USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=8 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 Set 1.1: A 39 TYR OH : rot 11:sc= -1.4 USER MOD Set 1.2: A 49 ASN : amide:sc= -5.87! C(o=-7.3!,f=-7.6!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 74:sc= 0.323 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.752 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.013) USER MOD Single : A 41 TYR OH : rot 147:sc= 0.47 USER MOD Single : A 45 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.9) USER MOD Single : A 48 ASN : amide:sc=-0.00153 X(o=-0.0015,f=-0.024) 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 : amide:sc= -0.432 K(o=-0.43,f=-1.1) USER MOD Single : A 65 ASN : amide:sc= -0.698 K(o=-0.7,f=0) USER MOD ----------------------------------------------------------------- ATOM 132 N LEU A 13 -4.652 9.592 3.433 1.00 0.00 N ATOM 133 CA LEU A 13 -4.496 8.523 2.462 1.00 0.00 C ATOM 134 C LEU A 13 -3.054 8.512 1.949 1.00 0.00 C ATOM 135 O LEU A 13 -2.372 7.491 2.025 1.00 0.00 O ATOM 136 CB LEU A 13 -5.542 8.649 1.353 1.00 0.00 C ATOM 137 CG LEU A 13 -5.756 7.406 0.487 1.00 0.00 C ATOM 138 CD1 LEU A 13 -7.127 7.440 -0.192 1.00 0.00 C ATOM 139 CD2 LEU A 13 -4.619 7.240 -0.524 1.00 0.00 C ATOM 0 HA LEU A 13 -4.676 7.555 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.495 8.918 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.255 9.475 0.703 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.740 6.530 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.254 6.545 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.908 7.475 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.197 8.324 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.795 6.349 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.578 8.115 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.672 7.137 0.007 1.00 0.00 H new ATOM 151 N ASP A 14 -2.634 9.659 1.437 1.00 0.00 N ATOM 152 CA ASP A 14 -1.286 9.795 0.911 1.00 0.00 C ATOM 153 C ASP A 14 -0.278 9.460 2.012 1.00 0.00 C ATOM 154 O ASP A 14 0.777 8.889 1.740 1.00 0.00 O ATOM 155 CB ASP A 14 -1.018 11.227 0.444 1.00 0.00 C ATOM 156 CG ASP A 14 0.027 11.361 -0.665 1.00 0.00 C ATOM 157 OD1 ASP A 14 0.896 10.465 -0.738 1.00 0.00 O ATOM 158 OD2 ASP A 14 -0.067 12.356 -1.416 1.00 0.00 O ATOM 0 H ASP A 14 -3.203 10.503 1.375 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.184 9.115 0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.955 11.660 0.094 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.694 11.818 1.301 1.00 0.00 H new ATOM 163 N SER A 15 -0.638 9.829 3.232 1.00 0.00 N ATOM 164 CA SER A 15 0.222 9.575 4.375 1.00 0.00 C ATOM 165 C SER A 15 0.581 8.089 4.440 1.00 0.00 C ATOM 166 O SER A 15 1.755 7.727 4.370 1.00 0.00 O ATOM 167 CB SER A 15 -0.448 10.016 5.678 1.00 0.00 C ATOM 168 OG SER A 15 0.318 11.002 6.366 1.00 0.00 O ATOM 0 H SER A 15 -1.514 10.302 3.454 1.00 0.00 H new ATOM 0 HA SER A 15 1.135 10.158 4.252 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.439 10.414 5.459 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.588 9.150 6.325 1.00 0.00 H new ATOM 0 HG SER A 15 -0.144 11.258 7.191 1.00 0.00 H new ATOM 174 N LEU A 16 -0.450 7.269 4.574 1.00 0.00 N ATOM 175 CA LEU A 16 -0.258 5.831 4.648 1.00 0.00 C ATOM 176 C LEU A 16 0.733 5.396 3.567 1.00 0.00 C ATOM 177 O LEU A 16 1.699 4.691 3.854 1.00 0.00 O ATOM 178 CB LEU A 16 -1.604 5.106 4.576 1.00 0.00 C ATOM 179 CG LEU A 16 -2.628 5.483 5.649 1.00 0.00 C ATOM 180 CD1 LEU A 16 -4.015 4.944 5.297 1.00 0.00 C ATOM 181 CD2 LEU A 16 -2.167 5.021 7.033 1.00 0.00 C ATOM 0 H LEU A 16 -1.422 7.573 4.633 1.00 0.00 H new ATOM 0 HA LEU A 16 0.176 5.554 5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.045 5.297 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.420 4.033 4.638 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.704 6.570 5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.723 5.226 6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.337 5.364 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.974 3.858 5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.912 5.301 7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.044 3.938 7.033 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.216 5.494 7.276 1.00 0.00 H new ATOM 193 N ILE A 17 0.459 5.835 2.347 1.00 0.00 N ATOM 194 CA ILE A 17 1.315 5.500 1.222 1.00 0.00 C ATOM 195 C ILE A 17 2.754 5.915 1.539 1.00 0.00 C ATOM 196 O ILE A 17 3.628 5.064 1.696 1.00 0.00 O ATOM 197 CB ILE A 17 0.769 6.114 -0.068 1.00 0.00 C ATOM 198 CG1 ILE A 17 -0.643 5.602 -0.364 1.00 0.00 C ATOM 199 CG2 ILE A 17 1.724 5.871 -1.239 1.00 0.00 C ATOM 200 CD1 ILE A 17 -1.274 6.376 -1.523 1.00 0.00 C ATOM 0 H ILE A 17 -0.344 6.420 2.113 1.00 0.00 H new ATOM 0 HA ILE A 17 1.322 4.423 1.057 1.00 0.00 H new ATOM 0 HB ILE A 17 0.698 7.193 0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.605 4.540 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.264 5.702 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.312 6.318 -2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.691 6.323 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.850 4.799 -1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.277 5.993 -1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.332 7.433 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.663 6.254 -2.417 1.00 0.00 H new ATOM 212 N SER A 18 2.953 7.222 1.625 1.00 0.00 N ATOM 213 CA SER A 18 4.270 7.760 1.921 1.00 0.00 C ATOM 214 C SER A 18 4.965 6.893 2.973 1.00 0.00 C ATOM 215 O SER A 18 6.098 6.457 2.774 1.00 0.00 O ATOM 216 CB SER A 18 4.178 9.208 2.403 1.00 0.00 C ATOM 217 OG SER A 18 3.555 10.053 1.439 1.00 0.00 O ATOM 0 H SER A 18 2.225 7.924 1.495 1.00 0.00 H new ATOM 0 HA SER A 18 4.858 7.748 1.003 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.614 9.245 3.335 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.178 9.582 2.620 1.00 0.00 H new ATOM 0 HG SER A 18 2.592 9.874 1.421 1.00 0.00 H new ATOM 223 N GLN A 19 4.257 6.669 4.070 1.00 0.00 N ATOM 224 CA GLN A 19 4.792 5.862 5.154 1.00 0.00 C ATOM 225 C GLN A 19 5.407 4.574 4.603 1.00 0.00 C ATOM 226 O GLN A 19 6.576 4.284 4.851 1.00 0.00 O ATOM 227 CB GLN A 19 3.712 5.554 6.192 1.00 0.00 C ATOM 228 CG GLN A 19 3.349 6.805 6.994 1.00 0.00 C ATOM 229 CD GLN A 19 3.509 6.560 8.496 1.00 0.00 C ATOM 230 OE1 GLN A 19 4.390 7.095 9.148 1.00 0.00 O ATOM 231 NE2 GLN A 19 2.610 5.723 9.006 1.00 0.00 N ATOM 0 H GLN A 19 3.318 7.032 4.232 1.00 0.00 H new ATOM 0 HA GLN A 19 5.576 6.431 5.652 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.823 5.167 5.693 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.064 4.774 6.867 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.986 7.635 6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.321 7.095 6.777 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.898 5.310 8.403 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.632 5.494 10.000 1.00 0.00 H new ATOM 240 N VAL A 20 4.591 3.834 3.866 1.00 0.00 N ATOM 241 CA VAL A 20 5.040 2.583 3.279 1.00 0.00 C ATOM 242 C VAL A 20 6.109 2.875 2.225 1.00 0.00 C ATOM 243 O VAL A 20 7.214 2.337 2.290 1.00 0.00 O ATOM 244 CB VAL A 20 3.844 1.809 2.719 1.00 0.00 C ATOM 245 CG1 VAL A 20 4.305 0.561 1.964 1.00 0.00 C ATOM 246 CG2 VAL A 20 2.858 1.445 3.830 1.00 0.00 C ATOM 0 H VAL A 20 3.622 4.077 3.662 1.00 0.00 H new ATOM 0 HA VAL A 20 5.496 1.947 4.037 1.00 0.00 H new ATOM 0 HB VAL A 20 3.326 2.457 2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.436 0.029 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.950 0.854 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.857 -0.091 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.018 0.896 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.359 0.824 4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.493 2.355 4.305 1.00 0.00 H new ATOM 256 N LYS A 21 5.745 3.726 1.277 1.00 0.00 N ATOM 257 CA LYS A 21 6.659 4.096 0.211 1.00 0.00 C ATOM 258 C LYS A 21 8.043 4.369 0.803 1.00 0.00 C ATOM 259 O LYS A 21 9.033 3.776 0.377 1.00 0.00 O ATOM 260 CB LYS A 21 6.095 5.266 -0.598 1.00 0.00 C ATOM 261 CG LYS A 21 6.298 5.045 -2.098 1.00 0.00 C ATOM 262 CD LYS A 21 7.165 6.151 -2.703 1.00 0.00 C ATOM 263 CE LYS A 21 7.684 5.747 -4.084 1.00 0.00 C ATOM 264 NZ LYS A 21 7.914 6.945 -4.922 1.00 0.00 N ATOM 0 H LYS A 21 4.828 4.170 1.225 1.00 0.00 H new ATOM 0 HA LYS A 21 6.770 3.274 -0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.032 5.381 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.584 6.192 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.769 4.076 -2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.331 5.021 -2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.585 7.070 -2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.006 6.362 -2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.612 5.185 -3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.965 5.088 -4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.266 6.653 -5.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.021 7.466 -5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.617 7.559 -4.464 1.00 0.00 H new ATOM 278 N ASP A 22 8.068 5.267 1.777 1.00 0.00 N ATOM 279 CA ASP A 22 9.314 5.626 2.433 1.00 0.00 C ATOM 280 C ASP A 22 10.109 4.355 2.738 1.00 0.00 C ATOM 281 O ASP A 22 11.337 4.355 2.669 1.00 0.00 O ATOM 282 CB ASP A 22 9.052 6.349 3.755 1.00 0.00 C ATOM 283 CG ASP A 22 8.921 7.869 3.646 1.00 0.00 C ATOM 284 OD1 ASP A 22 7.844 8.314 3.192 1.00 0.00 O ATOM 285 OD2 ASP A 22 9.899 8.552 4.019 1.00 0.00 O ATOM 0 H ASP A 22 7.245 5.757 2.128 1.00 0.00 H new ATOM 0 HA ASP A 22 9.869 6.285 1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.137 5.951 4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.863 6.118 4.445 1.00 0.00 H new ATOM 290 N LEU A 23 9.376 3.302 3.069 1.00 0.00 N ATOM 291 CA LEU A 23 9.998 2.027 3.385 1.00 0.00 C ATOM 292 C LEU A 23 10.273 1.263 2.088 1.00 0.00 C ATOM 293 O LEU A 23 11.293 0.587 1.967 1.00 0.00 O ATOM 294 CB LEU A 23 9.143 1.248 4.388 1.00 0.00 C ATOM 295 CG LEU A 23 9.170 1.758 5.830 1.00 0.00 C ATOM 296 CD1 LEU A 23 8.278 0.902 6.731 1.00 0.00 C ATOM 297 CD2 LEU A 23 10.604 1.842 6.356 1.00 0.00 C ATOM 0 H LEU A 23 8.358 3.305 3.125 1.00 0.00 H new ATOM 0 HA LEU A 23 10.960 2.183 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.110 1.257 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.471 0.209 4.385 1.00 0.00 H new ATOM 0 HG LEU A 23 8.764 2.769 5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.315 1.286 7.750 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.251 0.938 6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.631 -0.129 6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.594 2.207 7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.061 0.853 6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.181 2.526 5.733 1.00 0.00 H new ATOM 309 N LEU A 24 9.345 1.396 1.152 1.00 0.00 N ATOM 310 CA LEU A 24 9.475 0.727 -0.131 1.00 0.00 C ATOM 311 C LEU A 24 9.305 1.752 -1.255 1.00 0.00 C ATOM 312 O LEU A 24 8.275 1.776 -1.927 1.00 0.00 O ATOM 313 CB LEU A 24 8.503 -0.451 -0.221 1.00 0.00 C ATOM 314 CG LEU A 24 8.693 -1.558 0.818 1.00 0.00 C ATOM 315 CD1 LEU A 24 7.568 -2.592 0.730 1.00 0.00 C ATOM 316 CD2 LEU A 24 10.075 -2.203 0.686 1.00 0.00 C ATOM 0 H LEU A 24 8.500 1.957 1.257 1.00 0.00 H new ATOM 0 HA LEU A 24 10.471 0.298 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.487 -0.066 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.590 -0.893 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 24 8.640 -1.108 1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.727 -3.368 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.610 -2.104 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.564 -3.042 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.184 -2.986 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.181 -2.636 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.845 -1.447 0.837 1.00 0.00 H new ATOM 328 N PRO A 25 10.359 2.593 -1.429 1.00 0.00 N ATOM 329 CA PRO A 25 10.336 3.617 -2.460 1.00 0.00 C ATOM 330 C PRO A 25 10.552 3.005 -3.845 1.00 0.00 C ATOM 331 O PRO A 25 10.150 3.584 -4.853 1.00 0.00 O ATOM 332 CB PRO A 25 11.431 4.596 -2.066 1.00 0.00 C ATOM 333 CG PRO A 25 12.330 3.847 -1.096 1.00 0.00 C ATOM 334 CD PRO A 25 11.595 2.593 -0.652 1.00 0.00 C ATOM 0 HA PRO A 25 9.373 4.123 -2.529 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.991 4.928 -2.940 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.010 5.487 -1.600 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.274 3.587 -1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.570 4.473 -0.237 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.185 1.698 -0.847 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.390 2.612 0.418 1.00 0.00 H new ATOM 342 N ASP A 26 11.185 1.841 -3.851 1.00 0.00 N ATOM 343 CA ASP A 26 11.459 1.144 -5.096 1.00 0.00 C ATOM 344 C ASP A 26 10.145 0.908 -5.843 1.00 0.00 C ATOM 345 O ASP A 26 10.035 1.221 -7.027 1.00 0.00 O ATOM 346 CB ASP A 26 12.105 -0.218 -4.834 1.00 0.00 C ATOM 347 CG ASP A 26 13.626 -0.255 -5.001 1.00 0.00 C ATOM 348 OD1 ASP A 26 14.117 0.474 -5.889 1.00 0.00 O ATOM 349 OD2 ASP A 26 14.262 -1.012 -4.237 1.00 0.00 O ATOM 0 H ASP A 26 11.516 1.363 -3.013 1.00 0.00 H new ATOM 0 HA ASP A 26 12.140 1.759 -5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.858 -0.531 -3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.662 -0.949 -5.510 1.00 0.00 H new ATOM 354 N LEU A 27 9.181 0.357 -5.120 1.00 0.00 N ATOM 355 CA LEU A 27 7.878 0.075 -5.699 1.00 0.00 C ATOM 356 C LEU A 27 7.203 1.391 -6.089 1.00 0.00 C ATOM 357 O LEU A 27 7.632 2.463 -5.664 1.00 0.00 O ATOM 358 CB LEU A 27 7.044 -0.786 -4.749 1.00 0.00 C ATOM 359 CG LEU A 27 7.611 -2.170 -4.426 1.00 0.00 C ATOM 360 CD1 LEU A 27 6.913 -2.777 -3.207 1.00 0.00 C ATOM 361 CD2 LEU A 27 7.539 -3.091 -5.645 1.00 0.00 C ATOM 0 H LEU A 27 9.276 0.098 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 27 7.986 -0.512 -6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.916 -0.241 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.052 -0.914 -5.182 1.00 0.00 H new ATOM 0 HG LEU A 27 8.665 -2.056 -4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.334 -3.760 -2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.060 -2.129 -2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.846 -2.875 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.948 -4.068 -5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.500 -3.203 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.117 -2.659 -6.462 1.00 0.00 H new ATOM 373 N GLY A 28 6.158 1.267 -6.894 1.00 0.00 N ATOM 374 CA GLY A 28 5.419 2.434 -7.346 1.00 0.00 C ATOM 375 C GLY A 28 4.174 2.661 -6.487 1.00 0.00 C ATOM 376 O GLY A 28 3.499 1.708 -6.100 1.00 0.00 O ATOM 0 H GLY A 28 5.805 0.377 -7.245 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.060 3.314 -7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.127 2.303 -8.388 1.00 0.00 H new ATOM 380 N GLU A 29 3.906 3.930 -6.213 1.00 0.00 N ATOM 381 CA GLU A 29 2.754 4.294 -5.406 1.00 0.00 C ATOM 382 C GLU A 29 1.518 3.517 -5.864 1.00 0.00 C ATOM 383 O GLU A 29 0.843 2.884 -5.054 1.00 0.00 O ATOM 384 CB GLU A 29 2.504 5.803 -5.458 1.00 0.00 C ATOM 385 CG GLU A 29 3.106 6.501 -4.238 1.00 0.00 C ATOM 386 CD GLU A 29 2.560 7.923 -4.095 1.00 0.00 C ATOM 387 OE1 GLU A 29 1.358 8.040 -3.773 1.00 0.00 O ATOM 388 OE2 GLU A 29 3.358 8.862 -4.310 1.00 0.00 O ATOM 0 H GLU A 29 4.467 4.718 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 29 2.962 4.029 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.938 6.216 -6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.432 5.996 -5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.880 5.929 -3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.192 6.532 -4.331 1.00 0.00 H new ATOM 395 N GLY A 30 1.260 3.591 -7.162 1.00 0.00 N ATOM 396 CA GLY A 30 0.117 2.902 -7.737 1.00 0.00 C ATOM 397 C GLY A 30 -0.066 1.521 -7.105 1.00 0.00 C ATOM 398 O GLY A 30 -1.183 1.129 -6.772 1.00 0.00 O ATOM 0 H GLY A 30 1.822 4.117 -7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.784 3.497 -7.587 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.254 2.798 -8.813 1.00 0.00 H new ATOM 402 N PHE A 31 1.049 0.820 -6.960 1.00 0.00 N ATOM 403 CA PHE A 31 1.027 -0.510 -6.374 1.00 0.00 C ATOM 404 C PHE A 31 0.939 -0.435 -4.849 1.00 0.00 C ATOM 405 O PHE A 31 0.351 -1.309 -4.214 1.00 0.00 O ATOM 406 CB PHE A 31 2.338 -1.193 -6.765 1.00 0.00 C ATOM 407 CG PHE A 31 2.621 -2.484 -5.994 1.00 0.00 C ATOM 408 CD1 PHE A 31 2.151 -3.672 -6.461 1.00 0.00 C ATOM 409 CD2 PHE A 31 3.343 -2.444 -4.842 1.00 0.00 C ATOM 410 CE1 PHE A 31 2.414 -4.870 -5.746 1.00 0.00 C ATOM 411 CE2 PHE A 31 3.605 -3.642 -4.127 1.00 0.00 C ATOM 412 CZ PHE A 31 3.135 -4.830 -4.594 1.00 0.00 C ATOM 0 H PHE A 31 1.974 1.148 -7.238 1.00 0.00 H new ATOM 0 HA PHE A 31 0.159 -1.061 -6.734 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.315 -1.416 -7.832 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.161 -0.497 -6.603 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.578 -3.704 -7.376 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.717 -1.501 -4.471 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.041 -5.813 -6.117 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.178 -3.610 -3.212 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.335 -5.741 -4.050 1.00 0.00 H new ATOM 422 N ILE A 32 1.533 0.616 -4.304 1.00 0.00 N ATOM 423 CA ILE A 32 1.530 0.816 -2.865 1.00 0.00 C ATOM 424 C ILE A 32 0.114 1.169 -2.407 1.00 0.00 C ATOM 425 O ILE A 32 -0.309 0.771 -1.322 1.00 0.00 O ATOM 426 CB ILE A 32 2.582 1.853 -2.466 1.00 0.00 C ATOM 427 CG1 ILE A 32 3.980 1.414 -2.905 1.00 0.00 C ATOM 428 CG2 ILE A 32 2.518 2.149 -0.966 1.00 0.00 C ATOM 429 CD1 ILE A 32 4.983 2.561 -2.771 1.00 0.00 C ATOM 0 H ILE A 32 2.020 1.339 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 32 1.812 -0.103 -2.352 1.00 0.00 H new ATOM 0 HB ILE A 32 2.359 2.784 -2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.306 0.568 -2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.949 1.072 -3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.276 2.889 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.531 2.537 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.701 1.232 -0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.969 2.222 -3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.667 3.396 -3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.029 2.884 -1.731 1.00 0.00 H new ATOM 441 N LEU A 33 -0.581 1.912 -3.256 1.00 0.00 N ATOM 442 CA LEU A 33 -1.941 2.322 -2.952 1.00 0.00 C ATOM 443 C LEU A 33 -2.865 1.105 -3.022 1.00 0.00 C ATOM 444 O LEU A 33 -3.579 0.807 -2.066 1.00 0.00 O ATOM 445 CB LEU A 33 -2.370 3.473 -3.864 1.00 0.00 C ATOM 446 CG LEU A 33 -3.841 3.885 -3.778 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.697 3.071 -4.751 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.356 3.784 -2.340 1.00 0.00 C ATOM 0 H LEU A 33 -0.227 2.241 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.003 2.711 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.756 4.343 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.151 3.194 -4.895 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.920 4.930 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.738 3.384 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.347 3.237 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.617 2.012 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.404 4.082 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.260 2.756 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.771 4.442 -1.697 1.00 0.00 H new ATOM 460 N ALA A 34 -2.821 0.434 -4.164 1.00 0.00 N ATOM 461 CA ALA A 34 -3.645 -0.745 -4.371 1.00 0.00 C ATOM 462 C ALA A 34 -3.580 -1.633 -3.127 1.00 0.00 C ATOM 463 O ALA A 34 -4.612 -2.000 -2.567 1.00 0.00 O ATOM 464 CB ALA A 34 -3.183 -1.476 -5.633 1.00 0.00 C ATOM 0 H ALA A 34 -2.228 0.684 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.687 -0.463 -4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.801 -2.360 -5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.277 -0.812 -6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.142 -1.777 -5.519 1.00 0.00 H new ATOM 470 N CYS A 35 -2.357 -1.952 -2.730 1.00 0.00 N ATOM 471 CA CYS A 35 -2.144 -2.790 -1.562 1.00 0.00 C ATOM 472 C CYS A 35 -2.954 -2.210 -0.400 1.00 0.00 C ATOM 473 O CYS A 35 -3.869 -2.856 0.107 1.00 0.00 O ATOM 474 CB CYS A 35 -0.659 -2.912 -1.217 1.00 0.00 C ATOM 475 SG CYS A 35 0.054 -4.387 -2.034 1.00 0.00 S ATOM 0 H CYS A 35 -1.503 -1.645 -3.196 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.486 -3.804 -1.772 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.128 -2.016 -1.538 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.533 -2.988 -0.137 1.00 0.00 H new ATOM 0 HG CYS A 35 1.316 -4.480 -1.736 1.00 0.00 H new ATOM 481 N LEU A 36 -2.588 -0.997 -0.013 1.00 0.00 N ATOM 482 CA LEU A 36 -3.269 -0.323 1.079 1.00 0.00 C ATOM 483 C LEU A 36 -4.776 -0.554 0.955 1.00 0.00 C ATOM 484 O LEU A 36 -5.387 -1.173 1.824 1.00 0.00 O ATOM 485 CB LEU A 36 -2.875 1.155 1.125 1.00 0.00 C ATOM 486 CG LEU A 36 -1.605 1.486 1.913 1.00 0.00 C ATOM 487 CD1 LEU A 36 -0.974 2.787 1.413 1.00 0.00 C ATOM 488 CD2 LEU A 36 -1.887 1.526 3.416 1.00 0.00 C ATOM 0 H LEU A 36 -1.829 -0.464 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.960 -0.742 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.747 1.508 0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.703 1.718 1.555 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.880 0.690 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.073 3.000 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.715 2.684 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.684 3.605 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.968 1.763 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.637 2.289 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.257 0.554 3.743 1.00 0.00 H new ATOM 500 N GLU A 37 -5.332 -0.043 -0.134 1.00 0.00 N ATOM 501 CA GLU A 37 -6.757 -0.186 -0.384 1.00 0.00 C ATOM 502 C GLU A 37 -7.212 -1.611 -0.061 1.00 0.00 C ATOM 503 O GLU A 37 -8.042 -1.815 0.823 1.00 0.00 O ATOM 504 CB GLU A 37 -7.100 0.186 -1.828 1.00 0.00 C ATOM 505 CG GLU A 37 -7.235 1.701 -1.987 1.00 0.00 C ATOM 506 CD GLU A 37 -8.590 2.071 -2.594 1.00 0.00 C ATOM 507 OE1 GLU A 37 -9.566 2.120 -1.814 1.00 0.00 O ATOM 508 OE2 GLU A 37 -8.619 2.296 -3.823 1.00 0.00 O ATOM 0 H GLU A 37 -4.822 0.470 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.292 0.502 0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.324 -0.186 -2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.032 -0.298 -2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.124 2.183 -1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.433 2.076 -2.623 1.00 0.00 H new ATOM 515 N TYR A 38 -6.649 -2.558 -0.796 1.00 0.00 N ATOM 516 CA TYR A 38 -6.987 -3.958 -0.599 1.00 0.00 C ATOM 517 C TYR A 38 -6.730 -4.386 0.847 1.00 0.00 C ATOM 518 O TYR A 38 -7.378 -5.300 1.353 1.00 0.00 O ATOM 519 CB TYR A 38 -6.061 -4.749 -1.525 1.00 0.00 C ATOM 520 CG TYR A 38 -6.283 -6.263 -1.481 1.00 0.00 C ATOM 521 CD1 TYR A 38 -5.858 -6.991 -0.388 1.00 0.00 C ATOM 522 CD2 TYR A 38 -6.907 -6.899 -2.534 1.00 0.00 C ATOM 523 CE1 TYR A 38 -6.067 -8.415 -0.347 1.00 0.00 C ATOM 524 CE2 TYR A 38 -7.116 -8.323 -2.493 1.00 0.00 C ATOM 525 CZ TYR A 38 -6.686 -9.011 -1.402 1.00 0.00 C ATOM 526 OH TYR A 38 -6.883 -10.356 -1.363 1.00 0.00 O ATOM 0 H TYR A 38 -5.961 -2.384 -1.529 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.041 -4.132 -0.813 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -6.203 -4.401 -2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.026 -4.536 -1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.369 -6.493 0.436 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.239 -6.329 -3.389 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.740 -8.997 0.502 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.603 -8.833 -3.311 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.337 -10.644 -2.182 1.00 0.00 H new ATOM 536 N TYR A 39 -5.781 -3.704 1.473 1.00 0.00 N ATOM 537 CA TYR A 39 -5.431 -4.001 2.851 1.00 0.00 C ATOM 538 C TYR A 39 -6.033 -2.969 3.806 1.00 0.00 C ATOM 539 O TYR A 39 -5.338 -2.440 4.672 1.00 0.00 O ATOM 540 CB TYR A 39 -3.905 -3.918 2.925 1.00 0.00 C ATOM 541 CG TYR A 39 -3.189 -5.184 2.451 1.00 0.00 C ATOM 542 CD1 TYR A 39 -3.336 -6.364 3.152 1.00 0.00 C ATOM 543 CD2 TYR A 39 -2.395 -5.146 1.322 1.00 0.00 C ATOM 544 CE1 TYR A 39 -2.662 -7.556 2.705 1.00 0.00 C ATOM 545 CE2 TYR A 39 -1.721 -6.338 0.876 1.00 0.00 C ATOM 546 CZ TYR A 39 -1.888 -7.484 1.589 1.00 0.00 C ATOM 547 OH TYR A 39 -1.251 -8.609 1.168 1.00 0.00 O ATOM 0 H TYR A 39 -5.244 -2.947 1.050 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.812 -4.980 3.141 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.568 -3.075 2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.612 -3.711 3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.956 -6.394 4.036 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.279 -4.223 0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.769 -8.486 3.244 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.097 -6.322 -0.005 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.593 -9.383 1.662 1.00 0.00 H new ATOM 557 N HIS A 40 -7.319 -2.712 3.615 1.00 0.00 N ATOM 558 CA HIS A 40 -8.022 -1.752 4.448 1.00 0.00 C ATOM 559 C HIS A 40 -7.102 -0.570 4.758 1.00 0.00 C ATOM 560 O HIS A 40 -6.920 -0.209 5.920 1.00 0.00 O ATOM 561 CB HIS A 40 -8.569 -2.425 5.709 1.00 0.00 C ATOM 562 CG HIS A 40 -9.447 -3.622 5.435 1.00 0.00 C ATOM 563 ND1 HIS A 40 -10.819 -3.603 5.614 1.00 0.00 N ATOM 564 CD2 HIS A 40 -9.135 -4.874 4.991 1.00 0.00 C ATOM 565 CE1 HIS A 40 -11.300 -4.794 5.292 1.00 0.00 C ATOM 566 NE2 HIS A 40 -10.255 -5.581 4.907 1.00 0.00 N ATOM 0 H HIS A 40 -7.892 -3.152 2.895 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.886 -1.363 3.910 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.732 -2.737 6.334 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.139 -1.693 6.281 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -8.144 -5.229 4.749 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.338 -5.090 5.328 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.323 -6.553 4.604 1.00 0.00 H new ATOM 574 N TYR A 41 -6.546 -0.001 3.699 1.00 0.00 N ATOM 575 CA TYR A 41 -5.648 1.133 3.844 1.00 0.00 C ATOM 576 C TYR A 41 -4.769 0.981 5.086 1.00 0.00 C ATOM 577 O TYR A 41 -4.720 1.875 5.929 1.00 0.00 O ATOM 578 CB TYR A 41 -6.545 2.361 4.015 1.00 0.00 C ATOM 579 CG TYR A 41 -7.138 2.885 2.706 1.00 0.00 C ATOM 580 CD1 TYR A 41 -6.315 3.446 1.751 1.00 0.00 C ATOM 581 CD2 TYR A 41 -8.497 2.798 2.480 1.00 0.00 C ATOM 582 CE1 TYR A 41 -6.873 3.940 0.519 1.00 0.00 C ATOM 583 CE2 TYR A 41 -9.055 3.292 1.248 1.00 0.00 C ATOM 584 CZ TYR A 41 -8.216 3.838 0.328 1.00 0.00 C ATOM 585 OH TYR A 41 -8.743 4.305 -0.836 1.00 0.00 O ATOM 0 H TYR A 41 -6.700 -0.303 2.737 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.989 1.214 2.980 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.358 2.112 4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.968 3.157 4.485 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.252 3.515 1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.142 2.359 3.227 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.240 4.381 -0.236 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.117 3.230 1.059 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.513 3.755 -1.091 1.00 0.00 H new ATOM 595 N ASP A 42 -4.096 -0.158 5.160 1.00 0.00 N ATOM 596 CA ASP A 42 -3.221 -0.438 6.286 1.00 0.00 C ATOM 597 C ASP A 42 -1.785 -0.598 5.782 1.00 0.00 C ATOM 598 O ASP A 42 -1.531 -1.357 4.849 1.00 0.00 O ATOM 599 CB ASP A 42 -3.623 -1.738 6.986 1.00 0.00 C ATOM 600 CG ASP A 42 -3.546 -1.700 8.514 1.00 0.00 C ATOM 601 OD1 ASP A 42 -2.407 -1.770 9.026 1.00 0.00 O ATOM 602 OD2 ASP A 42 -4.626 -1.602 9.135 1.00 0.00 O ATOM 0 H ASP A 42 -4.139 -0.898 4.459 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.301 0.391 6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.643 -1.990 6.695 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.981 -2.541 6.625 1.00 0.00 H new ATOM 607 N PRO A 43 -0.859 0.150 6.440 1.00 0.00 N ATOM 608 CA PRO A 43 0.545 0.099 6.069 1.00 0.00 C ATOM 609 C PRO A 43 1.194 -1.197 6.558 1.00 0.00 C ATOM 610 O PRO A 43 1.729 -1.966 5.761 1.00 0.00 O ATOM 611 CB PRO A 43 1.161 1.342 6.690 1.00 0.00 C ATOM 612 CG PRO A 43 0.189 1.796 7.767 1.00 0.00 C ATOM 613 CD PRO A 43 -1.123 1.061 7.551 1.00 0.00 C ATOM 0 HA PRO A 43 0.695 0.093 4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.140 1.122 7.115 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.307 2.121 5.942 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.589 1.580 8.758 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.036 2.874 7.713 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.424 0.517 8.446 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.930 1.753 7.312 1.00 0.00 H new ATOM 621 N GLU A 44 1.126 -1.400 7.865 1.00 0.00 N ATOM 622 CA GLU A 44 1.701 -2.590 8.469 1.00 0.00 C ATOM 623 C GLU A 44 1.333 -3.830 7.652 1.00 0.00 C ATOM 624 O GLU A 44 2.212 -4.569 7.210 1.00 0.00 O ATOM 625 CB GLU A 44 1.251 -2.738 9.924 1.00 0.00 C ATOM 626 CG GLU A 44 2.439 -2.619 10.881 1.00 0.00 C ATOM 627 CD GLU A 44 1.984 -2.734 12.337 1.00 0.00 C ATOM 628 OE1 GLU A 44 0.886 -2.213 12.631 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.744 -3.339 13.123 1.00 0.00 O ATOM 0 H GLU A 44 0.681 -0.760 8.523 1.00 0.00 H new ATOM 0 HA GLU A 44 2.786 -2.487 8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.512 -1.972 10.159 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.764 -3.704 10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.167 -3.400 10.661 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.940 -1.663 10.727 1.00 0.00 H new ATOM 636 N GLN A 45 0.034 -4.020 7.476 1.00 0.00 N ATOM 637 CA GLN A 45 -0.460 -5.158 6.720 1.00 0.00 C ATOM 638 C GLN A 45 0.395 -5.376 5.470 1.00 0.00 C ATOM 639 O GLN A 45 0.924 -6.466 5.259 1.00 0.00 O ATOM 640 CB GLN A 45 -1.934 -4.973 6.351 1.00 0.00 C ATOM 641 CG GLN A 45 -2.806 -4.885 7.605 1.00 0.00 C ATOM 642 CD GLN A 45 -4.278 -5.130 7.267 1.00 0.00 C ATOM 643 OE1 GLN A 45 -4.623 -5.964 6.446 1.00 0.00 O ATOM 644 NE2 GLN A 45 -5.124 -4.359 7.944 1.00 0.00 N ATOM 0 H GLN A 45 -0.692 -3.405 7.844 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.385 -6.046 7.347 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.053 -4.067 5.757 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.265 -5.806 5.731 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.470 -5.619 8.338 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.693 -3.902 8.063 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.768 -3.680 8.617 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.129 -4.446 7.790 1.00 0.00 H new ATOM 653 N VAL A 46 0.502 -4.323 4.674 1.00 0.00 N ATOM 654 CA VAL A 46 1.284 -4.386 3.451 1.00 0.00 C ATOM 655 C VAL A 46 2.720 -4.791 3.788 1.00 0.00 C ATOM 656 O VAL A 46 3.151 -5.895 3.458 1.00 0.00 O ATOM 657 CB VAL A 46 1.198 -3.052 2.706 1.00 0.00 C ATOM 658 CG1 VAL A 46 2.161 -3.025 1.517 1.00 0.00 C ATOM 659 CG2 VAL A 46 -0.236 -2.766 2.256 1.00 0.00 C ATOM 0 H VAL A 46 0.060 -3.421 4.852 1.00 0.00 H new ATOM 0 HA VAL A 46 0.882 -5.145 2.780 1.00 0.00 H new ATOM 0 HB VAL A 46 1.496 -2.263 3.397 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.080 -2.066 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.182 -3.161 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.908 -3.828 0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.269 -1.812 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.574 -3.560 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.889 -2.722 3.128 1.00 0.00 H new ATOM 669 N ILE A 47 3.421 -3.876 4.442 1.00 0.00 N ATOM 670 CA ILE A 47 4.799 -4.125 4.828 1.00 0.00 C ATOM 671 C ILE A 47 4.937 -5.570 5.312 1.00 0.00 C ATOM 672 O ILE A 47 5.791 -6.311 4.829 1.00 0.00 O ATOM 673 CB ILE A 47 5.265 -3.087 5.851 1.00 0.00 C ATOM 674 CG1 ILE A 47 5.270 -1.682 5.244 1.00 0.00 C ATOM 675 CG2 ILE A 47 6.628 -3.464 6.435 1.00 0.00 C ATOM 676 CD1 ILE A 47 5.322 -0.613 6.337 1.00 0.00 C ATOM 0 H ILE A 47 3.060 -2.962 4.714 1.00 0.00 H new ATOM 0 HA ILE A 47 5.461 -4.012 3.969 1.00 0.00 H new ATOM 0 HB ILE A 47 4.553 -3.079 6.676 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.128 -1.571 4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.377 -1.542 4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.935 -2.709 7.159 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.557 -4.433 6.929 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.365 -3.519 5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.325 0.376 5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.450 -0.711 6.984 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.229 -0.741 6.928 1.00 0.00 H new ATOM 688 N ASN A 48 4.082 -5.927 6.260 1.00 0.00 N ATOM 689 CA ASN A 48 4.097 -7.270 6.814 1.00 0.00 C ATOM 690 C ASN A 48 4.026 -8.288 5.674 1.00 0.00 C ATOM 691 O ASN A 48 4.923 -9.116 5.520 1.00 0.00 O ATOM 692 CB ASN A 48 2.894 -7.501 7.730 1.00 0.00 C ATOM 693 CG ASN A 48 3.311 -7.464 9.202 1.00 0.00 C ATOM 694 OD1 ASN A 48 4.090 -8.276 9.674 1.00 0.00 O ATOM 695 ND2 ASN A 48 2.750 -6.479 9.898 1.00 0.00 N ATOM 0 H ASN A 48 3.375 -5.309 6.658 1.00 0.00 H new ATOM 0 HA ASN A 48 5.016 -7.388 7.389 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.138 -6.738 7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.438 -8.464 7.502 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.964 -6.369 10.889 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.106 -5.834 9.440 1.00 0.00 H new ATOM 702 N ASN A 49 2.952 -8.193 4.905 1.00 0.00 N ATOM 703 CA ASN A 49 2.752 -9.096 3.784 1.00 0.00 C ATOM 704 C ASN A 49 4.030 -9.152 2.945 1.00 0.00 C ATOM 705 O ASN A 49 4.702 -10.181 2.898 1.00 0.00 O ATOM 706 CB ASN A 49 1.615 -8.611 2.882 1.00 0.00 C ATOM 707 CG ASN A 49 0.265 -9.144 3.366 1.00 0.00 C ATOM 708 OD1 ASN A 49 -0.144 -10.249 3.051 1.00 0.00 O ATOM 709 ND2 ASN A 49 -0.401 -8.299 4.148 1.00 0.00 N ATOM 0 H ASN A 49 2.211 -7.505 5.036 1.00 0.00 H new ATOM 0 HA ASN A 49 2.501 -10.079 4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.596 -7.521 2.869 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.793 -8.939 1.858 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.312 -8.562 4.523 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.000 -7.388 4.373 1.00 0.00 H new ATOM 716 N ILE A 50 4.328 -8.031 2.304 1.00 0.00 N ATOM 717 CA ILE A 50 5.514 -7.939 1.470 1.00 0.00 C ATOM 718 C ILE A 50 6.676 -8.656 2.161 1.00 0.00 C ATOM 719 O ILE A 50 7.358 -9.475 1.548 1.00 0.00 O ATOM 720 CB ILE A 50 5.813 -6.480 1.121 1.00 0.00 C ATOM 721 CG1 ILE A 50 4.713 -5.892 0.234 1.00 0.00 C ATOM 722 CG2 ILE A 50 7.197 -6.340 0.486 1.00 0.00 C ATOM 723 CD1 ILE A 50 4.619 -4.375 0.410 1.00 0.00 C ATOM 0 H ILE A 50 3.769 -7.179 2.346 1.00 0.00 H new ATOM 0 HA ILE A 50 5.349 -8.443 0.518 1.00 0.00 H new ATOM 0 HB ILE A 50 5.824 -5.903 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.918 -6.129 -0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.756 -6.351 0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.384 -5.293 0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.955 -6.694 1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.240 -6.933 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.830 -3.983 -0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.390 -4.143 1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.570 -3.917 0.137 1.00 0.00 H new ATOM 735 N LEU A 51 6.865 -8.322 3.429 1.00 0.00 N ATOM 736 CA LEU A 51 7.932 -8.923 4.211 1.00 0.00 C ATOM 737 C LEU A 51 7.765 -10.444 4.209 1.00 0.00 C ATOM 738 O LEU A 51 8.727 -11.177 3.988 1.00 0.00 O ATOM 739 CB LEU A 51 7.980 -8.311 5.612 1.00 0.00 C ATOM 740 CG LEU A 51 8.984 -7.174 5.813 1.00 0.00 C ATOM 741 CD1 LEU A 51 8.651 -6.365 7.069 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.418 -7.706 5.838 1.00 0.00 C ATOM 0 H LEU A 51 6.297 -7.642 3.935 1.00 0.00 H new ATOM 0 HA LEU A 51 8.901 -8.708 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.986 -7.939 5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.210 -9.103 6.325 1.00 0.00 H new ATOM 0 HG LEU A 51 8.907 -6.496 4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.380 -5.563 7.189 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.653 -5.937 6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.683 -7.018 7.941 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.111 -6.877 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.528 -8.417 6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.638 -8.203 4.893 1.00 0.00 H new ATOM 754 N GLU A 52 6.536 -10.872 4.459 1.00 0.00 N ATOM 755 CA GLU A 52 6.230 -12.292 4.489 1.00 0.00 C ATOM 756 C GLU A 52 5.824 -12.777 3.096 1.00 0.00 C ATOM 757 O GLU A 52 5.180 -13.817 2.960 1.00 0.00 O ATOM 758 CB GLU A 52 5.137 -12.596 5.516 1.00 0.00 C ATOM 759 CG GLU A 52 5.576 -12.182 6.922 1.00 0.00 C ATOM 760 CD GLU A 52 5.850 -13.409 7.794 1.00 0.00 C ATOM 761 OE1 GLU A 52 6.749 -14.188 7.412 1.00 0.00 O ATOM 762 OE2 GLU A 52 5.154 -13.539 8.824 1.00 0.00 O ATOM 0 H GLU A 52 5.741 -10.260 4.643 1.00 0.00 H new ATOM 0 HA GLU A 52 7.128 -12.831 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.222 -12.068 5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.906 -13.661 5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.474 -11.567 6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.801 -11.569 7.383 1.00 0.00 H new ATOM 769 N GLU A 53 6.217 -12.002 2.096 1.00 0.00 N ATOM 770 CA GLU A 53 5.901 -12.340 0.719 1.00 0.00 C ATOM 771 C GLU A 53 4.477 -12.890 0.620 1.00 0.00 C ATOM 772 O GLU A 53 4.193 -13.737 -0.226 1.00 0.00 O ATOM 773 CB GLU A 53 6.915 -13.336 0.153 1.00 0.00 C ATOM 774 CG GLU A 53 7.494 -12.837 -1.172 1.00 0.00 C ATOM 775 CD GLU A 53 8.174 -13.974 -1.937 1.00 0.00 C ATOM 776 OE1 GLU A 53 8.867 -14.772 -1.270 1.00 0.00 O ATOM 777 OE2 GLU A 53 7.985 -14.020 -3.172 1.00 0.00 O ATOM 0 H GLU A 53 6.751 -11.141 2.212 1.00 0.00 H new ATOM 0 HA GLU A 53 5.960 -11.432 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.720 -13.488 0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.435 -14.303 0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.699 -12.408 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.214 -12.041 -0.981 1.00 0.00 H new ATOM 784 N ARG A 54 3.620 -12.386 1.496 1.00 0.00 N ATOM 785 CA ARG A 54 2.233 -12.817 1.517 1.00 0.00 C ATOM 786 C ARG A 54 1.362 -11.842 0.722 1.00 0.00 C ATOM 787 O ARG A 54 0.217 -11.584 1.090 1.00 0.00 O ATOM 788 CB ARG A 54 1.706 -12.907 2.951 1.00 0.00 C ATOM 789 CG ARG A 54 2.417 -14.017 3.728 1.00 0.00 C ATOM 790 CD ARG A 54 1.422 -14.823 4.565 1.00 0.00 C ATOM 791 NE ARG A 54 0.388 -15.418 3.690 1.00 0.00 N ATOM 792 CZ ARG A 54 0.549 -16.557 3.003 1.00 0.00 C ATOM 793 NH1 ARG A 54 1.704 -17.232 3.086 1.00 0.00 N ATOM 794 NH2 ARG A 54 -0.444 -17.022 2.233 1.00 0.00 N ATOM 0 H ARG A 54 3.859 -11.684 2.196 1.00 0.00 H new ATOM 0 HA ARG A 54 2.186 -13.806 1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.853 -11.953 3.457 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.633 -13.098 2.937 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.933 -14.679 3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.176 -13.582 4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.945 -15.609 5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.954 -14.178 5.308 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.504 -14.930 3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.460 -16.879 3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.827 -18.099 2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.323 -16.509 2.170 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.321 -17.889 1.710 1.00 0.00 H new ATOM 808 N LEU A 55 1.938 -11.327 -0.354 1.00 0.00 N ATOM 809 CA LEU A 55 1.228 -10.387 -1.205 1.00 0.00 C ATOM 810 C LEU A 55 0.187 -11.141 -2.034 1.00 0.00 C ATOM 811 O LEU A 55 0.506 -12.138 -2.680 1.00 0.00 O ATOM 812 CB LEU A 55 2.216 -9.577 -2.048 1.00 0.00 C ATOM 813 CG LEU A 55 2.785 -8.319 -1.389 1.00 0.00 C ATOM 814 CD1 LEU A 55 3.638 -7.520 -2.377 1.00 0.00 C ATOM 815 CD2 LEU A 55 1.671 -7.469 -0.775 1.00 0.00 C ATOM 0 H LEU A 55 2.888 -11.543 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 55 0.687 -9.659 -0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.047 -10.227 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.720 -9.286 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 55 3.440 -8.627 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.030 -6.631 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.466 -8.137 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.026 -7.222 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.103 -6.581 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.971 -7.168 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.144 -8.051 -0.019 1.00 0.00 H new ATOM 827 N ALA A 56 -1.037 -10.636 -1.989 1.00 0.00 N ATOM 828 CA ALA A 56 -2.128 -11.249 -2.728 1.00 0.00 C ATOM 829 C ALA A 56 -1.679 -11.510 -4.168 1.00 0.00 C ATOM 830 O ALA A 56 -0.789 -10.831 -4.677 1.00 0.00 O ATOM 831 CB ALA A 56 -3.363 -10.350 -2.656 1.00 0.00 C ATOM 0 H ALA A 56 -1.298 -9.809 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.398 -12.209 -2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.181 -10.810 -3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.658 -10.220 -1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.131 -9.378 -3.091 1.00 0.00 H new ATOM 837 N PRO A 57 -2.334 -12.521 -4.799 1.00 0.00 N ATOM 838 CA PRO A 57 -2.012 -12.880 -6.170 1.00 0.00 C ATOM 839 C PRO A 57 -2.578 -11.853 -7.153 1.00 0.00 C ATOM 840 O PRO A 57 -2.312 -11.924 -8.352 1.00 0.00 O ATOM 841 CB PRO A 57 -2.597 -14.270 -6.361 1.00 0.00 C ATOM 842 CG PRO A 57 -3.621 -14.447 -5.251 1.00 0.00 C ATOM 843 CD PRO A 57 -3.394 -13.346 -4.227 1.00 0.00 C ATOM 0 HA PRO A 57 -0.939 -12.884 -6.363 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.063 -14.366 -7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.820 -15.032 -6.301 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.633 -14.392 -5.653 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.515 -15.428 -4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.302 -12.766 -4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.098 -13.758 -3.262 1.00 0.00 H new ATOM 851 N THR A 58 -3.348 -10.922 -6.609 1.00 0.00 N ATOM 852 CA THR A 58 -3.954 -9.882 -7.423 1.00 0.00 C ATOM 853 C THR A 58 -3.095 -8.616 -7.396 1.00 0.00 C ATOM 854 O THR A 58 -3.114 -7.828 -8.340 1.00 0.00 O ATOM 855 CB THR A 58 -5.381 -9.659 -6.919 1.00 0.00 C ATOM 856 OG1 THR A 58 -6.109 -10.769 -7.438 1.00 0.00 O ATOM 857 CG2 THR A 58 -6.046 -8.442 -7.565 1.00 0.00 C ATOM 0 H THR A 58 -3.566 -10.866 -5.614 1.00 0.00 H new ATOM 0 HA THR A 58 -4.007 -10.179 -8.470 1.00 0.00 H new ATOM 0 HB THR A 58 -5.369 -9.534 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.046 -10.706 -7.158 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.057 -8.329 -7.173 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.466 -7.547 -7.338 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.090 -8.582 -8.645 1.00 0.00 H new ATOM 865 N LEU A 59 -2.362 -8.460 -6.303 1.00 0.00 N ATOM 866 CA LEU A 59 -1.499 -7.303 -6.140 1.00 0.00 C ATOM 867 C LEU A 59 -0.080 -7.664 -6.585 1.00 0.00 C ATOM 868 O LEU A 59 0.553 -6.912 -7.324 1.00 0.00 O ATOM 869 CB LEU A 59 -1.577 -6.772 -4.707 1.00 0.00 C ATOM 870 CG LEU A 59 -2.984 -6.617 -4.126 1.00 0.00 C ATOM 871 CD1 LEU A 59 -2.934 -6.444 -2.607 1.00 0.00 C ATOM 872 CD2 LEU A 59 -3.736 -5.472 -4.808 1.00 0.00 C ATOM 0 H LEU A 59 -2.348 -9.116 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.836 -6.485 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.010 -7.442 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.082 -5.802 -4.673 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.539 -7.533 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.947 -6.336 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.465 -7.318 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.355 -5.554 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.733 -5.383 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.192 -4.539 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.820 -5.676 -5.875 1.00 0.00 H new ATOM 884 N SER A 60 0.377 -8.816 -6.116 1.00 0.00 N ATOM 885 CA SER A 60 1.709 -9.286 -6.456 1.00 0.00 C ATOM 886 C SER A 60 1.892 -9.288 -7.976 1.00 0.00 C ATOM 887 O SER A 60 3.004 -9.116 -8.471 1.00 0.00 O ATOM 888 CB SER A 60 1.961 -10.685 -5.890 1.00 0.00 C ATOM 889 OG SER A 60 3.342 -10.913 -5.624 1.00 0.00 O ATOM 0 H SER A 60 -0.151 -9.437 -5.504 1.00 0.00 H new ATOM 0 HA SER A 60 2.435 -8.606 -6.010 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.389 -10.813 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.600 -11.432 -6.597 1.00 0.00 H new ATOM 0 HG SER A 60 3.461 -11.816 -5.263 1.00 0.00 H new ATOM 895 N GLN A 61 0.782 -9.485 -8.672 1.00 0.00 N ATOM 896 CA GLN A 61 0.805 -9.512 -10.125 1.00 0.00 C ATOM 897 C GLN A 61 0.881 -8.088 -10.681 1.00 0.00 C ATOM 898 O GLN A 61 1.593 -7.834 -11.651 1.00 0.00 O ATOM 899 CB GLN A 61 -0.413 -10.253 -10.679 1.00 0.00 C ATOM 900 CG GLN A 61 -1.711 -9.538 -10.296 1.00 0.00 C ATOM 901 CD GLN A 61 -2.922 -10.225 -10.929 1.00 0.00 C ATOM 902 OE1 GLN A 61 -2.872 -11.371 -11.344 1.00 0.00 O ATOM 903 NE2 GLN A 61 -4.011 -9.462 -10.981 1.00 0.00 N ATOM 0 H GLN A 61 -0.139 -9.627 -8.257 1.00 0.00 H new ATOM 0 HA GLN A 61 1.695 -10.054 -10.445 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.338 -10.322 -11.764 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.428 -11.273 -10.295 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.819 -9.529 -9.211 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.667 -8.498 -10.621 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.985 -8.510 -10.615 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.872 -9.829 -11.387 1.00 0.00 H new ATOM 912 N LEU A 62 0.138 -7.197 -10.042 1.00 0.00 N ATOM 913 CA LEU A 62 0.112 -5.806 -10.460 1.00 0.00 C ATOM 914 C LEU A 62 1.545 -5.320 -10.688 1.00 0.00 C ATOM 915 O LEU A 62 2.498 -5.958 -10.245 1.00 0.00 O ATOM 916 CB LEU A 62 -0.673 -4.959 -9.456 1.00 0.00 C ATOM 917 CG LEU A 62 -2.190 -4.923 -9.650 1.00 0.00 C ATOM 918 CD1 LEU A 62 -2.869 -4.142 -8.523 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.553 -4.369 -11.030 1.00 0.00 C ATOM 0 H LEU A 62 -0.451 -7.411 -9.237 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.415 -5.703 -11.409 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.464 -5.333 -8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.297 -3.937 -9.500 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.564 -5.946 -9.604 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.947 -4.132 -8.685 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.650 -4.618 -7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.494 -3.119 -8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.637 -4.354 -11.142 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.164 -3.356 -11.129 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.117 -5.002 -11.803 1.00 0.00 H new ATOM 931 N ASP A 63 1.651 -4.193 -11.377 1.00 0.00 N ATOM 932 CA ASP A 63 2.951 -3.614 -11.669 1.00 0.00 C ATOM 933 C ASP A 63 3.609 -3.165 -10.363 1.00 0.00 C ATOM 934 O ASP A 63 3.123 -2.247 -9.703 1.00 0.00 O ATOM 935 CB ASP A 63 2.817 -2.390 -12.577 1.00 0.00 C ATOM 936 CG ASP A 63 3.693 -2.416 -13.831 1.00 0.00 C ATOM 937 OD1 ASP A 63 4.931 -2.389 -13.660 1.00 0.00 O ATOM 938 OD2 ASP A 63 3.105 -2.462 -14.933 1.00 0.00 O ATOM 0 H ASP A 63 0.858 -3.666 -11.741 1.00 0.00 H new ATOM 0 HA ASP A 63 3.553 -4.371 -12.172 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.775 -2.295 -12.882 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.062 -1.499 -11.999 1.00 0.00 H new ATOM 943 N ARG A 64 4.704 -3.832 -10.029 1.00 0.00 N ATOM 944 CA ARG A 64 5.433 -3.512 -8.814 1.00 0.00 C ATOM 945 C ARG A 64 5.793 -2.025 -8.786 1.00 0.00 C ATOM 946 O ARG A 64 5.914 -1.432 -7.715 1.00 0.00 O ATOM 947 CB ARG A 64 6.714 -4.342 -8.706 1.00 0.00 C ATOM 948 CG ARG A 64 6.395 -5.806 -8.396 1.00 0.00 C ATOM 949 CD ARG A 64 7.345 -6.362 -7.334 1.00 0.00 C ATOM 950 NE ARG A 64 7.396 -7.838 -7.422 1.00 0.00 N ATOM 951 CZ ARG A 64 6.450 -8.653 -6.934 1.00 0.00 C ATOM 952 NH1 ARG A 64 5.376 -8.140 -6.320 1.00 0.00 N ATOM 953 NH2 ARG A 64 6.580 -9.981 -7.060 1.00 0.00 N ATOM 0 H ARG A 64 5.104 -4.593 -10.579 1.00 0.00 H new ATOM 0 HA ARG A 64 4.787 -3.749 -7.968 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.273 -4.278 -9.640 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.352 -3.932 -7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.365 -5.892 -8.048 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.475 -6.400 -9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.343 -5.947 -7.474 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.010 -6.060 -6.341 1.00 0.00 H new ATOM 0 HE ARG A 64 8.201 -8.262 -7.883 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.278 -7.129 -6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.656 -8.760 -5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.399 -10.371 -7.527 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.860 -10.601 -6.689 1.00 0.00 H new ATOM 967 N ASN A 65 5.955 -1.466 -9.976 1.00 0.00 N ATOM 968 CA ASN A 65 6.299 -0.060 -10.101 1.00 0.00 C ATOM 969 C ASN A 65 5.132 0.690 -10.746 1.00 0.00 C ATOM 970 O ASN A 65 5.338 1.537 -11.615 1.00 0.00 O ATOM 971 CB ASN A 65 7.531 0.129 -10.989 1.00 0.00 C ATOM 972 CG ASN A 65 8.820 -0.033 -10.180 1.00 0.00 C ATOM 973 OD1 ASN A 65 9.659 0.850 -10.118 1.00 0.00 O ATOM 974 ND2 ASN A 65 8.929 -1.208 -9.567 1.00 0.00 N ATOM 0 H ASN A 65 5.854 -1.961 -10.862 1.00 0.00 H new ATOM 0 HA ASN A 65 6.511 0.325 -9.104 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.513 -0.598 -11.801 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.506 1.118 -11.446 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.753 -1.414 -9.003 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.188 -1.903 -9.661 1.00 0.00 H new ATOM 981 N LEU A 66 3.932 0.353 -10.296 1.00 0.00 N ATOM 982 CA LEU A 66 2.732 0.985 -10.818 1.00 0.00 C ATOM 983 C LEU A 66 2.715 2.458 -10.406 1.00 0.00 C ATOM 984 O LEU A 66 2.866 2.778 -9.227 1.00 0.00 O ATOM 985 CB LEU A 66 1.487 0.210 -10.384 1.00 0.00 C ATOM 986 CG LEU A 66 0.177 0.609 -11.065 1.00 0.00 C ATOM 987 CD1 LEU A 66 -0.151 -0.337 -12.222 1.00 0.00 C ATOM 988 CD2 LEU A 66 -0.966 0.692 -10.051 1.00 0.00 C ATOM 0 H LEU A 66 3.765 -0.350 -9.576 1.00 0.00 H new ATOM 0 HA LEU A 66 2.731 0.960 -11.908 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.661 -0.850 -10.568 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.365 0.331 -9.308 1.00 0.00 H new ATOM 0 HG LEU A 66 0.303 1.605 -11.490 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.087 -0.030 -12.688 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.651 -0.301 -12.960 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.250 -1.354 -11.843 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.886 0.978 -10.562 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.102 -0.279 -9.575 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.726 1.437 -9.292 1.00 0.00 H new ATOM 1000 N ASP A 67 2.531 3.315 -11.399 1.00 0.00 N ATOM 1001 CA ASP A 67 2.492 4.747 -11.153 1.00 0.00 C ATOM 1002 C ASP A 67 1.104 5.135 -10.641 1.00 0.00 C ATOM 1003 O ASP A 67 0.175 4.330 -10.684 1.00 0.00 O ATOM 1004 CB ASP A 67 2.759 5.533 -12.439 1.00 0.00 C ATOM 1005 CG ASP A 67 2.667 7.054 -12.297 1.00 0.00 C ATOM 1006 OD1 ASP A 67 3.382 7.586 -11.420 1.00 0.00 O ATOM 1007 OD2 ASP A 67 1.885 7.650 -13.069 1.00 0.00 O ATOM 0 H ASP A 67 2.407 3.046 -12.375 1.00 0.00 H new ATOM 0 HA ASP A 67 3.261 4.984 -10.418 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.753 5.277 -12.804 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.047 5.210 -13.199 1.00 0.00 H new