USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 706 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 50 THR OG1 : rot -76:sc= 0.621 USER MOD Set 1.2: A 54 ASN : amide:sc= -3.4! C(o=-4.6!,f=-6.4!) USER MOD Set 1.3: A 69 CYS SG : rot -74:sc= -1.83 USER MOD Set 2.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 70 THR OG1 : rot -32:sc= 0.336 USER MOD Single : A 1 MET CE :methyl -119:sc= -0.368 (180deg=-3.44!) USER MOD Single : A 1 MET N :NH3+ -171:sc=-0.00784 (180deg=-0.133) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0571) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.274 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= 2.24 (180deg=1.07) USER MOD Single : A 17 LYS NZ :NH3+ -147:sc= 1.19 (180deg=0.627) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.0639 K(o=-0.064,f=-4.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 110:sc= 0.5 USER MOD Single : A 26 ASN : amide:sc= -2.22! C(o=-2.2!,f=-8.8!) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 0.424 (180deg=0.318) USER MOD Single : A 32 SER OG : rot 108:sc= 0.221 USER MOD Single : A 33 LYS NZ :NH3+ -141:sc= 0.582 (180deg=0.114) USER MOD Single : A 38 SER OG : rot -87:sc= 1.27 USER MOD Single : A 39 ASN : amide:sc= 1.21 K(o=1.2,f=-0.047) USER MOD Single : A 42 SER OG : rot 64:sc= 1.24 USER MOD Single : A 45 TYR OH : rot 90:sc= 1.12 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -161:sc= -1.78! USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0.864 (180deg=0.484) USER MOD Single : A 59 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.4) USER MOD Single : A 61 MET CE :methyl 167:sc= -0.433 (180deg=-1.22) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -33:sc= 0.278 USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0158) USER MOD Single : A 72 ASN :FLIP amide:sc= -2.03 F(o=-7.2!,f=-2) USER MOD Single : A 75 LYS NZ :NH3+ -151:sc= -1.8! (180deg=-3.16!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS :FLIP no HD1:sc= -0.546 F(o=-1.4,f=-0.55) USER MOD Single : A 82 HIS : no HE2:sc= 1.01 K(o=1,f=-5.6!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.12) USER MOD Single : A 85 HIS :FLIP no HD1:sc= -0.0663 F(o=-0.61,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.474 -2.943 2.036 1.00 0.00 N ATOM 2 CA MET A 1 -24.043 -3.090 1.691 1.00 0.00 C ATOM 3 C MET A 1 -23.185 -2.697 2.885 1.00 0.00 C ATOM 4 O MET A 1 -23.318 -1.598 3.421 1.00 0.00 O ATOM 5 CB MET A 1 -23.683 -2.216 0.485 1.00 0.00 C ATOM 6 CG MET A 1 -24.535 -2.488 -0.745 1.00 0.00 C ATOM 7 SD MET A 1 -24.448 -4.204 -1.298 1.00 0.00 S ATOM 8 CE MET A 1 -22.744 -4.313 -1.839 1.00 0.00 C ATOM 0 H1 MET A 1 -26.057 -3.354 1.279 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.668 -3.438 2.930 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.704 -1.934 2.142 1.00 0.00 H new ATOM 0 HA MET A 1 -23.854 -4.132 1.432 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.788 -1.167 0.764 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.635 -2.376 0.232 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.572 -2.235 -0.525 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.213 -1.834 -1.555 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.714 -4.558 -2.901 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.248 -3.357 -1.673 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.231 -5.091 -1.273 1.00 0.00 H new ATOM 20 N HIS A 2 -22.313 -3.601 3.305 1.00 0.00 N ATOM 21 CA HIS A 2 -21.454 -3.359 4.460 1.00 0.00 C ATOM 22 C HIS A 2 -20.293 -2.440 4.092 1.00 0.00 C ATOM 23 O HIS A 2 -19.977 -2.259 2.915 1.00 0.00 O ATOM 24 CB HIS A 2 -20.895 -4.676 5.016 1.00 0.00 C ATOM 25 CG HIS A 2 -21.931 -5.603 5.581 1.00 0.00 C ATOM 26 ND1 HIS A 2 -22.050 -5.876 6.929 1.00 0.00 N ATOM 27 CD2 HIS A 2 -22.886 -6.341 4.969 1.00 0.00 C ATOM 28 CE1 HIS A 2 -23.030 -6.740 7.115 1.00 0.00 C ATOM 29 NE2 HIS A 2 -23.552 -7.039 5.943 1.00 0.00 N ATOM 0 H HIS A 2 -22.180 -4.511 2.864 1.00 0.00 H new ATOM 0 HA HIS A 2 -22.066 -2.879 5.224 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -20.359 -5.193 4.220 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -20.167 -4.447 5.795 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -23.087 -6.374 3.908 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -23.350 -7.135 8.068 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -24.326 -7.685 5.786 1.00 0.00 H new ATOM 38 N LYS A 3 -19.672 -1.856 5.103 1.00 0.00 N ATOM 39 CA LYS A 3 -18.474 -1.057 4.909 1.00 0.00 C ATOM 40 C LYS A 3 -17.362 -1.605 5.787 1.00 0.00 C ATOM 41 O LYS A 3 -17.499 -1.673 7.010 1.00 0.00 O ATOM 42 CB LYS A 3 -18.729 0.418 5.227 1.00 0.00 C ATOM 43 CG LYS A 3 -19.847 1.034 4.402 1.00 0.00 C ATOM 44 CD LYS A 3 -19.815 2.549 4.462 1.00 0.00 C ATOM 45 CE LYS A 3 -20.965 3.159 3.679 1.00 0.00 C ATOM 46 NZ LYS A 3 -22.279 2.939 4.343 1.00 0.00 N ATOM 0 H LYS A 3 -19.981 -1.921 6.073 1.00 0.00 H new ATOM 0 HA LYS A 3 -18.179 -1.118 3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.973 0.516 6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.811 0.981 5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.757 0.708 3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.809 0.675 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.867 2.875 5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.868 2.911 4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.794 4.229 3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -20.989 2.728 2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -23.013 3.485 3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -22.519 1.928 4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -22.224 3.251 5.334 1.00 0.00 H new ATOM 60 N ASP A 4 -16.273 -2.015 5.166 1.00 0.00 N ATOM 61 CA ASP A 4 -15.201 -2.677 5.888 1.00 0.00 C ATOM 62 C ASP A 4 -13.843 -2.126 5.473 1.00 0.00 C ATOM 63 O ASP A 4 -13.702 -1.562 4.391 1.00 0.00 O ATOM 64 CB ASP A 4 -15.264 -4.188 5.641 1.00 0.00 C ATOM 65 CG ASP A 4 -14.319 -4.965 6.531 1.00 0.00 C ATOM 66 OD1 ASP A 4 -14.173 -4.597 7.718 1.00 0.00 O ATOM 67 OD2 ASP A 4 -13.726 -5.954 6.056 1.00 0.00 O ATOM 0 H ASP A 4 -16.106 -1.902 4.166 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.329 -2.484 6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.283 -4.537 5.808 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.024 -4.392 4.597 1.00 0.00 H new ATOM 72 N ILE A 5 -12.863 -2.267 6.352 1.00 0.00 N ATOM 73 CA ILE A 5 -11.501 -1.842 6.072 1.00 0.00 C ATOM 74 C ILE A 5 -10.931 -2.648 4.911 1.00 0.00 C ATOM 75 O ILE A 5 -10.687 -3.850 5.031 1.00 0.00 O ATOM 76 CB ILE A 5 -10.594 -2.006 7.316 1.00 0.00 C ATOM 77 CG1 ILE A 5 -11.121 -1.153 8.476 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.153 -1.633 6.989 1.00 0.00 C ATOM 79 CD1 ILE A 5 -11.132 0.334 8.189 1.00 0.00 C ATOM 0 H ILE A 5 -12.989 -2.678 7.277 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.527 -0.786 5.805 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.612 -3.053 7.618 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.134 -1.474 8.719 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.508 -1.338 9.358 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.535 -1.756 7.878 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.781 -2.281 6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.112 -0.595 6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.518 0.869 9.057 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.117 0.671 7.976 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.769 0.534 7.327 1.00 0.00 H new ATOM 91 N PHE A 6 -10.742 -1.984 3.785 1.00 0.00 N ATOM 92 CA PHE A 6 -10.251 -2.645 2.590 1.00 0.00 C ATOM 93 C PHE A 6 -8.754 -2.899 2.696 1.00 0.00 C ATOM 94 O PHE A 6 -7.947 -1.974 2.622 1.00 0.00 O ATOM 95 CB PHE A 6 -10.561 -1.801 1.353 1.00 0.00 C ATOM 96 CG PHE A 6 -10.162 -2.444 0.055 1.00 0.00 C ATOM 97 CD1 PHE A 6 -10.902 -3.494 -0.468 1.00 0.00 C ATOM 98 CD2 PHE A 6 -9.055 -1.993 -0.648 1.00 0.00 C ATOM 99 CE1 PHE A 6 -10.545 -4.081 -1.667 1.00 0.00 C ATOM 100 CE2 PHE A 6 -8.694 -2.579 -1.846 1.00 0.00 C ATOM 101 CZ PHE A 6 -9.440 -3.624 -2.356 1.00 0.00 C ATOM 0 H PHE A 6 -10.921 -0.986 3.673 1.00 0.00 H new ATOM 0 HA PHE A 6 -10.757 -3.606 2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.630 -1.591 1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.050 -0.842 1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.767 -3.857 0.068 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.469 -1.175 -0.255 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -11.130 -4.897 -2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.829 -2.220 -2.384 1.00 0.00 H new ATOM 0 HZ PHE A 6 -9.159 -4.083 -3.293 1.00 0.00 H new ATOM 111 N THR A 7 -8.394 -4.154 2.900 1.00 0.00 N ATOM 112 CA THR A 7 -6.998 -4.539 2.918 1.00 0.00 C ATOM 113 C THR A 7 -6.683 -5.378 1.687 1.00 0.00 C ATOM 114 O THR A 7 -7.446 -6.279 1.337 1.00 0.00 O ATOM 115 CB THR A 7 -6.633 -5.328 4.196 1.00 0.00 C ATOM 116 OG1 THR A 7 -7.445 -6.506 4.316 1.00 0.00 O ATOM 117 CG2 THR A 7 -6.810 -4.464 5.434 1.00 0.00 C ATOM 0 H THR A 7 -9.049 -4.921 3.055 1.00 0.00 H new ATOM 0 HA THR A 7 -6.401 -3.627 2.911 1.00 0.00 H new ATOM 0 HB THR A 7 -5.587 -5.622 4.115 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.198 -6.992 5.130 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.547 -5.041 6.321 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.162 -3.591 5.364 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.848 -4.140 5.506 1.00 0.00 H new ATOM 125 N SER A 8 -5.581 -5.077 1.025 1.00 0.00 N ATOM 126 CA SER A 8 -5.216 -5.772 -0.200 1.00 0.00 C ATOM 127 C SER A 8 -3.703 -5.726 -0.386 1.00 0.00 C ATOM 128 O SER A 8 -2.973 -5.376 0.536 1.00 0.00 O ATOM 129 CB SER A 8 -5.928 -5.127 -1.398 1.00 0.00 C ATOM 130 OG SER A 8 -5.807 -5.922 -2.569 1.00 0.00 O ATOM 0 H SER A 8 -4.921 -4.355 1.314 1.00 0.00 H new ATOM 0 HA SER A 8 -5.528 -6.814 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.983 -4.985 -1.162 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.507 -4.139 -1.583 1.00 0.00 H new ATOM 0 HG SER A 8 -6.273 -5.484 -3.312 1.00 0.00 H new ATOM 136 N VAL A 9 -3.239 -6.079 -1.572 1.00 0.00 N ATOM 137 CA VAL A 9 -1.821 -6.035 -1.878 1.00 0.00 C ATOM 138 C VAL A 9 -1.583 -5.192 -3.129 1.00 0.00 C ATOM 139 O VAL A 9 -2.283 -5.340 -4.134 1.00 0.00 O ATOM 140 CB VAL A 9 -1.233 -7.456 -2.066 1.00 0.00 C ATOM 141 CG1 VAL A 9 -1.924 -8.197 -3.203 1.00 0.00 C ATOM 142 CG2 VAL A 9 0.269 -7.395 -2.300 1.00 0.00 C ATOM 0 H VAL A 9 -3.827 -6.400 -2.341 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.309 -5.576 -1.032 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.415 -8.012 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.488 -9.190 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.988 -8.289 -2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.792 -7.642 -4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.658 -8.405 -2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.474 -6.810 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.752 -6.927 -1.442 1.00 0.00 H new ATOM 152 N VAL A 10 -0.623 -4.286 -3.056 1.00 0.00 N ATOM 153 CA VAL A 10 -0.302 -3.437 -4.189 1.00 0.00 C ATOM 154 C VAL A 10 1.096 -3.757 -4.704 1.00 0.00 C ATOM 155 O VAL A 10 1.968 -4.183 -3.940 1.00 0.00 O ATOM 156 CB VAL A 10 -0.408 -1.936 -3.825 1.00 0.00 C ATOM 157 CG1 VAL A 10 0.681 -1.525 -2.846 1.00 0.00 C ATOM 158 CG2 VAL A 10 -0.367 -1.068 -5.074 1.00 0.00 C ATOM 0 H VAL A 10 -0.054 -4.120 -2.226 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.030 -3.640 -4.975 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.370 -1.783 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.578 -0.466 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.588 -2.110 -1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.659 -1.704 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.443 -0.018 -4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.572 -1.234 -5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.201 -1.329 -5.726 1.00 0.00 H new ATOM 168 N ARG A 11 1.297 -3.583 -6.000 1.00 0.00 N ATOM 169 CA ARG A 11 2.597 -3.810 -6.598 1.00 0.00 C ATOM 170 C ARG A 11 3.416 -2.533 -6.518 1.00 0.00 C ATOM 171 O ARG A 11 3.089 -1.524 -7.140 1.00 0.00 O ATOM 172 CB ARG A 11 2.452 -4.305 -8.037 1.00 0.00 C ATOM 173 CG ARG A 11 1.647 -5.592 -8.128 1.00 0.00 C ATOM 174 CD ARG A 11 1.778 -6.262 -9.486 1.00 0.00 C ATOM 175 NE ARG A 11 1.225 -5.463 -10.576 1.00 0.00 N ATOM 176 CZ ARG A 11 -0.013 -5.610 -11.052 1.00 0.00 C ATOM 177 NH1 ARG A 11 -0.865 -6.447 -10.471 1.00 0.00 N ATOM 178 NH2 ARG A 11 -0.401 -4.911 -12.107 1.00 0.00 N ATOM 0 H ARG A 11 0.575 -3.285 -6.656 1.00 0.00 H new ATOM 0 HA ARG A 11 3.122 -4.590 -6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.969 -3.534 -8.637 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.442 -4.467 -8.464 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.980 -6.281 -7.352 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.597 -5.375 -7.933 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.831 -6.460 -9.687 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.272 -7.227 -9.458 1.00 0.00 H new ATOM 0 HE ARG A 11 1.820 -4.750 -10.999 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.575 -6.984 -9.654 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.809 -6.553 -10.842 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.246 -4.262 -12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.347 -5.022 -12.472 1.00 0.00 H new ATOM 192 N VAL A 12 4.484 -2.596 -5.740 1.00 0.00 N ATOM 193 CA VAL A 12 5.222 -1.408 -5.354 1.00 0.00 C ATOM 194 C VAL A 12 6.246 -1.025 -6.418 1.00 0.00 C ATOM 195 O VAL A 12 6.917 -1.881 -6.995 1.00 0.00 O ATOM 196 CB VAL A 12 5.956 -1.646 -4.016 1.00 0.00 C ATOM 197 CG1 VAL A 12 6.452 -0.339 -3.429 1.00 0.00 C ATOM 198 CG2 VAL A 12 5.049 -2.362 -3.032 1.00 0.00 C ATOM 0 H VAL A 12 4.860 -3.465 -5.362 1.00 0.00 H new ATOM 0 HA VAL A 12 4.504 -0.595 -5.245 1.00 0.00 H new ATOM 0 HB VAL A 12 6.822 -2.278 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.965 -0.535 -2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.142 0.135 -4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.605 0.324 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.583 -2.521 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.163 -1.755 -2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.749 -3.324 -3.447 1.00 0.00 H new ATOM 208 N ARG A 13 6.355 0.269 -6.664 1.00 0.00 N ATOM 209 CA ARG A 13 7.289 0.794 -7.647 1.00 0.00 C ATOM 210 C ARG A 13 8.468 1.446 -6.928 1.00 0.00 C ATOM 211 O ARG A 13 8.282 2.113 -5.916 1.00 0.00 O ATOM 212 CB ARG A 13 6.579 1.826 -8.529 1.00 0.00 C ATOM 213 CG ARG A 13 7.288 2.134 -9.836 1.00 0.00 C ATOM 214 CD ARG A 13 7.135 0.996 -10.829 1.00 0.00 C ATOM 215 NE ARG A 13 7.725 1.317 -12.129 1.00 0.00 N ATOM 216 CZ ARG A 13 8.750 0.658 -12.670 1.00 0.00 C ATOM 217 NH1 ARG A 13 9.372 -0.294 -11.982 1.00 0.00 N ATOM 218 NH2 ARG A 13 9.172 0.977 -13.889 1.00 0.00 N ATOM 0 H ARG A 13 5.802 0.983 -6.191 1.00 0.00 H new ATOM 0 HA ARG A 13 7.656 -0.018 -8.274 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.575 1.465 -8.752 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.467 2.752 -7.964 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.882 3.050 -10.265 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.346 2.313 -9.645 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.608 0.100 -10.428 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.077 0.768 -10.958 1.00 0.00 H new ATOM 0 HE ARG A 13 7.327 2.095 -12.655 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.066 -0.523 -11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.156 -0.796 -12.400 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.712 1.725 -14.409 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.956 0.474 -14.305 1.00 0.00 H new ATOM 232 N GLY A 14 9.677 1.217 -7.414 1.00 0.00 N ATOM 233 CA GLY A 14 10.839 1.874 -6.840 1.00 0.00 C ATOM 234 C GLY A 14 11.869 0.889 -6.340 1.00 0.00 C ATOM 235 O GLY A 14 11.685 -0.323 -6.468 1.00 0.00 O ATOM 0 H GLY A 14 9.878 0.590 -8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.294 2.522 -7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.522 2.513 -6.016 1.00 0.00 H new ATOM 239 N SER A 15 12.949 1.399 -5.768 1.00 0.00 N ATOM 240 CA SER A 15 14.030 0.550 -5.292 1.00 0.00 C ATOM 241 C SER A 15 13.695 -0.025 -3.920 1.00 0.00 C ATOM 242 O SER A 15 13.646 0.697 -2.922 1.00 0.00 O ATOM 243 CB SER A 15 15.343 1.337 -5.235 1.00 0.00 C ATOM 244 OG SER A 15 16.439 0.478 -4.972 1.00 0.00 O ATOM 0 H SER A 15 13.100 2.397 -5.622 1.00 0.00 H new ATOM 0 HA SER A 15 14.151 -0.277 -5.992 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.502 1.856 -6.180 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.280 2.100 -4.459 1.00 0.00 H new ATOM 0 HG SER A 15 17.266 1.003 -4.942 1.00 0.00 H new ATOM 250 N LYS A 16 13.450 -1.329 -3.884 1.00 0.00 N ATOM 251 CA LYS A 16 13.103 -2.025 -2.650 1.00 0.00 C ATOM 252 C LYS A 16 13.289 -3.529 -2.824 1.00 0.00 C ATOM 253 O LYS A 16 13.482 -4.002 -3.943 1.00 0.00 O ATOM 254 CB LYS A 16 11.665 -1.690 -2.215 1.00 0.00 C ATOM 255 CG LYS A 16 10.658 -1.545 -3.358 1.00 0.00 C ATOM 256 CD LYS A 16 10.452 -2.845 -4.120 1.00 0.00 C ATOM 257 CE LYS A 16 9.262 -2.765 -5.058 1.00 0.00 C ATOM 258 NZ LYS A 16 9.548 -1.945 -6.261 1.00 0.00 N ATOM 0 H LYS A 16 13.486 -1.932 -4.706 1.00 0.00 H new ATOM 0 HA LYS A 16 13.773 -1.685 -1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.315 -2.471 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.681 -0.761 -1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.703 -1.208 -2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.004 -0.774 -4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.350 -3.078 -4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.304 -3.661 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.977 -3.771 -5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.410 -2.341 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.654 -1.607 -6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.136 -1.130 -5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.055 -2.522 -6.962 1.00 0.00 H new ATOM 272 N LYS A 17 13.241 -4.277 -1.727 1.00 0.00 N ATOM 273 CA LYS A 17 13.457 -5.721 -1.789 1.00 0.00 C ATOM 274 C LYS A 17 12.125 -6.473 -1.867 1.00 0.00 C ATOM 275 O LYS A 17 12.075 -7.626 -2.299 1.00 0.00 O ATOM 276 CB LYS A 17 14.276 -6.193 -0.579 1.00 0.00 C ATOM 277 CG LYS A 17 14.837 -7.602 -0.728 1.00 0.00 C ATOM 278 CD LYS A 17 15.811 -7.945 0.389 1.00 0.00 C ATOM 279 CE LYS A 17 16.445 -9.312 0.173 1.00 0.00 C ATOM 280 NZ LYS A 17 17.442 -9.643 1.228 1.00 0.00 N ATOM 0 H LYS A 17 13.056 -3.914 -0.792 1.00 0.00 H new ATOM 0 HA LYS A 17 14.020 -5.942 -2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 17 15.101 -5.499 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.648 -6.154 0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.018 -8.321 -0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.341 -7.692 -1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.590 -7.185 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.289 -7.931 1.346 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.666 -10.074 0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.930 -9.336 -0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 18.205 -10.218 0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.841 -8.765 1.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.977 -10.178 1.989 1.00 0.00 H new ATOM 294 N TYR A 18 11.050 -5.817 -1.450 1.00 0.00 N ATOM 295 CA TYR A 18 9.719 -6.412 -1.510 1.00 0.00 C ATOM 296 C TYR A 18 8.904 -5.754 -2.615 1.00 0.00 C ATOM 297 O TYR A 18 8.538 -4.584 -2.511 1.00 0.00 O ATOM 298 CB TYR A 18 8.992 -6.262 -0.172 1.00 0.00 C ATOM 299 CG TYR A 18 9.698 -6.920 0.991 1.00 0.00 C ATOM 300 CD1 TYR A 18 9.728 -8.303 1.121 1.00 0.00 C ATOM 301 CD2 TYR A 18 10.329 -6.156 1.963 1.00 0.00 C ATOM 302 CE1 TYR A 18 10.370 -8.905 2.187 1.00 0.00 C ATOM 303 CE2 TYR A 18 10.970 -6.750 3.032 1.00 0.00 C ATOM 304 CZ TYR A 18 10.988 -8.125 3.140 1.00 0.00 C ATOM 305 OH TYR A 18 11.623 -8.717 4.209 1.00 0.00 O ATOM 0 H TYR A 18 11.072 -4.872 -1.066 1.00 0.00 H new ATOM 0 HA TYR A 18 9.830 -7.475 -1.725 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.868 -5.201 0.045 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.993 -6.687 -0.264 1.00 0.00 H new ATOM 0 HD1 TYR A 18 9.242 -8.917 0.377 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.318 -5.079 1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 18 10.387 -9.981 2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 18 11.455 -6.141 3.780 1.00 0.00 H new ATOM 0 HH TYR A 18 12.007 -8.024 4.786 1.00 0.00 H new ATOM 315 N ASN A 19 8.621 -6.506 -3.669 1.00 0.00 N ATOM 316 CA ASN A 19 7.954 -5.955 -4.848 1.00 0.00 C ATOM 317 C ASN A 19 6.461 -5.753 -4.623 1.00 0.00 C ATOM 318 O ASN A 19 5.817 -4.988 -5.341 1.00 0.00 O ATOM 319 CB ASN A 19 8.189 -6.849 -6.066 1.00 0.00 C ATOM 320 CG ASN A 19 9.592 -6.709 -6.625 1.00 0.00 C ATOM 321 OD1 ASN A 19 10.206 -5.646 -6.530 1.00 0.00 O ATOM 322 ND2 ASN A 19 10.108 -7.774 -7.215 1.00 0.00 N ATOM 0 H ASN A 19 8.841 -7.500 -3.735 1.00 0.00 H new ATOM 0 HA ASN A 19 8.392 -4.974 -5.034 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.013 -7.889 -5.789 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.465 -6.599 -6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.047 -7.733 -7.612 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.567 -8.637 -7.274 1.00 0.00 H new ATOM 329 N VAL A 20 5.912 -6.434 -3.631 1.00 0.00 N ATOM 330 CA VAL A 20 4.501 -6.293 -3.297 1.00 0.00 C ATOM 331 C VAL A 20 4.329 -6.067 -1.800 1.00 0.00 C ATOM 332 O VAL A 20 5.021 -6.685 -0.989 1.00 0.00 O ATOM 333 CB VAL A 20 3.670 -7.526 -3.732 1.00 0.00 C ATOM 334 CG1 VAL A 20 3.568 -7.598 -5.246 1.00 0.00 C ATOM 335 CG2 VAL A 20 4.268 -8.813 -3.180 1.00 0.00 C ATOM 0 H VAL A 20 6.421 -7.092 -3.041 1.00 0.00 H new ATOM 0 HA VAL A 20 4.130 -5.428 -3.846 1.00 0.00 H new ATOM 0 HB VAL A 20 2.667 -7.413 -3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.980 -8.471 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.083 -6.697 -5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.567 -7.678 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.664 -9.662 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.286 -8.930 -3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.283 -8.770 -2.091 1.00 0.00 H new ATOM 345 N VAL A 21 3.428 -5.167 -1.436 1.00 0.00 N ATOM 346 CA VAL A 21 3.196 -4.860 -0.034 1.00 0.00 C ATOM 347 C VAL A 21 1.693 -4.786 0.267 1.00 0.00 C ATOM 348 O VAL A 21 0.909 -4.301 -0.555 1.00 0.00 O ATOM 349 CB VAL A 21 3.896 -3.535 0.360 1.00 0.00 C ATOM 350 CG1 VAL A 21 3.147 -2.321 -0.173 1.00 0.00 C ATOM 351 CG2 VAL A 21 4.078 -3.442 1.862 1.00 0.00 C ATOM 0 H VAL A 21 2.849 -4.639 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 21 3.624 -5.665 0.564 1.00 0.00 H new ATOM 0 HB VAL A 21 4.883 -3.539 -0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.669 -1.412 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.098 -2.372 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.136 -2.309 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.572 -2.503 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.104 -3.481 2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.690 -4.276 2.207 1.00 0.00 H new ATOM 361 N PRO A 22 1.265 -5.319 1.426 1.00 0.00 N ATOM 362 CA PRO A 22 -0.130 -5.240 1.862 1.00 0.00 C ATOM 363 C PRO A 22 -0.521 -3.835 2.321 1.00 0.00 C ATOM 364 O PRO A 22 0.177 -3.205 3.121 1.00 0.00 O ATOM 365 CB PRO A 22 -0.202 -6.231 3.025 1.00 0.00 C ATOM 366 CG PRO A 22 1.188 -6.309 3.555 1.00 0.00 C ATOM 367 CD PRO A 22 2.105 -6.061 2.385 1.00 0.00 C ATOM 0 HA PRO A 22 -0.821 -5.471 1.051 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.898 -5.889 3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.551 -7.208 2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.347 -5.567 4.337 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.380 -7.286 3.999 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.981 -5.483 2.680 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.469 -6.995 1.958 1.00 0.00 H new ATOM 375 N VAL A 23 -1.639 -3.354 1.803 1.00 0.00 N ATOM 376 CA VAL A 23 -2.137 -2.031 2.137 1.00 0.00 C ATOM 377 C VAL A 23 -3.511 -2.125 2.785 1.00 0.00 C ATOM 378 O VAL A 23 -4.189 -3.148 2.678 1.00 0.00 O ATOM 379 CB VAL A 23 -2.225 -1.123 0.890 1.00 0.00 C ATOM 380 CG1 VAL A 23 -0.837 -0.839 0.340 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.105 -1.756 -0.179 1.00 0.00 C ATOM 0 H VAL A 23 -2.224 -3.867 1.143 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.429 -1.589 2.838 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.679 -0.178 1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.918 -0.198 -0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.239 -0.338 1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.357 -1.777 0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.152 -1.099 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.685 -2.717 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.109 -1.905 0.218 1.00 0.00 H new ATOM 391 N LYS A 24 -3.913 -1.059 3.452 1.00 0.00 N ATOM 392 CA LYS A 24 -5.202 -1.000 4.118 1.00 0.00 C ATOM 393 C LYS A 24 -5.788 0.401 4.004 1.00 0.00 C ATOM 394 O LYS A 24 -5.116 1.331 3.566 1.00 0.00 O ATOM 395 CB LYS A 24 -5.058 -1.388 5.596 1.00 0.00 C ATOM 396 CG LYS A 24 -4.068 -0.523 6.362 1.00 0.00 C ATOM 397 CD LYS A 24 -3.973 -0.920 7.826 1.00 0.00 C ATOM 398 CE LYS A 24 -5.290 -0.704 8.555 1.00 0.00 C ATOM 399 NZ LYS A 24 -5.165 -0.959 10.014 1.00 0.00 N ATOM 0 H LYS A 24 -3.356 -0.210 3.548 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.875 -1.707 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.034 -1.320 6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.742 -2.429 5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.084 -0.604 5.901 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.369 0.522 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.684 -1.968 7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.189 -0.338 8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.631 0.319 8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.050 -1.363 8.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.084 -0.801 10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.864 -1.942 10.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.459 -0.313 10.420 1.00 0.00 H new ATOM 413 N SER A 25 -7.037 0.551 4.399 1.00 0.00 N ATOM 414 CA SER A 25 -7.682 1.851 4.399 1.00 0.00 C ATOM 415 C SER A 25 -7.881 2.328 5.834 1.00 0.00 C ATOM 416 O SER A 25 -8.415 1.597 6.668 1.00 0.00 O ATOM 417 CB SER A 25 -9.026 1.760 3.673 1.00 0.00 C ATOM 418 OG SER A 25 -9.865 0.779 4.262 1.00 0.00 O ATOM 0 H SER A 25 -7.628 -0.214 4.725 1.00 0.00 H new ATOM 0 HA SER A 25 -7.051 2.570 3.877 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.523 2.730 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.859 1.516 2.624 1.00 0.00 H new ATOM 0 HG SER A 25 -10.608 1.219 4.725 1.00 0.00 H new ATOM 424 N ASN A 26 -7.438 3.548 6.132 1.00 0.00 N ATOM 425 CA ASN A 26 -7.613 4.105 7.476 1.00 0.00 C ATOM 426 C ASN A 26 -9.055 4.553 7.703 1.00 0.00 C ATOM 427 O ASN A 26 -9.407 5.033 8.781 1.00 0.00 O ATOM 428 CB ASN A 26 -6.637 5.260 7.753 1.00 0.00 C ATOM 429 CG ASN A 26 -6.572 6.286 6.642 1.00 0.00 C ATOM 430 OD1 ASN A 26 -5.763 6.162 5.732 1.00 0.00 O ATOM 431 ND2 ASN A 26 -7.400 7.318 6.719 1.00 0.00 N ATOM 0 H ASN A 26 -6.962 4.164 5.473 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.385 3.307 8.182 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.931 5.757 8.677 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.640 4.850 7.915 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.377 8.045 6.004 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.060 7.385 7.494 1.00 0.00 H new ATOM 438 N LYS A 27 -9.885 4.392 6.682 1.00 0.00 N ATOM 439 CA LYS A 27 -11.319 4.609 6.809 1.00 0.00 C ATOM 440 C LYS A 27 -12.054 3.429 6.183 1.00 0.00 C ATOM 441 O LYS A 27 -11.603 2.891 5.171 1.00 0.00 O ATOM 442 CB LYS A 27 -11.755 5.921 6.139 1.00 0.00 C ATOM 443 CG LYS A 27 -11.036 7.153 6.670 1.00 0.00 C ATOM 444 CD LYS A 27 -11.769 8.439 6.311 1.00 0.00 C ATOM 445 CE LYS A 27 -12.023 8.554 4.817 1.00 0.00 C ATOM 446 NZ LYS A 27 -12.630 9.863 4.460 1.00 0.00 N ATOM 0 H LYS A 27 -9.586 4.109 5.749 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.567 4.687 7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.581 5.845 5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.828 6.050 6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.942 7.079 7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.025 7.186 6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.719 8.475 6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.183 9.295 6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.084 8.430 4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.683 7.748 4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.019 9.814 3.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.393 10.086 5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.903 10.606 4.502 1.00 0.00 H new ATOM 460 N PRO A 28 -13.172 2.991 6.782 1.00 0.00 N ATOM 461 CA PRO A 28 -13.946 1.853 6.271 1.00 0.00 C ATOM 462 C PRO A 28 -14.458 2.090 4.852 1.00 0.00 C ATOM 463 O PRO A 28 -14.960 3.170 4.524 1.00 0.00 O ATOM 464 CB PRO A 28 -15.113 1.725 7.259 1.00 0.00 C ATOM 465 CG PRO A 28 -15.178 3.040 7.960 1.00 0.00 C ATOM 466 CD PRO A 28 -13.770 3.562 8.000 1.00 0.00 C ATOM 0 HA PRO A 28 -13.340 0.950 6.204 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.047 1.509 6.740 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -14.945 0.911 7.964 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.835 3.731 7.432 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -15.580 2.925 8.967 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.743 4.652 7.991 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.244 3.238 8.898 1.00 0.00 H new ATOM 474 N VAL A 29 -14.326 1.071 4.021 1.00 0.00 N ATOM 475 CA VAL A 29 -14.671 1.172 2.617 1.00 0.00 C ATOM 476 C VAL A 29 -15.976 0.453 2.328 1.00 0.00 C ATOM 477 O VAL A 29 -16.171 -0.688 2.747 1.00 0.00 O ATOM 478 CB VAL A 29 -13.562 0.566 1.736 1.00 0.00 C ATOM 479 CG1 VAL A 29 -13.849 0.798 0.263 1.00 0.00 C ATOM 480 CG2 VAL A 29 -12.211 1.137 2.122 1.00 0.00 C ATOM 0 H VAL A 29 -13.978 0.154 4.301 1.00 0.00 H new ATOM 0 HA VAL A 29 -14.782 2.231 2.384 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.541 -0.511 1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.051 0.360 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -14.798 0.332 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -13.904 1.869 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.437 0.699 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.221 2.219 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.002 0.904 3.166 1.00 0.00 H new ATOM 490 N GLU A 30 -16.873 1.133 1.633 1.00 0.00 N ATOM 491 CA GLU A 30 -18.112 0.529 1.183 1.00 0.00 C ATOM 492 C GLU A 30 -17.790 -0.652 0.271 1.00 0.00 C ATOM 493 O GLU A 30 -17.120 -0.489 -0.750 1.00 0.00 O ATOM 494 CB GLU A 30 -18.953 1.573 0.448 1.00 0.00 C ATOM 495 CG GLU A 30 -20.403 1.173 0.264 1.00 0.00 C ATOM 496 CD GLU A 30 -21.158 2.145 -0.615 1.00 0.00 C ATOM 497 OE1 GLU A 30 -21.002 2.074 -1.856 1.00 0.00 O ATOM 498 OE2 GLU A 30 -21.899 2.992 -0.072 1.00 0.00 O ATOM 0 H GLU A 30 -16.763 2.112 1.367 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.685 0.167 2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -18.912 2.512 1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -18.510 1.759 -0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -20.450 0.177 -0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -20.888 1.115 1.238 1.00 0.00 H new ATOM 505 N ILE A 31 -18.261 -1.838 0.646 1.00 0.00 N ATOM 506 CA ILE A 31 -17.876 -3.075 -0.035 1.00 0.00 C ATOM 507 C ILE A 31 -18.278 -3.070 -1.517 1.00 0.00 C ATOM 508 O ILE A 31 -17.702 -3.794 -2.327 1.00 0.00 O ATOM 509 CB ILE A 31 -18.482 -4.310 0.674 1.00 0.00 C ATOM 510 CG1 ILE A 31 -17.889 -5.609 0.120 1.00 0.00 C ATOM 511 CG2 ILE A 31 -19.994 -4.319 0.538 1.00 0.00 C ATOM 512 CD1 ILE A 31 -16.398 -5.746 0.350 1.00 0.00 C ATOM 0 H ILE A 31 -18.912 -1.971 1.420 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.789 -3.135 0.014 1.00 0.00 H new ATOM 0 HB ILE A 31 -18.229 -4.245 1.732 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.398 -6.456 0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -18.089 -5.661 -0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -20.400 -5.195 1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -20.405 -3.417 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -20.264 -4.351 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -16.050 -6.690 -0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -15.878 -4.920 -0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.192 -5.727 1.420 1.00 0.00 H new ATOM 524 N SER A 32 -19.247 -2.240 -1.882 1.00 0.00 N ATOM 525 CA SER A 32 -19.680 -2.135 -3.269 1.00 0.00 C ATOM 526 C SER A 32 -18.619 -1.450 -4.136 1.00 0.00 C ATOM 527 O SER A 32 -18.695 -1.469 -5.363 1.00 0.00 O ATOM 528 CB SER A 32 -21.001 -1.370 -3.328 1.00 0.00 C ATOM 529 OG SER A 32 -21.219 -0.667 -2.116 1.00 0.00 O ATOM 0 H SER A 32 -19.748 -1.630 -1.236 1.00 0.00 H new ATOM 0 HA SER A 32 -19.823 -3.139 -3.667 1.00 0.00 H new ATOM 0 HB2 SER A 32 -20.987 -0.671 -4.164 1.00 0.00 H new ATOM 0 HB3 SER A 32 -21.823 -2.064 -3.507 1.00 0.00 H new ATOM 0 HG SER A 32 -21.100 0.294 -2.269 1.00 0.00 H new ATOM 535 N LYS A 33 -17.622 -0.860 -3.490 1.00 0.00 N ATOM 536 CA LYS A 33 -16.574 -0.140 -4.198 1.00 0.00 C ATOM 537 C LYS A 33 -15.265 -0.930 -4.219 1.00 0.00 C ATOM 538 O LYS A 33 -14.273 -0.469 -4.784 1.00 0.00 O ATOM 539 CB LYS A 33 -16.340 1.223 -3.541 1.00 0.00 C ATOM 540 CG LYS A 33 -17.513 2.182 -3.662 1.00 0.00 C ATOM 541 CD LYS A 33 -17.195 3.522 -3.017 1.00 0.00 C ATOM 542 CE LYS A 33 -18.257 4.563 -3.328 1.00 0.00 C ATOM 543 NZ LYS A 33 -19.565 4.256 -2.690 1.00 0.00 N ATOM 0 H LYS A 33 -17.518 -0.866 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 33 -16.904 -0.002 -5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.117 1.071 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.460 1.684 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.758 2.330 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.393 1.747 -3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.115 3.396 -1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -16.226 3.875 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.913 5.540 -2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.390 4.629 -4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -20.336 4.495 -3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.609 3.243 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.666 4.815 -1.819 1.00 0.00 H new ATOM 557 N TRP A 34 -15.270 -2.128 -3.635 1.00 0.00 N ATOM 558 CA TRP A 34 -14.040 -2.907 -3.470 1.00 0.00 C ATOM 559 C TRP A 34 -13.386 -3.211 -4.822 1.00 0.00 C ATOM 560 O TRP A 34 -12.163 -3.299 -4.930 1.00 0.00 O ATOM 561 CB TRP A 34 -14.325 -4.217 -2.715 1.00 0.00 C ATOM 562 CG TRP A 34 -14.844 -5.330 -3.583 1.00 0.00 C ATOM 563 CD1 TRP A 34 -16.080 -5.428 -4.154 1.00 0.00 C ATOM 564 CD2 TRP A 34 -14.132 -6.512 -3.969 1.00 0.00 C ATOM 565 NE1 TRP A 34 -16.174 -6.589 -4.881 1.00 0.00 N ATOM 566 CE2 TRP A 34 -14.992 -7.275 -4.779 1.00 0.00 C ATOM 567 CE3 TRP A 34 -12.847 -6.995 -3.710 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -14.610 -8.494 -5.333 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -12.467 -8.206 -4.258 1.00 0.00 C ATOM 570 CH2 TRP A 34 -13.345 -8.943 -5.061 1.00 0.00 C ATOM 0 H TRP A 34 -16.108 -2.580 -3.269 1.00 0.00 H new ATOM 0 HA TRP A 34 -13.345 -2.305 -2.884 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -13.408 -4.549 -2.228 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -15.051 -4.018 -1.927 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -16.869 -4.698 -4.049 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -16.991 -6.892 -5.411 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -12.163 -6.432 -3.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -15.286 -9.064 -5.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -11.476 -8.590 -4.063 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -13.018 -9.886 -5.475 1.00 0.00 H new ATOM 581 N ILE A 35 -14.212 -3.348 -5.853 1.00 0.00 N ATOM 582 CA ILE A 35 -13.731 -3.712 -7.176 1.00 0.00 C ATOM 583 C ILE A 35 -13.109 -2.508 -7.880 1.00 0.00 C ATOM 584 O ILE A 35 -12.182 -2.646 -8.677 1.00 0.00 O ATOM 585 CB ILE A 35 -14.872 -4.302 -8.040 1.00 0.00 C ATOM 586 CG1 ILE A 35 -14.320 -4.838 -9.364 1.00 0.00 C ATOM 587 CG2 ILE A 35 -15.962 -3.265 -8.288 1.00 0.00 C ATOM 588 CD1 ILE A 35 -15.362 -5.508 -10.234 1.00 0.00 C ATOM 0 H ILE A 35 -15.221 -3.211 -5.795 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.964 -4.476 -7.049 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.319 -5.132 -7.492 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.871 -4.015 -9.920 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -13.523 -5.551 -9.153 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.751 -3.705 -8.897 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.378 -2.940 -7.335 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.537 -2.408 -8.810 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.896 -5.861 -11.154 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.794 -6.353 -9.698 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -16.147 -4.792 -10.477 1.00 0.00 H new ATOM 600 N ASP A 36 -13.606 -1.326 -7.559 1.00 0.00 N ATOM 601 CA ASP A 36 -13.109 -0.105 -8.174 1.00 0.00 C ATOM 602 C ASP A 36 -11.789 0.294 -7.523 1.00 0.00 C ATOM 603 O ASP A 36 -10.828 0.647 -8.209 1.00 0.00 O ATOM 604 CB ASP A 36 -14.139 1.022 -8.046 1.00 0.00 C ATOM 605 CG ASP A 36 -13.948 2.114 -9.088 1.00 0.00 C ATOM 606 OD1 ASP A 36 -13.052 1.980 -9.948 1.00 0.00 O ATOM 607 OD2 ASP A 36 -14.720 3.099 -9.075 1.00 0.00 O ATOM 0 H ASP A 36 -14.352 -1.185 -6.878 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.940 -0.285 -9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.141 0.605 -8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.070 1.460 -7.050 1.00 0.00 H new ATOM 612 N PHE A 37 -11.738 0.199 -6.194 1.00 0.00 N ATOM 613 CA PHE A 37 -10.514 0.483 -5.443 1.00 0.00 C ATOM 614 C PHE A 37 -9.354 -0.387 -5.923 1.00 0.00 C ATOM 615 O PHE A 37 -8.253 0.108 -6.171 1.00 0.00 O ATOM 616 CB PHE A 37 -10.732 0.258 -3.941 1.00 0.00 C ATOM 617 CG PHE A 37 -11.354 1.425 -3.226 1.00 0.00 C ATOM 618 CD1 PHE A 37 -12.726 1.592 -3.199 1.00 0.00 C ATOM 619 CD2 PHE A 37 -10.556 2.355 -2.578 1.00 0.00 C ATOM 620 CE1 PHE A 37 -13.296 2.663 -2.538 1.00 0.00 C ATOM 621 CE2 PHE A 37 -11.122 3.427 -1.914 1.00 0.00 C ATOM 622 CZ PHE A 37 -12.492 3.583 -1.896 1.00 0.00 C ATOM 0 H PHE A 37 -12.532 -0.073 -5.614 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.263 1.529 -5.617 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -11.367 -0.617 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.773 0.031 -3.476 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.360 0.876 -3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.482 2.241 -2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -14.370 2.780 -2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.491 4.143 -1.409 1.00 0.00 H new ATOM 0 HZ PHE A 37 -12.935 4.423 -1.381 1.00 0.00 H new ATOM 632 N SER A 38 -9.612 -1.682 -6.066 1.00 0.00 N ATOM 633 CA SER A 38 -8.584 -2.623 -6.486 1.00 0.00 C ATOM 634 C SER A 38 -8.129 -2.340 -7.917 1.00 0.00 C ATOM 635 O SER A 38 -6.942 -2.457 -8.233 1.00 0.00 O ATOM 636 CB SER A 38 -9.097 -4.058 -6.347 1.00 0.00 C ATOM 637 OG SER A 38 -10.424 -4.174 -6.827 1.00 0.00 O ATOM 0 H SER A 38 -10.525 -2.103 -5.897 1.00 0.00 H new ATOM 0 HA SER A 38 -7.717 -2.499 -5.837 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.446 -4.735 -6.900 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.058 -4.362 -5.301 1.00 0.00 H new ATOM 0 HG SER A 38 -11.053 -3.966 -6.104 1.00 0.00 H new ATOM 643 N ASN A 39 -9.070 -1.950 -8.773 1.00 0.00 N ATOM 644 CA ASN A 39 -8.747 -1.578 -10.151 1.00 0.00 C ATOM 645 C ASN A 39 -7.790 -0.393 -10.180 1.00 0.00 C ATOM 646 O ASN A 39 -6.827 -0.380 -10.950 1.00 0.00 O ATOM 647 CB ASN A 39 -10.013 -1.237 -10.942 1.00 0.00 C ATOM 648 CG ASN A 39 -10.508 -2.395 -11.786 1.00 0.00 C ATOM 649 OD1 ASN A 39 -10.119 -2.543 -12.947 1.00 0.00 O ATOM 650 ND2 ASN A 39 -11.371 -3.222 -11.219 1.00 0.00 N ATOM 0 H ASN A 39 -10.061 -1.883 -8.539 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.265 -2.437 -10.618 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.799 -0.936 -10.249 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.813 -0.382 -11.588 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.738 -4.015 -11.745 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.669 -3.066 -10.256 1.00 0.00 H new ATOM 657 N VAL A 40 -8.054 0.595 -9.330 1.00 0.00 N ATOM 658 CA VAL A 40 -7.199 1.774 -9.235 1.00 0.00 C ATOM 659 C VAL A 40 -5.800 1.386 -8.764 1.00 0.00 C ATOM 660 O VAL A 40 -4.801 1.833 -9.325 1.00 0.00 O ATOM 661 CB VAL A 40 -7.789 2.837 -8.278 1.00 0.00 C ATOM 662 CG1 VAL A 40 -6.888 4.063 -8.208 1.00 0.00 C ATOM 663 CG2 VAL A 40 -9.190 3.232 -8.715 1.00 0.00 C ATOM 0 H VAL A 40 -8.854 0.603 -8.697 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.140 2.208 -10.233 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.848 2.399 -7.282 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.323 4.796 -7.529 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.903 3.771 -7.843 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.791 4.501 -9.202 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.588 3.980 -8.029 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.154 3.646 -9.723 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.835 2.353 -8.707 1.00 0.00 H new ATOM 673 N LEU A 41 -5.737 0.523 -7.754 1.00 0.00 N ATOM 674 CA LEU A 41 -4.461 0.074 -7.200 1.00 0.00 C ATOM 675 C LEU A 41 -3.683 -0.768 -8.210 1.00 0.00 C ATOM 676 O LEU A 41 -2.468 -0.907 -8.109 1.00 0.00 O ATOM 677 CB LEU A 41 -4.685 -0.733 -5.919 1.00 0.00 C ATOM 678 CG LEU A 41 -5.320 0.041 -4.760 1.00 0.00 C ATOM 679 CD1 LEU A 41 -5.583 -0.886 -3.582 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.428 1.198 -4.334 1.00 0.00 C ATOM 0 H LEU A 41 -6.557 0.119 -7.301 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.874 0.962 -6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.319 -1.588 -6.154 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.726 -1.130 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.272 0.448 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.034 -0.320 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.261 -1.682 -3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.642 -1.321 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.897 1.735 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.461 0.812 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.286 1.877 -5.175 1.00 0.00 H new ATOM 692 N SER A 42 -4.388 -1.327 -9.184 1.00 0.00 N ATOM 693 CA SER A 42 -3.752 -2.124 -10.225 1.00 0.00 C ATOM 694 C SER A 42 -3.167 -1.224 -11.313 1.00 0.00 C ATOM 695 O SER A 42 -2.412 -1.677 -12.174 1.00 0.00 O ATOM 696 CB SER A 42 -4.761 -3.099 -10.828 1.00 0.00 C ATOM 697 OG SER A 42 -5.328 -3.926 -9.826 1.00 0.00 O ATOM 0 H SER A 42 -5.400 -1.244 -9.275 1.00 0.00 H new ATOM 0 HA SER A 42 -2.936 -2.692 -9.777 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.550 -2.544 -11.336 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.271 -3.717 -11.580 1.00 0.00 H new ATOM 0 HG SER A 42 -5.834 -3.374 -9.194 1.00 0.00 H new ATOM 703 N ARG A 43 -3.530 0.052 -11.266 1.00 0.00 N ATOM 704 CA ARG A 43 -3.024 1.037 -12.212 1.00 0.00 C ATOM 705 C ARG A 43 -1.999 1.946 -11.547 1.00 0.00 C ATOM 706 O ARG A 43 -1.125 2.503 -12.210 1.00 0.00 O ATOM 707 CB ARG A 43 -4.173 1.885 -12.763 1.00 0.00 C ATOM 708 CG ARG A 43 -5.054 1.164 -13.769 1.00 0.00 C ATOM 709 CD ARG A 43 -4.299 0.846 -15.055 1.00 0.00 C ATOM 710 NE ARG A 43 -3.562 2.006 -15.567 1.00 0.00 N ATOM 711 CZ ARG A 43 -4.126 3.064 -16.158 1.00 0.00 C ATOM 712 NH1 ARG A 43 -5.444 3.136 -16.308 1.00 0.00 N ATOM 713 NH2 ARG A 43 -3.367 4.067 -16.587 1.00 0.00 N ATOM 0 H ARG A 43 -4.179 0.431 -10.576 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.544 0.502 -13.031 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.792 2.222 -11.931 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.758 2.776 -13.234 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.428 0.240 -13.329 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.922 1.781 -14.000 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.603 0.027 -14.872 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.004 0.502 -15.812 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.547 2.005 -15.465 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.038 2.379 -15.970 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.862 3.949 -16.761 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.355 4.029 -16.465 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.796 4.875 -17.038 1.00 0.00 H new ATOM 727 N LEU A 44 -2.115 2.092 -10.237 1.00 0.00 N ATOM 728 CA LEU A 44 -1.249 2.983 -9.484 1.00 0.00 C ATOM 729 C LEU A 44 0.084 2.308 -9.176 1.00 0.00 C ATOM 730 O LEU A 44 0.209 1.568 -8.203 1.00 0.00 O ATOM 731 CB LEU A 44 -1.937 3.413 -8.184 1.00 0.00 C ATOM 732 CG LEU A 44 -1.195 4.474 -7.372 1.00 0.00 C ATOM 733 CD1 LEU A 44 -1.101 5.773 -8.153 1.00 0.00 C ATOM 734 CD2 LEU A 44 -1.886 4.697 -6.037 1.00 0.00 C ATOM 0 H LEU A 44 -2.806 1.601 -9.670 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.054 3.867 -10.091 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.930 3.793 -8.426 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.077 2.532 -7.558 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.183 4.119 -7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.570 6.517 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.562 5.599 -9.084 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.104 6.136 -8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.346 5.455 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.909 5.032 -6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.899 3.764 -5.474 1.00 0.00 H new ATOM 746 N TYR A 45 1.073 2.553 -10.023 1.00 0.00 N ATOM 747 CA TYR A 45 2.396 1.985 -9.820 1.00 0.00 C ATOM 748 C TYR A 45 3.301 2.996 -9.139 1.00 0.00 C ATOM 749 O TYR A 45 3.949 3.813 -9.798 1.00 0.00 O ATOM 750 CB TYR A 45 3.005 1.519 -11.147 1.00 0.00 C ATOM 751 CG TYR A 45 2.184 0.453 -11.828 1.00 0.00 C ATOM 752 CD1 TYR A 45 2.073 -0.816 -11.276 1.00 0.00 C ATOM 753 CD2 TYR A 45 1.493 0.723 -12.999 1.00 0.00 C ATOM 754 CE1 TYR A 45 1.303 -1.791 -11.880 1.00 0.00 C ATOM 755 CE2 TYR A 45 0.716 -0.243 -13.606 1.00 0.00 C ATOM 756 CZ TYR A 45 0.623 -1.498 -13.043 1.00 0.00 C ATOM 757 OH TYR A 45 -0.171 -2.455 -13.634 1.00 0.00 O ATOM 0 H TYR A 45 0.985 3.139 -10.853 1.00 0.00 H new ATOM 0 HA TYR A 45 2.299 1.112 -9.174 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.106 2.375 -11.815 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.009 1.136 -10.965 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.597 -1.045 -10.360 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.564 1.705 -13.443 1.00 0.00 H new ATOM 0 HE1 TYR A 45 1.234 -2.777 -11.444 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.183 -0.017 -14.518 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.083 -2.386 -13.283 1.00 0.00 H new ATOM 767 N VAL A 46 3.306 2.960 -7.816 1.00 0.00 N ATOM 768 CA VAL A 46 4.123 3.857 -7.012 1.00 0.00 C ATOM 769 C VAL A 46 4.670 3.109 -5.807 1.00 0.00 C ATOM 770 O VAL A 46 4.315 1.951 -5.578 1.00 0.00 O ATOM 771 CB VAL A 46 3.336 5.093 -6.513 1.00 0.00 C ATOM 772 CG1 VAL A 46 2.945 5.999 -7.669 1.00 0.00 C ATOM 773 CG2 VAL A 46 2.106 4.670 -5.722 1.00 0.00 C ATOM 0 H VAL A 46 2.744 2.308 -7.269 1.00 0.00 H new ATOM 0 HA VAL A 46 4.931 4.210 -7.653 1.00 0.00 H new ATOM 0 HB VAL A 46 3.991 5.658 -5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.394 6.858 -7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.843 6.343 -8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.317 5.446 -8.368 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.570 5.556 -5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.453 4.072 -6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.414 4.079 -4.859 1.00 0.00 H new ATOM 783 N GLY A 47 5.537 3.755 -5.055 1.00 0.00 N ATOM 784 CA GLY A 47 6.060 3.151 -3.853 1.00 0.00 C ATOM 785 C GLY A 47 7.378 3.754 -3.428 1.00 0.00 C ATOM 786 O GLY A 47 7.958 4.573 -4.145 1.00 0.00 O ATOM 0 H GLY A 47 5.891 4.691 -5.255 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.335 3.266 -3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.189 2.081 -4.015 1.00 0.00 H new ATOM 790 N VAL A 48 7.843 3.345 -2.256 1.00 0.00 N ATOM 791 CA VAL A 48 9.083 3.842 -1.684 1.00 0.00 C ATOM 792 C VAL A 48 9.278 3.214 -0.305 1.00 0.00 C ATOM 793 O VAL A 48 8.294 2.983 0.403 1.00 0.00 O ATOM 794 CB VAL A 48 9.078 5.394 -1.575 1.00 0.00 C ATOM 795 CG1 VAL A 48 7.983 5.883 -0.636 1.00 0.00 C ATOM 796 CG2 VAL A 48 10.436 5.925 -1.136 1.00 0.00 C ATOM 0 H VAL A 48 7.367 2.656 -1.674 1.00 0.00 H new ATOM 0 HA VAL A 48 9.908 3.565 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 48 8.868 5.785 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.008 6.971 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.012 5.560 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.145 5.468 0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.397 7.012 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.690 5.511 -0.160 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.193 5.632 -1.863 1.00 0.00 H new ATOM 806 N PRO A 49 10.528 2.851 0.059 1.00 0.00 N ATOM 807 CA PRO A 49 10.860 2.379 1.407 1.00 0.00 C ATOM 808 C PRO A 49 10.170 3.199 2.497 1.00 0.00 C ATOM 809 O PRO A 49 10.536 4.347 2.761 1.00 0.00 O ATOM 810 CB PRO A 49 12.374 2.561 1.468 1.00 0.00 C ATOM 811 CG PRO A 49 12.827 2.342 0.065 1.00 0.00 C ATOM 812 CD PRO A 49 11.708 2.821 -0.830 1.00 0.00 C ATOM 0 HA PRO A 49 10.531 1.355 1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.641 3.557 1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.834 1.846 2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.746 2.892 -0.136 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.041 1.288 -0.113 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.922 3.807 -1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.555 2.148 -1.674 1.00 0.00 H new ATOM 820 N THR A 50 9.154 2.606 3.106 1.00 0.00 N ATOM 821 CA THR A 50 8.335 3.293 4.089 1.00 0.00 C ATOM 822 C THR A 50 8.187 2.461 5.356 1.00 0.00 C ATOM 823 O THR A 50 8.513 1.272 5.368 1.00 0.00 O ATOM 824 CB THR A 50 6.947 3.603 3.510 1.00 0.00 C ATOM 825 OG1 THR A 50 6.524 2.519 2.673 1.00 0.00 O ATOM 826 CG2 THR A 50 6.969 4.895 2.712 1.00 0.00 C ATOM 0 H THR A 50 8.876 1.640 2.933 1.00 0.00 H new ATOM 0 HA THR A 50 8.835 4.228 4.343 1.00 0.00 H new ATOM 0 HB THR A 50 6.245 3.724 4.335 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.003 2.559 1.819 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.974 5.093 2.312 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.270 5.718 3.360 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.679 4.803 1.890 1.00 0.00 H new ATOM 834 N LYS A 51 7.691 3.086 6.417 1.00 0.00 N ATOM 835 CA LYS A 51 7.610 2.436 7.716 1.00 0.00 C ATOM 836 C LYS A 51 6.197 2.508 8.296 1.00 0.00 C ATOM 837 O LYS A 51 5.977 3.126 9.337 1.00 0.00 O ATOM 838 CB LYS A 51 8.622 3.074 8.672 1.00 0.00 C ATOM 839 CG LYS A 51 10.051 3.001 8.156 1.00 0.00 C ATOM 840 CD LYS A 51 11.010 3.801 9.018 1.00 0.00 C ATOM 841 CE LYS A 51 12.414 3.784 8.435 1.00 0.00 C ATOM 842 NZ LYS A 51 13.346 4.651 9.198 1.00 0.00 N ATOM 0 H LYS A 51 7.339 4.043 6.402 1.00 0.00 H new ATOM 0 HA LYS A 51 7.851 1.381 7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.353 4.118 8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.565 2.575 9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.373 1.960 8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.086 3.375 7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.659 4.830 9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.027 3.389 10.027 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.792 2.762 8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.379 4.115 7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.291 4.609 8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.000 5.632 9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.400 4.320 10.182 1.00 0.00 H new ATOM 856 N SER A 52 5.251 1.884 7.589 1.00 0.00 N ATOM 857 CA SER A 52 3.863 1.736 8.048 1.00 0.00 C ATOM 858 C SER A 52 3.100 3.068 8.069 1.00 0.00 C ATOM 859 O SER A 52 3.680 4.143 8.234 1.00 0.00 O ATOM 860 CB SER A 52 3.821 1.083 9.436 1.00 0.00 C ATOM 861 OG SER A 52 2.489 0.780 9.820 1.00 0.00 O ATOM 0 H SER A 52 5.425 1.464 6.676 1.00 0.00 H new ATOM 0 HA SER A 52 3.363 1.090 7.327 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.417 0.170 9.430 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.271 1.752 10.170 1.00 0.00 H new ATOM 0 HG SER A 52 2.491 0.363 10.707 1.00 0.00 H new ATOM 867 N GLY A 53 1.787 2.974 7.873 1.00 0.00 N ATOM 868 CA GLY A 53 0.922 4.136 7.943 1.00 0.00 C ATOM 869 C GLY A 53 1.203 5.147 6.854 1.00 0.00 C ATOM 870 O GLY A 53 0.904 6.331 7.010 1.00 0.00 O ATOM 0 H GLY A 53 1.303 2.101 7.664 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.117 3.814 7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.043 4.614 8.915 1.00 0.00 H new ATOM 874 N ASN A 54 1.771 4.685 5.751 1.00 0.00 N ATOM 875 CA ASN A 54 2.134 5.581 4.660 1.00 0.00 C ATOM 876 C ASN A 54 1.046 5.596 3.599 1.00 0.00 C ATOM 877 O ASN A 54 0.598 4.549 3.136 1.00 0.00 O ATOM 878 CB ASN A 54 3.485 5.191 4.050 1.00 0.00 C ATOM 879 CG ASN A 54 3.520 3.767 3.529 1.00 0.00 C ATOM 880 OD1 ASN A 54 3.199 3.508 2.372 1.00 0.00 O ATOM 881 ND2 ASN A 54 3.914 2.831 4.384 1.00 0.00 N ATOM 0 H ASN A 54 1.990 3.703 5.586 1.00 0.00 H new ATOM 0 HA ASN A 54 2.232 6.587 5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.718 5.875 3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.264 5.315 4.802 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.958 1.856 4.088 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.172 3.087 5.337 1.00 0.00 H new ATOM 888 N VAL A 55 0.609 6.793 3.237 1.00 0.00 N ATOM 889 CA VAL A 55 -0.480 6.957 2.288 1.00 0.00 C ATOM 890 C VAL A 55 0.006 6.772 0.853 1.00 0.00 C ATOM 891 O VAL A 55 0.797 7.569 0.344 1.00 0.00 O ATOM 892 CB VAL A 55 -1.144 8.343 2.427 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.320 8.478 1.472 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.591 8.577 3.859 1.00 0.00 C ATOM 0 H VAL A 55 0.995 7.669 3.589 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.218 6.188 2.516 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.406 9.102 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.772 9.463 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.971 8.357 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.061 7.710 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.057 9.559 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.310 7.810 4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.727 8.530 4.522 1.00 0.00 H new ATOM 904 N VAL A 56 -0.472 5.716 0.215 1.00 0.00 N ATOM 905 CA VAL A 56 -0.152 5.440 -1.177 1.00 0.00 C ATOM 906 C VAL A 56 -1.037 6.282 -2.092 1.00 0.00 C ATOM 907 O VAL A 56 -0.553 6.953 -3.004 1.00 0.00 O ATOM 908 CB VAL A 56 -0.347 3.942 -1.504 1.00 0.00 C ATOM 909 CG1 VAL A 56 0.051 3.638 -2.940 1.00 0.00 C ATOM 910 CG2 VAL A 56 0.443 3.071 -0.538 1.00 0.00 C ATOM 0 H VAL A 56 -1.090 5.028 0.645 1.00 0.00 H new ATOM 0 HA VAL A 56 0.894 5.697 -1.342 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.406 3.712 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.097 2.577 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.565 4.226 -3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.100 3.893 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.291 2.021 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.503 3.312 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.102 3.255 0.481 1.00 0.00 H new ATOM 920 N CYS A 57 -2.336 6.240 -1.840 1.00 0.00 N ATOM 921 CA CYS A 57 -3.289 7.050 -2.583 1.00 0.00 C ATOM 922 C CYS A 57 -4.209 7.776 -1.613 1.00 0.00 C ATOM 923 O CYS A 57 -4.864 7.147 -0.780 1.00 0.00 O ATOM 924 CB CYS A 57 -4.108 6.183 -3.545 1.00 0.00 C ATOM 925 SG CYS A 57 -5.153 7.125 -4.681 1.00 0.00 S ATOM 0 H CYS A 57 -2.756 5.650 -1.122 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.739 7.783 -3.174 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.427 5.561 -4.126 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.737 5.509 -2.964 1.00 0.00 H new ATOM 0 HG CYS A 57 -6.080 6.350 -5.162 1.00 0.00 H new ATOM 931 N LYS A 58 -4.245 9.097 -1.709 1.00 0.00 N ATOM 932 CA LYS A 58 -5.039 9.903 -0.796 1.00 0.00 C ATOM 933 C LYS A 58 -6.283 10.443 -1.493 1.00 0.00 C ATOM 934 O LYS A 58 -6.207 10.911 -2.629 1.00 0.00 O ATOM 935 CB LYS A 58 -4.196 11.055 -0.241 1.00 0.00 C ATOM 936 CG LYS A 58 -4.912 11.877 0.813 1.00 0.00 C ATOM 937 CD LYS A 58 -3.976 12.844 1.516 1.00 0.00 C ATOM 938 CE LYS A 58 -4.642 13.462 2.736 1.00 0.00 C ATOM 939 NZ LYS A 58 -5.017 12.432 3.746 1.00 0.00 N ATOM 0 H LYS A 58 -3.733 9.633 -2.410 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.360 9.271 0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.279 10.650 0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.903 11.709 -1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.725 12.434 0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.363 11.210 1.548 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.069 12.321 1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.675 13.631 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.966 14.187 3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.533 14.008 2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.358 12.901 4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.769 11.826 3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.186 11.850 3.973 1.00 0.00 H new ATOM 953 N ASN A 59 -7.422 10.354 -0.803 1.00 0.00 N ATOM 954 CA ASN A 59 -8.702 10.870 -1.307 1.00 0.00 C ATOM 955 C ASN A 59 -9.136 10.109 -2.561 1.00 0.00 C ATOM 956 O ASN A 59 -9.806 10.652 -3.439 1.00 0.00 O ATOM 957 CB ASN A 59 -8.604 12.381 -1.595 1.00 0.00 C ATOM 958 CG ASN A 59 -9.963 13.071 -1.623 1.00 0.00 C ATOM 959 OD1 ASN A 59 -10.612 13.171 -2.665 1.00 0.00 O ATOM 960 ND2 ASN A 59 -10.394 13.566 -0.475 1.00 0.00 N ATOM 0 H ASN A 59 -7.486 9.923 0.119 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.458 10.717 -0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.980 12.851 -0.835 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.107 12.531 -2.553 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.291 14.050 -0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.829 13.464 0.368 1.00 0.00 H new ATOM 967 N ILE A 60 -8.778 8.833 -2.622 1.00 0.00 N ATOM 968 CA ILE A 60 -9.116 7.998 -3.767 1.00 0.00 C ATOM 969 C ILE A 60 -10.636 7.906 -3.941 1.00 0.00 C ATOM 970 O ILE A 60 -11.373 7.753 -2.964 1.00 0.00 O ATOM 971 CB ILE A 60 -8.498 6.585 -3.631 1.00 0.00 C ATOM 972 CG1 ILE A 60 -8.892 5.701 -4.820 1.00 0.00 C ATOM 973 CG2 ILE A 60 -8.908 5.938 -2.317 1.00 0.00 C ATOM 974 CD1 ILE A 60 -8.284 4.314 -4.779 1.00 0.00 C ATOM 0 H ILE A 60 -8.253 8.353 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.694 8.466 -4.657 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.413 6.690 -3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.978 5.611 -4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.588 6.194 -5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.461 4.946 -2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.563 6.553 -1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.994 5.851 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.609 3.748 -5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.197 4.393 -4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.608 3.801 -3.874 1.00 0.00 H new ATOM 986 N MET A 61 -11.090 8.057 -5.186 1.00 0.00 N ATOM 987 CA MET A 61 -12.514 7.984 -5.531 1.00 0.00 C ATOM 988 C MET A 61 -13.325 9.087 -4.848 1.00 0.00 C ATOM 989 O MET A 61 -14.549 8.989 -4.740 1.00 0.00 O ATOM 990 CB MET A 61 -13.089 6.603 -5.192 1.00 0.00 C ATOM 991 CG MET A 61 -12.498 5.478 -6.026 1.00 0.00 C ATOM 992 SD MET A 61 -13.267 3.886 -5.689 1.00 0.00 S ATOM 993 CE MET A 61 -14.983 4.260 -6.040 1.00 0.00 C ATOM 0 H MET A 61 -10.482 8.234 -5.986 1.00 0.00 H new ATOM 0 HA MET A 61 -12.592 8.139 -6.607 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.912 6.394 -4.137 1.00 0.00 H new ATOM 0 HB3 MET A 61 -14.169 6.623 -5.336 1.00 0.00 H new ATOM 0 HG2 MET A 61 -12.613 5.716 -7.083 1.00 0.00 H new ATOM 0 HG3 MET A 61 -11.428 5.409 -5.830 1.00 0.00 H new ATOM 0 HE1 MET A 61 -15.552 3.332 -6.103 1.00 0.00 H new ATOM 0 HE2 MET A 61 -15.390 4.882 -5.243 1.00 0.00 H new ATOM 0 HE3 MET A 61 -15.053 4.794 -6.988 1.00 0.00 H new ATOM 1003 N ASN A 62 -12.629 10.130 -4.390 1.00 0.00 N ATOM 1004 CA ASN A 62 -13.255 11.327 -3.812 1.00 0.00 C ATOM 1005 C ASN A 62 -13.885 11.063 -2.443 1.00 0.00 C ATOM 1006 O ASN A 62 -14.378 11.989 -1.800 1.00 0.00 O ATOM 1007 CB ASN A 62 -14.310 11.926 -4.756 1.00 0.00 C ATOM 1008 CG ASN A 62 -13.721 12.452 -6.052 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -13.627 11.730 -7.044 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -13.313 13.709 -6.051 1.00 0.00 N ATOM 0 H ASN A 62 -11.610 10.171 -4.409 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.447 12.046 -3.676 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -15.057 11.166 -4.986 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.828 12.737 -4.244 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.903 14.113 -6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.408 14.275 -5.208 1.00 0.00 H new ATOM 1017 N THR A 63 -13.849 9.819 -1.979 1.00 0.00 N ATOM 1018 CA THR A 63 -14.439 9.476 -0.689 1.00 0.00 C ATOM 1019 C THR A 63 -13.496 9.867 0.456 1.00 0.00 C ATOM 1020 O THR A 63 -13.856 9.815 1.636 1.00 0.00 O ATOM 1021 CB THR A 63 -14.791 7.970 -0.608 1.00 0.00 C ATOM 1022 OG1 THR A 63 -15.448 7.677 0.632 1.00 0.00 O ATOM 1023 CG2 THR A 63 -13.549 7.102 -0.744 1.00 0.00 C ATOM 0 H THR A 63 -13.421 9.036 -2.472 1.00 0.00 H new ATOM 0 HA THR A 63 -15.366 10.041 -0.589 1.00 0.00 H new ATOM 0 HB THR A 63 -15.462 7.744 -1.437 1.00 0.00 H new ATOM 0 HG1 THR A 63 -15.099 8.265 1.334 1.00 0.00 H new ATOM 0 HG21 THR A 63 -13.831 6.051 -0.683 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.074 7.295 -1.706 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.851 7.338 0.059 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.284 10.262 0.096 1.00 0.00 N ATOM 1032 CA GLY A 64 -11.335 10.741 1.079 1.00 0.00 C ATOM 1033 C GLY A 64 -10.589 9.621 1.772 1.00 0.00 C ATOM 1034 O GLY A 64 -9.813 9.868 2.691 1.00 0.00 O ATOM 0 H GLY A 64 -11.940 10.259 -0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.618 11.402 0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.862 11.336 1.825 1.00 0.00 H new ATOM 1038 N VAL A 65 -10.838 8.386 1.355 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.121 7.249 1.907 1.00 0.00 C ATOM 1040 C VAL A 65 -8.656 7.308 1.509 1.00 0.00 C ATOM 1041 O VAL A 65 -8.326 7.514 0.341 1.00 0.00 O ATOM 1042 CB VAL A 65 -10.737 5.899 1.459 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -9.741 4.759 1.606 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -11.980 5.590 2.276 1.00 0.00 C ATOM 0 H VAL A 65 -11.527 8.149 0.641 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.207 7.307 2.992 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.004 5.992 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.205 3.827 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.864 4.960 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.439 4.672 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.402 4.639 1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.715 5.527 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.716 6.382 2.133 1.00 0.00 H new ATOM 1054 N ASP A 66 -7.790 7.175 2.493 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.373 7.093 2.236 1.00 0.00 C ATOM 1056 C ASP A 66 -5.964 5.632 2.278 1.00 0.00 C ATOM 1057 O ASP A 66 -6.212 4.939 3.269 1.00 0.00 O ATOM 1058 CB ASP A 66 -5.568 7.881 3.274 1.00 0.00 C ATOM 1059 CG ASP A 66 -6.208 9.195 3.672 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -6.123 10.171 2.900 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -6.779 9.262 4.783 1.00 0.00 O ATOM 0 H ASP A 66 -8.047 7.122 3.479 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.166 7.526 1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.439 7.266 4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.573 8.078 2.876 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.391 5.148 1.196 1.00 0.00 N ATOM 1067 CA ILE A 67 -4.901 3.783 1.161 1.00 0.00 C ATOM 1068 C ILE A 67 -3.477 3.752 1.695 1.00 0.00 C ATOM 1069 O ILE A 67 -2.548 4.213 1.033 1.00 0.00 O ATOM 1070 CB ILE A 67 -4.949 3.191 -0.267 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.388 3.190 -0.800 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.375 1.779 -0.283 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.353 2.389 0.051 1.00 0.00 C ATOM 0 H ILE A 67 -5.253 5.674 0.333 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.549 3.169 1.787 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.339 3.817 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.743 4.219 -0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.390 2.787 -1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.418 1.380 -1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.339 1.804 0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.958 1.142 0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.350 2.435 -0.388 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.023 1.351 0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.381 2.804 1.058 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.317 3.233 2.899 1.00 0.00 N ATOM 1086 CA ILE A 68 -2.035 3.272 3.575 1.00 0.00 C ATOM 1087 C ILE A 68 -1.388 1.896 3.648 1.00 0.00 C ATOM 1088 O ILE A 68 -2.037 0.898 3.958 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.160 3.850 5.002 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.189 3.065 5.823 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.538 5.322 4.944 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.303 3.527 7.259 1.00 0.00 C ATOM 0 H ILE A 68 -4.061 2.779 3.429 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.399 3.927 2.980 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.192 3.756 5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.165 3.152 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.921 2.009 5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.623 5.716 5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.769 5.874 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.493 5.432 4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.050 2.925 7.777 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.339 3.414 7.755 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.602 4.575 7.281 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.105 1.853 3.346 1.00 0.00 N ATOM 1105 CA CYS A 69 0.681 0.648 3.519 1.00 0.00 C ATOM 1106 C CYS A 69 1.098 0.527 4.976 1.00 0.00 C ATOM 1107 O CYS A 69 1.526 1.507 5.586 1.00 0.00 O ATOM 1108 CB CYS A 69 1.907 0.687 2.610 1.00 0.00 C ATOM 1109 SG CYS A 69 3.159 -0.550 3.001 1.00 0.00 S ATOM 0 H CYS A 69 0.419 2.647 2.976 1.00 0.00 H new ATOM 0 HA CYS A 69 0.083 -0.222 3.247 1.00 0.00 H new ATOM 0 HB2 CYS A 69 1.585 0.547 1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.359 1.677 2.671 1.00 0.00 H new ATOM 0 HG CYS A 69 3.789 -0.203 4.084 1.00 0.00 H new ATOM 1115 N THR A 70 0.969 -0.661 5.544 1.00 0.00 N ATOM 1116 CA THR A 70 1.252 -0.845 6.958 1.00 0.00 C ATOM 1117 C THR A 70 2.503 -1.702 7.166 1.00 0.00 C ATOM 1118 O THR A 70 2.996 -1.844 8.287 1.00 0.00 O ATOM 1119 CB THR A 70 0.043 -1.474 7.692 1.00 0.00 C ATOM 1120 OG1 THR A 70 0.268 -1.491 9.107 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.227 -2.889 7.195 1.00 0.00 C ATOM 0 H THR A 70 0.673 -1.505 5.053 1.00 0.00 H new ATOM 0 HA THR A 70 1.438 0.141 7.384 1.00 0.00 H new ATOM 0 HB THR A 70 -0.832 -0.860 7.477 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.226 -1.596 9.285 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.082 -3.305 7.729 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.443 -2.864 6.127 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.650 -3.511 7.374 1.00 0.00 H new ATOM 1129 N LYS A 71 3.041 -2.237 6.083 1.00 0.00 N ATOM 1130 CA LYS A 71 4.237 -3.060 6.171 1.00 0.00 C ATOM 1131 C LYS A 71 5.460 -2.209 5.863 1.00 0.00 C ATOM 1132 O LYS A 71 5.436 -1.371 4.967 1.00 0.00 O ATOM 1133 CB LYS A 71 4.157 -4.247 5.207 1.00 0.00 C ATOM 1134 CG LYS A 71 5.372 -5.158 5.260 1.00 0.00 C ATOM 1135 CD LYS A 71 5.308 -6.235 4.190 1.00 0.00 C ATOM 1136 CE LYS A 71 6.569 -7.081 4.169 1.00 0.00 C ATOM 1137 NZ LYS A 71 6.724 -7.896 5.402 1.00 0.00 N ATOM 0 H LYS A 71 2.673 -2.118 5.139 1.00 0.00 H new ATOM 0 HA LYS A 71 4.317 -3.457 7.183 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.266 -4.831 5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.039 -3.871 4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.278 -4.566 5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.436 -5.624 6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.444 -6.875 4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.165 -5.771 3.214 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.547 -7.740 3.301 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.437 -6.432 4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.552 -8.518 5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.857 -7.267 6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.871 -8.474 5.545 1.00 0.00 H new ATOM 1151 N ASN A 72 6.517 -2.416 6.627 1.00 0.00 N ATOM 1152 CA ASN A 72 7.726 -1.619 6.480 1.00 0.00 C ATOM 1153 C ASN A 72 8.611 -2.219 5.401 1.00 0.00 C ATOM 1154 O ASN A 72 8.907 -3.416 5.423 1.00 0.00 O ATOM 1155 CB ASN A 72 8.488 -1.525 7.811 1.00 0.00 C ATOM 1156 CG ASN A 72 7.722 -0.775 8.895 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.403 -0.906 8.908 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 8.317 -0.096 9.726 1.00 0.00 N flip ATOM 0 H ASN A 72 6.565 -3.128 7.356 1.00 0.00 H new ATOM 0 HA ASN A 72 7.442 -0.609 6.186 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.712 -2.531 8.165 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.443 -1.027 7.640 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.333 -0.017 9.687 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.795 0.389 10.456 1.00 0.00 H new ATOM 1165 N LEU A 73 9.021 -1.388 4.453 1.00 0.00 N ATOM 1166 CA LEU A 73 9.804 -1.850 3.317 1.00 0.00 C ATOM 1167 C LEU A 73 11.242 -1.358 3.410 1.00 0.00 C ATOM 1168 O LEU A 73 11.525 -0.194 3.131 1.00 0.00 O ATOM 1169 CB LEU A 73 9.180 -1.372 2.003 1.00 0.00 C ATOM 1170 CG LEU A 73 7.754 -1.864 1.740 1.00 0.00 C ATOM 1171 CD1 LEU A 73 7.219 -1.273 0.446 1.00 0.00 C ATOM 1172 CD2 LEU A 73 7.716 -3.384 1.686 1.00 0.00 C ATOM 0 H LEU A 73 8.823 -0.387 4.449 1.00 0.00 H new ATOM 0 HA LEU A 73 9.805 -2.940 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.178 -0.282 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.816 -1.695 1.179 1.00 0.00 H new ATOM 0 HG LEU A 73 7.118 -1.532 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.205 -1.633 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.211 -0.185 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.857 -1.576 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.695 -3.716 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.365 -3.736 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.061 -3.791 2.637 1.00 0.00 H new ATOM 1184 N PRO A 74 12.166 -2.236 3.822 1.00 0.00 N ATOM 1185 CA PRO A 74 13.583 -1.912 3.891 1.00 0.00 C ATOM 1186 C PRO A 74 14.316 -2.226 2.587 1.00 0.00 C ATOM 1187 O PRO A 74 13.731 -2.756 1.635 1.00 0.00 O ATOM 1188 CB PRO A 74 14.071 -2.827 5.009 1.00 0.00 C ATOM 1189 CG PRO A 74 13.209 -4.045 4.904 1.00 0.00 C ATOM 1190 CD PRO A 74 11.902 -3.611 4.278 1.00 0.00 C ATOM 0 HA PRO A 74 13.763 -0.851 4.064 1.00 0.00 H new ATOM 0 HB2 PRO A 74 15.125 -3.076 4.886 1.00 0.00 H new ATOM 0 HB3 PRO A 74 13.968 -2.351 5.984 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.693 -4.808 4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.039 -4.483 5.888 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.622 -4.260 3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.084 -3.643 4.998 1.00 0.00 H new ATOM 1198 N LYS A 75 15.602 -1.905 2.552 1.00 0.00 N ATOM 1199 CA LYS A 75 16.435 -2.202 1.399 1.00 0.00 C ATOM 1200 C LYS A 75 17.583 -3.111 1.809 1.00 0.00 C ATOM 1201 O LYS A 75 17.932 -3.188 2.987 1.00 0.00 O ATOM 1202 CB LYS A 75 16.992 -0.915 0.779 1.00 0.00 C ATOM 1203 CG LYS A 75 15.926 0.027 0.239 1.00 0.00 C ATOM 1204 CD LYS A 75 16.533 1.287 -0.373 1.00 0.00 C ATOM 1205 CE LYS A 75 17.053 1.062 -1.791 1.00 0.00 C ATOM 1206 NZ LYS A 75 18.172 0.081 -1.859 1.00 0.00 N ATOM 0 H LYS A 75 16.092 -1.436 3.314 1.00 0.00 H new ATOM 0 HA LYS A 75 15.819 -2.706 0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 75 17.581 -0.388 1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 75 17.672 -1.179 -0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.332 -0.491 -0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.247 0.306 1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.782 2.077 -0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 75 17.350 1.635 0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 75 16.234 0.713 -2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.388 2.014 -2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 18.786 0.311 -2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 18.725 0.124 -0.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.787 -0.877 -1.979 1.00 0.00 H new ATOM 1220 N ASP A 76 18.167 -3.793 0.839 1.00 0.00 N ATOM 1221 CA ASP A 76 19.267 -4.707 1.109 1.00 0.00 C ATOM 1222 C ASP A 76 20.571 -4.103 0.579 1.00 0.00 C ATOM 1223 O ASP A 76 20.663 -2.883 0.417 1.00 0.00 O ATOM 1224 CB ASP A 76 18.977 -6.069 0.462 1.00 0.00 C ATOM 1225 CG ASP A 76 19.785 -7.203 1.069 1.00 0.00 C ATOM 1226 OD1 ASP A 76 19.310 -7.822 2.045 1.00 0.00 O ATOM 1227 OD2 ASP A 76 20.887 -7.489 0.562 1.00 0.00 O ATOM 0 H ASP A 76 17.899 -3.732 -0.143 1.00 0.00 H new ATOM 0 HA ASP A 76 19.372 -4.860 2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 76 17.915 -6.293 0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 76 19.190 -6.010 -0.605 1.00 0.00 H new ATOM 1232 N SER A 77 21.568 -4.950 0.325 1.00 0.00 N ATOM 1233 CA SER A 77 22.867 -4.518 -0.192 1.00 0.00 C ATOM 1234 C SER A 77 23.640 -3.713 0.851 1.00 0.00 C ATOM 1235 O SER A 77 24.564 -2.966 0.522 1.00 0.00 O ATOM 1236 CB SER A 77 22.693 -3.717 -1.487 1.00 0.00 C ATOM 1237 OG SER A 77 21.988 -4.480 -2.456 1.00 0.00 O ATOM 0 H SER A 77 21.498 -5.957 0.472 1.00 0.00 H new ATOM 0 HA SER A 77 23.452 -5.409 -0.418 1.00 0.00 H new ATOM 0 HB2 SER A 77 22.152 -2.793 -1.280 1.00 0.00 H new ATOM 0 HB3 SER A 77 23.670 -3.434 -1.880 1.00 0.00 H new ATOM 0 HG SER A 77 21.884 -3.953 -3.276 1.00 0.00 H new ATOM 1243 N LEU A 78 23.263 -3.881 2.110 1.00 0.00 N ATOM 1244 CA LEU A 78 23.976 -3.254 3.208 1.00 0.00 C ATOM 1245 C LEU A 78 25.109 -4.165 3.660 1.00 0.00 C ATOM 1246 O LEU A 78 24.930 -5.381 3.763 1.00 0.00 O ATOM 1247 CB LEU A 78 23.026 -2.970 4.374 1.00 0.00 C ATOM 1248 CG LEU A 78 21.866 -2.021 4.057 1.00 0.00 C ATOM 1249 CD1 LEU A 78 20.980 -1.836 5.278 1.00 0.00 C ATOM 1250 CD2 LEU A 78 22.391 -0.676 3.573 1.00 0.00 C ATOM 0 H LEU A 78 22.465 -4.448 2.395 1.00 0.00 H new ATOM 0 HA LEU A 78 24.389 -2.304 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 78 22.614 -3.916 4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 78 23.603 -2.549 5.197 1.00 0.00 H new ATOM 0 HG LEU A 78 21.269 -2.465 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 78 20.161 -1.159 5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 78 20.574 -2.801 5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 78 21.568 -1.416 6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 78 21.552 -0.016 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 78 23.012 -0.227 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 78 22.985 -0.821 2.671 1.00 0.00 H new ATOM 1262 N GLU A 79 26.260 -3.581 3.946 1.00 0.00 N ATOM 1263 CA GLU A 79 27.460 -4.352 4.263 1.00 0.00 C ATOM 1264 C GLU A 79 27.481 -4.805 5.720 1.00 0.00 C ATOM 1265 O GLU A 79 28.528 -4.800 6.369 1.00 0.00 O ATOM 1266 CB GLU A 79 28.731 -3.551 3.938 1.00 0.00 C ATOM 1267 CG GLU A 79 28.799 -2.171 4.579 1.00 0.00 C ATOM 1268 CD GLU A 79 27.923 -1.155 3.879 1.00 0.00 C ATOM 1269 OE1 GLU A 79 28.257 -0.761 2.743 1.00 0.00 O ATOM 1270 OE2 GLU A 79 26.888 -0.761 4.454 1.00 0.00 O ATOM 0 H GLU A 79 26.394 -2.570 3.966 1.00 0.00 H new ATOM 0 HA GLU A 79 27.437 -5.245 3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 79 29.599 -4.128 4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 79 28.805 -3.438 2.856 1.00 0.00 H new ATOM 0 HG2 GLU A 79 28.497 -2.246 5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 79 29.831 -1.822 4.570 1.00 0.00 H new ATOM 1277 N HIS A 80 26.331 -5.225 6.228 1.00 0.00 N ATOM 1278 CA HIS A 80 26.262 -5.766 7.577 1.00 0.00 C ATOM 1279 C HIS A 80 26.840 -7.175 7.584 1.00 0.00 C ATOM 1280 O HIS A 80 27.359 -7.647 8.593 1.00 0.00 O ATOM 1281 CB HIS A 80 24.821 -5.780 8.096 1.00 0.00 C ATOM 1282 CG HIS A 80 24.726 -6.043 9.570 1.00 0.00 C ATOM 1283 ND1 HIS A 80 24.313 -7.244 10.099 1.00 0.00 N ATOM 1284 CD2 HIS A 80 25.000 -5.246 10.628 1.00 0.00 C ATOM 1285 CE1 HIS A 80 24.338 -7.176 11.414 1.00 0.00 C ATOM 1286 NE2 HIS A 80 24.754 -5.974 11.765 1.00 0.00 N ATOM 0 H HIS A 80 25.440 -5.202 5.731 1.00 0.00 H new ATOM 0 HA HIS A 80 26.846 -5.127 8.240 1.00 0.00 H new ATOM 0 HB2 HIS A 80 24.352 -4.821 7.874 1.00 0.00 H new ATOM 0 HB3 HIS A 80 24.256 -6.543 7.560 1.00 0.00 H new ATOM 0 HD2 HIS A 80 25.348 -4.225 10.586 1.00 0.00 H new ATOM 0 HE1 HIS A 80 24.064 -7.971 12.092 1.00 0.00 H new ATOM 0 HE2 HIS A 80 24.873 -5.641 12.722 1.00 0.00 H new ATOM 1295 N HIS A 81 26.746 -7.839 6.442 1.00 0.00 N ATOM 1296 CA HIS A 81 27.336 -9.155 6.268 1.00 0.00 C ATOM 1297 C HIS A 81 28.617 -9.044 5.449 1.00 0.00 C ATOM 1298 O HIS A 81 28.578 -8.741 4.255 1.00 0.00 O ATOM 1299 CB HIS A 81 26.338 -10.098 5.585 1.00 0.00 C ATOM 1300 CG HIS A 81 26.919 -11.428 5.201 1.00 0.00 C ATOM 1301 ND1 HIS A 81 27.552 -12.370 5.942 1.00 0.00 N flip ATOM 1302 CD2 HIS A 81 26.883 -11.920 3.914 1.00 0.00 C flip ATOM 1303 CE1 HIS A 81 27.881 -13.397 5.095 1.00 0.00 C flip ATOM 1304 NE2 HIS A 81 27.465 -13.101 3.879 1.00 0.00 N flip ATOM 0 H HIS A 81 26.263 -7.484 5.617 1.00 0.00 H new ATOM 0 HA HIS A 81 27.582 -9.568 7.247 1.00 0.00 H new ATOM 0 HB2 HIS A 81 25.493 -10.262 6.253 1.00 0.00 H new ATOM 0 HB3 HIS A 81 25.948 -9.612 4.691 1.00 0.00 H new ATOM 0 HD2 HIS A 81 26.445 -11.415 3.065 1.00 0.00 H new ATOM 0 HE1 HIS A 81 28.397 -14.302 5.378 1.00 0.00 H new ATOM 0 HE2 HIS A 81 27.575 -13.687 3.052 1.00 0.00 H new ATOM 1313 N HIS A 82 29.750 -9.276 6.097 1.00 0.00 N ATOM 1314 CA HIS A 82 31.040 -9.215 5.425 1.00 0.00 C ATOM 1315 C HIS A 82 31.458 -10.598 4.948 1.00 0.00 C ATOM 1316 O HIS A 82 31.975 -11.401 5.723 1.00 0.00 O ATOM 1317 CB HIS A 82 32.122 -8.644 6.350 1.00 0.00 C ATOM 1318 CG HIS A 82 31.874 -7.234 6.783 1.00 0.00 C ATOM 1319 ND1 HIS A 82 32.054 -6.148 5.955 1.00 0.00 N ATOM 1320 CD2 HIS A 82 31.465 -6.734 7.970 1.00 0.00 C ATOM 1321 CE1 HIS A 82 31.775 -5.041 6.616 1.00 0.00 C ATOM 1322 NE2 HIS A 82 31.412 -5.370 7.841 1.00 0.00 N ATOM 0 H HIS A 82 29.802 -9.509 7.089 1.00 0.00 H new ATOM 0 HA HIS A 82 30.932 -8.553 4.566 1.00 0.00 H new ATOM 0 HB2 HIS A 82 32.199 -9.276 7.235 1.00 0.00 H new ATOM 0 HB3 HIS A 82 33.084 -8.692 5.839 1.00 0.00 H new ATOM 0 HD1 HIS A 82 32.356 -6.193 4.982 1.00 0.00 H new ATOM 0 HD2 HIS A 82 31.225 -7.303 8.856 1.00 0.00 H new ATOM 0 HE1 HIS A 82 31.834 -4.037 6.222 1.00 0.00 H new ATOM 1331 N HIS A 83 31.195 -10.883 3.684 1.00 0.00 N ATOM 1332 CA HIS A 83 31.627 -12.138 3.084 1.00 0.00 C ATOM 1333 C HIS A 83 32.942 -11.921 2.346 1.00 0.00 C ATOM 1334 O HIS A 83 33.983 -12.442 2.744 1.00 0.00 O ATOM 1335 CB HIS A 83 30.549 -12.678 2.136 1.00 0.00 C ATOM 1336 CG HIS A 83 30.884 -13.997 1.501 1.00 0.00 C ATOM 1337 ND1 HIS A 83 30.601 -15.210 2.089 1.00 0.00 N ATOM 1338 CD2 HIS A 83 31.461 -14.287 0.310 1.00 0.00 C ATOM 1339 CE1 HIS A 83 30.989 -16.185 1.289 1.00 0.00 C ATOM 1340 NE2 HIS A 83 31.515 -15.652 0.199 1.00 0.00 N ATOM 0 H HIS A 83 30.685 -10.265 3.053 1.00 0.00 H new ATOM 0 HA HIS A 83 31.782 -12.879 3.869 1.00 0.00 H new ATOM 0 HB2 HIS A 83 29.615 -12.782 2.689 1.00 0.00 H new ATOM 0 HB3 HIS A 83 30.374 -11.944 1.349 1.00 0.00 H new ATOM 0 HD2 HIS A 83 31.814 -13.573 -0.419 1.00 0.00 H new ATOM 0 HE1 HIS A 83 30.893 -17.242 1.491 1.00 0.00 H new ATOM 0 HE2 HIS A 83 31.897 -16.170 -0.592 1.00 0.00 H new ATOM 1349 N HIS A 84 32.887 -11.153 1.270 1.00 0.00 N ATOM 1350 CA HIS A 84 34.087 -10.740 0.558 1.00 0.00 C ATOM 1351 C HIS A 84 34.038 -9.229 0.363 1.00 0.00 C ATOM 1352 O HIS A 84 34.546 -8.676 -0.615 1.00 0.00 O ATOM 1353 CB HIS A 84 34.195 -11.473 -0.782 1.00 0.00 C ATOM 1354 CG HIS A 84 35.547 -11.365 -1.421 1.00 0.00 C ATOM 1355 ND1 HIS A 84 36.669 -11.967 -0.899 1.00 0.00 N ATOM 1356 CD2 HIS A 84 35.956 -10.718 -2.538 1.00 0.00 C ATOM 1357 CE1 HIS A 84 37.709 -11.699 -1.665 1.00 0.00 C ATOM 1358 NE2 HIS A 84 37.303 -10.943 -2.667 1.00 0.00 N ATOM 0 H HIS A 84 32.018 -10.801 0.868 1.00 0.00 H new ATOM 0 HA HIS A 84 34.974 -10.998 1.137 1.00 0.00 H new ATOM 0 HB2 HIS A 84 33.958 -12.526 -0.630 1.00 0.00 H new ATOM 0 HB3 HIS A 84 33.447 -11.073 -1.466 1.00 0.00 H new ATOM 0 HD2 HIS A 84 35.337 -10.134 -3.203 1.00 0.00 H new ATOM 0 HE1 HIS A 84 38.720 -12.040 -1.500 1.00 0.00 H new ATOM 0 HE2 HIS A 84 37.895 -10.584 -3.416 1.00 0.00 H new ATOM 1367 N HIS A 85 33.404 -8.576 1.324 1.00 0.00 N ATOM 1368 CA HIS A 85 33.281 -7.132 1.347 1.00 0.00 C ATOM 1369 C HIS A 85 33.314 -6.672 2.797 1.00 0.00 C ATOM 1370 O HIS A 85 34.418 -6.476 3.333 1.00 0.00 O ATOM 1371 CB HIS A 85 31.973 -6.690 0.670 1.00 0.00 C ATOM 1372 CG HIS A 85 31.824 -5.201 0.524 1.00 0.00 C ATOM 1373 ND1 HIS A 85 31.895 -4.201 1.437 1.00 0.00 N flip ATOM 1374 CD2 HIS A 85 31.543 -4.592 -0.677 1.00 0.00 C flip ATOM 1375 CE1 HIS A 85 31.658 -3.025 0.776 1.00 0.00 C flip ATOM 1376 NE2 HIS A 85 31.450 -3.289 -0.500 1.00 0.00 N flip ATOM 1377 OXT HIS A 85 32.232 -6.535 3.402 1.00 0.00 O ATOM 0 H HIS A 85 32.958 -9.040 2.115 1.00 0.00 H new ATOM 0 HA HIS A 85 34.106 -6.681 0.796 1.00 0.00 H new ATOM 0 HB2 HIS A 85 31.916 -7.148 -0.318 1.00 0.00 H new ATOM 0 HB3 HIS A 85 31.131 -7.073 1.247 1.00 0.00 H new ATOM 0 HD2 HIS A 85 31.418 -5.103 -1.620 1.00 0.00 H new ATOM 0 HE1 HIS A 85 31.644 -2.043 1.225 1.00 0.00 H new ATOM 0 HE2 HIS A 85 31.251 -2.601 -1.226 1.00 0.00 H new TER 1386 HIS A 85