USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 605 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 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0.705 K(o=0.7,f=-0.6) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.201 K(o=-0.2,f=-1.2!) USER MOD Single : A 28 HIS : no HD1:sc= 0.0619 K(o=0.062,f=-2.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -130:sc= 0.742 USER MOD Single : A 36 SER OG : rot -81:sc= 0.0453 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -107:sc= 0.0124 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 108:sc= 1.21 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -19:sc= 0.109 USER MOD Single : A 53 ASN : amide:sc=-0.00918 K(o=-0.0092,f=-1) USER MOD Single : A 54 SER OG : rot -30:sc= -0.9! USER MOD Single : A 65 ASN : amide:sc= -0.295 X(o=-0.3,f=-0.003) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -171:sc=-0.00698 (180deg=-0.129) USER MOD Single : A 72 THR OG1 : rot -13:sc= -1.54! USER MOD Single : A 75 MET CE :methyl 176:sc= -0.668 (180deg=-0.686) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.143 K(o=-0.14,f=-0.97) USER MOD Single : A 87 GLN : amide:sc= -0.0123 K(o=-0.012,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 2.537 4.822 2.023 1.00 0.00 N ATOM 158 CA TYR A 14 2.174 3.758 2.929 1.00 0.00 C ATOM 159 C TYR A 14 2.344 2.396 2.270 1.00 0.00 C ATOM 160 O TYR A 14 2.528 2.298 1.053 1.00 0.00 O ATOM 161 CB TYR A 14 0.760 3.967 3.474 1.00 0.00 C ATOM 162 CG TYR A 14 0.632 5.218 4.329 1.00 0.00 C ATOM 163 CD1 TYR A 14 0.331 6.450 3.762 1.00 0.00 C ATOM 164 CD2 TYR A 14 0.826 5.164 5.698 1.00 0.00 C ATOM 165 CE1 TYR A 14 0.227 7.589 4.537 1.00 0.00 C ATOM 166 CE2 TYR A 14 0.721 6.297 6.482 1.00 0.00 C ATOM 167 CZ TYR A 14 0.423 7.505 5.896 1.00 0.00 C ATOM 168 OH TYR A 14 0.330 8.636 6.674 1.00 0.00 O ATOM 0 HA TYR A 14 2.853 3.783 3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.061 4.030 2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.472 3.098 4.066 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.175 6.519 2.695 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.064 4.218 6.162 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.007 8.539 4.079 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.872 6.234 7.550 1.00 0.00 H new ATOM 0 HH TYR A 14 0.495 8.403 7.611 1.00 0.00 H new ATOM 178 N ILE A 15 2.266 1.356 3.065 1.00 0.00 N ATOM 179 CA ILE A 15 2.552 0.009 2.609 1.00 0.00 C ATOM 180 C ILE A 15 1.283 -0.829 2.523 1.00 0.00 C ATOM 181 O ILE A 15 0.244 -0.473 3.063 1.00 0.00 O ATOM 182 CB ILE A 15 3.527 -0.677 3.573 1.00 0.00 C ATOM 183 CG1 ILE A 15 2.815 -0.997 4.883 1.00 0.00 C ATOM 184 CG2 ILE A 15 4.730 0.210 3.811 1.00 0.00 C ATOM 185 CD1 ILE A 15 3.703 -1.572 5.939 1.00 0.00 C ATOM 0 H ILE A 15 2.002 1.416 4.049 1.00 0.00 H new ATOM 0 HA ILE A 15 2.994 0.086 1.616 1.00 0.00 H new ATOM 0 HB ILE A 15 3.876 -1.611 3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.357 -0.085 5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.007 -1.700 4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.417 -0.285 4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.236 0.399 2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.405 1.156 4.244 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.119 -1.771 6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.142 -2.502 5.578 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.497 -0.863 6.172 1.00 0.00 H new ATOM 197 N LYS A 16 1.382 -1.913 1.811 1.00 0.00 N ATOM 198 CA LYS A 16 0.270 -2.818 1.593 1.00 0.00 C ATOM 199 C LYS A 16 0.233 -3.917 2.627 1.00 0.00 C ATOM 200 O LYS A 16 1.267 -4.334 3.132 1.00 0.00 O ATOM 201 CB LYS A 16 0.410 -3.430 0.229 1.00 0.00 C ATOM 202 CG LYS A 16 -0.020 -2.528 -0.899 1.00 0.00 C ATOM 203 CD LYS A 16 0.673 -2.906 -2.191 1.00 0.00 C ATOM 204 CE LYS A 16 0.384 -4.340 -2.590 1.00 0.00 C ATOM 205 NZ LYS A 16 1.192 -4.746 -3.757 1.00 0.00 N ATOM 0 H LYS A 16 2.246 -2.206 1.355 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.657 -2.250 1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.451 -3.714 0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.179 -4.346 0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.100 -2.593 -1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.209 -1.492 -0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.348 -2.235 -2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.749 -2.770 -2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.595 -5.003 -1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.675 -4.448 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.972 -5.732 -4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.972 -4.128 -4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.202 -4.665 -3.525 1.00 0.00 H new ATOM 219 N ILE A 17 -0.957 -4.351 2.951 1.00 0.00 N ATOM 220 CA ILE A 17 -1.169 -5.458 3.857 1.00 0.00 C ATOM 221 C ILE A 17 -2.289 -6.341 3.364 1.00 0.00 C ATOM 222 O ILE A 17 -3.302 -5.847 2.858 1.00 0.00 O ATOM 223 CB ILE A 17 -1.476 -4.973 5.284 1.00 0.00 C ATOM 224 CG1 ILE A 17 -0.193 -4.589 5.984 1.00 0.00 C ATOM 225 CG2 ILE A 17 -2.223 -6.028 6.083 1.00 0.00 C ATOM 226 CD1 ILE A 17 0.752 -5.756 6.194 1.00 0.00 C ATOM 0 H ILE A 17 -1.819 -3.943 2.590 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.244 -6.034 3.887 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.122 -4.098 5.213 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.314 -3.821 5.400 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.434 -4.148 6.951 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.423 -5.651 7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.166 -6.260 5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.617 -6.931 6.149 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.652 -5.409 6.701 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.262 -6.516 6.803 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.022 -6.184 5.229 1.00 0.00 H new ATOM 238 N LYS A 18 -2.113 -7.642 3.483 1.00 0.00 N ATOM 239 CA LYS A 18 -3.148 -8.546 3.083 1.00 0.00 C ATOM 240 C LYS A 18 -3.886 -9.052 4.310 1.00 0.00 C ATOM 241 O LYS A 18 -3.364 -9.885 5.054 1.00 0.00 O ATOM 242 CB LYS A 18 -2.590 -9.742 2.311 1.00 0.00 C ATOM 243 CG LYS A 18 -1.383 -9.439 1.429 1.00 0.00 C ATOM 244 CD LYS A 18 -1.145 -10.564 0.433 1.00 0.00 C ATOM 245 CE LYS A 18 -0.874 -11.888 1.120 1.00 0.00 C ATOM 246 NZ LYS A 18 -0.682 -12.981 0.140 1.00 0.00 N ATOM 0 H LYS A 18 -1.270 -8.083 3.850 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.826 -8.001 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.313 -10.518 3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.383 -10.153 1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.543 -8.502 0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.498 -9.304 2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.016 -10.664 -0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.300 -10.308 -0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.014 -11.799 1.745 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.706 -12.133 1.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.499 -13.872 0.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.539 -13.082 -0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.127 -12.758 -0.474 1.00 0.00 H new ATOM 260 N VAL A 19 -5.083 -8.549 4.522 1.00 0.00 N ATOM 261 CA VAL A 19 -5.911 -9.007 5.608 1.00 0.00 C ATOM 262 C VAL A 19 -6.582 -10.292 5.184 1.00 0.00 C ATOM 263 O VAL A 19 -7.395 -10.293 4.265 1.00 0.00 O ATOM 264 CB VAL A 19 -7.005 -7.959 5.965 1.00 0.00 C ATOM 265 CG1 VAL A 19 -7.984 -8.527 6.973 1.00 0.00 C ATOM 266 CG2 VAL A 19 -6.380 -6.674 6.502 1.00 0.00 C ATOM 0 H VAL A 19 -5.504 -7.817 3.950 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.286 -9.160 6.488 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.547 -7.719 5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.740 -7.778 7.208 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.466 -9.410 6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.451 -8.802 7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.167 -5.960 6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.805 -6.897 7.401 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.721 -6.246 5.746 1.00 0.00 H new ATOM 276 N VAL A 20 -6.236 -11.378 5.838 1.00 0.00 N ATOM 277 CA VAL A 20 -6.780 -12.665 5.495 1.00 0.00 C ATOM 278 C VAL A 20 -7.733 -13.140 6.569 1.00 0.00 C ATOM 279 O VAL A 20 -7.352 -13.310 7.732 1.00 0.00 O ATOM 280 CB VAL A 20 -5.658 -13.719 5.317 1.00 0.00 C ATOM 281 CG1 VAL A 20 -6.237 -15.075 4.932 1.00 0.00 C ATOM 282 CG2 VAL A 20 -4.640 -13.256 4.287 1.00 0.00 C ATOM 0 H VAL A 20 -5.575 -11.391 6.615 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.314 -12.552 4.552 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.148 -13.830 6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.428 -15.796 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.915 -15.416 5.714 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.783 -14.984 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.862 -14.012 4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.135 -13.106 3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.192 -12.318 4.615 1.00 0.00 H new ATOM 292 N GLY A 21 -8.972 -13.330 6.188 1.00 0.00 N ATOM 293 CA GLY A 21 -9.944 -13.844 7.112 1.00 0.00 C ATOM 294 C GLY A 21 -9.897 -15.354 7.164 1.00 0.00 C ATOM 295 O GLY A 21 -9.212 -15.983 6.358 1.00 0.00 O ATOM 0 H GLY A 21 -9.326 -13.137 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.757 -13.436 8.106 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.941 -13.518 6.816 1.00 0.00 H new ATOM 299 N GLN A 22 -10.645 -15.943 8.072 1.00 0.00 N ATOM 300 CA GLN A 22 -10.623 -17.391 8.257 1.00 0.00 C ATOM 301 C GLN A 22 -11.333 -18.112 7.134 1.00 0.00 C ATOM 302 O GLN A 22 -11.125 -19.302 6.905 1.00 0.00 O ATOM 303 CB GLN A 22 -11.214 -17.777 9.594 1.00 0.00 C ATOM 304 CG GLN A 22 -10.451 -17.215 10.785 1.00 0.00 C ATOM 305 CD GLN A 22 -9.000 -17.671 10.832 1.00 0.00 C ATOM 306 OE1 GLN A 22 -8.664 -18.775 10.406 1.00 0.00 O ATOM 307 NE2 GLN A 22 -8.131 -16.813 11.334 1.00 0.00 N ATOM 0 H GLN A 22 -11.279 -15.447 8.698 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.578 -17.701 8.239 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.246 -17.430 9.639 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.239 -18.864 9.670 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.483 -16.126 10.748 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.951 -17.518 11.705 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.449 -15.907 11.677 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.141 -17.056 11.378 1.00 0.00 H new ATOM 316 N ASP A 23 -12.153 -17.384 6.435 1.00 0.00 N ATOM 317 CA ASP A 23 -12.861 -17.906 5.278 1.00 0.00 C ATOM 318 C ASP A 23 -11.975 -17.779 4.053 1.00 0.00 C ATOM 319 O ASP A 23 -12.433 -17.928 2.919 1.00 0.00 O ATOM 320 CB ASP A 23 -14.158 -17.133 5.049 1.00 0.00 C ATOM 321 CG ASP A 23 -15.111 -17.214 6.217 1.00 0.00 C ATOM 322 OD1 ASP A 23 -15.612 -18.316 6.508 1.00 0.00 O ATOM 323 OD2 ASP A 23 -15.363 -16.170 6.849 1.00 0.00 O ATOM 0 H ASP A 23 -12.358 -16.407 6.643 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.106 -18.953 5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.921 -16.087 4.853 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.652 -17.520 4.158 1.00 0.00 H new ATOM 328 N SER A 24 -10.694 -17.486 4.309 1.00 0.00 N ATOM 329 CA SER A 24 -9.694 -17.279 3.271 1.00 0.00 C ATOM 330 C SER A 24 -10.006 -16.017 2.493 1.00 0.00 C ATOM 331 O SER A 24 -9.616 -15.863 1.334 1.00 0.00 O ATOM 332 CB SER A 24 -9.613 -18.493 2.340 1.00 0.00 C ATOM 333 OG SER A 24 -9.292 -19.666 3.074 1.00 0.00 O ATOM 0 H SER A 24 -10.325 -17.386 5.255 1.00 0.00 H new ATOM 0 HA SER A 24 -8.719 -17.161 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.565 -18.628 1.826 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.858 -18.320 1.573 1.00 0.00 H new ATOM 0 HG SER A 24 -9.246 -20.431 2.464 1.00 0.00 H new ATOM 339 N ASN A 25 -10.678 -15.093 3.159 1.00 0.00 N ATOM 340 CA ASN A 25 -11.030 -13.828 2.538 1.00 0.00 C ATOM 341 C ASN A 25 -9.935 -12.833 2.755 1.00 0.00 C ATOM 342 O ASN A 25 -9.777 -12.290 3.841 1.00 0.00 O ATOM 343 CB ASN A 25 -12.355 -13.282 3.071 1.00 0.00 C ATOM 344 CG ASN A 25 -13.552 -14.089 2.605 1.00 0.00 C ATOM 345 OD1 ASN A 25 -13.522 -14.703 1.538 1.00 0.00 O ATOM 346 ND2 ASN A 25 -14.611 -14.086 3.390 1.00 0.00 N ATOM 0 H ASN A 25 -10.989 -15.194 4.125 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.155 -14.004 1.470 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.328 -13.276 4.161 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -12.472 -12.247 2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -15.447 -14.606 3.121 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -14.595 -13.564 4.266 1.00 0.00 H new ATOM 353 N GLU A 26 -9.175 -12.617 1.728 1.00 0.00 N ATOM 354 CA GLU A 26 -8.048 -11.723 1.777 1.00 0.00 C ATOM 355 C GLU A 26 -8.358 -10.419 1.067 1.00 0.00 C ATOM 356 O GLU A 26 -8.907 -10.413 -0.037 1.00 0.00 O ATOM 357 CB GLU A 26 -6.827 -12.386 1.151 1.00 0.00 C ATOM 358 CG GLU A 26 -5.589 -11.512 1.128 1.00 0.00 C ATOM 359 CD GLU A 26 -4.438 -12.165 0.408 1.00 0.00 C ATOM 360 OE1 GLU A 26 -3.969 -11.595 -0.598 1.00 0.00 O ATOM 361 OE2 GLU A 26 -4.007 -13.262 0.827 1.00 0.00 O ATOM 0 H GLU A 26 -9.316 -13.058 0.819 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.835 -11.498 2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.602 -13.300 1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.070 -12.679 0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.826 -10.564 0.644 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.291 -11.282 2.151 1.00 0.00 H new ATOM 368 N VAL A 27 -8.024 -9.329 1.710 1.00 0.00 N ATOM 369 CA VAL A 27 -8.217 -8.009 1.153 1.00 0.00 C ATOM 370 C VAL A 27 -6.988 -7.166 1.416 1.00 0.00 C ATOM 371 O VAL A 27 -6.362 -7.278 2.470 1.00 0.00 O ATOM 372 CB VAL A 27 -9.489 -7.326 1.723 1.00 0.00 C ATOM 373 CG1 VAL A 27 -9.419 -7.231 3.233 1.00 0.00 C ATOM 374 CG2 VAL A 27 -9.692 -5.949 1.105 1.00 0.00 C ATOM 0 H VAL A 27 -7.608 -9.330 2.641 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.363 -8.107 0.077 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.348 -7.944 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.321 -6.749 3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.338 -8.232 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.547 -6.644 3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.590 -5.492 1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.829 -5.320 1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.802 -6.048 0.025 1.00 0.00 H new ATOM 384 N HIS A 28 -6.623 -6.352 0.459 1.00 0.00 N ATOM 385 CA HIS A 28 -5.430 -5.559 0.579 1.00 0.00 C ATOM 386 C HIS A 28 -5.738 -4.173 1.098 1.00 0.00 C ATOM 387 O HIS A 28 -6.488 -3.413 0.489 1.00 0.00 O ATOM 388 CB HIS A 28 -4.697 -5.469 -0.760 1.00 0.00 C ATOM 389 CG HIS A 28 -4.161 -6.783 -1.252 1.00 0.00 C ATOM 390 ND1 HIS A 28 -3.638 -6.957 -2.514 1.00 0.00 N ATOM 391 CD2 HIS A 28 -4.080 -7.994 -0.648 1.00 0.00 C ATOM 392 CE1 HIS A 28 -3.261 -8.214 -2.664 1.00 0.00 C ATOM 393 NE2 HIS A 28 -3.519 -8.862 -1.546 1.00 0.00 N ATOM 0 H HIS A 28 -7.137 -6.222 -0.413 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.781 -6.056 1.300 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -5.377 -5.063 -1.508 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.871 -4.764 -0.664 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.399 -8.230 0.356 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -2.817 -8.639 -3.552 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.331 -9.850 -1.377 1.00 0.00 H new ATOM 401 N PHE A 29 -5.168 -3.871 2.229 1.00 0.00 N ATOM 402 CA PHE A 29 -5.270 -2.562 2.831 1.00 0.00 C ATOM 403 C PHE A 29 -3.950 -1.844 2.758 1.00 0.00 C ATOM 404 O PHE A 29 -2.893 -2.466 2.720 1.00 0.00 O ATOM 405 CB PHE A 29 -5.716 -2.645 4.289 1.00 0.00 C ATOM 406 CG PHE A 29 -7.184 -2.850 4.480 1.00 0.00 C ATOM 407 CD1 PHE A 29 -7.723 -4.115 4.589 1.00 0.00 C ATOM 408 CD2 PHE A 29 -8.031 -1.758 4.560 1.00 0.00 C ATOM 409 CE1 PHE A 29 -9.073 -4.288 4.775 1.00 0.00 C ATOM 410 CE2 PHE A 29 -9.383 -1.927 4.745 1.00 0.00 C ATOM 411 CZ PHE A 29 -9.903 -3.194 4.853 1.00 0.00 C ATOM 0 H PHE A 29 -4.611 -4.532 2.770 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.022 -2.008 2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.182 -3.463 4.772 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.421 -1.727 4.798 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.077 -4.978 4.527 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.625 -0.761 4.476 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.483 -5.284 4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.034 -1.067 4.805 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.964 -3.331 4.999 1.00 0.00 H new ATOM 421 N ARG A 30 -4.015 -0.541 2.697 1.00 0.00 N ATOM 422 CA ARG A 30 -2.831 0.272 2.692 1.00 0.00 C ATOM 423 C ARG A 30 -2.654 0.890 4.083 1.00 0.00 C ATOM 424 O ARG A 30 -3.501 1.662 4.543 1.00 0.00 O ATOM 425 CB ARG A 30 -2.956 1.359 1.640 1.00 0.00 C ATOM 426 CG ARG A 30 -1.757 2.265 1.550 1.00 0.00 C ATOM 427 CD ARG A 30 -0.606 1.611 0.823 1.00 0.00 C ATOM 428 NE ARG A 30 -0.925 1.330 -0.576 1.00 0.00 N ATOM 429 CZ ARG A 30 -0.023 1.003 -1.500 1.00 0.00 C ATOM 430 NH1 ARG A 30 1.275 1.027 -1.207 1.00 0.00 N ATOM 431 NH2 ARG A 30 -0.416 0.688 -2.729 1.00 0.00 N ATOM 0 H ARG A 30 -4.888 -0.015 2.650 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.960 -0.337 2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.120 0.893 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.838 1.961 1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.035 3.184 1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.439 2.546 2.554 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.268 2.260 0.871 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.341 0.682 1.327 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.902 1.388 -0.863 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.582 1.296 -0.272 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.963 0.776 -1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.408 0.697 -2.965 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.274 0.438 -3.437 1.00 0.00 H new ATOM 445 N VAL A 31 -1.563 0.557 4.725 1.00 0.00 N ATOM 446 CA VAL A 31 -1.287 0.979 6.100 1.00 0.00 C ATOM 447 C VAL A 31 0.159 1.428 6.245 1.00 0.00 C ATOM 448 O VAL A 31 0.934 1.333 5.314 1.00 0.00 O ATOM 449 CB VAL A 31 -1.566 -0.153 7.124 1.00 0.00 C ATOM 450 CG1 VAL A 31 -3.029 -0.573 7.095 1.00 0.00 C ATOM 451 CG2 VAL A 31 -0.659 -1.343 6.869 1.00 0.00 C ATOM 0 H VAL A 31 -0.827 -0.019 4.316 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.958 1.811 6.312 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.350 0.235 8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.194 -1.367 7.823 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.658 0.282 7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.284 -0.935 6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.871 -2.125 7.598 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.836 -1.726 5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.382 -1.033 6.962 1.00 0.00 H new ATOM 461 N LYS A 32 0.495 1.959 7.390 1.00 0.00 N ATOM 462 CA LYS A 32 1.851 2.391 7.670 1.00 0.00 C ATOM 463 C LYS A 32 2.620 1.232 8.283 1.00 0.00 C ATOM 464 O LYS A 32 2.016 0.337 8.855 1.00 0.00 O ATOM 465 CB LYS A 32 1.830 3.559 8.657 1.00 0.00 C ATOM 466 CG LYS A 32 3.145 4.324 8.768 1.00 0.00 C ATOM 467 CD LYS A 32 3.018 5.457 9.767 1.00 0.00 C ATOM 468 CE LYS A 32 4.223 6.393 9.746 1.00 0.00 C ATOM 469 NZ LYS A 32 5.478 5.715 10.152 1.00 0.00 N ATOM 0 H LYS A 32 -0.158 2.107 8.159 1.00 0.00 H new ATOM 0 HA LYS A 32 2.330 2.712 6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.045 4.254 8.359 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.562 3.179 9.643 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.941 3.647 9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.425 4.721 7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.115 6.028 9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.901 5.043 10.768 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.343 6.802 8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.037 7.235 10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.265 6.394 10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.376 5.347 11.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.674 4.928 9.501 1.00 0.00 H new ATOM 483 N TYR A 33 3.943 1.255 8.175 1.00 0.00 N ATOM 484 CA TYR A 33 4.776 0.231 8.829 1.00 0.00 C ATOM 485 C TYR A 33 4.461 0.195 10.324 1.00 0.00 C ATOM 486 O TYR A 33 4.422 -0.860 10.940 1.00 0.00 O ATOM 487 CB TYR A 33 6.263 0.569 8.691 1.00 0.00 C ATOM 488 CG TYR A 33 6.819 0.571 7.285 1.00 0.00 C ATOM 489 CD1 TYR A 33 6.846 1.734 6.531 1.00 0.00 C ATOM 490 CD2 TYR A 33 7.346 -0.583 6.727 1.00 0.00 C ATOM 491 CE1 TYR A 33 7.379 1.746 5.257 1.00 0.00 C ATOM 492 CE2 TYR A 33 7.878 -0.579 5.453 1.00 0.00 C ATOM 493 CZ TYR A 33 7.894 0.585 4.724 1.00 0.00 C ATOM 494 OH TYR A 33 8.422 0.586 3.453 1.00 0.00 O ATOM 0 H TYR A 33 4.464 1.957 7.650 1.00 0.00 H new ATOM 0 HA TYR A 33 4.562 -0.726 8.353 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.433 1.553 9.128 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.833 -0.146 9.284 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.444 2.646 6.947 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.340 -1.500 7.298 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.392 2.660 4.682 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.280 -1.488 5.031 1.00 0.00 H new ATOM 0 HH TYR A 33 8.743 -0.313 3.231 1.00 0.00 H new ATOM 504 N GLY A 34 4.250 1.372 10.890 1.00 0.00 N ATOM 505 CA GLY A 34 3.945 1.488 12.293 1.00 0.00 C ATOM 506 C GLY A 34 2.479 1.779 12.543 1.00 0.00 C ATOM 507 O GLY A 34 2.140 2.519 13.475 1.00 0.00 O ATOM 0 H GLY A 34 4.286 2.260 10.390 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.221 0.563 12.800 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.550 2.283 12.729 1.00 0.00 H new ATOM 511 N THR A 35 1.610 1.242 11.698 1.00 0.00 N ATOM 512 CA THR A 35 0.191 1.443 11.843 1.00 0.00 C ATOM 513 C THR A 35 -0.341 0.835 13.147 1.00 0.00 C ATOM 514 O THR A 35 -0.037 -0.299 13.500 1.00 0.00 O ATOM 515 CB THR A 35 -0.584 0.899 10.613 1.00 0.00 C ATOM 516 OG1 THR A 35 -0.923 1.977 9.718 1.00 0.00 O ATOM 517 CG2 THR A 35 -1.835 0.153 11.013 1.00 0.00 C ATOM 0 H THR A 35 1.874 0.661 10.902 1.00 0.00 H new ATOM 0 HA THR A 35 0.022 2.519 11.895 1.00 0.00 H new ATOM 0 HB THR A 35 0.074 0.194 10.104 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.875 1.928 9.492 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.344 -0.209 10.120 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.567 -0.693 11.646 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.498 0.822 11.562 1.00 0.00 H new ATOM 525 N SER A 36 -1.111 1.623 13.857 1.00 0.00 N ATOM 526 CA SER A 36 -1.699 1.203 15.106 1.00 0.00 C ATOM 527 C SER A 36 -2.946 0.375 14.848 1.00 0.00 C ATOM 528 O SER A 36 -3.618 0.575 13.839 1.00 0.00 O ATOM 529 CB SER A 36 -2.035 2.425 15.948 1.00 0.00 C ATOM 530 OG SER A 36 -0.860 3.150 16.266 1.00 0.00 O ATOM 0 H SER A 36 -1.348 2.577 13.584 1.00 0.00 H new ATOM 0 HA SER A 36 -0.984 0.584 15.649 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.729 3.067 15.406 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.537 2.115 16.865 1.00 0.00 H new ATOM 0 HG SER A 36 -0.408 2.724 17.024 1.00 0.00 H new ATOM 536 N MET A 37 -3.265 -0.537 15.776 1.00 0.00 N ATOM 537 CA MET A 37 -4.436 -1.434 15.635 1.00 0.00 C ATOM 538 C MET A 37 -5.716 -0.679 15.243 1.00 0.00 C ATOM 539 O MET A 37 -6.547 -1.196 14.504 1.00 0.00 O ATOM 540 CB MET A 37 -4.687 -2.205 16.937 1.00 0.00 C ATOM 541 CG MET A 37 -5.149 -1.339 18.107 1.00 0.00 C ATOM 542 SD MET A 37 -5.459 -2.297 19.604 1.00 0.00 S ATOM 543 CE MET A 37 -6.001 -1.012 20.724 1.00 0.00 C ATOM 0 H MET A 37 -2.733 -0.679 16.635 1.00 0.00 H new ATOM 0 HA MET A 37 -4.195 -2.128 14.830 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.438 -2.973 16.751 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.769 -2.720 17.222 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.392 -0.583 18.315 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.059 -0.810 17.825 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.231 -1.449 21.696 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.210 -0.271 20.838 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.893 -0.532 20.322 1.00 0.00 H new ATOM 553 N ALA A 38 -5.847 0.542 15.719 1.00 0.00 N ATOM 554 CA ALA A 38 -7.026 1.354 15.452 1.00 0.00 C ATOM 555 C ALA A 38 -7.197 1.649 13.970 1.00 0.00 C ATOM 556 O ALA A 38 -8.312 1.668 13.466 1.00 0.00 O ATOM 557 CB ALA A 38 -6.978 2.645 16.241 1.00 0.00 C ATOM 0 H ALA A 38 -5.145 1.002 16.299 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.891 0.773 15.772 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.868 3.236 16.026 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.941 2.419 17.307 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.090 3.211 15.959 1.00 0.00 H new ATOM 563 N LYS A 39 -6.085 1.851 13.276 1.00 0.00 N ATOM 564 CA LYS A 39 -6.116 2.260 11.876 1.00 0.00 C ATOM 565 C LYS A 39 -6.822 1.219 11.025 1.00 0.00 C ATOM 566 O LYS A 39 -7.596 1.553 10.147 1.00 0.00 O ATOM 567 CB LYS A 39 -4.691 2.446 11.348 1.00 0.00 C ATOM 568 CG LYS A 39 -3.880 3.516 12.066 1.00 0.00 C ATOM 569 CD LYS A 39 -4.479 4.893 11.885 1.00 0.00 C ATOM 570 CE LYS A 39 -3.627 5.954 12.559 1.00 0.00 C ATOM 571 NZ LYS A 39 -4.188 7.315 12.379 1.00 0.00 N ATOM 0 H LYS A 39 -5.147 1.738 13.660 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.660 3.203 11.815 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.163 1.496 11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.741 2.697 10.289 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.827 3.280 13.129 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.858 3.512 11.688 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.570 5.116 10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.486 4.912 12.302 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.547 5.733 13.623 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.617 5.921 12.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.576 8.008 12.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.240 7.538 11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.142 7.355 12.792 1.00 0.00 H new ATOM 585 N LEU A 40 -6.550 -0.034 11.303 1.00 0.00 N ATOM 586 CA LEU A 40 -7.125 -1.131 10.543 1.00 0.00 C ATOM 587 C LEU A 40 -8.477 -1.575 11.092 1.00 0.00 C ATOM 588 O LEU A 40 -9.416 -1.784 10.335 1.00 0.00 O ATOM 589 CB LEU A 40 -6.154 -2.327 10.441 1.00 0.00 C ATOM 590 CG LEU A 40 -5.563 -2.871 11.755 1.00 0.00 C ATOM 591 CD1 LEU A 40 -5.060 -4.284 11.552 1.00 0.00 C ATOM 592 CD2 LEU A 40 -4.415 -2.005 12.226 1.00 0.00 C ATOM 0 H LEU A 40 -5.928 -0.326 12.057 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.295 -0.748 9.537 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.676 -3.144 9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.327 -2.035 9.794 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.351 -2.862 12.508 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.644 -4.660 12.487 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.886 -4.923 11.240 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.287 -4.288 10.783 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.013 -2.408 13.156 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.633 -1.994 11.467 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.771 -0.989 12.395 1.00 0.00 H new ATOM 604 N LYS A 41 -8.568 -1.717 12.408 1.00 0.00 N ATOM 605 CA LYS A 41 -9.789 -2.198 13.057 1.00 0.00 C ATOM 606 C LYS A 41 -10.943 -1.275 12.834 1.00 0.00 C ATOM 607 O LYS A 41 -12.032 -1.714 12.486 1.00 0.00 O ATOM 608 CB LYS A 41 -9.538 -2.366 14.532 1.00 0.00 C ATOM 609 CG LYS A 41 -8.605 -3.505 14.853 1.00 0.00 C ATOM 610 CD LYS A 41 -8.149 -3.436 16.281 1.00 0.00 C ATOM 611 CE LYS A 41 -9.302 -3.645 17.252 1.00 0.00 C ATOM 612 NZ LYS A 41 -8.853 -3.593 18.663 1.00 0.00 N ATOM 0 H LYS A 41 -7.807 -1.505 13.054 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.052 -3.158 12.612 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.121 -1.441 14.930 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.489 -2.531 15.039 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.109 -4.455 14.673 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.741 -3.471 14.189 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.385 -4.193 16.456 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.687 -2.467 16.469 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.061 -2.881 17.084 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.772 -4.609 17.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.862 -4.552 19.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.888 -3.208 18.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.494 -2.982 19.209 1.00 0.00 H new ATOM 626 N LYS A 42 -10.707 -0.004 13.010 1.00 0.00 N ATOM 627 CA LYS A 42 -11.730 0.981 12.758 1.00 0.00 C ATOM 628 C LYS A 42 -12.118 0.948 11.291 1.00 0.00 C ATOM 629 O LYS A 42 -13.290 1.024 10.942 1.00 0.00 O ATOM 630 CB LYS A 42 -11.246 2.380 13.145 1.00 0.00 C ATOM 631 CG LYS A 42 -12.290 3.468 12.955 1.00 0.00 C ATOM 632 CD LYS A 42 -11.736 4.847 13.287 1.00 0.00 C ATOM 633 CE LYS A 42 -11.394 4.987 14.765 1.00 0.00 C ATOM 634 NZ LYS A 42 -10.923 6.360 15.095 1.00 0.00 N ATOM 0 H LYS A 42 -9.816 0.377 13.327 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.602 0.744 13.368 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.933 2.369 14.189 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.366 2.627 12.551 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.643 3.457 11.924 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.152 3.260 13.589 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.843 5.032 12.690 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.467 5.607 13.011 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.272 4.750 15.365 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.622 4.264 15.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.700 6.416 16.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.070 6.577 14.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.669 7.047 14.866 1.00 0.00 H new ATOM 648 N SER A 43 -11.118 0.819 10.444 1.00 0.00 N ATOM 649 CA SER A 43 -11.324 0.835 9.005 1.00 0.00 C ATOM 650 C SER A 43 -12.068 -0.410 8.477 1.00 0.00 C ATOM 651 O SER A 43 -13.074 -0.288 7.768 1.00 0.00 O ATOM 652 CB SER A 43 -9.974 1.002 8.302 1.00 0.00 C ATOM 653 OG SER A 43 -9.457 2.304 8.519 1.00 0.00 O ATOM 0 H SER A 43 -10.145 0.701 10.728 1.00 0.00 H new ATOM 0 HA SER A 43 -11.971 1.682 8.779 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.269 0.258 8.674 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.090 0.824 7.233 1.00 0.00 H new ATOM 0 HG SER A 43 -8.702 2.257 9.142 1.00 0.00 H new ATOM 659 N TYR A 44 -11.585 -1.592 8.828 1.00 0.00 N ATOM 660 CA TYR A 44 -12.193 -2.836 8.374 1.00 0.00 C ATOM 661 C TYR A 44 -13.571 -3.026 8.948 1.00 0.00 C ATOM 662 O TYR A 44 -14.510 -3.343 8.223 1.00 0.00 O ATOM 663 CB TYR A 44 -11.310 -4.011 8.742 1.00 0.00 C ATOM 664 CG TYR A 44 -11.775 -5.352 8.205 1.00 0.00 C ATOM 665 CD1 TYR A 44 -11.253 -5.874 7.027 1.00 0.00 C ATOM 666 CD2 TYR A 44 -12.737 -6.092 8.879 1.00 0.00 C ATOM 667 CE1 TYR A 44 -11.677 -7.097 6.540 1.00 0.00 C ATOM 668 CE2 TYR A 44 -13.167 -7.312 8.402 1.00 0.00 C ATOM 669 CZ TYR A 44 -12.634 -7.812 7.233 1.00 0.00 C ATOM 670 OH TYR A 44 -13.061 -9.031 6.755 1.00 0.00 O ATOM 0 H TYR A 44 -10.770 -1.717 9.429 1.00 0.00 H new ATOM 0 HA TYR A 44 -12.291 -2.780 7.290 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.302 -3.819 8.374 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -11.247 -4.073 9.828 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.505 -5.316 6.484 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -13.157 -5.704 9.795 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -11.262 -7.490 5.624 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -13.917 -7.872 8.941 1.00 0.00 H new ATOM 0 HH TYR A 44 -13.735 -9.402 7.361 1.00 0.00 H new ATOM 680 N ALA A 45 -13.696 -2.823 10.245 1.00 0.00 N ATOM 681 CA ALA A 45 -14.973 -3.011 10.911 1.00 0.00 C ATOM 682 C ALA A 45 -16.013 -2.087 10.323 1.00 0.00 C ATOM 683 O ALA A 45 -17.187 -2.439 10.202 1.00 0.00 O ATOM 684 CB ALA A 45 -14.854 -2.794 12.403 1.00 0.00 C ATOM 0 H ALA A 45 -12.935 -2.530 10.857 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.287 -4.042 10.749 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -15.827 -2.942 12.871 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.140 -3.505 12.818 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.509 -1.778 12.597 1.00 0.00 H new ATOM 690 N ASP A 46 -15.571 -0.908 9.953 1.00 0.00 N ATOM 691 CA ASP A 46 -16.465 0.104 9.394 1.00 0.00 C ATOM 692 C ASP A 46 -17.022 -0.327 8.047 1.00 0.00 C ATOM 693 O ASP A 46 -18.227 -0.248 7.802 1.00 0.00 O ATOM 694 CB ASP A 46 -15.745 1.435 9.239 1.00 0.00 C ATOM 695 CG ASP A 46 -16.648 2.517 8.690 1.00 0.00 C ATOM 696 OD1 ASP A 46 -17.485 3.043 9.448 1.00 0.00 O ATOM 697 OD2 ASP A 46 -16.531 2.839 7.495 1.00 0.00 O ATOM 0 H ASP A 46 -14.596 -0.616 10.025 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.294 0.221 10.092 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.354 1.748 10.207 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.890 1.308 8.575 1.00 0.00 H new ATOM 702 N ARG A 47 -16.140 -0.809 7.182 1.00 0.00 N ATOM 703 CA ARG A 47 -16.522 -1.200 5.830 1.00 0.00 C ATOM 704 C ARG A 47 -17.405 -2.446 5.843 1.00 0.00 C ATOM 705 O ARG A 47 -18.194 -2.667 4.926 1.00 0.00 O ATOM 706 CB ARG A 47 -15.275 -1.443 4.973 1.00 0.00 C ATOM 707 CG ARG A 47 -14.533 -2.719 5.306 1.00 0.00 C ATOM 708 CD ARG A 47 -13.252 -2.848 4.511 1.00 0.00 C ATOM 709 NE ARG A 47 -13.484 -2.880 3.069 1.00 0.00 N ATOM 710 CZ ARG A 47 -13.139 -1.907 2.213 1.00 0.00 C ATOM 711 NH1 ARG A 47 -12.570 -0.784 2.653 1.00 0.00 N ATOM 712 NH2 ARG A 47 -13.375 -2.055 0.917 1.00 0.00 N ATOM 0 H ARG A 47 -15.151 -0.939 7.393 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.097 -0.383 5.395 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -15.569 -1.470 3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -14.596 -0.599 5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.303 -2.738 6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -15.175 -3.576 5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.595 -2.012 4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.733 -3.758 4.812 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.943 -3.705 2.684 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.393 -0.659 3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.312 -0.051 1.993 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.818 -2.907 0.573 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.114 -1.317 0.263 1.00 0.00 H new ATOM 726 N THR A 48 -17.267 -3.256 6.882 1.00 0.00 N ATOM 727 CA THR A 48 -18.050 -4.470 6.993 1.00 0.00 C ATOM 728 C THR A 48 -19.336 -4.228 7.800 1.00 0.00 C ATOM 729 O THR A 48 -20.233 -5.070 7.829 1.00 0.00 O ATOM 730 CB THR A 48 -17.221 -5.644 7.595 1.00 0.00 C ATOM 731 OG1 THR A 48 -17.989 -6.851 7.604 1.00 0.00 O ATOM 732 CG2 THR A 48 -16.760 -5.329 9.000 1.00 0.00 C ATOM 0 H THR A 48 -16.622 -3.093 7.655 1.00 0.00 H new ATOM 0 HA THR A 48 -18.336 -4.763 5.983 1.00 0.00 H new ATOM 0 HB THR A 48 -16.343 -5.780 6.964 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.941 -6.634 7.520 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.185 -6.168 9.391 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.135 -4.436 8.986 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.627 -5.156 9.637 1.00 0.00 H new ATOM 740 N GLY A 49 -19.430 -3.056 8.425 1.00 0.00 N ATOM 741 CA GLY A 49 -20.611 -2.727 9.199 1.00 0.00 C ATOM 742 C GLY A 49 -20.710 -3.515 10.493 1.00 0.00 C ATOM 743 O GLY A 49 -21.795 -3.966 10.876 1.00 0.00 O ATOM 0 H GLY A 49 -18.711 -2.332 8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -20.603 -1.661 9.428 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -21.499 -2.917 8.596 1.00 0.00 H new ATOM 747 N VAL A 50 -19.590 -3.697 11.159 1.00 0.00 N ATOM 748 CA VAL A 50 -19.571 -4.435 12.400 1.00 0.00 C ATOM 749 C VAL A 50 -18.914 -3.602 13.496 1.00 0.00 C ATOM 750 O VAL A 50 -18.244 -2.608 13.202 1.00 0.00 O ATOM 751 CB VAL A 50 -18.827 -5.783 12.243 1.00 0.00 C ATOM 752 CG1 VAL A 50 -17.315 -5.612 12.328 1.00 0.00 C ATOM 753 CG2 VAL A 50 -19.330 -6.784 13.253 1.00 0.00 C ATOM 0 H VAL A 50 -18.681 -3.343 10.860 1.00 0.00 H new ATOM 0 HA VAL A 50 -20.603 -4.649 12.678 1.00 0.00 H new ATOM 0 HB VAL A 50 -19.042 -6.168 11.246 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -16.832 -6.582 12.213 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -16.979 -4.943 11.535 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -17.051 -5.188 13.297 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -18.796 -7.726 13.128 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -19.161 -6.401 14.260 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -20.397 -6.949 13.102 1.00 0.00 H new ATOM 763 N ALA A 51 -19.139 -3.982 14.751 1.00 0.00 N ATOM 764 CA ALA A 51 -18.546 -3.279 15.874 1.00 0.00 C ATOM 765 C ALA A 51 -17.029 -3.319 15.775 1.00 0.00 C ATOM 766 O ALA A 51 -16.437 -4.389 15.589 1.00 0.00 O ATOM 767 CB ALA A 51 -19.007 -3.897 17.189 1.00 0.00 C ATOM 0 H ALA A 51 -19.728 -4.773 15.011 1.00 0.00 H new ATOM 0 HA ALA A 51 -18.871 -2.239 15.847 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -18.554 -3.359 18.022 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -20.093 -3.831 17.261 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.704 -4.944 17.225 1.00 0.00 H new ATOM 773 N VAL A 52 -16.409 -2.160 15.920 1.00 0.00 N ATOM 774 CA VAL A 52 -14.963 -2.033 15.805 1.00 0.00 C ATOM 775 C VAL A 52 -14.266 -2.863 16.866 1.00 0.00 C ATOM 776 O VAL A 52 -13.310 -3.578 16.583 1.00 0.00 O ATOM 777 CB VAL A 52 -14.518 -0.552 15.935 1.00 0.00 C ATOM 778 CG1 VAL A 52 -13.002 -0.437 16.009 1.00 0.00 C ATOM 779 CG2 VAL A 52 -15.063 0.274 14.779 1.00 0.00 C ATOM 0 H VAL A 52 -16.890 -1.283 16.120 1.00 0.00 H new ATOM 0 HA VAL A 52 -14.681 -2.399 14.818 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.929 -0.159 16.865 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.721 0.612 16.100 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.637 -0.987 16.877 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.561 -0.854 15.104 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -14.740 1.309 14.888 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.687 -0.126 13.837 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -16.152 0.231 14.783 1.00 0.00 H new ATOM 789 N ASN A 53 -14.767 -2.778 18.076 1.00 0.00 N ATOM 790 CA ASN A 53 -14.191 -3.492 19.201 1.00 0.00 C ATOM 791 C ASN A 53 -14.342 -5.001 19.047 1.00 0.00 C ATOM 792 O ASN A 53 -13.484 -5.762 19.488 1.00 0.00 O ATOM 793 CB ASN A 53 -14.826 -3.027 20.512 1.00 0.00 C ATOM 794 CG ASN A 53 -14.419 -1.615 20.893 1.00 0.00 C ATOM 795 OD1 ASN A 53 -13.332 -1.147 20.542 1.00 0.00 O ATOM 796 ND2 ASN A 53 -15.287 -0.923 21.607 1.00 0.00 N ATOM 0 H ASN A 53 -15.584 -2.214 18.312 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.125 -3.265 19.223 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.911 -3.076 20.422 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.541 -3.711 21.311 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.069 0.033 21.888 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.175 -1.344 21.878 1.00 0.00 H new ATOM 803 N SER A 54 -15.436 -5.438 18.427 1.00 0.00 N ATOM 804 CA SER A 54 -15.684 -6.865 18.263 1.00 0.00 C ATOM 805 C SER A 54 -14.827 -7.462 17.150 1.00 0.00 C ATOM 806 O SER A 54 -14.686 -8.677 17.052 1.00 0.00 O ATOM 807 CB SER A 54 -17.165 -7.132 17.992 1.00 0.00 C ATOM 808 OG SER A 54 -17.573 -6.621 16.731 1.00 0.00 O ATOM 0 H SER A 54 -16.156 -4.831 18.035 1.00 0.00 H new ATOM 0 HA SER A 54 -15.405 -7.351 19.198 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.353 -8.205 18.027 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.766 -6.677 18.780 1.00 0.00 H new ATOM 0 HG SER A 54 -17.033 -5.835 16.506 1.00 0.00 H new ATOM 814 N LEU A 55 -14.248 -6.603 16.337 1.00 0.00 N ATOM 815 CA LEU A 55 -13.415 -7.024 15.230 1.00 0.00 C ATOM 816 C LEU A 55 -11.972 -6.985 15.694 1.00 0.00 C ATOM 817 O LEU A 55 -11.563 -6.045 16.376 1.00 0.00 O ATOM 818 CB LEU A 55 -13.636 -6.074 14.030 1.00 0.00 C ATOM 819 CG LEU A 55 -13.307 -6.614 12.617 1.00 0.00 C ATOM 820 CD1 LEU A 55 -11.826 -6.874 12.448 1.00 0.00 C ATOM 821 CD2 LEU A 55 -14.103 -7.875 12.318 1.00 0.00 C ATOM 0 H LEU A 55 -14.342 -5.591 16.425 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.669 -8.035 14.910 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.681 -5.763 14.036 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.036 -5.179 14.195 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.594 -5.843 11.902 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.635 -7.252 11.444 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.274 -5.946 12.597 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.500 -7.612 13.181 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -13.854 -8.234 11.320 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.858 -8.643 13.052 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.169 -7.653 12.368 1.00 0.00 H new ATOM 833 N ARG A 56 -11.201 -7.994 15.353 1.00 0.00 N ATOM 834 CA ARG A 56 -9.844 -8.047 15.821 1.00 0.00 C ATOM 835 C ARG A 56 -8.913 -8.564 14.757 1.00 0.00 C ATOM 836 O ARG A 56 -9.275 -9.426 13.950 1.00 0.00 O ATOM 837 CB ARG A 56 -9.727 -8.919 17.084 1.00 0.00 C ATOM 838 CG ARG A 56 -10.156 -10.374 16.893 1.00 0.00 C ATOM 839 CD ARG A 56 -11.643 -10.575 17.163 1.00 0.00 C ATOM 840 NE ARG A 56 -11.979 -10.313 18.562 1.00 0.00 N ATOM 841 CZ ARG A 56 -13.097 -10.728 19.165 1.00 0.00 C ATOM 842 NH1 ARG A 56 -13.978 -11.488 18.511 1.00 0.00 N ATOM 843 NH2 ARG A 56 -13.328 -10.393 20.426 1.00 0.00 N ATOM 0 H ARG A 56 -11.489 -8.775 14.763 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.552 -7.027 16.069 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.693 -8.901 17.428 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.334 -8.475 17.874 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.928 -10.688 15.874 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.577 -11.012 17.561 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.222 -9.913 16.519 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.925 -11.596 16.906 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.313 -9.775 19.117 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -13.800 -11.757 17.543 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.829 -11.800 18.979 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.654 -9.820 20.933 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.180 -10.708 20.889 1.00 0.00 H new ATOM 857 N PHE A 57 -7.721 -8.033 14.764 1.00 0.00 N ATOM 858 CA PHE A 57 -6.682 -8.453 13.860 1.00 0.00 C ATOM 859 C PHE A 57 -5.526 -8.990 14.650 1.00 0.00 C ATOM 860 O PHE A 57 -5.182 -8.454 15.714 1.00 0.00 O ATOM 861 CB PHE A 57 -6.202 -7.293 13.013 1.00 0.00 C ATOM 862 CG PHE A 57 -7.203 -6.796 12.032 1.00 0.00 C ATOM 863 CD1 PHE A 57 -8.124 -5.838 12.383 1.00 0.00 C ATOM 864 CD2 PHE A 57 -7.206 -7.273 10.749 1.00 0.00 C ATOM 865 CE1 PHE A 57 -9.030 -5.370 11.462 1.00 0.00 C ATOM 866 CE2 PHE A 57 -8.108 -6.810 9.830 1.00 0.00 C ATOM 867 CZ PHE A 57 -9.018 -5.859 10.185 1.00 0.00 C ATOM 0 H PHE A 57 -7.440 -7.289 15.403 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.086 -9.224 13.204 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.916 -6.472 13.671 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.304 -7.598 12.475 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.136 -5.450 13.391 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.487 -8.025 10.458 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.750 -4.617 11.746 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.099 -7.198 8.822 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.728 -5.492 9.459 1.00 0.00 H new ATOM 877 N LEU A 58 -4.933 -10.032 14.156 1.00 0.00 N ATOM 878 CA LEU A 58 -3.810 -10.636 14.816 1.00 0.00 C ATOM 879 C LEU A 58 -2.639 -10.756 13.879 1.00 0.00 C ATOM 880 O LEU A 58 -2.810 -10.957 12.676 1.00 0.00 O ATOM 881 CB LEU A 58 -4.172 -12.009 15.399 1.00 0.00 C ATOM 882 CG LEU A 58 -4.762 -11.998 16.818 1.00 0.00 C ATOM 883 CD1 LEU A 58 -6.168 -11.426 16.845 1.00 0.00 C ATOM 884 CD2 LEU A 58 -4.732 -13.381 17.426 1.00 0.00 C ATOM 0 H LEU A 58 -5.210 -10.489 13.287 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.528 -9.984 15.643 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.888 -12.489 14.732 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.275 -12.629 15.403 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.135 -11.343 17.422 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.546 -11.437 17.867 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.151 -10.401 16.476 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.818 -12.029 16.211 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.155 -13.346 18.430 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.318 -14.063 16.809 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.702 -13.733 17.478 1.00 0.00 H new ATOM 896 N PHE A 59 -1.457 -10.607 14.419 1.00 0.00 N ATOM 897 CA PHE A 59 -0.262 -10.759 13.641 1.00 0.00 C ATOM 898 C PHE A 59 0.645 -11.720 14.367 1.00 0.00 C ATOM 899 O PHE A 59 1.044 -11.458 15.484 1.00 0.00 O ATOM 900 CB PHE A 59 0.423 -9.392 13.389 1.00 0.00 C ATOM 901 CG PHE A 59 1.289 -9.387 12.138 1.00 0.00 C ATOM 902 CD1 PHE A 59 1.501 -8.219 11.411 1.00 0.00 C ATOM 903 CD2 PHE A 59 1.859 -10.563 11.670 1.00 0.00 C ATOM 904 CE1 PHE A 59 2.260 -8.239 10.255 1.00 0.00 C ATOM 905 CE2 PHE A 59 2.620 -10.579 10.524 1.00 0.00 C ATOM 906 CZ PHE A 59 2.820 -9.417 9.815 1.00 0.00 C ATOM 0 H PHE A 59 -1.300 -10.379 15.401 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.502 -11.160 12.656 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.341 -8.619 13.300 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.038 -9.134 14.252 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.069 -7.290 11.752 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.702 -11.482 12.215 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.414 -7.328 9.696 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.060 -11.504 10.181 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.416 -9.429 8.914 1.00 0.00 H new ATOM 916 N ASP A 60 0.931 -12.854 13.731 1.00 0.00 N ATOM 917 CA ASP A 60 1.715 -13.937 14.343 1.00 0.00 C ATOM 918 C ASP A 60 0.947 -14.591 15.473 1.00 0.00 C ATOM 919 O ASP A 60 1.526 -15.205 16.372 1.00 0.00 O ATOM 920 CB ASP A 60 3.084 -13.458 14.841 1.00 0.00 C ATOM 921 CG ASP A 60 4.007 -13.054 13.723 1.00 0.00 C ATOM 922 OD1 ASP A 60 4.171 -13.843 12.774 1.00 0.00 O ATOM 923 OD2 ASP A 60 4.610 -11.967 13.804 1.00 0.00 O ATOM 0 H ASP A 60 0.628 -13.053 12.777 1.00 0.00 H new ATOM 0 HA ASP A 60 1.891 -14.675 13.560 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.944 -12.612 15.513 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.552 -14.253 15.422 1.00 0.00 H new ATOM 928 N GLY A 61 -0.360 -14.476 15.407 1.00 0.00 N ATOM 929 CA GLY A 61 -1.214 -15.104 16.379 1.00 0.00 C ATOM 930 C GLY A 61 -1.350 -14.307 17.641 1.00 0.00 C ATOM 931 O GLY A 61 -1.836 -14.814 18.658 1.00 0.00 O ATOM 0 H GLY A 61 -0.853 -13.950 14.685 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.202 -15.255 15.943 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.817 -16.090 16.620 1.00 0.00 H new ATOM 935 N ARG A 62 -0.938 -13.062 17.595 1.00 0.00 N ATOM 936 CA ARG A 62 -1.036 -12.216 18.744 1.00 0.00 C ATOM 937 C ARG A 62 -1.819 -10.963 18.407 1.00 0.00 C ATOM 938 O ARG A 62 -1.770 -10.476 17.275 1.00 0.00 O ATOM 939 CB ARG A 62 0.363 -11.911 19.294 1.00 0.00 C ATOM 940 CG ARG A 62 1.338 -11.300 18.299 1.00 0.00 C ATOM 941 CD ARG A 62 1.187 -9.795 18.208 1.00 0.00 C ATOM 942 NE ARG A 62 1.666 -9.140 19.415 1.00 0.00 N ATOM 943 CZ ARG A 62 1.494 -7.864 19.665 1.00 0.00 C ATOM 944 NH1 ARG A 62 0.879 -7.103 18.781 1.00 0.00 N ATOM 945 NH2 ARG A 62 1.952 -7.335 20.793 1.00 0.00 N ATOM 0 H ARG A 62 -0.533 -12.619 16.770 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.585 -12.730 19.533 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.262 -11.232 20.141 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.794 -12.836 19.677 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.358 -11.545 18.594 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.176 -11.741 17.315 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.741 -9.424 17.346 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.139 -9.542 18.046 1.00 0.00 H new ATOM 0 HE ARG A 62 2.163 -9.704 20.105 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.540 -7.507 17.908 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.742 -6.110 18.970 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.440 -7.921 21.470 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.816 -6.342 20.983 1.00 0.00 H new ATOM 959 N ARG A 63 -2.557 -10.463 19.377 1.00 0.00 N ATOM 960 CA ARG A 63 -3.414 -9.318 19.173 1.00 0.00 C ATOM 961 C ARG A 63 -2.621 -8.063 18.918 1.00 0.00 C ATOM 962 O ARG A 63 -1.707 -7.731 19.662 1.00 0.00 O ATOM 963 CB ARG A 63 -4.355 -9.122 20.363 1.00 0.00 C ATOM 964 CG ARG A 63 -5.575 -10.028 20.334 1.00 0.00 C ATOM 965 CD ARG A 63 -5.234 -11.480 20.640 1.00 0.00 C ATOM 966 NE ARG A 63 -6.428 -12.323 20.595 1.00 0.00 N ATOM 967 CZ ARG A 63 -6.432 -13.654 20.700 1.00 0.00 C ATOM 968 NH1 ARG A 63 -5.304 -14.317 20.923 1.00 0.00 N ATOM 969 NH2 ARG A 63 -7.576 -14.320 20.592 1.00 0.00 N ATOM 0 H ARG A 63 -2.578 -10.839 20.325 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.012 -9.518 18.284 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.802 -9.301 21.285 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.685 -8.084 20.386 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.306 -9.670 21.059 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.044 -9.968 19.352 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.501 -11.844 19.920 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.774 -11.549 21.626 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.328 -11.858 20.474 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.424 -13.810 21.016 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.317 -15.334 21.002 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.447 -13.815 20.429 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.584 -15.337 20.672 1.00 0.00 H new ATOM 983 N ILE A 64 -2.995 -7.372 17.866 1.00 0.00 N ATOM 984 CA ILE A 64 -2.338 -6.141 17.464 1.00 0.00 C ATOM 985 C ILE A 64 -2.834 -4.976 18.307 1.00 0.00 C ATOM 986 O ILE A 64 -4.037 -4.754 18.424 1.00 0.00 O ATOM 987 CB ILE A 64 -2.616 -5.851 15.965 1.00 0.00 C ATOM 988 CG1 ILE A 64 -2.099 -7.008 15.105 1.00 0.00 C ATOM 989 CG2 ILE A 64 -1.978 -4.533 15.532 1.00 0.00 C ATOM 990 CD1 ILE A 64 -2.511 -6.924 13.651 1.00 0.00 C ATOM 0 H ILE A 64 -3.767 -7.646 17.259 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.265 -6.259 17.615 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.693 -5.760 15.826 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.011 -7.033 15.163 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.462 -7.948 15.521 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.189 -4.356 14.477 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.389 -3.717 16.127 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.900 -4.584 15.683 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.106 -7.778 13.108 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.599 -6.931 13.580 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.125 -6.002 13.216 1.00 0.00 H new ATOM 1002 N ASN A 65 -1.902 -4.270 18.916 1.00 0.00 N ATOM 1003 CA ASN A 65 -2.187 -3.093 19.712 1.00 0.00 C ATOM 1004 C ASN A 65 -1.535 -1.879 19.073 1.00 0.00 C ATOM 1005 O ASN A 65 -0.760 -2.015 18.129 1.00 0.00 O ATOM 1006 CB ASN A 65 -1.710 -3.273 21.157 1.00 0.00 C ATOM 1007 CG ASN A 65 -2.420 -4.404 21.891 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -1.803 -5.149 22.656 1.00 0.00 O ATOM 1009 ND2 ASN A 65 -3.722 -4.529 21.682 1.00 0.00 N ATOM 0 H ASN A 65 -0.910 -4.502 18.871 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.266 -2.943 19.743 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.637 -3.467 21.156 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.865 -2.342 21.702 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.248 -5.260 22.161 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.199 -3.894 21.042 1.00 0.00 H new ATOM 1016 N ASP A 66 -1.843 -0.696 19.571 1.00 0.00 N ATOM 1017 CA ASP A 66 -1.344 0.532 18.949 1.00 0.00 C ATOM 1018 C ASP A 66 0.115 0.833 19.316 1.00 0.00 C ATOM 1019 O ASP A 66 0.716 1.738 18.750 1.00 0.00 O ATOM 1020 CB ASP A 66 -2.212 1.730 19.341 1.00 0.00 C ATOM 1021 CG ASP A 66 -2.038 2.142 20.788 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -2.722 1.577 21.652 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -1.213 3.040 21.065 1.00 0.00 O ATOM 0 H ASP A 66 -2.428 -0.552 20.394 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.394 0.368 17.873 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.967 2.575 18.697 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.259 1.486 19.162 1.00 0.00 H new ATOM 1028 N ASP A 67 0.677 0.091 20.252 1.00 0.00 N ATOM 1029 CA ASP A 67 2.064 0.355 20.675 1.00 0.00 C ATOM 1030 C ASP A 67 3.007 -0.809 20.330 1.00 0.00 C ATOM 1031 O ASP A 67 4.116 -0.912 20.859 1.00 0.00 O ATOM 1032 CB ASP A 67 2.116 0.675 22.171 1.00 0.00 C ATOM 1033 CG ASP A 67 3.405 1.367 22.570 1.00 0.00 C ATOM 1034 OD1 ASP A 67 3.690 2.452 22.020 1.00 0.00 O ATOM 1035 OD2 ASP A 67 4.128 0.840 23.446 1.00 0.00 O ATOM 0 H ASP A 67 0.219 -0.684 20.732 1.00 0.00 H new ATOM 0 HA ASP A 67 2.415 1.224 20.118 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.270 1.310 22.434 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.011 -0.248 22.741 1.00 0.00 H new ATOM 1040 N ASP A 68 2.568 -1.676 19.449 1.00 0.00 N ATOM 1041 CA ASP A 68 3.363 -2.830 19.036 1.00 0.00 C ATOM 1042 C ASP A 68 4.360 -2.503 17.924 1.00 0.00 C ATOM 1043 O ASP A 68 4.374 -1.384 17.407 1.00 0.00 O ATOM 1044 CB ASP A 68 2.498 -4.003 18.708 1.00 0.00 C ATOM 1045 CG ASP A 68 1.708 -4.454 19.892 1.00 0.00 C ATOM 1046 OD1 ASP A 68 2.282 -4.569 20.997 1.00 0.00 O ATOM 1047 OD2 ASP A 68 0.525 -4.729 19.728 1.00 0.00 O ATOM 0 H ASP A 68 1.657 -1.611 18.995 1.00 0.00 H new ATOM 0 HA ASP A 68 3.972 -3.113 19.895 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.820 -3.739 17.897 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.119 -4.824 18.350 1.00 0.00 H new ATOM 1052 N THR A 69 5.241 -3.463 17.601 1.00 0.00 N ATOM 1053 CA THR A 69 6.322 -3.219 16.664 1.00 0.00 C ATOM 1054 C THR A 69 5.814 -3.373 15.251 1.00 0.00 C ATOM 1055 O THR A 69 4.880 -4.129 15.032 1.00 0.00 O ATOM 1056 CB THR A 69 7.492 -4.206 16.903 1.00 0.00 C ATOM 1057 OG1 THR A 69 7.032 -5.559 16.749 1.00 0.00 O ATOM 1058 CG2 THR A 69 8.081 -4.022 18.294 1.00 0.00 C ATOM 0 H THR A 69 5.217 -4.410 17.980 1.00 0.00 H new ATOM 0 HA THR A 69 6.687 -2.203 16.816 1.00 0.00 H new ATOM 0 HB THR A 69 8.269 -3.999 16.167 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.777 -6.177 16.900 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.901 -4.726 18.438 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.455 -3.003 18.399 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.310 -4.205 19.043 1.00 0.00 H new ATOM 1066 N PRO A 70 6.473 -2.738 14.254 1.00 0.00 N ATOM 1067 CA PRO A 70 6.020 -2.756 12.845 1.00 0.00 C ATOM 1068 C PRO A 70 5.834 -4.166 12.309 1.00 0.00 C ATOM 1069 O PRO A 70 5.132 -4.373 11.335 1.00 0.00 O ATOM 1070 CB PRO A 70 7.155 -2.023 12.093 1.00 0.00 C ATOM 1071 CG PRO A 70 8.307 -2.037 13.038 1.00 0.00 C ATOM 1072 CD PRO A 70 7.703 -1.947 14.406 1.00 0.00 C ATOM 0 HA PRO A 70 5.044 -2.286 12.725 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.403 -2.529 11.160 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.866 -1.004 11.836 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.894 -2.949 12.927 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.979 -1.200 12.850 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.361 -2.361 15.170 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.492 -0.916 14.691 1.00 0.00 H new ATOM 1080 N LYS A 71 6.438 -5.133 12.978 1.00 0.00 N ATOM 1081 CA LYS A 71 6.367 -6.491 12.595 1.00 0.00 C ATOM 1082 C LYS A 71 4.978 -7.074 12.830 1.00 0.00 C ATOM 1083 O LYS A 71 4.480 -7.819 12.018 1.00 0.00 O ATOM 1084 CB LYS A 71 7.507 -7.273 13.305 1.00 0.00 C ATOM 1085 CG LYS A 71 7.440 -8.791 13.222 1.00 0.00 C ATOM 1086 CD LYS A 71 6.321 -9.325 14.087 1.00 0.00 C ATOM 1087 CE LYS A 71 6.510 -9.023 15.557 1.00 0.00 C ATOM 1088 NZ LYS A 71 7.764 -9.606 16.101 1.00 0.00 N ATOM 0 H LYS A 71 6.997 -4.970 13.816 1.00 0.00 H new ATOM 0 HA LYS A 71 6.522 -6.583 11.520 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.458 -6.949 12.882 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.513 -6.988 14.357 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.284 -9.097 12.187 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.390 -9.220 13.542 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.376 -8.897 13.753 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.248 -10.404 13.951 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.521 -7.943 15.704 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.659 -9.412 16.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.774 -9.504 17.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.815 -10.614 15.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.582 -9.108 15.696 1.00 0.00 H new ATOM 1102 N THR A 72 4.374 -6.725 13.932 1.00 0.00 N ATOM 1103 CA THR A 72 3.066 -7.233 14.272 1.00 0.00 C ATOM 1104 C THR A 72 2.083 -6.216 13.846 1.00 0.00 C ATOM 1105 O THR A 72 0.870 -6.389 13.895 1.00 0.00 O ATOM 1106 CB THR A 72 2.914 -7.542 15.777 1.00 0.00 C ATOM 1107 OG1 THR A 72 1.532 -7.743 16.097 1.00 0.00 O ATOM 1108 CG2 THR A 72 3.480 -6.431 16.627 1.00 0.00 C ATOM 0 H THR A 72 4.769 -6.084 14.620 1.00 0.00 H new ATOM 0 HA THR A 72 2.905 -8.183 13.762 1.00 0.00 H new ATOM 0 HB THR A 72 3.475 -8.451 15.992 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.975 -7.435 15.351 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.357 -6.680 17.681 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.540 -6.307 16.405 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.953 -5.502 16.410 1.00 0.00 H new ATOM 1116 N LEU A 73 2.655 -5.154 13.445 1.00 0.00 N ATOM 1117 CA LEU A 73 2.003 -3.986 13.038 1.00 0.00 C ATOM 1118 C LEU A 73 1.826 -3.870 11.622 1.00 0.00 C ATOM 1119 O LEU A 73 1.800 -2.741 11.114 1.00 0.00 O ATOM 1120 CB LEU A 73 2.769 -2.895 13.489 1.00 0.00 C ATOM 1121 CG LEU A 73 2.534 -2.564 14.960 1.00 0.00 C ATOM 1122 CD1 LEU A 73 2.436 -1.063 15.165 1.00 0.00 C ATOM 1123 CD2 LEU A 73 1.273 -3.301 15.484 1.00 0.00 C ATOM 0 H LEU A 73 3.670 -5.075 13.389 1.00 0.00 H new ATOM 0 HA LEU A 73 1.000 -4.010 13.465 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.826 -3.113 13.337 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.534 -2.019 12.884 1.00 0.00 H new ATOM 0 HG LEU A 73 3.388 -2.914 15.540 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.268 -0.850 16.221 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.364 -0.590 14.842 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.605 -0.669 14.579 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.118 -3.055 16.535 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.403 -2.989 14.906 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.411 -4.377 15.380 1.00 0.00 H new ATOM 1135 N GLU A 74 1.803 -4.989 10.950 1.00 0.00 N ATOM 1136 CA GLU A 74 1.481 -4.963 9.554 1.00 0.00 C ATOM 1137 C GLU A 74 2.629 -4.472 8.732 1.00 0.00 C ATOM 1138 O GLU A 74 2.626 -3.375 8.188 1.00 0.00 O ATOM 1139 CB GLU A 74 0.329 -4.080 9.368 1.00 0.00 C ATOM 1140 CG GLU A 74 -1.024 -4.700 9.650 1.00 0.00 C ATOM 1141 CD GLU A 74 -2.180 -3.760 9.372 1.00 0.00 C ATOM 1142 OE1 GLU A 74 -2.321 -2.763 10.098 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -2.963 -4.033 8.435 1.00 0.00 O ATOM 0 H GLU A 74 1.999 -5.911 11.339 1.00 0.00 H new ATOM 0 HA GLU A 74 1.253 -5.977 9.224 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.452 -3.211 10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.335 -3.716 8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.139 -5.597 9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.062 -5.014 10.693 1.00 0.00 H new ATOM 1150 N MET A 75 3.619 -5.266 8.760 1.00 0.00 N ATOM 1151 CA MET A 75 4.809 -5.156 7.957 1.00 0.00 C ATOM 1152 C MET A 75 4.619 -4.723 6.491 1.00 0.00 C ATOM 1153 O MET A 75 3.517 -4.549 6.003 1.00 0.00 O ATOM 1154 CB MET A 75 5.662 -6.340 8.129 1.00 0.00 C ATOM 1155 CG MET A 75 6.105 -6.442 9.562 1.00 0.00 C ATOM 1156 SD MET A 75 7.348 -7.722 9.810 1.00 0.00 S ATOM 1157 CE MET A 75 6.381 -9.190 9.480 1.00 0.00 C ATOM 0 H MET A 75 3.642 -6.074 9.381 1.00 0.00 H new ATOM 0 HA MET A 75 5.340 -4.292 8.355 1.00 0.00 H new ATOM 0 HB2 MET A 75 5.115 -7.238 7.843 1.00 0.00 H new ATOM 0 HB3 MET A 75 6.530 -6.273 7.474 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.508 -5.482 9.884 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.241 -6.652 10.192 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.026 -10.068 9.523 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.593 -9.282 10.227 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.934 -9.116 8.489 1.00 0.00 H new ATOM 1167 N GLU A 76 5.728 -4.648 5.788 1.00 0.00 N ATOM 1168 CA GLU A 76 5.885 -3.851 4.606 1.00 0.00 C ATOM 1169 C GLU A 76 5.156 -4.413 3.450 1.00 0.00 C ATOM 1170 O GLU A 76 4.563 -5.484 3.545 1.00 0.00 O ATOM 1171 CB GLU A 76 7.365 -3.757 4.255 1.00 0.00 C ATOM 1172 CG GLU A 76 7.985 -5.094 3.890 1.00 0.00 C ATOM 1173 CD GLU A 76 9.432 -4.973 3.488 1.00 0.00 C ATOM 1174 OE1 GLU A 76 9.702 -4.489 2.365 1.00 0.00 O ATOM 1175 OE2 GLU A 76 10.311 -5.354 4.284 1.00 0.00 O ATOM 0 H GLU A 76 6.572 -5.162 6.039 1.00 0.00 H new ATOM 0 HA GLU A 76 5.470 -2.866 4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.490 -3.067 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.905 -3.334 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.904 -5.772 4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.421 -5.540 3.071 1.00 0.00 H new ATOM 1182 N ASP A 77 5.258 -3.684 2.341 1.00 0.00 N ATOM 1183 CA ASP A 77 4.492 -3.919 1.138 1.00 0.00 C ATOM 1184 C ASP A 77 4.027 -5.342 0.968 1.00 0.00 C ATOM 1185 O ASP A 77 4.774 -6.242 0.564 1.00 0.00 O ATOM 1186 CB ASP A 77 5.269 -3.440 -0.084 1.00 0.00 C ATOM 1187 CG ASP A 77 4.715 -3.952 -1.399 1.00 0.00 C ATOM 1188 OD1 ASP A 77 5.448 -4.679 -2.102 1.00 0.00 O ATOM 1189 OD2 ASP A 77 3.559 -3.644 -1.728 1.00 0.00 O ATOM 0 H ASP A 77 5.897 -2.893 2.261 1.00 0.00 H new ATOM 0 HA ASP A 77 3.578 -3.334 1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.268 -2.350 -0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.308 -3.757 0.010 1.00 0.00 H new ATOM 1194 N ASP A 78 2.789 -5.506 1.366 1.00 0.00 N ATOM 1195 CA ASP A 78 1.985 -6.686 1.126 1.00 0.00 C ATOM 1196 C ASP A 78 2.292 -7.836 2.106 1.00 0.00 C ATOM 1197 O ASP A 78 2.196 -9.010 1.745 1.00 0.00 O ATOM 1198 CB ASP A 78 2.120 -7.097 -0.355 1.00 0.00 C ATOM 1199 CG ASP A 78 1.142 -8.154 -0.822 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -0.054 -7.845 -0.957 1.00 0.00 O ATOM 1201 OD2 ASP A 78 1.587 -9.294 -1.111 1.00 0.00 O ATOM 0 H ASP A 78 2.289 -4.789 1.891 1.00 0.00 H new ATOM 0 HA ASP A 78 0.941 -6.441 1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.994 -6.209 -0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.133 -7.462 -0.523 1.00 0.00 H new ATOM 1206 N ASP A 79 2.655 -7.507 3.375 1.00 0.00 N ATOM 1207 CA ASP A 79 2.777 -8.565 4.380 1.00 0.00 C ATOM 1208 C ASP A 79 1.367 -9.077 4.765 1.00 0.00 C ATOM 1209 O ASP A 79 0.358 -8.567 4.271 1.00 0.00 O ATOM 1210 CB ASP A 79 3.592 -8.143 5.620 1.00 0.00 C ATOM 1211 CG ASP A 79 4.297 -9.341 6.258 1.00 0.00 C ATOM 1212 OD1 ASP A 79 5.530 -9.460 6.101 1.00 0.00 O ATOM 1213 OD2 ASP A 79 3.622 -10.186 6.877 1.00 0.00 O ATOM 0 H ASP A 79 2.857 -6.562 3.703 1.00 0.00 H new ATOM 0 HA ASP A 79 3.347 -9.379 3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.331 -7.394 5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.931 -7.676 6.350 1.00 0.00 H new ATOM 1218 N VAL A 80 1.300 -10.058 5.636 1.00 0.00 N ATOM 1219 CA VAL A 80 0.049 -10.752 5.919 1.00 0.00 C ATOM 1220 C VAL A 80 -0.540 -10.413 7.289 1.00 0.00 C ATOM 1221 O VAL A 80 0.170 -10.063 8.226 1.00 0.00 O ATOM 1222 CB VAL A 80 0.245 -12.272 5.822 1.00 0.00 C ATOM 1223 CG1 VAL A 80 0.731 -12.645 4.434 1.00 0.00 C ATOM 1224 CG2 VAL A 80 1.225 -12.749 6.883 1.00 0.00 C ATOM 0 H VAL A 80 2.100 -10.401 6.168 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.659 -10.407 5.166 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.712 -12.764 5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.867 -13.725 4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.005 -12.331 3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.680 -12.148 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.353 -13.828 6.801 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.187 -12.257 6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.838 -12.504 7.872 1.00 0.00 H new ATOM 1234 N ILE A 81 -1.854 -10.520 7.367 1.00 0.00 N ATOM 1235 CA ILE A 81 -2.619 -10.240 8.569 1.00 0.00 C ATOM 1236 C ILE A 81 -3.683 -11.308 8.817 1.00 0.00 C ATOM 1237 O ILE A 81 -4.341 -11.768 7.882 1.00 0.00 O ATOM 1238 CB ILE A 81 -3.260 -8.832 8.494 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -2.259 -7.774 8.931 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -4.553 -8.729 9.280 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -1.800 -7.929 10.367 1.00 0.00 C ATOM 0 H ILE A 81 -2.432 -10.811 6.579 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.929 -10.260 9.413 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.528 -8.655 7.452 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.390 -7.815 8.274 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.707 -6.788 8.806 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.954 -7.720 9.189 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.276 -9.444 8.887 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.359 -8.949 10.330 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.088 -7.140 10.608 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.660 -7.858 11.033 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.322 -8.900 10.493 1.00 0.00 H new ATOM 1253 N GLU A 82 -3.839 -11.698 10.079 1.00 0.00 N ATOM 1254 CA GLU A 82 -4.801 -12.718 10.460 1.00 0.00 C ATOM 1255 C GLU A 82 -6.026 -12.074 11.097 1.00 0.00 C ATOM 1256 O GLU A 82 -5.908 -11.115 11.862 1.00 0.00 O ATOM 1257 CB GLU A 82 -4.169 -13.667 11.466 1.00 0.00 C ATOM 1258 CG GLU A 82 -2.876 -14.304 10.992 1.00 0.00 C ATOM 1259 CD GLU A 82 -2.215 -15.123 12.079 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -1.341 -14.581 12.783 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -2.579 -16.312 12.241 1.00 0.00 O ATOM 0 H GLU A 82 -3.304 -11.316 10.859 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.100 -13.265 9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.975 -13.123 12.390 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.883 -14.455 11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.080 -14.941 10.132 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.190 -13.526 10.657 1.00 0.00 H new ATOM 1268 N VAL A 83 -7.193 -12.591 10.783 1.00 0.00 N ATOM 1269 CA VAL A 83 -8.433 -12.085 11.353 1.00 0.00 C ATOM 1270 C VAL A 83 -9.227 -13.191 12.002 1.00 0.00 C ATOM 1271 O VAL A 83 -9.380 -14.274 11.440 1.00 0.00 O ATOM 1272 CB VAL A 83 -9.321 -11.383 10.304 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -10.654 -10.951 10.904 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -8.616 -10.190 9.743 1.00 0.00 C ATOM 0 H VAL A 83 -7.315 -13.367 10.132 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.140 -11.351 12.104 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.518 -12.099 9.506 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.255 -10.460 10.139 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.186 -11.826 11.277 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.475 -10.257 11.726 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.254 -9.704 9.004 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.392 -9.488 10.547 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.687 -10.506 9.268 1.00 0.00 H new ATOM 1284 N TYR A 84 -9.704 -12.926 13.188 1.00 0.00 N ATOM 1285 CA TYR A 84 -10.544 -13.849 13.893 1.00 0.00 C ATOM 1286 C TYR A 84 -11.970 -13.333 13.904 1.00 0.00 C ATOM 1287 O TYR A 84 -12.198 -12.135 13.722 1.00 0.00 O ATOM 1288 CB TYR A 84 -10.001 -14.121 15.287 1.00 0.00 C ATOM 1289 CG TYR A 84 -8.744 -14.968 15.258 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -7.492 -14.392 15.103 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -8.818 -16.350 15.364 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -6.348 -15.169 15.051 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -7.683 -17.133 15.319 1.00 0.00 C ATOM 1294 CZ TYR A 84 -6.451 -16.540 15.162 1.00 0.00 C ATOM 1295 OH TYR A 84 -5.320 -17.327 15.098 1.00 0.00 O ATOM 0 H TYR A 84 -9.519 -12.059 13.693 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.547 -14.809 13.378 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.787 -13.174 15.783 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -10.764 -14.626 15.880 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.408 -13.318 15.021 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -9.782 -16.821 15.484 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.381 -14.705 14.924 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.761 -18.207 15.407 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.571 -18.269 15.195 1.00 0.00 H new ATOM 1305 N GLN A 85 -12.920 -14.221 14.125 1.00 0.00 N ATOM 1306 CA GLN A 85 -14.326 -13.888 13.957 1.00 0.00 C ATOM 1307 C GLN A 85 -14.802 -12.896 15.020 1.00 0.00 C ATOM 1308 O GLN A 85 -14.363 -12.935 16.173 1.00 0.00 O ATOM 1309 CB GLN A 85 -15.174 -15.154 13.987 1.00 0.00 C ATOM 1310 CG GLN A 85 -16.509 -14.991 13.298 1.00 0.00 C ATOM 1311 CD GLN A 85 -16.342 -14.763 11.803 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -15.404 -15.274 11.185 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -17.224 -13.992 11.220 1.00 0.00 N ATOM 0 H GLN A 85 -12.746 -15.181 14.422 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.442 -13.407 12.986 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -14.623 -15.965 13.510 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -15.340 -15.448 15.023 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -17.117 -15.880 13.466 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -17.046 -14.150 13.737 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -17.986 -13.587 11.764 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -17.149 -13.796 10.222 1.00 0.00 H new ATOM 1322 N GLU A 86 -15.689 -12.001 14.616 1.00 0.00 N ATOM 1323 CA GLU A 86 -16.168 -10.936 15.475 1.00 0.00 C ATOM 1324 C GLU A 86 -17.496 -11.289 16.168 1.00 0.00 C ATOM 1325 O GLU A 86 -18.212 -12.205 15.752 1.00 0.00 O ATOM 1326 CB GLU A 86 -16.286 -9.627 14.682 1.00 0.00 C ATOM 1327 CG GLU A 86 -17.429 -9.569 13.684 1.00 0.00 C ATOM 1328 CD GLU A 86 -17.322 -10.584 12.567 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -17.688 -11.754 12.792 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -16.894 -10.217 11.464 1.00 0.00 O ATOM 0 H GLU A 86 -16.096 -11.995 13.681 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.434 -10.802 16.269 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -16.400 -8.804 15.388 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -15.351 -9.461 14.147 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.369 -9.725 14.214 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -17.469 -8.570 13.251 1.00 0.00 H new ATOM 1337 N GLN A 87 -17.794 -10.555 17.238 1.00 0.00 N ATOM 1338 CA GLN A 87 -18.991 -10.781 18.059 1.00 0.00 C ATOM 1339 C GLN A 87 -20.294 -10.478 17.321 1.00 0.00 C ATOM 1340 O GLN A 87 -21.250 -11.245 17.396 1.00 0.00 O ATOM 1341 CB GLN A 87 -18.911 -9.936 19.333 1.00 0.00 C ATOM 1342 CG GLN A 87 -20.105 -10.082 20.262 1.00 0.00 C ATOM 1343 CD GLN A 87 -20.288 -11.500 20.770 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -19.322 -12.249 20.929 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -21.526 -11.877 21.024 1.00 0.00 N ATOM 0 H GLN A 87 -17.213 -9.783 17.565 1.00 0.00 H new ATOM 0 HA GLN A 87 -19.008 -11.843 18.305 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.007 -10.208 19.878 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -18.811 -8.887 19.053 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -19.982 -9.410 21.111 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -21.008 -9.770 19.737 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -22.297 -11.226 20.879 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -21.712 -12.820 21.366 1.00 0.00 H new ATOM 1354 N LEU A 88 -20.326 -9.366 16.611 1.00 0.00 N ATOM 1355 CA LEU A 88 -21.548 -8.934 15.941 1.00 0.00 C ATOM 1356 C LEU A 88 -21.697 -9.566 14.570 1.00 0.00 C ATOM 1357 O LEU A 88 -22.733 -9.424 13.917 1.00 0.00 O ATOM 1358 CB LEU A 88 -21.620 -7.404 15.852 1.00 0.00 C ATOM 1359 CG LEU A 88 -22.054 -6.662 17.135 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -23.422 -7.137 17.599 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -21.027 -6.828 18.244 1.00 0.00 C ATOM 0 H LEU A 88 -19.527 -8.745 16.481 1.00 0.00 H new ATOM 0 HA LEU A 88 -22.385 -9.278 16.549 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -20.639 -7.032 15.558 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -22.313 -7.140 15.053 1.00 0.00 H new ATOM 0 HG LEU A 88 -22.121 -5.601 16.895 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -23.706 -6.600 18.504 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -24.158 -6.946 16.818 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -23.384 -8.206 17.808 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -21.362 -6.294 19.133 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -20.912 -7.886 18.478 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -20.069 -6.423 17.917 1.00 0.00 H new