USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 436 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 Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc=-0.00632 X(o=-0.0063,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 134:sc= -1.31 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0142 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 141:sc= 0.39 USER MOD Single : A 45 GLN : amide:sc= 0.722 K(o=0.72,f=-0.16) USER MOD Single : A 48 ASN : amide:sc= 0.0934 X(o=0.093,f=0) USER MOD Single : A 49 ASN : amide:sc= -14.5! C(o=-14!,f=-21!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= 0.46 F(o=-0.81,f=0.46) USER MOD Single : A 65 ASN : amide:sc= -0.0144 X(o=-0.014,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 13 -4.631 9.117 3.615 1.00 0.00 N ATOM 133 CA LEU A 13 -4.385 8.172 2.539 1.00 0.00 C ATOM 134 C LEU A 13 -2.987 8.410 1.966 1.00 0.00 C ATOM 135 O LEU A 13 -2.207 7.472 1.811 1.00 0.00 O ATOM 136 CB LEU A 13 -5.499 8.248 1.494 1.00 0.00 C ATOM 137 CG LEU A 13 -5.636 7.036 0.570 1.00 0.00 C ATOM 138 CD1 LEU A 13 -6.969 7.067 -0.182 1.00 0.00 C ATOM 139 CD2 LEU A 13 -4.443 6.934 -0.382 1.00 0.00 C ATOM 0 HA LEU A 13 -4.404 7.150 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.447 8.394 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.333 9.132 0.879 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.634 6.136 1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.041 6.195 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.791 7.055 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.026 7.974 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.566 6.064 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.387 7.835 -0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.524 6.830 0.196 1.00 0.00 H new ATOM 151 N ASP A 14 -2.712 9.671 1.667 1.00 0.00 N ATOM 152 CA ASP A 14 -1.421 10.045 1.115 1.00 0.00 C ATOM 153 C ASP A 14 -0.315 9.633 2.088 1.00 0.00 C ATOM 154 O ASP A 14 0.726 9.128 1.673 1.00 0.00 O ATOM 155 CB ASP A 14 -1.329 11.558 0.906 1.00 0.00 C ATOM 156 CG ASP A 14 -0.132 12.024 0.075 1.00 0.00 C ATOM 157 OD1 ASP A 14 0.214 11.296 -0.880 1.00 0.00 O ATOM 158 OD2 ASP A 14 0.410 13.099 0.413 1.00 0.00 O ATOM 0 H ASP A 14 -3.361 10.447 1.797 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.306 9.541 0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.244 11.899 0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.286 12.042 1.881 1.00 0.00 H new ATOM 163 N SER A 15 -0.580 9.866 3.366 1.00 0.00 N ATOM 164 CA SER A 15 0.380 9.525 4.402 1.00 0.00 C ATOM 165 C SER A 15 0.634 8.016 4.405 1.00 0.00 C ATOM 166 O SER A 15 1.776 7.575 4.281 1.00 0.00 O ATOM 167 CB SER A 15 -0.109 9.984 5.778 1.00 0.00 C ATOM 168 OG SER A 15 0.346 11.296 6.096 1.00 0.00 O ATOM 0 H SER A 15 -1.445 10.286 3.707 1.00 0.00 H new ATOM 0 HA SER A 15 1.314 10.043 4.186 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.199 9.963 5.801 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.240 9.285 6.538 1.00 0.00 H new ATOM 0 HG SER A 15 0.011 11.553 6.981 1.00 0.00 H new ATOM 174 N LEU A 16 -0.449 7.267 4.549 1.00 0.00 N ATOM 175 CA LEU A 16 -0.357 5.817 4.569 1.00 0.00 C ATOM 176 C LEU A 16 0.651 5.358 3.514 1.00 0.00 C ATOM 177 O LEU A 16 1.572 4.602 3.818 1.00 0.00 O ATOM 178 CB LEU A 16 -1.744 5.190 4.408 1.00 0.00 C ATOM 179 CG LEU A 16 -2.772 5.550 5.483 1.00 0.00 C ATOM 180 CD1 LEU A 16 -4.140 4.950 5.155 1.00 0.00 C ATOM 181 CD2 LEU A 16 -2.281 5.135 6.871 1.00 0.00 C ATOM 0 H LEU A 16 -1.394 7.636 4.653 1.00 0.00 H new ATOM 0 HA LEU A 16 0.014 5.473 5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.144 5.485 3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.631 4.106 4.390 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.890 6.633 5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.852 5.221 5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.487 5.337 4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.057 3.865 5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.030 5.402 7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.116 4.058 6.892 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.346 5.649 7.095 1.00 0.00 H new ATOM 193 N ILE A 17 0.443 5.836 2.296 1.00 0.00 N ATOM 194 CA ILE A 17 1.322 5.485 1.194 1.00 0.00 C ATOM 195 C ILE A 17 2.754 5.903 1.536 1.00 0.00 C ATOM 196 O ILE A 17 3.617 5.053 1.753 1.00 0.00 O ATOM 197 CB ILE A 17 0.804 6.081 -0.116 1.00 0.00 C ATOM 198 CG1 ILE A 17 -0.531 5.450 -0.516 1.00 0.00 C ATOM 199 CG2 ILE A 17 1.851 5.960 -1.226 1.00 0.00 C ATOM 200 CD1 ILE A 17 -1.247 6.302 -1.566 1.00 0.00 C ATOM 0 H ILE A 17 -0.322 6.464 2.048 1.00 0.00 H new ATOM 0 HA ILE A 17 1.332 4.405 1.044 1.00 0.00 H new ATOM 0 HB ILE A 17 0.623 7.144 0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.360 4.448 -0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.165 5.343 0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.457 6.391 -2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.755 6.494 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.087 4.909 -1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.193 5.831 -1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.438 7.295 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.621 6.387 -2.454 1.00 0.00 H new ATOM 212 N SER A 18 2.961 7.211 1.574 1.00 0.00 N ATOM 213 CA SER A 18 4.273 7.751 1.886 1.00 0.00 C ATOM 214 C SER A 18 4.931 6.923 2.992 1.00 0.00 C ATOM 215 O SER A 18 6.103 6.563 2.890 1.00 0.00 O ATOM 216 CB SER A 18 4.178 9.219 2.308 1.00 0.00 C ATOM 217 OG SER A 18 4.416 10.104 1.217 1.00 0.00 O ATOM 0 H SER A 18 2.242 7.912 1.394 1.00 0.00 H new ATOM 0 HA SER A 18 4.887 7.698 0.987 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.189 9.414 2.724 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.901 9.416 3.099 1.00 0.00 H new ATOM 0 HG SER A 18 4.345 11.031 1.526 1.00 0.00 H new ATOM 223 N GLN A 19 4.148 6.645 4.024 1.00 0.00 N ATOM 224 CA GLN A 19 4.640 5.866 5.148 1.00 0.00 C ATOM 225 C GLN A 19 5.269 4.562 4.655 1.00 0.00 C ATOM 226 O GLN A 19 6.431 4.280 4.946 1.00 0.00 O ATOM 227 CB GLN A 19 3.521 5.589 6.154 1.00 0.00 C ATOM 228 CG GLN A 19 3.058 6.882 6.830 1.00 0.00 C ATOM 229 CD GLN A 19 2.944 6.698 8.345 1.00 0.00 C ATOM 230 OE1 GLN A 19 3.925 6.535 9.052 1.00 0.00 O ATOM 231 NE2 GLN A 19 1.696 6.734 8.801 1.00 0.00 N ATOM 0 H GLN A 19 3.177 6.945 4.106 1.00 0.00 H new ATOM 0 HA GLN A 19 5.408 6.446 5.659 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.679 5.118 5.646 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.872 4.885 6.909 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.762 7.684 6.609 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.093 7.184 6.423 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.920 6.874 8.154 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.514 6.622 9.798 1.00 0.00 H new ATOM 240 N VAL A 20 4.475 3.801 3.916 1.00 0.00 N ATOM 241 CA VAL A 20 4.940 2.533 3.380 1.00 0.00 C ATOM 242 C VAL A 20 6.073 2.790 2.384 1.00 0.00 C ATOM 243 O VAL A 20 7.152 2.212 2.504 1.00 0.00 O ATOM 244 CB VAL A 20 3.769 1.763 2.767 1.00 0.00 C ATOM 245 CG1 VAL A 20 4.262 0.538 1.995 1.00 0.00 C ATOM 246 CG2 VAL A 20 2.754 1.364 3.840 1.00 0.00 C ATOM 0 H VAL A 20 3.512 4.038 3.676 1.00 0.00 H new ATOM 0 HA VAL A 20 5.342 1.907 4.176 1.00 0.00 H new ATOM 0 HB VAL A 20 3.267 2.424 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.409 0.009 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.928 0.857 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.800 -0.126 2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.932 0.818 3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.239 0.730 4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.367 2.260 4.326 1.00 0.00 H new ATOM 256 N LYS A 21 5.789 3.658 1.425 1.00 0.00 N ATOM 257 CA LYS A 21 6.770 3.999 0.409 1.00 0.00 C ATOM 258 C LYS A 21 8.113 4.291 1.082 1.00 0.00 C ATOM 259 O LYS A 21 9.138 3.728 0.700 1.00 0.00 O ATOM 260 CB LYS A 21 6.259 5.145 -0.467 1.00 0.00 C ATOM 261 CG LYS A 21 7.009 5.192 -1.800 1.00 0.00 C ATOM 262 CD LYS A 21 6.174 5.892 -2.874 1.00 0.00 C ATOM 263 CE LYS A 21 6.839 7.195 -3.322 1.00 0.00 C ATOM 264 NZ LYS A 21 6.422 8.316 -2.451 1.00 0.00 N ATOM 0 H LYS A 21 4.893 4.136 1.330 1.00 0.00 H new ATOM 0 HA LYS A 21 6.927 3.158 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.192 5.020 -0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.383 6.092 0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.956 5.717 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.248 4.179 -2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.048 5.230 -3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.178 6.103 -2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.923 7.086 -3.291 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.570 7.411 -4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.882 9.193 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.389 8.429 -2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.701 8.115 -1.469 1.00 0.00 H new ATOM 278 N ASP A 22 8.064 5.171 2.071 1.00 0.00 N ATOM 279 CA ASP A 22 9.264 5.545 2.800 1.00 0.00 C ATOM 280 C ASP A 22 10.058 4.284 3.148 1.00 0.00 C ATOM 281 O ASP A 22 11.276 4.338 3.311 1.00 0.00 O ATOM 282 CB ASP A 22 8.915 6.259 4.107 1.00 0.00 C ATOM 283 CG ASP A 22 8.798 7.781 4.001 1.00 0.00 C ATOM 284 OD1 ASP A 22 9.774 8.393 3.517 1.00 0.00 O ATOM 285 OD2 ASP A 22 7.734 8.298 4.407 1.00 0.00 O ATOM 0 H ASP A 22 7.212 5.636 2.385 1.00 0.00 H new ATOM 0 HA ASP A 22 9.847 6.215 2.168 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.971 5.862 4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.676 6.019 4.849 1.00 0.00 H new ATOM 290 N LEU A 23 9.335 3.178 3.252 1.00 0.00 N ATOM 291 CA LEU A 23 9.956 1.906 3.578 1.00 0.00 C ATOM 292 C LEU A 23 10.182 1.109 2.291 1.00 0.00 C ATOM 293 O LEU A 23 11.172 0.389 2.168 1.00 0.00 O ATOM 294 CB LEU A 23 9.130 1.159 4.627 1.00 0.00 C ATOM 295 CG LEU A 23 9.157 1.742 6.041 1.00 0.00 C ATOM 296 CD1 LEU A 23 8.305 0.903 6.996 1.00 0.00 C ATOM 297 CD2 LEU A 23 10.594 1.899 6.542 1.00 0.00 C ATOM 0 H LEU A 23 8.325 3.137 3.116 1.00 0.00 H new ATOM 0 HA LEU A 23 10.934 2.065 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.094 1.126 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.484 0.129 4.673 1.00 0.00 H new ATOM 0 HG LEU A 23 8.717 2.739 6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.341 1.339 7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.273 0.887 6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.693 -0.115 7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.585 2.315 7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.083 0.925 6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.140 2.569 5.878 1.00 0.00 H new ATOM 309 N LEU A 24 9.247 1.265 1.365 1.00 0.00 N ATOM 310 CA LEU A 24 9.332 0.569 0.092 1.00 0.00 C ATOM 311 C LEU A 24 9.142 1.573 -1.047 1.00 0.00 C ATOM 312 O LEU A 24 8.116 1.561 -1.725 1.00 0.00 O ATOM 313 CB LEU A 24 8.344 -0.599 0.054 1.00 0.00 C ATOM 314 CG LEU A 24 8.594 -1.723 1.061 1.00 0.00 C ATOM 315 CD1 LEU A 24 7.499 -2.787 0.979 1.00 0.00 C ATOM 316 CD2 LEU A 24 9.991 -2.321 0.879 1.00 0.00 C ATOM 0 H LEU A 24 8.427 1.863 1.471 1.00 0.00 H new ATOM 0 HA LEU A 24 10.320 0.126 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.341 -0.206 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.357 -1.027 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 24 8.554 -1.298 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.701 -3.574 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.533 -2.332 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.481 -3.214 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.143 -3.118 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.085 -2.727 -0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.741 -1.545 1.028 1.00 0.00 H new ATOM 328 N PRO A 25 10.173 2.441 -1.226 1.00 0.00 N ATOM 329 CA PRO A 25 10.130 3.450 -2.271 1.00 0.00 C ATOM 330 C PRO A 25 10.371 2.825 -3.646 1.00 0.00 C ATOM 331 O PRO A 25 9.795 3.263 -4.641 1.00 0.00 O ATOM 332 CB PRO A 25 11.195 4.463 -1.884 1.00 0.00 C ATOM 333 CG PRO A 25 12.107 3.753 -0.897 1.00 0.00 C ATOM 334 CD PRO A 25 11.404 2.485 -0.442 1.00 0.00 C ATOM 0 HA PRO A 25 9.155 3.930 -2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.752 4.798 -2.759 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.746 5.349 -1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.062 3.513 -1.364 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.322 4.397 -0.044 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.020 1.604 -0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.192 2.512 0.627 1.00 0.00 H new ATOM 342 N ASP A 26 11.224 1.811 -3.659 1.00 0.00 N ATOM 343 CA ASP A 26 11.548 1.121 -4.896 1.00 0.00 C ATOM 344 C ASP A 26 10.267 0.895 -5.700 1.00 0.00 C ATOM 345 O ASP A 26 10.189 1.270 -6.870 1.00 0.00 O ATOM 346 CB ASP A 26 12.178 -0.245 -4.617 1.00 0.00 C ATOM 347 CG ASP A 26 13.687 -0.222 -4.366 1.00 0.00 C ATOM 348 OD1 ASP A 26 14.089 0.435 -3.382 1.00 0.00 O ATOM 349 OD2 ASP A 26 14.405 -0.862 -5.165 1.00 0.00 O ATOM 0 H ASP A 26 11.701 1.451 -2.832 1.00 0.00 H new ATOM 0 HA ASP A 26 12.256 1.738 -5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.687 -0.684 -3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.976 -0.901 -5.463 1.00 0.00 H new ATOM 354 N LEU A 27 9.293 0.284 -5.042 1.00 0.00 N ATOM 355 CA LEU A 27 8.018 0.004 -5.681 1.00 0.00 C ATOM 356 C LEU A 27 7.341 1.323 -6.059 1.00 0.00 C ATOM 357 O LEU A 27 7.791 2.394 -5.654 1.00 0.00 O ATOM 358 CB LEU A 27 7.159 -0.896 -4.791 1.00 0.00 C ATOM 359 CG LEU A 27 7.728 -2.284 -4.491 1.00 0.00 C ATOM 360 CD1 LEU A 27 7.017 -2.922 -3.296 1.00 0.00 C ATOM 361 CD2 LEU A 27 7.677 -3.177 -5.732 1.00 0.00 C ATOM 0 H LEU A 27 9.361 -0.025 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 27 8.169 -0.553 -6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.990 -0.382 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.185 -1.019 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 27 8.777 -2.171 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.441 -3.908 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.149 -2.293 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.954 -3.021 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.087 -4.158 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.643 -3.287 -6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.264 -2.724 -6.531 1.00 0.00 H new ATOM 373 N GLY A 28 6.271 1.202 -6.830 1.00 0.00 N ATOM 374 CA GLY A 28 5.527 2.371 -7.267 1.00 0.00 C ATOM 375 C GLY A 28 4.284 2.585 -6.402 1.00 0.00 C ATOM 376 O GLY A 28 3.682 1.624 -5.925 1.00 0.00 O ATOM 0 H GLY A 28 5.901 0.312 -7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.166 3.253 -7.216 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.232 2.250 -8.309 1.00 0.00 H new ATOM 380 N GLU A 29 3.936 3.851 -6.225 1.00 0.00 N ATOM 381 CA GLU A 29 2.776 4.204 -5.425 1.00 0.00 C ATOM 382 C GLU A 29 1.547 3.427 -5.901 1.00 0.00 C ATOM 383 O GLU A 29 0.854 2.802 -5.100 1.00 0.00 O ATOM 384 CB GLU A 29 2.520 5.712 -5.464 1.00 0.00 C ATOM 385 CG GLU A 29 3.282 6.426 -4.346 1.00 0.00 C ATOM 386 CD GLU A 29 3.128 7.944 -4.461 1.00 0.00 C ATOM 387 OE1 GLU A 29 3.829 8.522 -5.320 1.00 0.00 O ATOM 388 OE2 GLU A 29 2.312 8.492 -3.688 1.00 0.00 O ATOM 0 H GLU A 29 4.438 4.645 -6.622 1.00 0.00 H new ATOM 0 HA GLU A 29 2.977 3.930 -4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.826 6.112 -6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.452 5.906 -5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.911 6.092 -3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.338 6.159 -4.393 1.00 0.00 H new ATOM 395 N GLY A 30 1.314 3.491 -7.204 1.00 0.00 N ATOM 396 CA GLY A 30 0.181 2.801 -7.797 1.00 0.00 C ATOM 397 C GLY A 30 -0.031 1.434 -7.144 1.00 0.00 C ATOM 398 O GLY A 30 -1.160 1.061 -6.829 1.00 0.00 O ATOM 0 H GLY A 30 1.891 4.010 -7.866 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.718 3.406 -7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.347 2.675 -8.867 1.00 0.00 H new ATOM 402 N PHE A 31 1.072 0.724 -6.961 1.00 0.00 N ATOM 403 CA PHE A 31 1.021 -0.594 -6.352 1.00 0.00 C ATOM 404 C PHE A 31 0.896 -0.490 -4.830 1.00 0.00 C ATOM 405 O PHE A 31 0.256 -1.329 -4.198 1.00 0.00 O ATOM 406 CB PHE A 31 2.336 -1.297 -6.696 1.00 0.00 C ATOM 407 CG PHE A 31 2.560 -2.606 -5.935 1.00 0.00 C ATOM 408 CD1 PHE A 31 1.897 -3.732 -6.310 1.00 0.00 C ATOM 409 CD2 PHE A 31 3.422 -2.642 -4.884 1.00 0.00 C ATOM 410 CE1 PHE A 31 2.105 -4.947 -5.604 1.00 0.00 C ATOM 411 CE2 PHE A 31 3.630 -3.856 -4.178 1.00 0.00 C ATOM 412 CZ PHE A 31 2.967 -4.983 -4.553 1.00 0.00 C ATOM 0 H PHE A 31 2.007 1.037 -7.224 1.00 0.00 H new ATOM 0 HA PHE A 31 0.156 -1.143 -6.725 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.357 -1.503 -7.766 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.164 -0.620 -6.485 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.212 -3.703 -7.145 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.948 -1.747 -4.586 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.579 -5.842 -5.902 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.315 -3.885 -3.343 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.125 -5.907 -4.016 1.00 0.00 H new ATOM 422 N ILE A 32 1.517 0.546 -4.287 1.00 0.00 N ATOM 423 CA ILE A 32 1.482 0.770 -2.852 1.00 0.00 C ATOM 424 C ILE A 32 0.059 1.145 -2.432 1.00 0.00 C ATOM 425 O ILE A 32 -0.396 0.759 -1.356 1.00 0.00 O ATOM 426 CB ILE A 32 2.535 1.804 -2.445 1.00 0.00 C ATOM 427 CG1 ILE A 32 3.940 1.336 -2.831 1.00 0.00 C ATOM 428 CG2 ILE A 32 2.430 2.137 -0.956 1.00 0.00 C ATOM 429 CD1 ILE A 32 4.938 2.495 -2.776 1.00 0.00 C ATOM 0 H ILE A 32 2.047 1.240 -4.815 1.00 0.00 H new ATOM 0 HA ILE A 32 1.742 -0.144 -2.318 1.00 0.00 H new ATOM 0 HB ILE A 32 2.340 2.725 -2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.261 0.542 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.923 0.913 -3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.189 2.874 -0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.441 2.543 -0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.585 1.232 -0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.929 2.136 -3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.627 3.276 -3.470 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.970 2.900 -1.764 1.00 0.00 H new ATOM 441 N LEU A 33 -0.603 1.891 -3.303 1.00 0.00 N ATOM 442 CA LEU A 33 -1.965 2.322 -3.036 1.00 0.00 C ATOM 443 C LEU A 33 -2.898 1.111 -3.093 1.00 0.00 C ATOM 444 O LEU A 33 -3.660 0.866 -2.159 1.00 0.00 O ATOM 445 CB LEU A 33 -2.366 3.452 -3.987 1.00 0.00 C ATOM 446 CG LEU A 33 -3.841 3.856 -3.964 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.686 2.894 -4.801 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.356 3.971 -2.528 1.00 0.00 C ATOM 0 H LEU A 33 -0.222 2.208 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.043 2.739 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.766 4.330 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.107 3.154 -5.003 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.932 4.843 -4.418 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.730 3.204 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.336 2.907 -5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.594 1.885 -4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.407 4.259 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.249 3.010 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.779 4.726 -1.994 1.00 0.00 H new ATOM 460 N ALA A 34 -2.808 0.386 -4.198 1.00 0.00 N ATOM 461 CA ALA A 34 -3.635 -0.794 -4.388 1.00 0.00 C ATOM 462 C ALA A 34 -3.545 -1.681 -3.145 1.00 0.00 C ATOM 463 O ALA A 34 -4.562 -2.005 -2.534 1.00 0.00 O ATOM 464 CB ALA A 34 -3.198 -1.525 -5.659 1.00 0.00 C ATOM 0 H ALA A 34 -2.175 0.593 -4.971 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.680 -0.513 -4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.818 -2.410 -5.801 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.310 -0.862 -6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.154 -1.825 -5.566 1.00 0.00 H new ATOM 470 N CYS A 35 -2.317 -2.049 -2.808 1.00 0.00 N ATOM 471 CA CYS A 35 -2.081 -2.892 -1.649 1.00 0.00 C ATOM 472 C CYS A 35 -2.842 -2.301 -0.461 1.00 0.00 C ATOM 473 O CYS A 35 -3.761 -2.926 0.065 1.00 0.00 O ATOM 474 CB CYS A 35 -0.587 -3.041 -1.353 1.00 0.00 C ATOM 475 SG CYS A 35 0.137 -4.338 -2.421 1.00 0.00 S ATOM 0 H CYS A 35 -1.476 -1.779 -3.317 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.447 -3.899 -1.848 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.078 -2.092 -1.523 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.440 -3.298 -0.304 1.00 0.00 H new ATOM 0 HG CYS A 35 1.254 -3.909 -2.928 1.00 0.00 H new ATOM 481 N LEU A 36 -2.431 -1.103 -0.073 1.00 0.00 N ATOM 482 CA LEU A 36 -3.063 -0.420 1.043 1.00 0.00 C ATOM 483 C LEU A 36 -4.576 -0.631 0.974 1.00 0.00 C ATOM 484 O LEU A 36 -5.162 -1.246 1.864 1.00 0.00 O ATOM 485 CB LEU A 36 -2.648 1.053 1.074 1.00 0.00 C ATOM 486 CG LEU A 36 -1.340 1.366 1.803 1.00 0.00 C ATOM 487 CD1 LEU A 36 -0.762 2.705 1.340 1.00 0.00 C ATOM 488 CD2 LEU A 36 -1.533 1.319 3.320 1.00 0.00 C ATOM 0 H LEU A 36 -1.668 -0.588 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.725 -0.843 1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.562 1.407 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.448 1.626 1.543 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.613 0.595 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.168 2.904 1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.564 2.665 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.477 3.501 1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.588 1.545 3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.282 2.054 3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.867 0.324 3.614 1.00 0.00 H new ATOM 500 N GLU A 37 -5.166 -0.110 -0.092 1.00 0.00 N ATOM 501 CA GLU A 37 -6.601 -0.235 -0.288 1.00 0.00 C ATOM 502 C GLU A 37 -7.067 -1.643 0.084 1.00 0.00 C ATOM 503 O GLU A 37 -7.924 -1.808 0.952 1.00 0.00 O ATOM 504 CB GLU A 37 -6.988 0.109 -1.728 1.00 0.00 C ATOM 505 CG GLU A 37 -7.187 1.616 -1.897 1.00 0.00 C ATOM 506 CD GLU A 37 -8.512 1.919 -2.601 1.00 0.00 C ATOM 507 OE1 GLU A 37 -8.489 1.987 -3.849 1.00 0.00 O ATOM 508 OE2 GLU A 37 -9.517 2.075 -1.874 1.00 0.00 O ATOM 0 H GLU A 37 -4.677 0.399 -0.828 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.102 0.476 0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.211 -0.238 -2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.905 -0.415 -1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.171 2.100 -0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.361 2.033 -2.473 1.00 0.00 H new ATOM 515 N TYR A 38 -6.484 -2.623 -0.591 1.00 0.00 N ATOM 516 CA TYR A 38 -6.830 -4.012 -0.342 1.00 0.00 C ATOM 517 C TYR A 38 -6.695 -4.353 1.144 1.00 0.00 C ATOM 518 O TYR A 38 -7.589 -4.964 1.728 1.00 0.00 O ATOM 519 CB TYR A 38 -5.823 -4.846 -1.137 1.00 0.00 C ATOM 520 CG TYR A 38 -6.126 -6.346 -1.145 1.00 0.00 C ATOM 521 CD1 TYR A 38 -5.866 -7.109 -0.025 1.00 0.00 C ATOM 522 CD2 TYR A 38 -6.660 -6.935 -2.273 1.00 0.00 C ATOM 523 CE1 TYR A 38 -6.151 -8.520 -0.033 1.00 0.00 C ATOM 524 CE2 TYR A 38 -6.946 -8.347 -2.281 1.00 0.00 C ATOM 525 CZ TYR A 38 -6.677 -9.070 -1.160 1.00 0.00 C ATOM 526 OH TYR A 38 -6.947 -10.403 -1.168 1.00 0.00 O ATOM 0 H TYR A 38 -5.774 -2.482 -1.310 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.861 -4.209 -0.635 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.799 -4.485 -2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.828 -4.689 -0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.449 -6.647 0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.863 -6.338 -3.149 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.951 -9.128 0.837 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.364 -8.821 -3.157 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.320 -10.656 -2.038 1.00 0.00 H new ATOM 536 N TYR A 39 -5.572 -3.942 1.713 1.00 0.00 N ATOM 537 CA TYR A 39 -5.309 -4.196 3.120 1.00 0.00 C ATOM 538 C TYR A 39 -5.912 -3.097 3.997 1.00 0.00 C ATOM 539 O TYR A 39 -5.259 -2.602 4.915 1.00 0.00 O ATOM 540 CB TYR A 39 -3.787 -4.178 3.274 1.00 0.00 C ATOM 541 CG TYR A 39 -3.085 -5.393 2.663 1.00 0.00 C ATOM 542 CD1 TYR A 39 -3.166 -6.621 3.286 1.00 0.00 C ATOM 543 CD2 TYR A 39 -2.372 -5.259 1.489 1.00 0.00 C ATOM 544 CE1 TYR A 39 -2.505 -7.765 2.711 1.00 0.00 C ATOM 545 CE2 TYR A 39 -1.712 -6.402 0.914 1.00 0.00 C ATOM 546 CZ TYR A 39 -1.811 -7.599 1.554 1.00 0.00 C ATOM 547 OH TYR A 39 -1.187 -8.678 1.011 1.00 0.00 O ATOM 0 H TYR A 39 -4.833 -3.435 1.226 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.749 -5.144 3.428 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.396 -3.273 2.809 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.540 -4.124 4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.725 -6.725 4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.309 -4.297 1.002 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.560 -8.732 3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.151 -6.312 -0.004 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.731 -8.411 0.186 1.00 0.00 H new ATOM 557 N HIS A 40 -7.151 -2.747 3.684 1.00 0.00 N ATOM 558 CA HIS A 40 -7.849 -1.715 4.433 1.00 0.00 C ATOM 559 C HIS A 40 -6.881 -0.578 4.765 1.00 0.00 C ATOM 560 O HIS A 40 -6.686 -0.246 5.933 1.00 0.00 O ATOM 561 CB HIS A 40 -8.520 -2.305 5.675 1.00 0.00 C ATOM 562 CG HIS A 40 -9.450 -3.458 5.382 1.00 0.00 C ATOM 563 ND1 HIS A 40 -10.819 -3.301 5.249 1.00 0.00 N ATOM 564 CD2 HIS A 40 -9.195 -4.784 5.195 1.00 0.00 C ATOM 565 CE1 HIS A 40 -11.353 -4.486 4.996 1.00 0.00 C ATOM 566 NE2 HIS A 40 -10.345 -5.405 4.964 1.00 0.00 N ATOM 0 H HIS A 40 -7.690 -3.159 2.922 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.650 -1.297 3.823 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.748 -2.641 6.367 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.081 -1.519 6.180 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -8.222 -5.250 5.229 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.402 -4.689 4.842 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.457 -6.404 4.791 1.00 0.00 H new ATOM 574 N TYR A 41 -6.299 -0.014 3.717 1.00 0.00 N ATOM 575 CA TYR A 41 -5.356 1.079 3.883 1.00 0.00 C ATOM 576 C TYR A 41 -4.475 0.860 5.115 1.00 0.00 C ATOM 577 O TYR A 41 -4.316 1.761 5.937 1.00 0.00 O ATOM 578 CB TYR A 41 -6.201 2.337 4.093 1.00 0.00 C ATOM 579 CG TYR A 41 -6.838 2.879 2.811 1.00 0.00 C ATOM 580 CD1 TYR A 41 -6.042 3.393 1.809 1.00 0.00 C ATOM 581 CD2 TYR A 41 -8.209 2.853 2.659 1.00 0.00 C ATOM 582 CE1 TYR A 41 -6.642 3.903 0.603 1.00 0.00 C ATOM 583 CE2 TYR A 41 -8.809 3.363 1.453 1.00 0.00 C ATOM 584 CZ TYR A 41 -7.996 3.863 0.485 1.00 0.00 C ATOM 585 OH TYR A 41 -8.562 4.344 -0.654 1.00 0.00 O ATOM 0 H TYR A 41 -6.462 -0.293 2.750 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.701 1.156 3.015 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.989 2.117 4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.575 3.114 4.532 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.969 3.413 1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.832 2.450 3.444 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.030 4.308 -0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.881 3.349 1.321 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.312 3.770 -0.914 1.00 0.00 H new ATOM 595 N ASP A 42 -3.924 -0.342 5.203 1.00 0.00 N ATOM 596 CA ASP A 42 -3.063 -0.690 6.320 1.00 0.00 C ATOM 597 C ASP A 42 -1.605 -0.681 5.857 1.00 0.00 C ATOM 598 O ASP A 42 -1.212 -1.488 5.016 1.00 0.00 O ATOM 599 CB ASP A 42 -3.383 -2.091 6.846 1.00 0.00 C ATOM 600 CG ASP A 42 -4.731 -2.222 7.559 1.00 0.00 C ATOM 601 OD1 ASP A 42 -5.014 -1.345 8.403 1.00 0.00 O ATOM 602 OD2 ASP A 42 -5.447 -3.196 7.243 1.00 0.00 O ATOM 0 H ASP A 42 -4.057 -1.087 4.519 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.228 0.040 7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.362 -2.790 6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.594 -2.393 7.535 1.00 0.00 H new ATOM 607 N PRO A 43 -0.822 0.266 6.441 1.00 0.00 N ATOM 608 CA PRO A 43 0.584 0.391 6.097 1.00 0.00 C ATOM 609 C PRO A 43 1.406 -0.731 6.734 1.00 0.00 C ATOM 610 O PRO A 43 2.449 -1.117 6.208 1.00 0.00 O ATOM 611 CB PRO A 43 0.987 1.773 6.585 1.00 0.00 C ATOM 612 CG PRO A 43 -0.074 2.185 7.592 1.00 0.00 C ATOM 613 CD PRO A 43 -1.254 1.238 7.440 1.00 0.00 C ATOM 0 HA PRO A 43 0.766 0.292 5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 43 1.975 1.752 7.045 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.036 2.481 5.757 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.324 2.140 8.606 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.386 3.215 7.418 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.497 0.753 8.385 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.149 1.769 7.115 1.00 0.00 H new ATOM 621 N GLU A 44 0.906 -1.224 7.857 1.00 0.00 N ATOM 622 CA GLU A 44 1.581 -2.294 8.572 1.00 0.00 C ATOM 623 C GLU A 44 1.411 -3.619 7.826 1.00 0.00 C ATOM 624 O GLU A 44 2.365 -4.384 7.688 1.00 0.00 O ATOM 625 CB GLU A 44 1.067 -2.403 10.009 1.00 0.00 C ATOM 626 CG GLU A 44 1.377 -3.781 10.598 1.00 0.00 C ATOM 627 CD GLU A 44 1.834 -3.664 12.054 1.00 0.00 C ATOM 628 OE1 GLU A 44 3.008 -3.286 12.251 1.00 0.00 O ATOM 629 OE2 GLU A 44 0.998 -3.956 12.936 1.00 0.00 O ATOM 0 H GLU A 44 0.040 -0.902 8.290 1.00 0.00 H new ATOM 0 HA GLU A 44 2.644 -2.060 8.619 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.527 -1.629 10.623 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.009 -2.229 10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.491 -4.413 10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.153 -4.267 10.007 1.00 0.00 H new ATOM 636 N GLN A 45 0.191 -3.850 7.364 1.00 0.00 N ATOM 637 CA GLN A 45 -0.116 -5.069 6.636 1.00 0.00 C ATOM 638 C GLN A 45 0.646 -5.101 5.310 1.00 0.00 C ATOM 639 O GLN A 45 1.397 -6.037 5.043 1.00 0.00 O ATOM 640 CB GLN A 45 -1.622 -5.207 6.408 1.00 0.00 C ATOM 641 CG GLN A 45 -2.344 -5.564 7.709 1.00 0.00 C ATOM 642 CD GLN A 45 -3.595 -6.400 7.430 1.00 0.00 C ATOM 643 OE1 GLN A 45 -3.528 -7.562 7.065 1.00 0.00 O ATOM 644 NE2 GLN A 45 -4.736 -5.745 7.622 1.00 0.00 N ATOM 0 H GLN A 45 -0.597 -3.213 7.480 1.00 0.00 H new ATOM 0 HA GLN A 45 0.205 -5.919 7.237 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.020 -4.273 6.012 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.811 -5.977 5.660 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.670 -6.118 8.363 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.622 -4.652 8.237 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.720 -4.772 7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.627 -6.215 7.463 1.00 0.00 H new ATOM 653 N VAL A 46 0.424 -4.066 4.512 1.00 0.00 N ATOM 654 CA VAL A 46 1.080 -3.964 3.220 1.00 0.00 C ATOM 655 C VAL A 46 2.534 -4.421 3.353 1.00 0.00 C ATOM 656 O VAL A 46 3.007 -5.237 2.563 1.00 0.00 O ATOM 657 CB VAL A 46 0.949 -2.539 2.678 1.00 0.00 C ATOM 658 CG1 VAL A 46 1.919 -2.302 1.518 1.00 0.00 C ATOM 659 CG2 VAL A 46 -0.492 -2.243 2.257 1.00 0.00 C ATOM 0 H VAL A 46 -0.201 -3.291 4.736 1.00 0.00 H new ATOM 0 HA VAL A 46 0.598 -4.620 2.495 1.00 0.00 H new ATOM 0 HB VAL A 46 1.212 -1.850 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.805 -1.282 1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.942 -2.452 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.701 -3.003 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.558 -1.224 1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.794 -2.942 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.152 -2.351 3.118 1.00 0.00 H new ATOM 669 N ILE A 47 3.203 -3.876 4.358 1.00 0.00 N ATOM 670 CA ILE A 47 4.594 -4.218 4.604 1.00 0.00 C ATOM 671 C ILE A 47 4.682 -5.673 5.068 1.00 0.00 C ATOM 672 O ILE A 47 5.346 -6.491 4.434 1.00 0.00 O ATOM 673 CB ILE A 47 5.226 -3.222 5.579 1.00 0.00 C ATOM 674 CG1 ILE A 47 5.220 -1.807 4.997 1.00 0.00 C ATOM 675 CG2 ILE A 47 6.632 -3.669 5.985 1.00 0.00 C ATOM 676 CD1 ILE A 47 5.566 -0.772 6.070 1.00 0.00 C ATOM 0 H ILE A 47 2.808 -3.200 5.012 1.00 0.00 H new ATOM 0 HA ILE A 47 5.174 -4.140 3.684 1.00 0.00 H new ATOM 0 HB ILE A 47 4.621 -3.200 6.485 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.938 -1.743 4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.239 -1.587 4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.058 -2.944 6.678 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.578 -4.645 6.468 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.262 -3.738 5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.555 0.225 5.630 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.832 -0.822 6.874 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.558 -0.981 6.471 1.00 0.00 H new ATOM 688 N ASN A 48 4.002 -5.951 6.171 1.00 0.00 N ATOM 689 CA ASN A 48 3.996 -7.293 6.728 1.00 0.00 C ATOM 690 C ASN A 48 3.832 -8.309 5.596 1.00 0.00 C ATOM 691 O ASN A 48 4.587 -9.277 5.511 1.00 0.00 O ATOM 692 CB ASN A 48 2.831 -7.480 7.702 1.00 0.00 C ATOM 693 CG ASN A 48 3.319 -7.452 9.152 1.00 0.00 C ATOM 694 OD1 ASN A 48 3.289 -8.443 9.863 1.00 0.00 O ATOM 695 ND2 ASN A 48 3.770 -6.265 9.549 1.00 0.00 N ATOM 0 H ASN A 48 3.451 -5.270 6.694 1.00 0.00 H new ATOM 0 HA ASN A 48 4.937 -7.442 7.258 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.093 -6.693 7.548 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.332 -8.428 7.501 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.119 -6.144 10.500 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.767 -5.476 8.902 1.00 0.00 H new ATOM 702 N ASN A 49 2.841 -8.055 4.753 1.00 0.00 N ATOM 703 CA ASN A 49 2.569 -8.935 3.630 1.00 0.00 C ATOM 704 C ASN A 49 3.860 -9.161 2.840 1.00 0.00 C ATOM 705 O ASN A 49 4.380 -10.275 2.800 1.00 0.00 O ATOM 706 CB ASN A 49 1.538 -8.317 2.684 1.00 0.00 C ATOM 707 CG ASN A 49 0.317 -7.813 3.456 1.00 0.00 C ATOM 708 OD1 ASN A 49 -0.122 -6.685 3.306 1.00 0.00 O ATOM 709 ND2 ASN A 49 -0.204 -8.710 4.289 1.00 0.00 N ATOM 0 H ASN A 49 2.217 -7.252 4.826 1.00 0.00 H new ATOM 0 HA ASN A 49 2.180 -9.874 4.024 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.992 -7.492 2.135 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.226 -9.057 1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.021 -8.470 4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.213 -9.637 4.366 1.00 0.00 H new ATOM 716 N ILE A 50 4.340 -8.086 2.232 1.00 0.00 N ATOM 717 CA ILE A 50 5.560 -8.153 1.446 1.00 0.00 C ATOM 718 C ILE A 50 6.655 -8.837 2.268 1.00 0.00 C ATOM 719 O ILE A 50 7.314 -9.756 1.787 1.00 0.00 O ATOM 720 CB ILE A 50 5.949 -6.763 0.940 1.00 0.00 C ATOM 721 CG1 ILE A 50 4.835 -6.160 0.082 1.00 0.00 C ATOM 722 CG2 ILE A 50 7.286 -6.803 0.198 1.00 0.00 C ATOM 723 CD1 ILE A 50 4.856 -4.632 0.149 1.00 0.00 C ATOM 0 H ILE A 50 3.906 -7.164 2.268 1.00 0.00 H new ATOM 0 HA ILE A 50 5.405 -8.760 0.554 1.00 0.00 H new ATOM 0 HB ILE A 50 6.080 -6.110 1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.952 -6.484 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.868 -6.529 0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.539 -5.802 -0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.065 -7.160 0.871 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.208 -7.476 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.054 -4.230 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.714 -4.311 1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.815 -4.265 -0.216 1.00 0.00 H new ATOM 735 N LEU A 51 6.813 -8.361 3.495 1.00 0.00 N ATOM 736 CA LEU A 51 7.817 -8.914 4.388 1.00 0.00 C ATOM 737 C LEU A 51 7.627 -10.429 4.485 1.00 0.00 C ATOM 738 O LEU A 51 8.584 -11.189 4.338 1.00 0.00 O ATOM 739 CB LEU A 51 7.779 -8.202 5.742 1.00 0.00 C ATOM 740 CG LEU A 51 8.765 -7.045 5.918 1.00 0.00 C ATOM 741 CD1 LEU A 51 8.498 -6.292 7.223 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.211 -7.537 5.826 1.00 0.00 C ATOM 0 H LEU A 51 6.263 -7.599 3.891 1.00 0.00 H new ATOM 0 HA LEU A 51 8.817 -8.742 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.770 -7.821 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.970 -8.938 6.523 1.00 0.00 H new ATOM 0 HG LEU A 51 8.613 -6.339 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.212 -5.475 7.324 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.485 -5.889 7.210 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.606 -6.975 8.066 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.891 -6.695 5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.395 -8.274 6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.379 -7.993 4.850 1.00 0.00 H new ATOM 754 N GLU A 52 6.386 -10.824 4.731 1.00 0.00 N ATOM 755 CA GLU A 52 6.059 -12.235 4.848 1.00 0.00 C ATOM 756 C GLU A 52 5.734 -12.821 3.473 1.00 0.00 C ATOM 757 O GLU A 52 5.182 -13.916 3.376 1.00 0.00 O ATOM 758 CB GLU A 52 4.900 -12.449 5.824 1.00 0.00 C ATOM 759 CG GLU A 52 5.249 -11.917 7.215 1.00 0.00 C ATOM 760 CD GLU A 52 5.450 -13.065 8.207 1.00 0.00 C ATOM 761 OE1 GLU A 52 4.540 -13.919 8.279 1.00 0.00 O ATOM 762 OE2 GLU A 52 6.510 -13.063 8.870 1.00 0.00 O ATOM 0 H GLU A 52 5.595 -10.191 4.852 1.00 0.00 H new ATOM 0 HA GLU A 52 6.928 -12.758 5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.008 -11.945 5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.663 -13.511 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.156 -11.315 7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.453 -11.262 7.568 1.00 0.00 H new ATOM 769 N GLU A 53 6.090 -12.065 2.444 1.00 0.00 N ATOM 770 CA GLU A 53 5.842 -12.496 1.079 1.00 0.00 C ATOM 771 C GLU A 53 4.418 -13.040 0.943 1.00 0.00 C ATOM 772 O GLU A 53 4.158 -13.908 0.112 1.00 0.00 O ATOM 773 CB GLU A 53 6.872 -13.539 0.638 1.00 0.00 C ATOM 774 CG GLU A 53 7.954 -12.905 -0.238 1.00 0.00 C ATOM 775 CD GLU A 53 9.351 -13.229 0.295 1.00 0.00 C ATOM 776 OE1 GLU A 53 9.725 -14.419 0.220 1.00 0.00 O ATOM 777 OE2 GLU A 53 10.013 -12.279 0.766 1.00 0.00 O ATOM 0 H GLU A 53 6.548 -11.157 2.529 1.00 0.00 H new ATOM 0 HA GLU A 53 5.943 -11.632 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.331 -13.996 1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.374 -14.337 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.858 -13.269 -1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.814 -11.824 -0.269 1.00 0.00 H new ATOM 784 N ARG A 54 3.534 -12.506 1.773 1.00 0.00 N ATOM 785 CA ARG A 54 2.143 -12.927 1.756 1.00 0.00 C ATOM 786 C ARG A 54 1.327 -12.027 0.826 1.00 0.00 C ATOM 787 O ARG A 54 0.112 -11.914 0.975 1.00 0.00 O ATOM 788 CB ARG A 54 1.537 -12.882 3.160 1.00 0.00 C ATOM 789 CG ARG A 54 2.166 -13.944 4.064 1.00 0.00 C ATOM 790 CD ARG A 54 1.130 -14.528 5.027 1.00 0.00 C ATOM 791 NE ARG A 54 0.172 -15.378 4.286 1.00 0.00 N ATOM 792 CZ ARG A 54 -0.844 -16.039 4.857 1.00 0.00 C ATOM 793 NH1 ARG A 54 -1.040 -15.952 6.180 1.00 0.00 N ATOM 794 NH2 ARG A 54 -1.663 -16.788 4.106 1.00 0.00 N ATOM 0 H ARG A 54 3.754 -11.786 2.461 1.00 0.00 H new ATOM 0 HA ARG A 54 2.112 -13.954 1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.689 -11.894 3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.460 -13.042 3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.590 -14.741 3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.987 -13.505 4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.629 -15.115 5.798 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.598 -13.723 5.534 1.00 0.00 H new ATOM 0 HE ARG A 54 0.293 -15.466 3.277 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.416 -15.383 6.752 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.813 -16.455 6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.513 -16.855 3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.436 -17.291 4.541 1.00 0.00 H new ATOM 808 N LEU A 55 2.029 -11.409 -0.112 1.00 0.00 N ATOM 809 CA LEU A 55 1.385 -10.522 -1.066 1.00 0.00 C ATOM 810 C LEU A 55 0.276 -11.283 -1.795 1.00 0.00 C ATOM 811 O LEU A 55 0.518 -12.346 -2.364 1.00 0.00 O ATOM 812 CB LEU A 55 2.422 -9.899 -2.003 1.00 0.00 C ATOM 813 CG LEU A 55 3.159 -8.671 -1.466 1.00 0.00 C ATOM 814 CD1 LEU A 55 4.144 -8.127 -2.503 1.00 0.00 C ATOM 815 CD2 LEU A 55 2.172 -7.601 -0.996 1.00 0.00 C ATOM 0 H LEU A 55 3.037 -11.505 -0.232 1.00 0.00 H new ATOM 0 HA LEU A 55 0.913 -9.686 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.160 -10.661 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.923 -9.621 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 55 3.742 -8.975 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.655 -7.254 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.877 -8.896 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.602 -7.843 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.722 -6.739 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.544 -7.293 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.546 -8.007 -0.202 1.00 0.00 H new ATOM 827 N ALA A 56 -0.918 -10.709 -1.753 1.00 0.00 N ATOM 828 CA ALA A 56 -2.065 -11.320 -2.402 1.00 0.00 C ATOM 829 C ALA A 56 -1.709 -11.651 -3.853 1.00 0.00 C ATOM 830 O ALA A 56 -0.814 -11.037 -4.431 1.00 0.00 O ATOM 831 CB ALA A 56 -3.270 -10.383 -2.297 1.00 0.00 C ATOM 0 H ALA A 56 -1.115 -9.827 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.333 -12.254 -1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.131 -10.841 -2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.500 -10.203 -1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.038 -9.436 -2.785 1.00 0.00 H new ATOM 837 N PRO A 57 -2.447 -12.646 -4.413 1.00 0.00 N ATOM 838 CA PRO A 57 -2.218 -13.066 -5.785 1.00 0.00 C ATOM 839 C PRO A 57 -2.783 -12.043 -6.773 1.00 0.00 C ATOM 840 O PRO A 57 -2.575 -12.160 -7.980 1.00 0.00 O ATOM 841 CB PRO A 57 -2.882 -14.429 -5.896 1.00 0.00 C ATOM 842 CG PRO A 57 -3.852 -14.515 -4.729 1.00 0.00 C ATOM 843 CD PRO A 57 -3.515 -13.396 -3.758 1.00 0.00 C ATOM 0 HA PRO A 57 -1.159 -13.133 -6.033 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.405 -14.533 -6.847 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.143 -15.229 -5.850 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.880 -14.419 -5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.772 -15.484 -4.237 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.382 -12.764 -3.566 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.189 -13.791 -2.796 1.00 0.00 H new ATOM 851 N THR A 58 -3.486 -11.064 -6.224 1.00 0.00 N ATOM 852 CA THR A 58 -4.083 -10.022 -7.042 1.00 0.00 C ATOM 853 C THR A 58 -3.161 -8.802 -7.108 1.00 0.00 C ATOM 854 O THR A 58 -3.159 -8.075 -8.100 1.00 0.00 O ATOM 855 CB THR A 58 -5.467 -9.707 -6.471 1.00 0.00 C ATOM 856 OG1 THR A 58 -6.246 -10.854 -6.797 1.00 0.00 O ATOM 857 CG2 THR A 58 -6.160 -8.562 -7.213 1.00 0.00 C ATOM 0 H THR A 58 -3.656 -10.970 -5.223 1.00 0.00 H new ATOM 0 HA THR A 58 -4.208 -10.352 -8.073 1.00 0.00 H new ATOM 0 HB THR A 58 -5.375 -9.452 -5.415 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.159 -10.735 -6.462 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.138 -8.379 -6.768 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.553 -7.660 -7.138 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.283 -8.830 -8.262 1.00 0.00 H new ATOM 865 N LEU A 59 -2.400 -8.617 -6.039 1.00 0.00 N ATOM 866 CA LEU A 59 -1.476 -7.499 -5.963 1.00 0.00 C ATOM 867 C LEU A 59 -0.098 -7.948 -6.452 1.00 0.00 C ATOM 868 O LEU A 59 0.540 -7.255 -7.243 1.00 0.00 O ATOM 869 CB LEU A 59 -1.465 -6.907 -4.552 1.00 0.00 C ATOM 870 CG LEU A 59 -2.830 -6.760 -3.876 1.00 0.00 C ATOM 871 CD1 LEU A 59 -2.675 -6.531 -2.371 1.00 0.00 C ATOM 872 CD2 LEU A 59 -3.655 -5.657 -4.542 1.00 0.00 C ATOM 0 H LEU A 59 -2.405 -9.223 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.801 -6.692 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.835 -7.534 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.995 -5.924 -4.595 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.377 -7.694 -4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.660 -6.430 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.154 -7.379 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.100 -5.621 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.620 -5.573 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.123 -4.709 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.810 -5.903 -5.593 1.00 0.00 H new ATOM 884 N SER A 60 0.321 -9.104 -5.961 1.00 0.00 N ATOM 885 CA SER A 60 1.613 -9.654 -6.338 1.00 0.00 C ATOM 886 C SER A 60 1.714 -9.755 -7.861 1.00 0.00 C ATOM 887 O SER A 60 2.812 -9.812 -8.412 1.00 0.00 O ATOM 888 CB SER A 60 1.835 -11.027 -5.700 1.00 0.00 C ATOM 889 OG SER A 60 3.218 -11.363 -5.624 1.00 0.00 O ATOM 0 H SER A 60 -0.211 -9.676 -5.305 1.00 0.00 H new ATOM 0 HA SER A 60 2.390 -8.983 -5.972 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.404 -11.035 -4.699 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.309 -11.785 -6.280 1.00 0.00 H new ATOM 0 HG SER A 60 3.318 -12.245 -5.210 1.00 0.00 H new ATOM 895 N GLN A 61 0.553 -9.773 -8.500 1.00 0.00 N ATOM 896 CA GLN A 61 0.497 -9.866 -9.949 1.00 0.00 C ATOM 897 C GLN A 61 0.483 -8.468 -10.570 1.00 0.00 C ATOM 898 O GLN A 61 0.888 -8.290 -11.717 1.00 0.00 O ATOM 899 CB GLN A 61 -0.718 -10.679 -10.399 1.00 0.00 C ATOM 900 CG GLN A 61 -2.017 -10.052 -9.888 1.00 0.00 C ATOM 901 CD GLN A 61 -3.235 -10.687 -10.563 1.00 0.00 C ATOM 902 OE1 GLN A 61 -3.875 -9.875 -11.399 1.00 0.00 O flip ATOM 903 NE2 GLN A 61 -3.571 -11.839 -10.339 1.00 0.00 N flip ATOM 0 H GLN A 61 -0.356 -9.725 -8.040 1.00 0.00 H new ATOM 0 HA GLN A 61 1.390 -10.387 -10.296 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.740 -10.734 -11.487 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.633 -11.701 -10.030 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.087 -10.181 -8.808 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.008 -8.979 -10.081 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.034 -12.409 -9.685 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.388 -12.232 -10.806 1.00 0.00 H new ATOM 912 N LEU A 62 0.011 -7.511 -9.784 1.00 0.00 N ATOM 913 CA LEU A 62 -0.062 -6.134 -10.243 1.00 0.00 C ATOM 914 C LEU A 62 1.349 -5.631 -10.557 1.00 0.00 C ATOM 915 O LEU A 62 2.335 -6.279 -10.210 1.00 0.00 O ATOM 916 CB LEU A 62 -0.811 -5.270 -9.226 1.00 0.00 C ATOM 917 CG LEU A 62 -2.330 -5.202 -9.394 1.00 0.00 C ATOM 918 CD1 LEU A 62 -2.971 -4.401 -8.259 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.705 -4.648 -10.770 1.00 0.00 C ATOM 0 H LEU A 62 -0.324 -7.662 -8.833 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.637 -6.069 -11.167 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.592 -5.648 -8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.414 -4.256 -9.278 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.726 -6.216 -9.337 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.051 -4.368 -8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.746 -4.878 -7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.573 -3.386 -8.260 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.790 -4.610 -10.864 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.296 -3.644 -10.882 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.296 -5.295 -11.546 1.00 0.00 H new ATOM 931 N ASP A 63 1.399 -4.480 -11.211 1.00 0.00 N ATOM 932 CA ASP A 63 2.673 -3.882 -11.577 1.00 0.00 C ATOM 933 C ASP A 63 3.375 -3.378 -10.314 1.00 0.00 C ATOM 934 O ASP A 63 2.998 -2.348 -9.759 1.00 0.00 O ATOM 935 CB ASP A 63 2.472 -2.690 -12.514 1.00 0.00 C ATOM 936 CG ASP A 63 3.353 -2.696 -13.765 1.00 0.00 C ATOM 937 OD1 ASP A 63 4.472 -3.246 -13.669 1.00 0.00 O ATOM 938 OD2 ASP A 63 2.888 -2.151 -14.789 1.00 0.00 O ATOM 0 H ASP A 63 0.579 -3.945 -11.497 1.00 0.00 H new ATOM 0 HA ASP A 63 3.270 -4.641 -12.082 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.427 -2.662 -12.824 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.664 -1.773 -11.957 1.00 0.00 H new ATOM 943 N ARG A 64 4.385 -4.128 -9.899 1.00 0.00 N ATOM 944 CA ARG A 64 5.144 -3.771 -8.712 1.00 0.00 C ATOM 945 C ARG A 64 5.461 -2.274 -8.716 1.00 0.00 C ATOM 946 O ARG A 64 5.543 -1.650 -7.659 1.00 0.00 O ATOM 947 CB ARG A 64 6.452 -4.561 -8.636 1.00 0.00 C ATOM 948 CG ARG A 64 6.185 -6.033 -8.317 1.00 0.00 C ATOM 949 CD ARG A 64 7.102 -6.527 -7.196 1.00 0.00 C ATOM 950 NE ARG A 64 8.467 -6.754 -7.722 1.00 0.00 N ATOM 951 CZ ARG A 64 9.561 -6.853 -6.955 1.00 0.00 C ATOM 952 NH1 ARG A 64 9.457 -6.746 -5.624 1.00 0.00 N ATOM 953 NH2 ARG A 64 10.759 -7.060 -7.519 1.00 0.00 N ATOM 0 H ARG A 64 4.696 -4.981 -10.363 1.00 0.00 H new ATOM 0 HA ARG A 64 4.534 -4.015 -7.842 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.985 -4.481 -9.584 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.097 -4.130 -7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.143 -6.162 -8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.341 -6.636 -9.211 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.131 -5.794 -6.389 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.708 -7.451 -6.773 1.00 0.00 H new ATOM 0 HE ARG A 64 8.582 -6.840 -8.732 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.545 -6.589 -5.195 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.290 -6.821 -5.040 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.838 -7.142 -8.533 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.592 -7.135 -6.935 1.00 0.00 H new ATOM 967 N ASN A 65 5.630 -1.740 -9.917 1.00 0.00 N ATOM 968 CA ASN A 65 5.936 -0.328 -10.072 1.00 0.00 C ATOM 969 C ASN A 65 4.733 0.384 -10.695 1.00 0.00 C ATOM 970 O ASN A 65 4.890 1.182 -11.618 1.00 0.00 O ATOM 971 CB ASN A 65 7.138 -0.123 -10.997 1.00 0.00 C ATOM 972 CG ASN A 65 8.361 -0.886 -10.484 1.00 0.00 C ATOM 973 OD1 ASN A 65 8.756 -0.777 -9.335 1.00 0.00 O ATOM 974 ND2 ASN A 65 8.935 -1.663 -11.398 1.00 0.00 N ATOM 0 H ASN A 65 5.561 -2.260 -10.792 1.00 0.00 H new ATOM 0 HA ASN A 65 6.166 0.078 -9.087 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.889 -0.462 -12.003 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.371 0.940 -11.067 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.758 -2.214 -11.155 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.552 -1.708 -12.342 1.00 0.00 H new ATOM 981 N LEU A 66 3.561 0.070 -10.164 1.00 0.00 N ATOM 982 CA LEU A 66 2.332 0.671 -10.656 1.00 0.00 C ATOM 983 C LEU A 66 2.285 2.141 -10.237 1.00 0.00 C ATOM 984 O LEU A 66 2.677 2.486 -9.124 1.00 0.00 O ATOM 985 CB LEU A 66 1.118 -0.139 -10.196 1.00 0.00 C ATOM 986 CG LEU A 66 -0.236 0.308 -10.751 1.00 0.00 C ATOM 987 CD1 LEU A 66 -0.717 -0.640 -11.851 1.00 0.00 C ATOM 988 CD2 LEU A 66 -1.266 0.455 -9.629 1.00 0.00 C ATOM 0 H LEU A 66 3.436 -0.592 -9.398 1.00 0.00 H new ATOM 0 HA LEU A 66 2.307 0.649 -11.745 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.276 -1.181 -10.473 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.072 -0.102 -9.108 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.112 1.291 -11.205 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.681 -0.300 -12.228 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.008 -0.651 -12.665 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.821 -1.646 -11.445 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.220 0.774 -10.050 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.394 -0.503 -9.125 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.919 1.199 -8.912 1.00 0.00 H new ATOM 1000 N ASP A 67 1.801 2.969 -11.152 1.00 0.00 N ATOM 1001 CA ASP A 67 1.697 4.394 -10.892 1.00 0.00 C ATOM 1002 C ASP A 67 0.252 4.737 -10.522 1.00 0.00 C ATOM 1003 O ASP A 67 -0.645 3.910 -10.676 1.00 0.00 O ATOM 1004 CB ASP A 67 2.074 5.210 -12.130 1.00 0.00 C ATOM 1005 CG ASP A 67 1.926 6.725 -11.977 1.00 0.00 C ATOM 1006 OD1 ASP A 67 0.795 7.210 -12.195 1.00 0.00 O ATOM 1007 OD2 ASP A 67 2.948 7.364 -11.645 1.00 0.00 O ATOM 0 H ASP A 67 1.477 2.679 -12.075 1.00 0.00 H new ATOM 0 HA ASP A 67 2.380 4.638 -10.078 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.108 4.986 -12.393 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.455 4.882 -12.965 1.00 0.00 H new