USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=28 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 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 95 SER OG : rot 180:sc= -0.309 USER MOD Set 2.1: A 48 THR OG1 : rot 150:sc= -1.54! USER MOD Set 2.2: A 53 ASN : amide:sc= -0.113! K(o=-1.7!,f=-3.7) USER MOD Single : A 15 LYS NZ :NH3+ 179:sc= 0.175 (180deg=0.175) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 20:sc= 0.766 USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= -0.862! (180deg=-2.31!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -2.12! C(o=-4.3!,f=-2.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00481 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.25) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 144:sc= -0.0689 (180deg=-0.323) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0.733 USER MOD Single : A 62 THR OG1 : rot -26:sc= 1.2 USER MOD Single : A 63 LYS NZ :NH3+ -131:sc= -0.519 (180deg=-2.36!) USER MOD Single : A 67 THR OG1 : rot -91:sc= 0.068 USER MOD Single : A 68 LYS NZ :NH3+ 171:sc=-0.000566 (180deg=-0.0702) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -138:sc= -0.481 USER MOD Single : A 77 MET CE :methyl -112:sc= -0.362 (180deg=-1.62) USER MOD Single : A 78 SER OG : rot 64:sc= 1.02 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 173:sc= -2.46 (180deg=-2.68) USER MOD Single : A 84 MET CE :methyl 163:sc= -3.19 (180deg=-4.54!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -177:sc= -0.0026 (180deg=-0.0229) USER MOD Single : A 92 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0463) USER MOD Single : A 96 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot -15:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 7 2.852 1.549 14.047 1.00 0.00 N ATOM 84 CA PRO A 7 4.000 2.011 13.303 1.00 0.00 C ATOM 85 C PRO A 7 3.868 1.685 11.825 1.00 0.00 C ATOM 86 O PRO A 7 4.010 0.530 11.419 1.00 0.00 O ATOM 87 CB PRO A 7 5.139 1.205 13.934 1.00 0.00 C ATOM 88 CG PRO A 7 4.490 -0.006 14.550 1.00 0.00 C ATOM 89 CD PRO A 7 2.999 0.134 14.352 1.00 0.00 C ATOM 0 HA PRO A 7 4.141 3.091 13.349 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.876 0.916 13.184 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.664 1.793 14.687 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.856 -0.919 14.080 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.732 -0.074 15.611 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.637 -0.496 13.539 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.443 -0.148 15.246 1.00 0.00 H new ATOM 97 N GLY A 8 3.580 2.687 11.017 1.00 0.00 N ATOM 98 CA GLY A 8 3.427 2.430 9.612 1.00 0.00 C ATOM 99 C GLY A 8 4.737 2.576 8.870 1.00 0.00 C ATOM 100 O GLY A 8 4.988 1.880 7.889 1.00 0.00 O ATOM 0 H GLY A 8 3.452 3.657 11.305 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.037 1.423 9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.693 3.119 9.194 1.00 0.00 H new ATOM 104 N ALA A 9 5.574 3.489 9.356 1.00 0.00 N ATOM 105 CA ALA A 9 6.853 3.790 8.731 1.00 0.00 C ATOM 106 C ALA A 9 7.721 4.605 9.676 1.00 0.00 C ATOM 107 O ALA A 9 8.587 4.064 10.364 1.00 0.00 O ATOM 108 CB ALA A 9 6.648 4.540 7.424 1.00 0.00 C ATOM 0 H ALA A 9 5.382 4.039 10.193 1.00 0.00 H new ATOM 0 HA ALA A 9 7.359 2.850 8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.616 4.756 6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.058 3.928 6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.123 5.475 7.619 1.00 0.00 H new ATOM 114 N ASP A 10 7.466 5.911 9.707 1.00 0.00 N ATOM 115 CA ASP A 10 8.151 6.827 10.616 1.00 0.00 C ATOM 116 C ASP A 10 7.576 8.228 10.467 1.00 0.00 C ATOM 117 O ASP A 10 7.244 8.881 11.451 1.00 0.00 O ATOM 118 CB ASP A 10 9.660 6.859 10.352 1.00 0.00 C ATOM 119 CG ASP A 10 10.397 7.749 11.334 1.00 0.00 C ATOM 120 OD1 ASP A 10 10.526 7.361 12.515 1.00 0.00 O ATOM 121 OD2 ASP A 10 10.855 8.836 10.930 1.00 0.00 O ATOM 0 H ASP A 10 6.780 6.364 9.103 1.00 0.00 H new ATOM 0 HA ASP A 10 7.994 6.468 11.633 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.059 5.846 10.413 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.842 7.213 9.337 1.00 0.00 H new ATOM 126 N CYS A 11 7.430 8.663 9.219 1.00 0.00 N ATOM 127 CA CYS A 11 6.910 9.994 8.911 1.00 0.00 C ATOM 128 C CYS A 11 5.442 10.156 9.322 1.00 0.00 C ATOM 129 O CYS A 11 5.157 10.537 10.453 1.00 0.00 O ATOM 130 CB CYS A 11 7.079 10.272 7.423 1.00 0.00 C ATOM 131 SG CYS A 11 6.515 8.896 6.367 1.00 0.00 S ATOM 0 H CYS A 11 7.667 8.108 8.397 1.00 0.00 H new ATOM 0 HA CYS A 11 7.482 10.719 9.491 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.523 11.173 7.163 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.130 10.474 7.215 1.00 0.00 H new ATOM 136 N GLU A 12 4.508 9.847 8.413 1.00 0.00 N ATOM 137 CA GLU A 12 3.084 10.027 8.701 1.00 0.00 C ATOM 138 C GLU A 12 2.193 9.441 7.600 1.00 0.00 C ATOM 139 O GLU A 12 1.712 8.330 7.730 1.00 0.00 O ATOM 140 CB GLU A 12 2.772 11.517 8.890 1.00 0.00 C ATOM 141 CG GLU A 12 1.302 11.832 9.111 1.00 0.00 C ATOM 142 CD GLU A 12 1.027 13.320 9.078 1.00 0.00 C ATOM 143 OE1 GLU A 12 1.125 13.971 10.139 1.00 0.00 O ATOM 144 OE2 GLU A 12 0.722 13.850 7.989 1.00 0.00 O ATOM 0 H GLU A 12 4.711 9.476 7.485 1.00 0.00 H new ATOM 0 HA GLU A 12 2.865 9.485 9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.342 11.889 9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.119 12.062 8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.706 11.337 8.344 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.985 11.427 10.072 1.00 0.00 H new ATOM 151 N VAL A 13 1.988 10.177 6.512 1.00 0.00 N ATOM 152 CA VAL A 13 1.030 9.762 5.482 1.00 0.00 C ATOM 153 C VAL A 13 1.360 8.375 4.938 1.00 0.00 C ATOM 154 O VAL A 13 0.481 7.525 4.801 1.00 0.00 O ATOM 155 CB VAL A 13 0.968 10.766 4.316 1.00 0.00 C ATOM 156 CG1 VAL A 13 -0.128 10.388 3.331 1.00 0.00 C ATOM 157 CG2 VAL A 13 0.740 12.168 4.842 1.00 0.00 C ATOM 0 H VAL A 13 2.466 11.057 6.318 1.00 0.00 H new ATOM 0 HA VAL A 13 0.054 9.731 5.966 1.00 0.00 H new ATOM 0 HB VAL A 13 1.923 10.737 3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.151 11.112 2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.072 9.395 2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.091 10.385 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.698 12.868 4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.201 12.202 5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.558 12.445 5.507 1.00 0.00 H new ATOM 167 N CYS A 14 2.632 8.146 4.653 1.00 0.00 N ATOM 168 CA CYS A 14 3.076 6.847 4.174 1.00 0.00 C ATOM 169 C CYS A 14 2.873 5.773 5.245 1.00 0.00 C ATOM 170 O CYS A 14 2.517 4.635 4.935 1.00 0.00 O ATOM 171 CB CYS A 14 4.545 6.915 3.752 1.00 0.00 C ATOM 172 SG CYS A 14 5.224 5.340 3.148 1.00 0.00 S ATOM 0 H CYS A 14 3.373 8.841 4.745 1.00 0.00 H new ATOM 0 HA CYS A 14 2.475 6.575 3.306 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.652 7.667 2.970 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.140 7.252 4.601 1.00 0.00 H new ATOM 177 N LYS A 15 3.060 6.146 6.515 1.00 0.00 N ATOM 178 CA LYS A 15 2.916 5.185 7.601 1.00 0.00 C ATOM 179 C LYS A 15 1.445 4.840 7.790 1.00 0.00 C ATOM 180 O LYS A 15 1.091 3.694 8.064 1.00 0.00 O ATOM 181 CB LYS A 15 3.511 5.713 8.929 1.00 0.00 C ATOM 182 CG LYS A 15 2.561 6.569 9.759 1.00 0.00 C ATOM 183 CD LYS A 15 3.019 6.734 11.200 1.00 0.00 C ATOM 184 CE LYS A 15 4.347 7.458 11.299 1.00 0.00 C ATOM 185 NZ LYS A 15 4.648 7.865 12.697 1.00 0.00 N ATOM 0 H LYS A 15 3.307 7.091 6.808 1.00 0.00 H new ATOM 0 HA LYS A 15 3.474 4.290 7.327 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.831 4.863 9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.403 6.298 8.704 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.469 7.552 9.298 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.569 6.117 9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.263 7.286 11.759 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.106 5.753 11.666 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.143 6.811 10.929 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.329 8.340 10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.571 8.342 12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.910 8.515 13.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.673 7.022 13.306 1.00 0.00 H new ATOM 199 N GLU A 16 0.603 5.849 7.631 1.00 0.00 N ATOM 200 CA GLU A 16 -0.833 5.689 7.752 1.00 0.00 C ATOM 201 C GLU A 16 -1.335 4.668 6.752 1.00 0.00 C ATOM 202 O GLU A 16 -2.017 3.719 7.118 1.00 0.00 O ATOM 203 CB GLU A 16 -1.535 7.029 7.523 1.00 0.00 C ATOM 204 CG GLU A 16 -1.318 8.035 8.640 1.00 0.00 C ATOM 205 CD GLU A 16 -1.896 7.564 9.955 1.00 0.00 C ATOM 206 OE1 GLU A 16 -2.900 6.827 9.929 1.00 0.00 O ATOM 207 OE2 GLU A 16 -1.359 7.933 11.021 1.00 0.00 O ATOM 0 H GLU A 16 0.898 6.801 7.414 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.059 5.337 8.759 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.180 7.459 6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.605 6.853 7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.250 8.218 8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.775 8.985 8.364 1.00 0.00 H new ATOM 214 N PHE A 17 -0.958 4.858 5.496 1.00 0.00 N ATOM 215 CA PHE A 17 -1.434 4.005 4.421 1.00 0.00 C ATOM 216 C PHE A 17 -0.991 2.555 4.616 1.00 0.00 C ATOM 217 O PHE A 17 -1.830 1.657 4.652 1.00 0.00 O ATOM 218 CB PHE A 17 -0.940 4.526 3.069 1.00 0.00 C ATOM 219 CG PHE A 17 -1.440 3.730 1.896 1.00 0.00 C ATOM 220 CD1 PHE A 17 -0.760 2.602 1.466 1.00 0.00 C ATOM 221 CD2 PHE A 17 -2.594 4.106 1.226 1.00 0.00 C ATOM 222 CE1 PHE A 17 -1.219 1.865 0.394 1.00 0.00 C ATOM 223 CE2 PHE A 17 -3.057 3.372 0.151 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.368 2.249 -0.263 1.00 0.00 C ATOM 0 H PHE A 17 -0.322 5.598 5.198 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.524 4.029 4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.253 5.564 2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.150 4.520 3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.141 2.296 1.977 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.137 4.982 1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.678 0.988 0.070 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.956 3.676 -0.365 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.729 1.672 -1.101 1.00 0.00 H new ATOM 234 N LEU A 18 0.316 2.330 4.754 1.00 0.00 N ATOM 235 CA LEU A 18 0.850 0.969 4.830 1.00 0.00 C ATOM 236 C LEU A 18 0.269 0.207 6.012 1.00 0.00 C ATOM 237 O LEU A 18 -0.108 -0.957 5.883 1.00 0.00 O ATOM 238 CB LEU A 18 2.380 0.979 4.924 1.00 0.00 C ATOM 239 CG LEU A 18 3.111 1.429 3.659 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.586 1.631 3.952 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.938 0.404 2.549 1.00 0.00 C ATOM 0 H LEU A 18 1.020 3.066 4.815 1.00 0.00 H new ATOM 0 HA LEU A 18 0.556 0.460 3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.673 1.634 5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.718 -0.025 5.181 1.00 0.00 H new ATOM 0 HG LEU A 18 2.681 2.375 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.097 1.951 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.703 2.393 4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.019 0.694 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.465 0.742 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.347 -0.554 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.878 0.289 2.322 1.00 0.00 H new ATOM 253 N ASN A 19 0.181 0.867 7.156 1.00 0.00 N ATOM 254 CA ASN A 19 -0.289 0.208 8.362 1.00 0.00 C ATOM 255 C ASN A 19 -1.799 0.002 8.315 1.00 0.00 C ATOM 256 O ASN A 19 -2.293 -1.072 8.664 1.00 0.00 O ATOM 257 CB ASN A 19 0.102 1.004 9.604 1.00 0.00 C ATOM 258 CG ASN A 19 -0.093 0.204 10.874 1.00 0.00 C ATOM 259 OD1 ASN A 19 -1.149 0.256 11.501 1.00 0.00 O ATOM 260 ND2 ASN A 19 0.923 -0.561 11.249 1.00 0.00 N ATOM 0 H ASN A 19 0.427 1.850 7.274 1.00 0.00 H new ATOM 0 HA ASN A 19 0.189 -0.770 8.417 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.145 1.310 9.525 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.495 1.915 9.654 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.846 -1.137 12.088 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.782 -0.574 10.699 1.00 0.00 H new ATOM 267 N ARG A 20 -2.527 1.035 7.883 1.00 0.00 N ATOM 268 CA ARG A 20 -3.971 0.939 7.691 1.00 0.00 C ATOM 269 C ARG A 20 -4.300 -0.216 6.758 1.00 0.00 C ATOM 270 O ARG A 20 -5.127 -1.071 7.068 1.00 0.00 O ATOM 271 CB ARG A 20 -4.508 2.224 7.070 1.00 0.00 C ATOM 272 CG ARG A 20 -5.934 2.548 7.459 1.00 0.00 C ATOM 273 CD ARG A 20 -5.972 3.294 8.778 1.00 0.00 C ATOM 274 NE ARG A 20 -5.186 4.530 8.722 1.00 0.00 N ATOM 275 CZ ARG A 20 -5.592 5.656 8.126 1.00 0.00 C ATOM 276 NH1 ARG A 20 -6.731 5.689 7.442 1.00 0.00 N ATOM 277 NH2 ARG A 20 -4.849 6.747 8.211 1.00 0.00 N ATOM 0 H ARG A 20 -2.135 1.950 7.660 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.432 0.776 8.665 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.865 3.054 7.364 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.448 2.143 5.985 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.401 3.151 6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.513 1.628 7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.005 3.530 9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.587 2.653 9.571 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.268 4.531 9.167 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.306 4.850 7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.031 6.554 6.992 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.971 6.727 8.729 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.154 7.608 7.758 1.00 0.00 H new ATOM 291 N PHE A 21 -3.630 -0.224 5.615 1.00 0.00 N ATOM 292 CA PHE A 21 -3.854 -1.224 4.586 1.00 0.00 C ATOM 293 C PHE A 21 -3.581 -2.623 5.127 1.00 0.00 C ATOM 294 O PHE A 21 -4.351 -3.552 4.880 1.00 0.00 O ATOM 295 CB PHE A 21 -2.954 -0.917 3.388 1.00 0.00 C ATOM 296 CG PHE A 21 -3.183 -1.797 2.202 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.444 -1.936 1.660 1.00 0.00 C ATOM 298 CD2 PHE A 21 -2.129 -2.470 1.620 1.00 0.00 C ATOM 299 CE1 PHE A 21 -4.650 -2.734 0.555 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.327 -3.272 0.517 1.00 0.00 C ATOM 301 CZ PHE A 21 -3.588 -3.405 -0.014 1.00 0.00 C ATOM 0 H PHE A 21 -2.916 0.464 5.376 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.896 -1.192 4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.107 0.120 3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.913 -1.009 3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.278 -1.414 2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.137 -2.367 2.034 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.640 -2.833 0.136 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.494 -3.795 0.071 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.747 -4.035 -0.877 1.00 0.00 H new ATOM 311 N TYR A 22 -2.498 -2.750 5.888 1.00 0.00 N ATOM 312 CA TYR A 22 -2.116 -4.017 6.503 1.00 0.00 C ATOM 313 C TYR A 22 -3.264 -4.618 7.303 1.00 0.00 C ATOM 314 O TYR A 22 -3.709 -5.736 7.043 1.00 0.00 O ATOM 315 CB TYR A 22 -0.938 -3.793 7.448 1.00 0.00 C ATOM 316 CG TYR A 22 0.322 -4.518 7.054 1.00 0.00 C ATOM 317 CD1 TYR A 22 0.496 -5.862 7.353 1.00 0.00 C ATOM 318 CD2 TYR A 22 1.345 -3.853 6.401 1.00 0.00 C ATOM 319 CE1 TYR A 22 1.658 -6.522 7.010 1.00 0.00 C ATOM 320 CE2 TYR A 22 2.506 -4.505 6.051 1.00 0.00 C ATOM 321 CZ TYR A 22 2.661 -5.839 6.359 1.00 0.00 C ATOM 322 OH TYR A 22 3.826 -6.489 6.017 1.00 0.00 O ATOM 0 H TYR A 22 -1.862 -1.980 6.095 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.845 -4.705 5.702 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.727 -2.725 7.499 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.227 -4.110 8.450 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.290 -6.400 7.862 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.231 -2.806 6.162 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.780 -7.568 7.251 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.293 -3.973 5.537 1.00 0.00 H new ATOM 0 HH TYR A 22 3.671 -7.457 6.010 1.00 0.00 H new ATOM 332 N LYS A 23 -3.759 -3.848 8.259 1.00 0.00 N ATOM 333 CA LYS A 23 -4.762 -4.344 9.186 1.00 0.00 C ATOM 334 C LYS A 23 -6.138 -4.419 8.541 1.00 0.00 C ATOM 335 O LYS A 23 -6.929 -5.286 8.880 1.00 0.00 O ATOM 336 CB LYS A 23 -4.785 -3.496 10.469 1.00 0.00 C ATOM 337 CG LYS A 23 -4.818 -1.986 10.249 1.00 0.00 C ATOM 338 CD LYS A 23 -6.219 -1.454 9.965 1.00 0.00 C ATOM 339 CE LYS A 23 -7.052 -1.310 11.232 1.00 0.00 C ATOM 340 NZ LYS A 23 -7.469 -2.618 11.805 1.00 0.00 N ATOM 0 H LYS A 23 -3.483 -2.878 8.413 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.486 -5.362 9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.657 -3.780 11.058 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.905 -3.741 11.064 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.418 -1.487 11.132 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.163 -1.732 9.416 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.144 -0.486 9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.727 -2.126 9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.478 -0.760 11.977 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.939 -0.717 11.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.343 -2.494 12.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.637 -3.297 11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.718 -2.980 12.427 1.00 0.00 H new ATOM 354 N SER A 24 -6.407 -3.528 7.600 1.00 0.00 N ATOM 355 CA SER A 24 -7.698 -3.511 6.920 1.00 0.00 C ATOM 356 C SER A 24 -7.849 -4.749 6.040 1.00 0.00 C ATOM 357 O SER A 24 -8.934 -5.321 5.933 1.00 0.00 O ATOM 358 CB SER A 24 -7.849 -2.234 6.089 1.00 0.00 C ATOM 359 OG SER A 24 -9.210 -1.968 5.802 1.00 0.00 O ATOM 0 H SER A 24 -5.754 -2.809 7.289 1.00 0.00 H new ATOM 0 HA SER A 24 -8.488 -3.524 7.671 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.417 -1.392 6.630 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.291 -2.335 5.158 1.00 0.00 H new ATOM 0 HG SER A 24 -9.278 -1.147 5.272 1.00 0.00 H new ATOM 365 N LEU A 25 -6.749 -5.166 5.430 1.00 0.00 N ATOM 366 CA LEU A 25 -6.728 -6.382 4.631 1.00 0.00 C ATOM 367 C LEU A 25 -6.927 -7.602 5.516 1.00 0.00 C ATOM 368 O LEU A 25 -7.689 -8.506 5.176 1.00 0.00 O ATOM 369 CB LEU A 25 -5.415 -6.471 3.862 1.00 0.00 C ATOM 370 CG LEU A 25 -5.566 -6.309 2.353 1.00 0.00 C ATOM 371 CD1 LEU A 25 -6.477 -5.134 2.032 1.00 0.00 C ATOM 372 CD2 LEU A 25 -4.205 -6.147 1.701 1.00 0.00 C ATOM 0 H LEU A 25 -5.855 -4.677 5.474 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.548 -6.353 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.736 -5.703 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.950 -7.435 4.069 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.028 -7.209 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.573 -5.033 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.460 -5.306 2.470 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.051 -4.220 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.329 -6.032 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.711 -5.264 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.597 -7.028 1.905 1.00 0.00 H new ATOM 384 N ILE A 26 -6.257 -7.613 6.664 1.00 0.00 N ATOM 385 CA ILE A 26 -6.444 -8.681 7.637 1.00 0.00 C ATOM 386 C ILE A 26 -7.880 -8.669 8.160 1.00 0.00 C ATOM 387 O ILE A 26 -8.515 -9.718 8.279 1.00 0.00 O ATOM 388 CB ILE A 26 -5.456 -8.561 8.822 1.00 0.00 C ATOM 389 CG1 ILE A 26 -4.007 -8.543 8.320 1.00 0.00 C ATOM 390 CG2 ILE A 26 -5.657 -9.706 9.810 1.00 0.00 C ATOM 391 CD1 ILE A 26 -3.613 -9.773 7.527 1.00 0.00 C ATOM 0 H ILE A 26 -5.584 -6.899 6.941 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.245 -9.625 7.130 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.657 -7.621 9.335 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.860 -7.660 7.698 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.338 -8.445 9.175 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.952 -9.602 10.635 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.676 -9.678 10.197 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.487 -10.657 9.305 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.575 -9.683 7.208 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.726 -10.660 8.151 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.255 -9.862 6.651 1.00 0.00 H new ATOM 403 N ASP A 27 -8.392 -7.472 8.455 1.00 0.00 N ATOM 404 CA ASP A 27 -9.775 -7.304 8.905 1.00 0.00 C ATOM 405 C ASP A 27 -10.743 -7.902 7.903 1.00 0.00 C ATOM 406 O ASP A 27 -11.558 -8.761 8.241 1.00 0.00 O ATOM 407 CB ASP A 27 -10.128 -5.822 9.084 1.00 0.00 C ATOM 408 CG ASP A 27 -9.612 -5.216 10.375 1.00 0.00 C ATOM 409 OD1 ASP A 27 -9.762 -5.849 11.443 1.00 0.00 O ATOM 410 OD2 ASP A 27 -9.080 -4.084 10.333 1.00 0.00 O ATOM 0 H ASP A 27 -7.866 -6.601 8.390 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.861 -7.818 9.862 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.723 -5.259 8.243 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.212 -5.711 9.050 1.00 0.00 H new ATOM 415 N ARG A 28 -10.634 -7.445 6.664 1.00 0.00 N ATOM 416 CA ARG A 28 -11.521 -7.884 5.597 1.00 0.00 C ATOM 417 C ARG A 28 -11.318 -9.362 5.248 1.00 0.00 C ATOM 418 O ARG A 28 -12.178 -9.981 4.623 1.00 0.00 O ATOM 419 CB ARG A 28 -11.337 -7.018 4.348 1.00 0.00 C ATOM 420 CG ARG A 28 -11.817 -5.588 4.511 1.00 0.00 C ATOM 421 CD ARG A 28 -12.142 -4.944 3.169 1.00 0.00 C ATOM 422 NE ARG A 28 -10.983 -4.807 2.285 1.00 0.00 N ATOM 423 CZ ARG A 28 -10.536 -3.637 1.825 1.00 0.00 C ATOM 424 NH1 ARG A 28 -10.997 -2.497 2.330 1.00 0.00 N ATOM 425 NH2 ARG A 28 -9.614 -3.602 0.873 1.00 0.00 N ATOM 0 H ARG A 28 -9.933 -6.764 6.371 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.541 -7.769 5.964 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.281 -7.007 4.079 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.873 -7.478 3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.703 -5.572 5.146 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.050 -5.003 5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.903 -5.540 2.665 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.573 -3.958 3.344 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.489 -5.654 2.005 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.696 -2.514 3.073 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.652 -1.605 1.975 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.244 -4.472 0.489 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.275 -2.705 0.524 1.00 0.00 H new ATOM 439 N GLY A 29 -10.187 -9.922 5.665 1.00 0.00 N ATOM 440 CA GLY A 29 -9.904 -11.321 5.395 1.00 0.00 C ATOM 441 C GLY A 29 -9.361 -11.519 3.998 1.00 0.00 C ATOM 442 O GLY A 29 -9.573 -12.558 3.372 1.00 0.00 O ATOM 0 H GLY A 29 -9.460 -9.432 6.186 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.183 -11.694 6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.814 -11.908 5.519 1.00 0.00 H new ATOM 446 N VAL A 30 -8.647 -10.514 3.527 1.00 0.00 N ATOM 447 CA VAL A 30 -8.135 -10.482 2.173 1.00 0.00 C ATOM 448 C VAL A 30 -6.650 -10.119 2.182 1.00 0.00 C ATOM 449 O VAL A 30 -6.288 -8.969 2.358 1.00 0.00 O ATOM 450 CB VAL A 30 -8.954 -9.474 1.319 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.377 -8.281 2.154 1.00 0.00 C ATOM 452 CG2 VAL A 30 -8.174 -8.978 0.126 1.00 0.00 C ATOM 0 H VAL A 30 -8.405 -9.691 4.079 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.239 -11.470 1.725 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.833 -10.011 0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.949 -7.589 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.995 -8.620 2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.492 -7.776 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.785 -8.276 -0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.268 -8.477 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.905 -9.822 -0.509 1.00 0.00 H new ATOM 462 N ASN A 31 -5.791 -11.117 2.044 1.00 0.00 N ATOM 463 CA ASN A 31 -4.350 -10.893 2.029 1.00 0.00 C ATOM 464 C ASN A 31 -3.629 -12.164 1.583 1.00 0.00 C ATOM 465 O ASN A 31 -4.278 -13.105 1.113 1.00 0.00 O ATOM 466 CB ASN A 31 -3.888 -10.481 3.428 1.00 0.00 C ATOM 467 CG ASN A 31 -2.515 -9.818 3.453 1.00 0.00 C ATOM 468 OD1 ASN A 31 -2.165 -9.080 2.401 1.00 0.00 O flip ATOM 469 ND2 ASN A 31 -1.771 -9.970 4.418 1.00 0.00 N flip ATOM 0 H ASN A 31 -6.066 -12.094 1.940 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.112 -10.096 1.325 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.620 -9.795 3.855 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.867 -11.363 4.068 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.070 -10.542 5.208 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.854 -9.524 4.430 1.00 0.00 H new ATOM 476 N PHE A 32 -2.297 -12.166 1.709 1.00 0.00 N ATOM 477 CA PHE A 32 -1.449 -13.326 1.402 1.00 0.00 C ATOM 478 C PHE A 32 -1.322 -13.546 -0.109 1.00 0.00 C ATOM 479 O PHE A 32 -0.219 -13.703 -0.628 1.00 0.00 O ATOM 480 CB PHE A 32 -1.980 -14.587 2.095 1.00 0.00 C ATOM 481 CG PHE A 32 -0.981 -15.704 2.182 1.00 0.00 C ATOM 482 CD1 PHE A 32 -0.054 -15.736 3.211 1.00 0.00 C ATOM 483 CD2 PHE A 32 -0.968 -16.720 1.241 1.00 0.00 C ATOM 484 CE1 PHE A 32 0.867 -16.762 3.302 1.00 0.00 C ATOM 485 CE2 PHE A 32 -0.049 -17.749 1.326 1.00 0.00 C ATOM 486 CZ PHE A 32 0.870 -17.769 2.357 1.00 0.00 C ATOM 0 H PHE A 32 -1.771 -11.354 2.031 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.451 -13.117 1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.306 -14.326 3.102 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.860 -14.941 1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.051 -14.949 3.951 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.684 -16.708 0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.583 -16.776 4.110 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.050 -18.537 0.587 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.590 -18.571 2.424 1.00 0.00 H new ATOM 496 N SER A 33 -2.452 -13.557 -0.800 1.00 0.00 N ATOM 497 CA SER A 33 -2.478 -13.711 -2.246 1.00 0.00 C ATOM 498 C SER A 33 -1.854 -12.490 -2.921 1.00 0.00 C ATOM 499 O SER A 33 -2.383 -11.380 -2.837 1.00 0.00 O ATOM 500 CB SER A 33 -3.923 -13.877 -2.711 1.00 0.00 C ATOM 501 OG SER A 33 -4.635 -14.767 -1.866 1.00 0.00 O ATOM 0 H SER A 33 -3.374 -13.460 -0.375 1.00 0.00 H new ATOM 0 HA SER A 33 -1.901 -14.594 -2.521 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.418 -12.906 -2.721 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.938 -14.253 -3.734 1.00 0.00 H new ATOM 0 HG SER A 33 -5.557 -14.854 -2.185 1.00 0.00 H new ATOM 507 N LEU A 34 -0.731 -12.719 -3.595 1.00 0.00 N ATOM 508 CA LEU A 34 0.032 -11.654 -4.245 1.00 0.00 C ATOM 509 C LEU A 34 -0.800 -10.902 -5.268 1.00 0.00 C ATOM 510 O LEU A 34 -0.778 -9.672 -5.311 1.00 0.00 O ATOM 511 CB LEU A 34 1.279 -12.222 -4.926 1.00 0.00 C ATOM 512 CG LEU A 34 2.485 -12.448 -4.014 1.00 0.00 C ATOM 513 CD1 LEU A 34 2.809 -11.184 -3.253 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.253 -13.595 -3.047 1.00 0.00 C ATOM 0 H LEU A 34 -0.323 -13.647 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 34 0.327 -10.954 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.016 -13.171 -5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.574 -11.544 -5.727 1.00 0.00 H new ATOM 0 HG LEU A 34 3.331 -12.715 -4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.670 -11.359 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.040 -10.384 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.952 -10.896 -2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.133 -13.723 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.388 -13.374 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.071 -14.512 -3.607 1.00 0.00 H new ATOM 526 N ASP A 35 -1.530 -11.644 -6.084 1.00 0.00 N ATOM 527 CA ASP A 35 -2.360 -11.051 -7.125 1.00 0.00 C ATOM 528 C ASP A 35 -3.462 -10.199 -6.506 1.00 0.00 C ATOM 529 O ASP A 35 -3.917 -9.220 -7.093 1.00 0.00 O ATOM 530 CB ASP A 35 -2.970 -12.150 -7.996 1.00 0.00 C ATOM 531 CG ASP A 35 -3.804 -11.597 -9.132 1.00 0.00 C ATOM 532 OD1 ASP A 35 -3.217 -11.132 -10.133 1.00 0.00 O ATOM 533 OD2 ASP A 35 -5.048 -11.640 -9.037 1.00 0.00 O ATOM 0 H ASP A 35 -1.566 -12.663 -6.047 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.735 -10.410 -7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.172 -12.770 -8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.591 -12.797 -7.376 1.00 0.00 H new ATOM 538 N THR A 36 -3.865 -10.569 -5.302 1.00 0.00 N ATOM 539 CA THR A 36 -4.934 -9.881 -4.605 1.00 0.00 C ATOM 540 C THR A 36 -4.441 -8.598 -3.955 1.00 0.00 C ATOM 541 O THR A 36 -5.080 -7.551 -4.077 1.00 0.00 O ATOM 542 CB THR A 36 -5.564 -10.802 -3.542 1.00 0.00 C ATOM 543 OG1 THR A 36 -6.146 -11.950 -4.175 1.00 0.00 O ATOM 544 CG2 THR A 36 -6.612 -10.072 -2.721 1.00 0.00 C ATOM 0 H THR A 36 -3.462 -11.350 -4.784 1.00 0.00 H new ATOM 0 HA THR A 36 -5.691 -9.616 -5.343 1.00 0.00 H new ATOM 0 HB THR A 36 -4.774 -11.122 -2.863 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.543 -12.533 -3.494 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.034 -10.753 -1.982 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.151 -9.225 -2.213 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.404 -9.713 -3.378 1.00 0.00 H new ATOM 552 N ILE A 37 -3.299 -8.672 -3.285 1.00 0.00 N ATOM 553 CA ILE A 37 -2.722 -7.495 -2.651 1.00 0.00 C ATOM 554 C ILE A 37 -2.441 -6.435 -3.712 1.00 0.00 C ATOM 555 O ILE A 37 -2.472 -5.238 -3.438 1.00 0.00 O ATOM 556 CB ILE A 37 -1.417 -7.828 -1.893 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.622 -9.037 -0.977 1.00 0.00 C ATOM 558 CG2 ILE A 37 -0.958 -6.627 -1.072 1.00 0.00 C ATOM 559 CD1 ILE A 37 -0.346 -9.524 -0.327 1.00 0.00 C ATOM 0 H ILE A 37 -2.757 -9.528 -3.167 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.441 -7.121 -1.923 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.648 -8.070 -2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.340 -8.776 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.060 -9.851 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.038 -6.877 -0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.777 -5.781 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.731 -6.363 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.566 -10.382 0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.367 -9.816 -1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.082 -8.725 0.278 1.00 0.00 H new ATOM 571 N GLU A 38 -2.197 -6.899 -4.935 1.00 0.00 N ATOM 572 CA GLU A 38 -1.969 -6.013 -6.064 1.00 0.00 C ATOM 573 C GLU A 38 -3.216 -5.187 -6.364 1.00 0.00 C ATOM 574 O GLU A 38 -3.128 -3.986 -6.615 1.00 0.00 O ATOM 575 CB GLU A 38 -1.533 -6.826 -7.290 1.00 0.00 C ATOM 576 CG GLU A 38 -1.216 -5.993 -8.527 1.00 0.00 C ATOM 577 CD GLU A 38 -2.353 -5.974 -9.532 1.00 0.00 C ATOM 578 OE1 GLU A 38 -2.655 -7.042 -10.106 1.00 0.00 O ATOM 579 OE2 GLU A 38 -2.942 -4.896 -9.764 1.00 0.00 O ATOM 0 H GLU A 38 -2.153 -7.891 -5.166 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.168 -5.319 -5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.651 -7.411 -7.027 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.323 -7.535 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.989 -4.971 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.321 -6.389 -9.006 1.00 0.00 H new ATOM 586 N LYS A 39 -4.377 -5.825 -6.299 1.00 0.00 N ATOM 587 CA LYS A 39 -5.633 -5.141 -6.583 1.00 0.00 C ATOM 588 C LYS A 39 -5.999 -4.227 -5.427 1.00 0.00 C ATOM 589 O LYS A 39 -6.364 -3.068 -5.611 1.00 0.00 O ATOM 590 CB LYS A 39 -6.778 -6.142 -6.805 1.00 0.00 C ATOM 591 CG LYS A 39 -6.445 -7.313 -7.723 1.00 0.00 C ATOM 592 CD LYS A 39 -5.668 -6.878 -8.953 1.00 0.00 C ATOM 593 CE LYS A 39 -6.338 -5.727 -9.679 1.00 0.00 C ATOM 594 NZ LYS A 39 -5.469 -5.194 -10.757 1.00 0.00 N ATOM 0 H LYS A 39 -4.476 -6.810 -6.054 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.493 -4.559 -7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.088 -6.536 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.632 -5.607 -7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.863 -8.051 -7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.368 -7.802 -8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.661 -6.582 -8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.565 -7.723 -9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.284 -6.063 -10.104 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.571 -4.933 -8.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.946 -4.397 -11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.570 -4.868 -10.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.282 -5.943 -11.454 1.00 0.00 H new ATOM 608 N GLU A 40 -5.868 -4.768 -4.234 1.00 0.00 N ATOM 609 CA GLU A 40 -6.279 -4.094 -3.015 1.00 0.00 C ATOM 610 C GLU A 40 -5.423 -2.872 -2.731 1.00 0.00 C ATOM 611 O GLU A 40 -5.917 -1.883 -2.193 1.00 0.00 O ATOM 612 CB GLU A 40 -6.219 -5.070 -1.847 1.00 0.00 C ATOM 613 CG GLU A 40 -7.248 -6.175 -1.959 1.00 0.00 C ATOM 614 CD GLU A 40 -8.658 -5.661 -1.764 1.00 0.00 C ATOM 615 OE1 GLU A 40 -9.261 -5.175 -2.742 1.00 0.00 O ATOM 616 OE2 GLU A 40 -9.171 -5.737 -0.628 1.00 0.00 O ATOM 0 H GLU A 40 -5.471 -5.695 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.304 -3.747 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.223 -5.510 -1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.375 -4.526 -0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.167 -6.648 -2.938 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.037 -6.944 -1.216 1.00 0.00 H new ATOM 623 N LEU A 41 -4.146 -2.936 -3.095 1.00 0.00 N ATOM 624 CA LEU A 41 -3.248 -1.801 -2.917 1.00 0.00 C ATOM 625 C LEU A 41 -3.781 -0.608 -3.701 1.00 0.00 C ATOM 626 O LEU A 41 -3.594 0.544 -3.317 1.00 0.00 O ATOM 627 CB LEU A 41 -1.829 -2.165 -3.373 1.00 0.00 C ATOM 628 CG LEU A 41 -0.735 -1.164 -2.990 1.00 0.00 C ATOM 629 CD1 LEU A 41 -0.680 -0.979 -1.483 1.00 0.00 C ATOM 630 CD2 LEU A 41 0.615 -1.628 -3.512 1.00 0.00 C ATOM 0 H LEU A 41 -3.711 -3.758 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.202 -1.538 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.570 -3.137 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.832 -2.276 -4.457 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.976 -0.204 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.104 -0.264 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.640 -0.605 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.464 -1.935 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.381 -0.906 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.857 -2.600 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.576 -1.712 -4.598 1.00 0.00 H new ATOM 642 N ILE A 42 -4.481 -0.917 -4.783 1.00 0.00 N ATOM 643 CA ILE A 42 -5.145 0.081 -5.602 1.00 0.00 C ATOM 644 C ILE A 42 -6.515 0.416 -5.021 1.00 0.00 C ATOM 645 O ILE A 42 -6.848 1.581 -4.820 1.00 0.00 O ATOM 646 CB ILE A 42 -5.324 -0.449 -7.041 1.00 0.00 C ATOM 647 CG1 ILE A 42 -3.971 -0.591 -7.737 1.00 0.00 C ATOM 648 CG2 ILE A 42 -6.258 0.440 -7.841 1.00 0.00 C ATOM 649 CD1 ILE A 42 -4.065 -1.217 -9.112 1.00 0.00 C ATOM 0 H ILE A 42 -4.604 -1.873 -5.117 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.528 0.980 -5.616 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.780 -1.437 -6.981 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.511 0.393 -7.825 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.312 -1.197 -7.114 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.364 0.041 -8.850 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.235 0.470 -7.358 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.847 1.448 -7.891 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.069 -1.288 -9.549 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.496 -2.215 -9.029 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.698 -0.600 -9.750 1.00 0.00 H new ATOM 661 N SER A 43 -7.299 -0.618 -4.743 1.00 0.00 N ATOM 662 CA SER A 43 -8.646 -0.447 -4.221 1.00 0.00 C ATOM 663 C SER A 43 -8.636 0.396 -2.947 1.00 0.00 C ATOM 664 O SER A 43 -9.519 1.227 -2.732 1.00 0.00 O ATOM 665 CB SER A 43 -9.281 -1.813 -3.949 1.00 0.00 C ATOM 666 OG SER A 43 -10.634 -1.677 -3.554 1.00 0.00 O ATOM 0 H SER A 43 -7.021 -1.591 -4.872 1.00 0.00 H new ATOM 0 HA SER A 43 -9.239 0.078 -4.969 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.221 -2.430 -4.845 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.721 -2.329 -3.169 1.00 0.00 H new ATOM 0 HG SER A 43 -11.017 -2.564 -3.388 1.00 0.00 H new ATOM 672 N PHE A 44 -7.623 0.196 -2.116 1.00 0.00 N ATOM 673 CA PHE A 44 -7.508 0.936 -0.872 1.00 0.00 C ATOM 674 C PHE A 44 -7.135 2.387 -1.141 1.00 0.00 C ATOM 675 O PHE A 44 -7.576 3.288 -0.430 1.00 0.00 O ATOM 676 CB PHE A 44 -6.474 0.286 0.049 1.00 0.00 C ATOM 677 CG PHE A 44 -6.488 0.826 1.451 1.00 0.00 C ATOM 678 CD1 PHE A 44 -7.431 0.384 2.364 1.00 0.00 C ATOM 679 CD2 PHE A 44 -5.559 1.770 1.857 1.00 0.00 C ATOM 680 CE1 PHE A 44 -7.448 0.874 3.656 1.00 0.00 C ATOM 681 CE2 PHE A 44 -5.571 2.263 3.148 1.00 0.00 C ATOM 682 CZ PHE A 44 -6.517 1.814 4.046 1.00 0.00 C ATOM 0 H PHE A 44 -6.871 -0.472 -2.282 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.478 0.914 -0.375 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.654 -0.789 0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.481 0.430 -0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.162 -0.352 2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.817 2.125 1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.189 0.522 4.359 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.841 2.998 3.453 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.529 2.199 5.055 1.00 0.00 H new ATOM 692 N CYS A 45 -6.341 2.630 -2.178 1.00 0.00 N ATOM 693 CA CYS A 45 -5.937 3.991 -2.477 1.00 0.00 C ATOM 694 C CYS A 45 -6.972 4.705 -3.333 1.00 0.00 C ATOM 695 O CYS A 45 -6.913 5.916 -3.502 1.00 0.00 O ATOM 696 CB CYS A 45 -4.550 4.072 -3.113 1.00 0.00 C ATOM 697 SG CYS A 45 -4.294 3.186 -4.676 1.00 0.00 S ATOM 0 H CYS A 45 -5.974 1.919 -2.810 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.874 4.506 -1.519 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.317 5.124 -3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.826 3.696 -2.390 1.00 0.00 H new ATOM 702 N LEU A 46 -7.898 3.951 -3.893 1.00 0.00 N ATOM 703 CA LEU A 46 -9.049 4.535 -4.562 1.00 0.00 C ATOM 704 C LEU A 46 -10.168 4.804 -3.551 1.00 0.00 C ATOM 705 O LEU A 46 -11.043 5.640 -3.776 1.00 0.00 O ATOM 706 CB LEU A 46 -9.530 3.608 -5.677 1.00 0.00 C ATOM 707 CG LEU A 46 -10.768 4.075 -6.443 1.00 0.00 C ATOM 708 CD1 LEU A 46 -10.486 5.373 -7.188 1.00 0.00 C ATOM 709 CD2 LEU A 46 -11.224 2.994 -7.407 1.00 0.00 C ATOM 0 H LEU A 46 -7.878 2.931 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.759 5.487 -5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.715 3.473 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.741 2.630 -5.245 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.567 4.265 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.381 5.686 -7.726 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.202 6.147 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.673 5.216 -7.897 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.106 3.337 -7.947 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.425 2.778 -8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.468 2.089 -6.850 1.00 0.00 H new ATOM 721 N ASP A 47 -10.118 4.090 -2.434 1.00 0.00 N ATOM 722 CA ASP A 47 -11.104 4.239 -1.362 1.00 0.00 C ATOM 723 C ASP A 47 -10.765 5.428 -0.467 1.00 0.00 C ATOM 724 O ASP A 47 -11.635 5.999 0.191 1.00 0.00 O ATOM 725 CB ASP A 47 -11.151 2.954 -0.527 1.00 0.00 C ATOM 726 CG ASP A 47 -12.006 3.083 0.718 1.00 0.00 C ATOM 727 OD1 ASP A 47 -13.244 2.995 0.606 1.00 0.00 O ATOM 728 OD2 ASP A 47 -11.439 3.249 1.821 1.00 0.00 O ATOM 0 H ASP A 47 -9.398 3.393 -2.242 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.080 4.421 -1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.537 2.142 -1.143 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.137 2.679 -0.237 1.00 0.00 H new ATOM 733 N THR A 48 -9.498 5.804 -0.466 1.00 0.00 N ATOM 734 CA THR A 48 -8.996 6.851 0.412 1.00 0.00 C ATOM 735 C THR A 48 -9.303 8.255 -0.114 1.00 0.00 C ATOM 736 O THR A 48 -10.030 8.415 -1.100 1.00 0.00 O ATOM 737 CB THR A 48 -7.483 6.688 0.594 1.00 0.00 C ATOM 738 OG1 THR A 48 -6.915 6.115 -0.587 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.168 5.801 1.789 1.00 0.00 C ATOM 0 H THR A 48 -8.788 5.394 -1.072 1.00 0.00 H new ATOM 0 HA THR A 48 -9.507 6.745 1.369 1.00 0.00 H new ATOM 0 HB THR A 48 -7.053 7.673 0.772 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.994 6.432 -0.694 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.088 5.703 1.894 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.582 6.248 2.693 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.609 4.816 1.637 1.00 0.00 H new ATOM 747 N LYS A 49 -8.743 9.267 0.545 1.00 0.00 N ATOM 748 CA LYS A 49 -8.965 10.657 0.158 1.00 0.00 C ATOM 749 C LYS A 49 -7.802 11.181 -0.667 1.00 0.00 C ATOM 750 O LYS A 49 -6.787 10.507 -0.798 1.00 0.00 O ATOM 751 CB LYS A 49 -9.163 11.522 1.401 1.00 0.00 C ATOM 752 CG LYS A 49 -10.325 11.063 2.264 1.00 0.00 C ATOM 753 CD LYS A 49 -10.395 11.832 3.571 1.00 0.00 C ATOM 754 CE LYS A 49 -11.591 11.402 4.404 1.00 0.00 C ATOM 755 NZ LYS A 49 -11.629 9.928 4.606 1.00 0.00 N ATOM 0 H LYS A 49 -8.130 9.149 1.352 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.865 10.704 -0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.249 11.509 1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.330 12.555 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.258 11.192 1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.224 9.998 2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.478 11.672 4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.459 12.900 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.556 11.900 5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.509 11.724 3.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.989 9.717 5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.254 9.496 3.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.670 9.539 4.505 1.00 0.00 H new ATOM 769 N GLY A 50 -7.951 12.399 -1.184 1.00 0.00 N ATOM 770 CA GLY A 50 -7.026 12.933 -2.173 1.00 0.00 C ATOM 771 C GLY A 50 -5.557 12.821 -1.804 1.00 0.00 C ATOM 772 O GLY A 50 -4.730 12.499 -2.661 1.00 0.00 O ATOM 0 H GLY A 50 -8.708 13.034 -0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.188 12.414 -3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.264 13.983 -2.341 1.00 0.00 H new ATOM 776 N LYS A 51 -5.222 13.086 -0.545 1.00 0.00 N ATOM 777 CA LYS A 51 -3.834 12.991 -0.096 1.00 0.00 C ATOM 778 C LYS A 51 -3.325 11.568 -0.279 1.00 0.00 C ATOM 779 O LYS A 51 -2.221 11.337 -0.771 1.00 0.00 O ATOM 780 CB LYS A 51 -3.714 13.383 1.381 1.00 0.00 C ATOM 781 CG LYS A 51 -2.285 13.645 1.836 1.00 0.00 C ATOM 782 CD LYS A 51 -1.700 14.902 1.202 1.00 0.00 C ATOM 783 CE LYS A 51 -2.363 16.165 1.731 1.00 0.00 C ATOM 784 NZ LYS A 51 -1.748 17.395 1.164 1.00 0.00 N ATOM 0 H LYS A 51 -5.885 13.366 0.178 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.235 13.677 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.311 14.277 1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.140 12.588 1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.263 13.744 2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.662 12.788 1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.629 14.944 1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.822 14.854 0.120 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.426 16.146 1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.284 16.188 2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.228 18.233 1.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.740 17.427 1.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.845 17.386 0.129 1.00 0.00 H new ATOM 798 N GLU A 52 -4.171 10.627 0.093 1.00 0.00 N ATOM 799 CA GLU A 52 -3.825 9.220 0.095 1.00 0.00 C ATOM 800 C GLU A 52 -3.937 8.637 -1.314 1.00 0.00 C ATOM 801 O GLU A 52 -3.185 7.734 -1.684 1.00 0.00 O ATOM 802 CB GLU A 52 -4.757 8.486 1.052 1.00 0.00 C ATOM 803 CG GLU A 52 -4.875 9.158 2.414 1.00 0.00 C ATOM 804 CD GLU A 52 -6.074 8.677 3.207 1.00 0.00 C ATOM 805 OE1 GLU A 52 -7.219 8.992 2.812 1.00 0.00 O ATOM 806 OE2 GLU A 52 -5.883 7.995 4.234 1.00 0.00 O ATOM 0 H GLU A 52 -5.123 10.819 0.404 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.793 9.099 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.747 8.417 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.397 7.466 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.967 8.969 2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.946 10.237 2.276 1.00 0.00 H new ATOM 813 N ASN A 53 -4.880 9.161 -2.101 1.00 0.00 N ATOM 814 CA ASN A 53 -5.037 8.737 -3.493 1.00 0.00 C ATOM 815 C ASN A 53 -3.764 9.057 -4.267 1.00 0.00 C ATOM 816 O ASN A 53 -3.178 8.189 -4.911 1.00 0.00 O ATOM 817 CB ASN A 53 -6.218 9.439 -4.190 1.00 0.00 C ATOM 818 CG ASN A 53 -7.535 9.367 -3.444 1.00 0.00 C ATOM 819 OD1 ASN A 53 -8.340 10.295 -3.509 1.00 0.00 O ATOM 820 ND2 ASN A 53 -7.791 8.266 -2.767 1.00 0.00 N ATOM 0 H ASN A 53 -5.543 9.876 -1.800 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.235 7.665 -3.483 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.960 10.487 -4.342 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.352 8.998 -5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.679 8.164 -2.276 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.101 7.516 -2.734 1.00 0.00 H new ATOM 827 N ARG A 54 -3.334 10.315 -4.175 1.00 0.00 N ATOM 828 CA ARG A 54 -2.134 10.777 -4.866 1.00 0.00 C ATOM 829 C ARG A 54 -0.901 10.041 -4.346 1.00 0.00 C ATOM 830 O ARG A 54 0.020 9.735 -5.102 1.00 0.00 O ATOM 831 CB ARG A 54 -1.962 12.290 -4.687 1.00 0.00 C ATOM 832 CG ARG A 54 -0.782 12.866 -5.454 1.00 0.00 C ATOM 833 CD ARG A 54 -0.933 12.649 -6.951 1.00 0.00 C ATOM 834 NE ARG A 54 0.267 13.039 -7.687 1.00 0.00 N ATOM 835 CZ ARG A 54 0.508 12.700 -8.955 1.00 0.00 C ATOM 836 NH1 ARG A 54 -0.402 12.024 -9.651 1.00 0.00 N ATOM 837 NH2 ARG A 54 1.646 13.063 -9.534 1.00 0.00 N ATOM 0 H ARG A 54 -3.803 11.035 -3.625 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.245 10.562 -5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.874 12.791 -5.011 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.837 12.510 -3.627 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.697 13.933 -5.246 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.141 12.400 -5.109 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.151 11.599 -7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.784 13.224 -7.316 1.00 0.00 H new ATOM 0 HE ARG A 54 0.963 13.605 -7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.287 11.763 -9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.215 11.766 -10.620 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.336 13.601 -9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.830 12.804 -10.503 1.00 0.00 H new ATOM 851 N LEU A 55 -0.907 9.753 -3.051 1.00 0.00 N ATOM 852 CA LEU A 55 0.170 9.008 -2.405 1.00 0.00 C ATOM 853 C LEU A 55 0.383 7.650 -3.083 1.00 0.00 C ATOM 854 O LEU A 55 1.506 7.158 -3.189 1.00 0.00 O ATOM 855 CB LEU A 55 -0.181 8.806 -0.931 1.00 0.00 C ATOM 856 CG LEU A 55 0.824 8.013 -0.102 1.00 0.00 C ATOM 857 CD1 LEU A 55 2.121 8.790 0.064 1.00 0.00 C ATOM 858 CD2 LEU A 55 0.214 7.677 1.247 1.00 0.00 C ATOM 0 H LEU A 55 -1.658 10.028 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 55 1.096 9.576 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.307 9.786 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.146 8.302 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 55 1.062 7.085 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.822 8.205 0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.554 8.989 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.917 9.734 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.932 7.110 1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.042 8.598 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.687 7.081 1.101 1.00 0.00 H new ATOM 870 N CYS A 56 -0.706 7.071 -3.566 1.00 0.00 N ATOM 871 CA CYS A 56 -0.684 5.750 -4.185 1.00 0.00 C ATOM 872 C CYS A 56 0.016 5.782 -5.536 1.00 0.00 C ATOM 873 O CYS A 56 0.568 4.772 -5.985 1.00 0.00 O ATOM 874 CB CYS A 56 -2.122 5.253 -4.311 1.00 0.00 C ATOM 875 SG CYS A 56 -2.346 3.610 -5.070 1.00 0.00 S ATOM 0 H CYS A 56 -1.630 7.502 -3.541 1.00 0.00 H new ATOM 0 HA CYS A 56 -0.115 5.062 -3.560 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.566 5.233 -3.316 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.685 5.980 -4.896 1.00 0.00 H new ATOM 880 N TYR A 57 0.020 6.946 -6.171 1.00 0.00 N ATOM 881 CA TYR A 57 0.757 7.129 -7.410 1.00 0.00 C ATOM 882 C TYR A 57 2.249 7.083 -7.130 1.00 0.00 C ATOM 883 O TYR A 57 3.044 6.713 -7.985 1.00 0.00 O ATOM 884 CB TYR A 57 0.401 8.462 -8.067 1.00 0.00 C ATOM 885 CG TYR A 57 -0.973 8.498 -8.690 1.00 0.00 C ATOM 886 CD1 TYR A 57 -2.106 8.710 -7.917 1.00 0.00 C ATOM 887 CD2 TYR A 57 -1.131 8.331 -10.057 1.00 0.00 C ATOM 888 CE1 TYR A 57 -3.362 8.755 -8.490 1.00 0.00 C ATOM 889 CE2 TYR A 57 -2.381 8.378 -10.639 1.00 0.00 C ATOM 890 CZ TYR A 57 -3.495 8.590 -9.853 1.00 0.00 C ATOM 891 OH TYR A 57 -4.744 8.639 -10.433 1.00 0.00 O ATOM 0 H TYR A 57 -0.478 7.775 -5.848 1.00 0.00 H new ATOM 0 HA TYR A 57 0.485 6.324 -8.092 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.469 9.252 -7.319 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.142 8.685 -8.835 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.004 8.842 -6.850 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.262 8.162 -10.676 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.234 8.918 -7.875 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.487 8.249 -11.706 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.661 8.505 -11.400 1.00 0.00 H new ATOM 901 N TYR A 58 2.623 7.468 -5.923 1.00 0.00 N ATOM 902 CA TYR A 58 4.020 7.469 -5.538 1.00 0.00 C ATOM 903 C TYR A 58 4.437 6.106 -4.999 1.00 0.00 C ATOM 904 O TYR A 58 5.569 5.669 -5.200 1.00 0.00 O ATOM 905 CB TYR A 58 4.297 8.565 -4.514 1.00 0.00 C ATOM 906 CG TYR A 58 3.836 9.936 -4.955 1.00 0.00 C ATOM 907 CD1 TYR A 58 4.147 10.417 -6.220 1.00 0.00 C ATOM 908 CD2 TYR A 58 3.083 10.742 -4.112 1.00 0.00 C ATOM 909 CE1 TYR A 58 3.725 11.665 -6.632 1.00 0.00 C ATOM 910 CE2 TYR A 58 2.655 11.992 -4.516 1.00 0.00 C ATOM 911 CZ TYR A 58 2.979 12.448 -5.777 1.00 0.00 C ATOM 912 OH TYR A 58 2.559 13.695 -6.183 1.00 0.00 O ATOM 0 H TYR A 58 1.980 7.783 -5.196 1.00 0.00 H new ATOM 0 HA TYR A 58 4.616 7.676 -6.427 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.803 8.309 -3.577 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.367 8.599 -4.311 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.729 9.804 -6.893 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.828 10.386 -3.125 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.978 12.026 -7.618 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.071 12.608 -3.849 1.00 0.00 H new ATOM 0 HH TYR A 58 2.044 14.117 -5.464 1.00 0.00 H new ATOM 922 N LEU A 59 3.512 5.436 -4.318 1.00 0.00 N ATOM 923 CA LEU A 59 3.766 4.094 -3.798 1.00 0.00 C ATOM 924 C LEU A 59 3.816 3.072 -4.933 1.00 0.00 C ATOM 925 O LEU A 59 4.272 1.945 -4.747 1.00 0.00 O ATOM 926 CB LEU A 59 2.701 3.706 -2.765 1.00 0.00 C ATOM 927 CG LEU A 59 2.771 4.479 -1.441 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.578 4.146 -0.562 1.00 0.00 C ATOM 929 CD2 LEU A 59 4.065 4.166 -0.704 1.00 0.00 C ATOM 0 H LEU A 59 2.581 5.799 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 59 4.738 4.098 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.716 3.858 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.794 2.641 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 59 2.749 5.544 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.647 4.704 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.658 4.417 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.572 3.078 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.095 4.724 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.113 3.098 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.915 4.451 -1.324 1.00 0.00 H new ATOM 941 N GLY A 60 3.334 3.472 -6.106 1.00 0.00 N ATOM 942 CA GLY A 60 3.495 2.657 -7.294 1.00 0.00 C ATOM 943 C GLY A 60 2.351 1.698 -7.534 1.00 0.00 C ATOM 944 O GLY A 60 2.448 0.816 -8.386 1.00 0.00 O ATOM 0 H GLY A 60 2.834 4.349 -6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.597 3.310 -8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.422 2.089 -7.211 1.00 0.00 H new ATOM 948 N ALA A 61 1.260 1.872 -6.809 1.00 0.00 N ATOM 949 CA ALA A 61 0.120 0.980 -6.950 1.00 0.00 C ATOM 950 C ALA A 61 -0.769 1.406 -8.109 1.00 0.00 C ATOM 951 O ALA A 61 -1.211 0.572 -8.899 1.00 0.00 O ATOM 952 CB ALA A 61 -0.677 0.923 -5.658 1.00 0.00 C ATOM 0 H ALA A 61 1.138 2.616 -6.122 1.00 0.00 H new ATOM 0 HA ALA A 61 0.499 -0.019 -7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.526 0.251 -5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.040 0.557 -4.853 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.038 1.921 -5.409 1.00 0.00 H new ATOM 958 N THR A 62 -1.015 2.704 -8.220 1.00 0.00 N ATOM 959 CA THR A 62 -1.886 3.229 -9.262 1.00 0.00 C ATOM 960 C THR A 62 -1.285 2.982 -10.648 1.00 0.00 C ATOM 961 O THR A 62 -0.065 2.865 -10.795 1.00 0.00 O ATOM 962 CB THR A 62 -2.119 4.736 -9.068 1.00 0.00 C ATOM 963 OG1 THR A 62 -2.135 5.047 -7.671 1.00 0.00 O ATOM 964 CG2 THR A 62 -3.440 5.159 -9.685 1.00 0.00 C ATOM 0 H THR A 62 -0.623 3.413 -7.601 1.00 0.00 H new ATOM 0 HA THR A 62 -2.840 2.708 -9.190 1.00 0.00 H new ATOM 0 HB THR A 62 -1.309 5.274 -9.560 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.416 4.257 -7.163 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.585 6.229 -9.536 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.430 4.939 -10.753 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.255 4.613 -9.210 1.00 0.00 H new ATOM 972 N LYS A 63 -2.145 2.914 -11.663 1.00 0.00 N ATOM 973 CA LYS A 63 -1.716 2.603 -13.025 1.00 0.00 C ATOM 974 C LYS A 63 -1.134 3.831 -13.728 1.00 0.00 C ATOM 975 O LYS A 63 -1.517 4.157 -14.854 1.00 0.00 O ATOM 976 CB LYS A 63 -2.895 2.052 -13.831 1.00 0.00 C ATOM 977 CG LYS A 63 -3.461 0.755 -13.277 1.00 0.00 C ATOM 978 CD LYS A 63 -4.772 0.358 -13.952 1.00 0.00 C ATOM 979 CE LYS A 63 -4.595 0.016 -15.427 1.00 0.00 C ATOM 980 NZ LYS A 63 -4.544 1.220 -16.302 1.00 0.00 N ATOM 0 H LYS A 63 -3.148 3.071 -11.566 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.931 1.850 -12.963 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.686 2.801 -13.858 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.575 1.888 -14.860 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.731 -0.043 -13.410 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.625 0.862 -12.205 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.198 -0.501 -13.433 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.487 1.175 -13.856 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.677 -0.557 -15.554 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.417 -0.624 -15.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.195 1.095 -17.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.825 2.059 -15.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.576 1.348 -16.660 1.00 0.00 H new ATOM 994 N ASP A 64 -0.224 4.508 -13.051 1.00 0.00 N ATOM 995 CA ASP A 64 0.507 5.631 -13.626 1.00 0.00 C ATOM 996 C ASP A 64 1.731 5.890 -12.766 1.00 0.00 C ATOM 997 O ASP A 64 2.038 7.020 -12.387 1.00 0.00 O ATOM 998 CB ASP A 64 -0.367 6.887 -13.725 1.00 0.00 C ATOM 999 CG ASP A 64 0.280 7.972 -14.570 1.00 0.00 C ATOM 1000 OD1 ASP A 64 0.485 7.746 -15.783 1.00 0.00 O ATOM 1001 OD2 ASP A 64 0.578 9.060 -14.032 1.00 0.00 O ATOM 0 H ASP A 64 0.032 4.297 -12.086 1.00 0.00 H new ATOM 0 HA ASP A 64 0.808 5.382 -14.644 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.333 6.622 -14.155 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.558 7.274 -12.724 1.00 0.00 H new ATOM 1006 N ALA A 65 2.412 4.805 -12.441 1.00 0.00 N ATOM 1007 CA ALA A 65 3.565 4.851 -11.565 1.00 0.00 C ATOM 1008 C ALA A 65 4.554 3.761 -11.943 1.00 0.00 C ATOM 1009 O ALA A 65 4.425 3.144 -12.999 1.00 0.00 O ATOM 1010 CB ALA A 65 3.125 4.681 -10.124 1.00 0.00 C ATOM 0 H ALA A 65 2.180 3.870 -12.777 1.00 0.00 H new ATOM 0 HA ALA A 65 4.054 5.819 -11.674 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.997 4.717 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.438 5.484 -9.856 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.623 3.720 -10.008 1.00 0.00 H new ATOM 1016 N ALA A 66 5.530 3.521 -11.083 1.00 0.00 N ATOM 1017 CA ALA A 66 6.486 2.447 -11.300 1.00 0.00 C ATOM 1018 C ALA A 66 5.810 1.092 -11.103 1.00 0.00 C ATOM 1019 O ALA A 66 5.239 0.816 -10.049 1.00 0.00 O ATOM 1020 CB ALA A 66 7.674 2.608 -10.366 1.00 0.00 C ATOM 0 H ALA A 66 5.681 4.055 -10.228 1.00 0.00 H new ATOM 0 HA ALA A 66 6.852 2.496 -12.326 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.384 1.798 -10.537 1.00 0.00 H new ATOM 0 HB2 ALA A 66 8.161 3.564 -10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.331 2.577 -9.332 1.00 0.00 H new ATOM 1026 N THR A 67 5.873 0.257 -12.128 1.00 0.00 N ATOM 1027 CA THR A 67 5.157 -1.012 -12.141 1.00 0.00 C ATOM 1028 C THR A 67 5.824 -2.078 -11.277 1.00 0.00 C ATOM 1029 O THR A 67 5.148 -2.951 -10.724 1.00 0.00 O ATOM 1030 CB THR A 67 5.032 -1.541 -13.581 1.00 0.00 C ATOM 1031 OG1 THR A 67 6.250 -1.285 -14.299 1.00 0.00 O ATOM 1032 CG2 THR A 67 3.863 -0.888 -14.302 1.00 0.00 C ATOM 0 H THR A 67 6.418 0.437 -12.971 1.00 0.00 H new ATOM 0 HA THR A 67 4.171 -0.812 -11.722 1.00 0.00 H new ATOM 0 HB THR A 67 4.851 -2.615 -13.538 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.188 -0.416 -14.749 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.797 -1.279 -15.317 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.938 -1.107 -13.768 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.015 0.191 -14.338 1.00 0.00 H new ATOM 1040 N LYS A 68 7.141 -2.004 -11.145 1.00 0.00 N ATOM 1041 CA LYS A 68 7.895 -3.063 -10.491 1.00 0.00 C ATOM 1042 C LYS A 68 7.916 -2.882 -8.974 1.00 0.00 C ATOM 1043 O LYS A 68 7.970 -3.861 -8.228 1.00 0.00 O ATOM 1044 CB LYS A 68 9.321 -3.113 -11.048 1.00 0.00 C ATOM 1045 CG LYS A 68 10.122 -4.317 -10.582 1.00 0.00 C ATOM 1046 CD LYS A 68 11.490 -4.374 -11.249 1.00 0.00 C ATOM 1047 CE LYS A 68 12.343 -3.159 -10.908 1.00 0.00 C ATOM 1048 NZ LYS A 68 12.688 -3.109 -9.463 1.00 0.00 N ATOM 0 H LYS A 68 7.707 -1.225 -11.481 1.00 0.00 H new ATOM 0 HA LYS A 68 7.398 -4.010 -10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.275 -3.119 -12.137 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.847 -2.204 -10.756 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.246 -4.275 -9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.570 -5.230 -10.805 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.008 -5.280 -10.936 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.364 -4.436 -12.330 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.259 -3.182 -11.499 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.807 -2.251 -11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.390 -2.359 -9.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.831 -2.909 -8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.085 -4.024 -9.169 1.00 0.00 H new ATOM 1062 N ILE A 69 7.847 -1.634 -8.515 1.00 0.00 N ATOM 1063 CA ILE A 69 7.910 -1.352 -7.080 1.00 0.00 C ATOM 1064 C ILE A 69 6.675 -1.860 -6.365 1.00 0.00 C ATOM 1065 O ILE A 69 6.672 -2.010 -5.145 1.00 0.00 O ATOM 1066 CB ILE A 69 8.066 0.150 -6.776 1.00 0.00 C ATOM 1067 CG1 ILE A 69 6.803 0.932 -7.150 1.00 0.00 C ATOM 1068 CG2 ILE A 69 9.258 0.697 -7.518 1.00 0.00 C ATOM 1069 CD1 ILE A 69 6.901 2.414 -6.845 1.00 0.00 C ATOM 0 H ILE A 69 7.749 -0.809 -9.107 1.00 0.00 H new ATOM 0 HA ILE A 69 8.795 -1.875 -6.717 1.00 0.00 H new ATOM 0 HB ILE A 69 8.221 0.267 -5.703 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.604 0.800 -8.214 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.952 0.513 -6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.365 1.760 -7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.157 0.169 -7.201 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.114 0.558 -8.590 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.973 2.907 -7.134 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.069 2.555 -5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.731 2.846 -7.404 1.00 0.00 H new ATOM 1081 N LEU A 70 5.630 -2.136 -7.127 1.00 0.00 N ATOM 1082 CA LEU A 70 4.396 -2.616 -6.551 1.00 0.00 C ATOM 1083 C LEU A 70 4.648 -3.971 -5.884 1.00 0.00 C ATOM 1084 O LEU A 70 4.133 -4.264 -4.801 1.00 0.00 O ATOM 1085 CB LEU A 70 3.314 -2.722 -7.636 1.00 0.00 C ATOM 1086 CG LEU A 70 1.861 -2.586 -7.160 1.00 0.00 C ATOM 1087 CD1 LEU A 70 0.924 -2.513 -8.350 1.00 0.00 C ATOM 1088 CD2 LEU A 70 1.464 -3.744 -6.261 1.00 0.00 C ATOM 0 H LEU A 70 5.616 -2.035 -8.142 1.00 0.00 H new ATOM 0 HA LEU A 70 4.041 -1.915 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.503 -1.952 -8.384 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.422 -3.685 -8.135 1.00 0.00 H new ATOM 0 HG LEU A 70 1.784 -1.665 -6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.103 -2.417 -7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.181 -1.649 -8.963 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.020 -3.421 -8.945 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.430 -3.618 -5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.563 -4.681 -6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.114 -3.765 -5.387 1.00 0.00 H new ATOM 1100 N SER A 71 5.488 -4.774 -6.526 1.00 0.00 N ATOM 1101 CA SER A 71 5.844 -6.086 -6.012 1.00 0.00 C ATOM 1102 C SER A 71 6.683 -5.958 -4.742 1.00 0.00 C ATOM 1103 O SER A 71 6.693 -6.858 -3.898 1.00 0.00 O ATOM 1104 CB SER A 71 6.604 -6.865 -7.084 1.00 0.00 C ATOM 1105 OG SER A 71 5.858 -6.910 -8.290 1.00 0.00 O ATOM 0 H SER A 71 5.937 -4.535 -7.410 1.00 0.00 H new ATOM 0 HA SER A 71 4.933 -6.628 -5.758 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.571 -6.396 -7.265 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.802 -7.878 -6.734 1.00 0.00 H new ATOM 0 HG SER A 71 6.360 -7.411 -8.967 1.00 0.00 H new ATOM 1111 N GLU A 72 7.358 -4.821 -4.603 1.00 0.00 N ATOM 1112 CA GLU A 72 8.179 -4.546 -3.432 1.00 0.00 C ATOM 1113 C GLU A 72 7.292 -4.376 -2.200 1.00 0.00 C ATOM 1114 O GLU A 72 7.733 -4.574 -1.070 1.00 0.00 O ATOM 1115 CB GLU A 72 9.023 -3.286 -3.666 1.00 0.00 C ATOM 1116 CG GLU A 72 9.969 -2.941 -2.525 1.00 0.00 C ATOM 1117 CD GLU A 72 11.037 -3.993 -2.311 1.00 0.00 C ATOM 1118 OE1 GLU A 72 12.092 -3.923 -2.974 1.00 0.00 O ATOM 1119 OE2 GLU A 72 10.838 -4.894 -1.475 1.00 0.00 O ATOM 0 H GLU A 72 7.351 -4.071 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 72 8.851 -5.387 -3.262 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.606 -3.418 -4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.354 -2.442 -3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.445 -1.983 -2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.395 -2.821 -1.606 1.00 0.00 H new ATOM 1126 N VAL A 73 6.042 -3.992 -2.423 1.00 0.00 N ATOM 1127 CA VAL A 73 5.082 -3.884 -1.336 1.00 0.00 C ATOM 1128 C VAL A 73 4.381 -5.223 -1.090 1.00 0.00 C ATOM 1129 O VAL A 73 4.477 -5.800 -0.002 1.00 0.00 O ATOM 1130 CB VAL A 73 4.025 -2.797 -1.630 1.00 0.00 C ATOM 1131 CG1 VAL A 73 3.050 -2.660 -0.471 1.00 0.00 C ATOM 1132 CG2 VAL A 73 4.696 -1.463 -1.927 1.00 0.00 C ATOM 0 H VAL A 73 5.672 -3.751 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 73 5.637 -3.602 -0.441 1.00 0.00 H new ATOM 0 HB VAL A 73 3.462 -3.103 -2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.316 -1.888 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.540 -3.610 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.595 -2.383 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.935 -0.710 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.289 -1.154 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.345 -1.568 -2.796 1.00 0.00 H new ATOM 1142 N THR A 74 3.734 -5.738 -2.135 1.00 0.00 N ATOM 1143 CA THR A 74 2.893 -6.931 -2.032 1.00 0.00 C ATOM 1144 C THR A 74 3.629 -8.122 -1.433 1.00 0.00 C ATOM 1145 O THR A 74 3.175 -8.689 -0.444 1.00 0.00 O ATOM 1146 CB THR A 74 2.343 -7.342 -3.407 1.00 0.00 C ATOM 1147 OG1 THR A 74 3.392 -7.294 -4.384 1.00 0.00 O ATOM 1148 CG2 THR A 74 1.208 -6.430 -3.839 1.00 0.00 C ATOM 0 H THR A 74 3.777 -5.342 -3.074 1.00 0.00 H new ATOM 0 HA THR A 74 2.076 -6.658 -1.365 1.00 0.00 H new ATOM 0 HB THR A 74 1.957 -8.358 -3.327 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.050 -6.898 -5.212 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.839 -6.745 -4.815 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.399 -6.485 -3.110 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.570 -5.404 -3.902 1.00 0.00 H new ATOM 1156 N ARG A 75 4.764 -8.487 -2.027 1.00 0.00 N ATOM 1157 CA ARG A 75 5.487 -9.691 -1.616 1.00 0.00 C ATOM 1158 C ARG A 75 5.794 -9.688 -0.113 1.00 0.00 C ATOM 1159 O ARG A 75 5.499 -10.669 0.569 1.00 0.00 O ATOM 1160 CB ARG A 75 6.762 -9.900 -2.454 1.00 0.00 C ATOM 1161 CG ARG A 75 6.514 -10.591 -3.793 1.00 0.00 C ATOM 1162 CD ARG A 75 5.630 -9.759 -4.712 1.00 0.00 C ATOM 1163 NE ARG A 75 5.259 -10.476 -5.934 1.00 0.00 N ATOM 1164 CZ ARG A 75 4.246 -10.119 -6.730 1.00 0.00 C ATOM 1165 NH1 ARG A 75 3.489 -9.074 -6.428 1.00 0.00 N ATOM 1166 NH2 ARG A 75 3.974 -10.820 -7.822 1.00 0.00 N ATOM 0 H ARG A 75 5.201 -7.970 -2.790 1.00 0.00 H new ATOM 0 HA ARG A 75 4.830 -10.539 -1.807 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.228 -8.932 -2.636 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.472 -10.492 -1.876 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.468 -10.782 -4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.045 -11.560 -3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.726 -9.469 -4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.152 -8.840 -4.978 1.00 0.00 H new ATOM 0 HE ARG A 75 5.806 -11.297 -6.193 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.677 -8.535 -5.583 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.718 -8.809 -7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.539 -11.636 -8.058 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.200 -10.543 -8.426 1.00 0.00 H new ATOM 1180 N PRO A 76 6.383 -8.614 0.446 1.00 0.00 N ATOM 1181 CA PRO A 76 6.568 -8.515 1.897 1.00 0.00 C ATOM 1182 C PRO A 76 5.247 -8.439 2.655 1.00 0.00 C ATOM 1183 O PRO A 76 5.057 -9.139 3.645 1.00 0.00 O ATOM 1184 CB PRO A 76 7.357 -7.216 2.079 1.00 0.00 C ATOM 1185 CG PRO A 76 7.977 -6.960 0.755 1.00 0.00 C ATOM 1186 CD PRO A 76 6.995 -7.474 -0.253 1.00 0.00 C ATOM 0 HA PRO A 76 7.074 -9.396 2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.704 -6.395 2.375 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.114 -7.318 2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.168 -5.897 0.610 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.936 -7.471 0.665 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.256 -6.719 -0.520 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.486 -7.781 -1.177 1.00 0.00 H new ATOM 1194 N MET A 77 4.330 -7.609 2.169 1.00 0.00 N ATOM 1195 CA MET A 77 3.056 -7.368 2.851 1.00 0.00 C ATOM 1196 C MET A 77 2.187 -8.625 2.892 1.00 0.00 C ATOM 1197 O MET A 77 1.197 -8.682 3.618 1.00 0.00 O ATOM 1198 CB MET A 77 2.299 -6.220 2.184 1.00 0.00 C ATOM 1199 CG MET A 77 1.030 -5.822 2.917 1.00 0.00 C ATOM 1200 SD MET A 77 0.304 -4.313 2.266 1.00 0.00 S ATOM 1201 CE MET A 77 1.485 -3.089 2.823 1.00 0.00 C ATOM 0 H MET A 77 4.443 -7.087 1.300 1.00 0.00 H new ATOM 0 HA MET A 77 3.284 -7.091 3.880 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.956 -5.353 2.116 1.00 0.00 H new ATOM 0 HB3 MET A 77 2.044 -6.508 1.164 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.304 -6.631 2.845 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.253 -5.687 3.975 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.021 -2.453 3.577 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.352 -3.590 3.254 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.802 -2.478 1.978 1.00 0.00 H new ATOM 1211 N SER A 78 2.561 -9.624 2.103 1.00 0.00 N ATOM 1212 CA SER A 78 1.876 -10.912 2.105 1.00 0.00 C ATOM 1213 C SER A 78 1.914 -11.545 3.502 1.00 0.00 C ATOM 1214 O SER A 78 1.124 -12.433 3.826 1.00 0.00 O ATOM 1215 CB SER A 78 2.533 -11.832 1.076 1.00 0.00 C ATOM 1216 OG SER A 78 2.573 -11.216 -0.196 1.00 0.00 O ATOM 0 H SER A 78 3.341 -9.567 1.448 1.00 0.00 H new ATOM 0 HA SER A 78 0.830 -10.763 1.838 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.545 -12.080 1.397 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.980 -12.769 1.014 1.00 0.00 H new ATOM 0 HG SER A 78 3.144 -10.421 -0.156 1.00 0.00 H new ATOM 1222 N VAL A 79 2.846 -11.070 4.319 1.00 0.00 N ATOM 1223 CA VAL A 79 2.948 -11.464 5.712 1.00 0.00 C ATOM 1224 C VAL A 79 3.333 -10.224 6.532 1.00 0.00 C ATOM 1225 O VAL A 79 3.687 -9.195 5.961 1.00 0.00 O ATOM 1226 CB VAL A 79 3.982 -12.607 5.886 1.00 0.00 C ATOM 1227 CG1 VAL A 79 5.393 -12.128 5.592 1.00 0.00 C ATOM 1228 CG2 VAL A 79 3.898 -13.229 7.272 1.00 0.00 C ATOM 0 H VAL A 79 3.555 -10.397 4.029 1.00 0.00 H new ATOM 0 HA VAL A 79 1.992 -11.850 6.066 1.00 0.00 H new ATOM 0 HB VAL A 79 3.733 -13.380 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.092 -12.954 5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.448 -11.766 4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.653 -11.320 6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.636 -14.026 7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.097 -12.467 8.025 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.900 -13.640 7.426 1.00 0.00 H new ATOM 1238 N HIS A 80 3.238 -10.295 7.854 1.00 0.00 N ATOM 1239 CA HIS A 80 3.552 -9.140 8.698 1.00 0.00 C ATOM 1240 C HIS A 80 5.053 -8.863 8.673 1.00 0.00 C ATOM 1241 O HIS A 80 5.846 -9.632 9.219 1.00 0.00 O ATOM 1242 CB HIS A 80 3.058 -9.361 10.130 1.00 0.00 C ATOM 1243 CG HIS A 80 1.565 -9.466 10.227 1.00 0.00 C ATOM 1244 ND1 HIS A 80 0.751 -8.402 10.553 1.00 0.00 N ATOM 1245 CD2 HIS A 80 0.738 -10.519 10.030 1.00 0.00 C ATOM 1246 CE1 HIS A 80 -0.510 -8.796 10.548 1.00 0.00 C ATOM 1247 NE2 HIS A 80 -0.543 -10.075 10.233 1.00 0.00 N ATOM 0 H HIS A 80 2.949 -11.130 8.365 1.00 0.00 H new ATOM 0 HA HIS A 80 3.034 -8.267 8.300 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.507 -10.272 10.527 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.400 -8.538 10.757 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.033 -11.523 9.762 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.367 -8.176 10.765 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.386 -10.643 10.153 1.00 0.00 H new ATOM 1256 N MET A 81 5.432 -7.760 8.037 1.00 0.00 N ATOM 1257 CA MET A 81 6.828 -7.510 7.695 1.00 0.00 C ATOM 1258 C MET A 81 7.318 -6.115 8.115 1.00 0.00 C ATOM 1259 O MET A 81 6.550 -5.281 8.593 1.00 0.00 O ATOM 1260 CB MET A 81 7.000 -7.684 6.177 1.00 0.00 C ATOM 1261 CG MET A 81 7.288 -9.118 5.759 1.00 0.00 C ATOM 1262 SD MET A 81 9.033 -9.554 5.817 1.00 0.00 S ATOM 1263 CE MET A 81 9.644 -8.559 4.468 1.00 0.00 C ATOM 0 H MET A 81 4.790 -7.022 7.747 1.00 0.00 H new ATOM 0 HA MET A 81 7.434 -8.228 8.248 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.094 -7.343 5.675 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.814 -7.044 5.836 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.732 -9.795 6.408 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.918 -9.273 4.746 1.00 0.00 H new ATOM 0 HE1 MET A 81 10.732 -8.612 4.441 1.00 0.00 H new ATOM 0 HE2 MET A 81 9.239 -8.933 3.528 1.00 0.00 H new ATOM 0 HE3 MET A 81 9.335 -7.524 4.610 1.00 0.00 H new ATOM 1273 N PRO A 82 8.645 -5.913 7.946 1.00 0.00 N ATOM 1274 CA PRO A 82 9.396 -4.642 8.076 1.00 0.00 C ATOM 1275 C PRO A 82 8.752 -3.346 7.550 1.00 0.00 C ATOM 1276 O PRO A 82 9.416 -2.326 7.553 1.00 0.00 O ATOM 1277 CB PRO A 82 10.655 -4.921 7.270 1.00 0.00 C ATOM 1278 CG PRO A 82 10.932 -6.355 7.507 1.00 0.00 C ATOM 1279 CD PRO A 82 9.599 -7.021 7.700 1.00 0.00 C ATOM 0 HA PRO A 82 9.503 -4.421 9.138 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.502 -4.715 6.210 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.485 -4.296 7.600 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.465 -6.792 6.663 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.563 -6.488 8.386 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.315 -7.597 6.819 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.623 -7.714 8.541 1.00 0.00 H new ATOM 1287 N ALA A 83 7.524 -3.412 7.031 1.00 0.00 N ATOM 1288 CA ALA A 83 6.876 -2.324 6.263 1.00 0.00 C ATOM 1289 C ALA A 83 7.109 -0.894 6.781 1.00 0.00 C ATOM 1290 O ALA A 83 7.047 0.046 5.989 1.00 0.00 O ATOM 1291 CB ALA A 83 5.384 -2.590 6.181 1.00 0.00 C ATOM 0 H ALA A 83 6.932 -4.237 7.130 1.00 0.00 H new ATOM 0 HA ALA A 83 7.357 -2.348 5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.903 -1.792 5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.211 -3.543 5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.965 -2.627 7.187 1.00 0.00 H new ATOM 1297 N MET A 84 7.378 -0.714 8.071 1.00 0.00 N ATOM 1298 CA MET A 84 7.778 0.602 8.586 1.00 0.00 C ATOM 1299 C MET A 84 9.024 1.080 7.837 1.00 0.00 C ATOM 1300 O MET A 84 9.159 2.246 7.469 1.00 0.00 O ATOM 1301 CB MET A 84 8.108 0.546 10.085 1.00 0.00 C ATOM 1302 CG MET A 84 7.152 -0.282 10.929 1.00 0.00 C ATOM 1303 SD MET A 84 7.327 -2.060 10.656 1.00 0.00 S ATOM 1304 CE MET A 84 9.113 -2.225 10.633 1.00 0.00 C ATOM 0 H MET A 84 7.329 -1.450 8.776 1.00 0.00 H new ATOM 0 HA MET A 84 6.943 1.286 8.436 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.114 0.144 10.204 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.123 1.564 10.475 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.324 -0.063 11.983 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.128 0.015 10.705 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.384 -3.271 10.777 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.498 -1.879 9.674 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.544 -1.625 11.435 1.00 0.00 H new ATOM 1314 N LYS A 85 9.926 0.141 7.621 1.00 0.00 N ATOM 1315 CA LYS A 85 11.167 0.369 6.904 1.00 0.00 C ATOM 1316 C LYS A 85 10.965 0.232 5.406 1.00 0.00 C ATOM 1317 O LYS A 85 11.737 0.766 4.616 1.00 0.00 O ATOM 1318 CB LYS A 85 12.212 -0.636 7.372 1.00 0.00 C ATOM 1319 CG LYS A 85 12.997 -0.163 8.573 1.00 0.00 C ATOM 1320 CD LYS A 85 13.367 -1.311 9.502 1.00 0.00 C ATOM 1321 CE LYS A 85 14.177 -2.388 8.797 1.00 0.00 C ATOM 1322 NZ LYS A 85 14.564 -3.479 9.730 1.00 0.00 N ATOM 0 H LYS A 85 9.815 -0.820 7.945 1.00 0.00 H new ATOM 0 HA LYS A 85 11.505 1.384 7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.718 -1.577 7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.902 -0.841 6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.905 0.339 8.238 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.410 0.573 9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.939 -0.923 10.345 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.458 -1.752 9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.595 -2.802 7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.073 -1.945 8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.115 -4.196 9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.140 -3.087 10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.708 -3.918 10.125 1.00 0.00 H new ATOM 1336 N ILE A 86 9.927 -0.485 5.007 1.00 0.00 N ATOM 1337 CA ILE A 86 9.666 -0.675 3.592 1.00 0.00 C ATOM 1338 C ILE A 86 9.277 0.653 2.954 1.00 0.00 C ATOM 1339 O ILE A 86 9.612 0.925 1.802 1.00 0.00 O ATOM 1340 CB ILE A 86 8.572 -1.738 3.331 1.00 0.00 C ATOM 1341 CG1 ILE A 86 9.022 -3.093 3.883 1.00 0.00 C ATOM 1342 CG2 ILE A 86 8.255 -1.841 1.843 1.00 0.00 C ATOM 1343 CD1 ILE A 86 8.030 -4.213 3.650 1.00 0.00 C ATOM 0 H ILE A 86 9.261 -0.938 5.633 1.00 0.00 H new ATOM 0 HA ILE A 86 10.585 -1.045 3.137 1.00 0.00 H new ATOM 0 HB ILE A 86 7.660 -1.432 3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.973 -3.363 3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.200 -2.996 4.954 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.483 -2.595 1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.900 -0.877 1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.155 -2.125 1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.422 -5.139 4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.084 -3.967 4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.869 -4.340 2.579 1.00 0.00 H new ATOM 1355 N CYS A 87 8.599 1.493 3.722 1.00 0.00 N ATOM 1356 CA CYS A 87 8.285 2.841 3.273 1.00 0.00 C ATOM 1357 C CYS A 87 9.561 3.630 3.043 1.00 0.00 C ATOM 1358 O CYS A 87 9.636 4.472 2.153 1.00 0.00 O ATOM 1359 CB CYS A 87 7.400 3.558 4.290 1.00 0.00 C ATOM 1360 SG CYS A 87 7.102 5.315 3.913 1.00 0.00 S ATOM 0 H CYS A 87 8.257 1.266 4.656 1.00 0.00 H new ATOM 0 HA CYS A 87 7.740 2.769 2.332 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.441 3.043 4.348 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.862 3.482 5.274 1.00 0.00 H new ATOM 1365 N GLU A 88 10.570 3.317 3.832 1.00 0.00 N ATOM 1366 CA GLU A 88 11.867 3.945 3.707 1.00 0.00 C ATOM 1367 C GLU A 88 12.526 3.508 2.402 1.00 0.00 C ATOM 1368 O GLU A 88 13.222 4.286 1.746 1.00 0.00 O ATOM 1369 CB GLU A 88 12.712 3.551 4.905 1.00 0.00 C ATOM 1370 CG GLU A 88 14.127 4.097 4.888 1.00 0.00 C ATOM 1371 CD GLU A 88 14.931 3.633 6.082 1.00 0.00 C ATOM 1372 OE1 GLU A 88 14.678 4.121 7.202 1.00 0.00 O ATOM 1373 OE2 GLU A 88 15.812 2.765 5.910 1.00 0.00 O ATOM 0 H GLU A 88 10.512 2.621 4.576 1.00 0.00 H new ATOM 0 HA GLU A 88 11.765 5.030 3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.215 3.895 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.757 2.463 4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.626 3.782 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.094 5.186 4.875 1.00 0.00 H new ATOM 1380 N LYS A 89 12.278 2.260 2.022 1.00 0.00 N ATOM 1381 CA LYS A 89 12.762 1.729 0.757 1.00 0.00 C ATOM 1382 C LYS A 89 12.115 2.472 -0.409 1.00 0.00 C ATOM 1383 O LYS A 89 12.742 2.700 -1.441 1.00 0.00 O ATOM 1384 CB LYS A 89 12.463 0.234 0.652 1.00 0.00 C ATOM 1385 CG LYS A 89 13.109 -0.594 1.739 1.00 0.00 C ATOM 1386 CD LYS A 89 12.780 -2.060 1.567 1.00 0.00 C ATOM 1387 CE LYS A 89 12.779 -2.773 2.899 1.00 0.00 C ATOM 1388 NZ LYS A 89 12.457 -4.217 2.751 1.00 0.00 N ATOM 0 H LYS A 89 11.741 1.594 2.577 1.00 0.00 H new ATOM 0 HA LYS A 89 13.842 1.872 0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.384 0.085 0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 89 12.803 -0.128 -0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.190 -0.454 1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.765 -0.252 2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.804 -2.164 1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 89 13.508 -2.525 0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.756 -2.665 3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.052 -2.304 3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.416 -4.662 3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.537 -4.321 2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.193 -4.680 2.181 1.00 0.00 H new ATOM 1402 N LEU A 90 10.854 2.854 -0.225 1.00 0.00 N ATOM 1403 CA LEU A 90 10.110 3.590 -1.244 1.00 0.00 C ATOM 1404 C LEU A 90 10.500 5.065 -1.262 1.00 0.00 C ATOM 1405 O LEU A 90 10.681 5.651 -2.330 1.00 0.00 O ATOM 1406 CB LEU A 90 8.599 3.451 -1.020 1.00 0.00 C ATOM 1407 CG LEU A 90 7.930 2.254 -1.710 1.00 0.00 C ATOM 1408 CD1 LEU A 90 8.104 2.353 -3.216 1.00 0.00 C ATOM 1409 CD2 LEU A 90 8.491 0.937 -1.196 1.00 0.00 C ATOM 0 H LEU A 90 10.323 2.665 0.625 1.00 0.00 H new ATOM 0 HA LEU A 90 10.366 3.157 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.415 3.378 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.114 4.364 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 90 6.866 2.278 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.625 1.499 -3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.645 3.274 -3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.166 2.357 -3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.997 0.108 -1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.562 0.896 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.316 0.861 -0.123 1.00 0.00 H new ATOM 1421 N LYS A 91 10.644 5.664 -0.081 1.00 0.00 N ATOM 1422 CA LYS A 91 11.019 7.072 0.009 1.00 0.00 C ATOM 1423 C LYS A 91 12.467 7.273 -0.434 1.00 0.00 C ATOM 1424 O LYS A 91 12.906 8.400 -0.662 1.00 0.00 O ATOM 1425 CB LYS A 91 10.769 7.637 1.421 1.00 0.00 C ATOM 1426 CG LYS A 91 11.581 6.984 2.532 1.00 0.00 C ATOM 1427 CD LYS A 91 12.920 7.672 2.753 1.00 0.00 C ATOM 1428 CE LYS A 91 12.741 9.082 3.296 1.00 0.00 C ATOM 1429 NZ LYS A 91 14.045 9.744 3.553 1.00 0.00 N ATOM 0 H LYS A 91 10.508 5.201 0.818 1.00 0.00 H new ATOM 0 HA LYS A 91 10.381 7.635 -0.672 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.988 8.705 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.710 7.531 1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.007 7.006 3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.750 5.936 2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.520 7.087 3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.470 7.710 1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.166 9.675 2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.164 9.045 4.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.881 10.702 3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.583 9.192 4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.585 9.802 2.666 1.00 0.00 H new ATOM 1443 N LYS A 92 13.206 6.174 -0.540 1.00 0.00 N ATOM 1444 CA LYS A 92 14.533 6.195 -1.141 1.00 0.00 C ATOM 1445 C LYS A 92 14.438 6.686 -2.585 1.00 0.00 C ATOM 1446 O LYS A 92 15.294 7.431 -3.062 1.00 0.00 O ATOM 1447 CB LYS A 92 15.149 4.795 -1.097 1.00 0.00 C ATOM 1448 CG LYS A 92 16.555 4.716 -1.666 1.00 0.00 C ATOM 1449 CD LYS A 92 17.127 3.315 -1.531 1.00 0.00 C ATOM 1450 CE LYS A 92 16.322 2.295 -2.323 1.00 0.00 C ATOM 1451 NZ LYS A 92 16.466 2.487 -3.790 1.00 0.00 N ATOM 0 H LYS A 92 12.906 5.254 -0.216 1.00 0.00 H new ATOM 0 HA LYS A 92 15.171 6.875 -0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 92 15.168 4.451 -0.063 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.506 4.110 -1.650 1.00 0.00 H new ATOM 0 HG2 LYS A 92 16.541 5.006 -2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.200 5.426 -1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 92 18.161 3.310 -1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 92 17.142 3.029 -0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.648 1.290 -2.056 1.00 0.00 H new ATOM 0 HE3 LYS A 92 15.270 2.372 -2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 15.985 1.712 -4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 16.039 3.394 -4.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.475 2.489 -4.042 1.00 0.00 H new ATOM 1465 N LEU A 93 13.373 6.277 -3.267 1.00 0.00 N ATOM 1466 CA LEU A 93 13.117 6.721 -4.630 1.00 0.00 C ATOM 1467 C LEU A 93 12.519 8.120 -4.613 1.00 0.00 C ATOM 1468 O LEU A 93 12.945 9.003 -5.358 1.00 0.00 O ATOM 1469 CB LEU A 93 12.160 5.763 -5.359 1.00 0.00 C ATOM 1470 CG LEU A 93 12.723 4.381 -5.721 1.00 0.00 C ATOM 1471 CD1 LEU A 93 12.951 3.532 -4.481 1.00 0.00 C ATOM 1472 CD2 LEU A 93 11.784 3.666 -6.680 1.00 0.00 C ATOM 0 H LEU A 93 12.672 5.636 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 93 14.067 6.730 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.278 5.620 -4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.825 6.247 -6.277 1.00 0.00 H new ATOM 0 HG LEU A 93 13.687 4.530 -6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.350 2.561 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.661 4.033 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.006 3.393 -3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.194 2.687 -6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.809 3.542 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.675 4.256 -7.590 1.00 0.00 H new ATOM 1484 N ASP A 94 11.534 8.314 -3.747 1.00 0.00 N ATOM 1485 CA ASP A 94 10.869 9.602 -3.610 1.00 0.00 C ATOM 1486 C ASP A 94 10.544 9.866 -2.144 1.00 0.00 C ATOM 1487 O ASP A 94 9.663 9.228 -1.573 1.00 0.00 O ATOM 1488 CB ASP A 94 9.588 9.627 -4.446 1.00 0.00 C ATOM 1489 CG ASP A 94 8.925 10.987 -4.453 1.00 0.00 C ATOM 1490 OD1 ASP A 94 8.157 11.287 -3.520 1.00 0.00 O ATOM 1491 OD2 ASP A 94 9.163 11.761 -5.405 1.00 0.00 O ATOM 0 H ASP A 94 11.176 7.590 -3.125 1.00 0.00 H new ATOM 0 HA ASP A 94 11.537 10.384 -3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 94 9.821 9.335 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 94 8.889 8.888 -4.055 1.00 0.00 H new ATOM 1496 N SER A 95 11.265 10.795 -1.532 1.00 0.00 N ATOM 1497 CA SER A 95 11.119 11.061 -0.106 1.00 0.00 C ATOM 1498 C SER A 95 9.813 11.803 0.188 1.00 0.00 C ATOM 1499 O SER A 95 9.338 11.819 1.329 1.00 0.00 O ATOM 1500 CB SER A 95 12.322 11.861 0.404 1.00 0.00 C ATOM 1501 OG SER A 95 12.339 11.928 1.821 1.00 0.00 O ATOM 0 H SER A 95 11.958 11.378 -2.001 1.00 0.00 H new ATOM 0 HA SER A 95 11.082 10.106 0.419 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.244 11.400 0.049 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.291 12.869 -0.009 1.00 0.00 H new ATOM 0 HG SER A 95 13.119 12.443 2.115 1.00 0.00 H new ATOM 1507 N GLN A 96 9.217 12.386 -0.849 1.00 0.00 N ATOM 1508 CA GLN A 96 7.978 13.140 -0.696 1.00 0.00 C ATOM 1509 C GLN A 96 6.825 12.211 -0.329 1.00 0.00 C ATOM 1510 O GLN A 96 5.804 12.653 0.191 1.00 0.00 O ATOM 1511 CB GLN A 96 7.655 13.906 -1.980 1.00 0.00 C ATOM 1512 CG GLN A 96 8.744 14.882 -2.395 1.00 0.00 C ATOM 1513 CD GLN A 96 8.402 15.649 -3.658 1.00 0.00 C ATOM 1514 OE1 GLN A 96 7.641 15.032 -4.547 1.00 0.00 O flip ATOM 1515 NE2 GLN A 96 8.824 16.791 -3.834 1.00 0.00 N flip ATOM 0 H GLN A 96 9.573 12.350 -1.804 1.00 0.00 H new ATOM 0 HA GLN A 96 8.113 13.858 0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.491 13.193 -2.788 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.722 14.452 -1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.920 15.588 -1.584 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.675 14.336 -2.549 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.409 17.234 -3.125 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.589 17.295 -4.689 1.00 0.00 H new ATOM 1524 N ILE A 97 7.000 10.922 -0.612 1.00 0.00 N ATOM 1525 CA ILE A 97 6.050 9.897 -0.186 1.00 0.00 C ATOM 1526 C ILE A 97 5.875 9.936 1.327 1.00 0.00 C ATOM 1527 O ILE A 97 4.758 9.958 1.847 1.00 0.00 O ATOM 1528 CB ILE A 97 6.536 8.484 -0.585 1.00 0.00 C ATOM 1529 CG1 ILE A 97 6.669 8.369 -2.101 1.00 0.00 C ATOM 1530 CG2 ILE A 97 5.586 7.419 -0.051 1.00 0.00 C ATOM 1531 CD1 ILE A 97 7.253 7.050 -2.565 1.00 0.00 C ATOM 0 H ILE A 97 7.796 10.561 -1.138 1.00 0.00 H new ATOM 0 HA ILE A 97 5.102 10.105 -0.681 1.00 0.00 H new ATOM 0 HB ILE A 97 7.518 8.323 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.686 8.500 -2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.298 9.182 -2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.945 6.432 -0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.542 7.483 1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.590 7.579 -0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.317 7.043 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.250 6.925 -2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.613 6.232 -2.234 1.00 0.00 H new ATOM 1543 N CYS A 98 6.995 9.959 2.025 1.00 0.00 N ATOM 1544 CA CYS A 98 6.984 9.938 3.472 1.00 0.00 C ATOM 1545 C CYS A 98 6.677 11.333 4.007 1.00 0.00 C ATOM 1546 O CYS A 98 5.781 11.515 4.838 1.00 0.00 O ATOM 1547 CB CYS A 98 8.333 9.439 3.998 1.00 0.00 C ATOM 1548 SG CYS A 98 8.212 8.311 5.426 1.00 0.00 S ATOM 0 H CYS A 98 7.926 9.992 1.610 1.00 0.00 H new ATOM 0 HA CYS A 98 6.207 9.256 3.818 1.00 0.00 H new ATOM 0 HB2 CYS A 98 8.858 8.929 3.191 1.00 0.00 H new ATOM 0 HB3 CYS A 98 8.940 10.299 4.280 1.00 0.00 H new ATOM 1553 N GLU A 99 7.387 12.323 3.486 1.00 0.00 N ATOM 1554 CA GLU A 99 7.253 13.695 3.954 1.00 0.00 C ATOM 1555 C GLU A 99 6.137 14.422 3.208 1.00 0.00 C ATOM 1556 O GLU A 99 6.252 15.603 2.887 1.00 0.00 O ATOM 1557 CB GLU A 99 8.580 14.432 3.780 1.00 0.00 C ATOM 1558 CG GLU A 99 9.739 13.758 4.498 1.00 0.00 C ATOM 1559 CD GLU A 99 9.578 13.763 6.003 1.00 0.00 C ATOM 1560 OE1 GLU A 99 8.810 12.935 6.532 1.00 0.00 O ATOM 1561 OE2 GLU A 99 10.238 14.592 6.671 1.00 0.00 O ATOM 0 H GLU A 99 8.066 12.200 2.734 1.00 0.00 H new ATOM 0 HA GLU A 99 6.990 13.677 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.812 14.503 2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.474 15.451 4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.827 12.729 4.150 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.668 14.264 4.235 1.00 0.00 H new ATOM 1568 N LEU A 100 5.062 13.700 2.925 1.00 0.00 N ATOM 1569 CA LEU A 100 3.900 14.276 2.265 1.00 0.00 C ATOM 1570 C LEU A 100 3.134 15.151 3.255 1.00 0.00 C ATOM 1571 O LEU A 100 2.942 16.343 3.019 1.00 0.00 O ATOM 1572 CB LEU A 100 3.000 13.159 1.727 1.00 0.00 C ATOM 1573 CG LEU A 100 1.915 13.600 0.741 1.00 0.00 C ATOM 1574 CD1 LEU A 100 2.538 14.132 -0.541 1.00 0.00 C ATOM 1575 CD2 LEU A 100 0.976 12.446 0.432 1.00 0.00 C ATOM 0 H LEU A 100 4.971 12.708 3.144 1.00 0.00 H new ATOM 0 HA LEU A 100 4.224 14.892 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.628 12.414 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.519 12.666 2.572 1.00 0.00 H new ATOM 0 HG LEU A 100 1.340 14.402 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.750 14.440 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.172 14.988 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.139 13.350 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.211 12.777 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.541 11.625 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.501 12.107 1.353 1.00 0.00 H new ATOM 1587 N LYS A 101 2.730 14.535 4.368 1.00 0.00 N ATOM 1588 CA LYS A 101 2.037 15.215 5.473 1.00 0.00 C ATOM 1589 C LYS A 101 0.660 15.742 5.056 1.00 0.00 C ATOM 1590 O LYS A 101 0.526 16.529 4.118 1.00 0.00 O ATOM 1591 CB LYS A 101 2.907 16.337 6.057 1.00 0.00 C ATOM 1592 CG LYS A 101 4.261 15.851 6.569 1.00 0.00 C ATOM 1593 CD LYS A 101 4.132 14.526 7.312 1.00 0.00 C ATOM 1594 CE LYS A 101 5.469 14.030 7.843 1.00 0.00 C ATOM 1595 NZ LYS A 101 5.886 14.745 9.076 1.00 0.00 N ATOM 0 H LYS A 101 2.875 13.539 4.533 1.00 0.00 H new ATOM 0 HA LYS A 101 1.868 14.472 6.253 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.068 17.097 5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.368 16.816 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.948 15.734 5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.692 16.601 7.232 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.435 14.643 8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.708 13.777 6.643 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.401 12.962 8.050 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.232 14.158 7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.802 14.373 9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.977 15.761 8.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.172 14.602 9.818 1.00 0.00 H new ATOM 1609 N TYR A 102 -0.368 15.286 5.778 1.00 0.00 N ATOM 1610 CA TYR A 102 -1.749 15.692 5.515 1.00 0.00 C ATOM 1611 C TYR A 102 -1.900 17.191 5.697 1.00 0.00 C ATOM 1612 O TYR A 102 -2.272 17.911 4.773 1.00 0.00 O ATOM 1613 CB TYR A 102 -2.724 14.981 6.458 1.00 0.00 C ATOM 1614 CG TYR A 102 -2.842 13.491 6.245 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -3.740 12.972 5.322 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -2.073 12.602 6.983 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -3.864 11.608 5.137 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -2.195 11.239 6.807 1.00 0.00 C ATOM 1619 CZ TYR A 102 -3.090 10.747 5.882 1.00 0.00 C ATOM 1620 OH TYR A 102 -3.223 9.389 5.718 1.00 0.00 O ATOM 0 H TYR A 102 -0.267 14.631 6.554 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.982 15.416 4.487 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.410 15.163 7.486 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.711 15.429 6.342 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.351 13.645 4.739 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.368 12.983 7.707 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.564 11.220 4.412 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.592 10.561 7.392 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.052 9.198 5.231 1.00 0.00 H new