USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 783 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 22 TYR OH : rot 30:sc= -0.177 USER MOD Set 1.2: A 80 HIS : no HE2:sc= -0.144 X(o=-0.32,f=-0.69) USER MOD Set 2.1: A 48 THR OG1 : rot 62:sc= 0.888 USER MOD Set 2.2: A 53 ASN :FLIP amide:sc= 0.712 F(o=0.6,f=1.6) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.502 F(o=-1.3,f=-0.5) USER MOD Single : A 23 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0317) USER MOD Single : A 24 SER OG : rot 97:sc= 1.28 USER MOD Single : A 31 ASN :FLIP amide:sc= -1.33 F(o=-3.6!,f=-1.3) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 159:sc= 0.967 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 142:sc= 0.279 (180deg=-0.202) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -85:sc= 1.31 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -18:sc= 0.491 USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= -0.0246 (180deg=-0.207) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -10:sc= -1.24! USER MOD Single : A 77 MET CE :methyl -168:sc= -0.423 (180deg=-0.443) USER MOD Single : A 78 SER OG : rot 180:sc= -0.421 USER MOD Single : A 81 MET CE :methyl -120:sc= -0.305 (180deg=-0.703) USER MOD Single : A 84 MET CE :methyl 170:sc= -3.6 (180deg=-4.33!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 139:sc= -1.67 (180deg=-4.42!) USER MOD Single : A 91 LYS NZ :NH3+ -160:sc= 1.54 (180deg=1.1) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0.97 K(o=0.97,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot -16:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 7 1.392 3.012 14.027 1.00 0.00 N ATOM 84 CA PRO A 7 2.717 2.809 13.489 1.00 0.00 C ATOM 85 C PRO A 7 2.691 2.307 12.055 1.00 0.00 C ATOM 86 O PRO A 7 2.866 1.114 11.801 1.00 0.00 O ATOM 87 CB PRO A 7 3.253 1.723 14.425 1.00 0.00 C ATOM 88 CG PRO A 7 2.034 0.968 14.897 1.00 0.00 C ATOM 89 CD PRO A 7 0.820 1.715 14.383 1.00 0.00 C ATOM 0 HA PRO A 7 3.310 3.722 13.448 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.948 1.063 13.905 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.795 2.159 15.264 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.045 -0.055 14.520 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.016 0.907 15.985 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.368 1.218 13.524 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.044 1.806 15.143 1.00 0.00 H new ATOM 97 N GLY A 8 2.457 3.205 11.114 1.00 0.00 N ATOM 98 CA GLY A 8 2.507 2.807 9.729 1.00 0.00 C ATOM 99 C GLY A 8 3.905 2.929 9.186 1.00 0.00 C ATOM 100 O GLY A 8 4.274 2.258 8.227 1.00 0.00 O ATOM 0 H GLY A 8 2.237 4.187 11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.162 1.778 9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.829 3.428 9.143 1.00 0.00 H new ATOM 104 N ALA A 9 4.676 3.785 9.847 1.00 0.00 N ATOM 105 CA ALA A 9 6.027 4.135 9.443 1.00 0.00 C ATOM 106 C ALA A 9 6.521 5.267 10.337 1.00 0.00 C ATOM 107 O ALA A 9 6.403 5.199 11.561 1.00 0.00 O ATOM 108 CB ALA A 9 6.055 4.560 7.976 1.00 0.00 C ATOM 0 H ALA A 9 4.371 4.263 10.695 1.00 0.00 H new ATOM 0 HA ALA A 9 6.680 3.269 9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.075 4.818 7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.701 3.739 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.409 5.426 7.836 1.00 0.00 H new ATOM 114 N ASP A 10 7.034 6.314 9.721 1.00 0.00 N ATOM 115 CA ASP A 10 7.331 7.552 10.418 1.00 0.00 C ATOM 116 C ASP A 10 6.918 8.694 9.511 1.00 0.00 C ATOM 117 O ASP A 10 6.461 9.742 9.965 1.00 0.00 O ATOM 118 CB ASP A 10 8.807 7.660 10.793 1.00 0.00 C ATOM 119 CG ASP A 10 9.041 8.727 11.845 1.00 0.00 C ATOM 120 OD1 ASP A 10 8.450 8.617 12.942 1.00 0.00 O ATOM 121 OD2 ASP A 10 9.806 9.680 11.584 1.00 0.00 O ATOM 0 H ASP A 10 7.257 6.332 8.726 1.00 0.00 H new ATOM 0 HA ASP A 10 6.779 7.584 11.357 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.159 6.698 11.165 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.393 7.891 9.903 1.00 0.00 H new ATOM 126 N CYS A 11 7.072 8.454 8.212 1.00 0.00 N ATOM 127 CA CYS A 11 6.489 9.302 7.185 1.00 0.00 C ATOM 128 C CYS A 11 4.966 9.305 7.347 1.00 0.00 C ATOM 129 O CYS A 11 4.307 8.329 7.009 1.00 0.00 O ATOM 130 CB CYS A 11 6.875 8.755 5.811 1.00 0.00 C ATOM 131 SG CYS A 11 8.656 8.403 5.629 1.00 0.00 S ATOM 0 H CYS A 11 7.605 7.666 7.845 1.00 0.00 H new ATOM 0 HA CYS A 11 6.859 10.323 7.279 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.313 7.840 5.624 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.577 9.474 5.048 1.00 0.00 H new ATOM 136 N GLU A 12 4.431 10.413 7.847 1.00 0.00 N ATOM 137 CA GLU A 12 3.054 10.485 8.362 1.00 0.00 C ATOM 138 C GLU A 12 1.995 9.895 7.424 1.00 0.00 C ATOM 139 O GLU A 12 1.404 8.864 7.736 1.00 0.00 O ATOM 140 CB GLU A 12 2.705 11.945 8.666 1.00 0.00 C ATOM 141 CG GLU A 12 1.238 12.181 8.997 1.00 0.00 C ATOM 142 CD GLU A 12 0.853 13.642 8.884 1.00 0.00 C ATOM 143 OE1 GLU A 12 0.576 14.108 7.758 1.00 0.00 O ATOM 144 OE2 GLU A 12 0.835 14.338 9.918 1.00 0.00 O ATOM 0 H GLU A 12 4.937 11.296 7.910 1.00 0.00 H new ATOM 0 HA GLU A 12 3.034 9.872 9.263 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.314 12.285 9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.975 12.558 7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.616 11.590 8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.035 11.831 10.009 1.00 0.00 H new ATOM 151 N VAL A 13 1.736 10.553 6.293 1.00 0.00 N ATOM 152 CA VAL A 13 0.657 10.125 5.398 1.00 0.00 C ATOM 153 C VAL A 13 0.895 8.691 4.918 1.00 0.00 C ATOM 154 O VAL A 13 -0.042 7.916 4.705 1.00 0.00 O ATOM 155 CB VAL A 13 0.501 11.085 4.188 1.00 0.00 C ATOM 156 CG1 VAL A 13 1.729 11.067 3.300 1.00 0.00 C ATOM 157 CG2 VAL A 13 -0.750 10.754 3.387 1.00 0.00 C ATOM 0 H VAL A 13 2.251 11.375 5.976 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.273 10.156 5.965 1.00 0.00 H new ATOM 0 HB VAL A 13 0.395 12.095 4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.583 11.751 2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.600 11.379 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.888 10.058 2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.836 11.441 2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.684 9.731 3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.628 10.852 4.026 1.00 0.00 H new ATOM 167 N CYS A 14 2.165 8.344 4.800 1.00 0.00 N ATOM 168 CA CYS A 14 2.576 7.016 4.389 1.00 0.00 C ATOM 169 C CYS A 14 2.265 5.996 5.491 1.00 0.00 C ATOM 170 O CYS A 14 1.875 4.863 5.204 1.00 0.00 O ATOM 171 CB CYS A 14 4.068 7.047 4.062 1.00 0.00 C ATOM 172 SG CYS A 14 4.777 5.464 3.531 1.00 0.00 S ATOM 0 H CYS A 14 2.941 8.979 4.988 1.00 0.00 H new ATOM 0 HA CYS A 14 2.023 6.710 3.501 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.236 7.784 3.276 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.609 7.392 4.943 1.00 0.00 H new ATOM 177 N LYS A 15 2.411 6.420 6.751 1.00 0.00 N ATOM 178 CA LYS A 15 2.067 5.581 7.899 1.00 0.00 C ATOM 179 C LYS A 15 0.620 5.150 7.807 1.00 0.00 C ATOM 180 O LYS A 15 0.302 3.964 7.872 1.00 0.00 O ATOM 181 CB LYS A 15 2.247 6.334 9.226 1.00 0.00 C ATOM 182 CG LYS A 15 3.662 6.788 9.515 1.00 0.00 C ATOM 183 CD LYS A 15 3.732 7.654 10.762 1.00 0.00 C ATOM 184 CE LYS A 15 3.557 6.834 12.027 1.00 0.00 C ATOM 185 NZ LYS A 15 3.519 7.693 13.240 1.00 0.00 N ATOM 0 H LYS A 15 2.767 7.343 7.000 1.00 0.00 H new ATOM 0 HA LYS A 15 2.735 4.720 7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.594 7.207 9.223 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.914 5.690 10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.305 5.917 9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.046 7.347 8.662 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.692 8.170 10.793 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.959 8.421 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.635 6.257 11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.375 6.119 12.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.398 7.097 14.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.409 8.225 13.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.723 8.358 13.169 1.00 0.00 H new ATOM 199 N GLU A 16 -0.242 6.143 7.662 1.00 0.00 N ATOM 200 CA GLU A 16 -1.674 5.926 7.601 1.00 0.00 C ATOM 201 C GLU A 16 -2.033 4.911 6.532 1.00 0.00 C ATOM 202 O GLU A 16 -2.730 3.941 6.813 1.00 0.00 O ATOM 203 CB GLU A 16 -2.390 7.245 7.337 1.00 0.00 C ATOM 204 CG GLU A 16 -2.342 8.198 8.516 1.00 0.00 C ATOM 205 CD GLU A 16 -3.072 7.647 9.720 1.00 0.00 C ATOM 206 OE1 GLU A 16 -2.450 6.918 10.517 1.00 0.00 O ATOM 207 OE2 GLU A 16 -4.280 7.937 9.872 1.00 0.00 O ATOM 0 H GLU A 16 0.034 7.122 7.583 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.998 5.528 8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.940 7.728 6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.431 7.042 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.303 8.395 8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.784 9.152 8.229 1.00 0.00 H new ATOM 214 N PHE A 17 -1.545 5.119 5.318 1.00 0.00 N ATOM 215 CA PHE A 17 -1.863 4.210 4.230 1.00 0.00 C ATOM 216 C PHE A 17 -1.358 2.802 4.533 1.00 0.00 C ATOM 217 O PHE A 17 -2.137 1.853 4.532 1.00 0.00 O ATOM 218 CB PHE A 17 -1.276 4.698 2.905 1.00 0.00 C ATOM 219 CG PHE A 17 -1.675 3.843 1.730 1.00 0.00 C ATOM 220 CD1 PHE A 17 -0.980 2.679 1.432 1.00 0.00 C ATOM 221 CD2 PHE A 17 -2.748 4.199 0.933 1.00 0.00 C ATOM 222 CE1 PHE A 17 -1.350 1.889 0.362 1.00 0.00 C ATOM 223 CE2 PHE A 17 -3.120 3.413 -0.140 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.420 2.256 -0.425 1.00 0.00 C ATOM 0 H PHE A 17 -0.936 5.897 5.065 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.949 4.184 4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.600 5.723 2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.189 4.716 2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.140 2.388 2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.301 5.101 1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.802 0.985 0.142 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.958 3.703 -0.756 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.711 1.640 -1.263 1.00 0.00 H new ATOM 234 N LEU A 18 -0.062 2.678 4.815 1.00 0.00 N ATOM 235 CA LEU A 18 0.559 1.371 5.000 1.00 0.00 C ATOM 236 C LEU A 18 -0.065 0.613 6.162 1.00 0.00 C ATOM 237 O LEU A 18 -0.447 -0.545 6.017 1.00 0.00 O ATOM 238 CB LEU A 18 2.067 1.509 5.239 1.00 0.00 C ATOM 239 CG LEU A 18 2.886 2.021 4.054 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.347 2.157 4.449 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.752 1.090 2.861 1.00 0.00 C ATOM 0 H LEU A 18 0.576 3.467 4.920 1.00 0.00 H new ATOM 0 HA LEU A 18 0.388 0.807 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.222 2.183 6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.459 0.536 5.534 1.00 0.00 H new ATOM 0 HG LEU A 18 2.501 3.000 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.922 2.522 3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.436 2.861 5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.733 1.185 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.344 1.475 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.111 0.097 3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.705 1.029 2.563 1.00 0.00 H new ATOM 253 N ASN A 19 -0.184 1.276 7.303 1.00 0.00 N ATOM 254 CA ASN A 19 -0.650 0.619 8.518 1.00 0.00 C ATOM 255 C ASN A 19 -2.117 0.233 8.411 1.00 0.00 C ATOM 256 O ASN A 19 -2.497 -0.890 8.742 1.00 0.00 O ATOM 257 CB ASN A 19 -0.426 1.513 9.732 1.00 0.00 C ATOM 258 CG ASN A 19 -0.791 0.826 11.027 1.00 0.00 C ATOM 259 OD1 ASN A 19 0.119 0.007 11.535 1.00 0.00 O flip ATOM 260 ND2 ASN A 19 -1.881 1.022 11.556 1.00 0.00 N flip ATOM 0 H ASN A 19 0.035 2.266 7.414 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.069 -0.295 8.643 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.620 1.818 9.768 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.019 2.421 9.626 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -2.549 1.662 11.126 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.119 0.545 12.425 1.00 0.00 H new ATOM 267 N ARG A 20 -2.940 1.162 7.949 1.00 0.00 N ATOM 268 CA ARG A 20 -4.354 0.887 7.752 1.00 0.00 C ATOM 269 C ARG A 20 -4.561 -0.194 6.701 1.00 0.00 C ATOM 270 O ARG A 20 -5.398 -1.068 6.879 1.00 0.00 O ATOM 271 CB ARG A 20 -5.095 2.161 7.370 1.00 0.00 C ATOM 272 CG ARG A 20 -5.301 3.103 8.541 1.00 0.00 C ATOM 273 CD ARG A 20 -5.492 4.533 8.078 1.00 0.00 C ATOM 274 NE ARG A 20 -6.495 4.645 7.022 1.00 0.00 N ATOM 275 CZ ARG A 20 -6.572 5.681 6.195 1.00 0.00 C ATOM 276 NH1 ARG A 20 -5.728 6.692 6.330 1.00 0.00 N ATOM 277 NH2 ARG A 20 -7.491 5.713 5.238 1.00 0.00 N ATOM 0 H ARG A 20 -2.654 2.110 7.704 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.762 0.519 8.693 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.538 2.678 6.589 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.065 1.898 6.948 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.172 2.786 9.115 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.441 3.048 9.209 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.790 5.150 8.926 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.542 4.925 7.716 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.171 3.889 6.914 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.023 6.673 7.067 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.783 7.490 5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.145 4.938 5.133 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.543 6.513 4.607 1.00 0.00 H new ATOM 291 N PHE A 21 -3.793 -0.143 5.618 1.00 0.00 N ATOM 292 CA PHE A 21 -3.845 -1.182 4.589 1.00 0.00 C ATOM 293 C PHE A 21 -3.506 -2.533 5.202 1.00 0.00 C ATOM 294 O PHE A 21 -4.219 -3.522 5.021 1.00 0.00 O ATOM 295 CB PHE A 21 -2.845 -0.850 3.478 1.00 0.00 C ATOM 296 CG PHE A 21 -2.773 -1.867 2.375 1.00 0.00 C ATOM 297 CD1 PHE A 21 -3.799 -1.989 1.453 1.00 0.00 C ATOM 298 CD2 PHE A 21 -1.671 -2.699 2.262 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.728 -2.924 0.439 1.00 0.00 C ATOM 300 CE2 PHE A 21 -1.594 -3.634 1.250 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.622 -3.747 0.338 1.00 0.00 C ATOM 0 H PHE A 21 -3.127 0.605 5.428 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.850 -1.225 4.169 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.109 0.116 3.047 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.854 -0.742 3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.664 -1.346 1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.863 -2.615 2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.535 -3.012 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.729 -4.277 1.172 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.563 -4.478 -0.455 1.00 0.00 H new ATOM 311 N TYR A 22 -2.414 -2.526 5.948 1.00 0.00 N ATOM 312 CA TYR A 22 -1.910 -3.687 6.660 1.00 0.00 C ATOM 313 C TYR A 22 -3.004 -4.327 7.521 1.00 0.00 C ATOM 314 O TYR A 22 -3.328 -5.506 7.359 1.00 0.00 O ATOM 315 CB TYR A 22 -0.738 -3.200 7.517 1.00 0.00 C ATOM 316 CG TYR A 22 0.029 -4.249 8.290 1.00 0.00 C ATOM 317 CD1 TYR A 22 -0.398 -4.685 9.538 1.00 0.00 C ATOM 318 CD2 TYR A 22 1.217 -4.760 7.786 1.00 0.00 C ATOM 319 CE1 TYR A 22 0.340 -5.602 10.261 1.00 0.00 C ATOM 320 CE2 TYR A 22 1.954 -5.684 8.498 1.00 0.00 C ATOM 321 CZ TYR A 22 1.513 -6.099 9.735 1.00 0.00 C ATOM 322 OH TYR A 22 2.262 -6.999 10.456 1.00 0.00 O ATOM 0 H TYR A 22 -1.840 -1.693 6.078 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.584 -4.459 5.963 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.036 -2.678 6.866 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.120 -2.467 8.228 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.320 -4.302 9.949 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.570 -4.429 6.821 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.000 -5.928 11.233 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.871 -6.080 8.088 1.00 0.00 H new ATOM 0 HH TYR A 22 1.672 -7.530 11.030 1.00 0.00 H new ATOM 332 N LYS A 23 -3.606 -3.536 8.407 1.00 0.00 N ATOM 333 CA LYS A 23 -4.606 -4.068 9.322 1.00 0.00 C ATOM 334 C LYS A 23 -5.916 -4.363 8.601 1.00 0.00 C ATOM 335 O LYS A 23 -6.638 -5.279 8.979 1.00 0.00 O ATOM 336 CB LYS A 23 -4.820 -3.129 10.526 1.00 0.00 C ATOM 337 CG LYS A 23 -5.191 -1.687 10.188 1.00 0.00 C ATOM 338 CD LYS A 23 -6.658 -1.530 9.813 1.00 0.00 C ATOM 339 CE LYS A 23 -7.587 -1.897 10.962 1.00 0.00 C ATOM 340 NZ LYS A 23 -7.496 -0.936 12.094 1.00 0.00 N ATOM 0 H LYS A 23 -3.420 -2.538 8.508 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.229 -5.014 9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.606 -3.548 11.154 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.907 -3.119 11.121 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.969 -1.049 11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.570 -1.341 9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.846 -0.500 9.511 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.881 -2.160 8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.614 -1.930 10.599 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.342 -2.898 11.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.217 -1.169 12.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.552 -0.996 12.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.656 0.030 11.743 1.00 0.00 H new ATOM 354 N SER A 24 -6.211 -3.602 7.553 1.00 0.00 N ATOM 355 CA SER A 24 -7.423 -3.826 6.774 1.00 0.00 C ATOM 356 C SER A 24 -7.371 -5.181 6.088 1.00 0.00 C ATOM 357 O SER A 24 -8.332 -5.934 6.131 1.00 0.00 O ATOM 358 CB SER A 24 -7.629 -2.720 5.734 1.00 0.00 C ATOM 359 OG SER A 24 -7.893 -1.476 6.360 1.00 0.00 O ATOM 0 H SER A 24 -5.632 -2.829 7.225 1.00 0.00 H new ATOM 0 HA SER A 24 -8.268 -3.807 7.463 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.741 -2.635 5.108 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.458 -2.984 5.077 1.00 0.00 H new ATOM 0 HG SER A 24 -7.062 -0.961 6.428 1.00 0.00 H new ATOM 365 N LEU A 25 -6.243 -5.497 5.474 1.00 0.00 N ATOM 366 CA LEU A 25 -6.088 -6.766 4.778 1.00 0.00 C ATOM 367 C LEU A 25 -6.189 -7.941 5.739 1.00 0.00 C ATOM 368 O LEU A 25 -6.830 -8.946 5.434 1.00 0.00 O ATOM 369 CB LEU A 25 -4.766 -6.796 4.023 1.00 0.00 C ATOM 370 CG LEU A 25 -4.908 -6.632 2.512 1.00 0.00 C ATOM 371 CD1 LEU A 25 -5.792 -5.437 2.186 1.00 0.00 C ATOM 372 CD2 LEU A 25 -3.542 -6.498 1.866 1.00 0.00 C ATOM 0 H LEU A 25 -5.421 -4.894 5.443 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.902 -6.859 4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.124 -6.003 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.263 -7.741 4.230 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.388 -7.522 2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.882 -5.335 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.781 -5.587 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.347 -4.532 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.659 -6.382 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.032 -5.625 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.953 -7.391 2.073 1.00 0.00 H new ATOM 384 N ILE A 26 -5.580 -7.809 6.908 1.00 0.00 N ATOM 385 CA ILE A 26 -5.665 -8.856 7.917 1.00 0.00 C ATOM 386 C ILE A 26 -7.098 -8.970 8.444 1.00 0.00 C ATOM 387 O ILE A 26 -7.614 -10.070 8.650 1.00 0.00 O ATOM 388 CB ILE A 26 -4.701 -8.591 9.098 1.00 0.00 C ATOM 389 CG1 ILE A 26 -3.276 -8.344 8.586 1.00 0.00 C ATOM 390 CG2 ILE A 26 -4.717 -9.759 10.076 1.00 0.00 C ATOM 391 CD1 ILE A 26 -2.725 -9.460 7.722 1.00 0.00 C ATOM 0 H ILE A 26 -5.027 -6.996 7.180 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.373 -9.792 7.441 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.041 -7.697 9.621 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.263 -7.416 8.014 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.615 -8.201 9.440 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.033 -9.554 10.899 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.726 -9.892 10.467 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.404 -10.668 9.562 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.714 -9.207 7.402 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.703 -10.387 8.295 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.361 -9.590 6.847 1.00 0.00 H new ATOM 403 N ASP A 27 -7.740 -7.822 8.632 1.00 0.00 N ATOM 404 CA ASP A 27 -9.115 -7.769 9.124 1.00 0.00 C ATOM 405 C ASP A 27 -10.093 -8.315 8.086 1.00 0.00 C ATOM 406 O ASP A 27 -10.977 -9.102 8.408 1.00 0.00 O ATOM 407 CB ASP A 27 -9.490 -6.328 9.485 1.00 0.00 C ATOM 408 CG ASP A 27 -10.902 -6.205 10.016 1.00 0.00 C ATOM 409 OD1 ASP A 27 -11.835 -6.033 9.205 1.00 0.00 O ATOM 410 OD2 ASP A 27 -11.085 -6.270 11.250 1.00 0.00 O ATOM 0 H ASP A 27 -7.327 -6.907 8.450 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.179 -8.393 10.015 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.792 -5.952 10.233 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.382 -5.697 8.602 1.00 0.00 H new ATOM 415 N ARG A 28 -9.914 -7.903 6.836 1.00 0.00 N ATOM 416 CA ARG A 28 -10.788 -8.327 5.745 1.00 0.00 C ATOM 417 C ARG A 28 -10.549 -9.785 5.379 1.00 0.00 C ATOM 418 O ARG A 28 -11.362 -10.407 4.696 1.00 0.00 O ATOM 419 CB ARG A 28 -10.584 -7.436 4.519 1.00 0.00 C ATOM 420 CG ARG A 28 -11.120 -6.030 4.708 1.00 0.00 C ATOM 421 CD ARG A 28 -10.277 -4.997 3.977 1.00 0.00 C ATOM 422 NE ARG A 28 -10.412 -5.054 2.522 1.00 0.00 N ATOM 423 CZ ARG A 28 -10.721 -3.988 1.786 1.00 0.00 C ATOM 424 NH1 ARG A 28 -11.027 -2.843 2.386 1.00 0.00 N ATOM 425 NH2 ARG A 28 -10.729 -4.059 0.460 1.00 0.00 N ATOM 0 H ARG A 28 -9.166 -7.271 6.550 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.818 -8.228 6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.520 -7.385 4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.075 -7.893 3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.147 -5.982 4.346 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.145 -5.791 5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.558 -4.002 4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.230 -5.142 4.242 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.263 -5.947 2.052 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.024 -2.784 3.404 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.265 -2.023 1.828 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.497 -4.937 -0.005 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.967 -3.236 -0.093 1.00 0.00 H new ATOM 439 N GLY A 29 -9.431 -10.323 5.846 1.00 0.00 N ATOM 440 CA GLY A 29 -9.098 -11.701 5.567 1.00 0.00 C ATOM 441 C GLY A 29 -8.576 -11.864 4.163 1.00 0.00 C ATOM 442 O GLY A 29 -8.889 -12.836 3.477 1.00 0.00 O ATOM 0 H GLY A 29 -8.747 -9.825 6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.349 -12.048 6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.981 -12.326 5.704 1.00 0.00 H new ATOM 446 N VAL A 30 -7.780 -10.901 3.745 1.00 0.00 N ATOM 447 CA VAL A 30 -7.233 -10.869 2.410 1.00 0.00 C ATOM 448 C VAL A 30 -5.727 -10.620 2.465 1.00 0.00 C ATOM 449 O VAL A 30 -5.276 -9.496 2.646 1.00 0.00 O ATOM 450 CB VAL A 30 -7.943 -9.789 1.552 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.255 -8.554 2.379 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.097 -9.399 0.363 1.00 0.00 C ATOM 0 H VAL A 30 -7.494 -10.115 4.328 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.405 -11.836 1.938 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.878 -10.221 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.752 -7.813 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.909 -8.827 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.328 -8.135 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.618 -8.641 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.144 -8.999 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.917 -10.276 -0.259 1.00 0.00 H new ATOM 462 N ASN A 31 -4.952 -11.684 2.356 1.00 0.00 N ATOM 463 CA ASN A 31 -3.502 -11.571 2.373 1.00 0.00 C ATOM 464 C ASN A 31 -2.871 -12.889 1.950 1.00 0.00 C ATOM 465 O ASN A 31 -3.582 -13.835 1.609 1.00 0.00 O ATOM 466 CB ASN A 31 -3.037 -11.183 3.776 1.00 0.00 C ATOM 467 CG ASN A 31 -1.690 -10.471 3.790 1.00 0.00 C ATOM 468 OD1 ASN A 31 -1.407 -9.699 2.746 1.00 0.00 O flip ATOM 469 ND2 ASN A 31 -0.917 -10.611 4.735 1.00 0.00 N flip ATOM 0 H ASN A 31 -5.301 -12.637 2.255 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.191 -10.799 1.670 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.786 -10.537 4.234 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.972 -12.081 4.391 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.172 -11.213 5.518 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.020 -10.125 4.737 1.00 0.00 H new ATOM 476 N PHE A 32 -1.540 -12.941 1.964 1.00 0.00 N ATOM 477 CA PHE A 32 -0.792 -14.141 1.589 1.00 0.00 C ATOM 478 C PHE A 32 -1.139 -14.598 0.172 1.00 0.00 C ATOM 479 O PHE A 32 -1.132 -15.790 -0.135 1.00 0.00 O ATOM 480 CB PHE A 32 -1.041 -15.269 2.598 1.00 0.00 C ATOM 481 CG PHE A 32 -0.546 -14.956 3.982 1.00 0.00 C ATOM 482 CD1 PHE A 32 0.769 -15.214 4.335 1.00 0.00 C ATOM 483 CD2 PHE A 32 -1.394 -14.403 4.928 1.00 0.00 C ATOM 484 CE1 PHE A 32 1.229 -14.925 5.606 1.00 0.00 C ATOM 485 CE2 PHE A 32 -0.939 -14.111 6.200 1.00 0.00 C ATOM 486 CZ PHE A 32 0.373 -14.372 6.539 1.00 0.00 C ATOM 0 H PHE A 32 -0.950 -12.154 2.235 1.00 0.00 H new ATOM 0 HA PHE A 32 0.268 -13.889 1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.110 -15.477 2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.554 -16.177 2.243 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.442 -15.646 3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.422 -14.198 4.669 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.256 -15.131 5.869 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.610 -13.679 6.928 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.730 -14.144 7.532 1.00 0.00 H new ATOM 496 N SER A 33 -1.451 -13.635 -0.679 1.00 0.00 N ATOM 497 CA SER A 33 -1.734 -13.894 -2.083 1.00 0.00 C ATOM 498 C SER A 33 -1.346 -12.673 -2.900 1.00 0.00 C ATOM 499 O SER A 33 -2.011 -11.638 -2.853 1.00 0.00 O ATOM 500 CB SER A 33 -3.211 -14.228 -2.282 1.00 0.00 C ATOM 501 OG SER A 33 -3.565 -15.395 -1.559 1.00 0.00 O ATOM 0 H SER A 33 -1.516 -12.651 -0.417 1.00 0.00 H new ATOM 0 HA SER A 33 -1.152 -14.753 -2.417 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.826 -13.390 -1.953 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.415 -14.376 -3.342 1.00 0.00 H new ATOM 0 HG SER A 33 -4.515 -15.591 -1.699 1.00 0.00 H new ATOM 507 N LEU A 34 -0.256 -12.812 -3.639 1.00 0.00 N ATOM 508 CA LEU A 34 0.378 -11.694 -4.324 1.00 0.00 C ATOM 509 C LEU A 34 -0.552 -11.025 -5.325 1.00 0.00 C ATOM 510 O LEU A 34 -0.611 -9.799 -5.394 1.00 0.00 O ATOM 511 CB LEU A 34 1.652 -12.173 -5.015 1.00 0.00 C ATOM 512 CG LEU A 34 2.727 -12.689 -4.057 1.00 0.00 C ATOM 513 CD1 LEU A 34 3.940 -13.184 -4.817 1.00 0.00 C ATOM 514 CD2 LEU A 34 3.126 -11.598 -3.080 1.00 0.00 C ATOM 0 H LEU A 34 0.216 -13.705 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 34 0.626 -10.943 -3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.395 -12.966 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.066 -11.352 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 34 2.312 -13.528 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.689 -13.545 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.646 -13.996 -5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.359 -12.367 -5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.892 -11.978 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.519 -10.743 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.254 -11.289 -2.504 1.00 0.00 H new ATOM 526 N ASP A 35 -1.301 -11.827 -6.068 1.00 0.00 N ATOM 527 CA ASP A 35 -2.208 -11.296 -7.082 1.00 0.00 C ATOM 528 C ASP A 35 -3.340 -10.533 -6.414 1.00 0.00 C ATOM 529 O ASP A 35 -3.891 -9.585 -6.976 1.00 0.00 O ATOM 530 CB ASP A 35 -2.792 -12.422 -7.941 1.00 0.00 C ATOM 531 CG ASP A 35 -1.731 -13.327 -8.529 1.00 0.00 C ATOM 532 OD1 ASP A 35 -1.102 -12.947 -9.537 1.00 0.00 O ATOM 533 OD2 ASP A 35 -1.527 -14.436 -7.985 1.00 0.00 O ATOM 0 H ASP A 35 -1.301 -12.844 -5.990 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.640 -10.625 -7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.475 -13.017 -7.335 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.380 -11.987 -8.749 1.00 0.00 H new ATOM 538 N THR A 36 -3.669 -10.945 -5.202 1.00 0.00 N ATOM 539 CA THR A 36 -4.736 -10.323 -4.445 1.00 0.00 C ATOM 540 C THR A 36 -4.271 -9.011 -3.831 1.00 0.00 C ATOM 541 O THR A 36 -5.023 -8.035 -3.788 1.00 0.00 O ATOM 542 CB THR A 36 -5.242 -11.275 -3.345 1.00 0.00 C ATOM 543 OG1 THR A 36 -5.556 -12.550 -3.917 1.00 0.00 O ATOM 544 CG2 THR A 36 -6.472 -10.717 -2.647 1.00 0.00 C ATOM 0 H THR A 36 -3.206 -11.715 -4.719 1.00 0.00 H new ATOM 0 HA THR A 36 -5.557 -10.110 -5.130 1.00 0.00 H new ATOM 0 HB THR A 36 -4.450 -11.382 -2.604 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.876 -13.154 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.801 -11.415 -1.877 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.227 -9.759 -2.188 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.271 -10.576 -3.375 1.00 0.00 H new ATOM 552 N ILE A 37 -3.025 -8.975 -3.381 1.00 0.00 N ATOM 553 CA ILE A 37 -2.459 -7.746 -2.852 1.00 0.00 C ATOM 554 C ILE A 37 -2.380 -6.719 -3.973 1.00 0.00 C ATOM 555 O ILE A 37 -2.547 -5.520 -3.751 1.00 0.00 O ATOM 556 CB ILE A 37 -1.051 -7.955 -2.248 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.010 -9.211 -1.370 1.00 0.00 C ATOM 558 CG2 ILE A 37 -0.637 -6.733 -1.439 1.00 0.00 C ATOM 559 CD1 ILE A 37 -2.056 -9.235 -0.275 1.00 0.00 C ATOM 0 H ILE A 37 -2.393 -9.776 -3.372 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.108 -7.399 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.347 -8.091 -3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.142 -10.088 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.022 -9.292 -0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.356 -6.894 -1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.620 -5.857 -2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.351 -6.573 -0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.960 -10.156 0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.913 -8.379 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.050 -9.188 -0.720 1.00 0.00 H new ATOM 571 N GLU A 38 -2.156 -7.220 -5.186 1.00 0.00 N ATOM 572 CA GLU A 38 -2.084 -6.380 -6.372 1.00 0.00 C ATOM 573 C GLU A 38 -3.426 -5.730 -6.684 1.00 0.00 C ATOM 574 O GLU A 38 -3.489 -4.695 -7.347 1.00 0.00 O ATOM 575 CB GLU A 38 -1.596 -7.191 -7.574 1.00 0.00 C ATOM 576 CG GLU A 38 -0.115 -7.527 -7.513 1.00 0.00 C ATOM 577 CD GLU A 38 0.367 -8.295 -8.724 1.00 0.00 C ATOM 578 OE1 GLU A 38 0.501 -7.687 -9.806 1.00 0.00 O ATOM 579 OE2 GLU A 38 0.641 -9.505 -8.599 1.00 0.00 O ATOM 0 H GLU A 38 -2.020 -8.214 -5.370 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.369 -5.584 -6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.169 -8.116 -7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.797 -6.630 -8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.458 -6.604 -7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.082 -8.113 -6.616 1.00 0.00 H new ATOM 586 N LYS A 39 -4.497 -6.341 -6.213 1.00 0.00 N ATOM 587 CA LYS A 39 -5.823 -5.783 -6.400 1.00 0.00 C ATOM 588 C LYS A 39 -6.138 -4.778 -5.294 1.00 0.00 C ATOM 589 O LYS A 39 -6.485 -3.629 -5.559 1.00 0.00 O ATOM 590 CB LYS A 39 -6.872 -6.897 -6.406 1.00 0.00 C ATOM 591 CG LYS A 39 -8.273 -6.403 -6.712 1.00 0.00 C ATOM 592 CD LYS A 39 -8.368 -5.859 -8.126 1.00 0.00 C ATOM 593 CE LYS A 39 -9.707 -5.193 -8.379 1.00 0.00 C ATOM 594 NZ LYS A 39 -9.858 -4.788 -9.799 1.00 0.00 N ATOM 0 H LYS A 39 -4.475 -7.222 -5.699 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.848 -5.269 -7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.590 -7.648 -7.144 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.873 -7.390 -5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.985 -7.219 -6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.550 -5.625 -6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.566 -5.140 -8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.224 -6.671 -8.839 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.511 -5.877 -8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.805 -4.317 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.785 -4.336 -9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.105 -4.116 -10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.790 -5.628 -10.409 1.00 0.00 H new ATOM 608 N GLU A 40 -5.970 -5.217 -4.059 1.00 0.00 N ATOM 609 CA GLU A 40 -6.399 -4.451 -2.894 1.00 0.00 C ATOM 610 C GLU A 40 -5.525 -3.230 -2.647 1.00 0.00 C ATOM 611 O GLU A 40 -5.985 -2.256 -2.054 1.00 0.00 O ATOM 612 CB GLU A 40 -6.436 -5.342 -1.656 1.00 0.00 C ATOM 613 CG GLU A 40 -7.442 -6.474 -1.769 1.00 0.00 C ATOM 614 CD GLU A 40 -8.855 -5.981 -2.022 1.00 0.00 C ATOM 615 OE1 GLU A 40 -9.180 -5.655 -3.189 1.00 0.00 O ATOM 616 OE2 GLU A 40 -9.651 -5.925 -1.064 1.00 0.00 O ATOM 0 H GLU A 40 -5.534 -6.111 -3.832 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.405 -4.086 -3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.444 -5.761 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.678 -4.734 -0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.144 -7.140 -2.579 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.426 -7.062 -0.851 1.00 0.00 H new ATOM 623 N LEU A 41 -4.272 -3.269 -3.093 1.00 0.00 N ATOM 624 CA LEU A 41 -3.435 -2.074 -3.052 1.00 0.00 C ATOM 625 C LEU A 41 -4.106 -0.972 -3.851 1.00 0.00 C ATOM 626 O LEU A 41 -4.112 0.188 -3.453 1.00 0.00 O ATOM 627 CB LEU A 41 -2.036 -2.349 -3.610 1.00 0.00 C ATOM 628 CG LEU A 41 -0.962 -2.643 -2.560 1.00 0.00 C ATOM 629 CD1 LEU A 41 0.356 -2.985 -3.231 1.00 0.00 C ATOM 630 CD2 LEU A 41 -0.786 -1.450 -1.630 1.00 0.00 C ATOM 0 H LEU A 41 -3.821 -4.098 -3.480 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.320 -1.766 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.095 -3.196 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.721 -1.487 -4.198 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.284 -3.500 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.109 -3.191 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.226 -3.865 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.681 -2.145 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.019 -1.676 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.485 -0.578 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.728 -1.241 -1.124 1.00 0.00 H new ATOM 642 N ILE A 42 -4.711 -1.370 -4.956 1.00 0.00 N ATOM 643 CA ILE A 42 -5.429 -0.454 -5.816 1.00 0.00 C ATOM 644 C ILE A 42 -6.762 -0.069 -5.178 1.00 0.00 C ATOM 645 O ILE A 42 -7.123 1.108 -5.123 1.00 0.00 O ATOM 646 CB ILE A 42 -5.672 -1.105 -7.194 1.00 0.00 C ATOM 647 CG1 ILE A 42 -4.343 -1.318 -7.926 1.00 0.00 C ATOM 648 CG2 ILE A 42 -6.626 -0.276 -8.028 1.00 0.00 C ATOM 649 CD1 ILE A 42 -4.482 -2.019 -9.261 1.00 0.00 C ATOM 0 H ILE A 42 -4.717 -2.337 -5.280 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.830 0.447 -5.950 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.135 -2.079 -7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.867 -0.350 -8.083 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.678 -1.901 -7.289 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.779 -0.758 -8.993 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.581 -0.190 -7.510 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.206 0.718 -8.182 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.498 -2.132 -9.717 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.928 -3.002 -9.111 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.120 -1.428 -9.918 1.00 0.00 H new ATOM 661 N SER A 43 -7.471 -1.072 -4.675 1.00 0.00 N ATOM 662 CA SER A 43 -8.766 -0.869 -4.043 1.00 0.00 C ATOM 663 C SER A 43 -8.662 0.109 -2.872 1.00 0.00 C ATOM 664 O SER A 43 -9.474 1.025 -2.741 1.00 0.00 O ATOM 665 CB SER A 43 -9.317 -2.211 -3.551 1.00 0.00 C ATOM 666 OG SER A 43 -9.220 -3.203 -4.562 1.00 0.00 O ATOM 0 H SER A 43 -7.165 -2.045 -4.694 1.00 0.00 H new ATOM 0 HA SER A 43 -9.444 -0.443 -4.783 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.766 -2.532 -2.667 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.358 -2.093 -3.252 1.00 0.00 H new ATOM 0 HG SER A 43 -9.248 -4.092 -4.151 1.00 0.00 H new ATOM 672 N PHE A 44 -7.646 -0.076 -2.040 1.00 0.00 N ATOM 673 CA PHE A 44 -7.483 0.727 -0.835 1.00 0.00 C ATOM 674 C PHE A 44 -6.905 2.100 -1.168 1.00 0.00 C ATOM 675 O PHE A 44 -7.231 3.093 -0.521 1.00 0.00 O ATOM 676 CB PHE A 44 -6.580 0.001 0.167 1.00 0.00 C ATOM 677 CG PHE A 44 -6.560 0.625 1.536 1.00 0.00 C ATOM 678 CD1 PHE A 44 -7.526 0.294 2.473 1.00 0.00 C ATOM 679 CD2 PHE A 44 -5.577 1.537 1.886 1.00 0.00 C ATOM 680 CE1 PHE A 44 -7.512 0.861 3.732 1.00 0.00 C ATOM 681 CE2 PHE A 44 -5.557 2.107 3.144 1.00 0.00 C ATOM 682 CZ PHE A 44 -6.527 1.770 4.069 1.00 0.00 C ATOM 0 H PHE A 44 -6.919 -0.778 -2.178 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.466 0.871 -0.386 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.911 -1.034 0.255 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.563 -0.022 -0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.299 -0.415 2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.818 1.805 1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.270 0.594 4.453 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.784 2.815 3.404 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.515 2.216 5.053 1.00 0.00 H new ATOM 692 N CYS A 45 -6.058 2.158 -2.188 1.00 0.00 N ATOM 693 CA CYS A 45 -5.444 3.417 -2.585 1.00 0.00 C ATOM 694 C CYS A 45 -6.472 4.308 -3.276 1.00 0.00 C ATOM 695 O CYS A 45 -6.295 5.522 -3.389 1.00 0.00 O ATOM 696 CB CYS A 45 -4.229 3.155 -3.480 1.00 0.00 C ATOM 697 SG CYS A 45 -4.460 3.496 -5.250 1.00 0.00 S ATOM 0 H CYS A 45 -5.782 1.354 -2.751 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.093 3.942 -1.697 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.398 3.761 -3.118 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.936 2.111 -3.366 1.00 0.00 H new ATOM 702 N LEU A 46 -7.543 3.686 -3.745 1.00 0.00 N ATOM 703 CA LEU A 46 -8.703 4.407 -4.237 1.00 0.00 C ATOM 704 C LEU A 46 -9.646 4.731 -3.082 1.00 0.00 C ATOM 705 O LEU A 46 -10.195 5.830 -2.999 1.00 0.00 O ATOM 706 CB LEU A 46 -9.420 3.570 -5.296 1.00 0.00 C ATOM 707 CG LEU A 46 -10.761 4.124 -5.786 1.00 0.00 C ATOM 708 CD1 LEU A 46 -10.561 5.415 -6.563 1.00 0.00 C ATOM 709 CD2 LEU A 46 -11.480 3.091 -6.637 1.00 0.00 C ATOM 0 H LEU A 46 -7.631 2.671 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.379 5.344 -4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.758 3.460 -6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.586 2.572 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.379 4.347 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.527 5.790 -6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.089 6.157 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.923 5.225 -7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.431 3.499 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.864 2.838 -7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.661 2.194 -6.045 1.00 0.00 H new ATOM 721 N ASP A 47 -9.817 3.764 -2.186 1.00 0.00 N ATOM 722 CA ASP A 47 -10.700 3.909 -1.029 1.00 0.00 C ATOM 723 C ASP A 47 -10.018 4.730 0.065 1.00 0.00 C ATOM 724 O ASP A 47 -9.740 4.242 1.161 1.00 0.00 O ATOM 725 CB ASP A 47 -11.099 2.526 -0.499 1.00 0.00 C ATOM 726 CG ASP A 47 -12.129 2.584 0.610 1.00 0.00 C ATOM 727 OD1 ASP A 47 -13.314 2.849 0.318 1.00 0.00 O ATOM 728 OD2 ASP A 47 -11.768 2.344 1.780 1.00 0.00 O ATOM 0 H ASP A 47 -9.350 2.859 -2.239 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.602 4.438 -1.338 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.494 1.929 -1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.209 2.014 -0.133 1.00 0.00 H new ATOM 733 N THR A 48 -9.740 5.979 -0.258 1.00 0.00 N ATOM 734 CA THR A 48 -9.077 6.900 0.649 1.00 0.00 C ATOM 735 C THR A 48 -9.367 8.337 0.222 1.00 0.00 C ATOM 736 O THR A 48 -10.191 8.561 -0.669 1.00 0.00 O ATOM 737 CB THR A 48 -7.553 6.650 0.675 1.00 0.00 C ATOM 738 OG1 THR A 48 -7.148 5.969 -0.518 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.146 5.831 1.892 1.00 0.00 C ATOM 0 H THR A 48 -9.969 6.387 -1.164 1.00 0.00 H new ATOM 0 HA THR A 48 -9.463 6.735 1.655 1.00 0.00 H new ATOM 0 HB THR A 48 -7.056 7.619 0.732 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.340 6.532 -1.297 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.068 5.673 1.880 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.424 6.366 2.800 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.654 4.867 1.868 1.00 0.00 H new ATOM 747 N LYS A 49 -8.714 9.302 0.849 1.00 0.00 N ATOM 748 CA LYS A 49 -8.923 10.702 0.509 1.00 0.00 C ATOM 749 C LYS A 49 -7.832 11.207 -0.419 1.00 0.00 C ATOM 750 O LYS A 49 -6.844 10.517 -0.641 1.00 0.00 O ATOM 751 CB LYS A 49 -8.976 11.556 1.774 1.00 0.00 C ATOM 752 CG LYS A 49 -10.095 11.164 2.728 1.00 0.00 C ATOM 753 CD LYS A 49 -11.463 11.479 2.139 1.00 0.00 C ATOM 754 CE LYS A 49 -12.589 11.090 3.084 1.00 0.00 C ATOM 755 NZ LYS A 49 -12.853 9.627 3.080 1.00 0.00 N ATOM 0 H LYS A 49 -8.036 9.143 1.594 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.877 10.783 -0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.022 11.478 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.100 12.601 1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.029 10.099 2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.973 11.695 3.672 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.527 12.544 1.917 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.582 10.949 1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.337 11.408 4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.498 11.621 2.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.628 9.412 3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.120 9.325 2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.996 9.119 3.377 1.00 0.00 H new ATOM 769 N GLY A 50 -8.015 12.417 -0.934 1.00 0.00 N ATOM 770 CA GLY A 50 -7.150 12.953 -1.977 1.00 0.00 C ATOM 771 C GLY A 50 -5.662 12.839 -1.685 1.00 0.00 C ATOM 772 O GLY A 50 -4.884 12.469 -2.569 1.00 0.00 O ATOM 0 H GLY A 50 -8.761 13.049 -0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.365 12.434 -2.911 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.397 14.003 -2.132 1.00 0.00 H new ATOM 776 N LYS A 51 -5.256 13.153 -0.459 1.00 0.00 N ATOM 777 CA LYS A 51 -3.844 13.100 -0.090 1.00 0.00 C ATOM 778 C LYS A 51 -3.314 11.677 -0.195 1.00 0.00 C ATOM 779 O LYS A 51 -2.172 11.448 -0.588 1.00 0.00 O ATOM 780 CB LYS A 51 -3.637 13.628 1.332 1.00 0.00 C ATOM 781 CG LYS A 51 -2.467 14.589 1.456 1.00 0.00 C ATOM 782 CD LYS A 51 -2.661 15.808 0.567 1.00 0.00 C ATOM 783 CE LYS A 51 -1.538 16.820 0.734 1.00 0.00 C ATOM 784 NZ LYS A 51 -0.211 16.240 0.403 1.00 0.00 N ATOM 0 H LYS A 51 -5.880 13.445 0.293 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.291 13.733 -0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.547 14.131 1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.478 12.785 2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.361 14.905 2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.543 14.079 1.182 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.712 15.492 -0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.614 16.281 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.727 17.681 0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.528 17.184 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.366 16.952 -0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.269 15.949 1.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.338 15.412 -0.214 1.00 0.00 H new ATOM 798 N GLU A 52 -4.172 10.730 0.136 1.00 0.00 N ATOM 799 CA GLU A 52 -3.812 9.324 0.164 1.00 0.00 C ATOM 800 C GLU A 52 -3.964 8.713 -1.224 1.00 0.00 C ATOM 801 O GLU A 52 -3.169 7.866 -1.637 1.00 0.00 O ATOM 802 CB GLU A 52 -4.710 8.614 1.166 1.00 0.00 C ATOM 803 CG GLU A 52 -4.882 9.409 2.448 1.00 0.00 C ATOM 804 CD GLU A 52 -5.979 8.871 3.330 1.00 0.00 C ATOM 805 OE1 GLU A 52 -7.159 8.958 2.943 1.00 0.00 O ATOM 806 OE2 GLU A 52 -5.669 8.377 4.423 1.00 0.00 O ATOM 0 H GLU A 52 -5.141 10.915 0.394 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.770 9.212 0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.687 8.439 0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.288 7.637 1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.943 9.404 3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.100 10.448 2.199 1.00 0.00 H new ATOM 813 N ASN A 53 -4.985 9.164 -1.943 1.00 0.00 N ATOM 814 CA ASN A 53 -5.205 8.745 -3.321 1.00 0.00 C ATOM 815 C ASN A 53 -4.017 9.158 -4.174 1.00 0.00 C ATOM 816 O ASN A 53 -3.581 8.416 -5.051 1.00 0.00 O ATOM 817 CB ASN A 53 -6.483 9.366 -3.900 1.00 0.00 C ATOM 818 CG ASN A 53 -7.745 8.987 -3.154 1.00 0.00 C ATOM 819 OD1 ASN A 53 -7.793 7.780 -2.622 1.00 0.00 O flip ATOM 820 ND2 ASN A 53 -8.687 9.775 -3.081 1.00 0.00 N flip ATOM 0 H ASN A 53 -5.678 9.825 -1.591 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.317 7.661 -3.329 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.382 10.451 -3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.583 9.061 -4.942 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.612 10.700 -3.505 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.543 9.504 -2.597 1.00 0.00 H new ATOM 827 N ARG A 54 -3.485 10.346 -3.907 1.00 0.00 N ATOM 828 CA ARG A 54 -2.320 10.826 -4.630 1.00 0.00 C ATOM 829 C ARG A 54 -1.067 10.105 -4.143 1.00 0.00 C ATOM 830 O ARG A 54 -0.172 9.807 -4.930 1.00 0.00 O ATOM 831 CB ARG A 54 -2.152 12.341 -4.482 1.00 0.00 C ATOM 832 CG ARG A 54 -1.173 12.919 -5.489 1.00 0.00 C ATOM 833 CD ARG A 54 -1.662 12.685 -6.911 1.00 0.00 C ATOM 834 NE ARG A 54 -0.598 12.834 -7.899 1.00 0.00 N ATOM 835 CZ ARG A 54 -0.731 12.511 -9.184 1.00 0.00 C ATOM 836 NH1 ARG A 54 -1.905 12.106 -9.656 1.00 0.00 N ATOM 837 NH2 ARG A 54 0.309 12.612 -10.003 1.00 0.00 N ATOM 0 H ARG A 54 -3.841 10.988 -3.199 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.470 10.610 -5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.121 12.824 -4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.807 12.568 -3.473 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.051 13.988 -5.313 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.193 12.460 -5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.086 11.683 -6.986 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.464 13.388 -7.136 1.00 0.00 H new ATOM 0 HE ARG A 54 0.299 13.207 -7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.710 12.041 -9.033 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.001 11.860 -10.641 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.208 12.937 -9.648 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.209 12.365 -10.988 1.00 0.00 H new ATOM 851 N LEU A 55 -1.023 9.811 -2.844 1.00 0.00 N ATOM 852 CA LEU A 55 0.072 9.037 -2.257 1.00 0.00 C ATOM 853 C LEU A 55 0.174 7.668 -2.927 1.00 0.00 C ATOM 854 O LEU A 55 1.235 7.048 -2.956 1.00 0.00 O ATOM 855 CB LEU A 55 -0.153 8.870 -0.749 1.00 0.00 C ATOM 856 CG LEU A 55 0.811 7.924 -0.030 1.00 0.00 C ATOM 857 CD1 LEU A 55 2.232 8.465 -0.055 1.00 0.00 C ATOM 858 CD2 LEU A 55 0.347 7.701 1.398 1.00 0.00 C ATOM 0 H LEU A 55 -1.737 10.099 -2.174 1.00 0.00 H new ATOM 0 HA LEU A 55 1.006 9.574 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.085 9.852 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.170 8.511 -0.591 1.00 0.00 H new ATOM 0 HG LEU A 55 0.812 6.969 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.894 7.772 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.561 8.577 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.261 9.435 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.038 7.027 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.320 8.655 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.650 7.261 1.392 1.00 0.00 H new ATOM 870 N CYS A 56 -0.942 7.212 -3.472 1.00 0.00 N ATOM 871 CA CYS A 56 -0.996 5.957 -4.205 1.00 0.00 C ATOM 872 C CYS A 56 -0.102 5.995 -5.439 1.00 0.00 C ATOM 873 O CYS A 56 0.480 4.981 -5.824 1.00 0.00 O ATOM 874 CB CYS A 56 -2.447 5.655 -4.592 1.00 0.00 C ATOM 875 SG CYS A 56 -2.664 4.286 -5.770 1.00 0.00 S ATOM 0 H CYS A 56 -1.836 7.701 -3.419 1.00 0.00 H new ATOM 0 HA CYS A 56 -0.623 5.160 -3.561 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.008 5.426 -3.686 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.887 6.555 -5.021 1.00 0.00 H new ATOM 880 N TYR A 57 0.030 7.170 -6.038 1.00 0.00 N ATOM 881 CA TYR A 57 0.903 7.340 -7.190 1.00 0.00 C ATOM 882 C TYR A 57 2.358 7.351 -6.738 1.00 0.00 C ATOM 883 O TYR A 57 3.276 7.166 -7.538 1.00 0.00 O ATOM 884 CB TYR A 57 0.564 8.635 -7.935 1.00 0.00 C ATOM 885 CG TYR A 57 -0.821 8.642 -8.541 1.00 0.00 C ATOM 886 CD1 TYR A 57 -1.940 8.858 -7.751 1.00 0.00 C ATOM 887 CD2 TYR A 57 -1.008 8.434 -9.900 1.00 0.00 C ATOM 888 CE1 TYR A 57 -3.206 8.864 -8.296 1.00 0.00 C ATOM 889 CE2 TYR A 57 -2.274 8.440 -10.454 1.00 0.00 C ATOM 890 CZ TYR A 57 -3.369 8.654 -9.646 1.00 0.00 C ATOM 891 OH TYR A 57 -4.633 8.661 -10.188 1.00 0.00 O ATOM 0 H TYR A 57 -0.455 8.018 -5.746 1.00 0.00 H new ATOM 0 HA TYR A 57 0.751 6.505 -7.873 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.654 9.475 -7.246 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.298 8.792 -8.726 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.817 9.024 -6.691 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.151 8.265 -10.535 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.067 9.033 -7.666 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.404 8.278 -11.514 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.576 8.499 -11.153 1.00 0.00 H new ATOM 901 N TYR A 58 2.559 7.582 -5.447 1.00 0.00 N ATOM 902 CA TYR A 58 3.889 7.553 -4.865 1.00 0.00 C ATOM 903 C TYR A 58 4.275 6.138 -4.464 1.00 0.00 C ATOM 904 O TYR A 58 5.300 5.622 -4.903 1.00 0.00 O ATOM 905 CB TYR A 58 3.985 8.491 -3.660 1.00 0.00 C ATOM 906 CG TYR A 58 3.929 9.958 -4.026 1.00 0.00 C ATOM 907 CD1 TYR A 58 2.713 10.613 -4.173 1.00 0.00 C ATOM 908 CD2 TYR A 58 5.093 10.684 -4.231 1.00 0.00 C ATOM 909 CE1 TYR A 58 2.660 11.951 -4.514 1.00 0.00 C ATOM 910 CE2 TYR A 58 5.049 12.022 -4.573 1.00 0.00 C ATOM 911 CZ TYR A 58 3.831 12.651 -4.713 1.00 0.00 C ATOM 912 OH TYR A 58 3.785 13.984 -5.057 1.00 0.00 O ATOM 0 H TYR A 58 1.813 7.792 -4.783 1.00 0.00 H new ATOM 0 HA TYR A 58 4.589 7.901 -5.625 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.172 8.266 -2.970 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.917 8.293 -3.130 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.794 10.068 -4.018 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.050 10.195 -4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.706 12.446 -4.624 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.965 12.572 -4.730 1.00 0.00 H new ATOM 0 HH TYR A 58 4.697 14.327 -5.159 1.00 0.00 H new ATOM 922 N LEU A 59 3.436 5.512 -3.646 1.00 0.00 N ATOM 923 CA LEU A 59 3.684 4.149 -3.180 1.00 0.00 C ATOM 924 C LEU A 59 3.625 3.153 -4.333 1.00 0.00 C ATOM 925 O LEU A 59 4.122 2.035 -4.228 1.00 0.00 O ATOM 926 CB LEU A 59 2.671 3.762 -2.099 1.00 0.00 C ATOM 927 CG LEU A 59 2.812 4.514 -0.774 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.623 4.236 0.124 1.00 0.00 C ATOM 929 CD2 LEU A 59 4.099 4.117 -0.070 1.00 0.00 C ATOM 0 H LEU A 59 2.575 5.927 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 59 4.687 4.118 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.667 3.930 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.763 2.694 -1.903 1.00 0.00 H new ATOM 0 HG LEU A 59 2.846 5.582 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.740 4.779 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.709 4.562 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.564 3.167 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.182 4.662 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.088 3.046 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.951 4.358 -0.706 1.00 0.00 H new ATOM 941 N GLY A 60 3.010 3.576 -5.432 1.00 0.00 N ATOM 942 CA GLY A 60 2.967 2.758 -6.623 1.00 0.00 C ATOM 943 C GLY A 60 1.865 1.730 -6.575 1.00 0.00 C ATOM 944 O GLY A 60 2.023 0.622 -7.071 1.00 0.00 O ATOM 0 H GLY A 60 2.539 4.477 -5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.826 3.397 -7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.925 2.254 -6.749 1.00 0.00 H new ATOM 948 N ALA A 61 0.739 2.104 -5.987 1.00 0.00 N ATOM 949 CA ALA A 61 -0.393 1.199 -5.869 1.00 0.00 C ATOM 950 C ALA A 61 -1.358 1.392 -7.035 1.00 0.00 C ATOM 951 O ALA A 61 -2.510 0.973 -6.983 1.00 0.00 O ATOM 952 CB ALA A 61 -1.100 1.407 -4.539 1.00 0.00 C ATOM 0 H ALA A 61 0.585 3.028 -5.584 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.024 0.174 -5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.945 0.723 -4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.404 1.213 -3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.458 2.434 -4.474 1.00 0.00 H new ATOM 958 N THR A 62 -0.871 2.039 -8.083 1.00 0.00 N ATOM 959 CA THR A 62 -1.655 2.265 -9.286 1.00 0.00 C ATOM 960 C THR A 62 -0.844 1.911 -10.524 1.00 0.00 C ATOM 961 O THR A 62 0.280 2.382 -10.698 1.00 0.00 O ATOM 962 CB THR A 62 -2.124 3.728 -9.391 1.00 0.00 C ATOM 963 OG1 THR A 62 -1.276 4.574 -8.602 1.00 0.00 O ATOM 964 CG2 THR A 62 -3.571 3.875 -8.943 1.00 0.00 C ATOM 0 H THR A 62 0.074 2.420 -8.123 1.00 0.00 H new ATOM 0 HA THR A 62 -2.533 1.622 -9.224 1.00 0.00 H new ATOM 0 HB THR A 62 -2.061 4.030 -10.436 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.594 4.583 -7.675 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.874 4.919 -9.028 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.212 3.258 -9.574 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.665 3.553 -7.906 1.00 0.00 H new ATOM 972 N LYS A 63 -1.421 1.089 -11.390 1.00 0.00 N ATOM 973 CA LYS A 63 -0.741 0.669 -12.607 1.00 0.00 C ATOM 974 C LYS A 63 -0.775 1.784 -13.641 1.00 0.00 C ATOM 975 O LYS A 63 -0.105 1.719 -14.669 1.00 0.00 O ATOM 976 CB LYS A 63 -1.380 -0.599 -13.168 1.00 0.00 C ATOM 977 CG LYS A 63 -1.271 -1.790 -12.232 1.00 0.00 C ATOM 978 CD LYS A 63 -1.819 -3.055 -12.865 1.00 0.00 C ATOM 979 CE LYS A 63 -1.067 -3.417 -14.137 1.00 0.00 C ATOM 980 NZ LYS A 63 -1.519 -4.718 -14.691 1.00 0.00 N ATOM 0 H LYS A 63 -2.357 0.700 -11.272 1.00 0.00 H new ATOM 0 HA LYS A 63 0.299 0.450 -12.365 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.432 -0.405 -13.378 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.906 -0.847 -14.118 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.227 -1.943 -11.958 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.814 -1.579 -11.311 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.749 -3.878 -12.154 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.876 -2.920 -13.093 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.213 -2.634 -14.881 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.002 -3.462 -13.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.984 -4.931 -15.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.357 -5.469 -13.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.533 -4.667 -14.914 1.00 0.00 H new ATOM 994 N ASP A 64 -1.568 2.805 -13.351 1.00 0.00 N ATOM 995 CA ASP A 64 -1.623 4.007 -14.174 1.00 0.00 C ATOM 996 C ASP A 64 -0.377 4.860 -13.939 1.00 0.00 C ATOM 997 O ASP A 64 -0.062 5.767 -14.714 1.00 0.00 O ATOM 998 CB ASP A 64 -2.893 4.799 -13.842 1.00 0.00 C ATOM 999 CG ASP A 64 -3.038 6.066 -14.661 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -3.016 5.983 -15.906 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -3.179 7.153 -14.057 1.00 0.00 O ATOM 0 H ASP A 64 -2.189 2.825 -12.542 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.651 3.725 -15.227 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.763 4.164 -14.009 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.886 5.057 -12.783 1.00 0.00 H new ATOM 1006 N ALA A 65 0.338 4.550 -12.866 1.00 0.00 N ATOM 1007 CA ALA A 65 1.565 5.250 -12.525 1.00 0.00 C ATOM 1008 C ALA A 65 2.719 4.260 -12.439 1.00 0.00 C ATOM 1009 O ALA A 65 2.821 3.357 -13.273 1.00 0.00 O ATOM 1010 CB ALA A 65 1.389 6.000 -11.212 1.00 0.00 C ATOM 0 H ALA A 65 0.084 3.810 -12.212 1.00 0.00 H new ATOM 0 HA ALA A 65 1.795 5.977 -13.304 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.313 6.522 -10.964 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.580 6.723 -11.312 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.148 5.293 -10.419 1.00 0.00 H new ATOM 1016 N ALA A 66 3.593 4.440 -11.449 1.00 0.00 N ATOM 1017 CA ALA A 66 4.689 3.510 -11.202 1.00 0.00 C ATOM 1018 C ALA A 66 4.143 2.095 -11.036 1.00 0.00 C ATOM 1019 O ALA A 66 3.604 1.740 -9.990 1.00 0.00 O ATOM 1020 CB ALA A 66 5.474 3.940 -9.972 1.00 0.00 C ATOM 0 H ALA A 66 3.560 5.228 -10.802 1.00 0.00 H new ATOM 0 HA ALA A 66 5.366 3.518 -12.056 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.290 3.238 -9.797 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.882 4.938 -10.131 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.814 3.952 -9.105 1.00 0.00 H new ATOM 1026 N THR A 67 4.278 1.304 -12.085 1.00 0.00 N ATOM 1027 CA THR A 67 3.617 0.017 -12.172 1.00 0.00 C ATOM 1028 C THR A 67 4.435 -1.096 -11.519 1.00 0.00 C ATOM 1029 O THR A 67 3.885 -1.988 -10.876 1.00 0.00 O ATOM 1030 CB THR A 67 3.362 -0.341 -13.646 1.00 0.00 C ATOM 1031 OG1 THR A 67 3.138 0.859 -14.402 1.00 0.00 O ATOM 1032 CG2 THR A 67 2.154 -1.248 -13.783 1.00 0.00 C ATOM 0 H THR A 67 4.848 1.536 -12.898 1.00 0.00 H new ATOM 0 HA THR A 67 2.673 0.101 -11.634 1.00 0.00 H new ATOM 0 HB THR A 67 4.239 -0.865 -14.027 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.913 1.592 -13.792 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.995 -1.486 -14.835 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.325 -2.168 -13.224 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.273 -0.742 -13.389 1.00 0.00 H new ATOM 1040 N LYS A 68 5.749 -1.030 -11.680 1.00 0.00 N ATOM 1041 CA LYS A 68 6.625 -2.111 -11.248 1.00 0.00 C ATOM 1042 C LYS A 68 6.738 -2.166 -9.725 1.00 0.00 C ATOM 1043 O LYS A 68 6.815 -3.248 -9.138 1.00 0.00 O ATOM 1044 CB LYS A 68 8.010 -1.950 -11.880 1.00 0.00 C ATOM 1045 CG LYS A 68 8.924 -3.144 -11.660 1.00 0.00 C ATOM 1046 CD LYS A 68 10.275 -2.936 -12.322 1.00 0.00 C ATOM 1047 CE LYS A 68 11.177 -4.147 -12.146 1.00 0.00 C ATOM 1048 NZ LYS A 68 10.627 -5.359 -12.810 1.00 0.00 N ATOM 0 H LYS A 68 6.232 -0.240 -12.107 1.00 0.00 H new ATOM 0 HA LYS A 68 6.187 -3.052 -11.581 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.894 -1.785 -12.951 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.486 -1.059 -11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.062 -3.307 -10.591 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.455 -4.042 -12.061 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.134 -2.738 -13.385 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.758 -2.057 -11.896 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.163 -3.926 -12.556 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.311 -4.347 -11.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.362 -6.093 -12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.816 -5.715 -12.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.318 -5.117 -13.773 1.00 0.00 H new ATOM 1062 N ILE A 69 6.735 -1.002 -9.087 1.00 0.00 N ATOM 1063 CA ILE A 69 6.861 -0.920 -7.635 1.00 0.00 C ATOM 1064 C ILE A 69 5.667 -1.576 -6.936 1.00 0.00 C ATOM 1065 O ILE A 69 5.783 -2.030 -5.799 1.00 0.00 O ATOM 1066 CB ILE A 69 7.017 0.548 -7.162 1.00 0.00 C ATOM 1067 CG1 ILE A 69 7.117 0.627 -5.634 1.00 0.00 C ATOM 1068 CG2 ILE A 69 5.859 1.393 -7.661 1.00 0.00 C ATOM 1069 CD1 ILE A 69 7.443 2.013 -5.115 1.00 0.00 C ATOM 0 H ILE A 69 6.646 -0.099 -9.553 1.00 0.00 H new ATOM 0 HA ILE A 69 7.764 -1.465 -7.360 1.00 0.00 H new ATOM 0 HB ILE A 69 7.943 0.941 -7.583 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.173 0.299 -5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.884 -0.069 -5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.985 2.421 -7.320 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.837 1.373 -8.751 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.923 0.993 -7.272 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.497 1.990 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.402 2.337 -5.520 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.665 2.710 -5.425 1.00 0.00 H new ATOM 1081 N LEU A 70 4.539 -1.658 -7.634 1.00 0.00 N ATOM 1082 CA LEU A 70 3.337 -2.283 -7.088 1.00 0.00 C ATOM 1083 C LEU A 70 3.657 -3.704 -6.625 1.00 0.00 C ATOM 1084 O LEU A 70 3.368 -4.080 -5.488 1.00 0.00 O ATOM 1085 CB LEU A 70 2.227 -2.295 -8.153 1.00 0.00 C ATOM 1086 CG LEU A 70 0.786 -2.268 -7.627 1.00 0.00 C ATOM 1087 CD1 LEU A 70 -0.190 -2.054 -8.771 1.00 0.00 C ATOM 1088 CD2 LEU A 70 0.445 -3.551 -6.888 1.00 0.00 C ATOM 0 H LEU A 70 4.431 -1.298 -8.582 1.00 0.00 H new ATOM 0 HA LEU A 70 2.987 -1.710 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.370 -1.435 -8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.351 -3.187 -8.768 1.00 0.00 H new ATOM 0 HG LEU A 70 0.703 -1.438 -6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.208 -2.037 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.027 -1.105 -9.262 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.090 -2.866 -9.491 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.582 -3.501 -6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.552 -4.400 -7.564 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.121 -3.674 -6.042 1.00 0.00 H new ATOM 1100 N SER A 71 4.297 -4.470 -7.501 1.00 0.00 N ATOM 1101 CA SER A 71 4.687 -5.838 -7.189 1.00 0.00 C ATOM 1102 C SER A 71 5.752 -5.861 -6.092 1.00 0.00 C ATOM 1103 O SER A 71 5.857 -6.819 -5.324 1.00 0.00 O ATOM 1104 CB SER A 71 5.218 -6.514 -8.451 1.00 0.00 C ATOM 1105 OG SER A 71 4.345 -6.297 -9.548 1.00 0.00 O ATOM 0 H SER A 71 4.558 -4.163 -8.438 1.00 0.00 H new ATOM 0 HA SER A 71 3.814 -6.380 -6.825 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.209 -6.125 -8.687 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.329 -7.584 -8.276 1.00 0.00 H new ATOM 0 HG SER A 71 4.706 -6.737 -10.346 1.00 0.00 H new ATOM 1111 N GLU A 72 6.525 -4.789 -6.005 1.00 0.00 N ATOM 1112 CA GLU A 72 7.594 -4.705 -5.025 1.00 0.00 C ATOM 1113 C GLU A 72 7.013 -4.446 -3.637 1.00 0.00 C ATOM 1114 O GLU A 72 7.660 -4.703 -2.623 1.00 0.00 O ATOM 1115 CB GLU A 72 8.588 -3.609 -5.421 1.00 0.00 C ATOM 1116 CG GLU A 72 9.849 -3.583 -4.574 1.00 0.00 C ATOM 1117 CD GLU A 72 10.965 -2.792 -5.225 1.00 0.00 C ATOM 1118 OE1 GLU A 72 11.646 -3.348 -6.110 1.00 0.00 O ATOM 1119 OE2 GLU A 72 11.171 -1.619 -4.857 1.00 0.00 O ATOM 0 H GLU A 72 6.431 -3.967 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 72 8.130 -5.654 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.867 -3.746 -6.466 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.093 -2.640 -5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.621 -3.150 -3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.186 -4.604 -4.398 1.00 0.00 H new ATOM 1126 N VAL A 73 5.797 -3.916 -3.599 1.00 0.00 N ATOM 1127 CA VAL A 73 5.076 -3.743 -2.346 1.00 0.00 C ATOM 1128 C VAL A 73 4.286 -5.008 -1.989 1.00 0.00 C ATOM 1129 O VAL A 73 4.277 -5.442 -0.834 1.00 0.00 O ATOM 1130 CB VAL A 73 4.120 -2.530 -2.404 1.00 0.00 C ATOM 1131 CG1 VAL A 73 3.391 -2.344 -1.079 1.00 0.00 C ATOM 1132 CG2 VAL A 73 4.882 -1.265 -2.773 1.00 0.00 C ATOM 0 H VAL A 73 5.289 -3.598 -4.424 1.00 0.00 H new ATOM 0 HA VAL A 73 5.820 -3.558 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 73 3.376 -2.725 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.725 -1.484 -1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.808 -3.237 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.118 -2.178 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.192 -0.422 -2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.651 -1.073 -2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.349 -1.393 -3.749 1.00 0.00 H new ATOM 1142 N THR A 74 3.648 -5.609 -2.991 1.00 0.00 N ATOM 1143 CA THR A 74 2.777 -6.765 -2.780 1.00 0.00 C ATOM 1144 C THR A 74 3.521 -7.952 -2.179 1.00 0.00 C ATOM 1145 O THR A 74 2.996 -8.623 -1.289 1.00 0.00 O ATOM 1146 CB THR A 74 2.109 -7.209 -4.093 1.00 0.00 C ATOM 1147 OG1 THR A 74 3.101 -7.423 -5.099 1.00 0.00 O ATOM 1148 CG2 THR A 74 1.117 -6.166 -4.572 1.00 0.00 C ATOM 0 H THR A 74 3.718 -5.312 -3.964 1.00 0.00 H new ATOM 0 HA THR A 74 2.015 -6.440 -2.072 1.00 0.00 H new ATOM 0 HB THR A 74 1.574 -8.140 -3.905 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.966 -7.088 -4.782 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.657 -6.501 -5.502 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.345 -6.024 -3.816 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.635 -5.223 -4.743 1.00 0.00 H new ATOM 1156 N ARG A 75 4.733 -8.217 -2.663 1.00 0.00 N ATOM 1157 CA ARG A 75 5.526 -9.325 -2.138 1.00 0.00 C ATOM 1158 C ARG A 75 5.718 -9.210 -0.616 1.00 0.00 C ATOM 1159 O ARG A 75 5.425 -10.162 0.109 1.00 0.00 O ATOM 1160 CB ARG A 75 6.874 -9.455 -2.865 1.00 0.00 C ATOM 1161 CG ARG A 75 6.837 -10.391 -4.067 1.00 0.00 C ATOM 1162 CD ARG A 75 6.065 -9.804 -5.237 1.00 0.00 C ATOM 1163 NE ARG A 75 5.848 -10.788 -6.300 1.00 0.00 N ATOM 1164 CZ ARG A 75 6.069 -10.554 -7.593 1.00 0.00 C ATOM 1165 NH1 ARG A 75 6.612 -9.408 -7.979 1.00 0.00 N ATOM 1166 NH2 ARG A 75 5.787 -11.484 -8.494 1.00 0.00 N ATOM 0 H ARG A 75 5.183 -7.686 -3.409 1.00 0.00 H new ATOM 0 HA ARG A 75 4.966 -10.240 -2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.195 -8.467 -3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.623 -9.814 -2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.857 -10.612 -4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.382 -11.337 -3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.103 -9.431 -4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.610 -8.950 -5.639 1.00 0.00 H new ATOM 0 HE ARG A 75 5.506 -11.711 -6.033 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.862 -8.703 -7.286 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.780 -9.231 -8.969 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.400 -12.380 -8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.957 -11.304 -9.483 1.00 0.00 H new ATOM 1180 N PRO A 76 6.217 -8.067 -0.095 1.00 0.00 N ATOM 1181 CA PRO A 76 6.284 -7.840 1.355 1.00 0.00 C ATOM 1182 C PRO A 76 4.906 -7.823 2.017 1.00 0.00 C ATOM 1183 O PRO A 76 4.705 -8.463 3.046 1.00 0.00 O ATOM 1184 CB PRO A 76 6.954 -6.466 1.486 1.00 0.00 C ATOM 1185 CG PRO A 76 7.665 -6.266 0.197 1.00 0.00 C ATOM 1186 CD PRO A 76 6.828 -6.956 -0.841 1.00 0.00 C ATOM 0 HA PRO A 76 6.828 -8.642 1.854 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.217 -5.681 1.657 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.646 -6.442 2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.774 -5.205 -0.030 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.669 -6.688 0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.074 -6.289 -1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.433 -7.315 -1.673 1.00 0.00 H new ATOM 1194 N MET A 77 3.955 -7.112 1.414 1.00 0.00 N ATOM 1195 CA MET A 77 2.614 -6.973 1.991 1.00 0.00 C ATOM 1196 C MET A 77 1.894 -8.309 2.097 1.00 0.00 C ATOM 1197 O MET A 77 0.883 -8.418 2.780 1.00 0.00 O ATOM 1198 CB MET A 77 1.757 -6.013 1.172 1.00 0.00 C ATOM 1199 CG MET A 77 2.031 -4.549 1.449 1.00 0.00 C ATOM 1200 SD MET A 77 1.807 -4.117 3.185 1.00 0.00 S ATOM 1201 CE MET A 77 2.055 -2.347 3.122 1.00 0.00 C ATOM 0 H MET A 77 4.085 -6.623 0.528 1.00 0.00 H new ATOM 0 HA MET A 77 2.755 -6.572 2.995 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.923 -6.208 0.113 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.706 -6.219 1.373 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.051 -4.311 1.148 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.368 -3.937 0.838 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.161 -1.958 4.135 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.957 -2.126 2.552 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.198 -1.876 2.641 1.00 0.00 H new ATOM 1211 N SER A 78 2.408 -9.314 1.408 1.00 0.00 N ATOM 1212 CA SER A 78 1.831 -10.648 1.437 1.00 0.00 C ATOM 1213 C SER A 78 1.974 -11.288 2.817 1.00 0.00 C ATOM 1214 O SER A 78 1.332 -12.299 3.105 1.00 0.00 O ATOM 1215 CB SER A 78 2.514 -11.522 0.389 1.00 0.00 C ATOM 1216 OG SER A 78 2.031 -12.856 0.432 1.00 0.00 O ATOM 0 H SER A 78 3.234 -9.229 0.815 1.00 0.00 H new ATOM 0 HA SER A 78 0.767 -10.564 1.214 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.343 -11.104 -0.603 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.591 -11.518 0.556 1.00 0.00 H new ATOM 0 HG SER A 78 2.486 -13.391 -0.252 1.00 0.00 H new ATOM 1222 N VAL A 79 2.818 -10.713 3.655 1.00 0.00 N ATOM 1223 CA VAL A 79 3.067 -11.248 4.981 1.00 0.00 C ATOM 1224 C VAL A 79 3.104 -10.103 5.992 1.00 0.00 C ATOM 1225 O VAL A 79 3.231 -8.940 5.607 1.00 0.00 O ATOM 1226 CB VAL A 79 4.404 -12.035 5.005 1.00 0.00 C ATOM 1227 CG1 VAL A 79 5.595 -11.101 4.854 1.00 0.00 C ATOM 1228 CG2 VAL A 79 4.532 -12.878 6.264 1.00 0.00 C ATOM 0 H VAL A 79 3.347 -9.868 3.438 1.00 0.00 H new ATOM 0 HA VAL A 79 2.264 -11.935 5.247 1.00 0.00 H new ATOM 0 HB VAL A 79 4.397 -12.713 4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.517 -11.681 4.875 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.522 -10.569 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.600 -10.382 5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.480 -13.415 6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.497 -12.231 7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.710 -13.593 6.308 1.00 0.00 H new ATOM 1238 N HIS A 80 2.959 -10.423 7.275 1.00 0.00 N ATOM 1239 CA HIS A 80 3.077 -9.416 8.326 1.00 0.00 C ATOM 1240 C HIS A 80 4.484 -8.830 8.287 1.00 0.00 C ATOM 1241 O HIS A 80 5.452 -9.489 8.669 1.00 0.00 O ATOM 1242 CB HIS A 80 2.776 -10.025 9.700 1.00 0.00 C ATOM 1243 CG HIS A 80 1.341 -10.432 9.888 1.00 0.00 C ATOM 1244 ND1 HIS A 80 0.600 -10.078 10.993 1.00 0.00 N ATOM 1245 CD2 HIS A 80 0.517 -11.181 9.115 1.00 0.00 C ATOM 1246 CE1 HIS A 80 -0.611 -10.594 10.895 1.00 0.00 C ATOM 1247 NE2 HIS A 80 -0.688 -11.268 9.764 1.00 0.00 N ATOM 0 H HIS A 80 2.761 -11.366 7.611 1.00 0.00 H new ATOM 0 HA HIS A 80 2.349 -8.623 8.155 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.412 -10.898 9.846 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.042 -9.303 10.472 1.00 0.00 H new ATOM 0 HD1 HIS A 80 0.935 -9.505 11.768 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.764 -11.627 8.163 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.405 -10.483 11.619 1.00 0.00 H new ATOM 1256 N MET A 81 4.594 -7.597 7.815 1.00 0.00 N ATOM 1257 CA MET A 81 5.880 -7.065 7.390 1.00 0.00 C ATOM 1258 C MET A 81 6.318 -5.825 8.174 1.00 0.00 C ATOM 1259 O MET A 81 5.503 -5.088 8.729 1.00 0.00 O ATOM 1260 CB MET A 81 5.806 -6.735 5.891 1.00 0.00 C ATOM 1261 CG MET A 81 6.815 -7.491 5.032 1.00 0.00 C ATOM 1262 SD MET A 81 8.376 -6.607 4.825 1.00 0.00 S ATOM 1263 CE MET A 81 9.331 -7.800 3.890 1.00 0.00 C ATOM 0 H MET A 81 3.812 -6.949 7.717 1.00 0.00 H new ATOM 0 HA MET A 81 6.630 -7.830 7.589 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.801 -6.957 5.531 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.963 -5.665 5.758 1.00 0.00 H new ATOM 0 HG2 MET A 81 7.012 -8.463 5.485 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.379 -7.679 4.051 1.00 0.00 H new ATOM 0 HE1 MET A 81 10.224 -8.072 4.452 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.728 -8.691 3.714 1.00 0.00 H new ATOM 0 HE3 MET A 81 9.622 -7.364 2.934 1.00 0.00 H new ATOM 1273 N PRO A 82 7.652 -5.649 8.228 1.00 0.00 N ATOM 1274 CA PRO A 82 8.394 -4.445 8.666 1.00 0.00 C ATOM 1275 C PRO A 82 7.853 -3.066 8.234 1.00 0.00 C ATOM 1276 O PRO A 82 8.516 -2.068 8.479 1.00 0.00 O ATOM 1277 CB PRO A 82 9.771 -4.662 8.057 1.00 0.00 C ATOM 1278 CG PRO A 82 9.969 -6.127 8.143 1.00 0.00 C ATOM 1279 CD PRO A 82 8.612 -6.739 7.917 1.00 0.00 C ATOM 0 HA PRO A 82 8.335 -4.376 9.752 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.812 -4.313 7.025 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.541 -4.121 8.607 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.682 -6.470 7.393 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.369 -6.411 9.116 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.499 -7.085 6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.454 -7.602 8.563 1.00 0.00 H new ATOM 1287 N ALA A 83 6.701 -3.034 7.546 1.00 0.00 N ATOM 1288 CA ALA A 83 6.196 -1.870 6.783 1.00 0.00 C ATOM 1289 C ALA A 83 6.454 -0.497 7.419 1.00 0.00 C ATOM 1290 O ALA A 83 6.637 0.483 6.686 1.00 0.00 O ATOM 1291 CB ALA A 83 4.699 -2.036 6.553 1.00 0.00 C ATOM 0 H ALA A 83 6.074 -3.837 7.501 1.00 0.00 H new ATOM 0 HA ALA A 83 6.762 -1.869 5.852 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.320 -1.182 5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.517 -2.951 5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.188 -2.094 7.514 1.00 0.00 H new ATOM 1297 N MET A 84 6.479 -0.419 8.745 1.00 0.00 N ATOM 1298 CA MET A 84 6.862 0.812 9.440 1.00 0.00 C ATOM 1299 C MET A 84 8.193 1.337 8.894 1.00 0.00 C ATOM 1300 O MET A 84 8.328 2.510 8.551 1.00 0.00 O ATOM 1301 CB MET A 84 7.013 0.569 10.948 1.00 0.00 C ATOM 1302 CG MET A 84 5.835 -0.130 11.612 1.00 0.00 C ATOM 1303 SD MET A 84 5.680 -1.867 11.134 1.00 0.00 S ATOM 1304 CE MET A 84 7.365 -2.434 11.369 1.00 0.00 C ATOM 0 H MET A 84 6.239 -1.193 9.364 1.00 0.00 H new ATOM 0 HA MET A 84 6.073 1.545 9.271 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.910 -0.027 11.116 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.171 1.528 11.441 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.945 -0.066 12.695 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.916 0.395 11.353 1.00 0.00 H new ATOM 0 HE1 MET A 84 7.398 -3.520 11.288 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.007 -1.993 10.606 1.00 0.00 H new ATOM 0 HE3 MET A 84 7.716 -2.133 12.356 1.00 0.00 H new ATOM 1314 N LYS A 85 9.176 0.452 8.809 1.00 0.00 N ATOM 1315 CA LYS A 85 10.484 0.813 8.287 1.00 0.00 C ATOM 1316 C LYS A 85 10.503 0.694 6.764 1.00 0.00 C ATOM 1317 O LYS A 85 11.399 1.217 6.108 1.00 0.00 O ATOM 1318 CB LYS A 85 11.582 -0.060 8.906 1.00 0.00 C ATOM 1319 CG LYS A 85 11.521 -1.522 8.491 1.00 0.00 C ATOM 1320 CD LYS A 85 12.556 -2.361 9.224 1.00 0.00 C ATOM 1321 CE LYS A 85 12.260 -2.442 10.712 1.00 0.00 C ATOM 1322 NZ LYS A 85 13.272 -3.254 11.436 1.00 0.00 N ATOM 0 H LYS A 85 9.091 -0.523 9.096 1.00 0.00 H new ATOM 0 HA LYS A 85 10.682 1.850 8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.554 0.346 8.627 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.511 0.002 9.992 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.525 -1.916 8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.684 -1.602 7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.576 -3.366 8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.546 -1.932 9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.234 -1.436 11.132 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.272 -2.876 10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.034 -3.284 12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.280 -4.221 11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.212 -2.826 11.315 1.00 0.00 H new ATOM 1336 N ILE A 86 9.506 0.014 6.202 1.00 0.00 N ATOM 1337 CA ILE A 86 9.414 -0.140 4.750 1.00 0.00 C ATOM 1338 C ILE A 86 9.325 1.219 4.075 1.00 0.00 C ATOM 1339 O ILE A 86 9.991 1.461 3.069 1.00 0.00 O ATOM 1340 CB ILE A 86 8.212 -1.019 4.318 1.00 0.00 C ATOM 1341 CG1 ILE A 86 8.506 -2.495 4.605 1.00 0.00 C ATOM 1342 CG2 ILE A 86 7.875 -0.815 2.844 1.00 0.00 C ATOM 1343 CD1 ILE A 86 7.445 -3.445 4.084 1.00 0.00 C ATOM 0 H ILE A 86 8.755 -0.437 6.725 1.00 0.00 H new ATOM 0 HA ILE A 86 10.323 -0.650 4.432 1.00 0.00 H new ATOM 0 HB ILE A 86 7.343 -0.713 4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.465 -2.758 4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.606 -2.633 5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.028 -1.446 2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.619 0.230 2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.737 -1.084 2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.724 -4.470 4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.487 -3.211 4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.360 -3.338 3.003 1.00 0.00 H new ATOM 1355 N CYS A 87 8.528 2.112 4.645 1.00 0.00 N ATOM 1356 CA CYS A 87 8.379 3.449 4.083 1.00 0.00 C ATOM 1357 C CYS A 87 9.673 4.244 4.208 1.00 0.00 C ATOM 1358 O CYS A 87 9.917 5.190 3.459 1.00 0.00 O ATOM 1359 CB CYS A 87 7.232 4.192 4.756 1.00 0.00 C ATOM 1360 SG CYS A 87 6.753 5.723 3.903 1.00 0.00 S ATOM 0 H CYS A 87 7.979 1.939 5.487 1.00 0.00 H new ATOM 0 HA CYS A 87 8.148 3.341 3.023 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.366 3.532 4.812 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.517 4.431 5.780 1.00 0.00 H new ATOM 1365 N GLU A 88 10.513 3.839 5.142 1.00 0.00 N ATOM 1366 CA GLU A 88 11.825 4.433 5.291 1.00 0.00 C ATOM 1367 C GLU A 88 12.745 3.902 4.199 1.00 0.00 C ATOM 1368 O GLU A 88 13.470 4.659 3.553 1.00 0.00 O ATOM 1369 CB GLU A 88 12.375 4.105 6.674 1.00 0.00 C ATOM 1370 CG GLU A 88 13.840 4.463 6.868 1.00 0.00 C ATOM 1371 CD GLU A 88 14.132 5.922 6.575 1.00 0.00 C ATOM 1372 OE1 GLU A 88 13.473 6.796 7.173 1.00 0.00 O ATOM 1373 OE2 GLU A 88 15.012 6.202 5.739 1.00 0.00 O ATOM 0 H GLU A 88 10.307 3.097 5.811 1.00 0.00 H new ATOM 0 HA GLU A 88 11.760 5.517 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.783 4.632 7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.246 3.039 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.132 4.238 7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.451 3.837 6.218 1.00 0.00 H new ATOM 1380 N LYS A 89 12.680 2.594 3.973 1.00 0.00 N ATOM 1381 CA LYS A 89 13.452 1.952 2.916 1.00 0.00 C ATOM 1382 C LYS A 89 13.054 2.520 1.553 1.00 0.00 C ATOM 1383 O LYS A 89 13.841 2.516 0.607 1.00 0.00 O ATOM 1384 CB LYS A 89 13.234 0.435 2.946 1.00 0.00 C ATOM 1385 CG LYS A 89 13.529 -0.193 4.304 1.00 0.00 C ATOM 1386 CD LYS A 89 13.442 -1.719 4.288 1.00 0.00 C ATOM 1387 CE LYS A 89 12.024 -2.241 4.073 1.00 0.00 C ATOM 1388 NZ LYS A 89 11.558 -2.062 2.669 1.00 0.00 N ATOM 0 H LYS A 89 12.096 1.954 4.512 1.00 0.00 H new ATOM 0 HA LYS A 89 14.510 2.154 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.202 0.218 2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.870 -0.031 2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.526 0.105 4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.826 0.198 5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.087 -2.104 3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.826 -2.108 5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.986 -3.299 4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.343 -1.722 4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.037 -2.910 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.932 -1.233 2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.379 -1.918 2.046 1.00 0.00 H new ATOM 1402 N LEU A 90 11.829 3.036 1.481 1.00 0.00 N ATOM 1403 CA LEU A 90 11.298 3.632 0.260 1.00 0.00 C ATOM 1404 C LEU A 90 12.031 4.911 -0.124 1.00 0.00 C ATOM 1405 O LEU A 90 11.949 5.351 -1.271 1.00 0.00 O ATOM 1406 CB LEU A 90 9.806 3.924 0.416 1.00 0.00 C ATOM 1407 CG LEU A 90 8.898 2.720 0.199 1.00 0.00 C ATOM 1408 CD1 LEU A 90 7.446 3.095 0.435 1.00 0.00 C ATOM 1409 CD2 LEU A 90 9.091 2.188 -1.210 1.00 0.00 C ATOM 0 H LEU A 90 11.179 3.052 2.267 1.00 0.00 H new ATOM 0 HA LEU A 90 11.451 2.908 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.629 4.320 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.526 4.705 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 90 9.163 1.941 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.814 2.221 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.323 3.449 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.157 3.884 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.442 1.327 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.840 2.967 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.130 1.888 -1.347 1.00 0.00 H new ATOM 1421 N LYS A 91 12.753 5.502 0.825 1.00 0.00 N ATOM 1422 CA LYS A 91 13.512 6.715 0.545 1.00 0.00 C ATOM 1423 C LYS A 91 14.602 6.446 -0.490 1.00 0.00 C ATOM 1424 O LYS A 91 15.099 7.368 -1.135 1.00 0.00 O ATOM 1425 CB LYS A 91 14.146 7.296 1.815 1.00 0.00 C ATOM 1426 CG LYS A 91 13.165 7.957 2.777 1.00 0.00 C ATOM 1427 CD LYS A 91 13.914 8.692 3.884 1.00 0.00 C ATOM 1428 CE LYS A 91 12.988 9.478 4.804 1.00 0.00 C ATOM 1429 NZ LYS A 91 12.175 8.596 5.685 1.00 0.00 N ATOM 0 H LYS A 91 12.828 5.164 1.785 1.00 0.00 H new ATOM 0 HA LYS A 91 12.808 7.446 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.667 6.497 2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.898 8.030 1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.529 8.656 2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.510 7.203 3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.479 7.971 4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.637 9.373 3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.581 10.154 5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.323 10.097 4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.347 9.121 6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.857 7.765 5.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.752 8.285 6.492 1.00 0.00 H new ATOM 1443 N LYS A 92 14.970 5.176 -0.637 1.00 0.00 N ATOM 1444 CA LYS A 92 15.953 4.766 -1.632 1.00 0.00 C ATOM 1445 C LYS A 92 15.381 4.923 -3.039 1.00 0.00 C ATOM 1446 O LYS A 92 16.109 5.174 -3.998 1.00 0.00 O ATOM 1447 CB LYS A 92 16.368 3.311 -1.382 1.00 0.00 C ATOM 1448 CG LYS A 92 17.314 2.731 -2.426 1.00 0.00 C ATOM 1449 CD LYS A 92 18.625 3.500 -2.506 1.00 0.00 C ATOM 1450 CE LYS A 92 19.568 2.864 -3.515 1.00 0.00 C ATOM 1451 NZ LYS A 92 20.816 3.650 -3.689 1.00 0.00 N ATOM 0 H LYS A 92 14.599 4.410 -0.075 1.00 0.00 H new ATOM 0 HA LYS A 92 16.833 5.404 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.844 3.246 -0.404 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.471 2.693 -1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.521 1.688 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 92 16.827 2.744 -3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 92 18.428 4.534 -2.789 1.00 0.00 H new ATOM 0 HD3 LYS A 92 19.098 3.523 -1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 92 19.819 1.854 -3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 92 19.061 2.772 -4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 21.428 3.179 -4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 20.580 4.606 -4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 21.314 3.716 -2.779 1.00 0.00 H new ATOM 1465 N LEU A 93 14.069 4.784 -3.148 1.00 0.00 N ATOM 1466 CA LEU A 93 13.394 4.911 -4.429 1.00 0.00 C ATOM 1467 C LEU A 93 13.013 6.362 -4.684 1.00 0.00 C ATOM 1468 O LEU A 93 13.457 6.971 -5.660 1.00 0.00 O ATOM 1469 CB LEU A 93 12.150 4.024 -4.459 1.00 0.00 C ATOM 1470 CG LEU A 93 12.429 2.526 -4.337 1.00 0.00 C ATOM 1471 CD1 LEU A 93 11.129 1.749 -4.230 1.00 0.00 C ATOM 1472 CD2 LEU A 93 13.243 2.036 -5.525 1.00 0.00 C ATOM 0 H LEU A 93 13.450 4.583 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 93 14.075 4.587 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.488 4.323 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.614 4.205 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 93 13.008 2.358 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.347 0.685 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.579 2.079 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.526 1.925 -5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.432 0.968 -5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.689 2.218 -6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.192 2.570 -5.561 1.00 0.00 H new ATOM 1484 N ASP A 94 12.208 6.917 -3.791 1.00 0.00 N ATOM 1485 CA ASP A 94 11.760 8.294 -3.914 1.00 0.00 C ATOM 1486 C ASP A 94 11.484 8.886 -2.538 1.00 0.00 C ATOM 1487 O ASP A 94 10.851 8.255 -1.693 1.00 0.00 O ATOM 1488 CB ASP A 94 10.509 8.378 -4.790 1.00 0.00 C ATOM 1489 CG ASP A 94 9.977 9.791 -4.900 1.00 0.00 C ATOM 1490 OD1 ASP A 94 10.673 10.652 -5.480 1.00 0.00 O ATOM 1491 OD2 ASP A 94 8.860 10.045 -4.413 1.00 0.00 O ATOM 0 H ASP A 94 11.850 6.431 -2.969 1.00 0.00 H new ATOM 0 HA ASP A 94 12.552 8.872 -4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.740 8.001 -5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.735 7.732 -4.376 1.00 0.00 H new ATOM 1496 N SER A 95 11.969 10.097 -2.316 1.00 0.00 N ATOM 1497 CA SER A 95 11.866 10.739 -1.016 1.00 0.00 C ATOM 1498 C SER A 95 10.528 11.458 -0.852 1.00 0.00 C ATOM 1499 O SER A 95 10.095 11.727 0.271 1.00 0.00 O ATOM 1500 CB SER A 95 13.020 11.725 -0.845 1.00 0.00 C ATOM 1501 OG SER A 95 14.259 11.108 -1.165 1.00 0.00 O ATOM 0 H SER A 95 12.441 10.658 -3.025 1.00 0.00 H new ATOM 0 HA SER A 95 11.922 9.970 -0.246 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.863 12.591 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.044 12.090 0.182 1.00 0.00 H new ATOM 0 HG SER A 95 14.986 11.755 -1.051 1.00 0.00 H new ATOM 1507 N GLN A 96 9.868 11.744 -1.970 1.00 0.00 N ATOM 1508 CA GLN A 96 8.618 12.500 -1.953 1.00 0.00 C ATOM 1509 C GLN A 96 7.506 11.686 -1.303 1.00 0.00 C ATOM 1510 O GLN A 96 6.602 12.238 -0.678 1.00 0.00 O ATOM 1511 CB GLN A 96 8.211 12.883 -3.375 1.00 0.00 C ATOM 1512 CG GLN A 96 9.288 13.631 -4.138 1.00 0.00 C ATOM 1513 CD GLN A 96 8.903 13.881 -5.581 1.00 0.00 C ATOM 1514 OE1 GLN A 96 8.314 14.911 -5.911 1.00 0.00 O ATOM 1515 NE2 GLN A 96 9.215 12.932 -6.449 1.00 0.00 N ATOM 0 H GLN A 96 10.177 11.464 -2.901 1.00 0.00 H new ATOM 0 HA GLN A 96 8.777 13.407 -1.369 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.951 11.979 -3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.313 13.500 -3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.483 14.584 -3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.216 13.060 -4.106 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.703 12.094 -6.134 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.967 13.039 -7.433 1.00 0.00 H new ATOM 1524 N ILE A 97 7.597 10.368 -1.455 1.00 0.00 N ATOM 1525 CA ILE A 97 6.628 9.435 -0.883 1.00 0.00 C ATOM 1526 C ILE A 97 6.513 9.615 0.630 1.00 0.00 C ATOM 1527 O ILE A 97 5.441 9.452 1.214 1.00 0.00 O ATOM 1528 CB ILE A 97 7.047 7.974 -1.166 1.00 0.00 C ATOM 1529 CG1 ILE A 97 7.401 7.794 -2.646 1.00 0.00 C ATOM 1530 CG2 ILE A 97 5.945 7.008 -0.752 1.00 0.00 C ATOM 1531 CD1 ILE A 97 7.774 6.379 -3.015 1.00 0.00 C ATOM 0 H ILE A 97 8.346 9.915 -1.979 1.00 0.00 H new ATOM 0 HA ILE A 97 5.666 9.647 -1.349 1.00 0.00 H new ATOM 0 HB ILE A 97 7.934 7.750 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.552 8.106 -3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.231 8.455 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 97 6.260 5.986 -0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.747 7.117 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.037 7.229 -1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 97 8.011 6.331 -4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.643 6.069 -2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.937 5.714 -2.799 1.00 0.00 H new ATOM 1543 N CYS A 98 7.628 9.965 1.249 1.00 0.00 N ATOM 1544 CA CYS A 98 7.709 10.053 2.697 1.00 0.00 C ATOM 1545 C CYS A 98 7.009 11.302 3.228 1.00 0.00 C ATOM 1546 O CYS A 98 6.386 11.272 4.290 1.00 0.00 O ATOM 1547 CB CYS A 98 9.175 10.048 3.131 1.00 0.00 C ATOM 1548 SG CYS A 98 9.430 10.143 4.932 1.00 0.00 S ATOM 0 H CYS A 98 8.497 10.195 0.766 1.00 0.00 H new ATOM 0 HA CYS A 98 7.198 9.186 3.116 1.00 0.00 H new ATOM 0 HB2 CYS A 98 9.648 9.140 2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 98 9.683 10.889 2.660 1.00 0.00 H new ATOM 1553 N GLU A 99 7.096 12.395 2.489 1.00 0.00 N ATOM 1554 CA GLU A 99 6.569 13.662 2.966 1.00 0.00 C ATOM 1555 C GLU A 99 5.085 13.802 2.642 1.00 0.00 C ATOM 1556 O GLU A 99 4.261 13.115 3.250 1.00 0.00 O ATOM 1557 CB GLU A 99 7.387 14.821 2.397 1.00 0.00 C ATOM 1558 CG GLU A 99 8.786 14.884 2.985 1.00 0.00 C ATOM 1559 CD GLU A 99 9.682 15.884 2.290 1.00 0.00 C ATOM 1560 OE1 GLU A 99 10.369 15.496 1.324 1.00 0.00 O ATOM 1561 OE2 GLU A 99 9.719 17.058 2.713 1.00 0.00 O ATOM 0 H GLU A 99 7.523 12.431 1.563 1.00 0.00 H new ATOM 0 HA GLU A 99 6.658 13.688 4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.455 14.717 1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.870 15.760 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.717 15.141 4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.242 13.896 2.927 1.00 0.00 H new ATOM 1568 N LEU A 100 4.754 14.669 1.682 1.00 0.00 N ATOM 1569 CA LEU A 100 3.361 14.995 1.347 1.00 0.00 C ATOM 1570 C LEU A 100 2.664 15.684 2.514 1.00 0.00 C ATOM 1571 O LEU A 100 2.359 16.875 2.443 1.00 0.00 O ATOM 1572 CB LEU A 100 2.558 13.750 0.949 1.00 0.00 C ATOM 1573 CG LEU A 100 3.004 13.058 -0.338 1.00 0.00 C ATOM 1574 CD1 LEU A 100 2.096 11.881 -0.642 1.00 0.00 C ATOM 1575 CD2 LEU A 100 3.003 14.036 -1.501 1.00 0.00 C ATOM 0 H LEU A 100 5.441 15.165 1.114 1.00 0.00 H new ATOM 0 HA LEU A 100 3.399 15.671 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.612 13.029 1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.511 14.034 0.843 1.00 0.00 H new ATOM 0 HG LEU A 100 4.021 12.692 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.424 11.396 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.139 11.167 0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.072 12.233 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.324 13.523 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.997 14.431 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.688 14.857 -1.287 1.00 0.00 H new ATOM 1587 N LYS A 101 2.425 14.916 3.579 1.00 0.00 N ATOM 1588 CA LYS A 101 1.715 15.384 4.766 1.00 0.00 C ATOM 1589 C LYS A 101 0.239 15.603 4.463 1.00 0.00 C ATOM 1590 O LYS A 101 -0.141 15.918 3.335 1.00 0.00 O ATOM 1591 CB LYS A 101 2.327 16.676 5.310 1.00 0.00 C ATOM 1592 CG LYS A 101 3.785 16.554 5.718 1.00 0.00 C ATOM 1593 CD LYS A 101 3.964 15.587 6.872 1.00 0.00 C ATOM 1594 CE LYS A 101 5.390 15.609 7.385 1.00 0.00 C ATOM 1595 NZ LYS A 101 5.590 14.662 8.511 1.00 0.00 N ATOM 0 H LYS A 101 2.723 13.942 3.640 1.00 0.00 H new ATOM 0 HA LYS A 101 1.811 14.610 5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.238 17.454 4.552 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.747 17.004 6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.375 16.217 4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.167 17.535 6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.280 15.848 7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.706 14.578 6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.072 15.356 6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.643 16.618 7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.578 14.708 8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.958 14.918 9.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.374 13.695 8.194 1.00 0.00 H new ATOM 1609 N TYR A 102 -0.590 15.405 5.470 1.00 0.00 N ATOM 1610 CA TYR A 102 -2.006 15.700 5.352 1.00 0.00 C ATOM 1611 C TYR A 102 -2.235 17.202 5.355 1.00 0.00 C ATOM 1612 O TYR A 102 -2.972 17.731 4.522 1.00 0.00 O ATOM 1613 CB TYR A 102 -2.783 15.066 6.500 1.00 0.00 C ATOM 1614 CG TYR A 102 -3.052 13.594 6.325 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -4.077 13.155 5.499 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -2.296 12.647 6.996 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -4.340 11.809 5.345 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -2.554 11.302 6.853 1.00 0.00 C ATOM 1619 CZ TYR A 102 -3.575 10.886 6.027 1.00 0.00 C ATOM 1620 OH TYR A 102 -3.847 9.546 5.908 1.00 0.00 O ATOM 0 H TYR A 102 -0.308 15.041 6.380 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.361 15.284 4.409 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.227 15.215 7.426 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.734 15.587 6.612 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.678 13.878 4.968 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.492 12.968 7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.138 11.481 4.696 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.958 10.576 7.386 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.740 9.426 5.521 1.00 0.00 H new