 0 HA LEU A 19 14.645 0.463 14.022 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.518 -1.372 11.815 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.288 0.190 12.016 1.00 0.00 H new ATOM 0 HG LEU A 19 16.922 -0.410 14.310 1.00 0.00 H new ATOM 0 HD11 LEU A 19 16.860 -2.712 15.124 1.00 0.00 H new ATOM 0 HD12 LEU A 19 15.235 -2.007 14.954 1.00 0.00 H new ATOM 0 HD13 LEU A 19 15.832 -3.168 13.745 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.632 -2.158 13.561 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.628 -2.480 12.127 1.00 0.00 H new ATOM 0 HD23 LEU A 19 18.416 -0.896 12.325 1.00 0.00 H new ATOM 300 N VAL A 20 13.571 0.576 10.852 1.00 0.00 N ATOM 301 CA VAL A 20 13.113 1.472 9.794 1.00 0.00 C ATOM 302 C VAL A 20 11.837 2.234 10.211 1.00 0.00 C ATOM 303 O VAL A 20 11.671 3.406 9.858 1.00 0.00 O ATOM 304 CB VAL A 20 13.011 0.615 8.516 1.00 0.00 C ATOM 305 CG1 VAL A 20 12.271 1.239 7.341 1.00 0.00 C ATOM 306 CG2 VAL A 20 14.427 0.321 8.017 1.00 0.00 C ATOM 0 H VAL A 20 13.631 -0.402 10.569 1.00 0.00 H new ATOM 0 HA VAL A 20 13.810 2.286 9.594 1.00 0.00 H new ATOM 0 HB VAL A 20 12.438 -0.261 8.821 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.266 0.542 6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.245 1.462 7.634 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.772 2.160 7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.376 -0.285 7.112 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.937 1.259 7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.979 -0.220 8.786 1.00 0.00 H new ATOM 316 N ARG A 21 10.948 1.607 10.990 1.00 0.00 N ATOM 317 CA ARG A 21 9.740 2.222 11.534 1.00 0.00 C ATOM 318 C ARG A 21 10.082 3.293 12.564 1.00 0.00 C ATOM 319 O ARG A 21 9.364 4.288 12.626 1.00 0.00 O ATOM 320 CB ARG A 21 8.871 1.136 12.192 1.00 0.00 C ATOM 321 CG ARG A 21 7.539 1.662 12.742 1.00 0.00 C ATOM 322 CD ARG A 21 6.737 0.474 13.279 1.00 0.00 C ATOM 323 NE ARG A 21 5.422 0.875 13.787 1.00 0.00 N ATOM 324 CZ ARG A 21 5.166 1.541 14.917 1.00 0.00 C ATOM 325 NH1 ARG A 21 6.136 1.959 15.727 1.00 0.00 N ATOM 326 NH2 ARG A 21 3.897 1.766 15.219 1.00 0.00 N ATOM 0 H ARG A 21 11.056 0.631 11.265 1.00 0.00 H new ATOM 0 HA ARG A 21 9.196 2.696 10.717 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.668 0.353 11.461 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.433 0.676 13.005 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.716 2.389 13.534 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.980 2.174 11.958 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.609 -0.263 12.486 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.300 -0.011 14.077 1.00 0.00 H new ATOM 0 HE ARG A 21 4.616 0.618 13.217 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.111 1.774 15.493 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.904 2.465 16.582 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.159 1.435 14.598 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.658 2.271 16.072 1.00 0.00 H new ATOM 340 N ASP A 22 11.101 3.083 13.393 1.00 0.00 N ATOM 341 CA ASP A 22 11.537 4.039 14.404 1.00 0.00 C ATOM 342 C ASP A 22 12.098 5.278 13.700 1.00 0.00 C ATOM 343 O ASP A 22 12.769 5.174 12.673 1.00 0.00 O ATOM 344 CB ASP A 22 12.566 3.368 15.332 1.00 0.00 C ATOM 345 CG ASP A 22 13.155 4.316 16.375 1.00 0.00 C ATOM 346 OD1 ASP A 22 12.492 5.325 16.702 1.00 0.00 O ATOM 347 OD2 ASP A 22 14.274 4.023 16.858 1.00 0.00 O ATOM 0 H ASP A 22 11.656 2.228 13.380 1.00 0.00 H new ATOM 0 HA ASP A 22 10.703 4.359 15.028 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.091 2.529 15.842 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.375 2.957 14.728 1.00 0.00 H new ATOM 352 N ASP A 23 11.750 6.464 14.195 1.00 0.00 N ATOM 353 CA ASP A 23 12.238 7.752 13.717 1.00 0.00 C ATOM 354 C ASP A 23 13.588 8.103 14.342 1.00 0.00 C ATOM 355 O ASP A 23 14.253 9.024 13.873 1.00 0.00 O ATOM 356 CB ASP A 23 11.174 8.842 13.942 1.00 0.00 C ATOM 357 CG ASP A 23 10.112 8.833 12.838 1.00 0.00 C ATOM 358 OD1 ASP A 23 9.262 7.912 12.798 1.00 0.00 O ATOM 359 OD2 ASP A 23 10.220 9.656 11.899 1.00 0.00 O ATOM 0 H ASP A 23 11.094 6.556 14.971 1.00 0.00 H new ATOM 0 HA ASP A 23 12.411 7.686 12.643 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.695 8.689 14.909 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.656 9.819 13.976 1.00 0.00 H new ATOM 364 N GLY A 24 14.019 7.355 15.363 1.00 0.00 N ATOM 365 CA GLY A 24 15.310 7.480 16.022 1.00 0.00 C ATOM 366 C GLY A 24 16.325 6.455 15.507 1.00 0.00 C ATOM 367 O GLY A 24 17.406 6.336 16.087 1.00 0.00 O ATOM 0 H GLY A 24 13.446 6.614 15.766 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.700 8.486 15.865 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.181 7.353 17.097 1.00 0.00 H new ATOM 371 N SER A 25 15.995 5.670 14.477 1.00 0.00 N ATOM 372 CA SER A 25 16.918 4.723 13.872 1.00 0.00 C ATOM 373 C SER A 25 17.764 5.424 12.817 1.00 0.00 C ATOM 374 O SER A 25 17.273 6.262 12.060 1.00 0.00 O ATOM 375 CB SER A 25 16.127 3.580 13.228 1.00 0.00 C ATOM 376 OG SER A 25 16.936 2.753 12.407 1.00 0.00 O ATOM 0 H SER A 25 15.073 5.679 14.042 1.00 0.00 H new ATOM 0 HA SER A 25 17.576 4.320 14.642 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.670 2.974 14.010 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.315 3.996 12.631 1.00 0.00 H new ATOM 0 HG SER A 25 16.781 2.975 11.465 1.00 0.00 H new ATOM 382 N ALA A 26 19.044 5.050 12.752 1.00 0.00 N ATOM 383 CA ALA A 26 19.955 5.547 11.732 1.00 0.00 C ATOM 384 C ALA A 26 19.719 4.758 10.435 1.00 0.00 C ATOM 385 O ALA A 26 19.957 5.276 9.351 1.00 0.00 O ATOM 386 CB ALA A 26 21.406 5.386 12.200 1.00 0.00 C ATOM 0 H ALA A 26 19.472 4.395 13.406 1.00 0.00 H new ATOM 0 HA ALA A 26 19.771 6.606 11.553 1.00 0.00 H new ATOM 0 HB1 ALA A 26 22.080 5.761 11.430 1.00 0.00 H new ATOM 0 HB2 ALA A 26 21.556 5.951 13.120 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.614 4.332 12.383 1.00 0.00 H new ATOM 392 N VAL A 27 19.278 3.499 10.539 1.00 0.00 N ATOM 393 CA VAL A 27 18.929 2.656 9.406 1.00 0.00 C ATOM 394 C VAL A 27 17.598 3.178 8.866 1.00 0.00 C ATOM 395 O VAL A 27 16.621 3.260 9.619 1.00 0.00 O ATOM 396 CB VAL A 27 18.855 1.181 9.859 1.00 0.00 C ATOM 397 CG1 VAL A 27 18.193 0.268 8.821 1.00 0.00 C ATOM 398 CG2 VAL A 27 20.263 0.642 10.161 1.00 0.00 C ATOM 0 H VAL A 27 19.153 3.034 11.438 1.00 0.00 H new ATOM 0 HA VAL A 27 19.677 2.693 8.614 1.00 0.00 H new ATOM 0 HB VAL A 27 18.238 1.171 10.757 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.171 -0.755 9.197 1.00 0.00 H new ATOM 0 HG12 VAL A 27 17.174 0.608 8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.762 0.300 7.892 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.194 -0.398 10.479 1.00 0.00 H new ATOM 0 HG22 VAL A 27 20.878 0.707 9.263 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.717 1.235 10.955 1.00 0.00 H new ATOM 408 N ILE A 28 17.565 3.503 7.572 1.00 0.00 N ATOM 409 CA ILE A 28 16.398 4.032 6.876 1.00 0.00 C ATOM 410 C ILE A 28 15.901 3.058 5.802 1.00 0.00 C ATOM 411 O ILE A 28 14.719 3.095 5.462 1.00 0.00 O ATOM 412 CB ILE A 28 16.693 5.439 6.301 1.00 0.00 C ATOM 413 CG1 ILE A 28 17.555 5.426 5.012 1.00 0.00 C ATOM 414 CG2 ILE A 28 17.311 6.372 7.356 1.00 0.00 C ATOM 415 CD1 ILE A 28 16.681 5.564 3.759 1.00 0.00 C ATOM 0 H ILE A 28 18.377 3.401 6.963 1.00 0.00 H new ATOM 0 HA ILE A 28 15.589 4.141 7.598 1.00 0.00 H new ATOM 0 HB ILE A 28 15.718 5.833 6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.278 6.241 5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 28 18.124 4.498 4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 28 17.502 7.348 6.911 1.00 0.00 H new ATOM 0 HG22 ILE A 28 16.621 6.483 8.192 1.00 0.00 H new ATOM 0 HG23 ILE A 28 18.249 5.946 7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 28 17.313 5.552 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 28 15.976 4.734 3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 28 16.132 6.505 3.800 1.00 0.00 H new ATOM 427 N TRP A 29 16.757 2.177 5.273 1.00 0.00 N ATOM 428 CA TRP A 29 16.363 1.189 4.284 1.00 0.00 C ATOM 429 C TRP A 29 16.761 -0.189 4.784 1.00 0.00 C ATOM 430 O TRP A 29 17.794 -0.360 5.428 1.00 0.00 O ATOM 431 CB TRP A 29 16.957 1.511 2.901 1.00 0.00 C ATOM 432 CG TRP A 29 18.439 1.417 2.731 1.00 0.00 C ATOM 433 CD1 TRP A 29 19.297 2.462 2.683 1.00 0.00 C ATOM 434 CD2 TRP A 29 19.247 0.216 2.520 1.00 0.00 C ATOM 435 NE1 TRP A 29 20.575 1.981 2.503 1.00 0.00 N ATOM 436 CE2 TRP A 29 20.608 0.610 2.418 1.00 0.00 C ATOM 437 CE3 TRP A 29 18.978 -1.166 2.401 1.00 0.00 C ATOM 438 CZ2 TRP A 29 21.654 -0.312 2.292 1.00 0.00 C ATOM 439 CZ3 TRP A 29 20.019 -2.103 2.240 1.00 0.00 C ATOM 440 CH2 TRP A 29 21.359 -1.681 2.201 1.00 0.00 C ATOM 0 H TRP A 29 17.745 2.136 5.525 1.00 0.00 H new ATOM 0 HA TRP A 29 15.281 1.210 4.153 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.495 0.841 2.176 1.00 0.00 H new ATOM 0 HB3 TRP A 29 16.655 2.524 2.636 1.00 0.00 H new ATOM 0 HD1 TRP A 29 19.024 3.503 2.771 1.00 0.00 H new ATOM 0 HE1 TRP A 29 21.402 2.575 2.440 1.00 0.00 H new ATOM 0 HE3 TRP A 29 17.955 -1.511 2.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 22.679 0.027 2.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 19.785 -3.153 2.146 1.00 0.00 H new ATOM 0 HH2 TRP A 29 22.155 -2.404 2.102 1.00 0.00 H new ATOM 451 N VAL A 30 15.934 -1.170 4.460 1.00 0.00 N ATOM 452 CA VAL A 30 16.098 -2.590 4.732 1.00 0.00 C ATOM 453 C VAL A 30 15.719 -3.311 3.453 1.00 0.00 C ATOM 454 O VAL A 30 14.988 -2.776 2.619 1.00 0.00 O ATOM 455 CB VAL A 30 15.172 -2.979 5.905 1.00 0.00 C ATOM 456 CG1 VAL A 30 14.800 -4.462 6.046 1.00 0.00 C ATOM 457 CG2 VAL A 30 15.788 -2.530 7.234 1.00 0.00 C ATOM 0 H VAL A 30 15.064 -0.980 3.962 1.00 0.00 H new ATOM 0 HA VAL A 30 17.116 -2.853 5.019 1.00 0.00 H new ATOM 0 HB VAL A 30 14.243 -2.464 5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.147 -4.593 6.909 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.283 -4.795 5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.706 -5.053 6.183 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.127 -2.809 8.054 1.00 0.00 H new ATOM 0 HG22 VAL A 30 16.756 -3.013 7.368 1.00 0.00 H new ATOM 0 HG23 VAL A 30 15.920 -1.448 7.227 1.00 0.00 H new ATOM 467 N THR A 31 16.188 -4.538 3.311 1.00 0.00 N ATOM 468 CA THR A 31 15.851 -5.407 2.202 1.00 0.00 C ATOM 469 C THR A 31 15.170 -6.640 2.784 1.00 0.00 C ATOM 470 O THR A 31 15.382 -6.987 3.950 1.00 0.00 O ATOM 471 CB THR A 31 17.059 -5.693 1.299 1.00 0.00 C ATOM 472 OG1 THR A 31 18.150 -6.206 2.017 1.00 0.00 O ATOM 473 CG2 THR A 31 17.529 -4.446 0.548 1.00 0.00 C ATOM 0 H THR A 31 16.828 -4.966 3.980 1.00 0.00 H new ATOM 0 HA THR A 31 15.152 -4.924 1.519 1.00 0.00 H new ATOM 0 HB THR A 31 16.710 -6.439 0.585 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.400 -5.577 2.726 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.385 -4.699 -0.077 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.720 -4.072 -0.079 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.818 -3.677 1.264 1.00 0.00 H new ATOM 481 N PHE A 32 14.337 -7.298 1.987 1.00 0.00 N ATOM 482 CA PHE A 32 13.667 -8.524 2.355 1.00 0.00 C ATOM 483 C PHE A 32 13.981 -9.524 1.254 1.00 0.00 C ATOM 484 O PHE A 32 13.739 -9.268 0.072 1.00 0.00 O ATOM 485 CB PHE A 32 12.163 -8.270 2.556 1.00 0.00 C ATOM 486 CG PHE A 32 11.804 -7.550 3.849 1.00 0.00 C ATOM 487 CD1 PHE A 32 12.289 -8.034 5.079 1.00 0.00 C ATOM 488 CD2 PHE A 32 10.953 -6.427 3.849 1.00 0.00 C ATOM 489 CE1 PHE A 32 11.994 -7.375 6.283 1.00 0.00 C ATOM 490 CE2 PHE A 32 10.606 -5.806 5.064 1.00 0.00 C ATOM 491 CZ PHE A 32 11.142 -6.262 6.279 1.00 0.00 C ATOM 0 H PHE A 32 14.108 -6.980 1.045 1.00 0.00 H new ATOM 0 HA PHE A 32 14.012 -8.924 3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 32 11.792 -7.684 1.715 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.641 -9.227 2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.897 -8.926 5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.567 -6.042 2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.423 -7.725 7.210 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.921 -4.971 5.061 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.900 -5.759 7.203 1.00 0.00 H new ATOM 501 N LYS A 33 14.553 -10.654 1.658 1.00 0.00 N ATOM 502 CA LYS A 33 15.034 -11.739 0.825 1.00 0.00 C ATOM 503 C LYS A 33 14.033 -12.866 1.015 1.00 0.00 C ATOM 504 O LYS A 33 13.089 -12.744 1.799 1.00 0.00 O ATOM 505 CB LYS A 33 16.445 -12.174 1.274 1.00 0.00 C ATOM 506 CG LYS A 33 17.494 -11.057 1.429 1.00 0.00 C ATOM 507 CD LYS A 33 18.392 -10.851 0.199 1.00 0.00 C ATOM 508 CE LYS A 33 19.735 -11.592 0.310 1.00 0.00 C ATOM 509 NZ LYS A 33 19.595 -13.052 0.484 1.00 0.00 N ATOM 0 H LYS A 33 14.701 -10.844 2.649 1.00 0.00 H new ATOM 0 HA LYS A 33 15.115 -11.448 -0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.354 -12.691 2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.823 -12.899 0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.980 -10.121 1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.124 -11.284 2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.865 -11.195 -0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.580 -9.786 0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.323 -11.397 -0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.295 -11.187 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.538 -13.488 0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.075 -13.249 1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.073 -13.449 -0.323 1.00 0.00 H new ATOM 523 N TYR A 34 14.220 -13.961 0.296 1.00 0.00 N ATOM 524 CA TYR A 34 13.371 -15.127 0.459 1.00 0.00 C ATOM 525 C TYR A 34 14.203 -16.294 0.951 1.00 0.00 C ATOM 526 O TYR A 34 15.415 -16.366 0.719 1.00 0.00 O ATOM 527 CB TYR A 34 12.687 -15.472 -0.867 1.00 0.00 C ATOM 528 CG TYR A 34 11.699 -14.425 -1.328 1.00 0.00 C ATOM 529 CD1 TYR A 34 12.158 -13.178 -1.796 1.00 0.00 C ATOM 530 CD2 TYR A 34 10.319 -14.676 -1.231 1.00 0.00 C ATOM 531 CE1 TYR A 34 11.250 -12.135 -2.015 1.00 0.00 C ATOM 532 CE2 TYR A 34 9.401 -13.667 -1.561 1.00 0.00 C ATOM 533 CZ TYR A 34 9.871 -12.366 -1.853 1.00 0.00 C ATOM 534 OH TYR A 34 8.999 -11.330 -1.908 1.00 0.00 O ATOM 0 H TYR A 34 14.953 -14.066 -0.406 1.00 0.00 H new ATOM 0 HA TYR A 34 12.597 -14.911 1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 34 13.449 -15.604 -1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.170 -16.426 -0.762 1.00 0.00 H new ATOM 0 HD1 TYR A 34 13.210 -13.027 -1.986 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.966 -15.643 -0.903 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.606 -11.158 -2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.343 -13.883 -1.592 1.00 0.00 H new ATOM 0 HH TYR A 34 9.411 -10.581 -2.388 1.00 0.00 H new ATOM 544 N ASP A 35 13.525 -17.220 1.605 1.00 0.00 N ATOM 545 CA ASP A 35 14.028 -18.488 2.113 1.00 0.00 C ATOM 546 C ASP A 35 12.901 -19.506 1.893 1.00 0.00 C ATOM 547 O ASP A 35 11.781 -19.087 1.592 1.00 0.00 O ATOM 548 CB ASP A 35 14.399 -18.326 3.592 1.00 0.00 C ATOM 549 CG ASP A 35 14.965 -19.597 4.223 1.00 0.00 C ATOM 550 OD1 ASP A 35 15.563 -20.424 3.501 1.00 0.00 O ATOM 551 OD2 ASP A 35 14.817 -19.762 5.458 1.00 0.00 O ATOM 0 H ASP A 35 12.534 -17.098 1.811 1.00 0.00 H new ATOM 0 HA ASP A 35 14.931 -18.826 1.604 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.132 -17.525 3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.514 -18.017 4.148 1.00 0.00 H new ATOM 556 N GLY A 36 13.182 -20.806 2.019 1.00 0.00 N ATOM 557 CA GLY A 36 12.278 -21.950 1.877 1.00 0.00 C ATOM 558 C GLY A 36 10.932 -21.633 1.220 1.00 0.00 C ATOM 559 O GLY A 36 10.785 -21.713 -0.003 1.00 0.00 O ATOM 0 H GLY A 36 14.130 -21.111 2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.779 -22.720 1.290 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.093 -22.372 2.865 1.00 0.00 H new ATOM 563 N SER A 37 9.950 -21.250 2.031 1.00 0.00 N ATOM 564 CA SER A 37 8.618 -20.818 1.627 1.00 0.00 C ATOM 565 C SER A 37 8.227 -19.564 2.424 1.00 0.00 C ATOM 566 O SER A 37 7.109 -19.480 2.954 1.00 0.00 O ATOM 567 CB SER A 37 7.637 -21.998 1.757 1.00 0.00 C ATOM 568 OG SER A 37 7.864 -22.782 2.917 1.00 0.00 O ATOM 0 H SER A 37 10.070 -21.232 3.044 1.00 0.00 H new ATOM 0 HA SER A 37 8.591 -20.524 0.578 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.617 -21.615 1.778 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.721 -22.632 0.874 1.00 0.00 H new ATOM 0 HG SER A 37 7.213 -23.514 2.950 1.00 0.00 H new ATOM 574 N THR A 38 9.150 -18.605 2.563 1.00 0.00 N ATOM 575 CA THR A 38 8.925 -17.417 3.363 1.00 0.00 C ATOM 576 C THR A 38 9.776 -16.214 2.943 1.00 0.00 C ATOM 577 O THR A 38 10.643 -16.304 2.068 1.00 0.00 O ATOM 578 CB THR A 38 9.118 -17.831 4.826 1.00 0.00 C ATOM 579 OG1 THR A 38 8.480 -16.931 5.689 1.00 0.00 O ATOM 580 CG2 THR A 38 10.579 -17.961 5.258 1.00 0.00 C ATOM 0 H THR A 38 10.069 -18.640 2.121 1.00 0.00 H new ATOM 0 HA THR A 38 7.911 -17.048 3.207 1.00 0.00 H new ATOM 0 HB THR A 38 8.670 -18.822 4.893 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.615 -17.216 6.617 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.624 -18.257 6.306 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.073 -18.716 4.646 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.083 -17.003 5.130 1.00 0.00 H new ATOM 588 N ILE A 39 9.501 -15.077 3.586 1.00 0.00 N ATOM 589 CA ILE A 39 10.212 -13.812 3.442 1.00 0.00 C ATOM 590 C ILE A 39 11.105 -13.660 4.672 1.00 0.00 C ATOM 591 O ILE A 39 10.652 -13.934 5.786 1.00 0.00 O ATOM 592 CB ILE A 39 9.240 -12.604 3.397 1.00 0.00 C ATOM 593 CG1 ILE A 39 7.927 -12.794 2.612 1.00 0.00 C ATOM 594 CG2 ILE A 39 9.992 -11.367 2.882 1.00 0.00 C ATOM 595 CD1 ILE A 39 8.093 -13.170 1.149 1.00 0.00 C ATOM 0 H ILE A 39 8.735 -15.014 4.256 1.00 0.00 H new ATOM 0 HA ILE A 39 10.776 -13.824 2.510 1.00 0.00 H new ATOM 0 HB ILE A 39 8.906 -12.481 4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.338 -13.568 3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.352 -11.870 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.312 -10.516 2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.823 -11.142 3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.375 -11.565 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.111 -13.280 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.651 -12.388 0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.636 -14.112 1.075 1.00 0.00 H new ATOM 607 N VAL A 40 12.330 -13.172 4.489 1.00 0.00 N ATOM 608 CA VAL A 40 13.325 -12.986 5.545 1.00 0.00 C ATOM 609 C VAL A 40 14.017 -11.620 5.412 1.00 0.00 C ATOM 610 O VAL A 40 13.964 -11.040 4.330 1.00 0.00 O ATOM 611 CB VAL A 40 14.328 -14.149 5.491 1.00 0.00 C ATOM 612 CG1 VAL A 40 13.619 -15.493 5.568 1.00 0.00 C ATOM 613 CG2 VAL A 40 15.160 -14.174 4.216 1.00 0.00 C ATOM 0 H VAL A 40 12.670 -12.885 3.571 1.00 0.00 H new ATOM 0 HA VAL A 40 12.837 -12.991 6.519 1.00 0.00 H new ATOM 0 HB VAL A 40 14.981 -13.986 6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.355 -16.296 5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.063 -15.558 6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.930 -15.590 4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.846 -15.020 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.501 -14.271 3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.729 -13.248 4.135 1.00 0.00 H new ATOM 623 N PRO A 41 14.665 -11.068 6.453 1.00 0.00 N ATOM 624 CA PRO A 41 15.415 -9.816 6.339 1.00 0.00 C ATOM 625 C PRO A 41 16.705 -10.035 5.537 1.00 0.00 C ATOM 626 O PRO A 41 17.287 -11.122 5.576 1.00 0.00 O ATOM 627 CB PRO A 41 15.706 -9.387 7.779 1.00 0.00 C ATOM 628 CG PRO A 41 15.751 -10.715 8.527 1.00 0.00 C ATOM 629 CD PRO A 41 14.694 -11.555 7.822 1.00 0.00 C ATOM 0 HA PRO A 41 14.858 -9.045 5.806 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.650 -8.847 7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 41 14.929 -8.729 8.170 1.00 0.00 H new ATOM 0 HG2 PRO A 41 16.737 -11.177 8.467 1.00 0.00 H new ATOM 0 HG3 PRO A 41 15.523 -10.588 9.585 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.947 -12.615 7.857 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.721 -11.443 8.300 1.00 0.00 H new ATOM 637 N GLY A 42 17.146 -9.002 4.823 1.00 0.00 N ATOM 638 CA GLY A 42 18.382 -8.940 4.051 1.00 0.00 C ATOM 639 C GLY A 42 19.310 -7.889 4.651 1.00 0.00 C ATOM 640 O GLY A 42 19.365 -7.736 5.871 1.00 0.00 O ATOM 0 H GLY A 42 16.616 -8.132 4.765 1.00 0.00 H new ATOM 0 HA2 GLY A 42 18.871 -9.914 4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 42 18.161 -8.694 3.012 1.00 0.00 H new ATOM 644 N GLU A 43 20.080 -7.207 3.807 1.00 0.00 N ATOM 645 CA GLU A 43 20.945 -6.107 4.220 1.00 0.00 C ATOM 646 C GLU A 43 20.067 -4.911 4.606 1.00 0.00 C ATOM 647 O GLU A 43 18.889 -4.838 4.231 1.00 0.00 O ATOM 648 CB GLU A 43 21.880 -5.680 3.072 1.00 0.00 C ATOM 649 CG GLU A 43 22.707 -6.816 2.457 1.00 0.00 C ATOM 650 CD GLU A 43 23.492 -7.639 3.473 1.00 0.00 C ATOM 651 OE1 GLU A 43 24.051 -7.042 4.420 1.00 0.00 O ATOM 652 OE2 GLU A 43 23.557 -8.879 3.308 1.00 0.00 O ATOM 0 H GLU A 43 20.121 -7.405 2.807 1.00 0.00 H new ATOM 0 HA GLU A 43 21.552 -6.436 5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 43 21.280 -5.220 2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.561 -4.914 3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 43 22.040 -7.479 1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 43 23.403 -6.393 1.733 1.00 0.00 H new ATOM 659 N GLN A 44 20.655 -3.940 5.298 1.00 0.00 N ATOM 660 CA GLN A 44 20.017 -2.690 5.684 1.00 0.00 C ATOM 661 C GLN A 44 21.063 -1.577 5.636 1.00 0.00 C ATOM 662 O GLN A 44 22.259 -1.860 5.513 1.00 0.00 O ATOM 663 CB GLN A 44 19.336 -2.863 7.055 1.00 0.00 C ATOM 664 CG GLN A 44 20.291 -3.086 8.237 1.00 0.00 C ATOM 665 CD GLN A 44 19.587 -3.350 9.574 1.00 0.00 C ATOM 666 OE1 GLN A 44 18.380 -3.561 9.663 1.00 0.00 O ATOM 667 NE2 GLN A 44 20.347 -3.376 10.657 1.00 0.00 N ATOM 0 H GLN A 44 21.622 -4.006 5.615 1.00 0.00 H new ATOM 0 HA GLN A 44 19.223 -2.407 4.992 1.00 0.00 H new ATOM 0 HB2 GLN A 44 18.734 -1.978 7.258 1.00 0.00 H new ATOM 0 HB3 GLN A 44 18.651 -3.709 6.998 1.00 0.00 H new ATOM 0 HG2 GLN A 44 20.942 -3.930 8.009 1.00 0.00 H new ATOM 0 HG3 GLN A 44 20.931 -2.210 8.343 1.00 0.00 H new ATOM 0 HE21 GLN A 44 21.349 -3.201 10.581 1.00 0.00 H new ATOM 0 HE22 GLN A 44 19.931 -3.571 11.567 1.00 0.00 H new ATOM 676 N GLY A 45 20.645 -0.317 5.729 1.00 0.00 N ATOM 677 CA GLY A 45 21.560 0.807 5.637 1.00 0.00 C ATOM 678 C GLY A 45 20.886 2.148 5.895 1.00 0.00 C ATOM 679 O GLY A 45 19.667 2.243 6.065 1.00 0.00 O ATOM 0 H GLY A 45 19.670 -0.052 5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 45 22.369 0.669 6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 45 22.013 0.819 4.645 1.00 0.00 H new ATOM 683 N ALA A 46 21.712 3.190 5.924 1.00 0.00 N ATOM 684 CA ALA A 46 21.341 4.591 6.071 1.00 0.00 C ATOM 685 C ALA A 46 21.639 5.367 4.786 1.00 0.00 C ATOM 686 O ALA A 46 20.987 6.365 4.496 1.00 0.00 O ATOM 687 CB ALA A 46 22.177 5.183 7.211 1.00 0.00 C ATOM 0 H ALA A 46 22.721 3.069 5.840 1.00 0.00 H new ATOM 0 HA ALA A 46 20.274 4.664 6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.919 6.234 7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.971 4.640 8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.236 5.097 6.968 1.00 0.00 H new ATOM 693 N GLU A 47 22.604 4.896 3.995 1.00 0.00 N ATOM 694 CA GLU A 47 23.087 5.532 2.778 1.00 0.00 C ATOM 695 C GLU A 47 22.589 4.656 1.617 1.00 0.00 C ATOM 696 O GLU A 47 22.754 3.436 1.648 1.00 0.00 O ATOM 697 CB GLU A 47 24.610 5.716 2.960 1.00 0.00 C ATOM 698 CG GLU A 47 25.344 6.458 1.833 1.00 0.00 C ATOM 699 CD GLU A 47 25.940 5.486 0.819 1.00 0.00 C ATOM 700 OE1 GLU A 47 25.236 4.506 0.489 1.00 0.00 O ATOM 701 OE2 GLU A 47 27.079 5.683 0.341 1.00 0.00 O ATOM 0 H GLU A 47 23.089 4.022 4.198 1.00 0.00 H new ATOM 0 HA GLU A 47 22.715 6.532 2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 47 24.781 6.254 3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.063 4.731 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 47 24.652 7.132 1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 47 26.137 7.074 2.258 1.00 0.00 H new ATOM 708 N TYR A 48 21.943 5.254 0.607 1.00 0.00 N ATOM 709 CA TYR A 48 21.318 4.538 -0.513 1.00 0.00 C ATOM 710 C TYR A 48 22.284 4.178 -1.656 1.00 0.00 C ATOM 711 O TYR A 48 21.925 3.420 -2.550 1.00 0.00 O ATOM 712 CB TYR A 48 20.178 5.414 -1.066 1.00 0.00 C ATOM 713 CG TYR A 48 19.276 4.756 -2.109 1.00 0.00 C ATOM 714 CD1 TYR A 48 18.162 3.986 -1.716 1.00 0.00 C ATOM 715 CD2 TYR A 48 19.539 4.931 -3.483 1.00 0.00 C ATOM 716 CE1 TYR A 48 17.345 3.372 -2.686 1.00 0.00 C ATOM 717 CE2 TYR A 48 18.728 4.316 -4.455 1.00 0.00 C ATOM 718 CZ TYR A 48 17.636 3.514 -4.064 1.00 0.00 C ATOM 719 OH TYR A 48 16.878 2.875 -5.000 1.00 0.00 O ATOM 0 H TYR A 48 21.838 6.267 0.544 1.00 0.00 H new ATOM 0 HA TYR A 48 20.956 3.587 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 48 19.558 5.739 -0.231 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.615 6.310 -1.506 1.00 0.00 H new ATOM 0 HD1 TYR A 48 17.934 3.866 -0.667 1.00 0.00 H new ATOM 0 HD2 TYR A 48 20.372 5.544 -3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 48 16.491 2.789 -2.376 1.00 0.00 H new ATOM 0 HE2 TYR A 48 18.943 4.459 -5.504 1.00 0.00 H new ATOM 0 HH TYR A 48 16.944 3.351 -5.854 1.00 0.00 H new ATOM 729 N GLN A 49 23.524 4.656 -1.662 1.00 0.00 N ATOM 730 CA GLN A 49 24.504 4.270 -2.681 1.00 0.00 C ATOM 731 C GLN A 49 24.691 2.743 -2.645 1.00 0.00 C ATOM 732 O GLN A 49 24.793 2.079 -3.679 1.00 0.00 O ATOM 733 CB GLN A 49 25.838 4.962 -2.392 1.00 0.00 C ATOM 734 CG GLN A 49 26.764 5.052 -3.595 1.00 0.00 C ATOM 735 CD GLN A 49 28.255 5.072 -3.236 1.00 0.00 C ATOM 736 OE1 GLN A 49 29.080 4.792 -4.101 1.00 0.00 O ATOM 737 NE2 GLN A 49 28.663 5.313 -1.993 1.00 0.00 N ATOM 0 H GLN A 49 23.879 5.316 -0.970 1.00 0.00 H new ATOM 0 HA GLN A 49 24.151 4.571 -3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 49 25.641 5.968 -2.023 1.00 0.00 H new ATOM 0 HB3 GLN A 49 26.349 4.424 -1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.571 4.205 -4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.524 5.954 -4.158 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.983 5.546 -1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.656 5.265 -1.764 1.00 0.00 H new ATOM 746 N HIS A 50 24.723 2.171 -1.442 1.00 0.00 N ATOM 747 CA HIS A 50 24.811 0.727 -1.245 1.00 0.00 C ATOM 748 C HIS A 50 23.546 0.012 -1.736 1.00 0.00 C ATOM 749 O HIS A 50 23.617 -1.166 -2.070 1.00 0.00 O ATOM 750 CB HIS A 50 25.080 0.405 0.227 1.00 0.00 C ATOM 751 CG HIS A 50 26.395 0.966 0.701 1.00 0.00 C ATOM 752 ND1 HIS A 50 26.609 2.263 1.108 1.00 0.00 N ATOM 753 CD2 HIS A 50 27.598 0.315 0.743 1.00 0.00 C ATOM 754 CE1 HIS A 50 27.908 2.411 1.393 1.00 0.00 C ATOM 755 NE2 HIS A 50 28.552 1.255 1.154 1.00 0.00 N ATOM 0 H HIS A 50 24.688 2.701 -0.571 1.00 0.00 H new ATOM 0 HA HIS A 50 25.646 0.359 -1.841 1.00 0.00 H new ATOM 0 HB2 HIS A 50 24.273 0.809 0.839 1.00 0.00 H new ATOM 0 HB3 HIS A 50 25.076 -0.676 0.367 1.00 0.00 H new ATOM 0 HD1 HIS A 50 25.897 2.990 1.180 1.00 0.00 H new ATOM 0 HD2 HIS A 50 27.777 -0.723 0.505 1.00 0.00 H new ATOM 0 HE1 HIS A 50 28.368 3.318 1.758 1.00 0.00 H new ATOM 763 N PHE A 51 22.400 0.695 -1.834 1.00 0.00 N ATOM 764 CA PHE A 51 21.161 0.128 -2.361 1.00 0.00 C ATOM 765 C PHE A 51 21.324 -0.179 -3.848 1.00 0.00 C ATOM 766 O PHE A 51 20.819 -1.195 -4.324 1.00 0.00 O ATOM 767 CB PHE A 51 20.010 1.117 -2.174 1.00 0.00 C ATOM 768 CG PHE A 51 18.632 0.494 -2.194 1.00 0.00 C ATOM 769 CD1 PHE A 51 17.996 0.208 -3.415 1.00 0.00 C ATOM 770 CD2 PHE A 51 17.951 0.280 -0.983 1.00 0.00 C ATOM 771 CE1 PHE A 51 16.666 -0.242 -3.423 1.00 0.00 C ATOM 772 CE2 PHE A 51 16.620 -0.170 -0.993 1.00 0.00 C ATOM 773 CZ PHE A 51 15.977 -0.418 -2.219 1.00 0.00 C ATOM 0 H PHE A 51 22.309 1.669 -1.545 1.00 0.00 H new ATOM 0 HA PHE A 51 20.938 -0.792 -1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.145 1.636 -1.225 1.00 0.00 H new ATOM 0 HB3 PHE A 51 20.065 1.870 -2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 51 18.530 0.334 -4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 51 18.452 0.462 -0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.174 -0.453 -4.361 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.093 -0.325 -0.063 1.00 0.00 H new ATOM 0 HZ PHE A 51 14.948 -0.745 -2.231 1.00 0.00 H new ATOM 783 N ILE A 52 22.061 0.665 -4.579 1.00 0.00 N ATOM 784 CA ILE A 52 22.333 0.458 -5.999 1.00 0.00 C ATOM 785 C ILE A 52 23.071 -0.881 -6.135 1.00 0.00 C ATOM 786 O ILE A 52 22.803 -1.669 -7.041 1.00 0.00 O ATOM 787 CB ILE A 52 23.155 1.620 -6.610 1.00 0.00 C ATOM 788 CG1 ILE A 52 22.796 3.034 -6.101 1.00 0.00 C ATOM 789 CG2 ILE A 52 22.984 1.605 -8.137 1.00 0.00 C ATOM 790 CD1 ILE A 52 21.337 3.461 -6.190 1.00 0.00 C ATOM 0 H ILE A 52 22.485 1.511 -4.198 1.00 0.00 H new ATOM 0 HA ILE A 52 21.396 0.436 -6.555 1.00 0.00 H new ATOM 0 HB ILE A 52 24.182 1.438 -6.293 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.105 3.105 -5.058 1.00 0.00 H new ATOM 0 HG13 ILE A 52 23.393 3.755 -6.660 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.560 2.420 -8.576 1.00 0.00 H new ATOM 0 HG22 ILE A 52 23.341 0.654 -8.534 1.00 0.00 H new ATOM 0 HG23 ILE A 52 21.930 1.730 -8.386 1.00 0.00 H new ATOM 0 HD11 ILE A 52 21.229 4.473 -5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 52 21.014 3.438 -7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 52 20.722 2.778 -5.604 1.00 0.00 H new ATOM 802 N GLN A 53 23.982 -1.150 -5.201 1.00 0.00 N ATOM 803 CA GLN A 53 24.734 -2.385 -5.078 1.00 0.00 C ATOM 804 C GLN A 53 23.890 -3.562 -4.571 1.00 0.00 C ATOM 805 O GLN A 53 24.304 -4.704 -4.764 1.00 0.00 O ATOM 806 CB GLN A 53 26.017 -2.130 -4.278 1.00 0.00 C ATOM 807 CG GLN A 53 27.127 -1.523 -5.147 1.00 0.00 C ATOM 808 CD GLN A 53 27.798 -2.632 -5.954 1.00 0.00 C ATOM 809 OE1 GLN A 53 28.676 -3.330 -5.449 1.00 0.00 O ATOM 810 NE2 GLN A 53 27.364 -2.898 -7.175 1.00 0.00 N ATOM 0 H GLN A 53 24.223 -0.474 -4.476 1.00 0.00 H new ATOM 0 HA GLN A 53 25.034 -2.710 -6.074 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.799 -1.458 -3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.367 -3.068 -3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 53 26.710 -0.771 -5.817 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.862 -1.019 -4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 53 26.636 -2.320 -7.595 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.757 -3.681 -7.697 1.00 0.00 H new ATOM 819 N GLN A 54 22.774 -3.350 -3.862 1.00 0.00 N ATOM 820 CA GLN A 54 21.901 -4.451 -3.454 1.00 0.00 C ATOM 821 C GLN A 54 21.111 -4.969 -4.660 1.00 0.00 C ATOM 822 O GLN A 54 20.672 -6.123 -4.660 1.00 0.00 O ATOM 823 CB GLN A 54 20.900 -4.028 -2.363 1.00 0.00 C ATOM 824 CG GLN A 54 21.508 -3.624 -1.017 1.00 0.00 C ATOM 825 CD GLN A 54 22.569 -4.602 -0.525 1.00 0.00 C ATOM 826 OE1 GLN A 54 22.355 -5.812 -0.527 1.00 0.00 O ATOM 827 NE2 GLN A 54 23.724 -4.102 -0.122 1.00 0.00 N ATOM 0 H GLN A 54 22.457 -2.428 -3.561 1.00 0.00 H new ATOM 0 HA GLN A 54 22.545 -5.231 -3.049 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.313 -3.191 -2.741 1.00 0.00 H new ATOM 0 HB3 GLN A 54 20.207 -4.852 -2.194 1.00 0.00 H new ATOM 0 HG2 GLN A 54 21.950 -2.632 -1.108 1.00 0.00 H new ATOM 0 HG3 GLN A 54 20.715 -3.553 -0.273 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.874 -3.093 -0.131 1.00 0.00 H new ATOM 0 HE22 GLN A 54 24.466 -4.725 0.198 1.00 0.00 H new ATOM 836 N CYS A 55 20.897 -4.137 -5.687 1.00 0.00 N ATOM 837 CA CYS A 55 20.233 -4.543 -6.914 1.00 0.00 C ATOM 838 C CYS A 55 21.161 -5.461 -7.716 1.00 0.00 C ATOM 839 O CYS A 55 22.378 -5.456 -7.521 1.00 0.00 O ATOM 840 CB CYS A 55 19.783 -3.298 -7.673 1.00 0.00 C ATOM 841 SG CYS A 55 18.657 -2.373 -6.581 1.00 0.00 S ATOM 0 H CYS A 55 21.185 -3.158 -5.681 1.00 0.00 H new ATOM 0 HA CYS A 55 19.334 -5.124 -6.707 1.00 0.00 H new ATOM 0 HB2 CYS A 55 20.641 -2.685 -7.948 1.00 0.00 H new ATOM 0 HB3 CYS A 55 19.279 -3.574 -8.599 1.00 0.00 H new ATOM 0 HG CYS A 55 19.340 -1.814 -5.627 1.00 0.00 H new ATOM 847 N THR A 56 20.598 -6.249 -8.623 1.00 0.00 N ATOM 848 CA THR A 56 21.307 -7.251 -9.406 1.00 0.00 C ATOM 849 C THR A 56 20.968 -7.182 -10.897 1.00 0.00 C ATOM 850 O THR A 56 20.309 -6.253 -11.369 1.00 0.00 O ATOM 851 CB THR A 56 20.907 -8.609 -8.806 1.00 0.00 C ATOM 852 OG1 THR A 56 19.506 -8.652 -8.623 1.00 0.00 O ATOM 853 CG2 THR A 56 21.582 -8.833 -7.457 1.00 0.00 C ATOM 0 H THR A 56 19.602 -6.206 -8.840 1.00 0.00 H new ATOM 0 HA THR A 56 22.383 -7.084 -9.355 1.00 0.00 H new ATOM 0 HB THR A 56 21.226 -9.390 -9.496 1.00 0.00 H new ATOM 0 HG1 THR A 56 19.110 -9.267 -9.275 1.00 0.00 H new ATOM 0 HG21 THR A 56 21.281 -9.801 -7.056 1.00 0.00 H new ATOM 0 HG22 THR A 56 22.664 -8.813 -7.584 1.00 0.00 H new ATOM 0 HG23 THR A 56 21.284 -8.045 -6.766 1.00 0.00 H new ATOM 861 N ASP A 57 21.495 -8.150 -11.652 1.00 0.00 N ATOM 862 CA ASP A 57 21.235 -8.346 -13.066 1.00 0.00 C ATOM 863 C ASP A 57 19.855 -8.996 -13.220 1.00 0.00 C ATOM 864 O ASP A 57 18.927 -8.344 -13.710 1.00 0.00 O ATOM 865 CB ASP A 57 22.354 -9.162 -13.757 1.00 0.00 C ATOM 866 CG ASP A 57 22.752 -10.442 -13.022 1.00 0.00 C ATOM 867 OD1 ASP A 57 23.488 -10.340 -12.015 1.00 0.00 O ATOM 868 OD2 ASP A 57 22.255 -11.543 -13.337 1.00 0.00 O ATOM 0 H ASP A 57 22.140 -8.843 -11.271 1.00 0.00 H new ATOM 0 HA ASP A 57 21.233 -7.381 -13.572 1.00 0.00 H new ATOM 0 HB2 ASP A 57 22.027 -9.423 -14.764 1.00 0.00 H new ATOM 0 HB3 ASP A 57 23.235 -8.529 -13.862 1.00 0.00 H new ATOM 873 N ASP A 58 19.701 -10.250 -12.780 1.00 0.00 N ATOM 874 CA ASP A 58 18.494 -11.049 -12.934 1.00 0.00 C ATOM 875 C ASP A 58 17.620 -11.286 -11.698 1.00 0.00 C ATOM 876 O ASP A 58 16.416 -11.428 -11.878 1.00 0.00 O ATOM 877 CB ASP A 58 18.915 -12.409 -13.516 1.00 0.00 C ATOM 878 CG ASP A 58 17.768 -13.418 -13.614 1.00 0.00 C ATOM 879 OD1 ASP A 58 17.076 -13.443 -14.654 1.00 0.00 O ATOM 880 OD2 ASP A 58 17.636 -14.268 -12.694 1.00 0.00 O ATOM 0 H ASP A 58 20.444 -10.748 -12.290 1.00 0.00 H new ATOM 0 HA ASP A 58 17.849 -10.455 -13.581 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.337 -12.254 -14.509 1.00 0.00 H new ATOM 0 HB3 ASP A 58 19.706 -12.831 -12.896 1.00 0.00 H new ATOM 885 N VAL A 59 18.131 -11.294 -10.456 1.00 0.00 N ATOM 886 CA VAL A 59 17.271 -11.630 -9.322 1.00 0.00 C ATOM 887 C VAL A 59 16.155 -10.604 -9.077 1.00 0.00 C ATOM 888 O VAL A 59 16.152 -9.487 -9.612 1.00 0.00 O ATOM 889 CB VAL A 59 18.084 -11.890 -8.024 1.00 0.00 C ATOM 890 CG1 VAL A 59 19.408 -12.634 -8.228 1.00 0.00 C ATOM 891 CG2 VAL A 59 18.235 -10.786 -6.962 1.00 0.00 C ATOM 0 H VAL A 59 19.100 -11.079 -10.221 1.00 0.00 H new ATOM 0 HA VAL A 59 16.780 -12.562 -9.602 1.00 0.00 H new ATOM 0 HB VAL A 59 17.354 -12.554 -7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 59 19.902 -12.768 -7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 59 19.212 -13.609 -8.674 1.00 0.00 H new ATOM 0 HG13 VAL A 59 20.053 -12.055 -8.889 1.00 0.00 H new ATOM 0 HG21 VAL A 59 18.835 -11.159 -6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.726 -9.920 -7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 59 17.250 -10.496 -6.596 1.00 0.00 H new ATOM 901 N ARG A 60 15.196 -10.989 -8.224 1.00 0.00 N ATOM 902 CA ARG A 60 14.113 -10.119 -7.787 1.00 0.00 C ATOM 903 C ARG A 60 14.224 -10.041 -6.268 1.00 0.00 C ATOM 904 O ARG A 60 14.288 -11.076 -5.599 1.00 0.00 O ATOM 905 CB ARG A 60 12.719 -10.438 -8.352 1.00 0.00 C ATOM 906 CG ARG A 60 11.900 -11.599 -7.773 1.00 0.00 C ATOM 907 CD ARG A 60 12.126 -12.939 -8.482 1.00 0.00 C ATOM 908 NE ARG A 60 13.138 -13.758 -7.815 1.00 0.00 N ATOM 909 CZ ARG A 60 12.958 -14.498 -6.720 1.00 0.00 C ATOM 910 NH1 ARG A 60 11.774 -14.514 -6.108 1.00 0.00 N ATOM 911 NH2 ARG A 60 13.973 -15.216 -6.253 1.00 0.00 N ATOM 0 H ARG A 60 15.156 -11.924 -7.818 1.00 0.00 H new ATOM 0 HA ARG A 60 14.232 -9.126 -8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.116 -9.536 -8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.838 -10.627 -9.419 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.147 -11.713 -6.717 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.841 -11.345 -7.827 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.186 -13.489 -8.522 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.432 -12.755 -9.512 1.00 0.00 H new ATOM 0 HE ARG A 60 14.071 -13.764 -8.227 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.002 -13.959 -6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.640 -15.081 -5.271 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.874 -15.196 -6.731 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.852 -15.787 -5.417 1.00 0.00 H new ATOM 925 N LEU A 61 14.315 -8.821 -5.748 1.00 0.00 N ATOM 926 CA LEU A 61 14.516 -8.498 -4.339 1.00 0.00 C ATOM 927 C LEU A 61 13.456 -7.492 -3.934 1.00 0.00 C ATOM 928 O LEU A 61 12.912 -6.793 -4.785 1.00 0.00 O ATOM 929 CB LEU A 61 15.937 -7.923 -4.164 1.00 0.00 C ATOM 930 CG LEU A 61 16.321 -7.368 -2.776 1.00 0.00 C ATOM 931 CD1 LEU A 61 16.317 -8.493 -1.738 1.00 0.00 C ATOM 932 CD2 LEU A 61 17.711 -6.720 -2.797 1.00 0.00 C ATOM 0 H LEU A 61 14.247 -7.986 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 61 14.425 -9.380 -3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.650 -8.707 -4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.067 -7.123 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 61 15.583 -6.611 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.589 -8.089 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.322 -8.934 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.037 -9.258 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.950 -6.340 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.454 -7.462 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.718 -5.897 -3.512 1.00 0.00 H new ATOM 944 N PHE A 62 13.186 -7.387 -2.642 1.00 0.00 N ATOM 945 CA PHE A 62 12.256 -6.393 -2.115 1.00 0.00 C ATOM 946 C PHE A 62 12.982 -5.554 -1.068 1.00 0.00 C ATOM 947 O PHE A 62 13.950 -6.031 -0.470 1.00 0.00 O ATOM 948 CB PHE A 62 11.028 -7.076 -1.515 1.00 0.00 C ATOM 949 CG PHE A 62 10.001 -7.612 -2.490 1.00 0.00 C ATOM 950 CD1 PHE A 62 10.247 -8.769 -3.250 1.00 0.00 C ATOM 951 CD2 PHE A 62 8.740 -6.999 -2.552 1.00 0.00 C ATOM 952 CE1 PHE A 62 9.210 -9.346 -4.003 1.00 0.00 C ATOM 953 CE2 PHE A 62 7.693 -7.592 -3.273 1.00 0.00 C ATOM 954 CZ PHE A 62 7.917 -8.786 -3.974 1.00 0.00 C ATOM 0 H PHE A 62 13.603 -7.985 -1.929 1.00 0.00 H new ATOM 0 HA PHE A 62 11.909 -5.745 -2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.369 -7.903 -0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.531 -6.364 -0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.231 -9.214 -3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.574 -6.063 -2.040 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.405 -10.221 -4.606 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.717 -7.130 -3.288 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.103 -9.274 -4.489 1.00 0.00 H new ATOM 964 N ALA A 63 12.500 -4.341 -0.789 1.00 0.00 N ATOM 965 CA ALA A 63 13.088 -3.478 0.213 1.00 0.00 C ATOM 966 C ALA A 63 12.037 -2.628 0.892 1.00 0.00 C ATOM 967 O ALA A 63 11.120 -2.141 0.247 1.00 0.00 O ATOM 968 CB ALA A 63 14.134 -2.597 -0.457 1.00 0.00 C ATOM 0 H ALA A 63 11.689 -3.937 -1.258 1.00 0.00 H new ATOM 0 HA ALA A 63 13.555 -4.091 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.587 -1.940 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.905 -3.224 -0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.660 -1.995 -1.233 1.00 0.00 H new ATOM 974 N PHE A 64 12.180 -2.424 2.192 1.00 0.00 N ATOM 975 CA PHE A 64 11.308 -1.571 2.981 1.00 0.00 C ATOM 976 C PHE A 64 12.127 -0.326 3.275 1.00 0.00 C ATOM 977 O PHE A 64 13.212 -0.443 3.849 1.00 0.00 O ATOM 978 CB PHE A 64 10.898 -2.361 4.226 1.00 0.00 C ATOM 979 CG PHE A 64 10.098 -1.611 5.268 1.00 0.00 C ATOM 980 CD1 PHE A 64 8.876 -1.005 4.923 1.00 0.00 C ATOM 981 CD2 PHE A 64 10.547 -1.571 6.602 1.00 0.00 C ATOM 982 CE1 PHE A 64 8.102 -0.372 5.910 1.00 0.00 C ATOM 983 CE2 PHE A 64 9.783 -0.912 7.581 1.00 0.00 C ATOM 984 CZ PHE A 64 8.564 -0.316 7.232 1.00 0.00 C ATOM 0 H PHE A 64 12.923 -2.857 2.740 1.00 0.00 H new ATOM 0 HA PHE A 64 10.383 -1.270 2.489 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.316 -3.225 3.905 1.00 0.00 H new ATOM 0 HB3 PHE A 64 11.802 -2.744 4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.533 -1.026 3.899 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.478 -2.046 6.873 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.152 0.071 5.650 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.135 -0.865 8.601 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.978 0.189 7.985 1.00 0.00 H new ATOM 994 N VAL A 65 11.622 0.853 2.904 1.00 0.00 N ATOM 995 CA VAL A 65 12.377 2.089 3.051 1.00 0.00 C ATOM 996 C VAL A 65 11.524 3.220 3.622 1.00 0.00 C ATOM 997 O VAL A 65 10.354 3.396 3.268 1.00 0.00 O ATOM 998 CB VAL A 65 12.971 2.477 1.675 1.00 0.00 C ATOM 999 CG1 VAL A 65 13.926 3.668 1.812 1.00 0.00 C ATOM 1000 CG2 VAL A 65 13.738 1.309 1.026 1.00 0.00 C ATOM 0 H VAL A 65 10.693 0.973 2.500 1.00 0.00 H new ATOM 0 HA VAL A 65 13.183 1.924 3.767 1.00 0.00 H new ATOM 0 HB VAL A 65 12.127 2.742 1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 65 14.332 3.924 0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 65 13.385 4.524 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 65 14.742 3.405 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.137 1.626 0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.558 1.006 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.062 0.467 0.879 1.00 0.00 H new ATOM 1010 N ARG A 66 12.133 3.970 4.540 1.00 0.00 N ATOM 1011 CA ARG A 66 11.638 5.165 5.202 1.00 0.00 C ATOM 1012 C ARG A 66 11.821 6.324 4.232 1.00 0.00 C ATOM 1013 O ARG A 66 12.950 6.634 3.868 1.00 0.00 O ATOM 1014 CB ARG A 66 12.463 5.334 6.487 1.00 0.00 C ATOM 1015 CG ARG A 66 12.497 6.739 7.094 1.00 0.00 C ATOM 1016 CD ARG A 66 13.240 6.709 8.436 1.00 0.00 C ATOM 1017 NE ARG A 66 12.369 6.206 9.505 1.00 0.00 N ATOM 1018 CZ ARG A 66 11.431 6.911 10.137 1.00 0.00 C ATOM 1019 NH1 ARG A 66 11.240 8.197 9.855 1.00 0.00 N ATOM 1020 NH2 ARG A 66 10.664 6.318 11.028 1.00 0.00 N ATOM 0 H ARG A 66 13.070 3.730 4.865 1.00 0.00 H new ATOM 0 HA ARG A 66 10.583 5.113 5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.071 4.647 7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.488 5.027 6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.991 7.429 6.410 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.481 7.107 7.239 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.124 6.076 8.353 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.588 7.711 8.686 1.00 0.00 H new ATOM 0 HE ARG A 66 12.492 5.234 9.788 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.815 8.655 9.148 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.519 8.725 10.346 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.790 5.326 11.230 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.944 6.850 11.516 1.00 0.00 H new ATOM 1034 N PHE A 67 10.729 6.959 3.817 1.00 0.00 N ATOM 1035 CA PHE A 67 10.733 8.091 2.899 1.00 0.00 C ATOM 1036 C PHE A 67 9.747 9.108 3.480 1.00 0.00 C ATOM 1037 O PHE A 67 8.970 8.773 4.370 1.00 0.00 O ATOM 1038 CB PHE A 67 10.345 7.542 1.514 1.00 0.00 C ATOM 1039 CG PHE A 67 10.750 8.373 0.320 1.00 0.00 C ATOM 1040 CD1 PHE A 67 10.007 9.501 -0.062 1.00 0.00 C ATOM 1041 CD2 PHE A 67 11.839 7.959 -0.465 1.00 0.00 C ATOM 1042 CE1 PHE A 67 10.382 10.244 -1.193 1.00 0.00 C ATOM 1043 CE2 PHE A 67 12.196 8.676 -1.614 1.00 0.00 C ATOM 1044 CZ PHE A 67 11.478 9.828 -1.967 1.00 0.00 C ATOM 0 H PHE A 67 9.792 6.692 4.119 1.00 0.00 H new ATOM 0 HA PHE A 67 11.694 8.592 2.782 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.786 6.551 1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.263 7.414 1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.144 9.798 0.516 1.00 0.00 H new ATOM 0 HD2 PHE A 67 12.404 7.083 -0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.830 11.131 -1.467 1.00 0.00 H new ATOM 0 HE2 PHE A 67 13.021 8.343 -2.226 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.769 10.397 -2.837 1.00 0.00 H new ATOM 1054 N THR A 68 9.726 10.340 2.988 1.00 0.00 N ATOM 1055 CA THR A 68 8.779 11.373 3.397 1.00 0.00 C ATOM 1056 C THR A 68 8.142 11.950 2.133 1.00 0.00 C ATOM 1057 O THR A 68 8.843 12.247 1.164 1.00 0.00 O ATOM 1058 CB THR A 68 9.520 12.422 4.246 1.00 0.00 C ATOM 1059 OG1 THR A 68 9.746 11.912 5.547 1.00 0.00 O ATOM 1060 CG2 THR A 68 8.764 13.741 4.371 1.00 0.00 C ATOM 0 H THR A 68 10.383 10.658 2.275 1.00 0.00 H new ATOM 0 HA THR A 68 7.977 10.978 4.021 1.00 0.00 H new ATOM 0 HB THR A 68 10.458 12.625 3.730 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.941 12.036 6.091 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.342 14.435 4.982 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.613 14.169 3.380 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.797 13.563 4.841 1.00 0.00 H new ATOM 1068 N THR A 69 6.809 12.046 2.092 1.00 0.00 N ATOM 1069 CA THR A 69 6.123 12.673 0.959 1.00 0.00 C ATOM 1070 C THR A 69 4.768 13.196 1.436 1.00 0.00 C ATOM 1071 O THR A 69 3.944 12.411 1.908 1.00 0.00 O ATOM 1072 CB THR A 69 5.919 11.700 -0.219 1.00 0.00 C ATOM 1073 OG1 THR A 69 7.025 10.841 -0.417 1.00 0.00 O ATOM 1074 CG2 THR A 69 5.741 12.485 -1.523 1.00 0.00 C ATOM 0 H THR A 69 6.188 11.700 2.824 1.00 0.00 H new ATOM 0 HA THR A 69 6.749 13.488 0.594 1.00 0.00 H new ATOM 0 HB THR A 69 5.038 11.108 0.031 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.843 11.375 -0.501 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.598 11.789 -2.350 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.870 13.135 -1.440 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.629 13.090 -1.708 1.00 0.00 H new ATOM 1082 N GLY A 70 4.534 14.499 1.288 1.00 0.00 N ATOM 1083 CA GLY A 70 3.340 15.174 1.766 1.00 0.00 C ATOM 1084 C GLY A 70 3.477 15.315 3.262 1.00 0.00 C ATOM 1085 O GLY A 70 3.531 14.340 4.007 1.00 0.00 O ATOM 0 H GLY A 70 5.189 15.125 0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.236 16.152 1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.447 14.602 1.513 1.00 0.00 H new ATOM 1089 N ASP A 71 3.425 16.555 3.694 1.00 0.00 N ATOM 1090 CA ASP A 71 3.636 16.944 5.080 1.00 0.00 C ATOM 1091 C ASP A 71 2.403 17.609 5.682 1.00 0.00 C ATOM 1092 O ASP A 71 1.340 17.657 5.053 1.00 0.00 O ATOM 1093 CB ASP A 71 4.989 17.655 5.221 1.00 0.00 C ATOM 1094 CG ASP A 71 6.105 16.605 5.095 1.00 0.00 C ATOM 1095 OD1 ASP A 71 6.549 16.348 3.956 1.00 0.00 O ATOM 1096 OD2 ASP A 71 6.442 15.995 6.135 1.00 0.00 O ATOM 0 H ASP A 71 3.230 17.345 3.079 1.00 0.00 H new ATOM 0 HA ASP A 71 3.736 16.070 5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.098 18.419 4.451 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.052 18.162 6.184 1.00 0.00 H new ATOM 1101 N ALA A 72 2.476 17.933 6.968 1.00 0.00 N ATOM 1102 CA ALA A 72 1.429 18.490 7.812 1.00 0.00 C ATOM 1103 C ALA A 72 2.099 19.462 8.788 1.00 0.00 C ATOM 1104 O ALA A 72 3.282 19.759 8.633 1.00 0.00 O ATOM 1105 CB ALA A 72 0.687 17.350 8.530 1.00 0.00 C ATOM 0 H ALA A 72 3.343 17.801 7.489 1.00 0.00 H new ATOM 0 HA ALA A 72 0.682 19.032 7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.097 17.767 9.162 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.241 16.684 7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.390 16.790 9.146 1.00 0.00 H new ATOM 1111 N MET A 73 1.356 19.998 9.767 1.00 0.00 N ATOM 1112 CA MET A 73 1.895 20.871 10.824 1.00 0.00 C ATOM 1113 C MET A 73 3.078 20.228 11.591 1.00 0.00 C ATOM 1114 O MET A 73 3.654 20.827 12.494 1.00 0.00 O ATOM 1115 CB MET A 73 0.788 21.265 11.817 1.00 0.00 C ATOM 1116 CG MET A 73 -0.421 21.938 11.155 1.00 0.00 C ATOM 1117 SD MET A 73 -1.664 22.594 12.304 1.00 0.00 S ATOM 1118 CE MET A 73 -2.155 21.109 13.223 1.00 0.00 C ATOM 0 H MET A 73 0.352 19.837 9.850 1.00 0.00 H new ATOM 0 HA MET A 73 2.276 21.761 10.323 1.00 0.00 H new ATOM 0 HB2 MET A 73 0.452 20.373 12.346 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.205 21.940 12.564 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.064 22.754 10.527 1.00 0.00 H new ATOM 0 HG3 MET A 73 -0.903 21.216 10.496 1.00 0.00 H new ATOM 0 HE1 MET A 73 -2.998 21.345 13.872 1.00 0.00 H new ATOM 0 HE2 MET A 73 -2.445 20.326 12.522 1.00 0.00 H new ATOM 0 HE3 MET A 73 -1.317 20.762 13.828 1.00 0.00 H new ATOM 1128 N SER A 74 3.391 18.967 11.314 1.00 0.00 N ATOM 1129 CA SER A 74 4.482 18.154 11.793 1.00 0.00 C ATOM 1130 C SER A 74 4.821 17.255 10.595 1.00 0.00 C ATOM 1131 O SER A 74 3.942 16.968 9.770 1.00 0.00 O ATOM 1132 CB SER A 74 4.035 17.393 13.038 1.00 0.00 C ATOM 1133 OG SER A 74 3.774 18.321 14.075 1.00 0.00 O ATOM 0 H SER A 74 2.808 18.434 10.668 1.00 0.00 H new ATOM 0 HA SER A 74 5.365 18.709 12.109 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.141 16.809 12.822 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.808 16.690 13.348 1.00 0.00 H new ATOM 0 HG SER A 74 3.849 19.233 13.724 1.00 0.00 H new ATOM 1139 N LYS A 75 6.084 16.842 10.463 1.00 0.00 N ATOM 1140 CA LYS A 75 6.501 16.055 9.302 1.00 0.00 C ATOM 1141 C LYS A 75 5.803 14.698 9.261 1.00 0.00 C ATOM 1142 O LYS A 75 5.379 14.190 10.301 1.00 0.00 O ATOM 1143 CB LYS A 75 8.016 15.804 9.306 1.00 0.00 C ATOM 1144 CG LYS A 75 8.873 17.075 9.208 1.00 0.00 C ATOM 1145 CD LYS A 75 10.352 16.734 8.951 1.00 0.00 C ATOM 1146 CE LYS A 75 10.990 15.973 10.127 1.00 0.00 C ATOM 1147 NZ LYS A 75 12.326 15.427 9.790 1.00 0.00 N ATOM 0 H LYS A 75 6.826 17.036 11.136 1.00 0.00 H new ATOM 0 HA LYS A 75 6.223 16.641 8.426 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.281 15.272 10.220 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.265 15.148 8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.498 17.708 8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.785 17.648 10.131 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.432 16.132 8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.909 17.654 8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.080 16.642 10.983 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.333 15.157 10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.713 14.924 10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.240 14.767 8.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.964 16.206 9.529 1.00 0.00 H new ATOM 1161 N ARG A 76 5.740 14.081 8.082 1.00 0.00 N ATOM 1162 CA ARG A 76 5.197 12.738 7.894 1.00 0.00 C ATOM 1163 C ARG A 76 6.326 11.841 7.398 1.00 0.00 C ATOM 1164 O ARG A 76 7.411 12.297 7.033 1.00 0.00 O ATOM 1165 CB ARG A 76 4.027 12.713 6.897 1.00 0.00 C ATOM 1166 CG ARG A 76 2.859 13.661 7.208 1.00 0.00 C ATOM 1167 CD ARG A 76 1.683 13.359 6.261 1.00 0.00 C ATOM 1168 NE ARG A 76 0.989 14.569 5.784 1.00 0.00 N ATOM 1169 CZ ARG A 76 -0.233 14.619 5.241 1.00 0.00 C ATOM 1170 NH1 ARG A 76 -0.995 13.528 5.205 1.00 0.00 N ATOM 1171 NH2 ARG A 76 -0.682 15.763 4.738 1.00 0.00 N ATOM 0 H ARG A 76 6.071 14.508 7.217 1.00 0.00 H new ATOM 0 HA ARG A 76 4.802 12.383 8.846 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.413 12.956 5.907 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.640 11.695 6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.545 13.540 8.245 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.177 14.697 7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.053 12.799 5.402 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.967 12.718 6.776 1.00 0.00 H new ATOM 0 HE ARG A 76 1.489 15.453 5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.648 12.650 5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.926 13.570 4.790 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.096 16.598 4.767 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.613 15.807 4.323 1.00 0.00 H new ATOM 1185 N SER A 77 6.060 10.542 7.352 1.00 0.00 N ATOM 1186 CA SER A 77 6.973 9.547 6.831 1.00 0.00 C ATOM 1187 C SER A 77 6.090 8.494 6.174 1.00 0.00 C ATOM 1188 O SER A 77 5.134 7.999 6.786 1.00 0.00 O ATOM 1189 CB SER A 77 7.850 9.021 7.981 1.00 0.00 C ATOM 1190 OG SER A 77 8.806 8.076 7.559 1.00 0.00 O ATOM 0 H SER A 77 5.181 10.147 7.685 1.00 0.00 H new ATOM 0 HA SER A 77 7.676 9.926 6.089 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.361 9.860 8.453 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.211 8.569 8.740 1.00 0.00 H new ATOM 0 HG SER A 77 8.957 8.171 6.595 1.00 0.00 H new ATOM 1196 N LYS A 78 6.347 8.229 4.895 1.00 0.00 N ATOM 1197 CA LYS A 78 5.634 7.277 4.068 1.00 0.00 C ATOM 1198 C LYS A 78 6.610 6.210 3.671 1.00 0.00 C ATOM 1199 O LYS A 78 7.596 6.477 2.994 1.00 0.00 O ATOM 1200 CB LYS A 78 5.058 7.977 2.834 1.00 0.00 C ATOM 1201 CG LYS A 78 3.755 8.650 3.245 1.00 0.00 C ATOM 1202 CD LYS A 78 3.074 9.318 2.049 1.00 0.00 C ATOM 1203 CE LYS A 78 1.927 10.200 2.539 1.00 0.00 C ATOM 1204 NZ LYS A 78 1.001 10.557 1.451 1.00 0.00 N ATOM 0 H LYS A 78 7.097 8.700 4.389 1.00 0.00 H new ATOM 0 HA LYS A 78 4.798 6.838 4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.763 8.714 2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.881 7.257 2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.084 7.911 3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.955 9.395 4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.796 9.918 1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.696 8.560 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.380 9.679 3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.333 11.109 2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.238 11.156 1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.517 11.077 0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.593 9.691 1.044 1.00 0.00 H new ATOM 1218 N PHE A 79 6.251 4.982 4.002 1.00 0.00 N ATOM 1219 CA PHE A 79 7.134 3.864 3.707 1.00 0.00 C ATOM 1220 C PHE A 79 6.861 3.390 2.297 1.00 0.00 C ATOM 1221 O PHE A 79 5.701 3.201 1.917 1.00 0.00 O ATOM 1222 CB PHE A 79 7.030 2.731 4.724 1.00 0.00 C ATOM 1223 CG PHE A 79 7.392 3.191 6.115 1.00 0.00 C ATOM 1224 CD1 PHE A 79 6.401 3.710 6.965 1.00 0.00 C ATOM 1225 CD2 PHE A 79 8.741 3.237 6.501 1.00 0.00 C ATOM 1226 CE1 PHE A 79 6.765 4.327 8.171 1.00 0.00 C ATOM 1227 CE2 PHE A 79 9.101 3.843 7.713 1.00 0.00 C ATOM 1228 CZ PHE A 79 8.117 4.393 8.553 1.00 0.00 C ATOM 0 H PHE A 79 5.376 4.735 4.464 1.00 0.00 H new ATOM 0 HA PHE A 79 8.165 4.210 3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.014 2.336 4.725 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.689 1.915 4.428 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.359 3.634 6.690 1.00 0.00 H new ATOM 0 HD2 PHE A 79 9.500 2.806 5.865 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.004 4.753 8.809 1.00 0.00 H new ATOM 0 HE2 PHE A 79 10.140 3.888 8.003 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.397 4.863 9.484 1.00 0.00 H new ATOM 1238 N ALA A 80 7.934 3.223 1.534 1.00 0.00 N ATOM 1239 CA ALA A 80 7.914 2.702 0.188 1.00 0.00 C ATOM 1240 C ALA A 80 8.449 1.287 0.246 1.00 0.00 C ATOM 1241 O ALA A 80 9.525 1.044 0.795 1.00 0.00 O ATOM 1242 CB ALA A 80 8.780 3.576 -0.733 1.00 0.00 C ATOM 0 H ALA A 80 8.873 3.458 1.855 1.00 0.00 H new ATOM 0 HA ALA A 80 6.902 2.708 -0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.757 3.172 -1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.391 4.594 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.807 3.582 -0.369 1.00 0.00 H new ATOM 1248 N LEU A 81 7.629 0.347 -0.215 1.00 0.00 N ATOM 1249 CA LEU A 81 8.046 -1.035 -0.322 1.00 0.00 C ATOM 1250 C LEU A 81 8.493 -1.092 -1.771 1.00 0.00 C ATOM 1251 O LEU A 81 7.689 -0.918 -2.681 1.00 0.00 O ATOM 1252 CB LEU A 81 6.893 -1.986 0.004 1.00 0.00 C ATOM 1253 CG LEU A 81 7.148 -3.488 -0.233 1.00 0.00 C ATOM 1254 CD1 LEU A 81 6.936 -3.908 -1.687 1.00 0.00 C ATOM 1255 CD2 LEU A 81 8.510 -3.989 0.250 1.00 0.00 C ATOM 0 H LEU A 81 6.672 0.524 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 81 8.826 -1.343 0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.623 -1.847 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.029 -1.689 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 81 6.392 -3.967 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.131 -4.976 -1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.908 -3.697 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.618 -3.351 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.600 -5.055 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.301 -3.449 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.600 -3.820 1.323 1.00 0.00 H new ATOM 1267 N ILE A 82 9.772 -1.282 -1.996 1.00 0.00 N ATOM 1268 CA ILE A 82 10.359 -1.297 -3.315 1.00 0.00 C ATOM 1269 C ILE A 82 10.475 -2.751 -3.713 1.00 0.00 C ATOM 1270 O ILE A 82 10.681 -3.629 -2.871 1.00 0.00 O ATOM 1271 CB ILE A 82 11.722 -0.566 -3.291 1.00 0.00 C ATOM 1272 CG1 ILE A 82 11.501 0.963 -3.221 1.00 0.00 C ATOM 1273 CG2 ILE A 82 12.633 -0.925 -4.475 1.00 0.00 C ATOM 1274 CD1 ILE A 82 11.894 1.484 -1.842 1.00 0.00 C ATOM 0 H ILE A 82 10.449 -1.434 -1.249 1.00 0.00 H new ATOM 0 HA ILE A 82 9.751 -0.769 -4.049 1.00 0.00 H new ATOM 0 HB ILE A 82 12.243 -0.907 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.094 1.460 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.456 1.197 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 82 13.571 -0.375 -4.392 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.838 -1.996 -4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 82 12.138 -0.659 -5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.735 2.562 -1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.282 0.998 -1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 82 12.945 1.265 -1.656 1.00 0.00 H new ATOM 1286 N THR A 83 10.249 -3.013 -4.990 1.00 0.00 N ATOM 1287 CA THR A 83 10.420 -4.330 -5.557 1.00 0.00 C ATOM 1288 C THR A 83 11.355 -4.135 -6.741 1.00 0.00 C ATOM 1289 O THR A 83 11.069 -3.330 -7.627 1.00 0.00 O ATOM 1290 CB THR A 83 9.072 -4.941 -5.942 1.00 0.00 C ATOM 1291 OG1 THR A 83 8.117 -4.661 -4.937 1.00 0.00 O ATOM 1292 CG2 THR A 83 9.217 -6.453 -6.086 1.00 0.00 C ATOM 0 H THR A 83 9.940 -2.310 -5.662 1.00 0.00 H new ATOM 0 HA THR A 83 10.847 -5.041 -4.850 1.00 0.00 H new ATOM 0 HB THR A 83 8.743 -4.512 -6.889 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.062 -5.419 -4.318 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.255 -6.886 -6.360 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.950 -6.676 -6.861 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.550 -6.878 -5.139 1.00 0.00 H new ATOM 1300 N TRP A 84 12.465 -4.852 -6.738 1.00 0.00 N ATOM 1301 CA TRP A 84 13.453 -4.901 -7.790 1.00 0.00 C ATOM 1302 C TRP A 84 13.145 -6.194 -8.524 1.00 0.00 C ATOM 1303 O TRP A 84 13.027 -7.234 -7.873 1.00 0.00 O ATOM 1304 CB TRP A 84 14.867 -4.948 -7.188 1.00 0.00 C ATOM 1305 CG TRP A 84 15.912 -5.310 -8.194 1.00 0.00 C ATOM 1306 CD1 TRP A 84 16.448 -6.536 -8.391 1.00 0.00 C ATOM 1307 CD2 TRP A 84 16.404 -4.488 -9.286 1.00 0.00 C ATOM 1308 NE1 TRP A 84 17.184 -6.539 -9.559 1.00 0.00 N ATOM 1309 CE2 TRP A 84 17.110 -5.319 -10.201 1.00 0.00 C ATOM 1310 CE3 TRP A 84 16.249 -3.130 -9.626 1.00 0.00 C ATOM 1311 CZ2 TRP A 84 17.529 -4.845 -11.450 1.00 0.00 C ATOM 1312 CZ3 TRP A 84 16.699 -2.638 -10.864 1.00 0.00 C ATOM 1313 CH2 TRP A 84 17.295 -3.506 -11.797 1.00 0.00 C ATOM 0 H TRP A 84 12.711 -5.451 -5.950 1.00 0.00 H new ATOM 0 HA TRP A 84 13.419 -4.030 -8.444 1.00 0.00 H new ATOM 0 HB2 TRP A 84 15.106 -3.976 -6.756 1.00 0.00 H new ATOM 0 HB3 TRP A 84 14.887 -5.672 -6.374 1.00 0.00 H new ATOM 0 HD1 TRP A 84 16.320 -7.384 -7.734 1.00 0.00 H new ATOM 0 HE1 TRP A 84 17.714 -7.339 -9.903 1.00 0.00 H new ATOM 0 HE3 TRP A 84 15.778 -2.457 -8.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 18.029 -5.506 -12.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 16.587 -1.590 -11.099 1.00 0.00 H new ATOM 0 HH2 TRP A 84 17.571 -3.143 -12.776 1.00 0.00 H new ATOM 1324 N ILE A 85 12.990 -6.147 -9.841 1.00 0.00 N ATOM 1325 CA ILE A 85 12.773 -7.309 -10.684 1.00 0.00 C ATOM 1326 C ILE A 85 13.756 -7.129 -11.831 1.00 0.00 C ATOM 1327 O ILE A 85 13.518 -6.279 -12.685 1.00 0.00 O ATOM 1328 CB ILE A 85 11.298 -7.407 -11.146 1.00 0.00 C ATOM 1329 CG1 ILE A 85 10.330 -7.332 -9.942 1.00 0.00 C ATOM 1330 CG2 ILE A 85 11.104 -8.698 -11.965 1.00 0.00 C ATOM 1331 CD1 ILE A 85 8.890 -7.750 -10.249 1.00 0.00 C ATOM 0 H ILE A 85 13.013 -5.272 -10.365 1.00 0.00 H new ATOM 0 HA ILE A 85 12.946 -8.251 -10.164 1.00 0.00 H new ATOM 0 HB ILE A 85 11.063 -6.556 -11.785 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.715 -7.967 -9.144 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.324 -6.310 -9.562 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.066 -8.769 -12.291 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.758 -8.678 -12.837 1.00 0.00 H new ATOM 0 HG23 ILE A 85 11.350 -9.561 -11.347 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.286 -7.665 -9.346 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.480 -7.101 -11.022 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.877 -8.783 -10.598 1.00 0.00 H new ATOM 1343 N GLY A 86 14.876 -7.859 -11.825 1.00 0.00 N ATOM 1344 CA GLY A 86 15.838 -7.808 -12.916 1.00 0.00 C ATOM 1345 C GLY A 86 15.123 -7.961 -14.256 1.00 0.00 C ATOM 1346 O GLY A 86 14.236 -8.801 -14.402 1.00 0.00 O ATOM 0 H GLY A 86 15.134 -8.494 -11.069 1.00 0.00 H new ATOM 0 HA2 GLY A 86 16.379 -6.862 -12.890 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.577 -8.601 -12.797 1.00 0.00 H new ATOM 1350 N GLU A 87 15.500 -7.184 -15.272 1.00 0.00 N ATOM 1351 CA GLU A 87 14.793 -7.238 -16.552 1.00 0.00 C ATOM 1352 C GLU A 87 14.986 -8.593 -17.260 1.00 0.00 C ATOM 1353 O GLU A 87 14.350 -8.869 -18.279 1.00 0.00 O ATOM 1354 CB GLU A 87 15.186 -6.033 -17.414 1.00 0.00 C ATOM 1355 CG GLU A 87 14.213 -5.829 -18.585 1.00 0.00 C ATOM 1356 CD GLU A 87 14.112 -4.360 -18.987 1.00 0.00 C ATOM 1357 OE1 GLU A 87 13.247 -3.647 -18.433 1.00 0.00 O ATOM 1358 OE2 GLU A 87 14.863 -3.916 -19.881 1.00 0.00 O ATOM 0 H GLU A 87 16.275 -6.522 -15.237 1.00 0.00 H new ATOM 0 HA GLU A 87 13.721 -7.168 -16.370 1.00 0.00 H new ATOM 0 HB2 GLU A 87 15.205 -5.135 -16.797 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.195 -6.176 -17.800 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.544 -6.418 -19.440 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.226 -6.199 -18.307 1.00 0.00 H new ATOM 1365 N ASN A 88 15.854 -9.461 -16.730 1.00 0.00 N ATOM 1366 CA ASN A 88 16.093 -10.807 -17.223 1.00 0.00 C ATOM 1367 C ASN A 88 15.110 -11.835 -16.660 1.00 0.00 C ATOM 1368 O ASN A 88 14.753 -12.743 -17.412 1.00 0.00 O ATOM 1369 CB ASN A 88 17.527 -11.238 -16.897 1.00 0.00 C ATOM 1370 CG ASN A 88 18.583 -10.483 -17.683 1.00 0.00 C ATOM 1371 OD1 ASN A 88 19.469 -9.867 -17.099 1.00 0.00 O ATOM 1372 ND2 ASN A 88 18.528 -10.494 -19.004 1.00 0.00 N ATOM 0 H ASN A 88 16.426 -9.230 -15.918 1.00 0.00 H new ATOM 0 HA ASN A 88 15.942 -10.775 -18.302 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.707 -11.094 -15.832 1.00 0.00 H new ATOM 0 HB3 ASN A 88 17.631 -12.304 -17.097 1.00 0.00 H new ATOM 0 HD21 ASN A 88 19.226 -9.987 -19.548 1.00 0.00 H new ATOM 0 HD22 ASN A 88 17.787 -11.009 -19.479 1.00 0.00 H new ATOM 1379 N VAL A 89 14.645 -11.730 -15.406 1.00 0.00 N ATOM 1380 CA VAL A 89 13.779 -12.759 -14.829 1.00 0.00 C ATOM 1381 C VAL A 89 12.450 -12.815 -15.599 1.00 0.00 C ATOM 1382 O VAL A 89 11.770 -11.800 -15.772 1.00 0.00 O ATOM 1383 CB VAL A 89 13.700 -12.603 -13.294 1.00 0.00 C ATOM 1384 CG1 VAL A 89 13.344 -11.212 -12.771 1.00 0.00 C ATOM 1385 CG2 VAL A 89 12.722 -13.583 -12.659 1.00 0.00 C ATOM 0 H VAL A 89 14.853 -10.951 -14.781 1.00 0.00 H new ATOM 0 HA VAL A 89 14.200 -13.756 -14.957 1.00 0.00 H new ATOM 0 HB VAL A 89 14.729 -12.810 -13.001 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.319 -11.228 -11.681 1.00 0.00 H new ATOM 0 HG12 VAL A 89 14.093 -10.495 -13.106 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.365 -10.920 -13.152 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.704 -13.432 -11.580 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.724 -13.416 -13.065 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.036 -14.604 -12.877 1.00 0.00 H new ATOM 1395 N SER A 90 12.109 -14.003 -16.113 1.00 0.00 N ATOM 1396 CA SER A 90 10.943 -14.237 -16.950 1.00 0.00 C ATOM 1397 C SER A 90 9.622 -14.029 -16.215 1.00 0.00 C ATOM 1398 O SER A 90 9.529 -14.085 -14.989 1.00 0.00 O ATOM 1399 CB SER A 90 11.044 -15.618 -17.606 1.00 0.00 C ATOM 1400 OG SER A 90 10.100 -15.760 -18.651 1.00 0.00 O ATOM 0 H SER A 90 12.657 -14.847 -15.949 1.00 0.00 H new ATOM 0 HA SER A 90 10.940 -13.482 -17.736 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.050 -15.764 -17.999 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.880 -16.392 -16.857 1.00 0.00 H new ATOM 0 HG SER A 90 10.188 -16.650 -19.053 1.00 0.00 H new ATOM 1406 N GLY A 91 8.558 -13.864 -16.998 1.00 0.00 N ATOM 1407 CA GLY A 91 7.213 -13.579 -16.536 1.00 0.00 C ATOM 1408 C GLY A 91 6.630 -14.665 -15.637 1.00 0.00 C ATOM 1409 O GLY A 91 5.829 -14.353 -14.753 1.00 0.00 O ATOM 0 H GLY A 91 8.619 -13.929 -18.014 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.218 -12.634 -15.993 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.562 -13.447 -17.400 1.00 0.00 H new ATOM 1413 N LEU A 92 7.026 -15.930 -15.825 1.00 0.00 N ATOM 1414 CA LEU A 92 6.598 -17.030 -14.959 1.00 0.00 C ATOM 1415 C LEU A 92 7.093 -16.749 -13.547 1.00 0.00 C ATOM 1416 O LEU A 92 6.345 -16.847 -12.575 1.00 0.00 O ATOM 1417 CB LEU A 92 7.153 -18.369 -15.486 1.00 0.00 C ATOM 1418 CG LEU A 92 6.791 -19.646 -14.689 1.00 0.00 C ATOM 1419 CD1 LEU A 92 7.596 -19.843 -13.394 1.00 0.00 C ATOM 1420 CD2 LEU A 92 5.292 -19.749 -14.381 1.00 0.00 C ATOM 0 H LEU A 92 7.650 -16.217 -16.579 1.00 0.00 H new ATOM 0 HA LEU A 92 5.511 -17.105 -14.953 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.804 -18.500 -16.510 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.240 -18.292 -15.526 1.00 0.00 H new ATOM 0 HG LEU A 92 7.073 -20.453 -15.366 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.275 -20.762 -12.903 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.658 -19.910 -13.632 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.426 -18.997 -12.728 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.098 -20.664 -13.821 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.982 -18.888 -13.789 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.729 -19.769 -15.314 1.00 0.00 H new ATOM 1432 N GLN A 93 8.363 -16.372 -13.437 1.00 0.00 N ATOM 1433 CA GLN A 93 8.976 -16.015 -12.177 1.00 0.00 C ATOM 1434 C GLN A 93 8.353 -14.714 -11.654 1.00 0.00 C ATOM 1435 O GLN A 93 7.990 -14.647 -10.480 1.00 0.00 O ATOM 1436 CB GLN A 93 10.484 -15.932 -12.364 1.00 0.00 C ATOM 1437 CG GLN A 93 11.080 -17.223 -12.950 1.00 0.00 C ATOM 1438 CD GLN A 93 12.535 -17.385 -12.539 1.00 0.00 C ATOM 1439 OE1 GLN A 93 12.815 -17.608 -11.367 1.00 0.00 O ATOM 1440 NE2 GLN A 93 13.481 -17.311 -13.449 1.00 0.00 N ATOM 0 H GLN A 93 8.997 -16.307 -14.234 1.00 0.00 H new ATOM 0 HA GLN A 93 8.789 -16.776 -11.419 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.719 -15.096 -13.023 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.954 -15.723 -11.403 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.504 -18.082 -12.608 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.005 -17.202 -14.037 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.239 -17.125 -14.422 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.457 -17.440 -13.182 1.00 0.00 H new ATOM 1449 N ARG A 94 8.118 -13.717 -12.521 1.00 0.00 N ATOM 1450 CA ARG A 94 7.443 -12.471 -12.141 1.00 0.00 C ATOM 1451 C ARG A 94 6.041 -12.769 -11.584 1.00 0.00 C ATOM 1452 O ARG A 94 5.524 -11.989 -10.783 1.00 0.00 O ATOM 1453 CB ARG A 94 7.408 -11.486 -13.323 1.00 0.00 C ATOM 1454 CG ARG A 94 7.203 -10.054 -12.805 1.00 0.00 C ATOM 1455 CD ARG A 94 7.548 -8.973 -13.835 1.00 0.00 C ATOM 1456 NE ARG A 94 6.421 -8.676 -14.728 1.00 0.00 N ATOM 1457 CZ ARG A 94 5.994 -7.463 -15.099 1.00 0.00 C ATOM 1458 NH1 ARG A 94 6.617 -6.350 -14.726 1.00 0.00 N ATOM 1459 NH2 ARG A 94 4.901 -7.387 -15.839 1.00 0.00 N ATOM 0 H ARG A 94 8.391 -13.754 -13.503 1.00 0.00 H new ATOM 0 HA ARG A 94 8.011 -11.989 -11.345 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.339 -11.548 -13.887 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.602 -11.753 -14.007 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.164 -9.933 -12.498 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.817 -9.907 -11.917 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.848 -8.062 -13.316 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.403 -9.298 -14.428 1.00 0.00 H new ATOM 0 HE ARG A 94 5.912 -9.476 -15.104 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.449 -6.404 -14.138 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.263 -5.442 -15.028 1.00 0.00 H new ATOM 0 HH21 ARG A 94 4.409 -8.238 -16.111 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.550 -6.477 -16.138 1.00 0.00 H new ATOM 1473 N ALA A 95 5.417 -13.897 -11.952 1.00 0.00 N ATOM 1474 CA ALA A 95 4.129 -14.305 -11.409 1.00 0.00 C ATOM 1475 C ALA A 95 4.236 -14.554 -9.905 1.00 0.00 C ATOM 1476 O ALA A 95 3.319 -14.183 -9.173 1.00 0.00 O ATOM 1477 CB ALA A 95 3.581 -15.560 -12.102 1.00 0.00 C ATOM 0 H ALA A 95 5.799 -14.549 -12.637 1.00 0.00 H new ATOM 0 HA ALA A 95 3.432 -13.488 -11.595 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.619 -15.827 -11.664 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.453 -15.361 -13.166 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.281 -16.384 -11.969 1.00 0.00 H new ATOM 1483 N LYS A 96 5.337 -15.154 -9.421 1.00 0.00 N ATOM 1484 CA LYS A 96 5.546 -15.355 -7.982 1.00 0.00 C ATOM 1485 C LYS A 96 5.473 -14.015 -7.286 1.00 0.00 C ATOM 1486 O LYS A 96 4.842 -13.916 -6.242 1.00 0.00 O ATOM 1487 CB LYS A 96 6.916 -15.960 -7.624 1.00 0.00 C ATOM 1488 CG LYS A 96 7.061 -17.470 -7.802 1.00 0.00 C ATOM 1489 CD LYS A 96 7.096 -17.936 -9.264 1.00 0.00 C ATOM 1490 CE LYS A 96 5.730 -18.395 -9.781 1.00 0.00 C ATOM 1491 NZ LYS A 96 5.343 -19.703 -9.222 1.00 0.00 N ATOM 0 H LYS A 96 6.094 -15.507 -10.007 1.00 0.00 H new ATOM 0 HA LYS A 96 4.772 -16.053 -7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.675 -15.470 -8.234 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.136 -15.716 -6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.976 -17.796 -7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.232 -17.964 -7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.460 -17.121 -9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.809 -18.755 -9.361 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.975 -17.652 -9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.756 -18.458 -10.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.307 -19.758 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.688 -20.462 -9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.760 -19.813 -8.276 1.00 0.00 H new ATOM 1505 N THR A 97 6.065 -12.982 -7.876 1.00 0.00 N ATOM 1506 CA THR A 97 6.128 -11.674 -7.268 1.00 0.00 C ATOM 1507 C THR A 97 4.714 -11.135 -6.994 1.00 0.00 C ATOM 1508 O THR A 97 4.520 -10.478 -5.975 1.00 0.00 O ATOM 1509 CB THR A 97 7.022 -10.768 -8.131 1.00 0.00 C ATOM 1510 OG1 THR A 97 8.157 -11.499 -8.584 1.00 0.00 O ATOM 1511 CG2 THR A 97 7.547 -9.589 -7.320 1.00 0.00 C ATOM 0 H THR A 97 6.513 -13.037 -8.791 1.00 0.00 H new ATOM 0 HA THR A 97 6.595 -11.715 -6.284 1.00 0.00 H new ATOM 0 HB THR A 97 6.418 -10.413 -8.966 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.722 -10.918 -9.135 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.176 -8.964 -7.953 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.708 -9.001 -6.948 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.132 -9.958 -6.478 1.00 0.00 H new ATOM 1519 N GLY A 98 3.699 -11.495 -7.792 1.00 0.00 N ATOM 1520 CA GLY A 98 2.323 -11.079 -7.521 1.00 0.00 C ATOM 1521 C GLY A 98 1.728 -11.786 -6.299 1.00 0.00 C ATOM 1522 O GLY A 98 0.872 -11.225 -5.612 1.00 0.00 O ATOM 0 H GLY A 98 3.808 -12.071 -8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.297 -10.001 -7.362 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.705 -11.287 -8.394 1.00 0.00 H new ATOM 1526 N THR A 99 2.219 -12.980 -5.983 1.00 0.00 N ATOM 1527 CA THR A 99 1.849 -13.763 -4.808 1.00 0.00 C ATOM 1528 C THR A 99 2.764 -13.401 -3.626 1.00 0.00 C ATOM 1529 O THR A 99 2.450 -13.719 -2.482 1.00 0.00 O ATOM 1530 CB THR A 99 1.972 -15.257 -5.163 1.00 0.00 C ATOM 1531 OG1 THR A 99 1.226 -15.556 -6.334 1.00 0.00 O ATOM 1532 CG2 THR A 99 1.459 -16.190 -4.068 1.00 0.00 C ATOM 0 H THR A 99 2.915 -13.449 -6.563 1.00 0.00 H new ATOM 0 HA THR A 99 0.823 -13.544 -4.513 1.00 0.00 H new ATOM 0 HB THR A 99 3.040 -15.425 -5.302 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.317 -16.509 -6.546 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.577 -17.225 -4.387 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.028 -16.025 -3.153 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.405 -15.986 -3.881 1.00 0.00 H new ATOM 1540 N ASP A 100 3.842 -12.655 -3.869 1.00 0.00 N ATOM 1541 CA ASP A 100 4.834 -12.326 -2.861 1.00 0.00 C ATOM 1542 C ASP A 100 4.673 -10.895 -2.371 1.00 0.00 C ATOM 1543 O ASP A 100 4.983 -10.630 -1.215 1.00 0.00 O ATOM 1544 CB ASP A 100 6.244 -12.473 -3.431 1.00 0.00 C ATOM 1545 CG ASP A 100 6.691 -13.895 -3.763 1.00 0.00 C ATOM 1546 OD1 ASP A 100 6.269 -14.852 -3.074 1.00 0.00 O ATOM 1547 OD2 ASP A 100 7.535 -14.060 -4.681 1.00 0.00 O ATOM 0 H ASP A 100 4.048 -12.260 -4.786 1.00 0.00 H new ATOM 0 HA ASP A 100 4.685 -13.015 -2.030 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.312 -11.872 -4.338 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.949 -12.050 -2.715 1.00 0.00 H new ATOM 1552 N LYS A 101 4.143 -9.969 -3.183 1.00 0.00 N ATOM 1553 CA LYS A 101 3.892 -8.603 -2.719 1.00 0.00 C ATOM 1554 C LYS A 101 3.056 -8.637 -1.455 1.00 0.00 C ATOM 1555 O LYS A 101 3.439 -8.061 -0.446 1.00 0.00 O ATOM 1556 CB LYS A 101 3.142 -7.757 -3.755 1.00 0.00 C ATOM 1557 CG LYS A 101 3.934 -7.248 -4.965 1.00 0.00 C ATOM 1558 CD LYS A 101 3.160 -6.136 -5.702 1.00 0.00 C ATOM 1559 CE LYS A 101 1.797 -6.611 -6.222 1.00 0.00 C ATOM 1560 NZ LYS A 101 0.861 -5.500 -6.481 1.00 0.00 N ATOM 0 H LYS A 101 3.883 -10.141 -4.154 1.00 0.00 H new ATOM 0 HA LYS A 101 4.867 -8.150 -2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.304 -8.346 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.721 -6.893 -3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.901 -6.867 -4.637 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.131 -8.074 -5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.013 -5.292 -5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.758 -5.775 -6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.942 -7.178 -7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.353 -7.291 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.042 -5.881 -6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.697 -4.972 -5.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.267 -4.863 -7.196 1.00 0.00 H new ATOM 1574 N THR A 102 1.937 -9.351 -1.504 1.00 0.00 N ATOM 1575 CA THR A 102 1.013 -9.463 -0.396 1.00 0.00 C ATOM 1576 C THR A 102 1.712 -10.046 0.844 1.00 0.00 C ATOM 1577 O THR A 102 1.415 -9.622 1.956 1.00 0.00 O ATOM 1578 CB THR A 102 -0.189 -10.275 -0.902 1.00 0.00 C ATOM 1579 OG1 THR A 102 -1.328 -10.067 -0.110 1.00 0.00 O ATOM 1580 CG2 THR A 102 0.109 -11.772 -0.973 1.00 0.00 C ATOM 0 H THR A 102 1.647 -9.874 -2.330 1.00 0.00 H new ATOM 0 HA THR A 102 0.650 -8.492 -0.058 1.00 0.00 H new ATOM 0 HB THR A 102 -0.386 -9.914 -1.911 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.073 -10.598 -0.462 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.772 -12.301 -1.336 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.943 -11.945 -1.653 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.369 -12.139 0.020 1.00 0.00 H new ATOM 1588 N LEU A 103 2.672 -10.968 0.668 1.00 0.00 N ATOM 1589 CA LEU A 103 3.434 -11.568 1.754 1.00 0.00 C ATOM 1590 C LEU A 103 4.261 -10.514 2.451 1.00 0.00 C ATOM 1591 O LEU A 103 4.038 -10.271 3.629 1.00 0.00 O ATOM 1592 CB LEU A 103 4.356 -12.679 1.256 1.00 0.00 C ATOM 1593 CG LEU A 103 3.665 -14.024 1.017 1.00 0.00 C ATOM 1594 CD1 LEU A 103 4.767 -15.031 0.727 1.00 0.00 C ATOM 1595 CD2 LEU A 103 2.828 -14.555 2.188 1.00 0.00 C ATOM 0 H LEU A 103 2.938 -11.318 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 103 2.718 -12.004 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.823 -12.355 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.157 -12.821 1.982 1.00 0.00 H new ATOM 0 HG LEU A 103 2.958 -13.879 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.326 -16.012 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.323 -14.717 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.443 -15.087 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.383 -15.511 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.467 -14.689 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.038 -13.842 2.423 1.00 0.00 H new ATOM 1607 N VAL A 104 5.203 -9.871 1.765 1.00 0.00 N ATOM 1608 CA VAL A 104 5.943 -8.799 2.432 1.00 0.00 C ATOM 1609 C VAL A 104 4.982 -7.689 2.878 1.00 0.00 C ATOM 1610 O VAL A 104 5.253 -7.057 3.899 1.00 0.00 O ATOM 1611 CB VAL A 104 7.182 -8.370 1.622 1.00 0.00 C ATOM 1612 CG1 VAL A 104 6.974 -8.331 0.109 1.00 0.00 C ATOM 1613 CG2 VAL A 104 7.765 -7.032 2.093 1.00 0.00 C ATOM 0 H VAL A 104 5.464 -10.058 0.797 1.00 0.00 H new ATOM 0 HA VAL A 104 6.384 -9.161 3.361 1.00 0.00 H new ATOM 0 HB VAL A 104 7.900 -9.165 1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.898 -8.019 -0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.694 -9.323 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.181 -7.623 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.635 -6.781 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.012 -6.250 1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.062 -7.113 3.139 1.00 0.00 H new ATOM 1623 N LYS A 105 3.816 -7.500 2.241 1.00 0.00 N ATOM 1624 CA LYS A 105 2.869 -6.504 2.727 1.00 0.00 C ATOM 1625 C LYS A 105 2.298 -6.949 4.081 1.00 0.00 C ATOM 1626 O LYS A 105 1.946 -6.080 4.863 1.00 0.00 O ATOM 1627 CB LYS A 105 1.769 -6.207 1.696 1.00 0.00 C ATOM 1628 CG LYS A 105 1.125 -4.836 1.971 1.00 0.00 C ATOM 1629 CD LYS A 105 -0.232 -4.647 1.296 1.00 0.00 C ATOM 1630 CE LYS A 105 -0.192 -4.723 -0.235 1.00 0.00 C ATOM 1631 NZ LYS A 105 -1.498 -4.324 -0.801 1.00 0.00 N ATOM 0 H LYS A 105 3.518 -8.012 1.411 1.00 0.00 H new ATOM 0 HA LYS A 105 3.398 -5.563 2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 105 2.191 -6.222 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 105 1.008 -6.986 1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 105 1.006 -4.710 3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 105 1.802 -4.052 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.919 -5.408 1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -0.639 -3.679 1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 105 0.593 -4.071 -0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.054 -5.737 -0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -1.458 -4.380 -1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.239 -4.963 -0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.717 -3.348 -0.515 1.00 0.00 H new ATOM 1645 N GLU A 106 2.235 -8.248 4.410 1.00 0.00 N ATOM 1646 CA GLU A 106 1.786 -8.734 5.720 1.00 0.00 C ATOM 1647 C GLU A 106 2.738 -8.262 6.831 1.00 0.00 C ATOM 1648 O GLU A 106 2.329 -8.159 7.989 1.00 0.00 O ATOM 1649 CB GLU A 106 1.647 -10.271 5.771 1.00 0.00 C ATOM 1650 CG GLU A 106 0.568 -10.853 4.844 1.00 0.00 C ATOM 1651 CD GLU A 106 -0.188 -11.994 5.525 1.00 0.00 C ATOM 1652 OE1 GLU A 106 -1.009 -11.713 6.425 1.00 0.00 O ATOM 1653 OE2 GLU A 106 -0.003 -13.194 5.205 1.00 0.00 O ATOM 0 H GLU A 106 2.497 -8.996 3.768 1.00 0.00 H new ATOM 0 HA GLU A 106 0.795 -8.310 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.607 -10.717 5.512 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.424 -10.568 6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.132 -10.068 4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.030 -11.216 3.926 1.00 0.00 H new ATOM 1660 N VAL A 107 4.007 -7.997 6.505 1.00 0.00 N ATOM 1661 CA VAL A 107 4.992 -7.448 7.431 1.00 0.00 C ATOM 1662 C VAL A 107 4.834 -5.925 7.384 1.00 0.00 C ATOM 1663 O VAL A 107 4.565 -5.270 8.394 1.00 0.00 O ATOM 1664 CB VAL A 107 6.414 -7.908 7.026 1.00 0.00 C ATOM 1665 CG1 VAL A 107 7.501 -7.209 7.860 1.00 0.00 C ATOM 1666 CG2 VAL A 107 6.551 -9.424 7.206 1.00 0.00 C ATOM 0 H VAL A 107 4.382 -8.163 5.571 1.00 0.00 H new ATOM 0 HA VAL A 107 4.838 -7.801 8.451 1.00 0.00 H new ATOM 0 HB VAL A 107 6.553 -7.638 5.979 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.484 -7.560 7.544 1.00 0.00 H new ATOM 0 HG12 VAL A 107 7.436 -6.131 7.712 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.355 -7.440 8.915 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.555 -9.735 6.918 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.376 -9.684 8.250 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.819 -9.933 6.578 1.00 0.00 H new ATOM 1676 N VAL A 108 4.990 -5.373 6.187 1.00 0.00 N ATOM 1677 CA VAL A 108 4.992 -3.975 5.788 1.00 0.00 C ATOM 1678 C VAL A 108 3.567 -3.369 5.818 1.00 0.00 C ATOM 1679 O VAL A 108 3.280 -2.422 5.088 1.00 0.00 O ATOM 1680 CB VAL A 108 5.781 -3.903 4.449 1.00 0.00 C ATOM 1681 CG1 VAL A 108 5.943 -2.501 3.858 1.00 0.00 C ATOM 1682 CG2 VAL A 108 7.218 -4.441 4.639 1.00 0.00 C ATOM 0 H VAL A 108 5.136 -5.972 5.374 1.00 0.00 H new ATOM 0 HA VAL A 108 5.507 -3.323 6.493 1.00 0.00 H new ATOM 0 HB VAL A 108 5.177 -4.500 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.507 -2.561 2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.960 -2.074 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.478 -1.868 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.756 -4.384 3.693 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.735 -3.841 5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.177 -5.478 4.971 1.00 0.00 H new ATOM 1692 N GLN A 109 2.637 -3.885 6.640 1.00 0.00 N ATOM 1693 CA GLN A 109 1.252 -3.401 6.647 1.00 0.00 C ATOM 1694 C GLN A 109 1.187 -1.909 6.984 1.00 0.00 C ATOM 1695 O GLN A 109 0.293 -1.215 6.493 1.00 0.00 O ATOM 1696 CB GLN A 109 0.393 -4.180 7.658 1.00 0.00 C ATOM 1697 CG GLN A 109 0.270 -5.663 7.305 1.00 0.00 C ATOM 1698 CD GLN A 109 -0.450 -6.497 8.350 1.00 0.00 C ATOM 1699 OE1 GLN A 109 -0.301 -6.299 9.549 1.00 0.00 O ATOM 1700 NE2 GLN A 109 -1.241 -7.474 7.938 1.00 0.00 N ATOM 0 H GLN A 109 2.822 -4.635 7.306 1.00 0.00 H new ATOM 0 HA GLN A 109 0.857 -3.560 5.644 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.830 -4.082 8.652 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.602 -3.737 7.702 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.258 -5.756 6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 109 1.269 -6.073 7.155 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.367 -7.641 6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.725 -8.060 8.619 1.00 0.00 H new ATOM 1709 N ASN A 110 2.177 -1.384 7.714 1.00 0.00 N ATOM 1710 CA ASN A 110 2.281 0.029 8.025 1.00 0.00 C ATOM 1711 C ASN A 110 3.134 0.700 6.951 1.00 0.00 C ATOM 1712 O ASN A 110 4.277 1.087 7.203 1.00 0.00 O ATOM 1713 CB ASN A 110 2.880 0.251 9.416 1.00 0.00 C ATOM 1714 CG ASN A 110 2.809 1.724 9.779 1.00 0.00 C ATOM 1715 OD1 ASN A 110 1.742 2.335 9.702 1.00 0.00 O ATOM 1716 ND2 ASN A 110 3.896 2.338 10.200 1.00 0.00 N ATOM 0 H ASN A 110 2.934 -1.944 8.106 1.00 0.00 H new ATOM 0 HA ASN A 110 1.285 0.471 8.035 1.00 0.00 H new ATOM 0 HB2 ASN A 110 2.338 -0.341 10.154 1.00 0.00 H new ATOM 0 HB3 ASN A 110 3.916 -0.088 9.434 1.00 0.00 H new ATOM 0 HD21 ASN A 110 3.856 3.323 10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 110 4.778 1.829 10.262 1.00 0.00 H new ATOM 1723 N PHE A 111 2.593 0.825 5.741 1.00 0.00 N ATOM 1724 CA PHE A 111 3.286 1.521 4.669 1.00 0.00 C ATOM 1725 C PHE A 111 2.363 2.488 3.966 1.00 0.00 C ATOM 1726 O PHE A 111 1.172 2.572 4.278 1.00 0.00 O ATOM 1727 CB PHE A 111 3.976 0.554 3.694 1.00 0.00 C ATOM 1728 CG PHE A 111 3.164 -0.115 2.590 1.00 0.00 C ATOM 1729 CD1 PHE A 111 1.768 -0.304 2.655 1.00 0.00 C ATOM 1730 CD2 PHE A 111 3.853 -0.542 1.440 1.00 0.00 C ATOM 1731 CE1 PHE A 111 1.081 -0.889 1.574 1.00 0.00 C ATOM 1732 CE2 PHE A 111 3.172 -1.169 0.385 1.00 0.00 C ATOM 1733 CZ PHE A 111 1.780 -1.323 0.437 1.00 0.00 C ATOM 0 H PHE A 111 1.679 0.453 5.483 1.00 0.00 H new ATOM 0 HA PHE A 111 4.086 2.106 5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.789 1.100 3.215 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.431 -0.238 4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.224 0.001 3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.919 -0.385 1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.008 -1.005 1.620 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.722 -1.534 -0.470 1.00 0.00 H new ATOM 0 HZ PHE A 111 1.250 -1.772 -0.390 1.00 0.00 H new ATOM 1743 N ALA A 112 2.930 3.232 3.025 1.00 0.00 N ATOM 1744 CA ALA A 112 2.195 4.188 2.240 1.00 0.00 C ATOM 1745 C ALA A 112 1.700 3.501 0.970 1.00 0.00 C ATOM 1746 O ALA A 112 0.492 3.308 0.823 1.00 0.00 O ATOM 1747 CB ALA A 112 3.120 5.372 2.006 1.00 0.00 C ATOM 0 H ALA A 112 3.921 3.181 2.791 1.00 0.00 H new ATOM 0 HA ALA A 112 1.301 4.566 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.603 6.126 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.411 5.802 2.965 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.010 5.038 1.473 1.00 0.00 H new ATOM 1753 N LYS A 113 2.617 3.102 0.088 1.00 0.00 N ATOM 1754 CA LYS A 113 2.417 2.355 -1.155 1.00 0.00 C ATOM 1755 C LYS A 113 3.758 1.725 -1.525 1.00 0.00 C ATOM 1756 O LYS A 113 4.774 1.984 -0.877 1.00 0.00 O ATOM 1757 CB LYS A 113 1.930 3.263 -2.306 1.00 0.00 C ATOM 1758 CG LYS A 113 0.426 3.577 -2.316 1.00 0.00 C ATOM 1759 CD LYS A 113 0.108 5.024 -1.908 1.00 0.00 C ATOM 1760 CE LYS A 113 -1.400 5.298 -1.830 1.00 0.00 C ATOM 1761 NZ LYS A 113 -2.084 5.149 -3.132 1.00 0.00 N ATOM 0 H LYS A 113 3.604 3.311 0.238 1.00 0.00 H new ATOM 0 HA LYS A 113 1.646 1.600 -1.003 1.00 0.00 H new ATOM 0 HB2 LYS A 113 2.479 4.204 -2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.190 2.789 -3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 113 0.029 3.392 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -0.086 2.894 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 113 0.562 5.232 -0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 113 0.561 5.708 -2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -1.851 4.616 -1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.561 6.309 -1.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.095 5.363 -3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -1.666 5.806 -3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.973 4.173 -3.473 1.00 0.00 H new ATOM 1775 N GLU A 114 3.774 0.916 -2.575 1.00 0.00 N ATOM 1776 CA GLU A 114 4.974 0.288 -3.116 1.00 0.00 C ATOM 1777 C GLU A 114 5.509 1.007 -4.350 1.00 0.00 C ATOM 1778 O GLU A 114 4.931 2.000 -4.801 1.00 0.00 O ATOM 1779 CB GLU A 114 4.712 -1.198 -3.381 1.00 0.00 C ATOM 1780 CG GLU A 114 3.499 -1.489 -4.275 1.00 0.00 C ATOM 1781 CD GLU A 114 2.207 -1.575 -3.473 1.00 0.00 C ATOM 1782 OE1 GLU A 114 1.946 -2.642 -2.876 1.00 0.00 O ATOM 1783 OE2 GLU A 114 1.426 -0.596 -3.478 1.00 0.00 O ATOM 0 H GLU A 114 2.928 0.671 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 114 5.762 0.371 -2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.599 -1.632 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.571 -1.704 -2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.407 -0.706 -5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.658 -2.426 -4.808 1.00 0.00 H new ATOM 1790 N PHE A 115 6.623 0.509 -4.883 1.00 0.00 N ATOM 1791 CA PHE A 115 7.252 0.992 -6.100 1.00 0.00 C ATOM 1792 C PHE A 115 7.787 -0.288 -6.767 1.00 0.00 C ATOM 1793 O PHE A 115 8.215 -1.204 -6.055 1.00 0.00 O ATOM 1794 CB PHE A 115 8.401 1.934 -5.697 1.00 0.00 C ATOM 1795 CG PHE A 115 8.842 2.933 -6.744 1.00 0.00 C ATOM 1796 CD1 PHE A 115 9.345 2.545 -7.997 1.00 0.00 C ATOM 1797 CD2 PHE A 115 8.701 4.304 -6.449 1.00 0.00 C ATOM 1798 CE1 PHE A 115 9.716 3.512 -8.944 1.00 0.00 C ATOM 1799 CE2 PHE A 115 9.067 5.272 -7.393 1.00 0.00 C ATOM 1800 CZ PHE A 115 9.575 4.873 -8.638 1.00 0.00 C ATOM 0 H PHE A 115 7.127 -0.270 -4.460 1.00 0.00 H new ATOM 0 HA PHE A 115 6.590 1.545 -6.767 1.00 0.00 H new ATOM 0 HB2 PHE A 115 8.098 2.483 -4.805 1.00 0.00 H new ATOM 0 HB3 PHE A 115 9.262 1.326 -5.419 1.00 0.00 H new ATOM 0 HD1 PHE A 115 9.447 1.496 -8.233 1.00 0.00 H new ATOM 0 HD2 PHE A 115 8.309 4.610 -5.490 1.00 0.00 H new ATOM 0 HE1 PHE A 115 10.108 3.209 -9.904 1.00 0.00 H new ATOM 0 HE2 PHE A 115 8.958 6.322 -7.163 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.859 5.619 -9.366 1.00 0.00 H new ATOM 1810 N VAL A 116 7.774 -0.391 -8.096 1.00 0.00 N ATOM 1811 CA VAL A 116 8.343 -1.535 -8.811 1.00 0.00 C ATOM 1812 C VAL A 116 9.381 -0.979 -9.777 1.00 0.00 C ATOM 1813 O VAL A 116 9.103 -0.031 -10.512 1.00 0.00 O ATOM 1814 CB VAL A 116 7.252 -2.392 -9.483 1.00 0.00 C ATOM 1815 CG1 VAL A 116 7.868 -3.596 -10.217 1.00 0.00 C ATOM 1816 CG2 VAL A 116 6.259 -2.930 -8.435 1.00 0.00 C ATOM 0 H VAL A 116 7.368 0.317 -8.708 1.00 0.00 H new ATOM 0 HA VAL A 116 8.831 -2.229 -8.127 1.00 0.00 H new ATOM 0 HB VAL A 116 6.735 -1.750 -10.196 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.076 -4.183 -10.682 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.555 -3.241 -10.985 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.410 -4.218 -9.505 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.497 -3.532 -8.931 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.793 -3.545 -7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.783 -2.094 -7.922 1.00 0.00 H new ATOM 1826 N ILE A 117 10.569 -1.574 -9.764 1.00 0.00 N ATOM 1827 CA ILE A 117 11.743 -1.175 -10.516 1.00 0.00 C ATOM 1828 C ILE A 117 12.309 -2.392 -11.257 1.00 0.00 C ATOM 1829 O ILE A 117 12.242 -3.514 -10.752 1.00 0.00 O ATOM 1830 CB ILE A 117 12.730 -0.569 -9.494 1.00 0.00 C ATOM 1831 CG1 ILE A 117 12.210 0.781 -8.947 1.00 0.00 C ATOM 1832 CG2 ILE A 117 14.103 -0.326 -10.117 1.00 0.00 C ATOM 1833 CD1 ILE A 117 11.976 0.836 -7.440 1.00 0.00 C ATOM 0 H ILE A 117 10.744 -2.399 -9.190 1.00 0.00 H new ATOM 0 HA ILE A 117 11.525 -0.431 -11.282 1.00 0.00 H new ATOM 0 HB ILE A 117 12.816 -1.293 -8.684 1.00 0.00 H new ATOM 0 HG12 ILE A 117 12.924 1.560 -9.214 1.00 0.00 H new ATOM 0 HG13 ILE A 117 11.274 1.020 -9.451 1.00 0.00 H new ATOM 0 HG21 ILE A 117 14.771 0.101 -9.369 1.00 0.00 H new ATOM 0 HG22 ILE A 117 14.513 -1.271 -10.473 1.00 0.00 H new ATOM 0 HG23 ILE A 117 14.006 0.366 -10.954 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.613 1.826 -7.164 1.00 0.00 H new ATOM 0 HD12 ILE A 117 11.236 0.087 -7.159 1.00 0.00 H new ATOM 0 HD13 ILE A 117 12.912 0.635 -6.919 1.00 0.00 H new ATOM 1845 N SER A 118 12.903 -2.159 -12.431 1.00 0.00 N ATOM 1846 CA SER A 118 13.575 -3.178 -13.236 1.00 0.00 C ATOM 1847 C SER A 118 14.790 -2.637 -13.998 1.00 0.00 C ATOM 1848 O SER A 118 15.341 -3.315 -14.868 1.00 0.00 O ATOM 1849 CB SER A 118 12.564 -3.833 -14.185 1.00 0.00 C ATOM 1850 OG SER A 118 11.766 -2.865 -14.852 1.00 0.00 O ATOM 0 H SER A 118 12.929 -1.233 -12.857 1.00 0.00 H new ATOM 0 HA SER A 118 13.969 -3.930 -12.553 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.094 -4.437 -14.921 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.921 -4.509 -13.621 1.00 0.00 H new ATOM 0 HG SER A 118 11.134 -3.317 -15.450 1.00 0.00 H new ATOM 1856 N ASP A 119 15.215 -1.406 -13.714 1.00 0.00 N ATOM 1857 CA ASP A 119 16.346 -0.783 -14.392 1.00 0.00 C ATOM 1858 C ASP A 119 17.118 0.034 -13.372 1.00 0.00 C ATOM 1859 O ASP A 119 16.488 0.575 -12.466 1.00 0.00 O ATOM 1860 CB ASP A 119 15.824 0.103 -15.534 1.00 0.00 C ATOM 1861 CG ASP A 119 16.932 0.380 -16.534 1.00 0.00 C ATOM 1862 OD1 ASP A 119 17.953 0.973 -16.138 1.00 0.00 O ATOM 1863 OD2 ASP A 119 16.856 -0.121 -17.679 1.00 0.00 O ATOM 0 H ASP A 119 14.782 -0.814 -13.005 1.00 0.00 H new ATOM 0 HA ASP A 119 17.009 -1.534 -14.822 1.00 0.00 H new ATOM 0 HB2 ASP A 119 14.989 -0.389 -16.033 1.00 0.00 H new ATOM 0 HB3 ASP A 119 15.445 1.042 -15.131 1.00 0.00 H new ATOM 1868 N ARG A 120 18.446 0.155 -13.485 1.00 0.00 N ATOM 1869 CA ARG A 120 19.211 1.008 -12.574 1.00 0.00 C ATOM 1870 C ARG A 120 18.772 2.468 -12.722 1.00 0.00 C ATOM 1871 O ARG A 120 18.945 3.258 -11.798 1.00 0.00 O ATOM 1872 CB ARG A 120 20.715 0.827 -12.806 1.00 0.00 C ATOM 1873 CG ARG A 120 21.553 1.303 -11.608 1.00 0.00 C ATOM 1874 CD ARG A 120 23.052 1.190 -11.898 1.00 0.00 C ATOM 1875 NE ARG A 120 23.479 2.110 -12.966 1.00 0.00 N ATOM 1876 CZ ARG A 120 24.656 2.064 -13.598 1.00 0.00 C ATOM 1877 NH1 ARG A 120 25.564 1.152 -13.263 1.00 0.00 N ATOM 1878 NH2 ARG A 120 24.954 2.920 -14.569 1.00 0.00 N ATOM 0 H ARG A 120 19.006 -0.322 -14.191 1.00 0.00 H new ATOM 0 HA ARG A 120 19.008 0.710 -11.546 1.00 0.00 H new ATOM 0 HB2 ARG A 120 20.926 -0.225 -12.999 1.00 0.00 H new ATOM 0 HB3 ARG A 120 21.012 1.381 -13.697 1.00 0.00 H new ATOM 0 HG2 ARG A 120 21.303 2.338 -11.374 1.00 0.00 H new ATOM 0 HG3 ARG A 120 21.305 0.709 -10.729 1.00 0.00 H new ATOM 0 HD2 ARG A 120 23.614 1.404 -10.989 1.00 0.00 H new ATOM 0 HD3 ARG A 120 23.289 0.166 -12.186 1.00 0.00 H new ATOM 0 HE ARG A 120 22.824 2.841 -13.246 1.00 0.00 H new ATOM 0 HH11 ARG A 120 25.364 0.482 -12.520 1.00 0.00 H new ATOM 0 HH12 ARG A 120 26.460 1.122 -13.749 1.00 0.00 H new ATOM 0 HH21 ARG A 120 24.278 3.632 -14.847 1.00 0.00 H new ATOM 0 HH22 ARG A 120 25.859 2.866 -15.037 1.00 0.00 H new ATOM 1892 N LYS A 121 18.213 2.849 -13.876 1.00 0.00 N ATOM 1893 CA LYS A 121 17.670 4.175 -14.101 1.00 0.00 C ATOM 1894 C LYS A 121 16.432 4.311 -13.226 1.00 0.00 C ATOM 1895 O LYS A 121 16.354 5.201 -12.389 1.00 0.00 O ATOM 1896 CB LYS A 121 17.367 4.403 -15.592 1.00 0.00 C ATOM 1897 CG LYS A 121 18.623 4.785 -16.391 1.00 0.00 C ATOM 1898 CD LYS A 121 19.640 3.655 -16.625 1.00 0.00 C ATOM 1899 CE LYS A 121 20.914 4.144 -17.316 1.00 0.00 C ATOM 1900 NZ LYS A 121 20.661 4.678 -18.667 1.00 0.00 N ATOM 0 H LYS A 121 18.128 2.231 -14.683 1.00 0.00 H new ATOM 0 HA LYS A 121 18.393 4.944 -13.829 1.00 0.00 H new ATOM 0 HB2 LYS A 121 16.932 3.497 -16.015 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.621 5.192 -15.692 1.00 0.00 H new ATOM 0 HG2 LYS A 121 18.309 5.172 -17.361 1.00 0.00 H new ATOM 0 HG3 LYS A 121 19.127 5.599 -15.871 1.00 0.00 H new ATOM 0 HD2 LYS A 121 19.901 3.202 -15.668 1.00 0.00 H new ATOM 0 HD3 LYS A 121 19.178 2.876 -17.231 1.00 0.00 H new ATOM 0 HE2 LYS A 121 21.379 4.918 -16.705 1.00 0.00 H new ATOM 0 HE3 LYS A 121 21.625 3.320 -17.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 21.565 4.932 -19.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 20.181 3.956 -19.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 20.059 5.523 -18.599 1.00 0.00 H new ATOM 1914 N GLU A 122 15.498 3.376 -13.385 1.00 0.00 N ATOM 1915 CA GLU A 122 14.272 3.254 -12.601 1.00 0.00 C ATOM 1916 C GLU A 122 14.587 3.136 -11.090 1.00 0.00 C ATOM 1917 O GLU A 122 13.738 3.419 -10.259 1.00 0.00 O ATOM 1918 CB GLU A 122 13.460 2.085 -13.181 1.00 0.00 C ATOM 1919 CG GLU A 122 12.032 1.869 -12.649 1.00 0.00 C ATOM 1920 CD GLU A 122 10.953 2.811 -13.200 1.00 0.00 C ATOM 1921 OE1 GLU A 122 10.984 3.120 -14.416 1.00 0.00 O ATOM 1922 OE2 GLU A 122 9.979 3.104 -12.476 1.00 0.00 O ATOM 0 H GLU A 122 15.579 2.650 -14.097 1.00 0.00 H new ATOM 0 HA GLU A 122 13.658 4.152 -12.675 1.00 0.00 H new ATOM 0 HB2 GLU A 122 13.398 2.223 -14.260 1.00 0.00 H new ATOM 0 HB3 GLU A 122 14.024 1.168 -13.009 1.00 0.00 H new ATOM 0 HG2 GLU A 122 11.736 0.843 -12.869 1.00 0.00 H new ATOM 0 HG3 GLU A 122 12.052 1.969 -11.564 1.00 0.00 H new ATOM 1929 N LEU A 123 15.784 2.689 -10.709 1.00 0.00 N ATOM 1930 CA LEU A 123 16.267 2.556 -9.331 1.00 0.00 C ATOM 1931 C LEU A 123 16.746 3.879 -8.721 1.00 0.00 C ATOM 1932 O LEU A 123 16.856 3.964 -7.499 1.00 0.00 O ATOM 1933 CB LEU A 123 17.360 1.468 -9.333 1.00 0.00 C ATOM 1934 CG LEU A 123 17.775 0.756 -8.043 1.00 0.00 C ATOM 1935 CD1 LEU A 123 18.916 1.452 -7.312 1.00 0.00 C ATOM 1936 CD2 LEU A 123 16.613 0.411 -7.107 1.00 0.00 C ATOM 0 H LEU A 123 16.483 2.393 -11.391 1.00 0.00 H new ATOM 0 HA LEU A 123 15.442 2.260 -8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 123 17.039 0.696 -10.033 1.00 0.00 H new ATOM 0 HB3 LEU A 123 18.259 1.922 -9.749 1.00 0.00 H new ATOM 0 HG LEU A 123 18.162 -0.204 -8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 123 19.161 0.896 -6.407 1.00 0.00 H new ATOM 0 HD12 LEU A 123 19.791 1.494 -7.960 1.00 0.00 H new ATOM 0 HD13 LEU A 123 18.613 2.465 -7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 123 16.998 -0.091 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 123 16.099 1.326 -6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 123 15.914 -0.248 -7.622 1.00 0.00 H new ATOM 1948 N GLU A 124 17.129 4.875 -9.527 1.00 0.00 N ATOM 1949 CA GLU A 124 17.656 6.143 -9.034 1.00 0.00 C ATOM 1950 C GLU A 124 16.661 6.889 -8.147 1.00 0.00 C ATOM 1951 O GLU A 124 15.577 7.269 -8.582 1.00 0.00 O ATOM 1952 CB GLU A 124 18.040 7.091 -10.173 1.00 0.00 C ATOM 1953 CG GLU A 124 19.408 6.830 -10.808 1.00 0.00 C ATOM 1954 CD GLU A 124 20.095 8.182 -11.004 1.00 0.00 C ATOM 1955 OE1 GLU A 124 19.826 8.831 -12.045 1.00 0.00 O ATOM 1956 OE2 GLU A 124 20.774 8.635 -10.060 1.00 0.00 O ATOM 0 H GLU A 124 17.080 4.820 -10.544 1.00 0.00 H new ATOM 0 HA GLU A 124 18.537 5.867 -8.454 1.00 0.00 H new ATOM 0 HB2 GLU A 124 17.279 7.026 -10.950 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.022 8.113 -9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 124 20.010 6.184 -10.168 1.00 0.00 H new ATOM 0 HG3 GLU A 124 19.295 6.317 -11.763 1.00 0.00 H new ATOM 1963 N GLU A 125 17.087 7.224 -6.930 1.00 0.00 N ATOM 1964 CA GLU A 125 16.291 8.008 -5.997 1.00 0.00 C ATOM 1965 C GLU A 125 15.881 9.378 -6.537 1.00 0.00 C ATOM 1966 O GLU A 125 14.851 9.905 -6.130 1.00 0.00 O ATOM 1967 CB GLU A 125 17.024 8.155 -4.661 1.00 0.00 C ATOM 1968 CG GLU A 125 16.829 6.914 -3.793 1.00 0.00 C ATOM 1969 CD GLU A 125 15.533 7.009 -3.000 1.00 0.00 C ATOM 1970 OE1 GLU A 125 15.479 7.865 -2.089 1.00 0.00 O ATOM 1971 OE2 GLU A 125 14.578 6.246 -3.242 1.00 0.00 O ATOM 0 H GLU A 125 18.001 6.956 -6.565 1.00 0.00 H new ATOM 0 HA GLU A 125 15.365 7.453 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 125 18.087 8.315 -4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 125 16.654 9.034 -4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 125 16.812 6.024 -4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 125 17.672 6.806 -3.110 1.00 0.00 H new ATOM 1978 N ASP A 126 16.665 9.939 -7.458 1.00 0.00 N ATOM 1979 CA ASP A 126 16.429 11.207 -8.129 1.00 0.00 C ATOM 1980 C ASP A 126 15.010 11.289 -8.664 1.00 0.00 C ATOM 1981 O ASP A 126 14.200 12.054 -8.127 1.00 0.00 O ATOM 1982 CB ASP A 126 17.513 11.380 -9.214 1.00 0.00 C ATOM 1983 CG ASP A 126 17.160 12.359 -10.341 1.00 0.00 C ATOM 1984 OD1 ASP A 126 16.523 13.398 -10.099 1.00 0.00 O ATOM 1985 OD2 ASP A 126 17.505 12.024 -11.503 1.00 0.00 O ATOM 0 H ASP A 126 17.528 9.492 -7.769 1.00 0.00 H new ATOM 0 HA ASP A 126 16.511 12.039 -7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 126 18.432 11.718 -8.736 1.00 0.00 H new ATOM 0 HB3 ASP A 126 17.723 10.405 -9.654 1.00 0.00 H new ATOM 1990 N PHE A 127 14.663 10.455 -9.650 1.00 0.00 N ATOM 1991 CA PHE A 127 13.327 10.608 -10.208 1.00 0.00 C ATOM 1992 C PHE A 127 12.315 9.962 -9.251 1.00 0.00 C ATOM 1993 O PHE A 127 11.155 10.351 -9.298 1.00 0.00 O ATOM 1994 CB PHE A 127 13.169 10.048 -11.625 1.00 0.00 C ATOM 1995 CG PHE A 127 12.945 8.562 -11.663 1.00 0.00 C ATOM 1996 CD1 PHE A 127 13.937 7.678 -11.229 1.00 0.00 C ATOM 1997 CD2 PHE A 127 11.646 8.091 -11.951 1.00 0.00 C ATOM 1998 CE1 PHE A 127 13.611 6.332 -11.044 1.00 0.00 C ATOM 1999 CE2 PHE A 127 11.333 6.736 -11.801 1.00 0.00 C ATOM 2000 CZ PHE A 127 12.313 5.859 -11.323 1.00 0.00 C ATOM 0 H PHE A 127 15.244 9.719 -10.052 1.00 0.00 H new ATOM 0 HA PHE A 127 13.141 11.677 -10.306 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.331 10.546 -12.112 1.00 0.00 H new ATOM 0 HB3 PHE A 127 14.062 10.287 -12.203 1.00 0.00 H new ATOM 0 HD1 PHE A 127 14.940 8.030 -11.040 1.00 0.00 H new ATOM 0 HD2 PHE A 127 10.888 8.782 -12.290 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.363 5.646 -10.683 1.00 0.00 H new ATOM 0 HE2 PHE A 127 10.348 6.371 -12.051 1.00 0.00 H new ATOM 0 HZ PHE A 127 12.074 4.817 -11.168 1.00 0.00 H new ATOM 2010 N ILE A 128 12.721 9.028 -8.372 1.00 0.00 N ATOM 2011 CA ILE A 128 11.837 8.418 -7.365 1.00 0.00 C ATOM 2012 C ILE A 128 11.215 9.549 -6.542 1.00 0.00 C ATOM 2013 O ILE A 128 10.015 9.497 -6.275 1.00 0.00 O ATOM 2014 CB ILE A 128 12.547 7.336 -6.523 1.00 0.00 C ATOM 2015 CG1 ILE A 128 12.793 6.092 -7.406 1.00 0.00 C ATOM 2016 CG2 ILE A 128 11.760 6.944 -5.257 1.00 0.00 C ATOM 2017 CD1 ILE A 128 13.663 5.006 -6.772 1.00 0.00 C ATOM 0 H ILE A 128 13.677 8.674 -8.341 1.00 0.00 H new ATOM 0 HA ILE A 128 11.036 7.864 -7.854 1.00 0.00 H new ATOM 0 HB ILE A 128 13.493 7.754 -6.179 1.00 0.00 H new ATOM 0 HG12 ILE A 128 11.829 5.656 -7.668 1.00 0.00 H new ATOM 0 HG13 ILE A 128 13.261 6.413 -8.336 1.00 0.00 H new ATOM 0 HG21 ILE A 128 12.311 6.180 -4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 128 11.628 7.822 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 128 10.783 6.553 -5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 128 13.776 4.177 -7.470 1.00 0.00 H new ATOM 0 HD12 ILE A 128 14.644 5.418 -6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 128 13.190 4.649 -5.857 1.00 0.00 H new ATOM 2029 N LYS A 129 11.980 10.577 -6.138 1.00 0.00 N ATOM 2030 CA LYS A 129 11.398 11.730 -5.451 1.00 0.00 C ATOM 2031 C LYS A 129 10.258 12.343 -6.260 1.00 0.00 C ATOM 2032 O LYS A 129 9.166 12.520 -5.715 1.00 0.00 O ATOM 2033 CB LYS A 129 12.433 12.805 -5.042 1.00 0.00 C ATOM 2034 CG LYS A 129 13.246 12.590 -3.754 1.00 0.00 C ATOM 2035 CD LYS A 129 14.286 11.473 -3.666 1.00 0.00 C ATOM 2036 CE LYS A 129 14.821 11.458 -2.227 1.00 0.00 C ATOM 2037 NZ LYS A 129 15.917 10.494 -2.023 1.00 0.00 N ATOM 0 H LYS A 129 12.989 10.629 -6.275 1.00 0.00 H new ATOM 0 HA LYS A 129 10.992 11.339 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 129 13.139 12.915 -5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.905 13.754 -4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.762 13.526 -3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 129 12.532 12.428 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.839 10.512 -3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.096 11.645 -4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.172 12.457 -1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 129 14.005 11.219 -1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.290 10.592 -1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.559 9.527 -2.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.677 10.682 -2.708 1.00 0.00 H new ATOM 2051 N SER A 130 10.487 12.699 -7.524 1.00 0.00 N ATOM 2052 CA SER A 130 9.455 13.331 -8.333 1.00 0.00 C ATOM 2053 C SER A 130 8.304 12.357 -8.620 1.00 0.00 C ATOM 2054 O SER A 130 7.153 12.777 -8.601 1.00 0.00 O ATOM 2055 CB SER A 130 10.076 13.923 -9.595 1.00 0.00 C ATOM 2056 OG SER A 130 9.108 14.535 -10.424 1.00 0.00 O ATOM 0 H SER A 130 11.376 12.560 -8.005 1.00 0.00 H new ATOM 0 HA SER A 130 9.011 14.157 -7.777 1.00 0.00 H new ATOM 0 HB2 SER A 130 10.832 14.657 -9.317 1.00 0.00 H new ATOM 0 HB3 SER A 130 10.585 13.136 -10.152 1.00 0.00 H new ATOM 0 HG SER A 130 9.545 14.903 -11.220 1.00 0.00 H new ATOM 2062 N GLU A 131 8.561 11.066 -8.825 1.00 0.00 N ATOM 2063 CA GLU A 131 7.550 10.033 -9.041 1.00 0.00 C ATOM 2064 C GLU A 131 6.653 9.935 -7.808 1.00 0.00 C ATOM 2065 O GLU A 131 5.433 9.989 -7.935 1.00 0.00 O ATOM 2066 CB GLU A 131 8.245 8.706 -9.384 1.00 0.00 C ATOM 2067 CG GLU A 131 7.346 7.457 -9.381 1.00 0.00 C ATOM 2068 CD GLU A 131 6.038 7.578 -10.161 1.00 0.00 C ATOM 2069 OE1 GLU A 131 6.061 8.124 -11.288 1.00 0.00 O ATOM 2070 OE2 GLU A 131 5.006 7.015 -9.726 1.00 0.00 O ATOM 0 H GLU A 131 9.512 10.698 -8.846 1.00 0.00 H new ATOM 0 HA GLU A 131 6.908 10.288 -9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.700 8.800 -10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 131 9.056 8.548 -8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 131 7.915 6.622 -9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 131 7.109 7.206 -8.347 1.00 0.00 H new ATOM 2077 N LEU A 132 7.233 9.851 -6.608 1.00 0.00 N ATOM 2078 CA LEU A 132 6.473 9.815 -5.365 1.00 0.00 C ATOM 2079 C LEU A 132 5.704 11.120 -5.177 1.00 0.00 C ATOM 2080 O LEU A 132 4.582 11.080 -4.662 1.00 0.00 O ATOM 2081 CB LEU A 132 7.395 9.477 -4.178 1.00 0.00 C ATOM 2082 CG LEU A 132 7.852 8.000 -4.198 1.00 0.00 C ATOM 2083 CD1 LEU A 132 8.935 7.801 -3.142 1.00 0.00 C ATOM 2084 CD2 LEU A 132 6.716 7.010 -3.913 1.00 0.00 C ATOM 0 H LEU A 132 8.243 9.806 -6.475 1.00 0.00 H new ATOM 0 HA LEU A 132 5.730 9.019 -5.414 1.00 0.00 H new ATOM 0 HB2 LEU A 132 8.270 10.127 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 132 6.872 9.682 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 132 8.221 7.798 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 132 9.263 6.762 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 132 9.782 8.451 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 132 8.534 8.048 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 132 7.105 5.992 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.297 7.211 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.937 7.123 -4.667 1.00 0.00 H new ATOM 2096 N LYS A 133 6.269 12.271 -5.572 1.00 0.00 N ATOM 2097 CA LYS A 133 5.567 13.556 -5.528 1.00 0.00 C ATOM 2098 C LYS A 133 4.347 13.460 -6.445 1.00 0.00 C ATOM 2099 O LYS A 133 3.230 13.669 -5.986 1.00 0.00 O ATOM 2100 CB LYS A 133 6.480 14.742 -5.920 1.00 0.00 C ATOM 2101 CG LYS A 133 7.388 15.250 -4.786 1.00 0.00 C ATOM 2102 CD LYS A 133 7.931 16.661 -5.074 1.00 0.00 C ATOM 2103 CE LYS A 133 8.916 16.718 -6.253 1.00 0.00 C ATOM 2104 NZ LYS A 133 9.060 18.093 -6.777 1.00 0.00 N ATOM 0 H LYS A 133 7.222 12.334 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 133 5.252 13.757 -4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 133 7.104 14.441 -6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 133 5.856 15.566 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 133 6.829 15.260 -3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 133 8.222 14.561 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 133 7.093 17.327 -5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 133 8.427 17.039 -4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 133 9.889 16.346 -5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 133 8.570 16.059 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 9.850 18.126 -7.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 8.182 18.375 -7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 9.249 18.746 -5.990 1.00 0.00 H new ATOM 2118 N LYS A 134 4.552 13.110 -7.716 1.00 0.00 N ATOM 2119 CA LYS A 134 3.551 12.994 -8.777 1.00 0.00 C ATOM 2120 C LYS A 134 2.429 12.032 -8.386 1.00 0.00 C ATOM 2121 O LYS A 134 1.251 12.393 -8.459 1.00 0.00 O ATOM 2122 CB LYS A 134 4.256 12.553 -10.078 1.00 0.00 C ATOM 2123 CG LYS A 134 4.987 13.721 -10.761 1.00 0.00 C ATOM 2124 CD LYS A 134 5.840 13.258 -11.951 1.00 0.00 C ATOM 2125 CE LYS A 134 6.439 14.451 -12.715 1.00 0.00 C ATOM 2126 NZ LYS A 134 5.496 15.039 -13.689 1.00 0.00 N ATOM 0 H LYS A 134 5.487 12.884 -8.054 1.00 0.00 H new ATOM 0 HA LYS A 134 3.079 13.963 -8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.970 11.760 -9.853 1.00 0.00 H new ATOM 0 HB3 LYS A 134 3.521 12.134 -10.765 1.00 0.00 H new ATOM 0 HG2 LYS A 134 4.256 14.454 -11.104 1.00 0.00 H new ATOM 0 HG3 LYS A 134 5.624 14.223 -10.033 1.00 0.00 H new ATOM 0 HD2 LYS A 134 6.643 12.613 -11.595 1.00 0.00 H new ATOM 0 HD3 LYS A 134 5.228 12.662 -12.628 1.00 0.00 H new ATOM 0 HE2 LYS A 134 6.743 15.218 -12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 134 7.339 14.127 -13.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 5.952 15.838 -14.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 5.225 14.318 -14.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 4.647 15.375 -13.191 1.00 0.00 H new ATOM 2140 N ALA A 135 2.756 10.812 -7.962 1.00 0.00 N ATOM 2141 CA ALA A 135 1.762 9.837 -7.534 1.00 0.00 C ATOM 2142 C ALA A 135 1.031 10.289 -6.264 1.00 0.00 C ATOM 2143 O ALA A 135 -0.115 9.882 -6.040 1.00 0.00 O ATOM 2144 CB ALA A 135 2.444 8.488 -7.297 1.00 0.00 C ATOM 0 H ALA A 135 3.717 10.475 -7.907 1.00 0.00 H new ATOM 0 HA ALA A 135 1.016 9.743 -8.323 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.702 7.757 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.912 8.149 -8.221 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.205 8.596 -6.524 1.00 0.00 H new ATOM 2150 N GLY A 136 1.672 11.130 -5.449 1.00 0.00 N ATOM 2151 CA GLY A 136 1.167 11.602 -4.175 1.00 0.00 C ATOM 2152 C GLY A 136 0.247 12.812 -4.299 1.00 0.00 C ATOM 2153 O GLY A 136 -0.729 12.896 -3.548 1.00 0.00 O ATOM 0 H GLY A 136 2.591 11.510 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 136 0.626 10.793 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 136 2.009 11.859 -3.532 1.00 0.00 H new ATOM 2157 N GLY A 137 0.530 13.750 -5.203 1.00 0.00 N ATOM 2158 CA GLY A 137 -0.215 14.988 -5.371 1.00 0.00 C ATOM 2159 C GLY A 137 0.194 15.716 -6.648 1.00 0.00 C ATOM 2160 O GLY A 137 1.038 15.236 -7.406 1.00 0.00 O ATOM 0 H GLY A 137 1.309 13.662 -5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -1.283 14.771 -5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -0.045 15.636 -4.511 1.00 0.00 H new ATOM 2164 N ALA A 138 -0.442 16.856 -6.926 1.00 0.00 N ATOM 2165 CA ALA A 138 -0.087 17.699 -8.062 1.00 0.00 C ATOM 2166 C ALA A 138 1.351 18.163 -7.840 1.00 0.00 C ATOM 2167 O ALA A 138 1.636 18.775 -6.812 1.00 0.00 O ATOM 2168 CB ALA A 138 -1.062 18.876 -8.180 1.00 0.00 C ATOM 0 H ALA A 138 -1.216 17.218 -6.369 1.00 0.00 H new ATOM 0 HA ALA A 138 -0.156 17.151 -9.002 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -0.783 19.495 -9.033 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -2.074 18.497 -8.322 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -1.023 19.474 -7.269 1.00 0.00 H new ATOM 2174 N ASN A 139 2.257 17.814 -8.753 1.00 0.00 N ATOM 2175 CA ASN A 139 3.670 18.149 -8.656 1.00 0.00 C ATOM 2176 C ASN A 139 3.944 19.284 -9.631 1.00 0.00 C ATOM 2177 O ASN A 139 3.930 19.069 -10.844 1.00 0.00 O ATOM 2178 CB ASN A 139 4.560 16.932 -8.950 1.00 0.00 C ATOM 2179 CG ASN A 139 6.040 17.281 -8.792 1.00 0.00 C ATOM 2180 OD1 ASN A 139 6.430 17.971 -7.857 1.00 0.00 O ATOM 2181 ND2 ASN A 139 6.908 16.772 -9.650 1.00 0.00 N ATOM 0 H ASN A 139 2.022 17.283 -9.592 1.00 0.00 H new ATOM 0 HA ASN A 139 3.909 18.461 -7.639 1.00 0.00 H new ATOM 0 HB2 ASN A 139 4.301 16.117 -8.274 1.00 0.00 H new ATOM 0 HB3 ASN A 139 4.373 16.577 -9.964 1.00 0.00 H new ATOM 0 HD21 ASN A 139 7.905 16.953 -9.535 1.00 0.00 H new ATOM 0 HD22 ASN A 139 6.580 16.198 -10.427 1.00 0.00 H new ATOM 2188 N TYR A 140 4.111 20.485 -9.099 1.00 0.00 N ATOM 2189 CA TYR A 140 4.467 21.699 -9.798 1.00 0.00 C ATOM 2190 C TYR A 140 5.766 22.016 -9.089 1.00 0.00 C ATOM 2191 O TYR A 140 5.774 22.336 -7.902 1.00 0.00 O ATOM 2192 CB TYR A 140 3.385 22.777 -9.667 1.00 0.00 C ATOM 2193 CG TYR A 140 2.028 22.417 -10.256 1.00 0.00 C ATOM 2194 CD1 TYR A 140 1.914 21.634 -11.425 1.00 0.00 C ATOM 2195 CD2 TYR A 140 0.862 22.904 -9.636 1.00 0.00 C ATOM 2196 CE1 TYR A 140 0.651 21.329 -11.960 1.00 0.00 C ATOM 2197 CE2 TYR A 140 -0.406 22.619 -10.173 1.00 0.00 C ATOM 2198 CZ TYR A 140 -0.514 21.830 -11.340 1.00 0.00 C ATOM 2199 OH TYR A 140 -1.738 21.566 -11.878 1.00 0.00 O ATOM 0 H TYR A 140 3.992 20.642 -8.098 1.00 0.00 H new ATOM 0 HA TYR A 140 4.565 21.623 -10.881 1.00 0.00 H new ATOM 0 HB2 TYR A 140 3.253 23.009 -8.610 1.00 0.00 H new ATOM 0 HB3 TYR A 140 3.742 23.686 -10.150 1.00 0.00 H new ATOM 0 HD1 TYR A 140 2.805 21.266 -11.912 1.00 0.00 H new ATOM 0 HD2 TYR A 140 0.942 23.502 -8.740 1.00 0.00 H new ATOM 0 HE1 TYR A 140 0.572 20.713 -12.843 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -1.295 23.002 -9.695 1.00 0.00 H new ATOM 0 HH TYR A 140 -2.434 21.983 -11.328 1.00 0.00 H new ATOM 2209 N ASP A 141 6.848 21.738 -9.790 1.00 0.00 N ATOM 2210 CA ASP A 141 8.218 21.845 -9.327 1.00 0.00 C ATOM 2211 C ASP A 141 8.812 22.901 -10.253 1.00 0.00 C ATOM 2212 O ASP A 141 8.902 22.655 -11.456 1.00 0.00 O ATOM 2213 CB ASP A 141 8.801 20.432 -9.480 1.00 0.00 C ATOM 2214 CG ASP A 141 10.014 20.116 -8.625 1.00 0.00 C ATOM 2215 OD1 ASP A 141 10.072 20.589 -7.470 1.00 0.00 O ATOM 2216 OD2 ASP A 141 10.531 19.001 -8.863 1.00 0.00 O ATOM 0 H ASP A 141 6.791 21.412 -10.755 1.00 0.00 H new ATOM 0 HA ASP A 141 8.395 22.148 -8.295 1.00 0.00 H new ATOM 0 HB2 ASP A 141 8.018 19.710 -9.246 1.00 0.00 H new ATOM 0 HB3 ASP A 141 9.070 20.283 -10.526 1.00 0.00 H new ATOM 2221 N ALA A 142 9.072 24.100 -9.727 1.00 0.00 N ATOM 2222 CA ALA A 142 9.547 25.273 -10.452 1.00 0.00 C ATOM 2223 C ALA A 142 10.731 25.899 -9.725 1.00 0.00 C ATOM 2224 O ALA A 142 10.714 26.025 -8.499 1.00 0.00 O ATOM 2225 CB ALA A 142 8.403 26.287 -10.575 1.00 0.00 C ATOM 0 H ALA A 142 8.949 24.285 -8.731 1.00 0.00 H new ATOM 0 HA ALA A 142 9.875 24.975 -11.448 1.00 0.00 H new ATOM 0 HB1 ALA A 142 8.753 27.166 -11.116 1.00 0.00 H new ATOM 0 HB2 ALA A 142 7.572 25.834 -11.116 1.00 0.00 H new ATOM 0 HB3 ALA A 142 8.070 26.582 -9.580 1.00 0.00 H new ATOM 2231 N GLN A 143 11.757 26.283 -10.475 1.00 0.00 N ATOM 2232 CA GLN A 143 13.017 26.871 -10.024 1.00 0.00 C ATOM 2233 C GLN A 143 12.856 28.365 -9.680 1.00 0.00 C ATOM 2234 O GLN A 143 13.863 29.075 -9.626 1.00 0.00 O ATOM 2235 CB GLN A 143 14.061 26.713 -11.150 1.00 0.00 C ATOM 2236 CG GLN A 143 14.230 25.292 -11.720 1.00 0.00 C ATOM 2237 CD GLN A 143 14.904 25.328 -13.088 1.00 0.00 C ATOM 2238 OE1 GLN A 143 16.095 25.058 -13.217 1.00 0.00 O ATOM 2239 NE2 GLN A 143 14.157 25.663 -14.125 1.00 0.00 N ATOM 0 H GLN A 143 11.730 26.185 -11.490 1.00 0.00 H new ATOM 0 HA GLN A 143 13.339 26.355 -9.119 1.00 0.00 H new ATOM 0 HB2 GLN A 143 13.788 27.381 -11.967 1.00 0.00 H new ATOM 0 HB3 GLN A 143 15.027 27.049 -10.773 1.00 0.00 H new ATOM 0 HG2 GLN A 143 14.825 24.689 -11.033 1.00 0.00 H new ATOM 0 HG3 GLN A 143 13.255 24.812 -11.803 1.00 0.00 H new ATOM 0 HE21 GLN A 143 13.170 25.883 -13.993 1.00 0.00 H new ATOM 0 HE22 GLN A 143 14.567 25.702 -15.058 1.00 0.00 H new ATOM 2248 N THR A 144 11.649 28.815 -9.320 1.00 0.00 N ATOM 2249 CA THR A 144 11.231 30.199 -9.059 1.00 0.00 C ATOM 2250 C THR A 144 10.849 30.777 -10.429 1.00 0.00 C ATOM 2251 O THR A 144 11.420 31.747 -10.919 1.00 0.00 O ATOM 2252 CB THR A 144 12.281 31.055 -8.297 1.00 0.00 C ATOM 2253 OG1 THR A 144 12.904 30.304 -7.277 1.00 0.00 O ATOM 2254 CG2 THR A 144 11.651 32.288 -7.637 1.00 0.00 C ATOM 0 H THR A 144 10.873 28.166 -9.193 1.00 0.00 H new ATOM 0 HA THR A 144 10.386 30.217 -8.370 1.00 0.00 H new ATOM 0 HB THR A 144 13.009 31.370 -9.045 1.00 0.00 H new ATOM 0 HG1 THR A 144 13.561 30.864 -6.814 1.00 0.00 H new ATOM 0 HG21 THR A 144 12.422 32.856 -7.116 1.00 0.00 H new ATOM 0 HG22 THR A 144 11.192 32.915 -8.401 1.00 0.00 H new ATOM 0 HG23 THR A 144 10.890 31.970 -6.924 1.00 0.00 H new ATOM 2262 N GLU A 145 9.906 30.087 -11.075 1.00 0.00 N ATOM 2263 CA GLU A 145 9.348 30.303 -12.395 1.00 0.00 C ATOM 2264 C GLU A 145 7.836 30.343 -12.171 1.00 0.00 C ATOM 2265 O GLU A 145 7.159 31.096 -12.897 1.00 0.00 O ATOM 2266 CB GLU A 145 9.743 29.140 -13.339 1.00 0.00 C ATOM 2267 CG GLU A 145 11.257 28.921 -13.524 1.00 0.00 C ATOM 2268 CD GLU A 145 11.585 27.523 -14.071 1.00 0.00 C ATOM 2269 OE1 GLU A 145 11.574 26.554 -13.270 1.00 0.00 O ATOM 2270 OE2 GLU A 145 11.945 27.397 -15.262 1.00 0.00 O ATOM 2271 OXT GLU A 145 7.392 29.640 -11.228 1.00 0.00 O ATOM 0 H GLU A 145 9.474 29.277 -10.630 1.00 0.00 H new ATOM 0 HA GLU A 145 9.713 31.217 -12.864 1.00 0.00 H new ATOM 0 HB2 GLU A 145 9.305 28.219 -12.955 1.00 0.00 H new ATOM 0 HB3 GLU A 145 9.298 29.322 -14.317 1.00 0.00 H new ATOM 0 HG2 GLU A 145 11.650 29.676 -14.205 1.00 0.00 H new ATOM 0 HG3 GLU A 145 11.761 29.061 -12.568 1.00 0.00 H new TER 2278 GLU A 145