USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 628 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 87 HIS : no HD1:sc= -0.982 K(o=-0.94,f=-0.021) USER MOD Set 1.2: A 90 LYS NZ :NH3+ -160:sc= 0.0451 (180deg=0) USER MOD Set 2.1: A 56 THR OG1 : rot -27:sc= 1.04 USER MOD Set 2.2: A 59 ASN : amide:sc= 1.29 K(o=2.3,f=-7.5!) USER MOD Set 3.1: A 50 LYS NZ :NH3+ -114:sc= 0.163 (180deg=0) USER MOD Set 3.2: A 60 TYR OH : rot 180:sc= 0.157 USER MOD Single : A 42 THR OG1 : rot 170:sc= 0.408 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 53 MET CE :methyl -170:sc= -0.103 (180deg=-0.144) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.0245 K(o=0.024,f=-1.2) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -89:sc= 1.69 USER MOD Single : A 68 ASN : amide:sc= 0.196 K(o=0.2,f=-1.1) USER MOD Single : A 69 ASN : amide:sc= -0.0753 K(o=-0.075,f=-1.2!) USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= 0.655 (180deg=0.621) USER MOD Single : A 74 THR OG1 : rot 155:sc= 0.175 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 95 ASN : amide:sc= -0.0201 K(o=-0.02,f=-1.2!) USER MOD Single : A 96 GLN : amide:sc= -0.0709 X(o=-0.071,f=-0.096) USER MOD Single : A 101 SER OG : rot 180:sc= 0.652 USER MOD Single : A 106 LYS NZ :NH3+ 179:sc= 0.752 (180deg=0.751) USER MOD Single : A 107 ASN : amide:sc=-0.00673 X(o=-0.0067,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N VAL A 38 -2.783 -8.651 -13.329 1.00 0.00 N ATOM 148 CA VAL A 38 -3.430 -7.805 -12.333 1.00 0.00 C ATOM 149 C VAL A 38 -3.286 -6.329 -12.689 1.00 0.00 C ATOM 150 O VAL A 38 -2.749 -5.983 -13.741 1.00 0.00 O ATOM 151 CB VAL A 38 -2.849 -8.043 -10.926 1.00 0.00 C ATOM 152 CG1 VAL A 38 -3.064 -9.488 -10.500 1.00 0.00 C ATOM 153 CG2 VAL A 38 -1.369 -7.695 -10.894 1.00 0.00 C ATOM 0 HA VAL A 38 -4.486 -8.074 -12.329 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.371 -7.393 -10.223 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.648 -9.639 -9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.132 -9.708 -10.485 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.567 -10.153 -11.206 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.976 -7.869 -9.892 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.833 -8.320 -11.608 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.236 -6.646 -11.158 1.00 0.00 H new ATOM 163 N ARG A 39 -3.769 -5.464 -11.805 1.00 0.00 N ATOM 164 CA ARG A 39 -3.829 -4.035 -12.089 1.00 0.00 C ATOM 165 C ARG A 39 -2.446 -3.400 -11.983 1.00 0.00 C ATOM 166 O ARG A 39 -1.680 -3.708 -11.070 1.00 0.00 O ATOM 167 CB ARG A 39 -4.844 -3.317 -11.212 1.00 0.00 C ATOM 168 CG ARG A 39 -6.266 -3.845 -11.316 1.00 0.00 C ATOM 169 CD ARG A 39 -6.884 -3.682 -12.657 1.00 0.00 C ATOM 170 NE ARG A 39 -6.991 -2.304 -13.107 1.00 0.00 N ATOM 171 CZ ARG A 39 -8.013 -1.478 -12.807 1.00 0.00 C ATOM 172 NH1 ARG A 39 -9.033 -1.896 -12.089 1.00 0.00 N ATOM 173 NH2 ARG A 39 -7.975 -0.242 -13.273 1.00 0.00 N ATOM 0 H ARG A 39 -4.125 -5.727 -10.886 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.172 -3.923 -13.117 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.520 -3.388 -10.174 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.845 -2.259 -11.474 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.268 -4.903 -11.055 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.885 -3.334 -10.579 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.298 -4.244 -13.384 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.880 -4.124 -12.640 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.240 -1.936 -13.691 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.058 -2.858 -11.751 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.798 -1.258 -11.871 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.187 0.064 -13.843 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.734 0.406 -13.063 1.00 0.00 H new ATOM 187 N GLU A 40 -2.133 -2.513 -12.923 1.00 0.00 N ATOM 188 CA GLU A 40 -0.755 -2.091 -13.146 1.00 0.00 C ATOM 189 C GLU A 40 -0.358 -0.989 -12.168 1.00 0.00 C ATOM 190 O GLU A 40 -1.155 -0.576 -11.325 1.00 0.00 O ATOM 191 CB GLU A 40 -0.566 -1.612 -14.587 1.00 0.00 C ATOM 192 CG GLU A 40 -1.334 -0.344 -14.934 1.00 0.00 C ATOM 193 CD GLU A 40 -1.147 0.029 -16.379 1.00 0.00 C ATOM 194 OE1 GLU A 40 -0.451 -0.675 -17.069 1.00 0.00 O ATOM 195 OE2 GLU A 40 -1.790 0.953 -16.820 1.00 0.00 O ATOM 0 H GLU A 40 -2.814 -2.073 -13.542 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.108 -2.951 -12.975 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.496 -1.439 -14.763 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.876 -2.407 -15.265 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.394 -0.490 -14.728 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.996 0.474 -14.298 1.00 0.00 H new ATOM 202 N LEU A 41 0.878 -0.517 -12.288 1.00 0.00 N ATOM 203 CA LEU A 41 1.465 0.354 -11.275 1.00 0.00 C ATOM 204 C LEU A 41 1.918 1.675 -11.890 1.00 0.00 C ATOM 205 O LEU A 41 3.111 1.907 -12.079 1.00 0.00 O ATOM 206 CB LEU A 41 2.642 -0.349 -10.588 1.00 0.00 C ATOM 207 CG LEU A 41 2.336 -1.749 -10.039 1.00 0.00 C ATOM 208 CD1 LEU A 41 3.624 -2.425 -9.587 1.00 0.00 C ATOM 209 CD2 LEU A 41 1.352 -1.640 -8.885 1.00 0.00 C ATOM 0 H LEU A 41 1.493 -0.722 -13.076 1.00 0.00 H new ATOM 0 HA LEU A 41 0.702 0.572 -10.527 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.464 -0.427 -11.300 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.990 0.278 -9.767 1.00 0.00 H new ATOM 0 HG LEU A 41 1.888 -2.357 -10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.397 -3.418 -9.199 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.305 -2.513 -10.433 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.093 -1.828 -8.805 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.136 -2.635 -8.496 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.785 -1.028 -8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.429 -1.179 -9.236 1.00 0.00 H new ATOM 221 N THR A 42 0.956 2.539 -12.198 1.00 0.00 N ATOM 222 CA THR A 42 1.257 3.854 -12.749 1.00 0.00 C ATOM 223 C THR A 42 1.411 4.891 -11.642 1.00 0.00 C ATOM 224 O THR A 42 0.872 4.747 -10.545 1.00 0.00 O ATOM 225 CB THR A 42 0.165 4.321 -13.729 1.00 0.00 C ATOM 226 OG1 THR A 42 -1.074 4.483 -13.025 1.00 0.00 O ATOM 227 CG2 THR A 42 -0.020 3.305 -14.845 1.00 0.00 C ATOM 0 H THR A 42 -0.039 2.351 -12.075 1.00 0.00 H new ATOM 0 HA THR A 42 2.199 3.760 -13.290 1.00 0.00 H new ATOM 0 HB THR A 42 0.471 5.272 -14.165 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.724 4.931 -13.606 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.796 3.652 -15.528 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.917 3.188 -15.389 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.314 2.346 -14.419 1.00 0.00 H new ATOM 235 N PRO A 43 2.161 5.964 -11.935 1.00 0.00 N ATOM 236 CA PRO A 43 2.333 7.086 -11.009 1.00 0.00 C ATOM 237 C PRO A 43 1.021 7.810 -10.726 1.00 0.00 C ATOM 238 O PRO A 43 0.913 8.559 -9.755 1.00 0.00 O ATOM 239 CB PRO A 43 3.345 7.995 -11.715 1.00 0.00 C ATOM 240 CG PRO A 43 3.201 7.658 -13.160 1.00 0.00 C ATOM 241 CD PRO A 43 2.903 6.183 -13.198 1.00 0.00 C ATOM 0 HA PRO A 43 2.676 6.759 -10.027 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.131 9.048 -11.529 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.360 7.809 -11.363 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.397 8.233 -13.619 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.113 7.889 -13.710 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.306 5.914 -14.069 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.815 5.587 -13.240 1.00 0.00 H new ATOM 249 N GLN A 44 0.028 7.582 -11.580 1.00 0.00 N ATOM 250 CA GLN A 44 -1.278 8.207 -11.416 1.00 0.00 C ATOM 251 C GLN A 44 -2.164 7.383 -10.488 1.00 0.00 C ATOM 252 O GLN A 44 -2.809 7.923 -9.590 1.00 0.00 O ATOM 253 CB GLN A 44 -1.967 8.379 -12.773 1.00 0.00 C ATOM 254 CG GLN A 44 -3.300 9.104 -12.708 1.00 0.00 C ATOM 255 CD GLN A 44 -3.905 9.328 -14.080 1.00 0.00 C ATOM 256 OE1 GLN A 44 -3.353 8.896 -15.096 1.00 0.00 O ATOM 257 NE2 GLN A 44 -5.044 10.011 -14.120 1.00 0.00 N ATOM 0 H GLN A 44 0.104 6.969 -12.392 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.124 9.189 -10.969 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.301 8.927 -13.439 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.123 7.395 -13.216 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.995 8.527 -12.098 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.164 10.065 -12.213 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.466 10.350 -13.255 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.496 10.196 -15.015 1.00 0.00 H new ATOM 266 N GLU A 45 -2.190 6.073 -10.712 1.00 0.00 N ATOM 267 CA GLU A 45 -3.052 5.183 -9.943 1.00 0.00 C ATOM 268 C GLU A 45 -2.519 5.001 -8.526 1.00 0.00 C ATOM 269 O GLU A 45 -3.286 4.943 -7.563 1.00 0.00 O ATOM 270 CB GLU A 45 -3.180 3.826 -10.637 1.00 0.00 C ATOM 271 CG GLU A 45 -4.012 3.848 -11.912 1.00 0.00 C ATOM 272 CD GLU A 45 -4.012 2.504 -12.587 1.00 0.00 C ATOM 273 OE1 GLU A 45 -3.347 1.619 -12.107 1.00 0.00 O ATOM 274 OE2 GLU A 45 -4.765 2.329 -13.517 1.00 0.00 O ATOM 0 H GLU A 45 -1.624 5.605 -11.420 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.040 5.640 -9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.182 3.458 -10.875 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.624 3.115 -9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.036 4.139 -11.676 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.616 4.600 -12.594 1.00 0.00 H new ATOM 281 N LEU A 46 -1.199 4.912 -8.402 1.00 0.00 N ATOM 282 CA LEU A 46 -0.570 4.554 -7.136 1.00 0.00 C ATOM 283 C LEU A 46 -0.784 5.647 -6.093 1.00 0.00 C ATOM 284 O LEU A 46 -0.739 5.388 -4.892 1.00 0.00 O ATOM 285 CB LEU A 46 0.927 4.293 -7.340 1.00 0.00 C ATOM 286 CG LEU A 46 1.265 3.070 -8.201 1.00 0.00 C ATOM 287 CD1 LEU A 46 2.768 2.999 -8.440 1.00 0.00 C ATOM 288 CD2 LEU A 46 0.769 1.809 -7.511 1.00 0.00 C ATOM 0 H LEU A 46 -0.543 5.083 -9.164 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.037 3.640 -6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.374 5.175 -7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.395 4.170 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 46 0.770 3.158 -9.168 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.998 2.127 -9.052 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.098 3.901 -8.955 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.285 2.918 -7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.010 0.940 -8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.252 1.712 -6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.311 1.869 -7.375 1.00 0.00 H new ATOM 300 N GLU A 47 -1.019 6.868 -6.564 1.00 0.00 N ATOM 301 CA GLU A 47 -1.172 8.012 -5.673 1.00 0.00 C ATOM 302 C GLU A 47 -2.356 7.814 -4.731 1.00 0.00 C ATOM 303 O GLU A 47 -2.354 8.304 -3.601 1.00 0.00 O ATOM 304 CB GLU A 47 -1.348 9.301 -6.478 1.00 0.00 C ATOM 305 CG GLU A 47 -0.067 9.826 -7.112 1.00 0.00 C ATOM 306 CD GLU A 47 -0.349 10.965 -8.051 1.00 0.00 C ATOM 307 OE1 GLU A 47 -1.499 11.275 -8.251 1.00 0.00 O ATOM 308 OE2 GLU A 47 0.585 11.599 -8.482 1.00 0.00 O ATOM 0 H GLU A 47 -1.107 7.090 -7.556 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.266 8.095 -5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.083 9.127 -7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.757 10.071 -5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.618 10.157 -6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.430 9.021 -7.653 1.00 0.00 H new ATOM 315 N LEU A 48 -3.366 7.092 -5.204 1.00 0.00 N ATOM 316 CA LEU A 48 -4.577 6.864 -4.421 1.00 0.00 C ATOM 317 C LEU A 48 -4.264 6.069 -3.157 1.00 0.00 C ATOM 318 O LEU A 48 -4.928 6.226 -2.133 1.00 0.00 O ATOM 319 CB LEU A 48 -5.618 6.121 -5.261 1.00 0.00 C ATOM 320 CG LEU A 48 -5.392 4.618 -5.434 1.00 0.00 C ATOM 321 CD1 LEU A 48 -5.896 3.859 -4.216 1.00 0.00 C ATOM 322 CD2 LEU A 48 -6.078 4.119 -6.698 1.00 0.00 C ATOM 0 H LEU A 48 -3.371 6.654 -6.125 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.981 7.833 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.597 6.271 -4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.652 6.579 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.321 4.439 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.727 2.791 -4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.360 4.197 -3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.963 4.044 -4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.907 3.048 -6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.149 4.311 -6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.670 4.641 -7.564 1.00 0.00 H new ATOM 334 N PHE A 49 -3.249 5.215 -3.237 1.00 0.00 N ATOM 335 CA PHE A 49 -2.852 4.391 -2.102 1.00 0.00 C ATOM 336 C PHE A 49 -2.302 5.254 -0.969 1.00 0.00 C ATOM 337 O PHE A 49 -2.826 5.245 0.145 1.00 0.00 O ATOM 338 CB PHE A 49 -1.812 3.354 -2.530 1.00 0.00 C ATOM 339 CG PHE A 49 -1.309 2.498 -1.402 1.00 0.00 C ATOM 340 CD1 PHE A 49 -2.019 1.378 -0.993 1.00 0.00 C ATOM 341 CD2 PHE A 49 -0.129 2.810 -0.747 1.00 0.00 C ATOM 342 CE1 PHE A 49 -1.559 0.590 0.044 1.00 0.00 C ATOM 343 CE2 PHE A 49 0.335 2.024 0.289 1.00 0.00 C ATOM 344 CZ PHE A 49 -0.381 0.912 0.686 1.00 0.00 C ATOM 0 H PHE A 49 -2.686 5.076 -4.076 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.737 3.869 -1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.247 2.711 -3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.967 3.868 -2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.942 1.120 -1.491 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.435 3.679 -1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.122 -0.279 0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.258 2.279 0.789 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.020 0.296 1.497 1.00 0.00 H new ATOM 354 N LYS A 50 -1.242 6.000 -1.263 1.00 0.00 N ATOM 355 CA LYS A 50 -0.622 6.872 -0.273 1.00 0.00 C ATOM 356 C LYS A 50 -1.582 7.977 0.157 1.00 0.00 C ATOM 357 O LYS A 50 -1.477 8.507 1.263 1.00 0.00 O ATOM 358 CB LYS A 50 0.670 7.478 -0.824 1.00 0.00 C ATOM 359 CG LYS A 50 0.478 8.347 -2.060 1.00 0.00 C ATOM 360 CD LYS A 50 1.792 8.970 -2.508 1.00 0.00 C ATOM 361 CE LYS A 50 1.606 9.820 -3.756 1.00 0.00 C ATOM 362 NZ LYS A 50 2.884 10.433 -4.208 1.00 0.00 N ATOM 0 H LYS A 50 -0.795 6.018 -2.179 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.379 6.269 0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.139 8.076 -0.043 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.362 6.671 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.064 7.746 -2.869 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.245 9.134 -1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.198 9.585 -1.704 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.520 8.184 -2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.196 9.204 -4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.878 10.606 -3.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.829 11.466 -4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.668 10.069 -3.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.050 10.193 -5.206 1.00 0.00 H new ATOM 376 N ARG A 51 -2.515 8.318 -0.724 1.00 0.00 N ATOM 377 CA ARG A 51 -3.581 9.254 -0.385 1.00 0.00 C ATOM 378 C ARG A 51 -4.463 8.695 0.727 1.00 0.00 C ATOM 379 O ARG A 51 -4.754 9.382 1.706 1.00 0.00 O ATOM 380 CB ARG A 51 -4.401 9.658 -1.601 1.00 0.00 C ATOM 381 CG ARG A 51 -5.480 10.695 -1.329 1.00 0.00 C ATOM 382 CD ARG A 51 -6.230 11.129 -2.536 1.00 0.00 C ATOM 383 NE ARG A 51 -7.275 12.106 -2.277 1.00 0.00 N ATOM 384 CZ ARG A 51 -8.107 12.603 -3.213 1.00 0.00 C ATOM 385 NH1 ARG A 51 -7.996 12.249 -4.475 1.00 0.00 N ATOM 386 NH2 ARG A 51 -9.022 13.477 -2.833 1.00 0.00 N ATOM 0 H ARG A 51 -2.555 7.961 -1.678 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.108 10.163 -0.014 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.726 10.048 -2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.871 8.767 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.185 10.287 -0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.020 11.569 -0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.526 11.550 -3.254 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.677 10.253 -3.005 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.386 12.439 -1.319 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.272 11.589 -4.758 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.634 12.635 -5.171 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.084 13.758 -1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.666 13.871 -3.518 1.00 0.00 H new ATOM 400 N ALA A 52 -4.886 7.446 0.568 1.00 0.00 N ATOM 401 CA ALA A 52 -5.811 6.827 1.509 1.00 0.00 C ATOM 402 C ALA A 52 -5.144 6.587 2.858 1.00 0.00 C ATOM 403 O ALA A 52 -5.793 6.654 3.902 1.00 0.00 O ATOM 404 CB ALA A 52 -6.345 5.520 0.942 1.00 0.00 C ATOM 0 H ALA A 52 -4.603 6.842 -0.204 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.645 7.511 1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.035 5.069 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.868 5.716 0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.515 4.837 0.758 1.00 0.00 H new ATOM 410 N MET A 53 -3.845 6.305 2.830 1.00 0.00 N ATOM 411 CA MET A 53 -3.095 6.037 4.051 1.00 0.00 C ATOM 412 C MET A 53 -2.803 7.331 4.804 1.00 0.00 C ATOM 413 O MET A 53 -2.453 7.308 5.984 1.00 0.00 O ATOM 414 CB MET A 53 -1.785 5.318 3.722 1.00 0.00 C ATOM 415 CG MET A 53 -1.982 3.918 3.166 1.00 0.00 C ATOM 416 SD MET A 53 -2.718 2.791 4.366 1.00 0.00 S ATOM 417 CE MET A 53 -2.556 1.228 3.507 1.00 0.00 C ATOM 0 H MET A 53 -3.291 6.256 1.975 1.00 0.00 H new ATOM 0 HA MET A 53 -3.703 5.395 4.689 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.226 5.912 2.999 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.176 5.259 4.624 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.619 3.968 2.283 1.00 0.00 H new ATOM 0 HG3 MET A 53 -1.020 3.521 2.843 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.121 0.461 4.037 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.943 1.328 2.493 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.505 0.942 3.468 1.00 0.00 H new ATOM 427 N GLY A 54 -2.951 8.458 4.115 1.00 0.00 N ATOM 428 CA GLY A 54 -2.665 9.744 4.724 1.00 0.00 C ATOM 429 C GLY A 54 -1.185 9.950 4.979 1.00 0.00 C ATOM 430 O GLY A 54 -0.798 10.553 5.980 1.00 0.00 O ATOM 0 H GLY A 54 -3.264 8.504 3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.033 10.539 4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.207 9.825 5.666 1.00 0.00 H new ATOM 434 N ILE A 55 -0.355 9.447 4.071 1.00 0.00 N ATOM 435 CA ILE A 55 1.086 9.425 4.284 1.00 0.00 C ATOM 436 C ILE A 55 1.676 10.828 4.193 1.00 0.00 C ATOM 437 O ILE A 55 1.429 11.557 3.230 1.00 0.00 O ATOM 438 CB ILE A 55 1.795 8.512 3.266 1.00 0.00 C ATOM 439 CG1 ILE A 55 1.344 7.060 3.448 1.00 0.00 C ATOM 440 CG2 ILE A 55 3.304 8.627 3.409 1.00 0.00 C ATOM 441 CD1 ILE A 55 1.812 6.134 2.349 1.00 0.00 C ATOM 0 H ILE A 55 -0.656 9.050 3.181 1.00 0.00 H new ATOM 0 HA ILE A 55 1.250 9.029 5.286 1.00 0.00 H new ATOM 0 HB ILE A 55 1.521 8.834 2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.715 6.691 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.255 7.031 3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.789 7.975 2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.609 9.658 3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.598 8.330 4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.454 5.124 2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.419 6.477 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.901 6.132 2.314 1.00 0.00 H new ATOM 453 N THR A 56 2.461 11.202 5.199 1.00 0.00 N ATOM 454 CA THR A 56 2.990 12.556 5.293 1.00 0.00 C ATOM 455 C THR A 56 4.416 12.626 4.759 1.00 0.00 C ATOM 456 O THR A 56 5.119 11.621 4.662 1.00 0.00 O ATOM 457 CB THR A 56 2.969 13.072 6.744 1.00 0.00 C ATOM 458 OG1 THR A 56 3.917 12.337 7.529 1.00 0.00 O ATOM 459 CG2 THR A 56 1.583 12.909 7.347 1.00 0.00 C ATOM 0 H THR A 56 2.744 10.585 5.960 1.00 0.00 H new ATOM 0 HA THR A 56 2.345 13.189 4.684 1.00 0.00 H new ATOM 0 HB THR A 56 3.231 14.130 6.742 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.039 11.444 7.144 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.587 13.279 8.372 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.861 13.476 6.759 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.306 11.855 7.342 1.00 0.00 H new ATOM 467 N PRO A 57 4.856 13.843 4.405 1.00 0.00 N ATOM 468 CA PRO A 57 6.224 14.085 3.936 1.00 0.00 C ATOM 469 C PRO A 57 7.271 13.701 4.977 1.00 0.00 C ATOM 470 O PRO A 57 8.443 13.510 4.653 1.00 0.00 O ATOM 471 CB PRO A 57 6.249 15.586 3.630 1.00 0.00 C ATOM 472 CG PRO A 57 5.113 16.144 4.416 1.00 0.00 C ATOM 473 CD PRO A 57 4.049 15.079 4.391 1.00 0.00 C ATOM 0 HA PRO A 57 6.473 13.476 3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.196 16.036 3.927 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.126 15.776 2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.417 16.372 5.438 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.750 17.073 3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.386 15.144 5.254 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.423 15.148 3.502 1.00 0.00 H new ATOM 481 N HIS A 58 6.839 13.591 6.230 1.00 0.00 N ATOM 482 CA HIS A 58 7.719 13.148 7.305 1.00 0.00 C ATOM 483 C HIS A 58 8.034 11.661 7.172 1.00 0.00 C ATOM 484 O HIS A 58 9.196 11.258 7.209 1.00 0.00 O ATOM 485 CB HIS A 58 7.091 13.432 8.674 1.00 0.00 C ATOM 486 CG HIS A 58 7.912 12.942 9.826 1.00 0.00 C ATOM 487 ND1 HIS A 58 9.085 13.553 10.216 1.00 0.00 N ATOM 488 CD2 HIS A 58 7.730 11.901 10.671 1.00 0.00 C ATOM 489 CE1 HIS A 58 9.590 12.908 11.254 1.00 0.00 C ATOM 490 NE2 HIS A 58 8.787 11.902 11.549 1.00 0.00 N ATOM 0 H HIS A 58 5.886 13.802 6.525 1.00 0.00 H new ATOM 0 HA HIS A 58 8.650 13.709 7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.939 14.506 8.778 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.107 12.965 8.716 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.908 11.201 10.658 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.503 13.161 11.772 1.00 0.00 H new ATOM 0 HE2 HIS A 58 8.929 11.234 12.306 1.00 0.00 H new ATOM 498 N ASN A 59 6.991 10.851 7.017 1.00 0.00 N ATOM 499 CA ASN A 59 7.156 9.409 6.884 1.00 0.00 C ATOM 500 C ASN A 59 6.929 8.966 5.441 1.00 0.00 C ATOM 501 O ASN A 59 6.642 7.797 5.179 1.00 0.00 O ATOM 502 CB ASN A 59 6.230 8.654 7.820 1.00 0.00 C ATOM 503 CG ASN A 59 4.771 8.864 7.525 1.00 0.00 C ATOM 504 OD1 ASN A 59 4.398 9.704 6.699 1.00 0.00 O ATOM 505 ND2 ASN A 59 3.941 8.162 8.254 1.00 0.00 N ATOM 0 H ASN A 59 6.023 11.170 6.981 1.00 0.00 H new ATOM 0 HA ASN A 59 8.182 9.172 7.163 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.455 7.589 7.758 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.433 8.964 8.845 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.935 8.297 8.154 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.300 7.480 8.922 1.00 0.00 H new ATOM 512 N TYR A 60 7.061 9.905 4.512 1.00 0.00 N ATOM 513 CA TYR A 60 6.874 9.611 3.097 1.00 0.00 C ATOM 514 C TYR A 60 7.921 8.616 2.604 1.00 0.00 C ATOM 515 O TYR A 60 7.587 7.575 2.040 1.00 0.00 O ATOM 516 CB TYR A 60 6.937 10.897 2.269 1.00 0.00 C ATOM 517 CG TYR A 60 6.636 10.696 0.800 1.00 0.00 C ATOM 518 CD1 TYR A 60 5.328 10.613 0.345 1.00 0.00 C ATOM 519 CD2 TYR A 60 7.662 10.592 -0.127 1.00 0.00 C ATOM 520 CE1 TYR A 60 5.048 10.429 -0.995 1.00 0.00 C ATOM 521 CE2 TYR A 60 7.394 10.408 -1.470 1.00 0.00 C ATOM 522 CZ TYR A 60 6.085 10.327 -1.900 1.00 0.00 C ATOM 523 OH TYR A 60 5.812 10.145 -3.237 1.00 0.00 O ATOM 0 H TYR A 60 7.297 10.877 4.713 1.00 0.00 H new ATOM 0 HA TYR A 60 5.889 9.162 2.974 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.229 11.617 2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.930 11.334 2.370 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.515 10.694 1.051 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.687 10.656 0.206 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.024 10.365 -1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.204 10.328 -2.179 1.00 0.00 H new ATOM 0 HH TYR A 60 6.652 10.094 -3.739 1.00 0.00 H new ATOM 533 N TRP A 61 9.189 8.946 2.823 1.00 0.00 N ATOM 534 CA TRP A 61 10.285 8.064 2.438 1.00 0.00 C ATOM 535 C TRP A 61 10.221 6.748 3.206 1.00 0.00 C ATOM 536 O TRP A 61 10.638 5.706 2.703 1.00 0.00 O ATOM 537 CB TRP A 61 11.632 8.748 2.677 1.00 0.00 C ATOM 538 CG TRP A 61 11.942 8.968 4.127 1.00 0.00 C ATOM 539 CD1 TRP A 61 11.629 10.066 4.870 1.00 0.00 C ATOM 540 CD2 TRP A 61 12.626 8.068 5.008 1.00 0.00 C ATOM 541 NE1 TRP A 61 12.075 9.908 6.159 1.00 0.00 N ATOM 542 CE2 TRP A 61 12.690 8.687 6.269 1.00 0.00 C ATOM 543 CE3 TRP A 61 13.191 6.796 4.850 1.00 0.00 C ATOM 544 CZ2 TRP A 61 13.294 8.085 7.361 1.00 0.00 C ATOM 545 CZ3 TRP A 61 13.794 6.192 5.947 1.00 0.00 C ATOM 546 CH2 TRP A 61 13.844 6.818 7.167 1.00 0.00 C ATOM 0 H TRP A 61 9.483 9.817 3.265 1.00 0.00 H new ATOM 0 HA TRP A 61 10.185 7.846 1.375 1.00 0.00 H new ATOM 0 HB2 TRP A 61 12.422 8.142 2.233 1.00 0.00 H new ATOM 0 HB3 TRP A 61 11.639 9.709 2.162 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.106 10.935 4.499 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.967 10.588 6.912 1.00 0.00 H new ATOM 0 HE3 TRP A 61 13.159 6.294 3.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.337 8.576 8.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.232 5.211 5.837 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.321 6.318 7.997 1.00 0.00 H new ATOM 557 N GLN A 62 9.696 6.805 4.425 1.00 0.00 N ATOM 558 CA GLN A 62 9.562 5.615 5.256 1.00 0.00 C ATOM 559 C GLN A 62 8.567 4.633 4.645 1.00 0.00 C ATOM 560 O GLN A 62 8.829 3.432 4.574 1.00 0.00 O ATOM 561 CB GLN A 62 9.115 5.994 6.670 1.00 0.00 C ATOM 562 CG GLN A 62 10.172 6.724 7.482 1.00 0.00 C ATOM 563 CD GLN A 62 9.672 7.122 8.858 1.00 0.00 C ATOM 564 OE1 GLN A 62 8.512 6.883 9.205 1.00 0.00 O ATOM 565 NE2 GLN A 62 10.544 7.736 9.649 1.00 0.00 N ATOM 0 H GLN A 62 9.356 7.663 4.859 1.00 0.00 H new ATOM 0 HA GLN A 62 10.538 5.133 5.310 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.227 6.622 6.602 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.825 5.088 7.202 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.050 6.086 7.588 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.489 7.616 6.942 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.493 7.913 9.321 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.265 8.030 10.585 1.00 0.00 H new ATOM 574 N TRP A 63 7.428 5.152 4.203 1.00 0.00 N ATOM 575 CA TRP A 63 6.431 4.336 3.518 1.00 0.00 C ATOM 576 C TRP A 63 6.917 3.939 2.128 1.00 0.00 C ATOM 577 O TRP A 63 6.675 2.822 1.673 1.00 0.00 O ATOM 578 CB TRP A 63 5.107 5.095 3.412 1.00 0.00 C ATOM 579 CG TRP A 63 4.192 4.857 4.575 1.00 0.00 C ATOM 580 CD1 TRP A 63 4.172 5.544 5.755 1.00 0.00 C ATOM 581 CD2 TRP A 63 3.167 3.863 4.669 1.00 0.00 C ATOM 582 NE1 TRP A 63 3.194 5.036 6.577 1.00 0.00 N ATOM 583 CE2 TRP A 63 2.564 4.005 5.934 1.00 0.00 C ATOM 584 CE3 TRP A 63 2.698 2.868 3.808 1.00 0.00 C ATOM 585 CZ2 TRP A 63 1.519 3.189 6.356 1.00 0.00 C ATOM 586 CZ3 TRP A 63 1.661 2.057 4.228 1.00 0.00 C ATOM 587 CH2 TRP A 63 1.079 2.222 5.493 1.00 0.00 C ATOM 0 H TRP A 63 7.171 6.134 4.306 1.00 0.00 H new ATOM 0 HA TRP A 63 6.275 3.429 4.101 1.00 0.00 H new ATOM 0 HB2 TRP A 63 5.313 6.162 3.334 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.600 4.800 2.493 1.00 0.00 H new ATOM 0 HD1 TRP A 63 4.827 6.365 6.005 1.00 0.00 H new ATOM 0 HE1 TRP A 63 2.974 5.373 7.514 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.138 2.735 2.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 1.071 3.314 7.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 1.293 1.283 3.571 1.00 0.00 H new ATOM 0 HH2 TRP A 63 0.268 1.574 5.792 1.00 0.00 H new ATOM 598 N ALA A 64 7.601 4.861 1.459 1.00 0.00 N ATOM 599 CA ALA A 64 8.140 4.597 0.131 1.00 0.00 C ATOM 600 C ALA A 64 9.078 3.395 0.147 1.00 0.00 C ATOM 601 O ALA A 64 9.236 2.705 -0.860 1.00 0.00 O ATOM 602 CB ALA A 64 8.863 5.826 -0.399 1.00 0.00 C ATOM 0 H ALA A 64 7.795 5.797 1.815 1.00 0.00 H new ATOM 0 HA ALA A 64 7.307 4.365 -0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.261 5.614 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.165 6.661 -0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 64 9.682 6.084 0.272 1.00 0.00 H new ATOM 608 N SER A 65 9.699 3.150 1.296 1.00 0.00 N ATOM 609 CA SER A 65 10.578 1.998 1.460 1.00 0.00 C ATOM 610 C SER A 65 9.770 0.712 1.598 1.00 0.00 C ATOM 611 O SER A 65 9.974 -0.246 0.853 1.00 0.00 O ATOM 612 CB SER A 65 11.478 2.193 2.664 1.00 0.00 C ATOM 613 OG SER A 65 12.332 1.100 2.866 1.00 0.00 O ATOM 0 H SER A 65 9.610 3.734 2.128 1.00 0.00 H new ATOM 0 HA SER A 65 11.200 1.911 0.569 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.072 3.097 2.529 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.866 2.343 3.553 1.00 0.00 H new ATOM 0 HG SER A 65 12.896 1.266 3.650 1.00 0.00 H new ATOM 619 N ARG A 66 8.850 0.699 2.559 1.00 0.00 N ATOM 620 CA ARG A 66 8.075 -0.499 2.858 1.00 0.00 C ATOM 621 C ARG A 66 7.199 -0.891 1.671 1.00 0.00 C ATOM 622 O ARG A 66 6.856 -2.060 1.497 1.00 0.00 O ATOM 623 CB ARG A 66 7.258 -0.352 4.134 1.00 0.00 C ATOM 624 CG ARG A 66 6.003 0.494 3.995 1.00 0.00 C ATOM 625 CD ARG A 66 5.150 0.528 5.210 1.00 0.00 C ATOM 626 NE ARG A 66 5.721 1.263 6.327 1.00 0.00 N ATOM 627 CZ ARG A 66 5.156 1.362 7.547 1.00 0.00 C ATOM 628 NH1 ARG A 66 3.991 0.808 7.801 1.00 0.00 N ATOM 629 NH2 ARG A 66 5.794 2.052 8.476 1.00 0.00 N ATOM 0 H ARG A 66 8.624 1.504 3.143 1.00 0.00 H new ATOM 0 HA ARG A 66 8.783 -1.308 3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.973 -1.345 4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.891 0.087 4.905 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.293 1.513 3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.413 0.113 3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.189 0.973 4.952 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.952 -0.496 5.528 1.00 0.00 H new ATOM 0 HE ARG A 66 6.612 1.737 6.177 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.501 0.294 7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.578 0.893 8.730 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.689 2.492 8.260 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.392 2.145 9.409 1.00 0.00 H new ATOM 643 N THR A 67 6.840 0.096 0.856 1.00 0.00 N ATOM 644 CA THR A 67 5.890 -0.116 -0.228 1.00 0.00 C ATOM 645 C THR A 67 6.609 -0.368 -1.548 1.00 0.00 C ATOM 646 O THR A 67 5.975 -0.525 -2.592 1.00 0.00 O ATOM 647 CB THR A 67 4.942 1.087 -0.392 1.00 0.00 C ATOM 648 OG1 THR A 67 5.706 2.263 -0.686 1.00 0.00 O ATOM 649 CG2 THR A 67 4.142 1.312 0.882 1.00 0.00 C ATOM 0 H THR A 67 7.193 1.050 0.927 1.00 0.00 H new ATOM 0 HA THR A 67 5.303 -0.995 0.036 1.00 0.00 H new ATOM 0 HB THR A 67 4.252 0.879 -1.210 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.961 2.705 0.151 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.478 2.166 0.748 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.551 0.423 1.102 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.824 1.509 1.710 1.00 0.00 H new ATOM 657 N ASN A 68 7.936 -0.409 -1.495 1.00 0.00 N ATOM 658 CA ASN A 68 8.743 -0.619 -2.692 1.00 0.00 C ATOM 659 C ASN A 68 8.391 0.401 -3.772 1.00 0.00 C ATOM 660 O ASN A 68 7.952 0.040 -4.861 1.00 0.00 O ATOM 661 CB ASN A 68 8.586 -2.030 -3.229 1.00 0.00 C ATOM 662 CG ASN A 68 9.619 -2.407 -4.254 1.00 0.00 C ATOM 663 OD1 ASN A 68 10.659 -1.752 -4.386 1.00 0.00 O ATOM 664 ND2 ASN A 68 9.301 -3.408 -5.034 1.00 0.00 N ATOM 0 H ASN A 68 8.476 -0.300 -0.636 1.00 0.00 H new ATOM 0 HA ASN A 68 9.786 -0.481 -2.409 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.639 -2.733 -2.398 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.595 -2.133 -3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.924 -3.680 -5.794 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.430 -3.916 -4.882 1.00 0.00 H new ATOM 671 N ASN A 69 8.588 1.678 -3.457 1.00 0.00 N ATOM 672 CA ASN A 69 8.251 2.753 -4.384 1.00 0.00 C ATOM 673 C ASN A 69 6.744 2.830 -4.601 1.00 0.00 C ATOM 674 O ASN A 69 6.279 3.130 -5.702 1.00 0.00 O ATOM 675 CB ASN A 69 8.968 2.588 -5.711 1.00 0.00 C ATOM 676 CG ASN A 69 9.100 3.868 -6.491 1.00 0.00 C ATOM 677 OD1 ASN A 69 9.149 4.963 -5.919 1.00 0.00 O ATOM 678 ND2 ASN A 69 9.075 3.741 -7.792 1.00 0.00 N ATOM 0 H ASN A 69 8.978 1.993 -2.569 1.00 0.00 H new ATOM 0 HA ASN A 69 8.586 3.688 -3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.962 2.180 -5.528 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.430 1.858 -6.316 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.096 4.570 -8.386 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.034 2.813 -8.213 1.00 0.00 H new ATOM 685 N PHE A 70 5.984 2.559 -3.545 1.00 0.00 N ATOM 686 CA PHE A 70 4.528 2.550 -3.633 1.00 0.00 C ATOM 687 C PHE A 70 4.058 1.650 -4.772 1.00 0.00 C ATOM 688 O PHE A 70 3.064 1.940 -5.437 1.00 0.00 O ATOM 689 CB PHE A 70 3.993 3.970 -3.825 1.00 0.00 C ATOM 690 CG PHE A 70 4.354 4.910 -2.710 1.00 0.00 C ATOM 691 CD1 PHE A 70 3.728 4.819 -1.477 1.00 0.00 C ATOM 692 CD2 PHE A 70 5.321 5.887 -2.893 1.00 0.00 C ATOM 693 CE1 PHE A 70 4.058 5.683 -0.450 1.00 0.00 C ATOM 694 CE2 PHE A 70 5.654 6.752 -1.868 1.00 0.00 C ATOM 695 CZ PHE A 70 5.022 6.650 -0.647 1.00 0.00 C ATOM 0 H PHE A 70 6.352 2.343 -2.619 1.00 0.00 H new ATOM 0 HA PHE A 70 4.136 2.152 -2.697 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.378 4.369 -4.763 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.908 3.930 -3.917 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.973 4.064 -1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 70 5.819 5.973 -3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.562 5.601 0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.409 7.508 -2.023 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.281 7.326 0.154 1.00 0.00 H new ATOM 705 N LYS A 71 4.779 0.557 -4.990 1.00 0.00 N ATOM 706 CA LYS A 71 4.416 -0.408 -6.021 1.00 0.00 C ATOM 707 C LYS A 71 3.656 -1.586 -5.420 1.00 0.00 C ATOM 708 O LYS A 71 4.257 -2.516 -4.879 1.00 0.00 O ATOM 709 CB LYS A 71 5.662 -0.902 -6.757 1.00 0.00 C ATOM 710 CG LYS A 71 6.380 0.168 -7.568 1.00 0.00 C ATOM 711 CD LYS A 71 5.681 0.420 -8.895 1.00 0.00 C ATOM 712 CE LYS A 71 6.300 1.597 -9.634 1.00 0.00 C ATOM 713 NZ LYS A 71 5.735 1.756 -11.001 1.00 0.00 N ATOM 0 H LYS A 71 5.620 0.316 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 71 3.763 0.092 -6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.359 -1.317 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.376 -1.715 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.422 1.094 -6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.409 -0.141 -7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.742 -0.474 -9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.623 0.614 -8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.133 2.511 -9.064 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.379 1.456 -9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.054 2.659 -11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.059 0.973 -11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.696 1.747 -10.951 1.00 0.00 H new ATOM 727 N LEU A 72 2.332 -1.544 -5.521 1.00 0.00 N ATOM 728 CA LEU A 72 1.487 -2.576 -4.931 1.00 0.00 C ATOM 729 C LEU A 72 0.501 -3.124 -5.959 1.00 0.00 C ATOM 730 O LEU A 72 -0.205 -2.365 -6.624 1.00 0.00 O ATOM 731 CB LEU A 72 0.727 -2.016 -3.727 1.00 0.00 C ATOM 732 CG LEU A 72 1.582 -1.371 -2.635 1.00 0.00 C ATOM 733 CD1 LEU A 72 1.774 0.111 -2.913 1.00 0.00 C ATOM 734 CD2 LEU A 72 0.948 -1.582 -1.269 1.00 0.00 C ATOM 0 H LEU A 72 1.821 -0.807 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 72 2.130 -3.391 -4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.012 -1.275 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.150 -2.825 -3.279 1.00 0.00 H new ATOM 0 HG LEU A 72 2.562 -1.849 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.385 0.553 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.272 0.239 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.803 0.605 -2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.569 -1.117 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.044 -1.131 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.864 -2.650 -1.068 1.00 0.00 H new ATOM 746 N LEU A 73 0.455 -4.445 -6.080 1.00 0.00 N ATOM 747 CA LEU A 73 -0.400 -5.094 -7.069 1.00 0.00 C ATOM 748 C LEU A 73 -1.716 -5.542 -6.441 1.00 0.00 C ATOM 749 O LEU A 73 -1.773 -5.862 -5.252 1.00 0.00 O ATOM 750 CB LEU A 73 0.326 -6.289 -7.699 1.00 0.00 C ATOM 751 CG LEU A 73 1.596 -5.939 -8.486 1.00 0.00 C ATOM 752 CD1 LEU A 73 2.368 -7.208 -8.823 1.00 0.00 C ATOM 753 CD2 LEU A 73 1.217 -5.186 -9.753 1.00 0.00 C ATOM 0 H LEU A 73 0.999 -5.089 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.627 -4.370 -7.851 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.589 -6.992 -6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.366 -6.804 -8.366 1.00 0.00 H new ATOM 0 HG LEU A 73 2.237 -5.302 -7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.268 -6.949 -9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.647 -7.719 -7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.742 -7.865 -9.427 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.119 -4.937 -10.312 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.570 -5.811 -10.368 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.690 -4.269 -9.488 1.00 0.00 H new ATOM 765 N THR A 74 -2.774 -5.566 -7.246 1.00 0.00 N ATOM 766 CA THR A 74 -4.067 -6.063 -6.796 1.00 0.00 C ATOM 767 C THR A 74 -5.039 -6.200 -7.962 1.00 0.00 C ATOM 768 O THR A 74 -4.756 -5.754 -9.075 1.00 0.00 O ATOM 769 CB THR A 74 -4.687 -5.141 -5.729 1.00 0.00 C ATOM 770 OG1 THR A 74 -5.853 -5.764 -5.176 1.00 0.00 O ATOM 771 CG2 THR A 74 -5.072 -3.803 -6.339 1.00 0.00 C ATOM 0 H THR A 74 -2.760 -5.246 -8.214 1.00 0.00 H new ATOM 0 HA THR A 74 -3.891 -7.044 -6.356 1.00 0.00 H new ATOM 0 HB THR A 74 -3.950 -4.971 -4.944 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.013 -5.416 -4.274 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.508 -3.165 -5.571 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.185 -3.322 -6.750 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.800 -3.962 -7.135 1.00 0.00 H new ATOM 779 N ASP A 75 -6.185 -6.819 -7.701 1.00 0.00 N ATOM 780 CA ASP A 75 -7.250 -6.907 -8.694 1.00 0.00 C ATOM 781 C ASP A 75 -8.615 -7.004 -8.020 1.00 0.00 C ATOM 782 O ASP A 75 -9.174 -8.091 -7.880 1.00 0.00 O ATOM 783 CB ASP A 75 -7.029 -8.109 -9.615 1.00 0.00 C ATOM 784 CG ASP A 75 -7.987 -8.182 -10.796 1.00 0.00 C ATOM 785 OD1 ASP A 75 -8.832 -7.325 -10.904 1.00 0.00 O ATOM 786 OD2 ASP A 75 -7.772 -8.997 -11.661 1.00 0.00 O ATOM 0 H ASP A 75 -6.401 -7.267 -6.810 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.227 -5.998 -9.294 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.007 -8.078 -9.993 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.124 -9.023 -9.029 1.00 0.00 H new ATOM 791 N GLY A 76 -9.146 -5.859 -7.603 1.00 0.00 N ATOM 792 CA GLY A 76 -10.431 -5.839 -6.929 1.00 0.00 C ATOM 793 C GLY A 76 -10.415 -6.615 -5.627 1.00 0.00 C ATOM 794 O GLY A 76 -11.447 -7.117 -5.183 1.00 0.00 O ATOM 0 H GLY A 76 -8.709 -4.945 -7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.717 -4.806 -6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.190 -6.258 -7.589 1.00 0.00 H new ATOM 798 N GLU A 77 -9.239 -6.715 -5.014 1.00 0.00 N ATOM 799 CA GLU A 77 -9.060 -7.559 -3.839 1.00 0.00 C ATOM 800 C GLU A 77 -8.016 -6.966 -2.896 1.00 0.00 C ATOM 801 O GLU A 77 -7.587 -5.825 -3.067 1.00 0.00 O ATOM 802 CB GLU A 77 -8.658 -8.976 -4.252 1.00 0.00 C ATOM 803 CG GLU A 77 -7.326 -9.063 -4.985 1.00 0.00 C ATOM 804 CD GLU A 77 -7.031 -10.472 -5.418 1.00 0.00 C ATOM 805 OE1 GLU A 77 -7.720 -10.964 -6.279 1.00 0.00 O ATOM 806 OE2 GLU A 77 -6.049 -11.017 -4.971 1.00 0.00 O ATOM 0 H GLU A 77 -8.397 -6.222 -5.312 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.012 -7.606 -3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.610 -9.601 -3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.438 -9.390 -4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.345 -8.409 -5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.527 -8.705 -4.335 1.00 0.00 H new ATOM 813 N TRP A 78 -7.613 -7.749 -1.902 1.00 0.00 N ATOM 814 CA TRP A 78 -6.527 -7.356 -1.012 1.00 0.00 C ATOM 815 C TRP A 78 -5.293 -6.942 -1.806 1.00 0.00 C ATOM 816 O TRP A 78 -4.964 -7.554 -2.821 1.00 0.00 O ATOM 817 CB TRP A 78 -6.179 -8.498 -0.055 1.00 0.00 C ATOM 818 CG TRP A 78 -5.623 -9.707 -0.744 1.00 0.00 C ATOM 819 CD1 TRP A 78 -6.326 -10.640 -1.447 1.00 0.00 C ATOM 820 CD2 TRP A 78 -4.251 -10.114 -0.797 1.00 0.00 C ATOM 821 NE1 TRP A 78 -5.478 -11.603 -1.934 1.00 0.00 N ATOM 822 CE2 TRP A 78 -4.195 -11.301 -1.549 1.00 0.00 C ATOM 823 CE3 TRP A 78 -3.061 -9.586 -0.280 1.00 0.00 C ATOM 824 CZ2 TRP A 78 -3.008 -11.970 -1.796 1.00 0.00 C ATOM 825 CZ3 TRP A 78 -1.869 -10.256 -0.529 1.00 0.00 C ATOM 826 CH2 TRP A 78 -1.843 -11.414 -1.266 1.00 0.00 C ATOM 0 H TRP A 78 -8.022 -8.660 -1.692 1.00 0.00 H new ATOM 0 HA TRP A 78 -6.863 -6.498 -0.429 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.454 -8.141 0.676 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -7.074 -8.784 0.497 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -7.395 -10.624 -1.599 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -5.756 -12.411 -2.491 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -3.070 -8.676 0.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -2.985 -12.882 -2.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.945 -9.858 -0.135 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.898 -11.907 -1.440 1.00 0.00 H new ATOM 837 N VAL A 79 -4.615 -5.899 -1.337 1.00 0.00 N ATOM 838 CA VAL A 79 -3.466 -5.352 -2.050 1.00 0.00 C ATOM 839 C VAL A 79 -2.158 -5.804 -1.413 1.00 0.00 C ATOM 840 O VAL A 79 -2.065 -5.942 -0.193 1.00 0.00 O ATOM 841 CB VAL A 79 -3.504 -3.812 -2.084 1.00 0.00 C ATOM 842 CG1 VAL A 79 -2.321 -3.268 -2.871 1.00 0.00 C ATOM 843 CG2 VAL A 79 -4.814 -3.325 -2.687 1.00 0.00 C ATOM 0 H VAL A 79 -4.841 -5.416 -0.467 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.519 -5.730 -3.071 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.437 -3.442 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.363 -2.179 -2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.392 -3.589 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.359 -3.646 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.824 -2.235 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.909 -3.704 -3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.648 -3.687 -2.086 1.00 0.00 H new ATOM 853 N TRP A 80 -1.150 -6.034 -2.246 1.00 0.00 N ATOM 854 CA TRP A 80 0.167 -6.433 -1.761 1.00 0.00 C ATOM 855 C TRP A 80 1.267 -5.656 -2.475 1.00 0.00 C ATOM 856 O TRP A 80 1.075 -5.169 -3.590 1.00 0.00 O ATOM 857 CB TRP A 80 0.375 -7.937 -1.953 1.00 0.00 C ATOM 858 CG TRP A 80 0.361 -8.365 -3.389 1.00 0.00 C ATOM 859 CD1 TRP A 80 1.441 -8.507 -4.208 1.00 0.00 C ATOM 860 CD2 TRP A 80 -0.788 -8.706 -4.175 1.00 0.00 C ATOM 861 NE1 TRP A 80 1.038 -8.915 -5.456 1.00 0.00 N ATOM 862 CE2 TRP A 80 -0.328 -9.045 -5.460 1.00 0.00 C ATOM 863 CE3 TRP A 80 -2.163 -8.758 -3.914 1.00 0.00 C ATOM 864 CZ2 TRP A 80 -1.185 -9.427 -6.479 1.00 0.00 C ATOM 865 CZ3 TRP A 80 -3.023 -9.142 -4.936 1.00 0.00 C ATOM 866 CH2 TRP A 80 -2.548 -9.468 -6.182 1.00 0.00 C ATOM 0 H TRP A 80 -1.219 -5.951 -3.260 1.00 0.00 H new ATOM 0 HA TRP A 80 0.219 -6.204 -0.697 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.327 -8.224 -1.506 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.405 -8.475 -1.414 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.465 -8.325 -3.918 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.653 -9.092 -6.250 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -2.548 -8.505 -2.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.814 -9.682 -7.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -4.085 -9.185 -4.746 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -3.246 -9.763 -6.951 1.00 0.00 H new ATOM 877 N VAL A 81 2.422 -5.544 -1.825 1.00 0.00 N ATOM 878 CA VAL A 81 3.565 -4.855 -2.414 1.00 0.00 C ATOM 879 C VAL A 81 4.352 -5.784 -3.332 1.00 0.00 C ATOM 880 O VAL A 81 4.671 -6.913 -2.962 1.00 0.00 O ATOM 881 CB VAL A 81 4.507 -4.297 -1.331 1.00 0.00 C ATOM 882 CG1 VAL A 81 5.688 -3.581 -1.970 1.00 0.00 C ATOM 883 CG2 VAL A 81 3.755 -3.356 -0.402 1.00 0.00 C ATOM 0 H VAL A 81 2.591 -5.921 -0.892 1.00 0.00 H new ATOM 0 HA VAL A 81 3.167 -4.024 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 81 4.886 -5.132 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.343 -3.193 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.243 -4.281 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.325 -2.756 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.437 -2.972 0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.347 -2.525 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.941 -3.896 0.082 1.00 0.00 H new ATOM 893 N GLU A 82 4.666 -5.297 -4.529 1.00 0.00 N ATOM 894 CA GLU A 82 5.409 -6.087 -5.503 1.00 0.00 C ATOM 895 C GLU A 82 6.726 -6.581 -4.911 1.00 0.00 C ATOM 896 O GLU A 82 7.529 -5.793 -4.413 1.00 0.00 O ATOM 897 CB GLU A 82 5.673 -5.270 -6.770 1.00 0.00 C ATOM 898 CG GLU A 82 6.375 -6.038 -7.879 1.00 0.00 C ATOM 899 CD GLU A 82 6.634 -5.161 -9.073 1.00 0.00 C ATOM 900 OE1 GLU A 82 6.257 -4.015 -9.036 1.00 0.00 O ATOM 901 OE2 GLU A 82 7.307 -5.602 -9.975 1.00 0.00 O ATOM 0 H GLU A 82 4.417 -4.360 -4.847 1.00 0.00 H new ATOM 0 HA GLU A 82 4.803 -6.954 -5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.723 -4.895 -7.150 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.277 -4.401 -6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.319 -6.437 -7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.764 -6.890 -8.177 1.00 0.00 H new ATOM 908 N GLY A 83 6.941 -7.892 -4.970 1.00 0.00 N ATOM 909 CA GLY A 83 8.166 -8.467 -4.447 1.00 0.00 C ATOM 910 C GLY A 83 7.995 -9.015 -3.043 1.00 0.00 C ATOM 911 O GLY A 83 8.867 -9.720 -2.535 1.00 0.00 O ATOM 0 H GLY A 83 6.288 -8.566 -5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.500 -9.267 -5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.948 -7.708 -4.445 1.00 0.00 H new ATOM 915 N TYR A 84 6.872 -8.688 -2.416 1.00 0.00 N ATOM 916 CA TYR A 84 6.603 -9.127 -1.051 1.00 0.00 C ATOM 917 C TYR A 84 5.403 -10.069 -1.009 1.00 0.00 C ATOM 918 O TYR A 84 4.936 -10.448 0.066 1.00 0.00 O ATOM 919 CB TYR A 84 6.361 -7.924 -0.137 1.00 0.00 C ATOM 920 CG TYR A 84 7.572 -7.036 0.041 1.00 0.00 C ATOM 921 CD1 TYR A 84 8.505 -7.296 1.034 1.00 0.00 C ATOM 922 CD2 TYR A 84 7.779 -5.939 -0.782 1.00 0.00 C ATOM 923 CE1 TYR A 84 9.613 -6.489 1.203 1.00 0.00 C ATOM 924 CE2 TYR A 84 8.884 -5.125 -0.624 1.00 0.00 C ATOM 925 CZ TYR A 84 9.799 -5.404 0.371 1.00 0.00 C ATOM 926 OH TYR A 84 10.901 -4.596 0.535 1.00 0.00 O ATOM 0 H TYR A 84 6.133 -8.120 -2.830 1.00 0.00 H new ATOM 0 HA TYR A 84 7.479 -9.668 -0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 84 5.543 -7.329 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 84 6.038 -8.282 0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 84 8.362 -8.145 1.687 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.064 -5.717 -1.560 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.329 -6.706 1.982 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.031 -4.276 -1.275 1.00 0.00 H new ATOM 0 HH TYR A 84 10.883 -3.878 -0.132 1.00 0.00 H new ATOM 936 N GLU A 85 4.910 -10.442 -2.185 1.00 0.00 N ATOM 937 CA GLU A 85 3.916 -11.504 -2.293 1.00 0.00 C ATOM 938 C GLU A 85 4.487 -12.836 -1.816 1.00 0.00 C ATOM 939 O GLU A 85 3.747 -13.787 -1.571 1.00 0.00 O ATOM 940 CB GLU A 85 3.419 -11.628 -3.736 1.00 0.00 C ATOM 941 CG GLU A 85 4.470 -12.117 -4.722 1.00 0.00 C ATOM 942 CD GLU A 85 5.282 -10.975 -5.265 1.00 0.00 C ATOM 943 OE1 GLU A 85 5.079 -9.867 -4.832 1.00 0.00 O ATOM 944 OE2 GLU A 85 6.184 -11.225 -6.031 1.00 0.00 O ATOM 0 H GLU A 85 5.182 -10.026 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 85 3.073 -11.244 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.571 -12.313 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.053 -10.656 -4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.129 -12.833 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.984 -12.644 -5.543 1.00 0.00 H new ATOM 951 N GLU A 86 5.809 -12.894 -1.688 1.00 0.00 N ATOM 952 CA GLU A 86 6.466 -14.036 -1.062 1.00 0.00 C ATOM 953 C GLU A 86 6.422 -13.924 0.459 1.00 0.00 C ATOM 954 O GLU A 86 6.687 -14.893 1.172 1.00 0.00 O ATOM 955 CB GLU A 86 7.914 -14.151 -1.543 1.00 0.00 C ATOM 956 CG GLU A 86 8.816 -13.006 -1.103 1.00 0.00 C ATOM 957 CD GLU A 86 10.191 -13.136 -1.695 1.00 0.00 C ATOM 958 OE1 GLU A 86 10.408 -14.049 -2.454 1.00 0.00 O ATOM 959 OE2 GLU A 86 10.995 -12.259 -1.476 1.00 0.00 O ATOM 0 H GLU A 86 6.446 -12.165 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 86 5.927 -14.937 -1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.332 -15.088 -1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.919 -14.204 -2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.376 -12.056 -1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.886 -12.992 -0.015 1.00 0.00 H new ATOM 966 N HIS A 87 6.086 -12.735 0.949 1.00 0.00 N ATOM 967 CA HIS A 87 6.045 -12.485 2.386 1.00 0.00 C ATOM 968 C HIS A 87 4.606 -12.355 2.873 1.00 0.00 C ATOM 969 O HIS A 87 4.335 -11.673 3.862 1.00 0.00 O ATOM 970 CB HIS A 87 6.836 -11.222 2.741 1.00 0.00 C ATOM 971 CG HIS A 87 8.296 -11.318 2.424 1.00 0.00 C ATOM 972 ND1 HIS A 87 9.170 -12.084 3.166 1.00 0.00 N ATOM 973 CD2 HIS A 87 9.036 -10.744 1.446 1.00 0.00 C ATOM 974 CE1 HIS A 87 10.385 -11.978 2.657 1.00 0.00 C ATOM 975 NE2 HIS A 87 10.330 -11.170 1.613 1.00 0.00 N ATOM 0 H HIS A 87 5.838 -11.930 0.373 1.00 0.00 H new ATOM 0 HA HIS A 87 6.506 -13.337 2.886 1.00 0.00 H new ATOM 0 HB2 HIS A 87 6.411 -10.375 2.203 1.00 0.00 H new ATOM 0 HB3 HIS A 87 6.717 -11.016 3.805 1.00 0.00 H new ATOM 0 HD2 HIS A 87 8.675 -10.076 0.678 1.00 0.00 H new ATOM 0 HE1 HIS A 87 11.272 -12.468 3.031 1.00 0.00 H new ATOM 0 HE2 HIS A 87 11.121 -10.906 1.026 1.00 0.00 H new ATOM 983 N ILE A 88 3.687 -13.011 2.172 1.00 0.00 N ATOM 984 CA ILE A 88 2.273 -12.953 2.523 1.00 0.00 C ATOM 985 C ILE A 88 1.853 -14.185 3.318 1.00 0.00 C ATOM 986 O ILE A 88 2.278 -15.301 3.023 1.00 0.00 O ATOM 987 CB ILE A 88 1.384 -12.833 1.271 1.00 0.00 C ATOM 988 CG1 ILE A 88 1.769 -11.593 0.461 1.00 0.00 C ATOM 989 CG2 ILE A 88 -0.084 -12.783 1.664 1.00 0.00 C ATOM 990 CD1 ILE A 88 1.617 -10.295 1.221 1.00 0.00 C ATOM 0 H ILE A 88 3.896 -13.589 1.358 1.00 0.00 H new ATOM 0 HA ILE A 88 2.138 -12.064 3.138 1.00 0.00 H new ATOM 0 HB ILE A 88 1.541 -13.713 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.804 -11.692 0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.153 -11.552 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.698 -12.698 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.348 -13.695 2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.259 -11.920 2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.909 -9.462 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.578 -10.172 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.255 -10.314 2.105 1.00 0.00 H new ATOM 1002 N GLY A 89 1.014 -13.973 4.328 1.00 0.00 N ATOM 1003 CA GLY A 89 0.563 -15.073 5.162 1.00 0.00 C ATOM 1004 C GLY A 89 1.495 -15.335 6.329 1.00 0.00 C ATOM 1005 O GLY A 89 1.399 -16.370 6.989 1.00 0.00 O ATOM 0 H GLY A 89 0.639 -13.060 4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.435 -14.853 5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.482 -15.975 4.556 1.00 0.00 H new ATOM 1009 N LYS A 90 2.398 -14.395 6.585 1.00 0.00 N ATOM 1010 CA LYS A 90 3.359 -14.532 7.674 1.00 0.00 C ATOM 1011 C LYS A 90 2.994 -13.616 8.838 1.00 0.00 C ATOM 1012 O LYS A 90 2.265 -12.641 8.667 1.00 0.00 O ATOM 1013 CB LYS A 90 4.774 -14.226 7.182 1.00 0.00 C ATOM 1014 CG LYS A 90 5.287 -15.177 6.109 1.00 0.00 C ATOM 1015 CD LYS A 90 6.612 -14.699 5.534 1.00 0.00 C ATOM 1016 CE LYS A 90 7.233 -15.750 4.625 1.00 0.00 C ATOM 1017 NZ LYS A 90 8.579 -15.342 4.141 1.00 0.00 N ATOM 0 H LYS A 90 2.485 -13.529 6.053 1.00 0.00 H new ATOM 0 HA LYS A 90 3.327 -15.563 8.026 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.797 -13.209 6.790 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.455 -14.256 8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.410 -16.174 6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.550 -15.259 5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.456 -13.777 4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.300 -14.466 6.346 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.312 -16.694 5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.578 -15.924 3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.822 -15.887 3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.573 -14.327 3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.285 -15.526 4.882 1.00 0.00 H new ATOM 1031 N GLN A 91 3.511 -13.938 10.020 1.00 0.00 N ATOM 1032 CA GLN A 91 3.240 -13.143 11.212 1.00 0.00 C ATOM 1033 C GLN A 91 4.181 -11.946 11.294 1.00 0.00 C ATOM 1034 O GLN A 91 5.217 -12.003 11.959 1.00 0.00 O ATOM 1035 CB GLN A 91 3.380 -14.000 12.473 1.00 0.00 C ATOM 1036 CG GLN A 91 2.873 -13.332 13.739 1.00 0.00 C ATOM 1037 CD GLN A 91 3.018 -14.220 14.960 1.00 0.00 C ATOM 1038 OE1 GLN A 91 3.466 -15.366 14.862 1.00 0.00 O ATOM 1039 NE2 GLN A 91 2.636 -13.698 16.120 1.00 0.00 N ATOM 0 H GLN A 91 4.119 -14.742 10.177 1.00 0.00 H new ATOM 0 HA GLN A 91 2.216 -12.777 11.143 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.837 -14.934 12.326 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.430 -14.259 12.608 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.421 -12.404 13.901 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.824 -13.065 13.610 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.271 -12.746 16.155 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.707 -14.249 16.975 1.00 0.00 H new ATOM 1048 N LEU A 92 3.817 -10.865 10.615 1.00 0.00 N ATOM 1049 CA LEU A 92 4.649 -9.668 10.579 1.00 0.00 C ATOM 1050 C LEU A 92 3.916 -8.475 11.187 1.00 0.00 C ATOM 1051 O LEU A 92 2.709 -8.301 11.011 1.00 0.00 O ATOM 1052 CB LEU A 92 5.072 -9.359 9.137 1.00 0.00 C ATOM 1053 CG LEU A 92 5.885 -10.460 8.445 1.00 0.00 C ATOM 1054 CD1 LEU A 92 6.134 -10.088 6.989 1.00 0.00 C ATOM 1055 CD2 LEU A 92 7.200 -10.660 9.183 1.00 0.00 C ATOM 0 H LEU A 92 2.951 -10.792 10.081 1.00 0.00 H new ATOM 0 HA LEU A 92 5.542 -9.855 11.175 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.177 -9.165 8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.659 -8.441 9.136 1.00 0.00 H new ATOM 0 HG LEU A 92 5.325 -11.395 8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.712 -10.876 6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.180 -9.971 6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.689 -9.151 6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.778 -11.443 8.691 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.768 -9.730 9.174 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.998 -10.951 10.214 1.00 0.00 H new ATOM 1067 N PRO A 93 4.661 -7.633 11.918 1.00 0.00 N ATOM 1068 CA PRO A 93 4.128 -6.386 12.474 1.00 0.00 C ATOM 1069 C PRO A 93 3.787 -5.369 11.392 1.00 0.00 C ATOM 1070 O PRO A 93 4.027 -5.604 10.206 1.00 0.00 O ATOM 1071 CB PRO A 93 5.246 -5.885 13.394 1.00 0.00 C ATOM 1072 CG PRO A 93 6.493 -6.451 12.805 1.00 0.00 C ATOM 1073 CD PRO A 93 6.104 -7.804 12.272 1.00 0.00 C ATOM 0 HA PRO A 93 3.188 -6.541 13.003 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.279 -4.796 13.423 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.100 -6.226 14.419 1.00 0.00 H new ATOM 0 HG2 PRO A 93 6.878 -5.811 12.011 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.279 -6.535 13.555 1.00 0.00 H new ATOM 0 HD2 PRO A 93 6.701 -8.081 11.403 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.245 -8.586 13.018 1.00 0.00 H new ATOM 1081 N LEU A 94 3.226 -4.237 11.804 1.00 0.00 N ATOM 1082 CA LEU A 94 2.849 -3.184 10.868 1.00 0.00 C ATOM 1083 C LEU A 94 4.073 -2.630 10.147 1.00 0.00 C ATOM 1084 O LEU A 94 3.989 -2.208 8.995 1.00 0.00 O ATOM 1085 CB LEU A 94 2.106 -2.060 11.602 1.00 0.00 C ATOM 1086 CG LEU A 94 0.717 -2.434 12.134 1.00 0.00 C ATOM 1087 CD1 LEU A 94 0.159 -1.299 12.981 1.00 0.00 C ATOM 1088 CD2 LEU A 94 -0.209 -2.741 10.967 1.00 0.00 C ATOM 0 H LEU A 94 3.022 -4.025 12.781 1.00 0.00 H new ATOM 0 HA LEU A 94 2.183 -3.616 10.121 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.720 -1.726 12.438 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.002 -1.212 10.925 1.00 0.00 H new ATOM 0 HG LEU A 94 0.796 -3.321 12.762 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.827 -1.574 13.354 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.826 -1.111 13.823 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.079 -0.397 12.374 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.196 -3.007 11.346 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.291 -1.863 10.326 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.195 -3.574 10.391 1.00 0.00 H new ATOM 1100 N ASN A 95 5.211 -2.639 10.834 1.00 0.00 N ATOM 1101 CA ASN A 95 6.462 -2.170 10.247 1.00 0.00 C ATOM 1102 C ASN A 95 6.933 -3.116 9.147 1.00 0.00 C ATOM 1103 O ASN A 95 7.574 -2.693 8.185 1.00 0.00 O ATOM 1104 CB ASN A 95 7.543 -2.004 11.299 1.00 0.00 C ATOM 1105 CG ASN A 95 7.334 -0.818 12.199 1.00 0.00 C ATOM 1106 OD1 ASN A 95 6.614 0.127 11.859 1.00 0.00 O ATOM 1107 ND2 ASN A 95 8.025 -0.825 13.311 1.00 0.00 N ATOM 0 H ASN A 95 5.293 -2.966 11.797 1.00 0.00 H new ATOM 0 HA ASN A 95 6.269 -1.192 9.807 1.00 0.00 H new ATOM 0 HB2 ASN A 95 7.587 -2.907 11.907 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.509 -1.907 10.803 1.00 0.00 H new ATOM 0 HD21 ASN A 95 7.983 -0.025 13.942 1.00 0.00 H new ATOM 0 HD22 ASN A 95 8.605 -1.631 13.546 1.00 0.00 H new ATOM 1114 N GLN A 96 6.613 -4.397 9.297 1.00 0.00 N ATOM 1115 CA GLN A 96 7.046 -5.410 8.342 1.00 0.00 C ATOM 1116 C GLN A 96 5.902 -5.809 7.416 1.00 0.00 C ATOM 1117 O GLN A 96 6.104 -6.532 6.440 1.00 0.00 O ATOM 1118 CB GLN A 96 7.577 -6.646 9.073 1.00 0.00 C ATOM 1119 CG GLN A 96 8.781 -6.375 9.959 1.00 0.00 C ATOM 1120 CD GLN A 96 9.973 -5.861 9.175 1.00 0.00 C ATOM 1121 OE1 GLN A 96 10.370 -6.448 8.165 1.00 0.00 O ATOM 1122 NE2 GLN A 96 10.555 -4.760 9.639 1.00 0.00 N ATOM 0 H GLN A 96 6.055 -4.758 10.071 1.00 0.00 H new ATOM 0 HA GLN A 96 7.848 -4.982 7.741 1.00 0.00 H new ATOM 0 HB2 GLN A 96 6.777 -7.065 9.684 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.845 -7.403 8.336 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.510 -5.646 10.722 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.060 -7.292 10.479 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.193 -4.307 10.478 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.363 -4.368 9.156 1.00 0.00 H new ATOM 1131 N ALA A 97 4.700 -5.335 7.728 1.00 0.00 N ATOM 1132 CA ALA A 97 3.529 -5.621 6.910 1.00 0.00 C ATOM 1133 C ALA A 97 3.732 -5.144 5.477 1.00 0.00 C ATOM 1134 O ALA A 97 4.255 -4.055 5.243 1.00 0.00 O ATOM 1135 CB ALA A 97 2.292 -4.974 7.514 1.00 0.00 C ATOM 0 H ALA A 97 4.512 -4.751 8.543 1.00 0.00 H new ATOM 0 HA ALA A 97 3.386 -6.701 6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.425 -5.196 6.892 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.129 -5.367 8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.434 -3.895 7.566 1.00 0.00 H new ATOM 1141 N ARG A 98 3.316 -5.967 4.519 1.00 0.00 N ATOM 1142 CA ARG A 98 3.511 -5.657 3.107 1.00 0.00 C ATOM 1143 C ARG A 98 2.248 -5.955 2.304 1.00 0.00 C ATOM 1144 O ARG A 98 2.318 -6.305 1.126 1.00 0.00 O ATOM 1145 CB ARG A 98 4.724 -6.368 2.525 1.00 0.00 C ATOM 1146 CG ARG A 98 6.052 -5.995 3.166 1.00 0.00 C ATOM 1147 CD ARG A 98 6.525 -4.625 2.842 1.00 0.00 C ATOM 1148 NE ARG A 98 7.846 -4.306 3.359 1.00 0.00 N ATOM 1149 CZ ARG A 98 8.093 -3.862 4.607 1.00 0.00 C ATOM 1150 NH1 ARG A 98 7.112 -3.649 5.456 1.00 0.00 N ATOM 1151 NH2 ARG A 98 9.347 -3.625 4.950 1.00 0.00 N ATOM 0 H ARG A 98 2.842 -6.853 4.695 1.00 0.00 H new ATOM 0 HA ARG A 98 3.712 -4.588 3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.579 -7.444 2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.778 -6.150 1.458 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.958 -6.088 4.248 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.809 -6.712 2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.533 -4.504 1.759 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.810 -3.904 3.238 1.00 0.00 H new ATOM 0 HE ARG A 98 8.642 -4.427 2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 98 6.147 -3.820 5.174 1.00 0.00 H new ATOM 0 HH12 ARG A 98 7.316 -3.313 6.397 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.098 -3.779 4.277 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.564 -3.288 5.888 1.00 0.00 H new ATOM 1165 N ALA A 99 1.096 -5.814 2.950 1.00 0.00 N ATOM 1166 CA ALA A 99 -0.184 -6.026 2.286 1.00 0.00 C ATOM 1167 C ALA A 99 -1.328 -5.416 3.090 1.00 0.00 C ATOM 1168 O ALA A 99 -1.339 -5.483 4.319 1.00 0.00 O ATOM 1169 CB ALA A 99 -0.426 -7.511 2.064 1.00 0.00 C ATOM 0 H ALA A 99 1.023 -5.554 3.933 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.148 -5.527 1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.386 -7.653 1.567 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.369 -7.920 1.441 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.435 -8.026 3.025 1.00 0.00 H new ATOM 1175 N TRP A 100 -2.287 -4.823 2.389 1.00 0.00 N ATOM 1176 CA TRP A 100 -3.485 -4.292 3.030 1.00 0.00 C ATOM 1177 C TRP A 100 -4.720 -4.555 2.177 1.00 0.00 C ATOM 1178 O TRP A 100 -4.618 -4.783 0.972 1.00 0.00 O ATOM 1179 CB TRP A 100 -3.332 -2.792 3.289 1.00 0.00 C ATOM 1180 CG TRP A 100 -2.091 -2.439 4.051 1.00 0.00 C ATOM 1181 CD1 TRP A 100 -2.005 -2.153 5.380 1.00 0.00 C ATOM 1182 CD2 TRP A 100 -0.760 -2.335 3.530 1.00 0.00 C ATOM 1183 NE1 TRP A 100 -0.704 -1.876 5.721 1.00 0.00 N ATOM 1184 CE2 TRP A 100 0.080 -1.983 4.601 1.00 0.00 C ATOM 1185 CE3 TRP A 100 -0.198 -2.508 2.259 1.00 0.00 C ATOM 1186 CZ2 TRP A 100 1.445 -1.798 4.444 1.00 0.00 C ATOM 1187 CZ3 TRP A 100 1.170 -2.323 2.103 1.00 0.00 C ATOM 1188 CH2 TRP A 100 1.969 -1.979 3.164 1.00 0.00 C ATOM 0 H TRP A 100 -2.259 -4.698 1.377 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.612 -4.803 3.985 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -3.324 -2.266 2.334 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.201 -2.437 3.842 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -2.839 -2.145 6.066 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -0.375 -1.631 6.655 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -0.816 -2.780 1.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 2.076 -1.525 5.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.614 -2.453 1.127 1.00 0.00 H new ATOM 0 HH2 TRP A 100 3.029 -1.845 3.004 1.00 0.00 H new ATOM 1199 N SER A 101 -5.889 -4.522 2.810 1.00 0.00 N ATOM 1200 CA SER A 101 -7.145 -4.765 2.109 1.00 0.00 C ATOM 1201 C SER A 101 -7.693 -3.472 1.514 1.00 0.00 C ATOM 1202 O SER A 101 -7.422 -2.381 2.015 1.00 0.00 O ATOM 1203 CB SER A 101 -8.158 -5.388 3.050 1.00 0.00 C ATOM 1204 OG SER A 101 -8.533 -4.510 4.076 1.00 0.00 O ATOM 0 H SER A 101 -5.992 -4.329 3.806 1.00 0.00 H new ATOM 0 HA SER A 101 -6.954 -5.459 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.042 -5.684 2.486 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.738 -6.295 3.485 1.00 0.00 H new ATOM 0 HG SER A 101 -9.187 -4.949 4.659 1.00 0.00 H new ATOM 1210 N TRP A 102 -8.466 -3.602 0.441 1.00 0.00 N ATOM 1211 CA TRP A 102 -9.246 -2.485 -0.080 1.00 0.00 C ATOM 1212 C TRP A 102 -10.141 -1.895 1.004 1.00 0.00 C ATOM 1213 O TRP A 102 -10.436 -0.701 0.994 1.00 0.00 O ATOM 1214 CB TRP A 102 -10.095 -2.940 -1.269 1.00 0.00 C ATOM 1215 CG TRP A 102 -9.444 -2.685 -2.594 1.00 0.00 C ATOM 1216 CD1 TRP A 102 -9.228 -3.595 -3.590 1.00 0.00 C ATOM 1217 CD2 TRP A 102 -8.926 -1.438 -3.068 1.00 0.00 C ATOM 1218 NE1 TRP A 102 -8.606 -2.987 -4.654 1.00 0.00 N ATOM 1219 CE2 TRP A 102 -8.410 -1.665 -4.359 1.00 0.00 C ATOM 1220 CE3 TRP A 102 -8.848 -0.151 -2.529 1.00 0.00 C ATOM 1221 CZ2 TRP A 102 -7.825 -0.652 -5.116 1.00 0.00 C ATOM 1222 CZ3 TRP A 102 -8.267 0.852 -3.280 1.00 0.00 C ATOM 1223 CH2 TRP A 102 -7.762 0.598 -4.561 1.00 0.00 C ATOM 0 H TRP A 102 -8.569 -4.470 -0.085 1.00 0.00 H new ATOM 0 HA TRP A 102 -8.552 -1.713 -0.413 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -10.301 -4.006 -1.172 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -11.055 -2.425 -1.239 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -9.505 -4.638 -3.547 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -8.334 -3.447 -5.523 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.235 0.056 -1.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -7.435 -0.846 -6.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.201 1.850 -2.872 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -7.314 1.404 -5.123 1.00 0.00 H new ATOM 1234 N GLU A 103 -10.569 -2.740 1.937 1.00 0.00 N ATOM 1235 CA GLU A 103 -11.429 -2.298 3.030 1.00 0.00 C ATOM 1236 C GLU A 103 -10.658 -1.418 4.008 1.00 0.00 C ATOM 1237 O GLU A 103 -11.182 -0.427 4.516 1.00 0.00 O ATOM 1238 CB GLU A 103 -12.029 -3.501 3.761 1.00 0.00 C ATOM 1239 CG GLU A 103 -13.039 -4.294 2.943 1.00 0.00 C ATOM 1240 CD GLU A 103 -14.189 -3.429 2.506 1.00 0.00 C ATOM 1241 OE1 GLU A 103 -14.749 -2.754 3.336 1.00 0.00 O ATOM 1242 OE2 GLU A 103 -14.435 -3.355 1.325 1.00 0.00 O ATOM 0 H GLU A 103 -10.335 -3.733 1.958 1.00 0.00 H new ATOM 0 HA GLU A 103 -12.240 -1.707 2.603 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.221 -4.167 4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -12.512 -3.152 4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.548 -4.719 2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.414 -5.129 3.535 1.00 0.00 H new ATOM 1249 N PHE A 104 -9.408 -1.789 4.268 1.00 0.00 N ATOM 1250 CA PHE A 104 -8.532 -0.982 5.111 1.00 0.00 C ATOM 1251 C PHE A 104 -8.162 0.325 4.415 1.00 0.00 C ATOM 1252 O PHE A 104 -8.132 1.385 5.040 1.00 0.00 O ATOM 1253 CB PHE A 104 -7.268 -1.764 5.473 1.00 0.00 C ATOM 1254 CG PHE A 104 -6.314 -1.002 6.348 1.00 0.00 C ATOM 1255 CD1 PHE A 104 -6.553 -0.867 7.707 1.00 0.00 C ATOM 1256 CD2 PHE A 104 -5.176 -0.418 5.814 1.00 0.00 C ATOM 1257 CE1 PHE A 104 -5.676 -0.166 8.513 1.00 0.00 C ATOM 1258 CE2 PHE A 104 -4.295 0.282 6.616 1.00 0.00 C ATOM 1259 CZ PHE A 104 -4.547 0.408 7.968 1.00 0.00 C ATOM 0 H PHE A 104 -8.979 -2.642 3.908 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.071 -0.743 6.028 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.555 -2.685 5.980 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.754 -2.051 4.556 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.435 -1.315 8.141 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.975 -0.511 4.757 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.875 -0.068 9.570 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.411 0.730 6.186 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.861 0.955 8.597 1.00 0.00 H new ATOM 1269 N ILE A 105 -7.881 0.240 3.119 1.00 0.00 N ATOM 1270 CA ILE A 105 -7.574 1.423 2.327 1.00 0.00 C ATOM 1271 C ILE A 105 -8.714 2.434 2.382 1.00 0.00 C ATOM 1272 O ILE A 105 -8.493 3.626 2.600 1.00 0.00 O ATOM 1273 CB ILE A 105 -7.292 1.061 0.857 1.00 0.00 C ATOM 1274 CG1 ILE A 105 -5.984 0.275 0.742 1.00 0.00 C ATOM 1275 CG2 ILE A 105 -7.241 2.316 0.000 1.00 0.00 C ATOM 1276 CD1 ILE A 105 -5.758 -0.341 -0.619 1.00 0.00 C ATOM 0 H ILE A 105 -7.860 -0.636 2.596 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.678 1.867 2.760 1.00 0.00 H new ATOM 0 HB ILE A 105 -8.104 0.431 0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.151 0.939 0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.979 -0.515 1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.041 2.041 -1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.197 2.836 0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.448 2.971 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.811 -0.881 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.570 -1.032 -0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.729 0.445 -1.374 1.00 0.00 H new ATOM 1288 N LYS A 106 -9.936 1.950 2.186 1.00 0.00 N ATOM 1289 CA LYS A 106 -11.120 2.797 2.284 1.00 0.00 C ATOM 1290 C LYS A 106 -11.357 3.234 3.727 1.00 0.00 C ATOM 1291 O LYS A 106 -11.860 4.329 3.978 1.00 0.00 O ATOM 1292 CB LYS A 106 -12.350 2.066 1.743 1.00 0.00 C ATOM 1293 CG LYS A 106 -12.329 1.828 0.240 1.00 0.00 C ATOM 1294 CD LYS A 106 -13.614 1.163 -0.232 1.00 0.00 C ATOM 1295 CE LYS A 106 -13.766 -0.232 0.355 1.00 0.00 C ATOM 1296 NZ LYS A 106 -14.946 -0.945 -0.202 1.00 0.00 N ATOM 0 H LYS A 106 -10.133 0.975 1.958 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.949 3.687 1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.438 1.105 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.240 2.642 1.995 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.196 2.777 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.476 1.201 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.469 1.775 0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.616 1.103 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.864 -0.810 0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.863 -0.161 1.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.003 -1.897 0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.811 -0.416 0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.850 -1.021 -1.235 1.00 0.00 H new ATOM 1310 N ASN A 107 -10.993 2.372 4.669 1.00 0.00 N ATOM 1311 CA ASN A 107 -11.160 2.673 6.086 1.00 0.00 C ATOM 1312 C ASN A 107 -10.466 3.983 6.449 1.00 0.00 C ATOM 1313 O ASN A 107 -11.063 4.861 7.073 1.00 0.00 O ATOM 1314 CB ASN A 107 -10.644 1.544 6.960 1.00 0.00 C ATOM 1315 CG ASN A 107 -10.882 1.758 8.428 1.00 0.00 C ATOM 1316 OD1 ASN A 107 -12.028 1.812 8.891 1.00 0.00 O ATOM 1317 ND2 ASN A 107 -9.810 1.961 9.151 1.00 0.00 N ATOM 0 H ASN A 107 -10.580 1.459 4.477 1.00 0.00 H new ATOM 0 HA ASN A 107 -12.229 2.781 6.272 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -11.123 0.613 6.656 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -9.574 1.424 6.788 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.898 2.175 10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.887 1.905 8.721 1.00 0.00 H new ATOM 1324 N ARG A 108 -9.203 4.107 6.052 1.00 0.00 N ATOM 1325 CA ARG A 108 -8.444 5.329 6.292 1.00 0.00 C ATOM 1326 C ARG A 108 -8.913 6.451 5.371 1.00 0.00 C ATOM 1327 O ARG A 108 -8.974 7.614 5.774 1.00 0.00 O ATOM 1328 CB ARG A 108 -6.943 5.104 6.182 1.00 0.00 C ATOM 1329 CG ARG A 108 -6.328 4.317 7.328 1.00 0.00 C ATOM 1330 CD ARG A 108 -4.858 4.131 7.222 1.00 0.00 C ATOM 1331 NE ARG A 108 -4.082 5.345 7.420 1.00 0.00 N ATOM 1332 CZ ARG A 108 -3.861 5.927 8.615 1.00 0.00 C ATOM 1333 NH1 ARG A 108 -4.385 5.434 9.715 1.00 0.00 N ATOM 1334 NH2 ARG A 108 -3.123 7.022 8.649 1.00 0.00 N ATOM 0 H ARG A 108 -8.685 3.377 5.563 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.638 5.635 7.320 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.736 4.580 5.249 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.449 6.073 6.120 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.551 4.827 8.265 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.804 3.338 7.377 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -4.544 3.390 7.957 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.626 3.723 6.238 1.00 0.00 H new ATOM 0 HE ARG A 108 -3.676 5.787 6.595 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.969 4.599 9.672 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.208 5.887 10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -2.738 7.404 7.785 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.938 7.485 9.539 1.00 0.00 H new ATOM 1348 N LEU A 109 -9.245 6.095 4.135 1.00 0.00 N ATOM 1349 CA LEU A 109 -9.685 7.076 3.149 1.00 0.00 C ATOM 1350 C LEU A 109 -11.006 7.715 3.568 1.00 0.00 C ATOM 1351 O LEU A 109 -11.209 8.916 3.393 1.00 0.00 O ATOM 1352 CB LEU A 109 -9.820 6.418 1.770 1.00 0.00 C ATOM 1353 CG LEU A 109 -10.231 7.364 0.634 1.00 0.00 C ATOM 1354 CD1 LEU A 109 -9.206 8.482 0.491 1.00 0.00 C ATOM 1355 CD2 LEU A 109 -10.354 6.577 -0.663 1.00 0.00 C ATOM 0 H LEU A 109 -9.218 5.135 3.792 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.933 7.863 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -8.867 5.956 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.555 5.616 1.838 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.197 7.813 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.505 9.149 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.149 9.044 1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.229 8.054 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -10.646 7.249 -1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.395 6.118 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.109 5.800 -0.547 1.00 0.00 H new ATOM 1367 N LYS A 110 -11.899 6.904 4.124 1.00 0.00 N ATOM 1368 CA LYS A 110 -13.172 7.401 4.631 1.00 0.00 C ATOM 1369 C LYS A 110 -12.958 8.329 5.822 1.00 0.00 C ATOM 1370 O LYS A 110 -13.726 9.266 6.037 1.00 0.00 O ATOM 1371 CB LYS A 110 -14.085 6.238 5.025 1.00 0.00 C ATOM 1372 CG LYS A 110 -14.681 5.480 3.847 1.00 0.00 C ATOM 1373 CD LYS A 110 -15.554 4.326 4.316 1.00 0.00 C ATOM 1374 CE LYS A 110 -16.157 3.573 3.139 1.00 0.00 C ATOM 1375 NZ LYS A 110 -17.038 2.459 3.584 1.00 0.00 N ATOM 0 H LYS A 110 -11.764 5.899 4.235 1.00 0.00 H new ATOM 0 HA LYS A 110 -13.653 7.969 3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.519 5.540 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -14.897 6.622 5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -15.273 6.161 3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -13.879 5.099 3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -14.961 3.642 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.352 4.707 4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -16.730 4.264 2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.357 3.176 2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -17.429 1.972 2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -16.486 1.785 4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.816 2.840 4.159 1.00 0.00 H new ATOM 1389 N GLU A 111 -11.909 8.063 6.594 1.00 0.00 N ATOM 1390 CA GLU A 111 -11.531 8.936 7.699 1.00 0.00 C ATOM 1391 C GLU A 111 -10.952 10.249 7.181 1.00 0.00 C ATOM 1392 O GLU A 111 -11.074 11.293 7.823 1.00 0.00 O ATOM 1393 CB GLU A 111 -10.524 8.238 8.615 1.00 0.00 C ATOM 1394 CG GLU A 111 -11.110 7.104 9.445 1.00 0.00 C ATOM 1395 CD GLU A 111 -10.045 6.406 10.245 1.00 0.00 C ATOM 1396 OE1 GLU A 111 -8.898 6.759 10.107 1.00 0.00 O ATOM 1397 OE2 GLU A 111 -10.389 5.598 11.076 1.00 0.00 O ATOM 0 H GLU A 111 -11.306 7.249 6.474 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.429 9.160 8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.710 7.844 8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.090 8.978 9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.873 7.498 10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.603 6.387 8.789 1.00 0.00 H new ATOM 1404 N LEU A 112 -10.317 10.189 6.015 1.00 0.00 N ATOM 1405 CA LEU A 112 -9.764 11.381 5.383 1.00 0.00 C ATOM 1406 C LEU A 112 -10.871 12.250 4.796 1.00 0.00 C ATOM 1407 O LEU A 112 -10.750 13.473 4.735 1.00 0.00 O ATOM 1408 CB LEU A 112 -8.758 10.987 4.293 1.00 0.00 C ATOM 1409 CG LEU A 112 -7.502 10.261 4.796 1.00 0.00 C ATOM 1410 CD1 LEU A 112 -6.701 9.729 3.616 1.00 0.00 C ATOM 1411 CD2 LEU A 112 -6.663 11.216 5.631 1.00 0.00 C ATOM 0 H LEU A 112 -10.173 9.327 5.489 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.246 11.962 6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.263 10.347 3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.450 11.888 3.762 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.794 9.416 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.812 9.216 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.314 9.031 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.403 10.559 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.772 10.700 5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.368 12.070 5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.247 11.563 6.483 1.00 0.00 H new