USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 617 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 7 THR OG1 : rot 20:sc= 1.08 USER MOD Single : A 15 SER OG : rot -101:sc= 1.23 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.1) USER MOD Single : A 20 ASN : amide:sc= 1.15 K(o=1.1,f=-0.15) USER MOD Single : A 21 THR OG1 : rot 94:sc= 1.27 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.16) USER MOD Single : A 31 SER OG : rot 180:sc= 0.21 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 178:sc= 0.961 USER MOD Single : A 51 LYS NZ :NH3+ -149:sc= 0.912 (180deg=-0.749!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 17:sc= 1.14 USER MOD Single : A 64 SER OG : rot -90:sc= 1.07 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 98:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -3.104 11.828 -14.352 1.00 10.00 N ATOM 95 CA LEU A 6 -2.216 11.365 -13.289 1.00 10.00 C ATOM 96 C LEU A 6 -1.064 12.358 -13.091 1.00 10.00 C ATOM 97 O LEU A 6 -0.175 12.478 -13.932 1.00 10.00 O ATOM 98 CB LEU A 6 -1.740 9.934 -13.576 1.00 10.00 C ATOM 99 CG LEU A 6 -2.874 8.887 -13.647 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.262 7.488 -13.752 1.00 10.00 C ATOM 101 CD2 LEU A 6 -3.818 8.920 -12.438 1.00 10.00 C ATOM 0 HA LEU A 6 -2.760 11.326 -12.345 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.196 9.927 -14.521 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.035 9.636 -12.800 1.00 10.00 H new ATOM 0 HG LEU A 6 -3.469 9.134 -14.526 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -3.058 6.745 -13.802 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -1.650 7.425 -14.652 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -1.641 7.296 -12.877 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -4.588 8.158 -12.557 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -3.251 8.723 -11.528 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.286 9.902 -12.369 1.00 10.00 H new ATOM 113 N THR A 7 -1.131 13.103 -11.985 1.00 10.00 N ATOM 114 CA THR A 7 -0.219 14.190 -11.620 1.00 10.00 C ATOM 115 C THR A 7 -0.129 14.265 -10.090 1.00 10.00 C ATOM 116 O THR A 7 -0.634 13.387 -9.389 1.00 10.00 O ATOM 117 CB THR A 7 -0.716 15.500 -12.275 1.00 10.00 C ATOM 118 OG1 THR A 7 0.225 16.557 -12.300 1.00 10.00 O ATOM 119 CG2 THR A 7 -1.984 16.071 -11.626 1.00 10.00 C ATOM 0 H THR A 7 -1.859 12.957 -11.285 1.00 10.00 H new ATOM 0 HA THR A 7 0.791 14.014 -11.990 1.00 10.00 H new ATOM 0 HB THR A 7 -0.913 15.166 -13.294 1.00 10.00 H new ATOM 0 HG1 THR A 7 1.127 16.194 -12.180 1.00 10.00 H new ATOM 0 HG21 THR A 7 -2.273 16.989 -12.138 1.00 10.00 H new ATOM 0 HG22 THR A 7 -2.792 15.343 -11.703 1.00 10.00 H new ATOM 0 HG23 THR A 7 -1.789 16.287 -10.576 1.00 10.00 H new ATOM 127 N GLU A 8 0.477 15.333 -9.574 1.00 10.00 N ATOM 128 CA GLU A 8 0.907 15.599 -8.193 1.00 10.00 C ATOM 129 C GLU A 8 -0.251 15.743 -7.173 1.00 10.00 C ATOM 130 O GLU A 8 -0.090 16.336 -6.109 1.00 10.00 O ATOM 131 CB GLU A 8 1.885 16.809 -8.157 1.00 10.00 C ATOM 132 CG GLU A 8 2.500 17.335 -9.476 1.00 10.00 C ATOM 133 CD GLU A 8 3.082 16.262 -10.410 1.00 10.00 C ATOM 134 OE1 GLU A 8 4.144 15.701 -10.077 1.00 10.00 O ATOM 135 OE2 GLU A 8 2.401 15.997 -11.438 1.00 10.00 O ATOM 0 H GLU A 8 0.706 16.123 -10.177 1.00 10.00 H new ATOM 0 HA GLU A 8 1.438 14.708 -7.860 1.00 10.00 H new ATOM 0 HB2 GLU A 8 1.358 17.640 -7.689 1.00 10.00 H new ATOM 0 HB3 GLU A 8 2.710 16.542 -7.496 1.00 10.00 H new ATOM 0 HG2 GLU A 8 1.733 17.887 -10.019 1.00 10.00 H new ATOM 0 HG3 GLU A 8 3.290 18.045 -9.230 1.00 10.00 H new ATOM 142 N GLY A 9 -1.422 15.191 -7.506 1.00 10.00 N ATOM 143 CA GLY A 9 -2.613 15.081 -6.676 1.00 10.00 C ATOM 144 C GLY A 9 -3.223 13.686 -6.805 1.00 10.00 C ATOM 145 O GLY A 9 -3.313 12.970 -5.815 1.00 10.00 O ATOM 0 H GLY A 9 -1.567 14.782 -8.429 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -2.358 15.279 -5.635 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -3.343 15.833 -6.974 1.00 10.00 H new ATOM 149 N ASP A 10 -3.551 13.250 -8.028 1.00 10.00 N ATOM 150 CA ASP A 10 -4.048 11.892 -8.294 1.00 10.00 C ATOM 151 C ASP A 10 -3.028 10.802 -7.921 1.00 10.00 C ATOM 152 O ASP A 10 -3.393 9.786 -7.333 1.00 10.00 O ATOM 153 CB ASP A 10 -4.413 11.773 -9.780 1.00 10.00 C ATOM 154 CG ASP A 10 -5.611 12.646 -10.155 1.00 10.00 C ATOM 155 OD1 ASP A 10 -5.423 13.884 -10.214 1.00 10.00 O ATOM 156 OD2 ASP A 10 -6.699 12.065 -10.376 1.00 10.00 O ATOM 0 H ASP A 10 -3.479 13.830 -8.864 1.00 10.00 H new ATOM 0 HA ASP A 10 -4.926 11.734 -7.667 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -3.554 12.059 -10.387 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -4.637 10.732 -10.015 1.00 10.00 H new ATOM 161 N LEU A 11 -1.741 11.016 -8.223 1.00 10.00 N ATOM 162 CA LEU A 11 -0.677 10.081 -7.853 1.00 10.00 C ATOM 163 C LEU A 11 -0.452 10.047 -6.332 1.00 10.00 C ATOM 164 O LEU A 11 -0.218 8.974 -5.775 1.00 10.00 O ATOM 165 CB LEU A 11 0.613 10.457 -8.605 1.00 10.00 C ATOM 166 CG LEU A 11 0.545 10.237 -10.132 1.00 10.00 C ATOM 167 CD1 LEU A 11 1.831 10.738 -10.794 1.00 10.00 C ATOM 168 CD2 LEU A 11 0.358 8.760 -10.499 1.00 10.00 C ATOM 0 H LEU A 11 -1.412 11.839 -8.728 1.00 10.00 H new ATOM 0 HA LEU A 11 -0.978 9.074 -8.143 1.00 10.00 H new ATOM 0 HB2 LEU A 11 0.841 11.505 -8.410 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.439 9.871 -8.202 1.00 10.00 H new ATOM 0 HG LEU A 11 -0.319 10.796 -10.491 1.00 10.00 H new ATOM 0 HD11 LEU A 11 1.772 10.578 -11.871 1.00 10.00 H new ATOM 0 HD12 LEU A 11 1.954 11.802 -10.591 1.00 10.00 H new ATOM 0 HD13 LEU A 11 2.684 10.191 -10.392 1.00 10.00 H new ATOM 0 HD21 LEU A 11 0.316 8.657 -11.583 1.00 10.00 H new ATOM 0 HD22 LEU A 11 1.196 8.180 -10.112 1.00 10.00 H new ATOM 0 HD23 LEU A 11 -0.571 8.392 -10.063 1.00 10.00 H new ATOM 180 N ASP A 12 -0.580 11.198 -5.658 1.00 10.00 N ATOM 181 CA ASP A 12 -0.526 11.283 -4.197 1.00 10.00 C ATOM 182 C ASP A 12 -1.741 10.598 -3.552 1.00 10.00 C ATOM 183 O ASP A 12 -1.569 9.832 -2.608 1.00 10.00 O ATOM 184 CB ASP A 12 -0.417 12.753 -3.770 1.00 10.00 C ATOM 185 CG ASP A 12 -0.200 12.881 -2.260 1.00 10.00 C ATOM 186 OD1 ASP A 12 0.898 12.486 -1.809 1.00 10.00 O ATOM 187 OD2 ASP A 12 -1.130 13.370 -1.582 1.00 10.00 O ATOM 0 H ASP A 12 -0.724 12.098 -6.115 1.00 10.00 H new ATOM 0 HA ASP A 12 0.359 10.752 -3.846 1.00 10.00 H new ATOM 0 HB2 ASP A 12 0.410 13.227 -4.299 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -1.325 13.285 -4.055 1.00 10.00 H new ATOM 192 N GLU A 13 -2.950 10.790 -4.098 1.00 10.00 N ATOM 193 CA GLU A 13 -4.164 10.089 -3.666 1.00 10.00 C ATOM 194 C GLU A 13 -4.010 8.569 -3.799 1.00 10.00 C ATOM 195 O GLU A 13 -4.313 7.852 -2.847 1.00 10.00 O ATOM 196 CB GLU A 13 -5.377 10.631 -4.445 1.00 10.00 C ATOM 197 CG GLU A 13 -6.750 10.191 -3.898 1.00 10.00 C ATOM 198 CD GLU A 13 -7.225 8.782 -4.302 1.00 10.00 C ATOM 199 OE1 GLU A 13 -6.740 8.255 -5.328 1.00 10.00 O ATOM 200 OE2 GLU A 13 -8.125 8.268 -3.598 1.00 10.00 O ATOM 0 H GLU A 13 -3.113 11.446 -4.862 1.00 10.00 H new ATOM 0 HA GLU A 13 -4.332 10.282 -2.606 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.334 11.720 -4.444 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -5.296 10.310 -5.484 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -6.717 10.242 -2.810 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -7.497 10.912 -4.229 1.00 10.00 H new ATOM 207 N ILE A 14 -3.454 8.074 -4.913 1.00 10.00 N ATOM 208 CA ILE A 14 -3.193 6.640 -5.090 1.00 10.00 C ATOM 209 C ILE A 14 -2.104 6.137 -4.123 1.00 10.00 C ATOM 210 O ILE A 14 -2.316 5.108 -3.479 1.00 10.00 O ATOM 211 CB ILE A 14 -2.898 6.325 -6.573 1.00 10.00 C ATOM 212 CG1 ILE A 14 -4.198 6.506 -7.398 1.00 10.00 C ATOM 213 CG2 ILE A 14 -2.348 4.896 -6.749 1.00 10.00 C ATOM 214 CD1 ILE A 14 -4.029 6.372 -8.918 1.00 10.00 C ATOM 0 H ILE A 14 -3.175 8.649 -5.708 1.00 10.00 H new ATOM 0 HA ILE A 14 -4.092 6.083 -4.825 1.00 10.00 H new ATOM 0 HB ILE A 14 -2.133 7.015 -6.930 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.928 5.769 -7.063 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.614 7.489 -7.180 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -2.152 4.709 -7.805 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.422 4.790 -6.184 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -3.081 4.177 -6.383 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.993 6.515 -9.405 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -3.327 7.126 -9.274 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -3.646 5.380 -9.155 1.00 10.00 H new ATOM 226 N SER A 15 -0.976 6.847 -3.950 1.00 10.00 N ATOM 227 CA SER A 15 0.016 6.492 -2.916 1.00 10.00 C ATOM 228 C SER A 15 -0.598 6.518 -1.504 1.00 10.00 C ATOM 229 O SER A 15 -0.324 5.632 -0.696 1.00 10.00 O ATOM 230 CB SER A 15 1.269 7.386 -2.994 1.00 10.00 C ATOM 231 OG SER A 15 2.265 6.791 -3.810 1.00 10.00 O ATOM 0 H SER A 15 -0.728 7.664 -4.507 1.00 10.00 H new ATOM 0 HA SER A 15 0.331 5.468 -3.119 1.00 10.00 H new ATOM 0 HB2 SER A 15 0.999 8.363 -3.396 1.00 10.00 H new ATOM 0 HB3 SER A 15 1.665 7.552 -1.992 1.00 10.00 H new ATOM 0 HG SER A 15 2.947 6.374 -3.243 1.00 10.00 H new ATOM 237 N SER A 16 -1.487 7.474 -1.209 1.00 10.00 N ATOM 238 CA SER A 16 -2.218 7.540 0.059 1.00 10.00 C ATOM 239 C SER A 16 -3.187 6.361 0.227 1.00 10.00 C ATOM 240 O SER A 16 -3.183 5.721 1.279 1.00 10.00 O ATOM 241 CB SER A 16 -2.966 8.876 0.150 1.00 10.00 C ATOM 242 OG SER A 16 -3.554 9.025 1.426 1.00 10.00 O ATOM 0 H SER A 16 -1.720 8.231 -1.852 1.00 10.00 H new ATOM 0 HA SER A 16 -1.495 7.472 0.872 1.00 10.00 H new ATOM 0 HB2 SER A 16 -2.277 9.699 -0.038 1.00 10.00 H new ATOM 0 HB3 SER A 16 -3.736 8.922 -0.620 1.00 10.00 H new ATOM 0 HG SER A 16 -4.027 9.882 1.470 1.00 10.00 H new ATOM 248 N PHE A 17 -3.940 5.996 -0.820 1.00 10.00 N ATOM 249 CA PHE A 17 -4.822 4.824 -0.832 1.00 10.00 C ATOM 250 C PHE A 17 -4.040 3.520 -0.619 1.00 10.00 C ATOM 251 O PHE A 17 -4.475 2.652 0.143 1.00 10.00 O ATOM 252 CB PHE A 17 -5.600 4.795 -2.157 1.00 10.00 C ATOM 253 CG PHE A 17 -6.405 3.527 -2.388 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.587 3.299 -1.659 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.959 2.563 -3.315 1.00 10.00 C ATOM 256 CE1 PHE A 17 -8.319 2.113 -1.855 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.693 1.380 -3.513 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.873 1.154 -2.782 1.00 10.00 C ATOM 0 H PHE A 17 -3.952 6.517 -1.697 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.524 4.904 -0.002 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.276 5.650 -2.185 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.896 4.918 -2.980 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.933 4.035 -0.948 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -5.051 2.734 -3.875 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -9.225 1.939 -1.293 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -6.351 0.645 -4.226 1.00 10.00 H new ATOM 0 HZ PHE A 17 -8.436 0.245 -2.932 1.00 10.00 H new ATOM 268 N LEU A 18 -2.865 3.394 -1.247 1.00 10.00 N ATOM 269 CA LEU A 18 -1.951 2.271 -1.047 1.00 10.00 C ATOM 270 C LEU A 18 -1.421 2.219 0.392 1.00 10.00 C ATOM 271 O LEU A 18 -1.518 1.173 1.033 1.00 10.00 O ATOM 272 CB LEU A 18 -0.812 2.374 -2.077 1.00 10.00 C ATOM 273 CG LEU A 18 -1.272 1.997 -3.497 1.00 10.00 C ATOM 274 CD1 LEU A 18 -0.254 2.416 -4.561 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.471 0.486 -3.601 1.00 10.00 C ATOM 0 H LEU A 18 -2.520 4.081 -1.918 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.488 1.335 -1.201 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.421 3.391 -2.082 1.00 10.00 H new ATOM 0 HB3 LEU A 18 0.006 1.720 -1.777 1.00 10.00 H new ATOM 0 HG LEU A 18 -2.208 2.526 -3.676 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.620 2.130 -5.547 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -0.114 3.496 -4.525 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.698 1.920 -4.369 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -1.796 0.230 -4.609 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.531 -0.021 -3.384 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.228 0.169 -2.884 1.00 10.00 H new ATOM 287 N HIS A 19 -0.935 3.343 0.933 1.00 10.00 N ATOM 288 CA HIS A 19 -0.484 3.425 2.323 1.00 10.00 C ATOM 289 C HIS A 19 -1.612 3.056 3.302 1.00 10.00 C ATOM 290 O HIS A 19 -1.413 2.193 4.162 1.00 10.00 O ATOM 291 CB HIS A 19 0.085 4.831 2.580 1.00 10.00 C ATOM 292 CG HIS A 19 0.649 5.089 3.960 1.00 10.00 C ATOM 293 ND1 HIS A 19 1.051 6.319 4.430 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.892 4.188 4.966 1.00 10.00 C ATOM 295 CE1 HIS A 19 1.516 6.159 5.681 1.00 10.00 C ATOM 296 NE2 HIS A 19 1.433 4.875 6.054 1.00 10.00 N ATOM 0 H HIS A 19 -0.844 4.219 0.418 1.00 10.00 H new ATOM 0 HA HIS A 19 0.308 2.696 2.496 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.871 5.020 1.849 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.705 5.558 2.393 1.00 10.00 H new ATOM 0 HD2 HIS A 19 0.698 3.127 4.923 1.00 10.00 H new ATOM 0 HE1 HIS A 19 1.903 6.955 6.300 1.00 10.00 H new ATOM 0 HE2 HIS A 19 1.710 4.479 6.952 1.00 10.00 H new ATOM 304 N ASN A 20 -2.811 3.636 3.140 1.00 10.00 N ATOM 305 CA ASN A 20 -3.957 3.288 3.981 1.00 10.00 C ATOM 306 C ASN A 20 -4.346 1.814 3.818 1.00 10.00 C ATOM 307 O ASN A 20 -4.642 1.174 4.817 1.00 10.00 O ATOM 308 CB ASN A 20 -5.157 4.216 3.719 1.00 10.00 C ATOM 309 CG ASN A 20 -5.777 4.719 5.018 1.00 10.00 C ATOM 310 OD1 ASN A 20 -5.652 5.885 5.355 1.00 10.00 O ATOM 311 ND2 ASN A 20 -6.439 3.899 5.812 1.00 10.00 N ATOM 0 H ASN A 20 -3.008 4.346 2.435 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.652 3.435 5.017 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -4.835 5.066 3.117 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -5.910 3.682 3.140 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -6.834 4.244 6.687 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -6.556 2.920 5.551 1.00 10.00 H new ATOM 318 N THR A 21 -4.265 1.247 2.605 1.00 10.00 N ATOM 319 CA THR A 21 -4.592 -0.166 2.358 1.00 10.00 C ATOM 320 C THR A 21 -3.673 -1.085 3.166 1.00 10.00 C ATOM 321 O THR A 21 -4.166 -1.980 3.850 1.00 10.00 O ATOM 322 CB THR A 21 -4.499 -0.508 0.857 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.421 0.258 0.117 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.820 -1.974 0.555 1.00 10.00 C ATOM 0 H THR A 21 -3.972 1.753 1.769 1.00 10.00 H new ATOM 0 HA THR A 21 -5.621 -0.327 2.681 1.00 10.00 H new ATOM 0 HB THR A 21 -3.468 -0.294 0.577 1.00 10.00 H new ATOM 0 HG1 THR A 21 -4.982 1.069 -0.213 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.737 -2.151 -0.517 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.117 -2.617 1.084 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.835 -2.199 0.883 1.00 10.00 H new ATOM 332 N ILE A 22 -2.355 -0.842 3.150 1.00 10.00 N ATOM 333 CA ILE A 22 -1.393 -1.614 3.956 1.00 10.00 C ATOM 334 C ILE A 22 -1.626 -1.377 5.453 1.00 10.00 C ATOM 335 O ILE A 22 -1.634 -2.338 6.221 1.00 10.00 O ATOM 336 CB ILE A 22 0.054 -1.255 3.561 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.288 -1.541 2.074 1.00 10.00 C ATOM 338 CG2 ILE A 22 1.118 -2.033 4.358 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.694 -1.165 1.635 1.00 10.00 C ATOM 0 H ILE A 22 -1.926 -0.111 2.583 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.548 -2.674 3.755 1.00 10.00 H new ATOM 0 HB ILE A 22 0.163 -0.194 3.787 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.118 -2.600 1.878 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.438 -0.986 1.480 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.112 -1.731 4.029 1.00 10.00 H new ATOM 0 HG22 ILE A 22 1.007 -1.817 5.421 1.00 10.00 H new ATOM 0 HG23 ILE A 22 0.989 -3.102 4.189 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.815 -1.385 0.574 1.00 10.00 H new ATOM 0 HD12 ILE A 22 1.856 -0.101 1.806 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.420 -1.739 2.210 1.00 10.00 H new ATOM 351 N SER A 23 -1.854 -0.124 5.869 1.00 10.00 N ATOM 352 CA SER A 23 -2.154 0.210 7.265 1.00 10.00 C ATOM 353 C SER A 23 -3.403 -0.523 7.775 1.00 10.00 C ATOM 354 O SER A 23 -3.330 -1.206 8.795 1.00 10.00 O ATOM 355 CB SER A 23 -2.304 1.727 7.415 1.00 10.00 C ATOM 356 OG SER A 23 -2.479 2.077 8.774 1.00 10.00 O ATOM 0 H SER A 23 -1.835 0.684 5.247 1.00 10.00 H new ATOM 0 HA SER A 23 -1.320 -0.127 7.881 1.00 10.00 H new ATOM 0 HB2 SER A 23 -1.421 2.227 7.016 1.00 10.00 H new ATOM 0 HB3 SER A 23 -3.157 2.073 6.832 1.00 10.00 H new ATOM 0 HG SER A 23 -2.572 3.049 8.852 1.00 10.00 H new ATOM 362 N ASP A 24 -4.527 -0.459 7.048 1.00 10.00 N ATOM 363 CA ASP A 24 -5.717 -1.257 7.344 1.00 10.00 C ATOM 364 C ASP A 24 -5.444 -2.757 7.335 1.00 10.00 C ATOM 365 O ASP A 24 -5.943 -3.455 8.216 1.00 10.00 O ATOM 366 CB ASP A 24 -6.834 -0.966 6.327 1.00 10.00 C ATOM 367 CG ASP A 24 -7.605 0.309 6.644 1.00 10.00 C ATOM 368 OD1 ASP A 24 -8.535 0.157 7.472 1.00 10.00 O ATOM 369 OD2 ASP A 24 -7.306 1.374 6.060 1.00 10.00 O ATOM 0 H ASP A 24 -4.633 0.150 6.237 1.00 10.00 H new ATOM 0 HA ASP A 24 -6.025 -0.969 8.349 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.399 -0.884 5.331 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.526 -1.807 6.304 1.00 10.00 H new ATOM 374 N PHE A 25 -4.618 -3.252 6.410 1.00 10.00 N ATOM 375 CA PHE A 25 -4.328 -4.676 6.346 1.00 10.00 C ATOM 376 C PHE A 25 -3.539 -5.132 7.583 1.00 10.00 C ATOM 377 O PHE A 25 -3.946 -6.087 8.245 1.00 10.00 O ATOM 378 CB PHE A 25 -3.598 -4.970 5.030 1.00 10.00 C ATOM 379 CG PHE A 25 -3.523 -6.443 4.719 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.513 -7.221 5.302 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.476 -7.042 3.875 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.458 -8.593 5.039 1.00 10.00 C ATOM 383 CE2 PHE A 25 -4.441 -8.427 3.642 1.00 10.00 C ATOM 384 CZ PHE A 25 -3.429 -9.204 4.226 1.00 10.00 C ATOM 0 H PHE A 25 -4.145 -2.689 5.703 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.254 -5.251 6.357 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.108 -4.457 4.215 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.588 -4.562 5.081 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.781 -6.763 5.951 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -5.236 -6.436 3.405 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -1.663 -9.188 5.464 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -5.189 -8.891 3.017 1.00 10.00 H new ATOM 0 HZ PHE A 25 -3.396 -10.269 4.051 1.00 10.00 H new ATOM 394 N ILE A 26 -2.500 -4.386 7.987 1.00 10.00 N ATOM 395 CA ILE A 26 -1.713 -4.661 9.183 1.00 10.00 C ATOM 396 C ILE A 26 -2.593 -4.568 10.433 1.00 10.00 C ATOM 397 O ILE A 26 -2.598 -5.507 11.226 1.00 10.00 O ATOM 398 CB ILE A 26 -0.503 -3.706 9.225 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.501 -4.062 8.104 1.00 10.00 C ATOM 400 CG2 ILE A 26 0.171 -3.800 10.598 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.563 -2.980 7.887 1.00 10.00 C ATOM 0 H ILE A 26 -2.183 -3.561 7.477 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.326 -5.680 9.156 1.00 10.00 H new ATOM 0 HB ILE A 26 -0.845 -2.684 9.064 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.994 -5.003 8.350 1.00 10.00 H new ATOM 0 HG13 ILE A 26 -0.043 -4.221 7.173 1.00 10.00 H new ATOM 0 HG21 ILE A 26 1.027 -3.126 10.630 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.542 -3.519 11.373 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.508 -4.822 10.769 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.238 -3.288 7.088 1.00 10.00 H new ATOM 0 HD12 ILE A 26 1.078 -2.044 7.612 1.00 10.00 H new ATOM 0 HD13 ILE A 26 2.131 -2.838 8.807 1.00 10.00 H new ATOM 413 N LEU A 27 -3.401 -3.509 10.575 1.00 10.00 N ATOM 414 CA LEU A 27 -4.339 -3.347 11.695 1.00 10.00 C ATOM 415 C LEU A 27 -5.466 -4.404 11.719 1.00 10.00 C ATOM 416 O LEU A 27 -6.178 -4.504 12.718 1.00 10.00 O ATOM 417 CB LEU A 27 -4.900 -1.908 11.696 1.00 10.00 C ATOM 418 CG LEU A 27 -4.064 -0.855 12.458 1.00 10.00 C ATOM 419 CD1 LEU A 27 -4.162 -1.061 13.973 1.00 10.00 C ATOM 420 CD2 LEU A 27 -2.575 -0.803 12.093 1.00 10.00 C ATOM 0 H LEU A 27 -3.423 -2.735 9.911 1.00 10.00 H new ATOM 0 HA LEU A 27 -3.779 -3.516 12.615 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -5.006 -1.580 10.662 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -5.901 -1.930 12.127 1.00 10.00 H new ATOM 0 HG LEU A 27 -4.507 0.091 12.146 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -3.564 -0.306 14.482 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -5.202 -0.972 14.286 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -3.790 -2.053 14.230 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -2.082 -0.031 12.685 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -2.115 -1.769 12.301 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -2.468 -0.571 11.033 1.00 10.00 H new ATOM 432 N LYS A 28 -5.600 -5.220 10.662 1.00 10.00 N ATOM 433 CA LYS A 28 -6.481 -6.399 10.583 1.00 10.00 C ATOM 434 C LYS A 28 -5.683 -7.709 10.375 1.00 10.00 C ATOM 435 O LYS A 28 -6.247 -8.747 10.016 1.00 10.00 O ATOM 436 CB LYS A 28 -7.606 -6.113 9.563 1.00 10.00 C ATOM 437 CG LYS A 28 -8.672 -5.192 10.201 1.00 10.00 C ATOM 438 CD LYS A 28 -9.564 -4.402 9.229 1.00 10.00 C ATOM 439 CE LYS A 28 -8.825 -3.172 8.681 1.00 10.00 C ATOM 440 NZ LYS A 28 -9.743 -2.131 8.160 1.00 10.00 N ATOM 0 H LYS A 28 -5.075 -5.071 9.800 1.00 10.00 H new ATOM 0 HA LYS A 28 -6.977 -6.578 11.537 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -7.190 -5.641 8.673 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -8.065 -7.048 9.243 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -9.315 -5.802 10.835 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -8.164 -4.481 10.852 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -9.868 -5.046 8.404 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -10.474 -4.087 9.739 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -8.209 -2.743 9.471 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -8.150 -3.485 7.885 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -9.189 -1.364 7.727 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -10.372 -2.549 7.445 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -10.313 -1.748 8.941 1.00 10.00 H new ATOM 454 N ARG A 29 -4.374 -7.672 10.674 1.00 10.00 N ATOM 455 CA ARG A 29 -3.447 -8.813 10.784 1.00 10.00 C ATOM 456 C ARG A 29 -2.795 -8.934 12.175 1.00 10.00 C ATOM 457 O ARG A 29 -2.693 -10.050 12.674 1.00 10.00 O ATOM 458 CB ARG A 29 -2.353 -8.690 9.701 1.00 10.00 C ATOM 459 CG ARG A 29 -2.392 -9.723 8.568 1.00 10.00 C ATOM 460 CD ARG A 29 -3.643 -9.657 7.688 1.00 10.00 C ATOM 461 NE ARG A 29 -4.777 -10.375 8.268 1.00 10.00 N ATOM 462 CZ ARG A 29 -5.006 -11.674 8.144 1.00 10.00 C ATOM 463 NH1 ARG A 29 -4.252 -12.492 7.433 1.00 10.00 N ATOM 464 NH2 ARG A 29 -6.044 -12.175 8.772 1.00 10.00 N ATOM 0 H ARG A 29 -3.903 -6.786 10.858 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.035 -9.719 10.636 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -2.421 -7.696 9.259 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -1.381 -8.756 10.189 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -1.513 -9.585 7.938 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -2.321 -10.721 9.001 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -3.919 -8.614 7.533 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -3.416 -10.076 6.708 1.00 10.00 H new ATOM 0 HE ARG A 29 -5.447 -9.831 8.813 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -3.436 -12.132 6.937 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -4.485 -13.484 7.379 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -6.643 -11.568 9.332 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -6.252 -13.171 8.700 1.00 10.00 H new ATOM 478 N VAL A 30 -2.377 -7.825 12.803 1.00 10.00 N ATOM 479 CA VAL A 30 -1.626 -7.788 14.077 1.00 10.00 C ATOM 480 C VAL A 30 -2.068 -6.567 14.907 1.00 10.00 C ATOM 481 O VAL A 30 -2.523 -5.565 14.355 1.00 10.00 O ATOM 482 CB VAL A 30 -0.102 -7.739 13.806 1.00 10.00 C ATOM 483 CG1 VAL A 30 0.734 -7.855 15.087 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.396 -8.870 12.900 1.00 10.00 C ATOM 0 H VAL A 30 -2.557 -6.893 12.428 1.00 10.00 H new ATOM 0 HA VAL A 30 -1.841 -8.695 14.642 1.00 10.00 H new ATOM 0 HB VAL A 30 0.029 -6.769 13.326 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.794 -7.815 14.835 1.00 10.00 H new ATOM 0 HG12 VAL A 30 0.489 -7.031 15.757 1.00 10.00 H new ATOM 0 HG13 VAL A 30 0.514 -8.802 15.580 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.472 -8.772 12.754 1.00 10.00 H new ATOM 0 HG22 VAL A 30 0.179 -9.831 13.366 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.108 -8.812 11.935 1.00 10.00 H new ATOM 494 N SER A 31 -1.972 -6.640 16.241 1.00 10.00 N ATOM 495 CA SER A 31 -2.553 -5.642 17.141 1.00 10.00 C ATOM 496 C SER A 31 -1.727 -4.364 17.324 1.00 10.00 C ATOM 497 O SER A 31 -0.536 -4.393 17.617 1.00 10.00 O ATOM 498 CB SER A 31 -2.768 -6.252 18.529 1.00 10.00 C ATOM 499 OG SER A 31 -3.567 -5.373 19.304 1.00 10.00 O ATOM 0 H SER A 31 -1.487 -7.396 16.725 1.00 10.00 H new ATOM 0 HA SER A 31 -3.487 -5.353 16.658 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.254 -7.224 18.441 1.00 10.00 H new ATOM 0 HB3 SER A 31 -1.809 -6.419 19.019 1.00 10.00 H new ATOM 0 HG SER A 31 -3.710 -5.759 20.193 1.00 10.00 H new ATOM 505 N ALA A 32 -2.396 -3.211 17.301 1.00 10.00 N ATOM 506 CA ALA A 32 -1.836 -1.936 17.761 1.00 10.00 C ATOM 507 C ALA A 32 -1.210 -2.036 19.176 1.00 10.00 C ATOM 508 O ALA A 32 -0.366 -1.218 19.526 1.00 10.00 O ATOM 509 CB ALA A 32 -2.938 -0.873 17.724 1.00 10.00 C ATOM 0 H ALA A 32 -3.354 -3.133 16.959 1.00 10.00 H new ATOM 0 HA ALA A 32 -1.023 -1.656 17.091 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -2.535 0.081 18.064 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -3.308 -0.768 16.704 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -3.757 -1.175 18.378 1.00 10.00 H new ATOM 515 N LYS A 33 -1.647 -3.000 20.009 1.00 10.00 N ATOM 516 CA LYS A 33 -1.078 -3.283 21.339 1.00 10.00 C ATOM 517 C LYS A 33 0.280 -4.010 21.326 1.00 10.00 C ATOM 518 O LYS A 33 0.907 -4.096 22.378 1.00 10.00 O ATOM 519 CB LYS A 33 -2.077 -4.100 22.174 1.00 10.00 C ATOM 520 CG LYS A 33 -3.445 -3.413 22.279 1.00 10.00 C ATOM 521 CD LYS A 33 -4.349 -4.137 23.281 1.00 10.00 C ATOM 522 CE LYS A 33 -5.702 -3.424 23.362 1.00 10.00 C ATOM 523 NZ LYS A 33 -6.592 -4.065 24.358 1.00 10.00 N ATOM 0 H LYS A 33 -2.423 -3.617 19.770 1.00 10.00 H new ATOM 0 HA LYS A 33 -0.892 -2.305 21.782 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -2.201 -5.086 21.726 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -1.672 -4.253 23.174 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -3.312 -2.376 22.587 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -3.923 -3.396 21.300 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -4.491 -5.174 22.975 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -3.877 -4.156 24.264 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -5.549 -2.378 23.629 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -6.181 -3.436 22.383 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -7.500 -3.559 24.389 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -6.757 -5.056 24.089 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -6.145 -4.031 25.296 1.00 10.00 H new ATOM 537 N GLU A 34 0.731 -4.530 20.179 1.00 10.00 N ATOM 538 CA GLU A 34 2.015 -5.244 20.031 1.00 10.00 C ATOM 539 C GLU A 34 2.883 -4.669 18.893 1.00 10.00 C ATOM 540 O GLU A 34 4.107 -4.803 18.929 1.00 10.00 O ATOM 541 CB GLU A 34 1.761 -6.761 19.907 1.00 10.00 C ATOM 542 CG GLU A 34 1.162 -7.168 18.552 1.00 10.00 C ATOM 543 CD GLU A 34 0.364 -8.475 18.578 1.00 10.00 C ATOM 544 OE1 GLU A 34 0.831 -9.436 19.227 1.00 10.00 O ATOM 545 OE2 GLU A 34 -0.719 -8.482 17.941 1.00 10.00 O ATOM 0 H GLU A 34 0.206 -4.468 19.306 1.00 10.00 H new ATOM 0 HA GLU A 34 2.607 -5.085 20.932 1.00 10.00 H new ATOM 0 HB2 GLU A 34 2.701 -7.293 20.056 1.00 10.00 H new ATOM 0 HB3 GLU A 34 1.087 -7.076 20.704 1.00 10.00 H new ATOM 0 HG2 GLU A 34 0.512 -6.367 18.201 1.00 10.00 H new ATOM 0 HG3 GLU A 34 1.969 -7.264 17.826 1.00 10.00 H new ATOM 552 N ILE A 35 2.265 -3.976 17.924 1.00 10.00 N ATOM 553 CA ILE A 35 2.928 -3.137 16.921 1.00 10.00 C ATOM 554 C ILE A 35 3.452 -1.899 17.663 1.00 10.00 C ATOM 555 O ILE A 35 2.669 -1.120 18.203 1.00 10.00 O ATOM 556 CB ILE A 35 1.923 -2.722 15.814 1.00 10.00 C ATOM 557 CG1 ILE A 35 1.303 -3.925 15.063 1.00 10.00 C ATOM 558 CG2 ILE A 35 2.543 -1.730 14.808 1.00 10.00 C ATOM 559 CD1 ILE A 35 2.139 -4.464 13.904 1.00 10.00 C ATOM 0 H ILE A 35 1.251 -3.987 17.816 1.00 10.00 H new ATOM 0 HA ILE A 35 3.742 -3.675 16.434 1.00 10.00 H new ATOM 0 HB ILE A 35 1.113 -2.220 16.343 1.00 10.00 H new ATOM 0 HG12 ILE A 35 1.136 -4.732 15.776 1.00 10.00 H new ATOM 0 HG13 ILE A 35 0.326 -3.630 14.680 1.00 10.00 H new ATOM 0 HG21 ILE A 35 1.803 -1.468 14.052 1.00 10.00 H new ATOM 0 HG22 ILE A 35 2.859 -0.829 15.333 1.00 10.00 H new ATOM 0 HG23 ILE A 35 3.406 -2.191 14.327 1.00 10.00 H new ATOM 0 HD11 ILE A 35 1.621 -5.304 13.442 1.00 10.00 H new ATOM 0 HD12 ILE A 35 2.286 -3.677 13.164 1.00 10.00 H new ATOM 0 HD13 ILE A 35 3.108 -4.796 14.278 1.00 10.00 H new ATOM 571 N VAL A 36 4.773 -1.713 17.688 1.00 10.00 N ATOM 572 CA VAL A 36 5.413 -0.485 18.171 1.00 10.00 C ATOM 573 C VAL A 36 5.172 0.647 17.171 1.00 10.00 C ATOM 574 O VAL A 36 4.725 1.718 17.574 1.00 10.00 O ATOM 575 CB VAL A 36 6.919 -0.731 18.411 1.00 10.00 C ATOM 576 CG1 VAL A 36 7.741 0.558 18.512 1.00 10.00 C ATOM 577 CG2 VAL A 36 7.110 -1.538 19.700 1.00 10.00 C ATOM 0 H VAL A 36 5.438 -2.418 17.370 1.00 10.00 H new ATOM 0 HA VAL A 36 4.974 -0.190 19.124 1.00 10.00 H new ATOM 0 HB VAL A 36 7.282 -1.279 17.542 1.00 10.00 H new ATOM 0 HG11 VAL A 36 8.789 0.309 18.681 1.00 10.00 H new ATOM 0 HG12 VAL A 36 7.647 1.123 17.585 1.00 10.00 H new ATOM 0 HG13 VAL A 36 7.373 1.160 19.343 1.00 10.00 H new ATOM 0 HG21 VAL A 36 8.173 -1.710 19.867 1.00 10.00 H new ATOM 0 HG22 VAL A 36 6.696 -0.983 20.542 1.00 10.00 H new ATOM 0 HG23 VAL A 36 6.597 -2.496 19.609 1.00 10.00 H new ATOM 587 N ASP A 37 5.427 0.400 15.878 1.00 10.00 N ATOM 588 CA ASP A 37 5.070 1.313 14.788 1.00 10.00 C ATOM 589 C ASP A 37 5.108 0.618 13.409 1.00 10.00 C ATOM 590 O ASP A 37 5.519 -0.540 13.285 1.00 10.00 O ATOM 591 CB ASP A 37 5.990 2.560 14.799 1.00 10.00 C ATOM 592 CG ASP A 37 5.232 3.844 14.430 1.00 10.00 C ATOM 593 OD1 ASP A 37 4.256 3.734 13.651 1.00 10.00 O ATOM 594 OD2 ASP A 37 5.623 4.914 14.946 1.00 10.00 O ATOM 0 H ASP A 37 5.892 -0.450 15.558 1.00 10.00 H new ATOM 0 HA ASP A 37 4.042 1.633 14.958 1.00 10.00 H new ATOM 0 HB2 ASP A 37 6.433 2.674 15.788 1.00 10.00 H new ATOM 0 HB3 ASP A 37 6.811 2.410 14.097 1.00 10.00 H new ATOM 599 N ILE A 38 4.719 1.351 12.362 1.00 10.00 N ATOM 600 CA ILE A 38 4.843 0.941 10.959 1.00 10.00 C ATOM 601 C ILE A 38 5.392 2.088 10.111 1.00 10.00 C ATOM 602 O ILE A 38 5.017 3.245 10.283 1.00 10.00 O ATOM 603 CB ILE A 38 3.508 0.421 10.371 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.316 1.390 10.568 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.204 -0.970 10.938 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.009 0.928 9.904 1.00 10.00 C ATOM 0 H ILE A 38 4.297 2.273 12.470 1.00 10.00 H new ATOM 0 HA ILE A 38 5.547 0.109 10.933 1.00 10.00 H new ATOM 0 HB ILE A 38 3.639 0.355 9.291 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.141 1.520 11.636 1.00 10.00 H new ATOM 0 HG13 ILE A 38 2.587 2.367 10.168 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.264 -1.335 10.523 1.00 10.00 H new ATOM 0 HG22 ILE A 38 4.008 -1.655 10.671 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.123 -0.911 12.023 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.226 1.663 10.091 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.163 0.826 8.830 1.00 10.00 H new ATOM 0 HD13 ILE A 38 0.710 -0.034 10.320 1.00 10.00 H new ATOM 618 N ASP A 39 6.231 1.738 9.137 1.00 10.00 N ATOM 619 CA ASP A 39 6.851 2.686 8.212 1.00 10.00 C ATOM 620 C ASP A 39 6.590 2.217 6.785 1.00 10.00 C ATOM 621 O ASP A 39 7.005 1.128 6.395 1.00 10.00 O ATOM 622 CB ASP A 39 8.353 2.820 8.500 1.00 10.00 C ATOM 623 CG ASP A 39 8.622 3.752 9.682 1.00 10.00 C ATOM 624 OD1 ASP A 39 8.642 4.978 9.430 1.00 10.00 O ATOM 625 OD2 ASP A 39 8.832 3.235 10.801 1.00 10.00 O ATOM 0 H ASP A 39 6.504 0.770 8.965 1.00 10.00 H new ATOM 0 HA ASP A 39 6.414 3.676 8.344 1.00 10.00 H new ATOM 0 HB2 ASP A 39 8.772 1.836 8.710 1.00 10.00 H new ATOM 0 HB3 ASP A 39 8.861 3.201 7.614 1.00 10.00 H new ATOM 630 N ILE A 40 5.853 3.018 6.011 1.00 10.00 N ATOM 631 CA ILE A 40 5.400 2.658 4.667 1.00 10.00 C ATOM 632 C ILE A 40 5.722 3.808 3.719 1.00 10.00 C ATOM 633 O ILE A 40 5.256 4.931 3.905 1.00 10.00 O ATOM 634 CB ILE A 40 3.901 2.286 4.687 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.692 0.931 5.399 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.322 2.189 3.261 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.291 0.728 5.968 1.00 10.00 C ATOM 0 H ILE A 40 5.551 3.947 6.305 1.00 10.00 H new ATOM 0 HA ILE A 40 5.924 1.773 4.306 1.00 10.00 H new ATOM 0 HB ILE A 40 3.381 3.077 5.227 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.905 0.127 4.694 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.416 0.844 6.209 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.266 1.926 3.314 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.431 3.150 2.758 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.859 1.423 2.702 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.232 -0.248 6.450 1.00 10.00 H new ATOM 0 HD12 ILE A 40 2.079 1.508 6.700 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.560 0.779 5.161 1.00 10.00 H new ATOM 649 N THR A 41 6.533 3.519 2.699 1.00 10.00 N ATOM 650 CA THR A 41 6.808 4.434 1.591 1.00 10.00 C ATOM 651 C THR A 41 6.367 3.773 0.289 1.00 10.00 C ATOM 652 O THR A 41 6.907 2.741 -0.111 1.00 10.00 O ATOM 653 CB THR A 41 8.306 4.773 1.587 1.00 10.00 C ATOM 654 OG1 THR A 41 8.599 5.521 2.743 1.00 10.00 O ATOM 655 CG2 THR A 41 8.736 5.615 0.389 1.00 10.00 C ATOM 0 H THR A 41 7.024 2.629 2.619 1.00 10.00 H new ATOM 0 HA THR A 41 6.254 5.366 1.701 1.00 10.00 H new ATOM 0 HB THR A 41 8.840 3.824 1.544 1.00 10.00 H new ATOM 0 HG1 THR A 41 9.553 5.744 2.755 1.00 10.00 H new ATOM 0 HG21 THR A 41 9.805 5.817 0.451 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.522 5.073 -0.532 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.188 6.557 0.391 1.00 10.00 H new ATOM 663 N VAL A 42 5.389 4.388 -0.382 1.00 10.00 N ATOM 664 CA VAL A 42 4.922 4.016 -1.719 1.00 10.00 C ATOM 665 C VAL A 42 5.178 5.133 -2.732 1.00 10.00 C ATOM 666 O VAL A 42 4.615 6.228 -2.622 1.00 10.00 O ATOM 667 CB VAL A 42 3.481 3.484 -1.672 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.518 4.324 -0.828 1.00 10.00 C ATOM 669 CG2 VAL A 42 2.904 3.290 -3.075 1.00 10.00 C ATOM 0 H VAL A 42 4.884 5.186 0.004 1.00 10.00 H new ATOM 0 HA VAL A 42 5.514 3.179 -2.088 1.00 10.00 H new ATOM 0 HB VAL A 42 3.567 2.519 -1.173 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.526 3.874 -0.852 1.00 10.00 H new ATOM 0 HG12 VAL A 42 2.874 4.361 0.201 1.00 10.00 H new ATOM 0 HG13 VAL A 42 2.468 5.335 -1.232 1.00 10.00 H new ATOM 0 HG21 VAL A 42 1.884 2.913 -3.000 1.00 10.00 H new ATOM 0 HG22 VAL A 42 2.900 4.244 -3.602 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.516 2.575 -3.624 1.00 10.00 H new ATOM 679 N LEU A 43 5.998 4.825 -3.739 1.00 10.00 N ATOM 680 CA LEU A 43 6.527 5.761 -4.728 1.00 10.00 C ATOM 681 C LEU A 43 6.026 5.380 -6.120 1.00 10.00 C ATOM 682 O LEU A 43 5.968 4.201 -6.466 1.00 10.00 O ATOM 683 CB LEU A 43 8.072 5.774 -4.678 1.00 10.00 C ATOM 684 CG LEU A 43 8.659 7.127 -4.239 1.00 10.00 C ATOM 685 CD1 LEU A 43 8.324 7.454 -2.782 1.00 10.00 C ATOM 686 CD2 LEU A 43 10.183 7.105 -4.388 1.00 10.00 C ATOM 0 H LEU A 43 6.325 3.871 -3.892 1.00 10.00 H new ATOM 0 HA LEU A 43 6.174 6.766 -4.498 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.412 4.999 -3.991 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.462 5.520 -5.664 1.00 10.00 H new ATOM 0 HG LEU A 43 8.216 7.890 -4.878 1.00 10.00 H new ATOM 0 HD11 LEU A 43 8.759 8.418 -2.516 1.00 10.00 H new ATOM 0 HD12 LEU A 43 7.242 7.497 -2.658 1.00 10.00 H new ATOM 0 HD13 LEU A 43 8.733 6.680 -2.132 1.00 10.00 H new ATOM 0 HD21 LEU A 43 10.593 8.065 -4.076 1.00 10.00 H new ATOM 0 HD22 LEU A 43 10.598 6.313 -3.764 1.00 10.00 H new ATOM 0 HD23 LEU A 43 10.444 6.921 -5.430 1.00 10.00 H new ATOM 698 N VAL A 44 5.664 6.391 -6.911 1.00 10.00 N ATOM 699 CA VAL A 44 5.098 6.225 -8.249 1.00 10.00 C ATOM 700 C VAL A 44 5.754 7.206 -9.226 1.00 10.00 C ATOM 701 O VAL A 44 6.041 8.352 -8.884 1.00 10.00 O ATOM 702 CB VAL A 44 3.557 6.325 -8.184 1.00 10.00 C ATOM 703 CG1 VAL A 44 3.045 7.672 -7.659 1.00 10.00 C ATOM 704 CG2 VAL A 44 2.912 6.034 -9.545 1.00 10.00 C ATOM 0 H VAL A 44 5.758 7.368 -6.633 1.00 10.00 H new ATOM 0 HA VAL A 44 5.319 5.231 -8.637 1.00 10.00 H new ATOM 0 HB VAL A 44 3.260 5.561 -7.465 1.00 10.00 H new ATOM 0 HG11 VAL A 44 1.955 7.666 -7.643 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.422 7.836 -6.650 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.393 8.473 -8.311 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.828 6.114 -9.459 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.272 6.754 -10.280 1.00 10.00 H new ATOM 0 HG23 VAL A 44 3.177 5.026 -9.865 1.00 10.00 H new ATOM 714 N GLU A 45 5.999 6.727 -10.444 1.00 10.00 N ATOM 715 CA GLU A 45 6.735 7.385 -11.519 1.00 10.00 C ATOM 716 C GLU A 45 6.061 7.132 -12.870 1.00 10.00 C ATOM 717 O GLU A 45 5.362 6.132 -13.067 1.00 10.00 O ATOM 718 CB GLU A 45 8.150 6.775 -11.648 1.00 10.00 C ATOM 719 CG GLU A 45 9.253 7.460 -10.835 1.00 10.00 C ATOM 720 CD GLU A 45 10.648 7.022 -11.323 1.00 10.00 C ATOM 721 OE1 GLU A 45 10.895 7.102 -12.555 1.00 10.00 O ATOM 722 OE2 GLU A 45 11.459 6.617 -10.462 1.00 10.00 O ATOM 0 H GLU A 45 5.665 5.805 -10.724 1.00 10.00 H new ATOM 0 HA GLU A 45 6.766 8.448 -11.278 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.102 5.728 -11.348 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.437 6.792 -12.699 1.00 10.00 H new ATOM 0 HG2 GLU A 45 9.156 8.542 -10.922 1.00 10.00 H new ATOM 0 HG3 GLU A 45 9.139 7.214 -9.779 1.00 10.00 H new ATOM 729 N TYR A 46 6.376 8.003 -13.834 1.00 10.00 N ATOM 730 CA TYR A 46 6.093 7.732 -15.233 1.00 10.00 C ATOM 731 C TYR A 46 7.375 8.105 -15.984 1.00 10.00 C ATOM 732 O TYR A 46 7.633 9.275 -16.267 1.00 10.00 O ATOM 733 CB TYR A 46 4.850 8.519 -15.673 1.00 10.00 C ATOM 734 CG TYR A 46 4.191 7.960 -16.918 1.00 10.00 C ATOM 735 CD1 TYR A 46 4.850 7.976 -18.164 1.00 10.00 C ATOM 736 CD2 TYR A 46 2.911 7.384 -16.808 1.00 10.00 C ATOM 737 CE1 TYR A 46 4.233 7.402 -19.292 1.00 10.00 C ATOM 738 CE2 TYR A 46 2.281 6.829 -17.934 1.00 10.00 C ATOM 739 CZ TYR A 46 2.947 6.830 -19.181 1.00 10.00 C ATOM 740 OH TYR A 46 2.350 6.288 -20.277 1.00 10.00 O ATOM 0 H TYR A 46 6.828 8.901 -13.663 1.00 10.00 H new ATOM 0 HA TYR A 46 5.847 6.690 -15.439 1.00 10.00 H new ATOM 0 HB2 TYR A 46 4.125 8.524 -14.859 1.00 10.00 H new ATOM 0 HB3 TYR A 46 5.132 9.556 -15.855 1.00 10.00 H new ATOM 0 HD1 TYR A 46 5.827 8.428 -18.253 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.410 7.369 -15.851 1.00 10.00 H new ATOM 0 HE1 TYR A 46 4.744 7.399 -20.243 1.00 10.00 H new ATOM 0 HE2 TYR A 46 1.292 6.403 -17.848 1.00 10.00 H new ATOM 0 HH TYR A 46 1.469 5.936 -20.030 1.00 10.00 H new ATOM 750 N THR A 47 8.174 7.084 -16.292 1.00 10.00 N ATOM 751 CA THR A 47 9.512 7.212 -16.882 1.00 10.00 C ATOM 752 C THR A 47 9.554 6.240 -18.057 1.00 10.00 C ATOM 753 O THR A 47 10.055 5.125 -17.924 1.00 10.00 O ATOM 754 CB THR A 47 10.588 6.972 -15.796 1.00 10.00 C ATOM 755 OG1 THR A 47 10.414 7.931 -14.771 1.00 10.00 O ATOM 756 CG2 THR A 47 12.009 7.162 -16.330 1.00 10.00 C ATOM 0 H THR A 47 7.902 6.114 -16.134 1.00 10.00 H new ATOM 0 HA THR A 47 9.726 8.211 -17.261 1.00 10.00 H new ATOM 0 HB THR A 47 10.470 5.946 -15.447 1.00 10.00 H new ATOM 0 HG1 THR A 47 11.064 7.767 -14.056 1.00 10.00 H new ATOM 0 HG21 THR A 47 12.726 6.982 -15.529 1.00 10.00 H new ATOM 0 HG22 THR A 47 12.189 6.459 -17.143 1.00 10.00 H new ATOM 0 HG23 THR A 47 12.126 8.181 -16.699 1.00 10.00 H new ATOM 764 N ASP A 48 8.983 6.668 -19.193 1.00 10.00 N ATOM 765 CA ASP A 48 8.617 5.860 -20.378 1.00 10.00 C ATOM 766 C ASP A 48 7.580 4.755 -20.059 1.00 10.00 C ATOM 767 O ASP A 48 6.572 4.628 -20.751 1.00 10.00 O ATOM 768 CB ASP A 48 9.865 5.334 -21.105 1.00 10.00 C ATOM 769 CG ASP A 48 9.542 4.904 -22.539 1.00 10.00 C ATOM 770 OD1 ASP A 48 9.182 5.805 -23.330 1.00 10.00 O ATOM 771 OD2 ASP A 48 9.680 3.696 -22.830 1.00 10.00 O ATOM 0 H ASP A 48 8.747 7.652 -19.322 1.00 10.00 H new ATOM 0 HA ASP A 48 8.108 6.526 -21.075 1.00 10.00 H new ATOM 0 HB2 ASP A 48 10.631 6.109 -21.121 1.00 10.00 H new ATOM 0 HB3 ASP A 48 10.278 4.488 -20.555 1.00 10.00 H new ATOM 776 N GLU A 49 7.764 4.040 -18.947 1.00 10.00 N ATOM 777 CA GLU A 49 6.807 3.130 -18.323 1.00 10.00 C ATOM 778 C GLU A 49 6.082 3.842 -17.166 1.00 10.00 C ATOM 779 O GLU A 49 6.654 4.711 -16.503 1.00 10.00 O ATOM 780 CB GLU A 49 7.562 1.963 -17.656 1.00 10.00 C ATOM 781 CG GLU A 49 8.415 1.064 -18.558 1.00 10.00 C ATOM 782 CD GLU A 49 9.254 0.142 -17.664 1.00 10.00 C ATOM 783 OE1 GLU A 49 8.755 -0.913 -17.219 1.00 10.00 O ATOM 784 OE2 GLU A 49 10.385 0.516 -17.281 1.00 10.00 O ATOM 0 H GLU A 49 8.641 4.085 -18.428 1.00 10.00 H new ATOM 0 HA GLU A 49 6.117 2.794 -19.097 1.00 10.00 H new ATOM 0 HB2 GLU A 49 8.211 2.379 -16.885 1.00 10.00 H new ATOM 0 HB3 GLU A 49 6.830 1.334 -17.150 1.00 10.00 H new ATOM 0 HG2 GLU A 49 7.778 0.476 -19.219 1.00 10.00 H new ATOM 0 HG3 GLU A 49 9.062 1.668 -19.194 1.00 10.00 H new ATOM 791 N LEU A 50 4.861 3.394 -16.846 1.00 10.00 N ATOM 792 CA LEU A 50 4.184 3.752 -15.597 1.00 10.00 C ATOM 793 C LEU A 50 4.697 2.748 -14.560 1.00 10.00 C ATOM 794 O LEU A 50 4.548 1.540 -14.757 1.00 10.00 O ATOM 795 CB LEU A 50 2.655 3.626 -15.763 1.00 10.00 C ATOM 796 CG LEU A 50 1.855 3.601 -14.439 1.00 10.00 C ATOM 797 CD1 LEU A 50 2.023 4.866 -13.593 1.00 10.00 C ATOM 798 CD2 LEU A 50 0.364 3.410 -14.728 1.00 10.00 C ATOM 0 H LEU A 50 4.317 2.774 -17.446 1.00 10.00 H new ATOM 0 HA LEU A 50 4.387 4.781 -15.300 1.00 10.00 H new ATOM 0 HB2 LEU A 50 2.300 4.460 -16.369 1.00 10.00 H new ATOM 0 HB3 LEU A 50 2.439 2.713 -16.318 1.00 10.00 H new ATOM 0 HG LEU A 50 2.259 2.766 -13.867 1.00 10.00 H new ATOM 0 HD11 LEU A 50 1.433 4.775 -12.681 1.00 10.00 H new ATOM 0 HD12 LEU A 50 3.074 4.993 -13.334 1.00 10.00 H new ATOM 0 HD13 LEU A 50 1.682 5.732 -14.161 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -0.189 3.394 -13.789 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.005 4.232 -15.347 1.00 10.00 H new ATOM 0 HD23 LEU A 50 0.213 2.467 -15.254 1.00 10.00 H new ATOM 810 N LYS A 51 5.295 3.234 -13.467 1.00 10.00 N ATOM 811 CA LYS A 51 5.903 2.365 -12.455 1.00 10.00 C ATOM 812 C LYS A 51 5.543 2.824 -11.049 1.00 10.00 C ATOM 813 O LYS A 51 5.552 4.013 -10.753 1.00 10.00 O ATOM 814 CB LYS A 51 7.426 2.282 -12.705 1.00 10.00 C ATOM 815 CG LYS A 51 7.847 0.828 -12.981 1.00 10.00 C ATOM 816 CD LYS A 51 9.186 0.727 -13.723 1.00 10.00 C ATOM 817 CE LYS A 51 9.463 -0.747 -14.041 1.00 10.00 C ATOM 818 NZ LYS A 51 10.560 -0.903 -15.020 1.00 10.00 N ATOM 0 H LYS A 51 5.371 4.230 -13.261 1.00 10.00 H new ATOM 0 HA LYS A 51 5.502 1.355 -12.541 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.697 2.912 -13.552 1.00 10.00 H new ATOM 0 HB3 LYS A 51 7.964 2.665 -11.838 1.00 10.00 H new ATOM 0 HG2 LYS A 51 7.919 0.290 -12.036 1.00 10.00 H new ATOM 0 HG3 LYS A 51 7.073 0.336 -13.570 1.00 10.00 H new ATOM 0 HD2 LYS A 51 9.153 1.312 -14.642 1.00 10.00 H new ATOM 0 HD3 LYS A 51 9.989 1.139 -13.111 1.00 10.00 H new ATOM 0 HE2 LYS A 51 9.719 -1.275 -13.122 1.00 10.00 H new ATOM 0 HE3 LYS A 51 8.558 -1.210 -14.433 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 10.396 -1.756 -15.592 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 10.591 -0.070 -15.642 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 11.465 -0.993 -14.516 1.00 10.00 H new ATOM 832 N VAL A 52 5.220 1.864 -10.185 1.00 10.00 N ATOM 833 CA VAL A 52 4.900 2.075 -8.772 1.00 10.00 C ATOM 834 C VAL A 52 5.614 1.005 -7.955 1.00 10.00 C ATOM 835 O VAL A 52 5.639 -0.161 -8.352 1.00 10.00 O ATOM 836 CB VAL A 52 3.371 2.112 -8.534 1.00 10.00 C ATOM 837 CG1 VAL A 52 2.611 0.932 -9.158 1.00 10.00 C ATOM 838 CG2 VAL A 52 3.001 2.210 -7.045 1.00 10.00 C ATOM 0 H VAL A 52 5.172 0.882 -10.458 1.00 10.00 H new ATOM 0 HA VAL A 52 5.257 3.052 -8.445 1.00 10.00 H new ATOM 0 HB VAL A 52 3.056 3.022 -9.044 1.00 10.00 H new ATOM 0 HG11 VAL A 52 1.546 1.032 -8.946 1.00 10.00 H new ATOM 0 HG12 VAL A 52 2.768 0.928 -10.237 1.00 10.00 H new ATOM 0 HG13 VAL A 52 2.979 -0.003 -8.734 1.00 10.00 H new ATOM 0 HG21 VAL A 52 1.916 2.232 -6.940 1.00 10.00 H new ATOM 0 HG22 VAL A 52 3.399 1.346 -6.514 1.00 10.00 H new ATOM 0 HG23 VAL A 52 3.425 3.122 -6.624 1.00 10.00 H new ATOM 848 N ASP A 53 6.186 1.408 -6.822 1.00 10.00 N ATOM 849 CA ASP A 53 6.876 0.520 -5.894 1.00 10.00 C ATOM 850 C ASP A 53 6.502 0.845 -4.448 1.00 10.00 C ATOM 851 O ASP A 53 6.211 1.992 -4.096 1.00 10.00 O ATOM 852 CB ASP A 53 8.395 0.517 -6.112 1.00 10.00 C ATOM 853 CG ASP A 53 9.064 -0.678 -5.414 1.00 10.00 C ATOM 854 OD1 ASP A 53 8.334 -1.650 -5.094 1.00 10.00 O ATOM 855 OD2 ASP A 53 10.292 -0.597 -5.200 1.00 10.00 O ATOM 0 H ASP A 53 6.182 2.382 -6.519 1.00 10.00 H new ATOM 0 HA ASP A 53 6.539 -0.496 -6.101 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.610 0.482 -7.180 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.820 1.446 -5.731 1.00 10.00 H new ATOM 860 N ILE A 54 6.458 -0.207 -3.632 1.00 10.00 N ATOM 861 CA ILE A 54 5.874 -0.200 -2.299 1.00 10.00 C ATOM 862 C ILE A 54 6.841 -0.846 -1.305 1.00 10.00 C ATOM 863 O ILE A 54 7.123 -2.040 -1.383 1.00 10.00 O ATOM 864 CB ILE A 54 4.518 -0.944 -2.334 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.583 -0.455 -3.467 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.829 -0.790 -0.973 1.00 10.00 C ATOM 867 CD1 ILE A 54 2.172 -1.058 -3.470 1.00 10.00 C ATOM 0 H ILE A 54 6.841 -1.116 -3.893 1.00 10.00 H new ATOM 0 HA ILE A 54 5.697 0.825 -1.973 1.00 10.00 H new ATOM 0 HB ILE A 54 4.725 -1.994 -2.543 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.495 0.629 -3.398 1.00 10.00 H new ATOM 0 HG13 ILE A 54 4.055 -0.676 -4.424 1.00 10.00 H new ATOM 0 HG21 ILE A 54 2.872 -1.312 -0.989 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.462 -1.216 -0.195 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.663 0.267 -0.767 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.603 -0.647 -4.304 1.00 10.00 H new ATOM 0 HD12 ILE A 54 2.239 -2.141 -3.575 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.670 -0.815 -2.533 1.00 10.00 H new ATOM 879 N SER A 55 7.299 -0.061 -0.327 1.00 10.00 N ATOM 880 CA SER A 55 8.137 -0.523 0.777 1.00 10.00 C ATOM 881 C SER A 55 7.375 -0.341 2.089 1.00 10.00 C ATOM 882 O SER A 55 6.902 0.758 2.378 1.00 10.00 O ATOM 883 CB SER A 55 9.443 0.274 0.785 1.00 10.00 C ATOM 884 OG SER A 55 10.323 -0.248 1.759 1.00 10.00 O ATOM 0 H SER A 55 7.091 0.937 -0.282 1.00 10.00 H new ATOM 0 HA SER A 55 8.378 -1.579 0.658 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.910 0.232 -0.199 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.237 1.323 0.995 1.00 10.00 H new ATOM 0 HG SER A 55 11.157 0.267 1.756 1.00 10.00 H new ATOM 890 N ALA A 56 7.231 -1.421 2.862 1.00 10.00 N ATOM 891 CA ALA A 56 6.554 -1.425 4.155 1.00 10.00 C ATOM 892 C ALA A 56 7.414 -2.125 5.215 1.00 10.00 C ATOM 893 O ALA A 56 8.042 -3.147 4.936 1.00 10.00 O ATOM 894 CB ALA A 56 5.181 -2.091 4.000 1.00 10.00 C ATOM 0 H ALA A 56 7.592 -2.337 2.597 1.00 10.00 H new ATOM 0 HA ALA A 56 6.405 -0.401 4.496 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.669 -2.098 4.962 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.586 -1.534 3.276 1.00 10.00 H new ATOM 0 HB3 ALA A 56 5.311 -3.115 3.651 1.00 10.00 H new ATOM 900 N GLU A 57 7.395 -1.587 6.434 1.00 10.00 N ATOM 901 CA GLU A 57 8.182 -2.033 7.582 1.00 10.00 C ATOM 902 C GLU A 57 7.304 -2.189 8.826 1.00 10.00 C ATOM 903 O GLU A 57 6.333 -1.451 9.020 1.00 10.00 O ATOM 904 CB GLU A 57 9.327 -1.041 7.862 1.00 10.00 C ATOM 905 CG GLU A 57 10.709 -1.617 7.541 1.00 10.00 C ATOM 906 CD GLU A 57 11.189 -2.656 8.563 1.00 10.00 C ATOM 907 OE1 GLU A 57 10.388 -3.552 8.918 1.00 10.00 O ATOM 908 OE2 GLU A 57 12.356 -2.497 9.007 1.00 10.00 O ATOM 0 H GLU A 57 6.801 -0.789 6.658 1.00 10.00 H new ATOM 0 HA GLU A 57 8.606 -3.008 7.341 1.00 10.00 H new ATOM 0 HB2 GLU A 57 9.170 -0.138 7.273 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.297 -0.746 8.911 1.00 10.00 H new ATOM 0 HG2 GLU A 57 10.682 -2.076 6.553 1.00 10.00 H new ATOM 0 HG3 GLU A 57 11.432 -0.803 7.495 1.00 10.00 H new ATOM 915 N LEU A 58 7.680 -3.160 9.663 1.00 10.00 N ATOM 916 CA LEU A 58 6.906 -3.651 10.804 1.00 10.00 C ATOM 917 C LEU A 58 7.783 -3.597 12.051 1.00 10.00 C ATOM 918 O LEU A 58 8.640 -4.459 12.254 1.00 10.00 O ATOM 919 CB LEU A 58 6.425 -5.100 10.537 1.00 10.00 C ATOM 920 CG LEU A 58 4.973 -5.280 10.066 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.967 -5.023 11.193 1.00 10.00 C ATOM 922 CD2 LEU A 58 4.628 -4.419 8.856 1.00 10.00 C ATOM 0 H LEU A 58 8.571 -3.646 9.558 1.00 10.00 H new ATOM 0 HA LEU A 58 6.026 -3.025 10.953 1.00 10.00 H new ATOM 0 HB2 LEU A 58 7.081 -5.541 9.787 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.557 -5.675 11.454 1.00 10.00 H new ATOM 0 HG LEU A 58 4.897 -6.324 9.761 1.00 10.00 H new ATOM 0 HD11 LEU A 58 2.954 -5.162 10.815 1.00 10.00 H new ATOM 0 HD12 LEU A 58 4.149 -5.722 12.009 1.00 10.00 H new ATOM 0 HD13 LEU A 58 4.082 -4.002 11.557 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.590 -4.591 8.571 1.00 10.00 H new ATOM 0 HD22 LEU A 58 4.766 -3.367 9.106 1.00 10.00 H new ATOM 0 HD23 LEU A 58 5.281 -4.683 8.024 1.00 10.00 H new ATOM 934 N TYR A 59 7.536 -2.610 12.916 1.00 10.00 N ATOM 935 CA TYR A 59 8.239 -2.496 14.184 1.00 10.00 C ATOM 936 C TYR A 59 7.309 -2.978 15.293 1.00 10.00 C ATOM 937 O TYR A 59 6.216 -2.457 15.503 1.00 10.00 O ATOM 938 CB TYR A 59 8.839 -1.088 14.328 1.00 10.00 C ATOM 939 CG TYR A 59 9.869 -0.785 13.239 1.00 10.00 C ATOM 940 CD1 TYR A 59 10.867 -1.737 12.933 1.00 10.00 C ATOM 941 CD2 TYR A 59 9.796 0.399 12.472 1.00 10.00 C ATOM 942 CE1 TYR A 59 11.736 -1.541 11.851 1.00 10.00 C ATOM 943 CE2 TYR A 59 10.705 0.623 11.419 1.00 10.00 C ATOM 944 CZ TYR A 59 11.658 -0.361 11.089 1.00 10.00 C ATOM 945 OH TYR A 59 12.439 -0.239 9.986 1.00 10.00 O ATOM 0 H TYR A 59 6.847 -1.875 12.754 1.00 10.00 H new ATOM 0 HA TYR A 59 9.113 -3.145 14.248 1.00 10.00 H new ATOM 0 HB2 TYR A 59 8.040 -0.348 14.286 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.309 -0.994 15.307 1.00 10.00 H new ATOM 0 HD1 TYR A 59 10.961 -2.626 13.540 1.00 10.00 H new ATOM 0 HD2 TYR A 59 9.039 1.137 12.694 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.466 -2.297 11.602 1.00 10.00 H new ATOM 0 HE2 TYR A 59 10.671 1.549 10.865 1.00 10.00 H new ATOM 0 HH TYR A 59 12.764 -1.123 9.716 1.00 10.00 H new ATOM 955 N LEU A 60 7.748 -4.049 15.954 1.00 10.00 N ATOM 956 CA LEU A 60 6.997 -4.877 16.890 1.00 10.00 C ATOM 957 C LEU A 60 7.692 -4.920 18.252 1.00 10.00 C ATOM 958 O LEU A 60 8.910 -4.769 18.337 1.00 10.00 O ATOM 959 CB LEU A 60 6.894 -6.287 16.280 1.00 10.00 C ATOM 960 CG LEU A 60 5.796 -6.422 15.212 1.00 10.00 C ATOM 961 CD1 LEU A 60 6.069 -7.608 14.284 1.00 10.00 C ATOM 962 CD2 LEU A 60 4.447 -6.653 15.897 1.00 10.00 C ATOM 0 H LEU A 60 8.705 -4.382 15.839 1.00 10.00 H new ATOM 0 HA LEU A 60 6.002 -4.463 17.053 1.00 10.00 H new ATOM 0 HB2 LEU A 60 7.854 -6.552 15.837 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.702 -7.005 17.078 1.00 10.00 H new ATOM 0 HG LEU A 60 5.784 -5.504 14.625 1.00 10.00 H new ATOM 0 HD11 LEU A 60 5.276 -7.678 13.540 1.00 10.00 H new ATOM 0 HD12 LEU A 60 7.026 -7.465 13.782 1.00 10.00 H new ATOM 0 HD13 LEU A 60 6.100 -8.528 14.868 1.00 10.00 H new ATOM 0 HD21 LEU A 60 3.667 -6.749 15.142 1.00 10.00 H new ATOM 0 HD22 LEU A 60 4.492 -7.566 16.490 1.00 10.00 H new ATOM 0 HD23 LEU A 60 4.220 -5.808 16.548 1.00 10.00 H new ATOM 974 N ASP A 61 6.908 -5.112 19.314 1.00 10.00 N ATOM 975 CA ASP A 61 7.447 -5.193 20.672 1.00 10.00 C ATOM 976 C ASP A 61 8.322 -6.443 20.890 1.00 10.00 C ATOM 977 O ASP A 61 8.042 -7.521 20.359 1.00 10.00 O ATOM 978 CB ASP A 61 6.303 -5.137 21.691 1.00 10.00 C ATOM 979 CG ASP A 61 6.883 -5.203 23.102 1.00 10.00 C ATOM 980 OD1 ASP A 61 7.506 -4.203 23.516 1.00 10.00 O ATOM 981 OD2 ASP A 61 6.815 -6.303 23.691 1.00 10.00 O ATOM 0 H ASP A 61 5.895 -5.215 19.259 1.00 10.00 H new ATOM 0 HA ASP A 61 8.101 -4.333 20.818 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.731 -4.218 21.563 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.615 -5.966 21.529 1.00 10.00 H new ATOM 986 N GLU A 62 9.350 -6.308 21.735 1.00 10.00 N ATOM 987 CA GLU A 62 10.332 -7.354 22.052 1.00 10.00 C ATOM 988 C GLU A 62 9.752 -8.573 22.804 1.00 10.00 C ATOM 989 O GLU A 62 10.440 -9.587 22.912 1.00 10.00 O ATOM 990 CB GLU A 62 11.491 -6.724 22.852 1.00 10.00 C ATOM 991 CG GLU A 62 12.357 -5.746 22.036 1.00 10.00 C ATOM 992 CD GLU A 62 13.390 -6.467 21.158 1.00 10.00 C ATOM 993 OE1 GLU A 62 12.965 -7.152 20.201 1.00 10.00 O ATOM 994 OE2 GLU A 62 14.598 -6.325 21.457 1.00 10.00 O ATOM 0 H GLU A 62 9.528 -5.437 22.235 1.00 10.00 H new ATOM 0 HA GLU A 62 10.684 -7.753 21.101 1.00 10.00 H new ATOM 0 HB2 GLU A 62 11.080 -6.197 23.713 1.00 10.00 H new ATOM 0 HB3 GLU A 62 12.127 -7.520 23.239 1.00 10.00 H new ATOM 0 HG2 GLU A 62 11.712 -5.135 21.405 1.00 10.00 H new ATOM 0 HG3 GLU A 62 12.873 -5.068 22.716 1.00 10.00 H new ATOM 1001 N LEU A 63 8.504 -8.518 23.303 1.00 10.00 N ATOM 1002 CA LEU A 63 7.784 -9.674 23.862 1.00 10.00 C ATOM 1003 C LEU A 63 6.708 -10.222 22.897 1.00 10.00 C ATOM 1004 O LEU A 63 6.021 -11.184 23.241 1.00 10.00 O ATOM 1005 CB LEU A 63 7.162 -9.299 25.228 1.00 10.00 C ATOM 1006 CG LEU A 63 8.111 -9.354 26.441 1.00 10.00 C ATOM 1007 CD1 LEU A 63 9.253 -8.334 26.399 1.00 10.00 C ATOM 1008 CD2 LEU A 63 7.301 -9.104 27.720 1.00 10.00 C ATOM 0 H LEU A 63 7.960 -7.656 23.329 1.00 10.00 H new ATOM 0 HA LEU A 63 8.509 -10.475 24.006 1.00 10.00 H new ATOM 0 HB2 LEU A 63 6.756 -8.290 25.155 1.00 10.00 H new ATOM 0 HB3 LEU A 63 6.322 -9.968 25.418 1.00 10.00 H new ATOM 0 HG LEU A 63 8.567 -10.344 26.419 1.00 10.00 H new ATOM 0 HD11 LEU A 63 9.871 -8.443 27.290 1.00 10.00 H new ATOM 0 HD12 LEU A 63 9.862 -8.506 25.512 1.00 10.00 H new ATOM 0 HD13 LEU A 63 8.840 -7.326 26.365 1.00 10.00 H new ATOM 0 HD21 LEU A 63 7.965 -9.141 28.584 1.00 10.00 H new ATOM 0 HD22 LEU A 63 6.830 -8.123 27.666 1.00 10.00 H new ATOM 0 HD23 LEU A 63 6.532 -9.871 27.820 1.00 10.00 H new ATOM 1020 N SER A 64 6.543 -9.627 21.708 1.00 10.00 N ATOM 1021 CA SER A 64 5.594 -10.090 20.682 1.00 10.00 C ATOM 1022 C SER A 64 6.088 -11.331 19.911 1.00 10.00 C ATOM 1023 O SER A 64 7.246 -11.734 20.019 1.00 10.00 O ATOM 1024 CB SER A 64 5.265 -8.945 19.716 1.00 10.00 C ATOM 1025 OG SER A 64 6.365 -8.653 18.885 1.00 10.00 O ATOM 0 H SER A 64 7.070 -8.801 21.427 1.00 10.00 H new ATOM 0 HA SER A 64 4.689 -10.399 21.204 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.405 -9.217 19.104 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.986 -8.056 20.282 1.00 10.00 H new ATOM 0 HG SER A 64 6.924 -7.969 19.310 1.00 10.00 H new ATOM 1031 N ASP A 65 5.194 -11.934 19.115 1.00 10.00 N ATOM 1032 CA ASP A 65 5.449 -13.109 18.285 1.00 10.00 C ATOM 1033 C ASP A 65 4.390 -13.142 17.170 1.00 10.00 C ATOM 1034 O ASP A 65 3.213 -13.398 17.423 1.00 10.00 O ATOM 1035 CB ASP A 65 5.419 -14.387 19.148 1.00 10.00 C ATOM 1036 CG ASP A 65 5.793 -15.652 18.366 1.00 10.00 C ATOM 1037 OD1 ASP A 65 6.494 -15.517 17.338 1.00 10.00 O ATOM 1038 OD2 ASP A 65 5.398 -16.747 18.826 1.00 10.00 O ATOM 0 H ASP A 65 4.234 -11.598 19.032 1.00 10.00 H new ATOM 0 HA ASP A 65 6.440 -13.058 17.833 1.00 10.00 H new ATOM 0 HB2 ASP A 65 6.107 -14.269 19.985 1.00 10.00 H new ATOM 0 HB3 ASP A 65 4.421 -14.510 19.570 1.00 10.00 H new ATOM 1043 N ALA A 66 4.808 -12.811 15.947 1.00 10.00 N ATOM 1044 CA ALA A 66 3.978 -12.724 14.744 1.00 10.00 C ATOM 1045 C ALA A 66 4.614 -13.476 13.556 1.00 10.00 C ATOM 1046 O ALA A 66 5.767 -13.905 13.621 1.00 10.00 O ATOM 1047 CB ALA A 66 3.719 -11.242 14.432 1.00 10.00 C ATOM 0 H ALA A 66 5.785 -12.585 15.759 1.00 10.00 H new ATOM 0 HA ALA A 66 3.022 -13.217 14.922 1.00 10.00 H new ATOM 0 HB1 ALA A 66 3.101 -11.161 13.538 1.00 10.00 H new ATOM 0 HB2 ALA A 66 3.203 -10.778 15.273 1.00 10.00 H new ATOM 0 HB3 ALA A 66 4.669 -10.734 14.264 1.00 10.00 H new ATOM 1053 N ASP A 67 3.899 -13.581 12.430 1.00 10.00 N ATOM 1054 CA ASP A 67 4.271 -14.512 11.363 1.00 10.00 C ATOM 1055 C ASP A 67 5.314 -13.934 10.378 1.00 10.00 C ATOM 1056 O ASP A 67 5.207 -12.768 9.974 1.00 10.00 O ATOM 1057 CB ASP A 67 3.002 -14.882 10.574 1.00 10.00 C ATOM 1058 CG ASP A 67 1.876 -15.385 11.479 1.00 10.00 C ATOM 1059 OD1 ASP A 67 1.267 -14.521 12.152 1.00 10.00 O ATOM 1060 OD2 ASP A 67 1.659 -16.617 11.498 1.00 10.00 O ATOM 0 H ASP A 67 3.061 -13.033 12.236 1.00 10.00 H new ATOM 0 HA ASP A 67 4.727 -15.381 11.838 1.00 10.00 H new ATOM 0 HB2 ASP A 67 2.656 -14.010 10.019 1.00 10.00 H new ATOM 0 HB3 ASP A 67 3.245 -15.651 9.840 1.00 10.00 H new ATOM 1065 N PRO A 68 6.303 -14.752 9.938 1.00 10.00 N ATOM 1066 CA PRO A 68 7.473 -14.352 9.134 1.00 10.00 C ATOM 1067 C PRO A 68 7.135 -14.080 7.651 1.00 10.00 C ATOM 1068 O PRO A 68 7.779 -14.577 6.730 1.00 10.00 O ATOM 1069 CB PRO A 68 8.492 -15.482 9.338 1.00 10.00 C ATOM 1070 CG PRO A 68 7.602 -16.712 9.475 1.00 10.00 C ATOM 1071 CD PRO A 68 6.428 -16.166 10.283 1.00 10.00 C ATOM 0 HA PRO A 68 7.875 -13.392 9.459 1.00 10.00 H new ATOM 0 HB2 PRO A 68 9.176 -15.569 8.494 1.00 10.00 H new ATOM 0 HB3 PRO A 68 9.102 -15.322 10.227 1.00 10.00 H new ATOM 0 HG2 PRO A 68 7.286 -17.097 8.505 1.00 10.00 H new ATOM 0 HG3 PRO A 68 8.109 -17.527 9.992 1.00 10.00 H new ATOM 0 HD2 PRO A 68 5.511 -16.705 10.046 1.00 10.00 H new ATOM 0 HD3 PRO A 68 6.603 -16.290 11.352 1.00 10.00 H new ATOM 1079 N GLY A 69 6.088 -13.286 7.441 1.00 10.00 N ATOM 1080 CA GLY A 69 5.518 -12.900 6.150 1.00 10.00 C ATOM 1081 C GLY A 69 4.274 -12.003 6.247 1.00 10.00 C ATOM 1082 O GLY A 69 3.703 -11.660 5.216 1.00 10.00 O ATOM 0 H GLY A 69 5.580 -12.866 8.220 1.00 10.00 H new ATOM 0 HA2 GLY A 69 6.281 -12.380 5.571 1.00 10.00 H new ATOM 0 HA3 GLY A 69 5.258 -13.803 5.597 1.00 10.00 H new ATOM 1086 N ILE A 70 3.850 -11.578 7.448 1.00 10.00 N ATOM 1087 CA ILE A 70 2.611 -10.816 7.648 1.00 10.00 C ATOM 1088 C ILE A 70 2.593 -9.439 6.954 1.00 10.00 C ATOM 1089 O ILE A 70 1.526 -8.889 6.682 1.00 10.00 O ATOM 1090 CB ILE A 70 2.336 -10.747 9.165 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.835 -10.583 9.448 1.00 10.00 C ATOM 1092 CG2 ILE A 70 3.168 -9.669 9.893 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.401 -11.399 10.671 1.00 10.00 C ATOM 0 H ILE A 70 4.362 -11.756 8.312 1.00 10.00 H new ATOM 0 HA ILE A 70 1.794 -11.339 7.152 1.00 10.00 H new ATOM 0 HB ILE A 70 2.663 -11.702 9.576 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.608 -9.530 9.613 1.00 10.00 H new ATOM 0 HG13 ILE A 70 0.263 -10.900 8.576 1.00 10.00 H new ATOM 0 HG21 ILE A 70 2.924 -9.677 10.955 1.00 10.00 H new ATOM 0 HG22 ILE A 70 4.230 -9.880 9.763 1.00 10.00 H new ATOM 0 HG23 ILE A 70 2.939 -8.689 9.475 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -0.666 -11.259 10.842 1.00 10.00 H new ATOM 0 HD12 ILE A 70 0.605 -12.455 10.495 1.00 10.00 H new ATOM 0 HD13 ILE A 70 0.955 -11.064 11.548 1.00 10.00 H new ATOM 1105 N VAL A 71 3.775 -8.900 6.624 1.00 10.00 N ATOM 1106 CA VAL A 71 3.944 -7.714 5.777 1.00 10.00 C ATOM 1107 C VAL A 71 3.971 -8.053 4.285 1.00 10.00 C ATOM 1108 O VAL A 71 3.441 -7.279 3.494 1.00 10.00 O ATOM 1109 CB VAL A 71 5.194 -6.923 6.200 1.00 10.00 C ATOM 1110 CG1 VAL A 71 6.513 -7.695 6.046 1.00 10.00 C ATOM 1111 CG2 VAL A 71 5.309 -5.583 5.461 1.00 10.00 C ATOM 0 H VAL A 71 4.661 -9.287 6.948 1.00 10.00 H new ATOM 0 HA VAL A 71 3.068 -7.082 5.927 1.00 10.00 H new ATOM 0 HB VAL A 71 5.043 -6.745 7.265 1.00 10.00 H new ATOM 0 HG11 VAL A 71 7.343 -7.065 6.366 1.00 10.00 H new ATOM 0 HG12 VAL A 71 6.482 -8.594 6.661 1.00 10.00 H new ATOM 0 HG13 VAL A 71 6.651 -7.974 5.002 1.00 10.00 H new ATOM 0 HG21 VAL A 71 6.206 -5.061 5.793 1.00 10.00 H new ATOM 0 HG22 VAL A 71 5.370 -5.763 4.388 1.00 10.00 H new ATOM 0 HG23 VAL A 71 4.433 -4.972 5.677 1.00 10.00 H new ATOM 1121 N ASP A 72 4.495 -9.221 3.892 1.00 10.00 N ATOM 1122 CA ASP A 72 4.403 -9.711 2.513 1.00 10.00 C ATOM 1123 C ASP A 72 2.932 -9.875 2.107 1.00 10.00 C ATOM 1124 O ASP A 72 2.555 -9.458 1.013 1.00 10.00 O ATOM 1125 CB ASP A 72 5.201 -11.012 2.357 1.00 10.00 C ATOM 1126 CG ASP A 72 5.393 -11.394 0.889 1.00 10.00 C ATOM 1127 OD1 ASP A 72 6.071 -10.613 0.185 1.00 10.00 O ATOM 1128 OD2 ASP A 72 4.886 -12.469 0.502 1.00 10.00 O ATOM 0 H ASP A 72 4.993 -9.851 4.521 1.00 10.00 H new ATOM 0 HA ASP A 72 4.845 -8.980 1.837 1.00 10.00 H new ATOM 0 HB2 ASP A 72 6.175 -10.899 2.833 1.00 10.00 H new ATOM 0 HB3 ASP A 72 4.684 -11.819 2.877 1.00 10.00 H new ATOM 1133 N GLU A 73 2.074 -10.299 3.054 1.00 10.00 N ATOM 1134 CA GLU A 73 0.625 -10.314 2.843 1.00 10.00 C ATOM 1135 C GLU A 73 0.094 -8.884 2.641 1.00 10.00 C ATOM 1136 O GLU A 73 -0.755 -8.679 1.776 1.00 10.00 O ATOM 1137 CB GLU A 73 -0.129 -10.836 4.082 1.00 10.00 C ATOM 1138 CG GLU A 73 -0.074 -12.299 4.522 1.00 10.00 C ATOM 1139 CD GLU A 73 -0.880 -12.471 5.834 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -2.086 -12.107 5.878 1.00 10.00 O ATOM 1141 OE2 GLU A 73 -0.279 -12.949 6.819 1.00 10.00 O ATOM 0 H GLU A 73 2.366 -10.635 3.972 1.00 10.00 H new ATOM 0 HA GLU A 73 0.460 -10.953 1.975 1.00 10.00 H new ATOM 0 HB2 GLU A 73 0.215 -10.243 4.929 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -1.181 -10.595 3.931 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -0.485 -12.941 3.743 1.00 10.00 H new ATOM 0 HG3 GLU A 73 0.961 -12.606 4.675 1.00 10.00 H new ATOM 1148 N ALA A 74 0.579 -7.888 3.401 1.00 10.00 N ATOM 1149 CA ALA A 74 0.079 -6.517 3.301 1.00 10.00 C ATOM 1150 C ALA A 74 0.442 -5.859 1.967 1.00 10.00 C ATOM 1151 O ALA A 74 -0.403 -5.208 1.349 1.00 10.00 O ATOM 1152 CB ALA A 74 0.612 -5.684 4.474 1.00 10.00 C ATOM 0 H ALA A 74 1.319 -8.013 4.092 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.009 -6.559 3.346 1.00 10.00 H new ATOM 0 HB1 ALA A 74 0.237 -4.664 4.396 1.00 10.00 H new ATOM 0 HB2 ALA A 74 0.277 -6.123 5.414 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.702 -5.673 4.447 1.00 10.00 H new ATOM 1158 N VAL A 75 1.689 -6.033 1.515 1.00 10.00 N ATOM 1159 CA VAL A 75 2.143 -5.445 0.252 1.00 10.00 C ATOM 1160 C VAL A 75 1.511 -6.181 -0.944 1.00 10.00 C ATOM 1161 O VAL A 75 0.999 -5.520 -1.844 1.00 10.00 O ATOM 1162 CB VAL A 75 3.682 -5.367 0.186 1.00 10.00 C ATOM 1163 CG1 VAL A 75 4.113 -4.475 -0.977 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.286 -4.707 1.441 1.00 10.00 C ATOM 0 H VAL A 75 2.400 -6.576 2.005 1.00 10.00 H new ATOM 0 HA VAL A 75 1.797 -4.413 0.199 1.00 10.00 H new ATOM 0 HB VAL A 75 4.028 -6.395 0.084 1.00 10.00 H new ATOM 0 HG11 VAL A 75 5.201 -4.427 -1.015 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.736 -4.889 -1.912 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.710 -3.472 -0.835 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.372 -4.675 1.348 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.900 -3.693 1.540 1.00 10.00 H new ATOM 0 HG23 VAL A 75 4.014 -5.286 2.323 1.00 10.00 H new ATOM 1174 N ASP A 76 1.401 -7.517 -0.911 1.00 10.00 N ATOM 1175 CA ASP A 76 0.639 -8.317 -1.881 1.00 10.00 C ATOM 1176 C ASP A 76 -0.843 -7.908 -1.918 1.00 10.00 C ATOM 1177 O ASP A 76 -1.390 -7.706 -3.005 1.00 10.00 O ATOM 1178 CB ASP A 76 0.797 -9.801 -1.517 1.00 10.00 C ATOM 1179 CG ASP A 76 0.042 -10.725 -2.468 1.00 10.00 C ATOM 1180 OD1 ASP A 76 0.603 -11.121 -3.514 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -1.135 -11.036 -2.188 1.00 10.00 O ATOM 0 H ASP A 76 1.850 -8.085 -0.192 1.00 10.00 H new ATOM 0 HA ASP A 76 1.032 -8.138 -2.882 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.855 -10.062 -1.527 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.438 -9.962 -0.500 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.473 -7.677 -0.760 1.00 10.00 N ATOM 1187 CA ALA A 77 -2.835 -7.161 -0.700 1.00 10.00 C ATOM 1188 C ALA A 77 -2.944 -5.758 -1.308 1.00 10.00 C ATOM 1189 O ALA A 77 -3.897 -5.504 -2.041 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.331 -7.182 0.746 1.00 10.00 C ATOM 0 H ALA A 77 -1.051 -7.843 0.154 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.473 -7.809 -1.301 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.349 -6.796 0.787 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.316 -8.205 1.121 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.682 -6.560 1.362 1.00 10.00 H new ATOM 1196 N ALA A 78 -1.971 -4.867 -1.077 1.00 10.00 N ATOM 1197 CA ALA A 78 -1.923 -3.567 -1.746 1.00 10.00 C ATOM 1198 C ALA A 78 -1.764 -3.700 -3.270 1.00 10.00 C ATOM 1199 O ALA A 78 -2.513 -3.056 -4.004 1.00 10.00 O ATOM 1200 CB ALA A 78 -0.819 -2.710 -1.124 1.00 10.00 C ATOM 0 H ALA A 78 -1.202 -5.028 -0.426 1.00 10.00 H new ATOM 0 HA ALA A 78 -2.879 -3.066 -1.593 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.785 -1.742 -1.624 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.026 -2.564 -0.064 1.00 10.00 H new ATOM 0 HB3 ALA A 78 0.141 -3.213 -1.241 1.00 10.00 H new ATOM 1206 N TYR A 79 -0.868 -4.573 -3.756 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.708 -4.826 -5.192 1.00 10.00 C ATOM 1208 C TYR A 79 -1.991 -5.394 -5.831 1.00 10.00 C ATOM 1209 O TYR A 79 -2.413 -4.918 -6.888 1.00 10.00 O ATOM 1210 CB TYR A 79 0.459 -5.807 -5.422 1.00 10.00 C ATOM 1211 CG TYR A 79 1.871 -5.296 -5.165 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.372 -4.207 -5.912 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.723 -5.972 -4.263 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.710 -3.787 -5.761 1.00 10.00 C ATOM 1215 CE2 TYR A 79 4.074 -5.589 -4.155 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.570 -4.486 -4.883 1.00 10.00 C ATOM 1217 OH TYR A 79 5.871 -4.115 -4.716 1.00 10.00 O ATOM 0 H TYR A 79 -0.239 -5.119 -3.167 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.496 -3.869 -5.669 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.296 -6.678 -4.787 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.409 -6.152 -6.455 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.724 -3.691 -6.605 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.339 -6.780 -3.658 1.00 10.00 H new ATOM 0 HE1 TYR A 79 4.076 -2.935 -6.314 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.737 -6.145 -3.509 1.00 10.00 H new ATOM 0 HH TYR A 79 6.302 -4.715 -4.072 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.665 -6.350 -5.168 1.00 10.00 N ATOM 1228 CA ARG A 80 -3.925 -6.934 -5.661 1.00 10.00 C ATOM 1229 C ARG A 80 -5.098 -5.964 -5.547 1.00 10.00 C ATOM 1230 O ARG A 80 -5.932 -5.927 -6.453 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.246 -8.246 -4.930 1.00 10.00 C ATOM 1232 CG ARG A 80 -3.246 -9.347 -5.305 1.00 10.00 C ATOM 1233 CD ARG A 80 -3.575 -10.667 -4.599 1.00 10.00 C ATOM 1234 NE ARG A 80 -2.375 -11.508 -4.527 1.00 10.00 N ATOM 1235 CZ ARG A 80 -1.821 -12.252 -5.469 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -2.460 -12.584 -6.567 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -0.586 -12.652 -5.317 1.00 10.00 N ATOM 0 H ARG A 80 -2.353 -6.739 -4.278 1.00 10.00 H new ATOM 0 HA ARG A 80 -3.778 -7.146 -6.720 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.222 -8.081 -3.853 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -5.257 -8.568 -5.181 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -3.257 -9.498 -6.384 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -2.238 -9.031 -5.037 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -3.951 -10.469 -3.595 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -4.365 -11.191 -5.138 1.00 10.00 H new ATOM 0 HE ARG A 80 -1.902 -11.520 -3.623 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -3.418 -12.266 -6.716 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -1.999 -13.160 -7.271 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -0.064 -12.390 -4.481 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -0.144 -13.227 -6.035 1.00 10.00 H new ATOM 1251 N SER A 81 -5.137 -5.148 -4.490 1.00 10.00 N ATOM 1252 CA SER A 81 -6.121 -4.077 -4.323 1.00 10.00 C ATOM 1253 C SER A 81 -5.958 -3.042 -5.433 1.00 10.00 C ATOM 1254 O SER A 81 -6.952 -2.659 -6.046 1.00 10.00 O ATOM 1255 CB SER A 81 -5.942 -3.409 -2.951 1.00 10.00 C ATOM 1256 OG SER A 81 -6.846 -2.335 -2.784 1.00 10.00 O ATOM 0 H SER A 81 -4.476 -5.214 -3.716 1.00 10.00 H new ATOM 0 HA SER A 81 -7.122 -4.503 -4.381 1.00 10.00 H new ATOM 0 HB2 SER A 81 -6.098 -4.145 -2.162 1.00 10.00 H new ATOM 0 HB3 SER A 81 -4.919 -3.046 -2.851 1.00 10.00 H new ATOM 0 HG SER A 81 -6.712 -1.929 -1.902 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.717 -2.656 -5.762 1.00 10.00 N ATOM 1263 CA LEU A 82 -4.465 -1.656 -6.793 1.00 10.00 C ATOM 1264 C LEU A 82 -4.871 -2.134 -8.186 1.00 10.00 C ATOM 1265 O LEU A 82 -5.626 -1.429 -8.850 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.963 -1.338 -6.778 1.00 10.00 C ATOM 1267 CG LEU A 82 -2.531 -0.200 -7.721 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -3.180 1.142 -7.357 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -1.009 -0.049 -7.705 1.00 10.00 C ATOM 0 H LEU A 82 -3.874 -3.026 -5.324 1.00 10.00 H new ATOM 0 HA LEU A 82 -5.067 -0.774 -6.576 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.672 -1.077 -5.760 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -2.413 -2.240 -7.045 1.00 10.00 H new ATOM 0 HG LEU A 82 -2.870 -0.472 -8.721 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -2.842 1.910 -8.053 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -4.264 1.050 -7.417 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.895 1.421 -6.342 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -0.716 0.759 -8.376 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -0.677 0.182 -6.693 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -0.548 -0.980 -8.035 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.490 -3.349 -8.602 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.855 -3.799 -9.952 1.00 10.00 C ATOM 1283 C GLU A 83 -6.353 -4.143 -10.026 1.00 10.00 C ATOM 1284 O GLU A 83 -6.970 -3.945 -11.069 1.00 10.00 O ATOM 1285 CB GLU A 83 -3.945 -4.941 -10.428 1.00 10.00 C ATOM 1286 CG GLU A 83 -3.874 -5.041 -11.966 1.00 10.00 C ATOM 1287 CD GLU A 83 -3.068 -3.903 -12.636 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -1.842 -4.087 -12.802 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -3.663 -2.861 -13.005 1.00 10.00 O ATOM 0 H GLU A 83 -3.951 -4.015 -8.049 1.00 10.00 H new ATOM 0 HA GLU A 83 -4.690 -2.978 -10.649 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -2.941 -4.790 -10.031 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.310 -5.885 -10.023 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -3.426 -5.997 -12.237 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -4.888 -5.039 -12.367 1.00 10.00 H new ATOM 1296 N SER A 84 -6.966 -4.559 -8.904 1.00 10.00 N ATOM 1297 CA SER A 84 -8.426 -4.690 -8.808 1.00 10.00 C ATOM 1298 C SER A 84 -9.102 -3.324 -8.961 1.00 10.00 C ATOM 1299 O SER A 84 -9.983 -3.177 -9.794 1.00 10.00 O ATOM 1300 CB SER A 84 -8.863 -5.322 -7.479 1.00 10.00 C ATOM 1301 OG SER A 84 -8.226 -6.563 -7.259 1.00 10.00 O ATOM 0 H SER A 84 -6.469 -4.810 -8.050 1.00 10.00 H new ATOM 0 HA SER A 84 -8.736 -5.349 -9.619 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.631 -4.643 -6.659 1.00 10.00 H new ATOM 0 HB3 SER A 84 -9.944 -5.462 -7.480 1.00 10.00 H new ATOM 0 HG SER A 84 -7.453 -6.434 -6.671 1.00 10.00 H new ATOM 1307 N PHE A 85 -8.669 -2.300 -8.216 1.00 10.00 N ATOM 1308 CA PHE A 85 -9.201 -0.935 -8.301 1.00 10.00 C ATOM 1309 C PHE A 85 -9.016 -0.317 -9.697 1.00 10.00 C ATOM 1310 O PHE A 85 -9.895 0.397 -10.185 1.00 10.00 O ATOM 1311 CB PHE A 85 -8.512 -0.100 -7.212 1.00 10.00 C ATOM 1312 CG PHE A 85 -8.948 1.347 -7.097 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -8.372 2.325 -7.929 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -9.875 1.731 -6.109 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -8.689 3.683 -7.751 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -10.203 3.089 -5.938 1.00 10.00 C ATOM 1317 CZ PHE A 85 -9.602 4.066 -6.752 1.00 10.00 C ATOM 0 H PHE A 85 -7.926 -2.399 -7.525 1.00 10.00 H new ATOM 0 HA PHE A 85 -10.279 -0.953 -8.138 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -8.681 -0.585 -6.251 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -7.438 -0.120 -7.395 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -7.684 2.031 -8.707 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -10.335 0.982 -5.481 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -8.232 4.432 -8.381 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -10.916 3.381 -5.182 1.00 10.00 H new ATOM 0 HZ PHE A 85 -9.841 5.110 -6.610 1.00 10.00 H new ATOM 1327 N LEU A 86 -7.894 -0.611 -10.366 1.00 10.00 N ATOM 1328 CA LEU A 86 -7.660 -0.209 -11.751 1.00 10.00 C ATOM 1329 C LEU A 86 -8.578 -0.917 -12.768 1.00 10.00 C ATOM 1330 O LEU A 86 -8.629 -0.452 -13.911 1.00 10.00 O ATOM 1331 CB LEU A 86 -6.166 -0.353 -12.118 1.00 10.00 C ATOM 1332 CG LEU A 86 -5.265 0.877 -11.854 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -5.793 2.159 -12.505 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -5.012 1.198 -10.387 1.00 10.00 C ATOM 0 H LEU A 86 -7.122 -1.137 -9.956 1.00 10.00 H new ATOM 0 HA LEU A 86 -7.929 0.845 -11.816 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -5.759 -1.198 -11.563 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -6.098 -0.604 -13.177 1.00 10.00 H new ATOM 0 HG LEU A 86 -4.325 0.565 -12.308 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -5.117 2.985 -12.283 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -5.854 2.020 -13.584 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -6.784 2.385 -12.112 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -4.370 2.076 -10.312 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -5.961 1.399 -9.890 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -4.523 0.350 -9.908 1.00 10.00 H new