USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 423 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 34 HIS : no HD1:sc= -0.183 X(o=-0.19,f=-0.027) USER MOD Set 1.2: A 36 SER OG : rot 180:sc=-0.00365 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -26:sc= 0.468 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.972 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -4.37! C(o=-4.4!,f=-11!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0356 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.015 USER MOD Single : A 51 GLN : amide:sc= -2.3 K(o=-2.3,f=-10!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0631 K(o=-0.063,f=-2.5!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N VAL A 8 10.997 -2.674 5.829 1.00 0.00 N ATOM 110 CA VAL A 8 9.545 -2.588 6.157 1.00 0.00 C ATOM 111 C VAL A 8 9.131 -1.118 6.245 1.00 0.00 C ATOM 112 O VAL A 8 9.939 -0.253 6.521 1.00 0.00 O ATOM 113 CB VAL A 8 9.291 -3.274 7.499 1.00 0.00 C ATOM 114 CG1 VAL A 8 7.836 -3.059 7.917 1.00 0.00 C ATOM 115 CG2 VAL A 8 9.564 -4.772 7.359 1.00 0.00 C ATOM 0 HA VAL A 8 8.962 -3.082 5.380 1.00 0.00 H new ATOM 0 HB VAL A 8 9.951 -2.850 8.256 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.656 -3.549 8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.639 -1.991 8.013 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.174 -3.484 7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.384 -5.265 8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.902 -5.193 6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.601 -4.927 7.060 1.00 0.00 H new ATOM 125 N TYR A 9 7.882 -0.821 6.006 1.00 0.00 N ATOM 126 CA TYR A 9 7.435 0.601 6.072 1.00 0.00 C ATOM 127 C TYR A 9 6.131 0.709 6.863 1.00 0.00 C ATOM 128 O TYR A 9 5.662 -0.239 7.460 1.00 0.00 O ATOM 129 CB TYR A 9 7.194 1.135 4.654 1.00 0.00 C ATOM 130 CG TYR A 9 8.509 1.500 4.011 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.460 0.508 3.744 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.774 2.833 3.677 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.678 0.850 3.144 1.00 0.00 C ATOM 134 CE2 TYR A 9 9.990 3.176 3.077 1.00 0.00 C ATOM 135 CZ TYR A 9 10.942 2.184 2.810 1.00 0.00 C ATOM 136 OH TYR A 9 12.143 2.520 2.221 1.00 0.00 O ATOM 0 H TYR A 9 7.155 -1.497 5.769 1.00 0.00 H new ATOM 0 HA TYR A 9 8.212 1.185 6.565 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.683 0.382 4.054 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.543 2.008 4.691 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.254 -0.521 4.001 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.039 3.597 3.883 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.413 0.086 2.939 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.195 4.205 2.820 1.00 0.00 H new ATOM 0 HH TYR A 9 12.166 3.485 2.053 1.00 0.00 H new ATOM 146 N THR A 10 5.545 1.872 6.850 1.00 0.00 N ATOM 147 CA THR A 10 4.261 2.100 7.568 1.00 0.00 C ATOM 148 C THR A 10 3.608 3.331 6.947 1.00 0.00 C ATOM 149 O THR A 10 4.187 4.399 6.930 1.00 0.00 O ATOM 150 CB THR A 10 4.528 2.351 9.054 1.00 0.00 C ATOM 151 OG1 THR A 10 5.360 1.318 9.566 1.00 0.00 O ATOM 152 CG2 THR A 10 3.202 2.367 9.817 1.00 0.00 C ATOM 0 H THR A 10 5.909 2.691 6.362 1.00 0.00 H new ATOM 0 HA THR A 10 3.612 1.229 7.481 1.00 0.00 H new ATOM 0 HB THR A 10 5.026 3.313 9.176 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.239 0.506 9.031 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.393 2.546 10.875 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.566 3.160 9.424 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.701 1.407 9.696 1.00 0.00 H new ATOM 160 N GLY A 11 2.428 3.203 6.409 1.00 0.00 N ATOM 161 CA GLY A 11 1.800 4.392 5.767 1.00 0.00 C ATOM 162 C GLY A 11 0.356 4.568 6.231 1.00 0.00 C ATOM 163 O GLY A 11 -0.252 3.674 6.784 1.00 0.00 O ATOM 0 H GLY A 11 1.879 2.344 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.375 5.286 6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.826 4.280 4.683 1.00 0.00 H new ATOM 167 N LYS A 12 -0.193 5.726 5.990 1.00 0.00 N ATOM 168 CA LYS A 12 -1.601 5.994 6.390 1.00 0.00 C ATOM 169 C LYS A 12 -2.478 5.878 5.147 1.00 0.00 C ATOM 170 O LYS A 12 -1.988 5.827 4.040 1.00 0.00 O ATOM 171 CB LYS A 12 -1.723 7.413 6.964 1.00 0.00 C ATOM 172 CG LYS A 12 -0.348 7.915 7.417 1.00 0.00 C ATOM 173 CD LYS A 12 -0.521 9.042 8.438 1.00 0.00 C ATOM 174 CE LYS A 12 0.725 9.931 8.431 1.00 0.00 C ATOM 175 NZ LYS A 12 0.316 11.359 8.311 1.00 0.00 N ATOM 0 H LYS A 12 0.278 6.504 5.529 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.914 5.278 7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.134 8.085 6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.416 7.415 7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.222 7.097 7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.220 8.273 6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.404 9.633 8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.678 8.625 9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.297 9.781 9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.376 9.657 7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.162 11.963 8.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.212 11.496 7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.288 11.616 9.117 1.00 0.00 H new ATOM 189 N VAL A 13 -3.766 5.847 5.304 1.00 0.00 N ATOM 190 CA VAL A 13 -4.632 5.740 4.104 1.00 0.00 C ATOM 191 C VAL A 13 -4.920 7.148 3.588 1.00 0.00 C ATOM 192 O VAL A 13 -5.763 7.853 4.108 1.00 0.00 O ATOM 193 CB VAL A 13 -5.945 5.049 4.473 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.873 5.030 3.258 1.00 0.00 C ATOM 195 CG2 VAL A 13 -5.658 3.614 4.916 1.00 0.00 C ATOM 0 H VAL A 13 -4.253 5.890 6.199 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.131 5.154 3.334 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.424 5.593 5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.809 4.537 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.078 6.052 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.394 4.487 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.594 3.121 5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.178 3.071 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.998 3.626 5.783 1.00 0.00 H new ATOM 205 N THR A 14 -4.208 7.572 2.582 1.00 0.00 N ATOM 206 CA THR A 14 -4.420 8.945 2.048 1.00 0.00 C ATOM 207 C THR A 14 -5.179 8.884 0.719 1.00 0.00 C ATOM 208 O THR A 14 -5.506 9.901 0.141 1.00 0.00 O ATOM 209 CB THR A 14 -3.062 9.625 1.832 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.639 9.418 0.490 1.00 0.00 O ATOM 211 CG2 THR A 14 -2.026 9.038 2.792 1.00 0.00 C ATOM 0 H THR A 14 -3.489 7.027 2.107 1.00 0.00 H new ATOM 0 HA THR A 14 -5.008 9.518 2.765 1.00 0.00 H new ATOM 0 HB THR A 14 -3.160 10.693 2.024 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.772 9.853 0.349 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.064 9.526 2.632 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.349 9.201 3.820 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.925 7.968 2.609 1.00 0.00 H new ATOM 219 N ARG A 15 -5.466 7.708 0.225 1.00 0.00 N ATOM 220 CA ARG A 15 -6.204 7.615 -1.070 1.00 0.00 C ATOM 221 C ARG A 15 -6.734 6.191 -1.276 1.00 0.00 C ATOM 222 O ARG A 15 -6.208 5.234 -0.742 1.00 0.00 O ATOM 223 CB ARG A 15 -5.262 7.981 -2.222 1.00 0.00 C ATOM 224 CG ARG A 15 -5.334 9.486 -2.485 1.00 0.00 C ATOM 225 CD ARG A 15 -3.985 10.126 -2.153 1.00 0.00 C ATOM 226 NE ARG A 15 -3.325 10.572 -3.412 1.00 0.00 N ATOM 227 CZ ARG A 15 -3.236 11.844 -3.685 1.00 0.00 C ATOM 228 NH1 ARG A 15 -2.546 12.633 -2.905 1.00 0.00 N ATOM 229 NH2 ARG A 15 -3.833 12.330 -4.738 1.00 0.00 N ATOM 0 H ARG A 15 -5.224 6.816 0.657 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.046 8.307 -1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.240 7.693 -1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.540 7.431 -3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.590 9.672 -3.528 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.121 9.935 -1.879 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.128 10.975 -1.484 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.350 9.411 -1.630 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.943 9.883 -4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.077 12.254 -2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.476 13.628 -3.119 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.370 11.715 -5.349 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.763 13.325 -4.950 1.00 0.00 H new ATOM 243 N ILE A 16 -7.774 6.051 -2.057 1.00 0.00 N ATOM 244 CA ILE A 16 -8.355 4.702 -2.325 1.00 0.00 C ATOM 245 C ILE A 16 -8.852 4.665 -3.774 1.00 0.00 C ATOM 246 O ILE A 16 -9.095 5.694 -4.373 1.00 0.00 O ATOM 247 CB ILE A 16 -9.519 4.443 -1.363 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.012 4.562 0.080 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.074 3.035 -1.601 1.00 0.00 C ATOM 250 CD1 ILE A 16 -10.102 4.106 1.053 1.00 0.00 C ATOM 0 H ILE A 16 -8.250 6.822 -2.525 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.600 3.930 -2.175 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.310 5.173 -1.534 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.117 3.954 0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.731 5.594 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.902 2.850 -0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.427 2.952 -2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.288 2.300 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.736 4.193 2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.985 4.732 0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.362 3.068 0.848 1.00 0.00 H new ATOM 262 N VAL A 17 -8.989 3.502 -4.361 1.00 0.00 N ATOM 263 CA VAL A 17 -9.451 3.451 -5.781 1.00 0.00 C ATOM 264 C VAL A 17 -10.438 2.283 -5.978 1.00 0.00 C ATOM 265 O VAL A 17 -10.421 1.309 -5.255 1.00 0.00 O ATOM 266 CB VAL A 17 -8.228 3.298 -6.716 1.00 0.00 C ATOM 267 CG1 VAL A 17 -6.952 3.731 -5.997 1.00 0.00 C ATOM 268 CG2 VAL A 17 -8.054 1.847 -7.142 1.00 0.00 C ATOM 0 H VAL A 17 -8.804 2.598 -3.926 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.969 4.378 -6.027 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.403 3.925 -7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.100 3.618 -6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.040 4.775 -5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.803 3.110 -5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.188 1.762 -7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.903 1.225 -6.260 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.946 1.514 -7.672 1.00 0.00 H new ATOM 278 N ASP A 18 -11.287 2.363 -6.966 1.00 0.00 N ATOM 279 CA ASP A 18 -12.254 1.252 -7.204 1.00 0.00 C ATOM 280 C ASP A 18 -11.484 -0.042 -7.494 1.00 0.00 C ATOM 281 O ASP A 18 -11.840 -1.107 -7.029 1.00 0.00 O ATOM 282 CB ASP A 18 -13.143 1.598 -8.401 1.00 0.00 C ATOM 283 CG ASP A 18 -14.486 0.878 -8.267 1.00 0.00 C ATOM 284 OD1 ASP A 18 -14.677 0.202 -7.269 1.00 0.00 O ATOM 285 OD2 ASP A 18 -15.301 1.016 -9.164 1.00 0.00 O ATOM 0 H ASP A 18 -11.354 3.146 -7.617 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.875 1.114 -6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.300 2.675 -8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.652 1.304 -9.329 1.00 0.00 H new ATOM 290 N PHE A 19 -10.433 0.042 -8.264 1.00 0.00 N ATOM 291 CA PHE A 19 -9.638 -1.179 -8.593 1.00 0.00 C ATOM 292 C PHE A 19 -8.535 -1.384 -7.550 1.00 0.00 C ATOM 293 O PHE A 19 -7.525 -2.000 -7.830 1.00 0.00 O ATOM 294 CB PHE A 19 -8.991 -1.008 -9.972 1.00 0.00 C ATOM 295 CG PHE A 19 -8.403 0.378 -10.067 1.00 0.00 C ATOM 296 CD1 PHE A 19 -7.154 0.651 -9.496 1.00 0.00 C ATOM 297 CD2 PHE A 19 -9.118 1.397 -10.709 1.00 0.00 C ATOM 298 CE1 PHE A 19 -6.621 1.944 -9.566 1.00 0.00 C ATOM 299 CE2 PHE A 19 -8.585 2.688 -10.776 1.00 0.00 C ATOM 300 CZ PHE A 19 -7.338 2.962 -10.202 1.00 0.00 C ATOM 0 H PHE A 19 -10.088 0.906 -8.682 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.301 -2.044 -8.595 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.214 -1.758 -10.120 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.732 -1.158 -10.757 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.602 -0.135 -9.002 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.080 1.186 -11.152 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.656 2.155 -9.129 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.136 3.474 -11.271 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.929 3.961 -10.250 1.00 0.00 H new ATOM 310 N GLY A 20 -8.700 -0.875 -6.355 1.00 0.00 N ATOM 311 CA GLY A 20 -7.630 -1.061 -5.331 1.00 0.00 C ATOM 312 C GLY A 20 -7.676 0.056 -4.280 1.00 0.00 C ATOM 313 O GLY A 20 -8.715 0.593 -3.962 1.00 0.00 O ATOM 0 H GLY A 20 -9.517 -0.347 -6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.752 -2.029 -4.844 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.654 -1.069 -5.817 1.00 0.00 H new ATOM 317 N ALA A 21 -6.542 0.402 -3.736 1.00 0.00 N ATOM 318 CA ALA A 21 -6.492 1.474 -2.707 1.00 0.00 C ATOM 319 C ALA A 21 -5.096 2.085 -2.714 1.00 0.00 C ATOM 320 O ALA A 21 -4.127 1.418 -2.991 1.00 0.00 O ATOM 321 CB ALA A 21 -6.760 0.881 -1.325 1.00 0.00 C ATOM 0 H ALA A 21 -5.640 -0.017 -3.964 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.246 2.229 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.722 1.672 -0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.746 0.417 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.003 0.130 -1.098 1.00 0.00 H new ATOM 327 N PHE A 22 -4.988 3.346 -2.418 1.00 0.00 N ATOM 328 CA PHE A 22 -3.656 4.005 -2.399 1.00 0.00 C ATOM 329 C PHE A 22 -3.274 4.303 -0.947 1.00 0.00 C ATOM 330 O PHE A 22 -4.116 4.332 -0.072 1.00 0.00 O ATOM 331 CB PHE A 22 -3.732 5.314 -3.188 1.00 0.00 C ATOM 332 CG PHE A 22 -3.795 5.031 -4.672 1.00 0.00 C ATOM 333 CD1 PHE A 22 -3.873 3.713 -5.144 1.00 0.00 C ATOM 334 CD2 PHE A 22 -3.774 6.094 -5.580 1.00 0.00 C ATOM 335 CE1 PHE A 22 -3.925 3.459 -6.516 1.00 0.00 C ATOM 336 CE2 PHE A 22 -3.828 5.840 -6.957 1.00 0.00 C ATOM 337 CZ PHE A 22 -3.901 4.522 -7.423 1.00 0.00 C ATOM 0 H PHE A 22 -5.773 3.955 -2.186 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.908 3.353 -2.850 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.611 5.880 -2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.862 5.931 -2.966 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.893 2.891 -4.444 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.716 7.111 -5.220 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.984 2.442 -6.876 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.813 6.661 -7.659 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.939 4.326 -8.484 1.00 0.00 H new ATOM 347 N VAL A 23 -2.017 4.522 -0.679 1.00 0.00 N ATOM 348 CA VAL A 23 -1.597 4.817 0.722 1.00 0.00 C ATOM 349 C VAL A 23 -0.349 5.708 0.701 1.00 0.00 C ATOM 350 O VAL A 23 0.296 5.861 -0.315 1.00 0.00 O ATOM 351 CB VAL A 23 -1.317 3.492 1.448 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.351 3.708 2.616 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.633 2.937 1.993 1.00 0.00 C ATOM 0 H VAL A 23 -1.263 4.510 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.388 5.347 1.253 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.867 2.793 0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.166 2.757 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.590 4.109 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.788 4.412 3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.445 1.996 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.069 3.653 2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.325 2.765 1.168 1.00 0.00 H new ATOM 363 N ALA A 24 -0.009 6.307 1.813 1.00 0.00 N ATOM 364 CA ALA A 24 1.192 7.193 1.844 1.00 0.00 C ATOM 365 C ALA A 24 2.127 6.764 2.982 1.00 0.00 C ATOM 366 O ALA A 24 1.689 6.251 3.993 1.00 0.00 O ATOM 367 CB ALA A 24 0.744 8.640 2.070 1.00 0.00 C ATOM 0 H ALA A 24 -0.509 6.221 2.698 1.00 0.00 H new ATOM 0 HA ALA A 24 1.724 7.115 0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.617 9.292 2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.084 8.947 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.212 8.712 3.018 1.00 0.00 H new ATOM 373 N ILE A 25 3.413 6.976 2.832 1.00 0.00 N ATOM 374 CA ILE A 25 4.360 6.582 3.917 1.00 0.00 C ATOM 375 C ILE A 25 4.987 7.838 4.525 1.00 0.00 C ATOM 376 O ILE A 25 6.062 7.796 5.091 1.00 0.00 O ATOM 377 CB ILE A 25 5.467 5.686 3.351 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.765 6.083 1.902 1.00 0.00 C ATOM 379 CG2 ILE A 25 5.020 4.224 3.393 1.00 0.00 C ATOM 380 CD1 ILE A 25 6.750 5.083 1.292 1.00 0.00 C ATOM 0 H ILE A 25 3.843 7.402 2.011 1.00 0.00 H new ATOM 0 HA ILE A 25 3.813 6.033 4.684 1.00 0.00 H new ATOM 0 HB ILE A 25 6.367 5.809 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.843 6.101 1.322 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.183 7.089 1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.810 3.590 2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.814 3.936 4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.117 4.102 2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.963 5.365 0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.676 5.087 1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.314 4.084 1.313 1.00 0.00 H new ATOM 413 N LYS A 29 7.200 9.979 -0.035 1.00 0.00 N ATOM 414 CA LYS A 29 6.893 8.736 -0.797 1.00 0.00 C ATOM 415 C LYS A 29 5.536 8.189 -0.348 1.00 0.00 C ATOM 416 O LYS A 29 5.087 8.424 0.761 1.00 0.00 O ATOM 417 CB LYS A 29 7.983 7.694 -0.537 1.00 0.00 C ATOM 418 CG LYS A 29 9.356 8.366 -0.611 1.00 0.00 C ATOM 419 CD LYS A 29 9.593 8.899 -2.026 1.00 0.00 C ATOM 420 CE LYS A 29 10.193 7.791 -2.895 1.00 0.00 C ATOM 421 NZ LYS A 29 10.199 8.228 -4.321 1.00 0.00 N ATOM 0 HA LYS A 29 6.858 8.959 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.841 7.239 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.918 6.892 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.412 9.182 0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.136 7.652 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.654 9.246 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.266 9.756 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.208 7.567 -2.568 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.613 6.874 -2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.606 7.476 -4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.225 8.421 -4.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.770 9.092 -4.417 1.00 0.00 H new ATOM 435 N GLU A 30 4.867 7.467 -1.201 1.00 0.00 N ATOM 436 CA GLU A 30 3.538 6.929 -0.812 1.00 0.00 C ATOM 437 C GLU A 30 3.463 5.428 -1.102 1.00 0.00 C ATOM 438 O GLU A 30 4.107 4.922 -2.000 1.00 0.00 O ATOM 439 CB GLU A 30 2.447 7.658 -1.599 1.00 0.00 C ATOM 440 CG GLU A 30 2.653 7.422 -3.096 1.00 0.00 C ATOM 441 CD GLU A 30 1.374 6.841 -3.700 1.00 0.00 C ATOM 442 OE1 GLU A 30 0.444 7.601 -3.911 1.00 0.00 O ATOM 443 OE2 GLU A 30 1.346 5.646 -3.941 1.00 0.00 O ATOM 0 H GLU A 30 5.180 7.228 -2.142 1.00 0.00 H new ATOM 0 HA GLU A 30 3.391 7.086 0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.464 7.299 -1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.478 8.725 -1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.909 8.359 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.487 6.739 -3.256 1.00 0.00 H new ATOM 450 N GLY A 31 2.662 4.721 -0.352 1.00 0.00 N ATOM 451 CA GLY A 31 2.511 3.256 -0.573 1.00 0.00 C ATOM 452 C GLY A 31 1.237 3.017 -1.383 1.00 0.00 C ATOM 453 O GLY A 31 0.592 3.952 -1.816 1.00 0.00 O ATOM 0 H GLY A 31 2.101 5.100 0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.377 2.862 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.457 2.732 0.381 1.00 0.00 H new ATOM 457 N LEU A 32 0.856 1.787 -1.597 1.00 0.00 N ATOM 458 CA LEU A 32 -0.383 1.543 -2.383 1.00 0.00 C ATOM 459 C LEU A 32 -1.071 0.249 -1.954 1.00 0.00 C ATOM 460 O LEU A 32 -0.513 -0.825 -2.051 1.00 0.00 O ATOM 461 CB LEU A 32 -0.049 1.429 -3.864 1.00 0.00 C ATOM 462 CG LEU A 32 -1.325 1.700 -4.650 1.00 0.00 C ATOM 463 CD1 LEU A 32 -1.172 3.007 -5.402 1.00 0.00 C ATOM 464 CD2 LEU A 32 -1.596 0.569 -5.640 1.00 0.00 C ATOM 0 H LEU A 32 1.342 0.953 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.051 2.385 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.727 2.144 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.338 0.436 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.164 1.762 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.081 3.210 -5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.998 3.816 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.327 2.936 -6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.512 0.780 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.762 0.488 -6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.708 -0.370 -5.098 1.00 0.00 H new ATOM 476 N VAL A 33 -2.300 0.337 -1.532 1.00 0.00 N ATOM 477 CA VAL A 33 -3.048 -0.888 -1.157 1.00 0.00 C ATOM 478 C VAL A 33 -3.850 -1.335 -2.379 1.00 0.00 C ATOM 479 O VAL A 33 -5.066 -1.350 -2.370 1.00 0.00 O ATOM 480 CB VAL A 33 -4.008 -0.581 -0.011 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.738 -1.857 0.411 1.00 0.00 C ATOM 482 CG2 VAL A 33 -3.223 -0.025 1.176 1.00 0.00 C ATOM 0 H VAL A 33 -2.819 1.209 -1.431 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.358 -1.668 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.739 0.157 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.422 -1.631 1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.302 -2.250 -0.435 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.011 -2.600 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.908 0.194 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.490 -0.761 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.710 0.889 0.877 1.00 0.00 H new ATOM 492 N HIS A 34 -3.185 -1.673 -3.448 1.00 0.00 N ATOM 493 CA HIS A 34 -3.931 -2.099 -4.659 1.00 0.00 C ATOM 494 C HIS A 34 -4.948 -3.175 -4.260 1.00 0.00 C ATOM 495 O HIS A 34 -4.786 -3.860 -3.270 1.00 0.00 O ATOM 496 CB HIS A 34 -2.964 -2.667 -5.698 1.00 0.00 C ATOM 497 CG HIS A 34 -3.575 -2.534 -7.066 1.00 0.00 C ATOM 498 ND1 HIS A 34 -3.667 -3.603 -7.941 1.00 0.00 N ATOM 499 CD2 HIS A 34 -4.134 -1.462 -7.721 1.00 0.00 C ATOM 500 CE1 HIS A 34 -4.261 -3.158 -9.064 1.00 0.00 C ATOM 501 NE2 HIS A 34 -4.566 -1.859 -8.982 1.00 0.00 N ATOM 0 H HIS A 34 -2.169 -1.672 -3.534 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.446 -1.241 -5.091 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.014 -2.135 -5.658 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.752 -3.714 -5.481 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.224 -0.464 -7.318 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.466 -3.775 -9.926 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.018 -1.283 -9.692 1.00 0.00 H new ATOM 509 N ILE A 35 -5.997 -3.317 -5.018 1.00 0.00 N ATOM 510 CA ILE A 35 -7.038 -4.332 -4.695 1.00 0.00 C ATOM 511 C ILE A 35 -6.395 -5.681 -4.357 1.00 0.00 C ATOM 512 O ILE A 35 -6.717 -6.293 -3.357 1.00 0.00 O ATOM 513 CB ILE A 35 -7.958 -4.487 -5.906 1.00 0.00 C ATOM 514 CG1 ILE A 35 -8.925 -5.650 -5.674 1.00 0.00 C ATOM 515 CG2 ILE A 35 -7.110 -4.768 -7.149 1.00 0.00 C ATOM 516 CD1 ILE A 35 -9.891 -5.293 -4.542 1.00 0.00 C ATOM 0 H ILE A 35 -6.180 -2.767 -5.857 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.607 -4.001 -3.826 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.529 -3.569 -6.050 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.481 -5.862 -6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.370 -6.553 -5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.761 -4.880 -8.016 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.423 -3.939 -7.316 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.542 -5.686 -7.002 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.580 -6.121 -4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.327 -5.102 -3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.455 -4.401 -4.813 1.00 0.00 H new ATOM 528 N SER A 36 -5.502 -6.162 -5.181 1.00 0.00 N ATOM 529 CA SER A 36 -4.859 -7.480 -4.897 1.00 0.00 C ATOM 530 C SER A 36 -3.714 -7.314 -3.887 1.00 0.00 C ATOM 531 O SER A 36 -2.665 -7.910 -4.033 1.00 0.00 O ATOM 532 CB SER A 36 -4.304 -8.067 -6.195 1.00 0.00 C ATOM 533 OG SER A 36 -4.587 -7.183 -7.272 1.00 0.00 O ATOM 0 H SER A 36 -5.190 -5.701 -6.036 1.00 0.00 H new ATOM 0 HA SER A 36 -5.608 -8.150 -4.475 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.228 -8.219 -6.108 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.749 -9.044 -6.385 1.00 0.00 H new ATOM 0 HG SER A 36 -4.230 -7.557 -8.105 1.00 0.00 H new ATOM 539 N GLN A 37 -3.898 -6.521 -2.865 1.00 0.00 N ATOM 540 CA GLN A 37 -2.804 -6.342 -1.864 1.00 0.00 C ATOM 541 C GLN A 37 -3.399 -6.037 -0.486 1.00 0.00 C ATOM 542 O GLN A 37 -3.022 -5.078 0.157 1.00 0.00 O ATOM 543 CB GLN A 37 -1.905 -5.179 -2.290 1.00 0.00 C ATOM 544 CG GLN A 37 -1.526 -5.332 -3.764 1.00 0.00 C ATOM 545 CD GLN A 37 -0.452 -4.302 -4.123 1.00 0.00 C ATOM 546 OE1 GLN A 37 -0.603 -3.556 -5.070 1.00 0.00 O ATOM 547 NE2 GLN A 37 0.634 -4.229 -3.403 1.00 0.00 N ATOM 0 H GLN A 37 -4.751 -5.993 -2.680 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.220 -7.261 -1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.421 -4.232 -2.134 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.006 -5.157 -1.674 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.156 -6.340 -3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.405 -5.192 -4.393 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.762 -4.855 -2.608 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.355 -3.546 -3.635 1.00 0.00 H new ATOM 556 N ILE A 38 -4.324 -6.834 -0.023 1.00 0.00 N ATOM 557 CA ILE A 38 -4.922 -6.562 1.316 1.00 0.00 C ATOM 558 C ILE A 38 -4.842 -7.812 2.198 1.00 0.00 C ATOM 559 O ILE A 38 -3.844 -8.073 2.839 1.00 0.00 O ATOM 560 CB ILE A 38 -6.391 -6.140 1.169 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.473 -4.714 0.615 1.00 0.00 C ATOM 562 CG2 ILE A 38 -7.057 -6.174 2.545 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.821 -4.654 -0.765 1.00 0.00 C ATOM 0 H ILE A 38 -4.689 -7.654 -0.508 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.359 -5.754 1.783 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.895 -6.823 0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.515 -4.400 0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.974 -4.022 1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.101 -5.876 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.003 -7.184 2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.542 -5.486 3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.883 -3.637 -1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.775 -4.949 -0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.339 -5.333 -1.442 1.00 0.00 H new ATOM 575 N ALA A 39 -5.900 -8.570 2.245 1.00 0.00 N ATOM 576 CA ALA A 39 -5.918 -9.793 3.094 1.00 0.00 C ATOM 577 C ALA A 39 -5.664 -11.028 2.232 1.00 0.00 C ATOM 578 O ALA A 39 -6.423 -11.976 2.261 1.00 0.00 O ATOM 579 CB ALA A 39 -7.289 -9.915 3.761 1.00 0.00 C ATOM 0 H ALA A 39 -6.761 -8.393 1.727 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.138 -9.720 3.852 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.312 -10.808 4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.473 -9.036 4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.061 -9.988 2.995 1.00 0.00 H new ATOM 643 N VAL A 43 -10.987 -9.489 -0.619 1.00 0.00 N ATOM 644 CA VAL A 43 -11.335 -8.068 -0.326 1.00 0.00 C ATOM 645 C VAL A 43 -12.262 -7.554 -1.430 1.00 0.00 C ATOM 646 O VAL A 43 -11.897 -6.700 -2.215 1.00 0.00 O ATOM 647 CB VAL A 43 -10.075 -7.207 -0.281 1.00 0.00 C ATOM 648 CG1 VAL A 43 -10.471 -5.735 -0.226 1.00 0.00 C ATOM 649 CG2 VAL A 43 -9.273 -7.561 0.966 1.00 0.00 C ATOM 0 HA VAL A 43 -11.829 -8.011 0.644 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.472 -7.389 -1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.573 -5.118 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.054 -5.482 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.069 -5.552 0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.371 -6.950 1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.878 -7.372 1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.996 -8.615 0.933 1.00 0.00 H new ATOM 659 N GLU A 44 -13.454 -8.081 -1.503 1.00 0.00 N ATOM 660 CA GLU A 44 -14.407 -7.643 -2.561 1.00 0.00 C ATOM 661 C GLU A 44 -14.411 -6.116 -2.667 1.00 0.00 C ATOM 662 O GLU A 44 -14.715 -5.560 -3.704 1.00 0.00 O ATOM 663 CB GLU A 44 -15.814 -8.134 -2.215 1.00 0.00 C ATOM 664 CG GLU A 44 -16.813 -7.590 -3.239 1.00 0.00 C ATOM 665 CD GLU A 44 -18.206 -8.144 -2.940 1.00 0.00 C ATOM 666 OE1 GLU A 44 -18.413 -8.605 -1.830 1.00 0.00 O ATOM 667 OE2 GLU A 44 -19.043 -8.098 -3.826 1.00 0.00 O ATOM 0 H GLU A 44 -13.810 -8.799 -0.872 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.096 -8.065 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.839 -9.224 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -16.089 -7.805 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.828 -6.501 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -16.507 -7.872 -4.246 1.00 0.00 H new ATOM 674 N LYS A 45 -14.085 -5.431 -1.607 1.00 0.00 N ATOM 675 CA LYS A 45 -14.084 -3.941 -1.662 1.00 0.00 C ATOM 676 C LYS A 45 -12.779 -3.397 -1.078 1.00 0.00 C ATOM 677 O LYS A 45 -12.365 -3.776 -0.002 1.00 0.00 O ATOM 678 CB LYS A 45 -15.262 -3.401 -0.849 1.00 0.00 C ATOM 679 CG LYS A 45 -16.477 -3.221 -1.762 1.00 0.00 C ATOM 680 CD LYS A 45 -17.755 -3.527 -0.977 1.00 0.00 C ATOM 681 CE LYS A 45 -18.421 -4.777 -1.555 1.00 0.00 C ATOM 682 NZ LYS A 45 -19.887 -4.543 -1.683 1.00 0.00 N ATOM 0 H LYS A 45 -13.820 -5.835 -0.709 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.174 -3.623 -2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.503 -4.088 -0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.995 -2.449 -0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.509 -2.201 -2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.399 -3.884 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.520 -3.681 0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.439 -2.680 -1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.993 -5.013 -2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.234 -5.634 -0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.341 -5.392 -2.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -20.289 -4.338 -0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.056 -3.736 -2.317 1.00 0.00 H new ATOM 696 N VAL A 46 -12.138 -2.494 -1.767 1.00 0.00 N ATOM 697 CA VAL A 46 -10.868 -1.915 -1.226 1.00 0.00 C ATOM 698 C VAL A 46 -11.234 -0.848 -0.198 1.00 0.00 C ATOM 699 O VAL A 46 -10.489 -0.568 0.722 1.00 0.00 O ATOM 700 CB VAL A 46 -10.011 -1.284 -2.341 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.641 -1.965 -2.378 1.00 0.00 C ATOM 702 CG2 VAL A 46 -10.688 -1.451 -3.705 1.00 0.00 C ATOM 0 H VAL A 46 -12.432 -2.132 -2.674 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.280 -2.712 -0.772 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.898 -0.221 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.034 -1.519 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.143 -1.832 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.769 -3.029 -2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.066 -0.999 -4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.818 -2.512 -3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.662 -0.962 -3.690 1.00 0.00 H new ATOM 712 N THR A 47 -12.394 -0.267 -0.340 1.00 0.00 N ATOM 713 CA THR A 47 -12.835 0.767 0.635 1.00 0.00 C ATOM 714 C THR A 47 -13.382 0.073 1.887 1.00 0.00 C ATOM 715 O THR A 47 -13.898 0.708 2.785 1.00 0.00 O ATOM 716 CB THR A 47 -13.935 1.626 0.005 1.00 0.00 C ATOM 717 OG1 THR A 47 -14.849 0.788 -0.689 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.308 2.620 -0.973 1.00 0.00 C ATOM 0 H THR A 47 -13.055 -0.465 -1.091 1.00 0.00 H new ATOM 0 HA THR A 47 -11.992 1.402 0.905 1.00 0.00 H new ATOM 0 HB THR A 47 -14.464 2.172 0.786 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.555 1.336 -1.091 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.091 3.232 -1.422 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.607 3.262 -0.440 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.779 2.076 -1.756 1.00 0.00 H new ATOM 726 N ASP A 48 -13.256 -1.226 1.959 1.00 0.00 N ATOM 727 CA ASP A 48 -13.751 -1.961 3.157 1.00 0.00 C ATOM 728 C ASP A 48 -12.542 -2.366 3.988 1.00 0.00 C ATOM 729 O ASP A 48 -12.624 -2.563 5.184 1.00 0.00 O ATOM 730 CB ASP A 48 -14.512 -3.216 2.722 1.00 0.00 C ATOM 731 CG ASP A 48 -15.889 -2.821 2.185 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.983 -1.780 1.556 1.00 0.00 O ATOM 733 OD2 ASP A 48 -16.828 -3.567 2.413 1.00 0.00 O ATOM 0 H ASP A 48 -12.831 -1.809 1.238 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.423 -1.328 3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.949 -3.747 1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.621 -3.898 3.565 1.00 0.00 H new ATOM 738 N TYR A 49 -11.414 -2.488 3.350 1.00 0.00 N ATOM 739 CA TYR A 49 -10.182 -2.873 4.077 1.00 0.00 C ATOM 740 C TYR A 49 -9.382 -1.614 4.403 1.00 0.00 C ATOM 741 O TYR A 49 -8.738 -1.526 5.428 1.00 0.00 O ATOM 742 CB TYR A 49 -9.358 -3.813 3.203 1.00 0.00 C ATOM 743 CG TYR A 49 -10.079 -5.139 3.128 1.00 0.00 C ATOM 744 CD1 TYR A 49 -11.284 -5.235 2.421 1.00 0.00 C ATOM 745 CD2 TYR A 49 -9.565 -6.259 3.792 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.973 -6.450 2.374 1.00 0.00 C ATOM 747 CE2 TYR A 49 -10.258 -7.474 3.751 1.00 0.00 C ATOM 748 CZ TYR A 49 -11.464 -7.569 3.042 1.00 0.00 C ATOM 749 OH TYR A 49 -12.152 -8.764 3.009 1.00 0.00 O ATOM 0 H TYR A 49 -11.295 -2.336 2.348 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.436 -3.384 5.006 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.231 -3.392 2.206 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.361 -3.946 3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.681 -4.369 1.912 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.635 -6.185 4.335 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.898 -6.525 1.822 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.864 -8.338 4.265 1.00 0.00 H new ATOM 0 HH TYR A 49 -11.660 -9.439 3.522 1.00 0.00 H new ATOM 759 N LEU A 50 -9.427 -0.629 3.545 1.00 0.00 N ATOM 760 CA LEU A 50 -8.674 0.627 3.829 1.00 0.00 C ATOM 761 C LEU A 50 -9.650 1.716 4.274 1.00 0.00 C ATOM 762 O LEU A 50 -10.753 1.821 3.776 1.00 0.00 O ATOM 763 CB LEU A 50 -7.944 1.109 2.565 1.00 0.00 C ATOM 764 CG LEU A 50 -6.472 0.649 2.522 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.632 1.741 1.859 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.911 0.397 3.926 1.00 0.00 C ATOM 0 H LEU A 50 -9.948 -0.639 2.668 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.946 0.427 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.464 0.734 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.983 2.197 2.520 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.429 -0.284 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.589 1.426 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.994 1.913 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.713 2.663 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.872 0.075 3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.964 1.316 4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.497 -0.379 4.418 1.00 0.00 H new ATOM 778 N GLN A 51 -9.240 2.534 5.202 1.00 0.00 N ATOM 779 CA GLN A 51 -10.127 3.629 5.680 1.00 0.00 C ATOM 780 C GLN A 51 -9.319 4.925 5.746 1.00 0.00 C ATOM 781 O GLN A 51 -8.202 4.946 6.222 1.00 0.00 O ATOM 782 CB GLN A 51 -10.665 3.286 7.071 1.00 0.00 C ATOM 783 CG GLN A 51 -11.958 4.063 7.321 1.00 0.00 C ATOM 784 CD GLN A 51 -11.667 5.264 8.222 1.00 0.00 C ATOM 785 OE1 GLN A 51 -10.745 6.016 7.975 1.00 0.00 O ATOM 786 NE2 GLN A 51 -12.418 5.476 9.268 1.00 0.00 N ATOM 0 H GLN A 51 -8.325 2.491 5.651 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.966 3.751 4.995 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.851 2.215 7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -9.925 3.536 7.831 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.381 4.399 6.374 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.699 3.415 7.789 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.192 4.845 9.476 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.231 6.272 9.877 1.00 0.00 H new ATOM 795 N MET A 52 -9.867 6.005 5.265 1.00 0.00 N ATOM 796 CA MET A 52 -9.122 7.295 5.298 1.00 0.00 C ATOM 797 C MET A 52 -8.684 7.603 6.734 1.00 0.00 C ATOM 798 O MET A 52 -9.470 8.044 7.549 1.00 0.00 O ATOM 799 CB MET A 52 -10.029 8.419 4.793 1.00 0.00 C ATOM 800 CG MET A 52 -10.093 8.377 3.265 1.00 0.00 C ATOM 801 SD MET A 52 -10.491 10.025 2.632 1.00 0.00 S ATOM 802 CE MET A 52 -11.710 9.505 1.400 1.00 0.00 C ATOM 0 H MET A 52 -10.798 6.051 4.851 1.00 0.00 H new ATOM 0 HA MET A 52 -8.242 7.219 4.660 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.029 8.310 5.212 1.00 0.00 H new ATOM 0 HB3 MET A 52 -9.648 9.385 5.125 1.00 0.00 H new ATOM 0 HG2 MET A 52 -9.139 8.041 2.860 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.847 7.660 2.942 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.096 10.381 0.878 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.239 8.833 0.683 1.00 0.00 H new ATOM 0 HE3 MET A 52 -12.531 8.987 1.896 1.00 0.00 H new ATOM 812 N GLY A 53 -7.434 7.383 7.047 1.00 0.00 N ATOM 813 CA GLY A 53 -6.953 7.676 8.430 1.00 0.00 C ATOM 814 C GLY A 53 -6.261 6.444 9.021 1.00 0.00 C ATOM 815 O GLY A 53 -5.274 6.553 9.722 1.00 0.00 O ATOM 0 H GLY A 53 -6.728 7.015 6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.260 8.517 8.411 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.793 7.968 9.061 1.00 0.00 H new ATOM 819 N GLN A 54 -6.772 5.276 8.750 1.00 0.00 N ATOM 820 CA GLN A 54 -6.149 4.038 9.304 1.00 0.00 C ATOM 821 C GLN A 54 -4.698 3.922 8.828 1.00 0.00 C ATOM 822 O GLN A 54 -4.411 4.007 7.650 1.00 0.00 O ATOM 823 CB GLN A 54 -6.934 2.818 8.821 1.00 0.00 C ATOM 824 CG GLN A 54 -8.312 2.799 9.486 1.00 0.00 C ATOM 825 CD GLN A 54 -8.223 2.071 10.828 1.00 0.00 C ATOM 826 OE1 GLN A 54 -7.202 2.107 11.486 1.00 0.00 O ATOM 827 NE2 GLN A 54 -9.257 1.407 11.266 1.00 0.00 N ATOM 0 H GLN A 54 -7.596 5.123 8.168 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.167 4.086 10.393 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.042 2.848 7.737 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.390 1.904 9.061 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.669 3.818 9.636 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.033 2.301 8.838 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.114 1.376 10.714 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.208 0.919 12.160 1.00 0.00 H new ATOM 836 N GLU A 55 -3.783 3.715 9.737 1.00 0.00 N ATOM 837 CA GLU A 55 -2.351 3.578 9.342 1.00 0.00 C ATOM 838 C GLU A 55 -1.925 2.120 9.521 1.00 0.00 C ATOM 839 O GLU A 55 -2.179 1.513 10.542 1.00 0.00 O ATOM 840 CB GLU A 55 -1.485 4.473 10.230 1.00 0.00 C ATOM 841 CG GLU A 55 -2.085 5.879 10.288 1.00 0.00 C ATOM 842 CD GLU A 55 -1.322 6.713 11.319 1.00 0.00 C ATOM 843 OE1 GLU A 55 -0.505 6.145 12.022 1.00 0.00 O ATOM 844 OE2 GLU A 55 -1.569 7.906 11.386 1.00 0.00 O ATOM 0 H GLU A 55 -3.966 3.635 10.737 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.226 3.877 8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.421 4.053 11.234 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.469 4.517 9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.028 6.352 9.307 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.140 5.826 10.556 1.00 0.00 H new ATOM 851 N VAL A 56 -1.285 1.548 8.539 1.00 0.00 N ATOM 852 CA VAL A 56 -0.858 0.126 8.670 1.00 0.00 C ATOM 853 C VAL A 56 0.567 -0.050 8.132 1.00 0.00 C ATOM 854 O VAL A 56 1.008 0.698 7.277 1.00 0.00 O ATOM 855 CB VAL A 56 -1.814 -0.769 7.880 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.185 -0.780 8.562 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.958 -0.227 6.456 1.00 0.00 C ATOM 0 H VAL A 56 -1.040 1.999 7.658 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.878 -0.154 9.723 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.417 -1.784 7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.866 -1.418 7.999 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.083 -1.164 9.577 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.582 0.234 8.596 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.639 -0.864 5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.355 0.788 6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.983 -0.218 5.970 1.00 0.00 H new ATOM 867 N PRO A 57 1.240 -1.045 8.656 1.00 0.00 N ATOM 868 CA PRO A 57 2.620 -1.376 8.259 1.00 0.00 C ATOM 869 C PRO A 57 2.615 -2.163 6.946 1.00 0.00 C ATOM 870 O PRO A 57 1.643 -2.808 6.599 1.00 0.00 O ATOM 871 CB PRO A 57 3.125 -2.250 9.410 1.00 0.00 C ATOM 872 CG PRO A 57 1.867 -2.841 10.091 1.00 0.00 C ATOM 873 CD PRO A 57 0.685 -1.934 9.698 1.00 0.00 C ATOM 0 HA PRO A 57 3.243 -0.497 8.092 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.775 -3.043 9.040 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.710 -1.662 10.117 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.694 -3.866 9.763 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.990 -2.869 11.174 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.155 -2.516 9.319 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.318 -1.365 10.553 1.00 0.00 H new ATOM 881 N VAL A 58 3.693 -2.124 6.213 1.00 0.00 N ATOM 882 CA VAL A 58 3.738 -2.873 4.930 1.00 0.00 C ATOM 883 C VAL A 58 5.169 -3.351 4.668 1.00 0.00 C ATOM 884 O VAL A 58 6.053 -3.185 5.486 1.00 0.00 O ATOM 885 CB VAL A 58 3.263 -1.959 3.787 1.00 0.00 C ATOM 886 CG1 VAL A 58 2.213 -0.981 4.317 1.00 0.00 C ATOM 887 CG2 VAL A 58 4.446 -1.166 3.215 1.00 0.00 C ATOM 0 H VAL A 58 4.541 -1.607 6.447 1.00 0.00 H new ATOM 0 HA VAL A 58 3.081 -3.741 4.986 1.00 0.00 H new ATOM 0 HB VAL A 58 2.831 -2.577 3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.877 -0.334 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.364 -1.538 4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.649 -0.373 5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.096 -0.523 2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.887 -0.553 4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.195 -1.858 2.830 1.00 0.00 H new ATOM 897 N LYS A 59 5.400 -3.936 3.526 1.00 0.00 N ATOM 898 CA LYS A 59 6.769 -4.423 3.203 1.00 0.00 C ATOM 899 C LYS A 59 7.113 -4.051 1.758 1.00 0.00 C ATOM 900 O LYS A 59 6.446 -4.457 0.825 1.00 0.00 O ATOM 901 CB LYS A 59 6.815 -5.941 3.367 1.00 0.00 C ATOM 902 CG LYS A 59 7.159 -6.283 4.818 1.00 0.00 C ATOM 903 CD LYS A 59 6.334 -7.488 5.272 1.00 0.00 C ATOM 904 CE LYS A 59 7.235 -8.468 6.022 1.00 0.00 C ATOM 905 NZ LYS A 59 7.283 -8.093 7.464 1.00 0.00 N ATOM 0 H LYS A 59 4.699 -4.098 2.802 1.00 0.00 H new ATOM 0 HA LYS A 59 7.492 -3.962 3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.853 -6.377 3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.559 -6.369 2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.223 -6.504 4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.956 -5.427 5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.518 -7.162 5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.883 -7.979 4.410 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.857 -9.484 5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.239 -8.454 5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.896 -8.759 7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.663 -7.130 7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.324 -8.128 7.864 1.00 0.00 H new ATOM 919 N VAL A 60 8.152 -3.283 1.566 1.00 0.00 N ATOM 920 CA VAL A 60 8.546 -2.885 0.183 1.00 0.00 C ATOM 921 C VAL A 60 8.576 -4.124 -0.709 1.00 0.00 C ATOM 922 O VAL A 60 9.553 -4.845 -0.757 1.00 0.00 O ATOM 923 CB VAL A 60 9.931 -2.238 0.217 1.00 0.00 C ATOM 924 CG1 VAL A 60 10.323 -1.792 -1.192 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.899 -1.021 1.144 1.00 0.00 C ATOM 0 H VAL A 60 8.746 -2.913 2.308 1.00 0.00 H new ATOM 0 HA VAL A 60 7.825 -2.171 -0.215 1.00 0.00 H new ATOM 0 HB VAL A 60 10.660 -2.960 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.310 -1.331 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.344 -2.657 -1.855 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.595 -1.070 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.885 -0.558 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.169 -0.301 0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.620 -1.337 2.149 1.00 0.00 H new ATOM 1112 N LEU A 71 3.915 -1.460 -2.209 1.00 0.00 N ATOM 1113 CA LEU A 71 4.047 -1.837 -0.777 1.00 0.00 C ATOM 1114 C LEU A 71 3.143 -3.033 -0.476 1.00 0.00 C ATOM 1115 O LEU A 71 2.055 -3.152 -1.004 1.00 0.00 O ATOM 1116 CB LEU A 71 3.637 -0.651 0.095 1.00 0.00 C ATOM 1117 CG LEU A 71 4.749 0.399 0.074 1.00 0.00 C ATOM 1118 CD1 LEU A 71 4.417 1.517 1.063 1.00 0.00 C ATOM 1119 CD2 LEU A 71 6.073 -0.254 0.472 1.00 0.00 C ATOM 0 HA LEU A 71 5.081 -2.107 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.706 -0.219 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.453 -0.982 1.117 1.00 0.00 H new ATOM 0 HG LEU A 71 4.834 0.816 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.210 2.264 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.473 1.984 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.331 1.101 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.866 0.493 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.986 -0.671 1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.312 -1.051 -0.233 1.00 0.00 H new ATOM 1131 N SER A 72 3.589 -3.921 0.368 1.00 0.00 N ATOM 1132 CA SER A 72 2.765 -5.115 0.700 1.00 0.00 C ATOM 1133 C SER A 72 2.062 -4.901 2.045 1.00 0.00 C ATOM 1134 O SER A 72 2.693 -4.648 3.053 1.00 0.00 O ATOM 1135 CB SER A 72 3.669 -6.337 0.782 1.00 0.00 C ATOM 1136 OG SER A 72 3.382 -7.207 -0.305 1.00 0.00 O ATOM 0 H SER A 72 4.490 -3.871 0.843 1.00 0.00 H new ATOM 0 HA SER A 72 2.013 -5.267 -0.074 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.715 -6.032 0.753 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.514 -6.855 1.728 1.00 0.00 H new ATOM 0 HG SER A 72 3.964 -7.994 -0.256 1.00 0.00 H new ATOM 1142 N ILE A 73 0.758 -5.001 2.064 1.00 0.00 N ATOM 1143 CA ILE A 73 0.009 -4.805 3.339 1.00 0.00 C ATOM 1144 C ILE A 73 0.417 -5.897 4.338 1.00 0.00 C ATOM 1145 O ILE A 73 0.306 -7.075 4.062 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.510 -4.850 3.044 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -2.133 -3.506 3.424 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.210 -5.965 3.834 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -2.843 -2.910 2.208 1.00 0.00 C ATOM 0 H ILE A 73 0.180 -5.210 1.250 1.00 0.00 H new ATOM 0 HA ILE A 73 0.246 -3.836 3.778 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.641 -5.052 1.981 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.841 -3.640 4.242 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.361 -2.823 3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.274 -5.964 3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.780 -6.929 3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.073 -5.795 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.287 -1.952 2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.123 -2.761 1.403 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.626 -3.591 1.874 1.00 0.00 H new ATOM 1161 N LYS A 74 0.885 -5.514 5.496 1.00 0.00 N ATOM 1162 CA LYS A 74 1.293 -6.534 6.504 1.00 0.00 C ATOM 1163 C LYS A 74 0.054 -7.292 6.991 1.00 0.00 C ATOM 1164 O LYS A 74 -1.054 -7.015 6.577 1.00 0.00 O ATOM 1165 CB LYS A 74 1.969 -5.842 7.689 1.00 0.00 C ATOM 1166 CG LYS A 74 3.161 -6.679 8.153 1.00 0.00 C ATOM 1167 CD LYS A 74 4.308 -5.752 8.562 1.00 0.00 C ATOM 1168 CE LYS A 74 4.475 -5.789 10.082 1.00 0.00 C ATOM 1169 NZ LYS A 74 5.856 -6.238 10.421 1.00 0.00 N ATOM 0 H LYS A 74 1.002 -4.543 5.786 1.00 0.00 H new ATOM 0 HA LYS A 74 1.993 -7.235 6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.301 -4.845 7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.258 -5.718 8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.871 -7.309 8.994 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.485 -7.345 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.233 -6.063 8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.102 -4.734 8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.289 -4.801 10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.743 -6.466 10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.969 -6.263 11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.017 -7.189 10.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.546 -5.576 10.013 1.00 0.00 H new