USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 526 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 72 CYS SG : rot 180:sc= -0.145 USER MOD Set 1.2: A 73 SER OG : rot 36:sc= 0.027 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 142:sc= -2.57 (180deg=-6.06!) USER MOD Single : A 19 LYS NZ :NH3+ -113:sc= -2.04! (180deg=-6.17!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.53! C(o=-3.5!,f=-6.6!) USER MOD Single : A 29 MET CE :methyl -159:sc= -0.126 (180deg=-0.673) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 48:sc= -0.622 USER MOD Single : A 42 HIS : no HD1:sc= -2.38! K(o=-2.4!,f=0.24) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= -0.0054 (180deg=-0.0814) USER MOD Single : A 47 HIS : no HE2:sc= -1.27 K(o=-1.3,f=-4.9!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -106:sc= 1.61 USER MOD Single : A 63 SER OG : rot -128:sc= -0.102 USER MOD Single : A 67 HIS : no HD1:sc= -2.98 X(o=-3,f=-2.8) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -70:sc= 1.03 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc=-0.00624 X(o=-0.0062,f=-0.0062) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 14 14.866 0.762 -1.074 1.00 0.00 N ATOM 158 CA PHE A 14 13.654 -0.049 -1.089 1.00 0.00 C ATOM 159 C PHE A 14 13.967 -1.501 -0.743 1.00 0.00 C ATOM 160 O PHE A 14 15.019 -2.024 -1.111 1.00 0.00 O ATOM 161 CB PHE A 14 12.981 0.027 -2.461 1.00 0.00 C ATOM 162 CG PHE A 14 12.311 1.345 -2.728 1.00 0.00 C ATOM 163 CD1 PHE A 14 13.059 2.459 -3.072 1.00 0.00 C ATOM 164 CD2 PHE A 14 10.934 1.469 -2.635 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.446 3.673 -3.319 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.316 2.680 -2.881 1.00 0.00 C ATOM 167 CZ PHE A 14 11.073 3.784 -3.223 1.00 0.00 C ATOM 0 HA PHE A 14 12.973 0.347 -0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.728 -0.155 -3.234 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.241 -0.770 -2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.133 2.378 -3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.337 0.610 -2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.040 4.534 -3.587 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.242 2.764 -2.806 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.592 4.732 -3.415 1.00 0.00 H new ATOM 177 N GLN A 15 13.047 -2.146 -0.033 1.00 0.00 N ATOM 178 CA GLN A 15 13.225 -3.538 0.364 1.00 0.00 C ATOM 179 C GLN A 15 12.114 -4.413 -0.206 1.00 0.00 C ATOM 180 O GLN A 15 11.051 -3.919 -0.584 1.00 0.00 O ATOM 181 CB GLN A 15 13.252 -3.656 1.889 1.00 0.00 C ATOM 182 CG GLN A 15 14.350 -2.832 2.543 1.00 0.00 C ATOM 183 CD GLN A 15 14.373 -2.985 4.051 1.00 0.00 C ATOM 184 OE1 GLN A 15 13.646 -3.802 4.615 1.00 0.00 O ATOM 185 NE2 GLN A 15 15.212 -2.196 4.713 1.00 0.00 N ATOM 0 H GLN A 15 12.171 -1.727 0.279 1.00 0.00 H new ATOM 0 HA GLN A 15 14.177 -3.885 -0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.287 -3.341 2.287 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.383 -4.703 2.162 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.316 -3.132 2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.210 -1.781 2.290 1.00 0.00 H new ATOM 0 HE21 GLN A 15 15.797 -1.533 4.205 1.00 0.00 H new ATOM 0 HE22 GLN A 15 15.272 -2.254 5.730 1.00 0.00 H new ATOM 194 N LYS A 16 12.365 -5.716 -0.265 1.00 0.00 N ATOM 195 CA LYS A 16 11.387 -6.662 -0.788 1.00 0.00 C ATOM 196 C LYS A 16 10.438 -7.128 0.312 1.00 0.00 C ATOM 197 O LYS A 16 10.744 -7.013 1.500 1.00 0.00 O ATOM 198 CB LYS A 16 12.094 -7.868 -1.410 1.00 0.00 C ATOM 199 CG LYS A 16 12.530 -7.642 -2.848 1.00 0.00 C ATOM 200 CD LYS A 16 13.620 -8.617 -3.259 1.00 0.00 C ATOM 201 CE LYS A 16 14.953 -8.269 -2.614 1.00 0.00 C ATOM 202 NZ LYS A 16 16.089 -8.969 -3.274 1.00 0.00 N ATOM 0 H LYS A 16 13.239 -6.142 0.044 1.00 0.00 H new ATOM 0 HA LYS A 16 10.804 -6.154 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.969 -8.116 -0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.427 -8.729 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.672 -7.753 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.892 -6.620 -2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.330 -9.629 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.727 -8.609 -4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.111 -7.192 -2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.926 -8.537 -1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.979 -8.705 -2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.952 -9.997 -3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.131 -8.694 -4.276 1.00 0.00 H new ATOM 216 N LYS A 17 9.287 -7.655 -0.089 1.00 0.00 N ATOM 217 CA LYS A 17 8.294 -8.141 0.862 1.00 0.00 C ATOM 218 C LYS A 17 7.775 -7.003 1.736 1.00 0.00 C ATOM 219 O LYS A 17 7.393 -7.217 2.886 1.00 0.00 O ATOM 220 CB LYS A 17 8.895 -9.240 1.741 1.00 0.00 C ATOM 221 CG LYS A 17 9.547 -10.361 0.951 1.00 0.00 C ATOM 222 CD LYS A 17 9.786 -11.587 1.817 1.00 0.00 C ATOM 223 CE LYS A 17 8.488 -12.323 2.112 1.00 0.00 C ATOM 224 NZ LYS A 17 8.195 -13.364 1.089 1.00 0.00 N ATOM 0 H LYS A 17 9.018 -7.757 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 17 7.457 -8.553 0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.636 -8.797 2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.111 -9.659 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.912 -10.629 0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.495 -10.014 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.480 -12.260 1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.256 -11.286 2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.550 -12.788 3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.666 -11.608 2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.303 -13.842 1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.110 -12.917 0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.967 -14.061 1.071 1.00 0.00 H new ATOM 238 N MET A 18 7.763 -5.795 1.182 1.00 0.00 N ATOM 239 CA MET A 18 7.288 -4.625 1.911 1.00 0.00 C ATOM 240 C MET A 18 6.130 -3.959 1.175 1.00 0.00 C ATOM 241 O MET A 18 5.795 -4.338 0.052 1.00 0.00 O ATOM 242 CB MET A 18 8.427 -3.622 2.106 1.00 0.00 C ATOM 243 CG MET A 18 8.686 -2.751 0.888 1.00 0.00 C ATOM 244 SD MET A 18 9.930 -1.482 1.193 1.00 0.00 S ATOM 245 CE MET A 18 9.802 -0.515 -0.309 1.00 0.00 C ATOM 0 H MET A 18 8.077 -5.601 0.231 1.00 0.00 H new ATOM 0 HA MET A 18 6.933 -4.956 2.887 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.195 -2.982 2.957 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.339 -4.165 2.355 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.010 -3.380 0.059 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.754 -2.275 0.582 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.917 0.543 -0.072 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.585 -0.818 -1.005 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.826 -0.680 -0.766 1.00 0.00 H new ATOM 255 N LYS A 19 5.521 -2.966 1.814 1.00 0.00 N ATOM 256 CA LYS A 19 4.401 -2.246 1.220 1.00 0.00 C ATOM 257 C LYS A 19 4.796 -0.814 0.875 1.00 0.00 C ATOM 258 O LYS A 19 5.682 -0.235 1.504 1.00 0.00 O ATOM 259 CB LYS A 19 3.207 -2.241 2.177 1.00 0.00 C ATOM 260 CG LYS A 19 2.568 -3.607 2.361 1.00 0.00 C ATOM 261 CD LYS A 19 2.027 -4.150 1.049 1.00 0.00 C ATOM 262 CE LYS A 19 0.838 -5.071 1.275 1.00 0.00 C ATOM 263 NZ LYS A 19 -0.269 -4.382 1.993 1.00 0.00 N ATOM 0 H LYS A 19 5.785 -2.641 2.744 1.00 0.00 H new ATOM 0 HA LYS A 19 4.119 -2.758 0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.532 -1.868 3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.456 -1.545 1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.303 -4.302 2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.759 -3.536 3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.730 -3.322 0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.815 -4.693 0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.475 -5.438 0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.157 -5.941 1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.384 -4.802 2.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.045 -3.371 2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.153 -4.491 1.455 1.00 0.00 H new ATOM 277 N LEU A 20 4.132 -0.247 -0.127 1.00 0.00 N ATOM 278 CA LEU A 20 4.413 1.119 -0.554 1.00 0.00 C ATOM 279 C LEU A 20 3.314 1.637 -1.477 1.00 0.00 C ATOM 280 O LEU A 20 2.823 0.912 -2.341 1.00 0.00 O ATOM 281 CB LEU A 20 5.765 1.184 -1.266 1.00 0.00 C ATOM 282 CG LEU A 20 5.728 1.053 -2.790 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.595 2.421 -3.440 1.00 0.00 C ATOM 284 CD2 LEU A 20 6.975 0.340 -3.294 1.00 0.00 C ATOM 0 H LEU A 20 3.396 -0.712 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 20 4.446 1.752 0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.241 2.132 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.401 0.393 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 20 4.857 0.457 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.570 2.308 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.673 2.896 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.446 3.042 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.932 0.255 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.860 0.909 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.027 -0.656 -2.854 1.00 0.00 H new ATOM 296 N GLU A 21 2.935 2.897 -1.287 1.00 0.00 N ATOM 297 CA GLU A 21 1.895 3.512 -2.104 1.00 0.00 C ATOM 298 C GLU A 21 2.463 3.994 -3.436 1.00 0.00 C ATOM 299 O GLU A 21 3.354 4.843 -3.473 1.00 0.00 O ATOM 300 CB GLU A 21 1.255 4.684 -1.356 1.00 0.00 C ATOM 301 CG GLU A 21 0.306 4.255 -0.250 1.00 0.00 C ATOM 302 CD GLU A 21 -0.482 5.415 0.326 1.00 0.00 C ATOM 303 OE1 GLU A 21 -0.627 6.440 -0.373 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.954 5.298 1.476 1.00 0.00 O ATOM 0 H GLU A 21 3.332 3.511 -0.576 1.00 0.00 H new ATOM 0 HA GLU A 21 1.133 2.759 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.042 5.304 -0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.712 5.306 -2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.386 3.509 -0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.875 3.776 0.547 1.00 0.00 H new ATOM 311 N VAL A 22 1.941 3.445 -4.528 1.00 0.00 N ATOM 312 CA VAL A 22 2.394 3.818 -5.863 1.00 0.00 C ATOM 313 C VAL A 22 1.306 4.567 -6.624 1.00 0.00 C ATOM 314 O VAL A 22 0.158 4.127 -6.680 1.00 0.00 O ATOM 315 CB VAL A 22 2.817 2.582 -6.678 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.139 2.972 -8.112 1.00 0.00 C ATOM 317 CG2 VAL A 22 4.007 1.895 -6.024 1.00 0.00 C ATOM 0 H VAL A 22 1.204 2.740 -4.515 1.00 0.00 H new ATOM 0 HA VAL A 22 3.257 4.471 -5.733 1.00 0.00 H new ATOM 0 HB VAL A 22 1.985 1.878 -6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.436 2.085 -8.672 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.258 3.416 -8.575 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.955 3.695 -8.118 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.293 1.024 -6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.845 2.590 -5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.736 1.579 -5.017 1.00 0.00 H new ATOM 327 N VAL A 23 1.675 5.702 -7.209 1.00 0.00 N ATOM 328 CA VAL A 23 0.731 6.512 -7.969 1.00 0.00 C ATOM 329 C VAL A 23 0.387 5.852 -9.300 1.00 0.00 C ATOM 330 O VAL A 23 1.246 5.702 -10.170 1.00 0.00 O ATOM 331 CB VAL A 23 1.289 7.922 -8.237 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.316 8.731 -9.081 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.589 8.633 -6.926 1.00 0.00 C ATOM 0 H VAL A 23 2.621 6.081 -7.171 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.172 6.596 -7.364 1.00 0.00 H new ATOM 0 HB VAL A 23 2.221 7.825 -8.794 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.728 9.724 -9.260 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.156 8.228 -10.034 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.634 8.822 -8.555 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.983 9.628 -7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.673 8.720 -6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.326 8.061 -6.363 1.00 0.00 H new ATOM 343 N ASP A 24 -0.873 5.461 -9.453 1.00 0.00 N ATOM 344 CA ASP A 24 -1.331 4.819 -10.679 1.00 0.00 C ATOM 345 C ASP A 24 -0.936 5.639 -11.903 1.00 0.00 C ATOM 346 O ASP A 24 -1.450 6.737 -12.120 1.00 0.00 O ATOM 347 CB ASP A 24 -2.848 4.629 -10.645 1.00 0.00 C ATOM 348 CG ASP A 24 -3.298 3.411 -11.427 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.508 2.450 -11.534 1.00 0.00 O ATOM 350 OD2 ASP A 24 -4.440 3.419 -11.932 1.00 0.00 O ATOM 0 H ASP A 24 -1.596 5.578 -8.743 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.852 3.842 -10.749 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.176 4.534 -9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.331 5.517 -11.052 1.00 0.00 H new ATOM 355 N LYS A 25 -0.020 5.100 -12.700 1.00 0.00 N ATOM 356 CA LYS A 25 0.445 5.781 -13.902 1.00 0.00 C ATOM 357 C LYS A 25 -0.732 6.282 -14.734 1.00 0.00 C ATOM 358 O LYS A 25 -0.855 7.479 -14.994 1.00 0.00 O ATOM 359 CB LYS A 25 1.313 4.841 -14.742 1.00 0.00 C ATOM 360 CG LYS A 25 2.445 4.198 -13.960 1.00 0.00 C ATOM 361 CD LYS A 25 3.469 5.228 -13.511 1.00 0.00 C ATOM 362 CE LYS A 25 4.536 5.451 -14.571 1.00 0.00 C ATOM 363 NZ LYS A 25 5.205 6.772 -14.414 1.00 0.00 N ATOM 0 H LYS A 25 0.415 4.193 -12.535 1.00 0.00 H new ATOM 0 HA LYS A 25 1.042 6.640 -13.595 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.683 4.058 -15.163 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.732 5.398 -15.580 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.040 3.683 -13.089 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.933 3.444 -14.578 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.967 6.171 -13.294 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.938 4.896 -12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.280 4.657 -14.510 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.084 5.388 -15.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.926 6.886 -15.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.499 7.531 -14.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.658 6.823 -13.479 1.00 0.00 H new ATOM 377 N ARG A 26 -1.594 5.358 -15.146 1.00 0.00 N ATOM 378 CA ARG A 26 -2.761 5.707 -15.947 1.00 0.00 C ATOM 379 C ARG A 26 -3.558 6.829 -15.289 1.00 0.00 C ATOM 380 O ARG A 26 -4.124 7.684 -15.969 1.00 0.00 O ATOM 381 CB ARG A 26 -3.655 4.481 -16.145 1.00 0.00 C ATOM 382 CG ARG A 26 -4.084 3.824 -14.843 1.00 0.00 C ATOM 383 CD ARG A 26 -3.107 2.740 -14.417 1.00 0.00 C ATOM 384 NE ARG A 26 -3.767 1.668 -13.676 1.00 0.00 N ATOM 385 CZ ARG A 26 -3.144 0.571 -13.261 1.00 0.00 C ATOM 386 NH1 ARG A 26 -1.854 0.401 -13.513 1.00 0.00 N ATOM 387 NH2 ARG A 26 -3.813 -0.360 -12.592 1.00 0.00 N ATOM 0 H ARG A 26 -1.506 4.363 -14.939 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.411 6.055 -16.919 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.543 4.776 -16.703 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.124 3.749 -16.754 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.156 4.579 -14.060 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.078 3.393 -14.962 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.620 2.324 -15.299 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.325 3.180 -13.798 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.760 1.767 -13.466 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.337 1.114 -14.027 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.379 -0.443 -13.193 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.806 -0.233 -12.396 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.334 -1.202 -12.273 1.00 0.00 H new ATOM 401 N ASN A 27 -3.596 6.820 -13.960 1.00 0.00 N ATOM 402 CA ASN A 27 -4.324 7.837 -13.209 1.00 0.00 C ATOM 403 C ASN A 27 -3.490 8.351 -12.040 1.00 0.00 C ATOM 404 O ASN A 27 -3.376 7.709 -10.996 1.00 0.00 O ATOM 405 CB ASN A 27 -5.649 7.269 -12.694 1.00 0.00 C ATOM 406 CG ASN A 27 -6.385 6.469 -13.751 1.00 0.00 C ATOM 407 OD1 ASN A 27 -6.072 6.553 -14.939 1.00 0.00 O ATOM 408 ND2 ASN A 27 -7.370 5.688 -13.323 1.00 0.00 N ATOM 0 H ASN A 27 -3.131 6.120 -13.381 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.530 8.671 -13.880 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.457 6.634 -11.829 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.284 8.087 -12.354 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.902 5.127 -13.988 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.595 5.649 -12.329 1.00 0.00 H new ATOM 415 N PRO A 28 -2.891 9.538 -12.218 1.00 0.00 N ATOM 416 CA PRO A 28 -2.057 10.167 -11.189 1.00 0.00 C ATOM 417 C PRO A 28 -2.875 10.647 -9.995 1.00 0.00 C ATOM 418 O PRO A 28 -2.324 11.150 -9.016 1.00 0.00 O ATOM 419 CB PRO A 28 -1.428 11.355 -11.920 1.00 0.00 C ATOM 420 CG PRO A 28 -2.381 11.672 -13.020 1.00 0.00 C ATOM 421 CD PRO A 28 -2.983 10.359 -13.438 1.00 0.00 C ATOM 0 HA PRO A 28 -1.328 9.472 -10.773 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.297 12.206 -11.252 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.442 11.102 -12.311 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.152 12.364 -12.681 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.868 12.150 -13.855 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.016 10.477 -13.766 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.434 9.911 -14.266 1.00 0.00 H new ATOM 429 N MET A 29 -4.191 10.489 -10.082 1.00 0.00 N ATOM 430 CA MET A 29 -5.084 10.905 -9.007 1.00 0.00 C ATOM 431 C MET A 29 -5.593 9.699 -8.225 1.00 0.00 C ATOM 432 O MET A 29 -6.556 9.801 -7.464 1.00 0.00 O ATOM 433 CB MET A 29 -6.265 11.696 -9.573 1.00 0.00 C ATOM 434 CG MET A 29 -5.868 13.035 -10.174 1.00 0.00 C ATOM 435 SD MET A 29 -7.266 13.913 -10.898 1.00 0.00 S ATOM 436 CE MET A 29 -7.703 12.808 -12.238 1.00 0.00 C ATOM 0 H MET A 29 -4.663 10.076 -10.886 1.00 0.00 H new ATOM 0 HA MET A 29 -4.520 11.544 -8.328 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.760 11.097 -10.337 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.992 11.865 -8.779 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.415 13.656 -9.401 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.109 12.874 -10.940 1.00 0.00 H new ATOM 0 HE1 MET A 29 -8.275 13.354 -12.988 1.00 0.00 H new ATOM 0 HE2 MET A 29 -6.796 12.410 -12.692 1.00 0.00 H new ATOM 0 HE3 MET A 29 -8.305 11.986 -11.850 1.00 0.00 H new ATOM 446 N PHE A 30 -4.941 8.557 -8.416 1.00 0.00 N ATOM 447 CA PHE A 30 -5.329 7.331 -7.729 1.00 0.00 C ATOM 448 C PHE A 30 -4.102 6.586 -7.211 1.00 0.00 C ATOM 449 O PHE A 30 -3.223 6.204 -7.984 1.00 0.00 O ATOM 450 CB PHE A 30 -6.129 6.426 -8.669 1.00 0.00 C ATOM 451 CG PHE A 30 -7.530 6.909 -8.917 1.00 0.00 C ATOM 452 CD1 PHE A 30 -7.787 7.849 -9.902 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.588 6.424 -8.166 1.00 0.00 C ATOM 454 CE1 PHE A 30 -9.075 8.296 -10.132 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.877 6.867 -8.392 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.121 7.803 -9.377 1.00 0.00 C ATOM 0 H PHE A 30 -4.141 8.455 -9.041 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.954 7.603 -6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.605 6.351 -9.622 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.169 5.422 -8.247 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.973 8.237 -10.496 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.403 5.691 -7.395 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.263 9.030 -10.901 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.693 6.481 -7.799 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.128 8.149 -9.557 1.00 0.00 H new ATOM 466 N ILE A 31 -4.050 6.385 -5.899 1.00 0.00 N ATOM 467 CA ILE A 31 -2.932 5.686 -5.277 1.00 0.00 C ATOM 468 C ILE A 31 -3.404 4.433 -4.548 1.00 0.00 C ATOM 469 O ILE A 31 -4.436 4.445 -3.877 1.00 0.00 O ATOM 470 CB ILE A 31 -2.183 6.594 -4.284 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.648 7.836 -4.998 1.00 0.00 C ATOM 472 CG2 ILE A 31 -1.048 5.828 -3.619 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.330 8.981 -4.062 1.00 0.00 C ATOM 0 H ILE A 31 -4.769 6.696 -5.246 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.252 5.401 -6.080 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.881 6.916 -3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.747 7.568 -5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.383 8.169 -5.730 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.528 6.483 -2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.454 4.971 -3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.349 5.481 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.955 9.828 -4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.233 9.276 -3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.572 8.665 -3.345 1.00 0.00 H new ATOM 485 N ARG A 32 -2.640 3.353 -4.683 1.00 0.00 N ATOM 486 CA ARG A 32 -2.980 2.092 -4.036 1.00 0.00 C ATOM 487 C ARG A 32 -1.749 1.464 -3.388 1.00 0.00 C ATOM 488 O ARG A 32 -0.648 2.012 -3.461 1.00 0.00 O ATOM 489 CB ARG A 32 -3.586 1.121 -5.051 1.00 0.00 C ATOM 490 CG ARG A 32 -4.858 1.637 -5.703 1.00 0.00 C ATOM 491 CD ARG A 32 -5.313 0.727 -6.833 1.00 0.00 C ATOM 492 NE ARG A 32 -6.609 1.131 -7.372 1.00 0.00 N ATOM 493 CZ ARG A 32 -6.766 2.109 -8.256 1.00 0.00 C ATOM 494 NH1 ARG A 32 -5.712 2.781 -8.700 1.00 0.00 N ATOM 495 NH2 ARG A 32 -7.978 2.417 -8.700 1.00 0.00 N ATOM 0 H ARG A 32 -1.782 3.327 -5.234 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.714 2.298 -3.257 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.849 0.913 -5.827 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.801 0.175 -4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.647 1.712 -4.955 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.688 2.642 -6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.569 0.739 -7.630 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.375 -0.299 -6.470 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.440 0.634 -7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.778 2.547 -8.362 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.835 3.532 -9.379 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.791 1.902 -8.362 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.097 3.169 -9.379 1.00 0.00 H new ATOM 509 N VAL A 33 -1.943 0.313 -2.753 1.00 0.00 N ATOM 510 CA VAL A 33 -0.849 -0.390 -2.093 1.00 0.00 C ATOM 511 C VAL A 33 -0.047 -1.219 -3.089 1.00 0.00 C ATOM 512 O VAL A 33 -0.590 -1.720 -4.074 1.00 0.00 O ATOM 513 CB VAL A 33 -1.368 -1.312 -0.974 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.217 -2.067 -0.327 1.00 0.00 C ATOM 515 CG2 VAL A 33 -2.141 -0.510 0.062 1.00 0.00 C ATOM 0 H VAL A 33 -2.848 -0.153 -2.681 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.203 0.371 -1.656 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.047 -2.042 -1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.603 -2.713 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.288 -2.674 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.490 -1.356 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.500 -1.178 0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.487 0.244 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.990 -0.021 -0.416 1.00 0.00 H new ATOM 525 N ALA A 34 1.248 -1.360 -2.827 1.00 0.00 N ATOM 526 CA ALA A 34 2.125 -2.132 -3.700 1.00 0.00 C ATOM 527 C ALA A 34 3.101 -2.977 -2.889 1.00 0.00 C ATOM 528 O ALA A 34 3.552 -2.569 -1.818 1.00 0.00 O ATOM 529 CB ALA A 34 2.881 -1.205 -4.640 1.00 0.00 C ATOM 0 H ALA A 34 1.714 -0.950 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 34 1.506 -2.807 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.532 -1.794 -5.286 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.171 -0.648 -5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.483 -0.508 -4.057 1.00 0.00 H new ATOM 535 N THR A 35 3.423 -4.159 -3.405 1.00 0.00 N ATOM 536 CA THR A 35 4.344 -5.063 -2.728 1.00 0.00 C ATOM 537 C THR A 35 5.611 -5.273 -3.549 1.00 0.00 C ATOM 538 O THR A 35 5.583 -5.911 -4.601 1.00 0.00 O ATOM 539 CB THR A 35 3.690 -6.431 -2.455 1.00 0.00 C ATOM 540 OG1 THR A 35 2.587 -6.276 -1.555 1.00 0.00 O ATOM 541 CG2 THR A 35 4.699 -7.405 -1.866 1.00 0.00 C ATOM 0 H THR A 35 3.059 -4.513 -4.290 1.00 0.00 H new ATOM 0 HA THR A 35 4.603 -4.597 -1.778 1.00 0.00 H new ATOM 0 HB THR A 35 3.331 -6.833 -3.402 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.176 -7.150 -1.388 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.214 -8.364 -1.682 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.523 -7.543 -2.566 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.084 -7.007 -0.927 1.00 0.00 H new ATOM 549 N VAL A 36 6.724 -4.734 -3.060 1.00 0.00 N ATOM 550 CA VAL A 36 8.002 -4.864 -3.748 1.00 0.00 C ATOM 551 C VAL A 36 8.411 -6.327 -3.877 1.00 0.00 C ATOM 552 O VAL A 36 8.869 -6.941 -2.914 1.00 0.00 O ATOM 553 CB VAL A 36 9.116 -4.094 -3.013 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.389 -4.072 -3.845 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.659 -2.681 -2.684 1.00 0.00 C ATOM 0 H VAL A 36 6.766 -4.203 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 36 7.871 -4.438 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 36 9.332 -4.608 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.164 -3.524 -3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.725 -5.094 -4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.192 -3.583 -4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.458 -2.152 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.414 -2.154 -3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.777 -2.723 -2.045 1.00 0.00 H new ATOM 565 N ALA A 37 8.242 -6.879 -5.074 1.00 0.00 N ATOM 566 CA ALA A 37 8.595 -8.269 -5.331 1.00 0.00 C ATOM 567 C ALA A 37 10.094 -8.421 -5.567 1.00 0.00 C ATOM 568 O ALA A 37 10.759 -9.220 -4.907 1.00 0.00 O ATOM 569 CB ALA A 37 7.815 -8.801 -6.524 1.00 0.00 C ATOM 0 H ALA A 37 7.863 -6.384 -5.881 1.00 0.00 H new ATOM 0 HA ALA A 37 8.331 -8.853 -4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.089 -9.840 -6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.747 -8.738 -6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.049 -8.206 -7.407 1.00 0.00 H new ATOM 575 N ASP A 38 10.620 -7.648 -6.511 1.00 0.00 N ATOM 576 CA ASP A 38 12.042 -7.696 -6.834 1.00 0.00 C ATOM 577 C ASP A 38 12.630 -6.291 -6.908 1.00 0.00 C ATOM 578 O ASP A 38 12.055 -5.397 -7.531 1.00 0.00 O ATOM 579 CB ASP A 38 12.261 -8.425 -8.161 1.00 0.00 C ATOM 580 CG ASP A 38 13.687 -8.911 -8.326 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.534 -8.120 -8.792 1.00 0.00 O ATOM 582 OD2 ASP A 38 13.958 -10.082 -7.987 1.00 0.00 O ATOM 0 H ASP A 38 10.084 -6.981 -7.066 1.00 0.00 H new ATOM 0 HA ASP A 38 12.552 -8.242 -6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.581 -9.275 -8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.010 -7.757 -8.985 1.00 0.00 H new ATOM 587 N THR A 39 13.779 -6.100 -6.267 1.00 0.00 N ATOM 588 CA THR A 39 14.443 -4.804 -6.258 1.00 0.00 C ATOM 589 C THR A 39 15.651 -4.798 -7.188 1.00 0.00 C ATOM 590 O THR A 39 16.667 -5.433 -6.905 1.00 0.00 O ATOM 591 CB THR A 39 14.901 -4.417 -4.839 1.00 0.00 C ATOM 592 OG1 THR A 39 15.506 -5.544 -4.195 1.00 0.00 O ATOM 593 CG2 THR A 39 13.728 -3.920 -4.008 1.00 0.00 C ATOM 0 H THR A 39 14.269 -6.828 -5.747 1.00 0.00 H new ATOM 0 HA THR A 39 13.714 -4.074 -6.609 1.00 0.00 H new ATOM 0 HB THR A 39 15.632 -3.613 -4.924 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.157 -5.956 -4.801 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.076 -3.653 -3.010 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.289 -3.044 -4.486 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.977 -4.706 -3.932 1.00 0.00 H new ATOM 601 N ASP A 40 15.533 -4.079 -8.299 1.00 0.00 N ATOM 602 CA ASP A 40 16.617 -3.989 -9.271 1.00 0.00 C ATOM 603 C ASP A 40 17.741 -3.099 -8.751 1.00 0.00 C ATOM 604 O ASP A 40 17.708 -2.644 -7.607 1.00 0.00 O ATOM 605 CB ASP A 40 16.093 -3.447 -10.601 1.00 0.00 C ATOM 606 CG ASP A 40 16.939 -3.889 -11.780 1.00 0.00 C ATOM 607 OD1 ASP A 40 16.783 -5.047 -12.220 1.00 0.00 O ATOM 608 OD2 ASP A 40 17.755 -3.076 -12.261 1.00 0.00 O ATOM 0 H ASP A 40 14.698 -3.550 -8.549 1.00 0.00 H new ATOM 0 HA ASP A 40 17.016 -4.991 -9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.067 -3.783 -10.748 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.070 -2.358 -10.562 1.00 0.00 H new ATOM 613 N ASP A 41 18.735 -2.855 -9.597 1.00 0.00 N ATOM 614 CA ASP A 41 19.870 -2.019 -9.224 1.00 0.00 C ATOM 615 C ASP A 41 19.440 -0.567 -9.045 1.00 0.00 C ATOM 616 O ASP A 41 19.815 0.087 -8.071 1.00 0.00 O ATOM 617 CB ASP A 41 20.969 -2.111 -10.284 1.00 0.00 C ATOM 618 CG ASP A 41 21.907 -3.279 -10.046 1.00 0.00 C ATOM 619 OD1 ASP A 41 21.578 -4.402 -10.483 1.00 0.00 O ATOM 620 OD2 ASP A 41 22.969 -3.070 -9.424 1.00 0.00 O ATOM 0 H ASP A 41 18.778 -3.225 -10.547 1.00 0.00 H new ATOM 0 HA ASP A 41 20.261 -2.383 -8.274 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.512 -2.210 -11.269 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.542 -1.184 -10.290 1.00 0.00 H new ATOM 625 N HIS A 42 18.650 -0.068 -9.990 1.00 0.00 N ATOM 626 CA HIS A 42 18.169 1.308 -9.937 1.00 0.00 C ATOM 627 C HIS A 42 16.646 1.354 -10.019 1.00 0.00 C ATOM 628 O HIS A 42 16.053 2.426 -10.143 1.00 0.00 O ATOM 629 CB HIS A 42 18.777 2.128 -11.075 1.00 0.00 C ATOM 630 CG HIS A 42 19.087 1.319 -12.297 1.00 0.00 C ATOM 631 ND1 HIS A 42 20.153 1.590 -13.128 1.00 0.00 N ATOM 632 CD2 HIS A 42 18.465 0.240 -12.825 1.00 0.00 C ATOM 633 CE1 HIS A 42 20.173 0.714 -14.116 1.00 0.00 C ATOM 634 NE2 HIS A 42 19.159 -0.117 -13.956 1.00 0.00 N ATOM 0 H HIS A 42 18.329 -0.596 -10.802 1.00 0.00 H new ATOM 0 HA HIS A 42 18.478 1.738 -8.984 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.087 2.928 -11.344 1.00 0.00 H new ATOM 0 HB3 HIS A 42 19.693 2.602 -10.721 1.00 0.00 H new ATOM 0 HD2 HIS A 42 17.587 -0.250 -12.431 1.00 0.00 H new ATOM 0 HE1 HIS A 42 20.895 0.682 -14.918 1.00 0.00 H new ATOM 0 HE2 HIS A 42 18.929 -0.897 -14.572 1.00 0.00 H new ATOM 643 N ARG A 43 16.018 0.184 -9.949 1.00 0.00 N ATOM 644 CA ARG A 43 14.565 0.092 -10.017 1.00 0.00 C ATOM 645 C ARG A 43 14.043 -0.976 -9.060 1.00 0.00 C ATOM 646 O ARG A 43 14.816 -1.751 -8.497 1.00 0.00 O ATOM 647 CB ARG A 43 14.120 -0.227 -11.446 1.00 0.00 C ATOM 648 CG ARG A 43 14.735 0.686 -12.494 1.00 0.00 C ATOM 649 CD ARG A 43 13.840 0.813 -13.717 1.00 0.00 C ATOM 650 NE ARG A 43 14.605 1.107 -14.926 1.00 0.00 N ATOM 651 CZ ARG A 43 15.356 0.211 -15.556 1.00 0.00 C ATOM 652 NH1 ARG A 43 15.443 -1.029 -15.095 1.00 0.00 N ATOM 653 NH2 ARG A 43 16.022 0.555 -16.651 1.00 0.00 N ATOM 0 H ARG A 43 16.493 -0.713 -9.845 1.00 0.00 H new ATOM 0 HA ARG A 43 14.150 1.055 -9.721 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.382 -1.259 -11.677 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.034 -0.153 -11.504 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.906 1.672 -12.063 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.708 0.295 -12.793 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.283 -0.114 -13.857 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.108 1.603 -13.550 1.00 0.00 H new ATOM 0 HE ARG A 43 14.560 2.052 -15.307 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.932 -1.297 -14.254 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.021 -1.715 -15.581 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.957 1.508 -17.009 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.599 -0.133 -17.135 1.00 0.00 H new ATOM 667 N VAL A 44 12.726 -1.010 -8.881 1.00 0.00 N ATOM 668 CA VAL A 44 12.100 -1.982 -7.993 1.00 0.00 C ATOM 669 C VAL A 44 10.705 -2.354 -8.482 1.00 0.00 C ATOM 670 O VAL A 44 9.822 -1.502 -8.582 1.00 0.00 O ATOM 671 CB VAL A 44 12.002 -1.445 -6.553 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.389 -1.249 -5.960 1.00 0.00 C ATOM 673 CG2 VAL A 44 11.211 -0.146 -6.522 1.00 0.00 C ATOM 0 H VAL A 44 12.072 -0.375 -9.339 1.00 0.00 H new ATOM 0 HA VAL A 44 12.732 -2.870 -7.999 1.00 0.00 H new ATOM 0 HB VAL A 44 11.474 -2.180 -5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.299 -0.869 -4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.917 -2.203 -5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.946 -0.535 -6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.152 0.219 -5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.709 0.598 -7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.205 -0.323 -6.903 1.00 0.00 H new ATOM 683 N LYS A 45 10.512 -3.634 -8.785 1.00 0.00 N ATOM 684 CA LYS A 45 9.223 -4.121 -9.261 1.00 0.00 C ATOM 685 C LYS A 45 8.139 -3.914 -8.208 1.00 0.00 C ATOM 686 O LYS A 45 8.252 -4.400 -7.083 1.00 0.00 O ATOM 687 CB LYS A 45 9.319 -5.605 -9.625 1.00 0.00 C ATOM 688 CG LYS A 45 8.182 -6.089 -10.508 1.00 0.00 C ATOM 689 CD LYS A 45 8.571 -7.335 -11.285 1.00 0.00 C ATOM 690 CE LYS A 45 7.844 -7.411 -12.618 1.00 0.00 C ATOM 691 NZ LYS A 45 6.408 -7.769 -12.448 1.00 0.00 N ATOM 0 H LYS A 45 11.232 -4.352 -8.709 1.00 0.00 H new ATOM 0 HA LYS A 45 8.953 -3.551 -10.150 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.266 -5.785 -10.135 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.333 -6.195 -8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.307 -6.301 -9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.899 -5.299 -11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.647 -7.337 -11.456 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.341 -8.221 -10.693 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.921 -6.451 -13.129 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.330 -8.151 -13.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.907 -7.630 -13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.330 -8.765 -12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.983 -7.162 -11.718 1.00 0.00 H new ATOM 705 N VAL A 46 7.089 -3.190 -8.581 1.00 0.00 N ATOM 706 CA VAL A 46 5.983 -2.921 -7.670 1.00 0.00 C ATOM 707 C VAL A 46 4.713 -3.633 -8.120 1.00 0.00 C ATOM 708 O VAL A 46 4.155 -3.324 -9.174 1.00 0.00 O ATOM 709 CB VAL A 46 5.701 -1.410 -7.561 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.851 -0.701 -6.863 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.453 -0.815 -8.938 1.00 0.00 C ATOM 0 H VAL A 46 6.981 -2.779 -9.508 1.00 0.00 H new ATOM 0 HA VAL A 46 6.280 -3.300 -6.692 1.00 0.00 H new ATOM 0 HB VAL A 46 4.802 -1.268 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.634 0.365 -6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.976 -1.110 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.769 -0.849 -7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.255 0.253 -8.843 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.332 -0.967 -9.564 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.593 -1.304 -9.396 1.00 0.00 H new ATOM 721 N HIS A 47 4.260 -4.589 -7.315 1.00 0.00 N ATOM 722 CA HIS A 47 3.053 -5.345 -7.631 1.00 0.00 C ATOM 723 C HIS A 47 1.851 -4.792 -6.872 1.00 0.00 C ATOM 724 O HIS A 47 1.959 -4.419 -5.704 1.00 0.00 O ATOM 725 CB HIS A 47 3.249 -6.823 -7.291 1.00 0.00 C ATOM 726 CG HIS A 47 1.969 -7.596 -7.220 1.00 0.00 C ATOM 727 ND1 HIS A 47 1.494 -8.363 -8.263 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.063 -7.720 -6.222 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.350 -8.923 -7.911 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.067 -8.549 -6.676 1.00 0.00 N ATOM 0 H HIS A 47 4.710 -4.858 -6.440 1.00 0.00 H new ATOM 0 HA HIS A 47 2.862 -5.247 -8.700 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.897 -7.277 -8.041 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.765 -6.902 -6.334 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.954 -8.480 -9.166 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.114 -7.254 -5.249 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.251 -9.575 -8.528 1.00 0.00 H new ATOM 739 N PHE A 48 0.705 -4.741 -7.545 1.00 0.00 N ATOM 740 CA PHE A 48 -0.517 -4.231 -6.934 1.00 0.00 C ATOM 741 C PHE A 48 -1.360 -5.371 -6.371 1.00 0.00 C ATOM 742 O PHE A 48 -2.139 -5.996 -7.092 1.00 0.00 O ATOM 743 CB PHE A 48 -1.331 -3.437 -7.959 1.00 0.00 C ATOM 744 CG PHE A 48 -0.824 -2.040 -8.175 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.513 -1.810 -8.457 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.684 -0.957 -8.095 1.00 0.00 C ATOM 747 CE1 PHE A 48 0.983 -0.525 -8.656 1.00 0.00 C ATOM 748 CE2 PHE A 48 -1.220 0.330 -8.294 1.00 0.00 C ATOM 749 CZ PHE A 48 0.115 0.546 -8.574 1.00 0.00 C ATOM 0 H PHE A 48 0.598 -5.046 -8.512 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.236 -3.571 -6.113 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.321 -3.970 -8.910 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.369 -3.391 -7.630 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.196 -2.644 -8.522 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.729 -1.120 -7.875 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.027 -0.359 -8.875 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.901 1.166 -8.231 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.480 1.551 -8.729 1.00 0.00 H new ATOM 759 N ASP A 49 -1.198 -5.637 -5.080 1.00 0.00 N ATOM 760 CA ASP A 49 -1.944 -6.701 -4.419 1.00 0.00 C ATOM 761 C ASP A 49 -3.364 -6.793 -4.969 1.00 0.00 C ATOM 762 O ASP A 49 -4.033 -5.778 -5.160 1.00 0.00 O ATOM 763 CB ASP A 49 -1.984 -6.463 -2.908 1.00 0.00 C ATOM 764 CG ASP A 49 -2.323 -7.720 -2.133 1.00 0.00 C ATOM 765 OD1 ASP A 49 -3.272 -8.426 -2.533 1.00 0.00 O ATOM 766 OD2 ASP A 49 -1.639 -7.999 -1.125 1.00 0.00 O ATOM 0 H ASP A 49 -0.556 -5.130 -4.470 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.435 -7.644 -4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.017 -6.085 -2.577 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.721 -5.692 -2.684 1.00 0.00 H new ATOM 771 N GLY A 50 -3.817 -8.017 -5.223 1.00 0.00 N ATOM 772 CA GLY A 50 -5.154 -8.218 -5.751 1.00 0.00 C ATOM 773 C GLY A 50 -5.198 -8.139 -7.264 1.00 0.00 C ATOM 774 O GLY A 50 -5.858 -8.949 -7.915 1.00 0.00 O ATOM 0 H GLY A 50 -3.282 -8.873 -5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.525 -9.191 -5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.824 -7.467 -5.331 1.00 0.00 H new ATOM 778 N TRP A 51 -4.496 -7.160 -7.824 1.00 0.00 N ATOM 779 CA TRP A 51 -4.460 -6.977 -9.271 1.00 0.00 C ATOM 780 C TRP A 51 -3.723 -8.128 -9.946 1.00 0.00 C ATOM 781 O TRP A 51 -2.696 -8.593 -9.454 1.00 0.00 O ATOM 782 CB TRP A 51 -3.787 -5.649 -9.621 1.00 0.00 C ATOM 783 CG TRP A 51 -4.530 -4.453 -9.105 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.602 -4.029 -7.809 1.00 0.00 C ATOM 785 CD2 TRP A 51 -5.307 -3.530 -9.876 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.377 -2.897 -7.727 1.00 0.00 N ATOM 787 CE2 TRP A 51 -5.820 -2.570 -8.981 1.00 0.00 C ATOM 788 CE3 TRP A 51 -5.617 -3.419 -11.233 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -6.627 -1.516 -9.403 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -6.418 -2.372 -11.650 1.00 0.00 C ATOM 791 CH2 TRP A 51 -6.915 -1.432 -10.738 1.00 0.00 C ATOM 0 H TRP A 51 -3.945 -6.481 -7.299 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.487 -6.963 -9.637 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.776 -5.644 -9.214 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.694 -5.571 -10.704 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.121 -4.512 -6.972 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -5.588 -2.384 -6.871 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.238 -4.138 -11.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.012 -0.791 -8.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -6.665 -2.277 -12.697 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.538 -0.625 -11.096 1.00 0.00 H new ATOM 841 N TYR A 55 -0.496 -6.339 -14.269 1.00 0.00 N ATOM 842 CA TYR A 55 -0.513 -4.898 -14.048 1.00 0.00 C ATOM 843 C TYR A 55 0.849 -4.404 -13.570 1.00 0.00 C ATOM 844 O TYR A 55 1.319 -3.344 -13.985 1.00 0.00 O ATOM 845 CB TYR A 55 -1.589 -4.530 -13.026 1.00 0.00 C ATOM 846 CG TYR A 55 -2.948 -4.283 -13.640 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.249 -3.067 -14.243 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.933 -5.263 -13.616 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.489 -2.836 -14.805 1.00 0.00 C ATOM 850 CE2 TYR A 55 -5.176 -5.041 -14.176 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.449 -3.826 -14.770 1.00 0.00 C ATOM 852 OH TYR A 55 -6.687 -3.601 -15.328 1.00 0.00 O ATOM 0 HA TYR A 55 -0.742 -4.413 -14.997 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.671 -5.332 -12.293 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.275 -3.636 -12.487 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.500 -2.290 -14.272 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.723 -6.215 -13.151 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.706 -1.885 -15.269 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.930 -5.814 -14.149 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.245 -4.399 -15.219 1.00 0.00 H new ATOM 862 N ASP A 56 1.478 -5.180 -12.694 1.00 0.00 N ATOM 863 CA ASP A 56 2.787 -4.824 -12.159 1.00 0.00 C ATOM 864 C ASP A 56 3.670 -4.214 -13.244 1.00 0.00 C ATOM 865 O ASP A 56 3.426 -4.402 -14.436 1.00 0.00 O ATOM 866 CB ASP A 56 3.470 -6.056 -11.562 1.00 0.00 C ATOM 867 CG ASP A 56 2.492 -6.975 -10.856 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.544 -6.461 -10.225 1.00 0.00 O ATOM 869 OD2 ASP A 56 2.674 -8.207 -10.936 1.00 0.00 O ATOM 0 H ASP A 56 1.103 -6.060 -12.339 1.00 0.00 H new ATOM 0 HA ASP A 56 2.642 -4.082 -11.374 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.975 -6.608 -12.355 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.238 -5.737 -10.857 1.00 0.00 H new ATOM 874 N TYR A 57 4.695 -3.482 -12.822 1.00 0.00 N ATOM 875 CA TYR A 57 5.612 -2.841 -13.757 1.00 0.00 C ATOM 876 C TYR A 57 6.881 -2.381 -13.046 1.00 0.00 C ATOM 877 O TYR A 57 6.870 -2.110 -11.846 1.00 0.00 O ATOM 878 CB TYR A 57 4.933 -1.649 -14.434 1.00 0.00 C ATOM 879 CG TYR A 57 4.137 -0.785 -13.482 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.774 0.006 -12.533 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.749 -0.759 -13.532 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.051 0.797 -11.661 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.018 0.030 -12.664 1.00 0.00 C ATOM 884 CZ TYR A 57 2.673 0.805 -11.731 1.00 0.00 C ATOM 885 OH TYR A 57 1.949 1.593 -10.865 1.00 0.00 O ATOM 0 H TYR A 57 4.912 -3.318 -11.839 1.00 0.00 H new ATOM 0 HA TYR A 57 5.887 -3.573 -14.516 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.693 -1.036 -14.919 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.271 -2.016 -15.218 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.853 0.002 -12.476 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.232 -1.365 -14.261 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.561 1.405 -10.929 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.939 0.039 -12.716 1.00 0.00 H new ATOM 0 HH TYR A 57 1.532 1.029 -10.181 1.00 0.00 H new ATOM 895 N TRP A 58 7.973 -2.296 -13.797 1.00 0.00 N ATOM 896 CA TRP A 58 9.252 -1.868 -13.240 1.00 0.00 C ATOM 897 C TRP A 58 9.306 -0.351 -13.103 1.00 0.00 C ATOM 898 O TRP A 58 9.465 0.366 -14.092 1.00 0.00 O ATOM 899 CB TRP A 58 10.404 -2.354 -14.121 1.00 0.00 C ATOM 900 CG TRP A 58 10.833 -3.758 -13.817 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.603 -4.868 -14.578 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.565 -4.200 -12.669 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.148 -5.974 -13.972 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.744 -5.591 -12.800 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.087 -3.557 -11.544 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.422 -6.347 -11.847 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.760 -4.308 -10.599 1.00 0.00 C ATOM 908 CH2 TRP A 58 12.924 -5.691 -10.756 1.00 0.00 C ATOM 0 H TRP A 58 7.999 -2.517 -14.792 1.00 0.00 H new ATOM 0 HA TRP A 58 9.353 -2.307 -12.248 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.103 -2.292 -15.167 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.256 -1.686 -13.994 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.071 -4.875 -15.518 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.114 -6.926 -14.336 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.967 -2.492 -11.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.547 -7.413 -11.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.166 -3.821 -9.725 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.457 -6.250 -10.001 1.00 0.00 H new ATOM 919 N ILE A 59 9.172 0.133 -11.873 1.00 0.00 N ATOM 920 CA ILE A 59 9.208 1.566 -11.608 1.00 0.00 C ATOM 921 C ILE A 59 10.528 1.974 -10.964 1.00 0.00 C ATOM 922 O ILE A 59 11.101 1.226 -10.172 1.00 0.00 O ATOM 923 CB ILE A 59 8.047 1.998 -10.692 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.874 3.518 -10.734 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.294 1.527 -9.267 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.532 3.987 -10.217 1.00 0.00 C ATOM 0 H ILE A 59 9.038 -0.446 -11.044 1.00 0.00 H new ATOM 0 HA ILE A 59 9.107 2.067 -12.571 1.00 0.00 H new ATOM 0 HB ILE A 59 7.128 1.536 -11.053 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.664 3.982 -10.144 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.999 3.862 -11.761 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.465 1.840 -8.632 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.373 0.440 -9.252 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.221 1.963 -8.895 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.479 5.074 -10.276 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.737 3.552 -10.822 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.412 3.674 -9.180 1.00 0.00 H new ATOM 938 N ASP A 60 11.004 3.166 -11.307 1.00 0.00 N ATOM 939 CA ASP A 60 12.256 3.675 -10.760 1.00 0.00 C ATOM 940 C ASP A 60 12.125 3.947 -9.264 1.00 0.00 C ATOM 941 O ASP A 60 11.296 4.752 -8.840 1.00 0.00 O ATOM 942 CB ASP A 60 12.673 4.954 -11.488 1.00 0.00 C ATOM 943 CG ASP A 60 12.950 4.718 -12.960 1.00 0.00 C ATOM 944 OD1 ASP A 60 12.431 3.723 -13.509 1.00 0.00 O ATOM 945 OD2 ASP A 60 13.686 5.527 -13.563 1.00 0.00 O ATOM 0 H ASP A 60 10.542 3.798 -11.961 1.00 0.00 H new ATOM 0 HA ASP A 60 13.023 2.915 -10.907 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.886 5.701 -11.385 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.565 5.364 -11.014 1.00 0.00 H new ATOM 950 N ALA A 61 12.948 3.269 -8.471 1.00 0.00 N ATOM 951 CA ALA A 61 12.924 3.438 -7.023 1.00 0.00 C ATOM 952 C ALA A 61 13.128 4.899 -6.638 1.00 0.00 C ATOM 953 O ALA A 61 12.648 5.349 -5.597 1.00 0.00 O ATOM 954 CB ALA A 61 13.987 2.565 -6.373 1.00 0.00 C ATOM 0 H ALA A 61 13.639 2.598 -8.806 1.00 0.00 H new ATOM 0 HA ALA A 61 11.944 3.128 -6.661 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.958 2.701 -5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.795 1.519 -6.613 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.970 2.849 -6.748 1.00 0.00 H new ATOM 960 N ASP A 62 13.843 5.635 -7.482 1.00 0.00 N ATOM 961 CA ASP A 62 14.110 7.046 -7.229 1.00 0.00 C ATOM 962 C ASP A 62 13.062 7.927 -7.903 1.00 0.00 C ATOM 963 O ASP A 62 13.297 9.109 -8.150 1.00 0.00 O ATOM 964 CB ASP A 62 15.506 7.420 -7.729 1.00 0.00 C ATOM 965 CG ASP A 62 15.676 7.168 -9.214 1.00 0.00 C ATOM 966 OD1 ASP A 62 14.722 7.435 -9.975 1.00 0.00 O ATOM 967 OD2 ASP A 62 16.764 6.706 -9.616 1.00 0.00 O ATOM 0 H ASP A 62 14.248 5.278 -8.347 1.00 0.00 H new ATOM 0 HA ASP A 62 14.061 7.213 -6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.694 8.473 -7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 62 16.252 6.846 -7.178 1.00 0.00 H new ATOM 972 N SER A 63 11.906 7.341 -8.198 1.00 0.00 N ATOM 973 CA SER A 63 10.824 8.071 -8.848 1.00 0.00 C ATOM 974 C SER A 63 10.029 8.884 -7.830 1.00 0.00 C ATOM 975 O SER A 63 9.727 8.423 -6.729 1.00 0.00 O ATOM 976 CB SER A 63 9.894 7.102 -9.581 1.00 0.00 C ATOM 977 OG SER A 63 8.993 7.798 -10.424 1.00 0.00 O ATOM 0 H SER A 63 11.695 6.363 -7.997 1.00 0.00 H new ATOM 0 HA SER A 63 11.265 8.757 -9.571 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.485 6.404 -10.173 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.335 6.511 -8.856 1.00 0.00 H new ATOM 0 HG SER A 63 8.076 7.511 -10.231 1.00 0.00 H new ATOM 983 N PRO A 64 9.680 10.123 -8.206 1.00 0.00 N ATOM 984 CA PRO A 64 8.916 11.027 -7.342 1.00 0.00 C ATOM 985 C PRO A 64 7.472 10.571 -7.159 1.00 0.00 C ATOM 986 O PRO A 64 6.776 11.030 -6.253 1.00 0.00 O ATOM 987 CB PRO A 64 8.965 12.361 -8.092 1.00 0.00 C ATOM 988 CG PRO A 64 9.167 11.985 -9.520 1.00 0.00 C ATOM 989 CD PRO A 64 10.006 10.737 -9.504 1.00 0.00 C ATOM 0 HA PRO A 64 9.329 11.074 -6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.042 12.925 -7.958 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.778 12.990 -7.729 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.213 11.807 -10.016 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.667 12.784 -10.067 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.759 10.076 -10.335 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.069 10.966 -9.585 1.00 0.00 H new ATOM 997 N ASP A 65 7.028 9.667 -8.025 1.00 0.00 N ATOM 998 CA ASP A 65 5.667 9.148 -7.958 1.00 0.00 C ATOM 999 C ASP A 65 5.531 8.123 -6.836 1.00 0.00 C ATOM 1000 O ASP A 65 4.506 8.066 -6.156 1.00 0.00 O ATOM 1001 CB ASP A 65 5.273 8.515 -9.294 1.00 0.00 C ATOM 1002 CG ASP A 65 5.972 9.167 -10.471 1.00 0.00 C ATOM 1003 OD1 ASP A 65 6.050 10.413 -10.499 1.00 0.00 O ATOM 1004 OD2 ASP A 65 6.440 8.431 -11.364 1.00 0.00 O ATOM 0 H ASP A 65 7.591 9.278 -8.782 1.00 0.00 H new ATOM 0 HA ASP A 65 4.997 9.981 -7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.515 7.452 -9.275 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.194 8.594 -9.426 1.00 0.00 H new ATOM 1009 N ILE A 66 6.570 7.317 -6.649 1.00 0.00 N ATOM 1010 CA ILE A 66 6.566 6.295 -5.610 1.00 0.00 C ATOM 1011 C ILE A 66 6.443 6.920 -4.225 1.00 0.00 C ATOM 1012 O ILE A 66 7.253 7.763 -3.838 1.00 0.00 O ATOM 1013 CB ILE A 66 7.842 5.434 -5.661 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.761 4.431 -6.814 1.00 0.00 C ATOM 1015 CG2 ILE A 66 8.048 4.713 -4.338 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.030 3.631 -7.009 1.00 0.00 C ATOM 0 H ILE A 66 7.425 7.352 -7.203 1.00 0.00 H new ATOM 0 HA ILE A 66 5.701 5.659 -5.797 1.00 0.00 H new ATOM 0 HB ILE A 66 8.697 6.088 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.933 3.746 -6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.534 4.967 -7.736 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.954 4.109 -4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.146 5.445 -3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.192 4.068 -4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.900 2.941 -7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.857 4.308 -7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.248 3.067 -6.102 1.00 0.00 H new ATOM 1028 N HIS A 67 5.426 6.499 -3.479 1.00 0.00 N ATOM 1029 CA HIS A 67 5.198 7.016 -2.135 1.00 0.00 C ATOM 1030 C HIS A 67 5.114 5.878 -1.122 1.00 0.00 C ATOM 1031 O HIS A 67 4.654 4.777 -1.426 1.00 0.00 O ATOM 1032 CB HIS A 67 3.915 7.846 -2.095 1.00 0.00 C ATOM 1033 CG HIS A 67 3.950 9.047 -2.990 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.838 10.087 -2.819 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.200 9.367 -4.070 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.632 10.997 -3.754 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.643 10.584 -4.527 1.00 0.00 N ATOM 0 H HIS A 67 4.747 5.801 -3.783 1.00 0.00 H new ATOM 0 HA HIS A 67 6.042 7.653 -1.870 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.074 7.214 -2.381 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.735 8.172 -1.071 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.402 8.776 -4.494 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.179 11.921 -3.867 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.270 11.087 -5.332 1.00 0.00 H new ATOM 1046 N PRO A 68 5.568 6.147 0.111 1.00 0.00 N ATOM 1047 CA PRO A 68 5.554 5.158 1.193 1.00 0.00 C ATOM 1048 C PRO A 68 4.142 4.846 1.675 1.00 0.00 C ATOM 1049 O PRO A 68 3.201 5.591 1.398 1.00 0.00 O ATOM 1050 CB PRO A 68 6.361 5.836 2.303 1.00 0.00 C ATOM 1051 CG PRO A 68 6.218 7.295 2.038 1.00 0.00 C ATOM 1052 CD PRO A 68 6.129 7.438 0.544 1.00 0.00 C ATOM 0 HA PRO A 68 5.963 4.199 0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.977 5.573 3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.407 5.529 2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.326 7.694 2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.070 7.849 2.433 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.487 8.271 0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.107 7.621 0.099 1.00 0.00 H new ATOM 1060 N VAL A 69 3.999 3.741 2.399 1.00 0.00 N ATOM 1061 CA VAL A 69 2.701 3.331 2.922 1.00 0.00 C ATOM 1062 C VAL A 69 2.100 4.413 3.811 1.00 0.00 C ATOM 1063 O VAL A 69 0.881 4.542 3.913 1.00 0.00 O ATOM 1064 CB VAL A 69 2.808 2.022 3.726 1.00 0.00 C ATOM 1065 CG1 VAL A 69 1.585 1.838 4.612 1.00 0.00 C ATOM 1066 CG2 VAL A 69 2.982 0.835 2.791 1.00 0.00 C ATOM 0 H VAL A 69 4.767 3.113 2.637 1.00 0.00 H new ATOM 0 HA VAL A 69 2.051 3.169 2.063 1.00 0.00 H new ATOM 0 HB VAL A 69 3.687 2.081 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.678 0.908 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.510 2.674 5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.689 1.800 3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.056 -0.081 3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.124 0.770 2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.891 0.965 2.204 1.00 0.00 H new ATOM 1076 N GLY A 70 2.966 5.192 4.454 1.00 0.00 N ATOM 1077 CA GLY A 70 2.501 6.254 5.327 1.00 0.00 C ATOM 1078 C GLY A 70 2.337 7.573 4.598 1.00 0.00 C ATOM 1079 O GLY A 70 2.289 8.633 5.222 1.00 0.00 O ATOM 0 H GLY A 70 3.980 5.106 4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.547 5.966 5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.207 6.381 6.148 1.00 0.00 H new ATOM 1083 N TRP A 71 2.251 7.508 3.274 1.00 0.00 N ATOM 1084 CA TRP A 71 2.093 8.708 2.459 1.00 0.00 C ATOM 1085 C TRP A 71 0.703 9.308 2.638 1.00 0.00 C ATOM 1086 O TRP A 71 0.557 10.519 2.806 1.00 0.00 O ATOM 1087 CB TRP A 71 2.336 8.383 0.984 1.00 0.00 C ATOM 1088 CG TRP A 71 2.160 9.564 0.079 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.121 10.458 -0.298 1.00 0.00 C ATOM 1090 CD2 TRP A 71 0.948 9.980 -0.561 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.579 11.405 -1.134 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.249 11.133 -1.312 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.360 9.489 -0.575 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.288 11.802 -2.065 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.313 10.154 -1.323 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -0.985 11.299 -2.061 1.00 0.00 C ATOM 0 H TRP A 71 2.288 6.638 2.742 1.00 0.00 H new ATOM 0 HA TRP A 71 2.830 9.441 2.788 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.347 7.992 0.867 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.651 7.593 0.676 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.154 10.426 0.015 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.086 12.184 -1.554 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.622 8.606 -0.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.538 12.686 -2.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.328 9.785 -1.339 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.752 11.794 -2.638 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.314 8.454 2.601 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.694 8.901 2.758 1.00 0.00 C ATOM 1109 C CYS A 72 -1.828 9.841 3.952 1.00 0.00 C ATOM 1110 O CYS A 72 -2.651 10.755 3.946 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.624 7.700 2.932 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.555 6.943 4.572 1.00 0.00 S ATOM 0 H CYS A 72 -0.209 7.449 2.464 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.979 9.444 1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.648 8.015 2.732 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.371 6.947 2.185 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.378 5.938 4.621 1.00 0.00 H new ATOM 1118 N SER A 73 -1.013 9.607 4.977 1.00 0.00 N ATOM 1119 CA SER A 73 -1.044 10.429 6.181 1.00 0.00 C ATOM 1120 C SER A 73 -0.165 11.665 6.018 1.00 0.00 C ATOM 1121 O SER A 73 -0.639 12.797 6.120 1.00 0.00 O ATOM 1122 CB SER A 73 -0.581 9.615 7.391 1.00 0.00 C ATOM 1123 OG SER A 73 -1.371 8.451 7.555 1.00 0.00 O ATOM 0 H SER A 73 -0.324 8.855 4.997 1.00 0.00 H new ATOM 0 HA SER A 73 -2.071 10.755 6.343 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.465 9.334 7.266 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.640 10.228 8.290 1.00 0.00 H new ATOM 0 HG SER A 73 -1.620 8.098 6.675 1.00 0.00 H new ATOM 1129 N LYS A 74 1.120 11.440 5.764 1.00 0.00 N ATOM 1130 CA LYS A 74 2.067 12.533 5.585 1.00 0.00 C ATOM 1131 C LYS A 74 1.465 13.641 4.726 1.00 0.00 C ATOM 1132 O LYS A 74 1.628 14.826 5.017 1.00 0.00 O ATOM 1133 CB LYS A 74 3.357 12.018 4.941 1.00 0.00 C ATOM 1134 CG LYS A 74 4.217 11.191 5.881 1.00 0.00 C ATOM 1135 CD LYS A 74 5.452 10.653 5.178 1.00 0.00 C ATOM 1136 CE LYS A 74 5.198 9.279 4.579 1.00 0.00 C ATOM 1137 NZ LYS A 74 5.446 8.189 5.563 1.00 0.00 N ATOM 0 H LYS A 74 1.529 10.510 5.678 1.00 0.00 H new ATOM 0 HA LYS A 74 2.297 12.944 6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.103 11.415 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.939 12.867 4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.519 11.802 6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.631 10.361 6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.754 11.344 4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.279 10.595 5.886 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.168 9.222 4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.841 9.137 3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.262 7.269 5.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.435 8.227 5.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.814 8.309 6.381 1.00 0.00 H new ATOM 1151 N THR A 75 0.767 13.247 3.665 1.00 0.00 N ATOM 1152 CA THR A 75 0.140 14.205 2.764 1.00 0.00 C ATOM 1153 C THR A 75 -1.304 14.477 3.168 1.00 0.00 C ATOM 1154 O THR A 75 -1.694 15.624 3.381 1.00 0.00 O ATOM 1155 CB THR A 75 0.169 13.708 1.306 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.468 12.428 1.213 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.598 13.607 0.796 1.00 0.00 C ATOM 0 H THR A 75 0.622 12.270 3.409 1.00 0.00 H new ATOM 0 HA THR A 75 0.714 15.129 2.836 1.00 0.00 H new ATOM 0 HB THR A 75 -0.369 14.428 0.689 1.00 0.00 H new ATOM 0 HG1 THR A 75 0.094 11.751 1.643 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.592 13.254 -0.235 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.071 14.588 0.841 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.157 12.906 1.416 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.095 13.413 3.272 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.488 13.559 3.652 1.00 0.00 C ATOM 1167 C GLY A 76 -4.435 13.260 2.506 1.00 0.00 C ATOM 1168 O GLY A 76 -5.480 13.898 2.373 1.00 0.00 O ATOM 0 H GLY A 76 -1.796 12.453 3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.707 12.890 4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.660 14.575 4.006 1.00 0.00 H new ATOM 1172 N HIS A 77 -4.069 12.290 1.675 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.894 11.909 0.534 1.00 0.00 C ATOM 1174 C HIS A 77 -5.564 10.560 0.774 1.00 0.00 C ATOM 1175 O HIS A 77 -5.028 9.685 1.454 1.00 0.00 O ATOM 1176 CB HIS A 77 -4.046 11.852 -0.738 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.989 13.152 -1.479 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -3.622 14.341 -0.884 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -4.253 13.446 -2.773 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -3.665 15.310 -1.781 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -4.044 14.793 -2.936 1.00 0.00 N ATOM 0 H HIS A 77 -3.207 11.753 1.770 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.671 12.663 0.411 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.033 11.548 -0.476 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.448 11.084 -1.399 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.569 12.750 -3.536 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.430 16.349 -1.601 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -4.162 15.310 -3.807 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.766 10.386 0.204 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.535 9.146 0.342 1.00 0.00 C ATOM 1192 C PRO A 78 -6.900 7.982 -0.412 1.00 0.00 C ATOM 1193 O PRO A 78 -6.583 8.096 -1.596 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.893 9.501 -0.269 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.601 10.607 -1.224 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.465 11.386 -0.620 1.00 0.00 C ATOM 0 HA PRO A 78 -7.592 8.815 1.379 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.334 8.644 -0.778 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.602 9.816 0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.328 10.215 -2.204 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.476 11.241 -1.367 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.812 11.803 -1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.825 12.221 -0.019 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.718 6.864 0.282 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.120 5.678 -0.323 1.00 0.00 C ATOM 1206 C LEU A 79 -7.198 4.719 -0.819 1.00 0.00 C ATOM 1207 O LEU A 79 -8.248 4.574 -0.195 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.215 4.969 0.686 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.308 3.875 0.120 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.315 4.465 -0.870 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.578 3.154 1.244 1.00 0.00 C ATOM 0 H LEU A 79 -6.975 6.753 1.263 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.522 5.997 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.589 5.718 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.843 4.528 1.460 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.929 3.151 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.678 3.672 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.856 4.936 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.699 5.210 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.937 2.379 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.968 3.868 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.305 2.698 1.916 1.00 0.00 H new ATOM 1223 N GLN A 80 -6.927 4.065 -1.944 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.873 3.118 -2.523 1.00 0.00 C ATOM 1225 C GLN A 80 -7.467 1.682 -2.209 1.00 0.00 C ATOM 1226 O GLN A 80 -6.309 1.291 -2.362 1.00 0.00 O ATOM 1227 CB GLN A 80 -7.964 3.316 -4.037 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.369 4.724 -4.443 1.00 0.00 C ATOM 1229 CD GLN A 80 -9.818 5.030 -4.122 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -10.114 5.842 -3.245 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -10.732 4.380 -4.834 1.00 0.00 N ATOM 0 H GLN A 80 -6.061 4.173 -2.472 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.852 3.304 -2.080 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.998 3.081 -4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.685 2.608 -4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.728 5.443 -3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.203 4.851 -5.513 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.442 3.715 -5.551 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.724 4.546 -4.663 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.440 0.876 -1.760 1.00 0.00 N ATOM 1241 CA PRO A 81 -8.207 -0.530 -1.415 1.00 0.00 C ATOM 1242 C PRO A 81 -7.928 -1.389 -2.644 1.00 0.00 C ATOM 1243 O PRO A 81 -8.420 -1.124 -3.741 1.00 0.00 O ATOM 1244 CB PRO A 81 -9.520 -0.955 -0.752 1.00 0.00 C ATOM 1245 CG PRO A 81 -10.545 -0.034 -1.318 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.842 1.274 -1.553 1.00 0.00 C ATOM 0 HA PRO A 81 -7.332 -0.654 -0.777 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.757 -1.996 -0.974 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.463 -0.865 0.333 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.954 -0.430 -2.248 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.381 0.090 -0.629 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.244 1.796 -2.422 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.947 1.945 -0.701 1.00 0.00 H new ATOM 1254 N PRO A 82 -7.121 -2.444 -2.459 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.759 -3.364 -3.541 1.00 0.00 C ATOM 1256 C PRO A 82 -7.938 -4.221 -3.991 1.00 0.00 C ATOM 1257 O PRO A 82 -9.033 -4.132 -3.433 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.671 -4.239 -2.914 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.941 -4.189 -1.450 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.499 -2.820 -1.178 1.00 0.00 C ATOM 0 HA PRO A 82 -6.435 -2.833 -4.436 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.719 -5.261 -3.291 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.676 -3.860 -3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.649 -4.964 -1.157 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.028 -4.359 -0.879 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.227 -2.837 -0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.717 -2.117 -0.889 1.00 0.00 H new