USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 734 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 LYS NZ :NH3+ -164:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -2.1 K(o=-2.1,f=-5!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -152:sc= -0.0238 (180deg=-0.714) USER MOD Single : A 27 GLN : amide:sc= -3.61 K(o=-3.6,f=-4.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -49:sc= -0.368 USER MOD Single : A 48 HIS : no HE2:sc= -8.1! C(o=-8.1!,f=-7!) USER MOD Single : A 54 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.38) USER MOD Single : A 55 SER OG : rot 180:sc= -0.509 USER MOD Single : A 58 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.24) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -51:sc= 0.0829 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0.361 K(o=0.36,f=-2.6!) USER MOD Single : A 69 ASN : amide:sc=-0.000604 K(o=-0.0006,f=0.62) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.596 K(o=-0.6,f=-2) USER MOD Single : A 78 LYS NZ :NH3+ -147:sc=-0.000656 (180deg=-1.31) USER MOD Single : A 80 GLN : amide:sc= 0.0577 X(o=0.058,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.0443 K(o=-0.044,f=-0.88) USER MOD Single : A 89 SER OG : rot 140:sc= 0.0671 USER MOD Single : A 90 THR OG1 : rot -67:sc= 0.619 USER MOD Single : A 91 ASN : amide:sc= -2.18 K(o=-2.2,f=-0.58) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LEU A 15 11.107 -3.607 -11.141 1.00 0.00 N ATOM 164 CA LEU A 15 9.843 -3.081 -10.636 1.00 0.00 C ATOM 165 C LEU A 15 8.743 -4.134 -10.720 1.00 0.00 C ATOM 166 O LEU A 15 8.497 -4.705 -11.782 1.00 0.00 O ATOM 167 CB LEU A 15 9.435 -1.836 -11.425 1.00 0.00 C ATOM 168 CG LEU A 15 9.969 -0.503 -10.899 1.00 0.00 C ATOM 169 CD1 LEU A 15 9.742 0.603 -11.918 1.00 0.00 C ATOM 170 CD2 LEU A 15 9.312 -0.151 -9.572 1.00 0.00 C ATOM 0 HA LEU A 15 9.982 -2.811 -9.589 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.770 -1.957 -12.455 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.346 -1.785 -11.447 1.00 0.00 H new ATOM 0 HG LEU A 15 11.042 -0.603 -10.735 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.128 1.544 -11.526 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.260 0.356 -12.845 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.675 0.703 -12.115 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.704 0.800 -9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.234 -0.070 -9.710 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.527 -0.931 -8.841 1.00 0.00 H new ATOM 182 N ALA A 16 8.083 -4.384 -9.594 1.00 0.00 N ATOM 183 CA ALA A 16 7.006 -5.364 -9.542 1.00 0.00 C ATOM 184 C ALA A 16 5.648 -4.682 -9.417 1.00 0.00 C ATOM 185 O ALA A 16 5.500 -3.694 -8.697 1.00 0.00 O ATOM 186 CB ALA A 16 7.223 -6.326 -8.383 1.00 0.00 C ATOM 0 H ALA A 16 8.276 -3.921 -8.706 1.00 0.00 H new ATOM 0 HA ALA A 16 7.016 -5.927 -10.475 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.411 -7.053 -8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.171 -6.847 -8.515 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.242 -5.769 -7.446 1.00 0.00 H new ATOM 192 N THR A 17 4.656 -5.215 -10.125 1.00 0.00 N ATOM 193 CA THR A 17 3.310 -4.656 -10.095 1.00 0.00 C ATOM 194 C THR A 17 2.652 -4.879 -8.738 1.00 0.00 C ATOM 195 O THR A 17 2.345 -6.011 -8.363 1.00 0.00 O ATOM 196 CB THR A 17 2.421 -5.274 -11.191 1.00 0.00 C ATOM 197 OG1 THR A 17 3.081 -5.195 -12.459 1.00 0.00 O ATOM 198 CG2 THR A 17 1.080 -4.560 -11.266 1.00 0.00 C ATOM 0 H THR A 17 4.760 -6.033 -10.726 1.00 0.00 H new ATOM 0 HA THR A 17 3.408 -3.586 -10.277 1.00 0.00 H new ATOM 0 HB THR A 17 2.244 -6.320 -10.938 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.510 -5.591 -13.150 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.469 -5.014 -12.047 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.567 -4.647 -10.308 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.241 -3.507 -11.497 1.00 0.00 H new ATOM 206 N VAL A 18 2.437 -3.791 -8.004 1.00 0.00 N ATOM 207 CA VAL A 18 1.814 -3.868 -6.688 1.00 0.00 C ATOM 208 C VAL A 18 0.451 -3.184 -6.686 1.00 0.00 C ATOM 209 O VAL A 18 0.358 -1.959 -6.606 1.00 0.00 O ATOM 210 CB VAL A 18 2.701 -3.222 -5.608 1.00 0.00 C ATOM 211 CG1 VAL A 18 1.994 -3.228 -4.262 1.00 0.00 C ATOM 212 CG2 VAL A 18 4.040 -3.940 -5.520 1.00 0.00 C ATOM 0 H VAL A 18 2.685 -2.847 -8.299 1.00 0.00 H new ATOM 0 HA VAL A 18 1.688 -4.926 -6.458 1.00 0.00 H new ATOM 0 HB VAL A 18 2.888 -2.185 -5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.636 -2.767 -3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.063 -2.666 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.775 -4.255 -3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.655 -3.471 -4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.875 -4.987 -5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.550 -3.878 -6.481 1.00 0.00 H new ATOM 222 N LYS A 19 -0.606 -3.985 -6.773 1.00 0.00 N ATOM 223 CA LYS A 19 -1.966 -3.459 -6.779 1.00 0.00 C ATOM 224 C LYS A 19 -2.422 -3.114 -5.365 1.00 0.00 C ATOM 225 O LYS A 19 -2.432 -3.969 -4.479 1.00 0.00 O ATOM 226 CB LYS A 19 -2.925 -4.476 -7.401 1.00 0.00 C ATOM 227 CG LYS A 19 -2.683 -4.714 -8.882 1.00 0.00 C ATOM 228 CD LYS A 19 -3.115 -6.109 -9.301 1.00 0.00 C ATOM 229 CE LYS A 19 -4.617 -6.182 -9.528 1.00 0.00 C ATOM 230 NZ LYS A 19 -5.362 -6.371 -8.252 1.00 0.00 N ATOM 0 H LYS A 19 -0.547 -5.001 -6.840 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.974 -2.548 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.832 -5.423 -6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.949 -4.131 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.230 -3.973 -9.465 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.625 -4.578 -9.105 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.593 -6.394 -10.215 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.827 -6.827 -8.533 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.956 -5.267 -10.014 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.842 -7.005 -10.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.253 -6.872 -8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.784 -6.930 -7.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.570 -5.443 -7.831 1.00 0.00 H new ATOM 244 N VAL A 20 -2.801 -1.857 -5.160 1.00 0.00 N ATOM 245 CA VAL A 20 -3.261 -1.399 -3.854 1.00 0.00 C ATOM 246 C VAL A 20 -4.778 -1.250 -3.827 1.00 0.00 C ATOM 247 O VAL A 20 -5.378 -0.724 -4.765 1.00 0.00 O ATOM 248 CB VAL A 20 -2.617 -0.054 -3.472 1.00 0.00 C ATOM 249 CG1 VAL A 20 -3.178 0.451 -2.151 1.00 0.00 C ATOM 250 CG2 VAL A 20 -1.103 -0.189 -3.401 1.00 0.00 C ATOM 0 H VAL A 20 -2.799 -1.137 -5.882 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.960 -2.156 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.858 0.676 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.711 1.403 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.255 0.588 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.970 -0.276 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.664 0.771 -3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.839 -0.934 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.720 -0.502 -4.372 1.00 0.00 H new ATOM 260 N VAL A 21 -5.394 -1.716 -2.745 1.00 0.00 N ATOM 261 CA VAL A 21 -6.842 -1.633 -2.595 1.00 0.00 C ATOM 262 C VAL A 21 -7.220 -0.947 -1.287 1.00 0.00 C ATOM 263 O VAL A 21 -6.747 -1.327 -0.214 1.00 0.00 O ATOM 264 CB VAL A 21 -7.491 -3.029 -2.635 1.00 0.00 C ATOM 265 CG1 VAL A 21 -9.008 -2.913 -2.641 1.00 0.00 C ATOM 266 CG2 VAL A 21 -7.004 -3.808 -3.848 1.00 0.00 C ATOM 0 H VAL A 21 -4.913 -2.155 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.214 -1.043 -3.433 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.195 -3.574 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.449 -3.909 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.337 -2.396 -1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.326 -2.350 -3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.473 -4.792 -3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.269 -3.268 -4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.921 -3.922 -3.796 1.00 0.00 H new ATOM 276 N LEU A 22 -8.075 0.065 -1.382 1.00 0.00 N ATOM 277 CA LEU A 22 -8.518 0.805 -0.205 1.00 0.00 C ATOM 278 C LEU A 22 -9.563 0.014 0.575 1.00 0.00 C ATOM 279 O LEU A 22 -10.566 -0.429 0.014 1.00 0.00 O ATOM 280 CB LEU A 22 -9.093 2.161 -0.618 1.00 0.00 C ATOM 281 CG LEU A 22 -8.072 3.260 -0.918 1.00 0.00 C ATOM 282 CD1 LEU A 22 -8.725 4.402 -1.680 1.00 0.00 C ATOM 283 CD2 LEU A 22 -7.441 3.767 0.370 1.00 0.00 C ATOM 0 H LEU A 22 -8.475 0.392 -2.261 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.654 0.964 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.712 2.016 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.751 2.511 0.177 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.285 2.838 -1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.983 5.174 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.128 4.028 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.532 4.824 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.717 4.548 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.216 4.172 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.937 2.944 0.876 1.00 0.00 H new ATOM 295 N ILE A 23 -9.322 -0.159 1.870 1.00 0.00 N ATOM 296 CA ILE A 23 -10.244 -0.894 2.727 1.00 0.00 C ATOM 297 C ILE A 23 -11.515 -0.092 2.982 1.00 0.00 C ATOM 298 O ILE A 23 -12.626 -0.529 2.678 1.00 0.00 O ATOM 299 CB ILE A 23 -9.595 -1.250 4.077 1.00 0.00 C ATOM 300 CG1 ILE A 23 -8.915 -2.618 3.997 1.00 0.00 C ATOM 301 CG2 ILE A 23 -10.637 -1.234 5.186 1.00 0.00 C ATOM 302 CD1 ILE A 23 -9.873 -3.752 3.706 1.00 0.00 C ATOM 0 H ILE A 23 -8.496 0.200 2.349 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.498 -1.815 2.201 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.836 -0.502 4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.151 -2.590 3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.405 -2.817 4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.163 -1.488 6.134 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.079 -0.240 5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.416 -1.963 4.964 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.322 -4.692 3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.623 -3.806 4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.365 -3.576 2.749 1.00 0.00 H new ATOM 314 N PRO A 24 -11.352 1.111 3.551 1.00 0.00 N ATOM 315 CA PRO A 24 -12.475 2.001 3.858 1.00 0.00 C ATOM 316 C PRO A 24 -13.119 2.575 2.600 1.00 0.00 C ATOM 317 O PRO A 24 -14.307 2.901 2.592 1.00 0.00 O ATOM 318 CB PRO A 24 -11.830 3.116 4.685 1.00 0.00 C ATOM 319 CG PRO A 24 -10.402 3.123 4.260 1.00 0.00 C ATOM 320 CD PRO A 24 -10.057 1.695 3.940 1.00 0.00 C ATOM 0 HA PRO A 24 -13.279 1.479 4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.305 4.078 4.492 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.924 2.922 5.753 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.257 3.764 3.390 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.761 3.511 5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.328 1.629 3.133 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.627 1.183 4.801 1.00 0.00 H new ATOM 328 N VAL A 25 -12.329 2.697 1.539 1.00 0.00 N ATOM 329 CA VAL A 25 -12.823 3.230 0.275 1.00 0.00 C ATOM 330 C VAL A 25 -13.255 2.109 -0.663 1.00 0.00 C ATOM 331 O VAL A 25 -14.379 2.103 -1.164 1.00 0.00 O ATOM 332 CB VAL A 25 -11.754 4.089 -0.428 1.00 0.00 C ATOM 333 CG1 VAL A 25 -12.401 5.025 -1.437 1.00 0.00 C ATOM 334 CG2 VAL A 25 -10.943 4.871 0.595 1.00 0.00 C ATOM 0 H VAL A 25 -11.344 2.434 1.529 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.684 3.855 0.510 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.076 3.427 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.631 5.624 -1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.934 4.440 -2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.103 5.683 -0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.193 5.472 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.606 5.525 1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.449 4.177 1.275 1.00 0.00 H new ATOM 344 N GLY A 26 -12.354 1.160 -0.898 1.00 0.00 N ATOM 345 CA GLY A 26 -12.662 0.046 -1.775 1.00 0.00 C ATOM 346 C GLY A 26 -12.165 0.268 -3.190 1.00 0.00 C ATOM 347 O GLY A 26 -12.314 -0.600 -4.050 1.00 0.00 O ATOM 0 H GLY A 26 -11.416 1.143 -0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.214 -0.863 -1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.740 -0.111 -1.792 1.00 0.00 H new ATOM 351 N GLN A 27 -11.574 1.434 -3.432 1.00 0.00 N ATOM 352 CA GLN A 27 -11.056 1.768 -4.753 1.00 0.00 C ATOM 353 C GLN A 27 -9.751 1.027 -5.029 1.00 0.00 C ATOM 354 O GLN A 27 -9.007 0.699 -4.107 1.00 0.00 O ATOM 355 CB GLN A 27 -10.835 3.277 -4.872 1.00 0.00 C ATOM 356 CG GLN A 27 -10.646 3.753 -6.302 1.00 0.00 C ATOM 357 CD GLN A 27 -10.611 5.265 -6.414 1.00 0.00 C ATOM 358 OE1 GLN A 27 -11.521 5.878 -6.973 1.00 0.00 O ATOM 359 NE2 GLN A 27 -9.559 5.874 -5.882 1.00 0.00 N ATOM 0 H GLN A 27 -11.442 2.163 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.793 1.457 -5.494 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.688 3.796 -4.435 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.958 3.555 -4.287 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.718 3.342 -6.698 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.456 3.365 -6.920 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.828 5.326 -5.428 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.481 6.890 -5.927 1.00 0.00 H new ATOM 368 N GLU A 28 -9.482 0.768 -6.305 1.00 0.00 N ATOM 369 CA GLU A 28 -8.267 0.066 -6.701 1.00 0.00 C ATOM 370 C GLU A 28 -7.255 1.031 -7.311 1.00 0.00 C ATOM 371 O GLU A 28 -7.609 1.889 -8.120 1.00 0.00 O ATOM 372 CB GLU A 28 -8.597 -1.044 -7.702 1.00 0.00 C ATOM 373 CG GLU A 28 -9.172 -2.294 -7.057 1.00 0.00 C ATOM 374 CD GLU A 28 -9.550 -3.354 -8.073 1.00 0.00 C ATOM 375 OE1 GLU A 28 -8.845 -3.472 -9.097 1.00 0.00 O ATOM 376 OE2 GLU A 28 -10.551 -4.065 -7.846 1.00 0.00 O ATOM 0 H GLU A 28 -10.088 1.033 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.827 -0.378 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.309 -0.662 -8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.692 -1.310 -8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.442 -2.707 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.053 -2.025 -6.474 1.00 0.00 H new ATOM 383 N ILE A 29 -5.995 0.884 -6.917 1.00 0.00 N ATOM 384 CA ILE A 29 -4.931 1.741 -7.425 1.00 0.00 C ATOM 385 C ILE A 29 -3.716 0.920 -7.844 1.00 0.00 C ATOM 386 O ILE A 29 -3.196 0.120 -7.067 1.00 0.00 O ATOM 387 CB ILE A 29 -4.496 2.781 -6.374 1.00 0.00 C ATOM 388 CG1 ILE A 29 -5.690 3.638 -5.949 1.00 0.00 C ATOM 389 CG2 ILE A 29 -3.379 3.654 -6.925 1.00 0.00 C ATOM 390 CD1 ILE A 29 -5.329 4.735 -4.973 1.00 0.00 C ATOM 0 H ILE A 29 -5.686 0.179 -6.247 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.333 2.261 -8.295 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.120 2.255 -5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.140 4.085 -6.835 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.446 2.995 -5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.082 4.384 -6.172 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.523 3.030 -7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.730 4.175 -7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.224 5.302 -4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.907 4.294 -4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.596 5.401 -5.429 1.00 0.00 H new ATOM 402 N VAL A 30 -3.267 1.126 -9.078 1.00 0.00 N ATOM 403 CA VAL A 30 -2.111 0.408 -9.601 1.00 0.00 C ATOM 404 C VAL A 30 -0.912 1.336 -9.759 1.00 0.00 C ATOM 405 O VAL A 30 -0.972 2.325 -10.489 1.00 0.00 O ATOM 406 CB VAL A 30 -2.424 -0.245 -10.961 1.00 0.00 C ATOM 407 CG1 VAL A 30 -1.138 -0.634 -11.674 1.00 0.00 C ATOM 408 CG2 VAL A 30 -3.328 -1.454 -10.776 1.00 0.00 C ATOM 0 H VAL A 30 -3.687 1.785 -9.734 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.870 -0.372 -8.879 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.950 0.481 -11.581 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.378 -1.094 -12.633 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.531 0.256 -11.840 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.582 -1.343 -11.061 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.539 -1.903 -11.747 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.831 -2.185 -10.138 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.263 -1.142 -10.310 1.00 0.00 H new ATOM 418 N ILE A 31 0.176 1.010 -9.069 1.00 0.00 N ATOM 419 CA ILE A 31 1.390 1.815 -9.134 1.00 0.00 C ATOM 420 C ILE A 31 2.634 0.933 -9.124 1.00 0.00 C ATOM 421 O ILE A 31 2.737 -0.030 -8.365 1.00 0.00 O ATOM 422 CB ILE A 31 1.470 2.809 -7.961 1.00 0.00 C ATOM 423 CG1 ILE A 31 2.689 3.720 -8.117 1.00 0.00 C ATOM 424 CG2 ILE A 31 1.526 2.062 -6.636 1.00 0.00 C ATOM 425 CD1 ILE A 31 3.077 4.436 -6.843 1.00 0.00 C ATOM 0 H ILE A 31 0.242 0.195 -8.459 1.00 0.00 H new ATOM 0 HA ILE A 31 1.350 2.373 -10.070 1.00 0.00 H new ATOM 0 HB ILE A 31 0.574 3.429 -7.969 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.535 3.125 -8.462 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.483 4.459 -8.891 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.582 2.778 -5.816 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.630 1.452 -6.524 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.406 1.420 -6.617 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.949 5.063 -7.029 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.247 5.058 -6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.315 3.703 -6.072 1.00 0.00 H new ATOM 437 N PRO A 32 3.605 1.270 -9.986 1.00 0.00 N ATOM 438 CA PRO A 32 4.862 0.524 -10.095 1.00 0.00 C ATOM 439 C PRO A 32 5.752 0.706 -8.870 1.00 0.00 C ATOM 440 O PRO A 32 6.110 1.828 -8.511 1.00 0.00 O ATOM 441 CB PRO A 32 5.527 1.128 -11.334 1.00 0.00 C ATOM 442 CG PRO A 32 4.960 2.501 -11.437 1.00 0.00 C ATOM 443 CD PRO A 32 3.550 2.407 -10.921 1.00 0.00 C ATOM 0 HA PRO A 32 4.693 -0.551 -10.166 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.611 1.155 -11.228 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.308 0.541 -12.226 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.544 3.209 -10.850 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.975 2.853 -12.468 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.243 3.325 -10.420 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.838 2.231 -11.727 1.00 0.00 H new ATOM 451 N PHE A 33 6.106 -0.405 -8.232 1.00 0.00 N ATOM 452 CA PHE A 33 6.954 -0.367 -7.046 1.00 0.00 C ATOM 453 C PHE A 33 8.096 -1.373 -7.163 1.00 0.00 C ATOM 454 O PHE A 33 7.987 -2.376 -7.868 1.00 0.00 O ATOM 455 CB PHE A 33 6.128 -0.661 -5.792 1.00 0.00 C ATOM 456 CG PHE A 33 6.743 -0.126 -4.530 1.00 0.00 C ATOM 457 CD1 PHE A 33 7.233 1.169 -4.478 1.00 0.00 C ATOM 458 CD2 PHE A 33 6.830 -0.918 -3.397 1.00 0.00 C ATOM 459 CE1 PHE A 33 7.799 1.664 -3.318 1.00 0.00 C ATOM 460 CE2 PHE A 33 7.395 -0.428 -2.235 1.00 0.00 C ATOM 461 CZ PHE A 33 7.881 0.864 -2.195 1.00 0.00 C ATOM 0 H PHE A 33 5.819 -1.342 -8.516 1.00 0.00 H new ATOM 0 HA PHE A 33 7.379 0.633 -6.966 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.134 -0.231 -5.913 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.000 -1.739 -5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.172 1.799 -5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.452 -1.929 -3.422 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.177 2.675 -3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 33 7.456 -1.055 -1.358 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.324 1.248 -1.288 1.00 0.00 H new ATOM 471 N LYS A 34 9.193 -1.096 -6.465 1.00 0.00 N ATOM 472 CA LYS A 34 10.356 -1.975 -6.488 1.00 0.00 C ATOM 473 C LYS A 34 10.295 -2.989 -5.350 1.00 0.00 C ATOM 474 O LYS A 34 9.728 -2.716 -4.292 1.00 0.00 O ATOM 475 CB LYS A 34 11.644 -1.154 -6.385 1.00 0.00 C ATOM 476 CG LYS A 34 11.483 0.131 -5.591 1.00 0.00 C ATOM 477 CD LYS A 34 11.074 1.291 -6.484 1.00 0.00 C ATOM 478 CE LYS A 34 11.602 2.615 -5.953 1.00 0.00 C ATOM 479 NZ LYS A 34 10.973 3.778 -6.639 1.00 0.00 N ATOM 0 H LYS A 34 9.300 -0.270 -5.877 1.00 0.00 H new ATOM 0 HA LYS A 34 10.352 -2.516 -7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.418 -1.764 -5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.991 -0.910 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.733 -0.012 -4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.421 0.370 -5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.452 1.126 -7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.987 1.333 -6.553 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.411 2.679 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.683 2.655 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.359 4.661 -6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.176 3.731 -7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.944 3.754 -6.490 1.00 0.00 H new ATOM 493 N VAL A 35 10.884 -4.159 -5.574 1.00 0.00 N ATOM 494 CA VAL A 35 10.899 -5.213 -4.566 1.00 0.00 C ATOM 495 C VAL A 35 12.112 -5.082 -3.652 1.00 0.00 C ATOM 496 O VAL A 35 12.171 -5.700 -2.589 1.00 0.00 O ATOM 497 CB VAL A 35 10.906 -6.610 -5.214 1.00 0.00 C ATOM 498 CG1 VAL A 35 9.698 -6.784 -6.121 1.00 0.00 C ATOM 499 CG2 VAL A 35 12.199 -6.832 -5.986 1.00 0.00 C ATOM 0 H VAL A 35 11.357 -4.401 -6.445 1.00 0.00 H new ATOM 0 HA VAL A 35 9.989 -5.100 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 35 10.848 -7.359 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.720 -7.777 -6.570 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.785 -6.670 -5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.722 -6.030 -6.907 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.187 -7.824 -6.438 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.290 -6.078 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.047 -6.753 -5.306 1.00 0.00 H new ATOM 509 N ASP A 36 13.078 -4.274 -4.073 1.00 0.00 N ATOM 510 CA ASP A 36 14.291 -4.060 -3.291 1.00 0.00 C ATOM 511 C ASP A 36 14.076 -2.976 -2.239 1.00 0.00 C ATOM 512 O ASP A 36 14.666 -3.017 -1.160 1.00 0.00 O ATOM 513 CB ASP A 36 15.453 -3.675 -4.208 1.00 0.00 C ATOM 514 CG ASP A 36 16.507 -2.853 -3.493 1.00 0.00 C ATOM 515 OD1 ASP A 36 16.286 -1.639 -3.303 1.00 0.00 O ATOM 516 OD2 ASP A 36 17.553 -3.425 -3.122 1.00 0.00 O ATOM 0 H ASP A 36 13.045 -3.756 -4.951 1.00 0.00 H new ATOM 0 HA ASP A 36 14.534 -4.992 -2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 36 15.911 -4.579 -4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.070 -3.109 -5.057 1.00 0.00 H new ATOM 521 N THR A 37 13.226 -2.005 -2.562 1.00 0.00 N ATOM 522 CA THR A 37 12.935 -0.909 -1.647 1.00 0.00 C ATOM 523 C THR A 37 11.867 -1.308 -0.635 1.00 0.00 C ATOM 524 O THR A 37 10.887 -1.969 -0.980 1.00 0.00 O ATOM 525 CB THR A 37 12.464 0.346 -2.406 1.00 0.00 C ATOM 526 OG1 THR A 37 13.559 0.922 -3.126 1.00 0.00 O ATOM 527 CG2 THR A 37 11.885 1.374 -1.445 1.00 0.00 C ATOM 0 H THR A 37 12.728 -1.956 -3.451 1.00 0.00 H new ATOM 0 HA THR A 37 13.862 -0.680 -1.122 1.00 0.00 H new ATOM 0 HB THR A 37 11.685 0.049 -3.108 1.00 0.00 H new ATOM 0 HG1 THR A 37 13.251 1.718 -3.607 1.00 0.00 H new ATOM 0 HG21 THR A 37 11.559 2.251 -2.004 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.034 0.942 -0.919 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.647 1.666 -0.723 1.00 0.00 H new ATOM 535 N ILE A 38 12.062 -0.901 0.615 1.00 0.00 N ATOM 536 CA ILE A 38 11.114 -1.215 1.677 1.00 0.00 C ATOM 537 C ILE A 38 9.700 -0.793 1.293 1.00 0.00 C ATOM 538 O ILE A 38 9.481 -0.208 0.231 1.00 0.00 O ATOM 539 CB ILE A 38 11.502 -0.527 2.999 1.00 0.00 C ATOM 540 CG1 ILE A 38 11.930 0.919 2.741 1.00 0.00 C ATOM 541 CG2 ILE A 38 12.615 -1.299 3.691 1.00 0.00 C ATOM 542 CD1 ILE A 38 12.088 1.738 4.003 1.00 0.00 C ATOM 0 H ILE A 38 12.868 -0.353 0.917 1.00 0.00 H new ATOM 0 HA ILE A 38 11.143 -2.296 1.817 1.00 0.00 H new ATOM 0 HB ILE A 38 10.631 -0.517 3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.875 0.918 2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.193 1.398 2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 38 12.878 -0.800 4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.276 -2.313 3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 38 13.489 -1.338 3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.393 2.752 3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.138 1.770 4.537 1.00 0.00 H new ATOM 0 HD13 ILE A 38 12.847 1.283 4.639 1.00 0.00 H new ATOM 554 N LEU A 39 8.742 -1.092 2.164 1.00 0.00 N ATOM 555 CA LEU A 39 7.348 -0.742 1.918 1.00 0.00 C ATOM 556 C LEU A 39 7.050 0.677 2.392 1.00 0.00 C ATOM 557 O LEU A 39 6.012 1.250 2.060 1.00 0.00 O ATOM 558 CB LEU A 39 6.421 -1.732 2.625 1.00 0.00 C ATOM 559 CG LEU A 39 6.311 -3.119 1.990 1.00 0.00 C ATOM 560 CD1 LEU A 39 5.913 -4.153 3.031 1.00 0.00 C ATOM 561 CD2 LEU A 39 5.311 -3.103 0.843 1.00 0.00 C ATOM 0 H LEU A 39 8.906 -1.576 3.047 1.00 0.00 H new ATOM 0 HA LEU A 39 7.172 -0.791 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.765 -1.851 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.423 -1.295 2.671 1.00 0.00 H new ATOM 0 HG LEU A 39 7.288 -3.393 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.840 -5.133 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.665 -4.184 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.948 -3.884 3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.246 -4.098 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.331 -2.807 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.639 -2.392 0.085 1.00 0.00 H new ATOM 573 N LYS A 40 7.969 1.241 3.169 1.00 0.00 N ATOM 574 CA LYS A 40 7.809 2.594 3.686 1.00 0.00 C ATOM 575 C LYS A 40 7.767 3.610 2.549 1.00 0.00 C ATOM 576 O LYS A 40 6.824 4.395 2.439 1.00 0.00 O ATOM 577 CB LYS A 40 8.951 2.934 4.646 1.00 0.00 C ATOM 578 CG LYS A 40 8.631 4.079 5.592 1.00 0.00 C ATOM 579 CD LYS A 40 9.815 4.414 6.484 1.00 0.00 C ATOM 580 CE LYS A 40 10.858 5.234 5.740 1.00 0.00 C ATOM 581 NZ LYS A 40 11.991 5.624 6.624 1.00 0.00 N ATOM 0 H LYS A 40 8.833 0.781 3.454 1.00 0.00 H new ATOM 0 HA LYS A 40 6.863 2.640 4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.198 2.048 5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.838 3.190 4.066 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.348 4.960 5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.773 3.813 6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.469 4.968 7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.268 3.493 6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.238 4.659 4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.391 6.130 5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.680 6.181 6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.633 6.195 7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.453 4.769 6.994 1.00 0.00 H new ATOM 595 N TYR A 41 8.793 3.590 1.706 1.00 0.00 N ATOM 596 CA TYR A 41 8.873 4.510 0.577 1.00 0.00 C ATOM 597 C TYR A 41 7.491 4.767 -0.015 1.00 0.00 C ATOM 598 O TYR A 41 7.069 5.915 -0.161 1.00 0.00 O ATOM 599 CB TYR A 41 9.806 3.950 -0.498 1.00 0.00 C ATOM 600 CG TYR A 41 11.250 4.360 -0.321 1.00 0.00 C ATOM 601 CD1 TYR A 41 11.927 4.097 0.863 1.00 0.00 C ATOM 602 CD2 TYR A 41 11.938 5.010 -1.338 1.00 0.00 C ATOM 603 CE1 TYR A 41 13.246 4.471 1.030 1.00 0.00 C ATOM 604 CE2 TYR A 41 13.258 5.386 -1.181 1.00 0.00 C ATOM 605 CZ TYR A 41 13.908 5.115 0.005 1.00 0.00 C ATOM 606 OH TYR A 41 15.222 5.488 0.167 1.00 0.00 O ATOM 0 H TYR A 41 9.581 2.947 1.783 1.00 0.00 H new ATOM 0 HA TYR A 41 9.274 5.457 0.939 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.743 2.862 -0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.460 4.283 -1.477 1.00 0.00 H new ATOM 0 HD1 TYR A 41 11.413 3.591 1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.432 5.225 -2.268 1.00 0.00 H new ATOM 0 HE1 TYR A 41 13.757 4.260 1.958 1.00 0.00 H new ATOM 0 HE2 TYR A 41 13.778 5.889 -1.983 1.00 0.00 H new ATOM 0 HH TYR A 41 15.540 5.929 -0.648 1.00 0.00 H new ATOM 616 N LEU A 42 6.791 3.690 -0.355 1.00 0.00 N ATOM 617 CA LEU A 42 5.455 3.797 -0.931 1.00 0.00 C ATOM 618 C LEU A 42 4.475 4.395 0.073 1.00 0.00 C ATOM 619 O LEU A 42 3.633 5.222 -0.281 1.00 0.00 O ATOM 620 CB LEU A 42 4.962 2.422 -1.385 1.00 0.00 C ATOM 621 CG LEU A 42 3.759 2.418 -2.328 1.00 0.00 C ATOM 622 CD1 LEU A 42 4.110 3.093 -3.645 1.00 0.00 C ATOM 623 CD2 LEU A 42 3.275 0.995 -2.569 1.00 0.00 C ATOM 0 H LEU A 42 7.126 2.733 -0.242 1.00 0.00 H new ATOM 0 HA LEU A 42 5.511 4.460 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.787 1.907 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.706 1.839 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 42 2.952 2.981 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.241 3.080 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.408 4.124 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.933 2.558 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.418 1.011 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.077 0.409 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.982 0.545 -1.620 1.00 0.00 H new ATOM 635 N LYS A 43 4.590 3.974 1.328 1.00 0.00 N ATOM 636 CA LYS A 43 3.717 4.470 2.385 1.00 0.00 C ATOM 637 C LYS A 43 3.673 5.994 2.384 1.00 0.00 C ATOM 638 O LYS A 43 2.598 6.594 2.425 1.00 0.00 O ATOM 639 CB LYS A 43 4.195 3.964 3.748 1.00 0.00 C ATOM 640 CG LYS A 43 3.169 4.136 4.855 1.00 0.00 C ATOM 641 CD LYS A 43 3.456 3.215 6.029 1.00 0.00 C ATOM 642 CE LYS A 43 2.791 1.859 5.850 1.00 0.00 C ATOM 643 NZ LYS A 43 3.300 0.858 6.828 1.00 0.00 N ATOM 0 H LYS A 43 5.280 3.290 1.638 1.00 0.00 H new ATOM 0 HA LYS A 43 2.711 4.095 2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.453 2.908 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.107 4.494 4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.170 5.172 5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.173 3.929 4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.533 3.082 6.134 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.101 3.677 6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.713 1.965 5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.968 1.499 4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.822 -0.053 6.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.325 0.737 6.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.109 1.189 7.795 1.00 0.00 H new ATOM 657 N ASP A 44 4.846 6.616 2.335 1.00 0.00 N ATOM 658 CA ASP A 44 4.941 8.071 2.325 1.00 0.00 C ATOM 659 C ASP A 44 4.129 8.661 1.176 1.00 0.00 C ATOM 660 O ASP A 44 3.392 9.630 1.356 1.00 0.00 O ATOM 661 CB ASP A 44 6.402 8.507 2.211 1.00 0.00 C ATOM 662 CG ASP A 44 6.651 9.866 2.837 1.00 0.00 C ATOM 663 OD1 ASP A 44 5.973 10.836 2.440 1.00 0.00 O ATOM 664 OD2 ASP A 44 7.524 9.958 3.725 1.00 0.00 O ATOM 0 H ASP A 44 5.745 6.135 2.302 1.00 0.00 H new ATOM 0 HA ASP A 44 4.531 8.444 3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.038 7.765 2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.688 8.536 1.160 1.00 0.00 H new ATOM 669 N HIS A 45 4.271 8.070 -0.006 1.00 0.00 N ATOM 670 CA HIS A 45 3.552 8.538 -1.186 1.00 0.00 C ATOM 671 C HIS A 45 2.090 8.823 -0.853 1.00 0.00 C ATOM 672 O HIS A 45 1.496 9.764 -1.379 1.00 0.00 O ATOM 673 CB HIS A 45 3.639 7.501 -2.306 1.00 0.00 C ATOM 674 CG HIS A 45 3.497 8.088 -3.677 1.00 0.00 C ATOM 675 ND1 HIS A 45 4.500 8.043 -4.622 1.00 0.00 N ATOM 676 CD2 HIS A 45 2.460 8.733 -4.261 1.00 0.00 C ATOM 677 CE1 HIS A 45 4.087 8.638 -5.727 1.00 0.00 C ATOM 678 NE2 HIS A 45 2.852 9.065 -5.535 1.00 0.00 N ATOM 0 H HIS A 45 4.877 7.267 -0.172 1.00 0.00 H new ATOM 0 HA HIS A 45 4.018 9.465 -1.522 1.00 0.00 H new ATOM 0 HB2 HIS A 45 4.596 6.984 -2.238 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.861 6.752 -2.158 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.503 8.947 -3.809 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.662 8.755 -6.634 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.282 9.560 -6.221 1.00 0.00 H new ATOM 687 N PHE A 46 1.517 8.005 0.023 1.00 0.00 N ATOM 688 CA PHE A 46 0.125 8.169 0.425 1.00 0.00 C ATOM 689 C PHE A 46 0.015 9.071 1.651 1.00 0.00 C ATOM 690 O PHE A 46 -0.708 10.067 1.638 1.00 0.00 O ATOM 691 CB PHE A 46 -0.506 6.807 0.722 1.00 0.00 C ATOM 692 CG PHE A 46 -0.818 6.009 -0.512 1.00 0.00 C ATOM 693 CD1 PHE A 46 0.195 5.396 -1.231 1.00 0.00 C ATOM 694 CD2 PHE A 46 -2.125 5.873 -0.952 1.00 0.00 C ATOM 695 CE1 PHE A 46 -0.090 4.660 -2.367 1.00 0.00 C ATOM 696 CE2 PHE A 46 -2.415 5.139 -2.087 1.00 0.00 C ATOM 697 CZ PHE A 46 -1.396 4.533 -2.795 1.00 0.00 C ATOM 0 H PHE A 46 1.995 7.222 0.468 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.412 8.639 -0.399 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.170 6.233 1.355 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.424 6.957 1.290 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.219 5.494 -0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.926 6.345 -0.402 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.708 4.185 -2.918 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.438 5.040 -2.420 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.621 3.960 -3.683 1.00 0.00 H new ATOM 707 N SER A 47 0.737 8.713 2.708 1.00 0.00 N ATOM 708 CA SER A 47 0.718 9.487 3.944 1.00 0.00 C ATOM 709 C SER A 47 0.634 10.982 3.647 1.00 0.00 C ATOM 710 O SER A 47 -0.089 11.719 4.318 1.00 0.00 O ATOM 711 CB SER A 47 1.967 9.190 4.775 1.00 0.00 C ATOM 712 OG SER A 47 3.087 9.910 4.289 1.00 0.00 O ATOM 0 H SER A 47 1.342 7.892 2.733 1.00 0.00 H new ATOM 0 HA SER A 47 -0.165 9.197 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.785 9.454 5.817 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.179 8.121 4.749 1.00 0.00 H new ATOM 0 HG SER A 47 3.156 9.792 3.319 1.00 0.00 H new ATOM 718 N HIS A 48 1.378 11.421 2.638 1.00 0.00 N ATOM 719 CA HIS A 48 1.388 12.828 2.252 1.00 0.00 C ATOM 720 C HIS A 48 0.132 13.183 1.462 1.00 0.00 C ATOM 721 O HIS A 48 -0.596 14.111 1.817 1.00 0.00 O ATOM 722 CB HIS A 48 2.633 13.142 1.421 1.00 0.00 C ATOM 723 CG HIS A 48 2.432 12.958 -0.052 1.00 0.00 C ATOM 724 ND1 HIS A 48 2.913 11.869 -0.747 1.00 0.00 N ATOM 725 CD2 HIS A 48 1.795 13.732 -0.962 1.00 0.00 C ATOM 726 CE1 HIS A 48 2.583 11.981 -2.021 1.00 0.00 C ATOM 727 NE2 HIS A 48 1.904 13.103 -2.178 1.00 0.00 N ATOM 0 H HIS A 48 1.982 10.824 2.073 1.00 0.00 H new ATOM 0 HA HIS A 48 1.406 13.429 3.161 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.937 14.171 1.612 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.451 12.501 1.751 1.00 0.00 H new ATOM 0 HD1 HIS A 48 3.441 11.097 -0.341 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.295 14.669 -0.768 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.827 11.275 -2.801 1.00 0.00 H new ATOM 736 N LEU A 49 -0.116 12.440 0.389 1.00 0.00 N ATOM 737 CA LEU A 49 -1.284 12.677 -0.452 1.00 0.00 C ATOM 738 C LEU A 49 -2.562 12.685 0.381 1.00 0.00 C ATOM 739 O LEU A 49 -3.260 13.698 0.457 1.00 0.00 O ATOM 740 CB LEU A 49 -1.379 11.606 -1.541 1.00 0.00 C ATOM 741 CG LEU A 49 -2.378 11.879 -2.665 1.00 0.00 C ATOM 742 CD1 LEU A 49 -3.765 12.136 -2.097 1.00 0.00 C ATOM 743 CD2 LEU A 49 -1.919 13.059 -3.511 1.00 0.00 C ATOM 0 H LEU A 49 0.476 11.669 0.081 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.171 13.655 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.391 11.477 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.643 10.659 -1.070 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.428 10.997 -3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.462 12.328 -2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.096 11.262 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.733 13.002 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.642 13.239 -4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.840 13.947 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.946 12.836 -3.949 1.00 0.00 H new ATOM 755 N LEU A 50 -2.863 11.552 1.005 1.00 0.00 N ATOM 756 CA LEU A 50 -4.056 11.429 1.836 1.00 0.00 C ATOM 757 C LEU A 50 -4.090 12.516 2.905 1.00 0.00 C ATOM 758 O LEU A 50 -5.155 12.875 3.406 1.00 0.00 O ATOM 759 CB LEU A 50 -4.104 10.049 2.494 1.00 0.00 C ATOM 760 CG LEU A 50 -4.420 8.874 1.567 1.00 0.00 C ATOM 761 CD1 LEU A 50 -4.154 7.553 2.271 1.00 0.00 C ATOM 762 CD2 LEU A 50 -5.864 8.945 1.091 1.00 0.00 C ATOM 0 H LEU A 50 -2.297 10.705 0.952 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.929 11.549 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.141 9.862 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.852 10.072 3.286 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.767 8.936 0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.384 6.728 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.105 7.501 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.782 7.481 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.072 8.102 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.533 8.907 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.023 9.877 0.548 1.00 0.00 H new ATOM 774 N GLY A 51 -2.916 13.039 3.248 1.00 0.00 N ATOM 775 CA GLY A 51 -2.834 14.081 4.254 1.00 0.00 C ATOM 776 C GLY A 51 -2.894 13.532 5.665 1.00 0.00 C ATOM 777 O GLY A 51 -3.445 14.169 6.564 1.00 0.00 O ATOM 0 H GLY A 51 -2.021 12.759 2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.905 14.636 4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.651 14.788 4.108 1.00 0.00 H new ATOM 781 N ILE A 52 -2.328 12.345 5.861 1.00 0.00 N ATOM 782 CA ILE A 52 -2.320 11.710 7.173 1.00 0.00 C ATOM 783 C ILE A 52 -0.972 11.059 7.460 1.00 0.00 C ATOM 784 O ILE A 52 -0.259 10.624 6.555 1.00 0.00 O ATOM 785 CB ILE A 52 -3.427 10.646 7.289 1.00 0.00 C ATOM 786 CG1 ILE A 52 -3.192 9.521 6.279 1.00 0.00 C ATOM 787 CG2 ILE A 52 -4.794 11.278 7.077 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.186 8.387 6.394 1.00 0.00 C ATOM 0 H ILE A 52 -1.869 11.804 5.128 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.504 12.496 7.906 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.397 10.220 8.292 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.239 9.933 5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.185 9.126 6.415 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.566 10.513 7.162 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.960 12.047 7.832 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.837 11.728 6.085 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.958 7.626 5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.124 7.948 7.390 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.194 8.768 6.228 1.00 0.00 H new ATOM 800 N PRO A 53 -0.612 10.988 8.750 1.00 0.00 N ATOM 801 CA PRO A 53 0.652 10.389 9.188 1.00 0.00 C ATOM 802 C PRO A 53 0.674 8.876 8.997 1.00 0.00 C ATOM 803 O PRO A 53 -0.268 8.179 9.378 1.00 0.00 O ATOM 804 CB PRO A 53 0.716 10.742 10.676 1.00 0.00 C ATOM 805 CG PRO A 53 -0.706 10.923 11.083 1.00 0.00 C ATOM 806 CD PRO A 53 -1.412 11.487 9.882 1.00 0.00 C ATOM 0 HA PRO A 53 1.500 10.760 8.612 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.195 9.949 11.251 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.294 11.651 10.843 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.149 9.974 11.386 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.785 11.598 11.935 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.445 11.144 9.826 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.438 12.576 9.906 1.00 0.00 H new ATOM 814 N HIS A 54 1.753 8.374 8.407 1.00 0.00 N ATOM 815 CA HIS A 54 1.897 6.942 8.167 1.00 0.00 C ATOM 816 C HIS A 54 1.770 6.158 9.469 1.00 0.00 C ATOM 817 O HIS A 54 1.616 4.936 9.457 1.00 0.00 O ATOM 818 CB HIS A 54 3.245 6.647 7.509 1.00 0.00 C ATOM 819 CG HIS A 54 4.405 7.289 8.206 1.00 0.00 C ATOM 820 ND1 HIS A 54 4.947 6.797 9.375 1.00 0.00 N ATOM 821 CD2 HIS A 54 5.127 8.390 7.892 1.00 0.00 C ATOM 822 CE1 HIS A 54 5.952 7.568 9.750 1.00 0.00 C ATOM 823 NE2 HIS A 54 6.082 8.542 8.867 1.00 0.00 N ATOM 0 H HIS A 54 2.541 8.937 8.086 1.00 0.00 H new ATOM 0 HA HIS A 54 1.098 6.629 7.496 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.399 5.568 7.483 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.218 6.990 6.475 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.979 9.030 7.034 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.563 7.426 10.629 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.779 9.286 8.904 1.00 0.00 H new ATOM 832 N SER A 55 1.836 6.868 10.591 1.00 0.00 N ATOM 833 CA SER A 55 1.733 6.237 11.902 1.00 0.00 C ATOM 834 C SER A 55 0.424 5.463 12.031 1.00 0.00 C ATOM 835 O SER A 55 0.424 4.259 12.288 1.00 0.00 O ATOM 836 CB SER A 55 1.826 7.291 13.007 1.00 0.00 C ATOM 837 OG SER A 55 0.602 7.990 13.150 1.00 0.00 O ATOM 0 H SER A 55 1.960 7.880 10.619 1.00 0.00 H new ATOM 0 HA SER A 55 2.561 5.536 12.007 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.087 6.811 13.950 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.625 7.995 12.776 1.00 0.00 H new ATOM 0 HG SER A 55 0.687 8.656 13.863 1.00 0.00 H new ATOM 843 N VAL A 56 -0.691 6.164 11.851 1.00 0.00 N ATOM 844 CA VAL A 56 -2.007 5.545 11.946 1.00 0.00 C ATOM 845 C VAL A 56 -2.279 4.644 10.746 1.00 0.00 C ATOM 846 O VAL A 56 -3.010 3.658 10.849 1.00 0.00 O ATOM 847 CB VAL A 56 -3.121 6.604 12.041 1.00 0.00 C ATOM 848 CG1 VAL A 56 -3.119 7.260 13.413 1.00 0.00 C ATOM 849 CG2 VAL A 56 -2.960 7.645 10.943 1.00 0.00 C ATOM 0 H VAL A 56 -0.709 7.161 11.638 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.008 4.945 12.856 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.082 6.109 11.903 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.913 8.005 13.461 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.286 6.502 14.179 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.157 7.743 13.584 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.755 8.386 11.025 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.993 8.137 11.047 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.016 7.158 9.969 1.00 0.00 H new ATOM 859 N LEU A 57 -1.685 4.988 9.609 1.00 0.00 N ATOM 860 CA LEU A 57 -1.862 4.210 8.387 1.00 0.00 C ATOM 861 C LEU A 57 -0.978 2.967 8.401 1.00 0.00 C ATOM 862 O LEU A 57 0.198 3.034 8.759 1.00 0.00 O ATOM 863 CB LEU A 57 -1.537 5.067 7.162 1.00 0.00 C ATOM 864 CG LEU A 57 -1.141 4.306 5.897 1.00 0.00 C ATOM 865 CD1 LEU A 57 -2.343 3.582 5.311 1.00 0.00 C ATOM 866 CD2 LEU A 57 -0.536 5.254 4.872 1.00 0.00 C ATOM 0 H LEU A 57 -1.077 5.800 9.507 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.903 3.893 8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.406 5.684 6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.725 5.745 7.423 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.390 3.563 6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.042 3.046 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.733 2.874 6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.117 4.307 5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.260 4.695 3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.266 6.020 4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.351 5.727 5.293 1.00 0.00 H new ATOM 878 N GLN A 58 -1.552 1.835 8.007 1.00 0.00 N ATOM 879 CA GLN A 58 -0.815 0.577 7.972 1.00 0.00 C ATOM 880 C GLN A 58 -1.151 -0.216 6.714 1.00 0.00 C ATOM 881 O GLN A 58 -2.146 0.059 6.043 1.00 0.00 O ATOM 882 CB GLN A 58 -1.131 -0.257 9.215 1.00 0.00 C ATOM 883 CG GLN A 58 -0.707 0.405 10.516 1.00 0.00 C ATOM 884 CD GLN A 58 0.779 0.267 10.784 1.00 0.00 C ATOM 885 OE1 GLN A 58 1.604 0.879 10.104 1.00 0.00 O ATOM 886 NE2 GLN A 58 1.129 -0.539 11.779 1.00 0.00 N ATOM 0 H GLN A 58 -2.524 1.763 7.708 1.00 0.00 H new ATOM 0 HA GLN A 58 0.250 0.809 7.959 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.203 -0.452 9.249 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.634 -1.223 9.130 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.970 1.462 10.484 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.264 -0.037 11.342 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.412 -1.027 12.317 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.115 -0.671 12.006 1.00 0.00 H new ATOM 895 N ILE A 59 -0.315 -1.200 6.400 1.00 0.00 N ATOM 896 CA ILE A 59 -0.525 -2.034 5.223 1.00 0.00 C ATOM 897 C ILE A 59 -0.644 -3.505 5.605 1.00 0.00 C ATOM 898 O ILE A 59 0.150 -4.018 6.394 1.00 0.00 O ATOM 899 CB ILE A 59 0.621 -1.870 4.206 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.781 -0.399 3.818 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.361 -2.723 2.974 1.00 0.00 C ATOM 902 CD1 ILE A 59 2.066 -0.106 3.076 1.00 0.00 C ATOM 0 H ILE A 59 0.514 -1.439 6.944 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.457 -1.704 4.765 1.00 0.00 H new ATOM 0 HB ILE A 59 1.549 -2.207 4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.064 -0.102 3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.744 0.212 4.720 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.179 -2.597 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.292 -3.771 3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.574 -2.413 2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.112 0.956 2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.917 -0.372 3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.097 -0.690 2.156 1.00 0.00 H new ATOM 914 N ARG A 60 -1.640 -4.179 5.039 1.00 0.00 N ATOM 915 CA ARG A 60 -1.863 -5.592 5.320 1.00 0.00 C ATOM 916 C ARG A 60 -1.596 -6.441 4.080 1.00 0.00 C ATOM 917 O ARG A 60 -2.120 -6.164 3.001 1.00 0.00 O ATOM 918 CB ARG A 60 -3.295 -5.817 5.807 1.00 0.00 C ATOM 919 CG ARG A 60 -3.517 -7.184 6.435 1.00 0.00 C ATOM 920 CD ARG A 60 -4.982 -7.409 6.775 1.00 0.00 C ATOM 921 NE ARG A 60 -5.149 -8.360 7.871 1.00 0.00 N ATOM 922 CZ ARG A 60 -6.332 -8.741 8.339 1.00 0.00 C ATOM 923 NH1 ARG A 60 -7.446 -8.255 7.809 1.00 0.00 N ATOM 924 NH2 ARG A 60 -6.403 -9.611 9.339 1.00 0.00 N ATOM 0 H ARG A 60 -2.305 -3.769 4.383 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.169 -5.895 6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.547 -5.047 6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.979 -5.697 4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.178 -7.960 5.749 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.915 -7.273 7.339 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.441 -6.459 7.046 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.507 -7.776 5.893 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.311 -8.753 8.300 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.396 -7.587 7.040 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.353 -8.549 8.170 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.548 -9.988 9.749 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.312 -9.903 9.698 1.00 0.00 H new ATOM 938 N TYR A 61 -0.778 -7.475 4.243 1.00 0.00 N ATOM 939 CA TYR A 61 -0.439 -8.363 3.137 1.00 0.00 C ATOM 940 C TYR A 61 -0.640 -9.824 3.530 1.00 0.00 C ATOM 941 O TYR A 61 -0.138 -10.276 4.559 1.00 0.00 O ATOM 942 CB TYR A 61 1.008 -8.136 2.697 1.00 0.00 C ATOM 943 CG TYR A 61 1.529 -9.197 1.755 1.00 0.00 C ATOM 944 CD1 TYR A 61 1.119 -9.237 0.428 1.00 0.00 C ATOM 945 CD2 TYR A 61 2.431 -10.159 2.192 1.00 0.00 C ATOM 946 CE1 TYR A 61 1.592 -10.206 -0.436 1.00 0.00 C ATOM 947 CE2 TYR A 61 2.910 -11.131 1.334 1.00 0.00 C ATOM 948 CZ TYR A 61 2.487 -11.150 0.021 1.00 0.00 C ATOM 949 OH TYR A 61 2.962 -12.116 -0.837 1.00 0.00 O ATOM 0 H TYR A 61 -0.337 -7.719 5.130 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.104 -8.134 2.304 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.083 -7.163 2.211 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.646 -8.101 3.580 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.419 -8.499 0.066 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.764 -10.147 3.219 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.262 -10.224 -1.464 1.00 0.00 H new ATOM 0 HE2 TYR A 61 3.611 -11.871 1.689 1.00 0.00 H new ATOM 0 HH TYR A 61 3.584 -12.702 -0.358 1.00 0.00 H new ATOM 959 N SER A 62 -1.377 -10.557 2.701 1.00 0.00 N ATOM 960 CA SER A 62 -1.647 -11.965 2.962 1.00 0.00 C ATOM 961 C SER A 62 -2.344 -12.145 4.307 1.00 0.00 C ATOM 962 O SER A 62 -2.260 -13.204 4.927 1.00 0.00 O ATOM 963 CB SER A 62 -0.346 -12.769 2.938 1.00 0.00 C ATOM 964 OG SER A 62 -0.601 -14.146 2.714 1.00 0.00 O ATOM 0 H SER A 62 -1.797 -10.199 1.843 1.00 0.00 H new ATOM 0 HA SER A 62 -2.308 -12.333 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.308 -12.385 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.181 -12.643 3.884 1.00 0.00 H new ATOM 0 HG SER A 62 -1.284 -14.459 3.343 1.00 0.00 H new ATOM 970 N GLY A 63 -3.034 -11.099 4.754 1.00 0.00 N ATOM 971 CA GLY A 63 -3.736 -11.160 6.023 1.00 0.00 C ATOM 972 C GLY A 63 -2.862 -10.742 7.189 1.00 0.00 C ATOM 973 O GLY A 63 -3.355 -10.517 8.294 1.00 0.00 O ATOM 0 H GLY A 63 -3.119 -10.211 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.613 -10.515 5.981 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.095 -12.176 6.188 1.00 0.00 H new ATOM 977 N LYS A 64 -1.561 -10.638 6.944 1.00 0.00 N ATOM 978 CA LYS A 64 -0.615 -10.245 7.982 1.00 0.00 C ATOM 979 C LYS A 64 -0.379 -8.738 7.960 1.00 0.00 C ATOM 980 O LYS A 64 -0.712 -8.063 6.985 1.00 0.00 O ATOM 981 CB LYS A 64 0.713 -10.982 7.797 1.00 0.00 C ATOM 982 CG LYS A 64 1.707 -10.236 6.924 1.00 0.00 C ATOM 983 CD LYS A 64 2.618 -11.192 6.173 1.00 0.00 C ATOM 984 CE LYS A 64 3.343 -12.134 7.124 1.00 0.00 C ATOM 985 NZ LYS A 64 4.386 -12.934 6.424 1.00 0.00 N ATOM 0 H LYS A 64 -1.137 -10.821 6.035 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.042 -10.515 8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.161 -11.157 8.775 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.518 -11.960 7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.169 -9.610 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.308 -9.570 7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.031 -11.773 5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.347 -10.624 5.596 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.805 -11.557 7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.622 -12.806 7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.665 -13.738 7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.006 -13.287 5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.216 -12.336 6.239 1.00 0.00 H new ATOM 999 N ILE A 65 0.198 -8.218 9.038 1.00 0.00 N ATOM 1000 CA ILE A 65 0.480 -6.792 9.140 1.00 0.00 C ATOM 1001 C ILE A 65 1.962 -6.508 8.917 1.00 0.00 C ATOM 1002 O ILE A 65 2.798 -6.810 9.769 1.00 0.00 O ATOM 1003 CB ILE A 65 0.062 -6.232 10.513 1.00 0.00 C ATOM 1004 CG1 ILE A 65 -1.347 -6.706 10.873 1.00 0.00 C ATOM 1005 CG2 ILE A 65 0.131 -4.712 10.508 1.00 0.00 C ATOM 1006 CD1 ILE A 65 -2.442 -5.941 10.164 1.00 0.00 C ATOM 0 H ILE A 65 0.479 -8.763 9.853 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.103 -6.298 8.363 1.00 0.00 H new ATOM 0 HB ILE A 65 0.754 -6.605 11.268 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.439 -7.765 10.630 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.489 -6.613 11.950 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.167 -4.331 11.485 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.151 -4.395 10.291 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.541 -4.320 9.745 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.414 -6.331 10.467 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.377 -4.885 10.427 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.326 -6.055 9.086 1.00 0.00 H new ATOM 1018 N LEU A 66 2.280 -5.923 7.767 1.00 0.00 N ATOM 1019 CA LEU A 66 3.661 -5.595 7.432 1.00 0.00 C ATOM 1020 C LEU A 66 4.128 -4.360 8.195 1.00 0.00 C ATOM 1021 O LEU A 66 3.352 -3.732 8.916 1.00 0.00 O ATOM 1022 CB LEU A 66 3.800 -5.362 5.927 1.00 0.00 C ATOM 1023 CG LEU A 66 3.193 -6.435 5.022 1.00 0.00 C ATOM 1024 CD1 LEU A 66 3.875 -6.436 3.663 1.00 0.00 C ATOM 1025 CD2 LEU A 66 3.300 -7.805 5.675 1.00 0.00 C ATOM 0 H LEU A 66 1.600 -5.666 7.051 1.00 0.00 H new ATOM 0 HA LEU A 66 4.289 -6.437 7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.337 -4.406 5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.860 -5.273 5.690 1.00 0.00 H new ATOM 0 HG LEU A 66 2.138 -6.205 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.430 -7.206 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.747 -5.462 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.938 -6.641 3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.863 -8.557 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.349 -8.043 5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.765 -7.798 6.624 1.00 0.00 H new ATOM 1037 N LYS A 67 5.400 -4.014 8.030 1.00 0.00 N ATOM 1038 CA LYS A 67 5.971 -2.852 8.699 1.00 0.00 C ATOM 1039 C LYS A 67 6.707 -1.959 7.706 1.00 0.00 C ATOM 1040 O LYS A 67 6.966 -2.358 6.571 1.00 0.00 O ATOM 1041 CB LYS A 67 6.928 -3.295 9.808 1.00 0.00 C ATOM 1042 CG LYS A 67 6.227 -3.917 11.004 1.00 0.00 C ATOM 1043 CD LYS A 67 7.143 -4.867 11.756 1.00 0.00 C ATOM 1044 CE LYS A 67 6.351 -5.891 12.554 1.00 0.00 C ATOM 1045 NZ LYS A 67 7.141 -7.127 12.810 1.00 0.00 N ATOM 0 H LYS A 67 6.056 -4.523 7.437 1.00 0.00 H new ATOM 0 HA LYS A 67 5.154 -2.280 9.139 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.637 -4.014 9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.506 -2.434 10.144 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.886 -3.130 11.677 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.341 -4.455 10.668 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.795 -5.380 11.050 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.786 -4.298 12.428 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.044 -5.453 13.504 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.440 -6.148 12.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.566 -7.800 13.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.412 -7.560 11.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.997 -6.886 13.349 1.00 0.00 H new ATOM 1059 N ASN A 68 7.043 -0.749 8.141 1.00 0.00 N ATOM 1060 CA ASN A 68 7.751 0.200 7.289 1.00 0.00 C ATOM 1061 C ASN A 68 9.151 -0.306 6.956 1.00 0.00 C ATOM 1062 O ASN A 68 9.717 0.040 5.920 1.00 0.00 O ATOM 1063 CB ASN A 68 7.840 1.565 7.975 1.00 0.00 C ATOM 1064 CG ASN A 68 7.897 1.450 9.486 1.00 0.00 C ATOM 1065 OD1 ASN A 68 6.895 1.148 10.135 1.00 0.00 O ATOM 1066 ND2 ASN A 68 9.072 1.691 10.054 1.00 0.00 N ATOM 0 H ASN A 68 6.837 -0.402 9.078 1.00 0.00 H new ATOM 0 HA ASN A 68 7.191 0.303 6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.727 2.090 7.620 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.977 2.168 7.692 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.171 1.629 11.067 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.876 1.938 9.477 1.00 0.00 H new ATOM 1073 N ASN A 69 9.703 -1.128 7.842 1.00 0.00 N ATOM 1074 CA ASN A 69 11.037 -1.683 7.643 1.00 0.00 C ATOM 1075 C ASN A 69 10.981 -2.937 6.777 1.00 0.00 C ATOM 1076 O ASN A 69 11.954 -3.288 6.111 1.00 0.00 O ATOM 1077 CB ASN A 69 11.684 -2.009 8.991 1.00 0.00 C ATOM 1078 CG ASN A 69 13.198 -1.948 8.935 1.00 0.00 C ATOM 1079 OD1 ASN A 69 13.818 -2.465 8.006 1.00 0.00 O ATOM 1080 ND2 ASN A 69 13.801 -1.314 9.934 1.00 0.00 N ATOM 0 H ASN A 69 9.247 -1.425 8.705 1.00 0.00 H new ATOM 0 HA ASN A 69 11.641 -0.935 7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.322 -1.308 9.743 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.375 -3.005 9.308 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.818 -1.241 9.952 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.247 -0.900 10.684 1.00 0.00 H new ATOM 1087 N GLU A 70 9.833 -3.609 6.791 1.00 0.00 N ATOM 1088 CA GLU A 70 9.650 -4.825 6.007 1.00 0.00 C ATOM 1089 C GLU A 70 9.790 -4.536 4.515 1.00 0.00 C ATOM 1090 O GLU A 70 9.153 -3.626 3.984 1.00 0.00 O ATOM 1091 CB GLU A 70 8.279 -5.440 6.292 1.00 0.00 C ATOM 1092 CG GLU A 70 8.193 -6.139 7.639 1.00 0.00 C ATOM 1093 CD GLU A 70 8.681 -7.573 7.584 1.00 0.00 C ATOM 1094 OE1 GLU A 70 9.663 -7.840 6.861 1.00 0.00 O ATOM 1095 OE2 GLU A 70 8.079 -8.430 8.265 1.00 0.00 O ATOM 0 H GLU A 70 9.017 -3.332 7.336 1.00 0.00 H new ATOM 0 HA GLU A 70 10.425 -5.534 6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.523 -4.656 6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.040 -6.155 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.784 -5.586 8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.160 -6.124 7.987 1.00 0.00 H new ATOM 1102 N THR A 71 10.630 -5.318 3.843 1.00 0.00 N ATOM 1103 CA THR A 71 10.856 -5.146 2.414 1.00 0.00 C ATOM 1104 C THR A 71 10.125 -6.215 1.609 1.00 0.00 C ATOM 1105 O THR A 71 9.919 -7.332 2.085 1.00 0.00 O ATOM 1106 CB THR A 71 12.357 -5.199 2.072 1.00 0.00 C ATOM 1107 OG1 THR A 71 13.124 -4.646 3.147 1.00 0.00 O ATOM 1108 CG2 THR A 71 12.647 -4.434 0.789 1.00 0.00 C ATOM 0 H THR A 71 11.165 -6.077 4.266 1.00 0.00 H new ATOM 0 HA THR A 71 10.465 -4.164 2.148 1.00 0.00 H new ATOM 0 HB THR A 71 12.637 -6.242 1.925 1.00 0.00 H new ATOM 0 HG1 THR A 71 14.077 -4.685 2.923 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.713 -4.485 0.568 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.084 -4.876 -0.033 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.352 -3.392 0.912 1.00 0.00 H new ATOM 1116 N LEU A 72 9.736 -5.867 0.388 1.00 0.00 N ATOM 1117 CA LEU A 72 9.028 -6.798 -0.484 1.00 0.00 C ATOM 1118 C LEU A 72 9.810 -8.098 -0.643 1.00 0.00 C ATOM 1119 O LEU A 72 9.254 -9.189 -0.516 1.00 0.00 O ATOM 1120 CB LEU A 72 8.789 -6.162 -1.855 1.00 0.00 C ATOM 1121 CG LEU A 72 7.481 -5.387 -2.017 1.00 0.00 C ATOM 1122 CD1 LEU A 72 6.290 -6.332 -1.962 1.00 0.00 C ATOM 1123 CD2 LEU A 72 7.361 -4.313 -0.945 1.00 0.00 C ATOM 0 H LEU A 72 9.899 -4.947 -0.021 1.00 0.00 H new ATOM 0 HA LEU A 72 8.067 -7.028 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.617 -5.486 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.817 -6.949 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 72 7.488 -4.900 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.368 -5.763 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.369 -7.064 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.279 -6.848 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.424 -3.771 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.376 -4.779 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.197 -3.618 -1.031 1.00 0.00 H new ATOM 1135 N VAL A 73 11.104 -7.973 -0.919 1.00 0.00 N ATOM 1136 CA VAL A 73 11.965 -9.138 -1.091 1.00 0.00 C ATOM 1137 C VAL A 73 12.123 -9.902 0.218 1.00 0.00 C ATOM 1138 O VAL A 73 12.329 -11.116 0.218 1.00 0.00 O ATOM 1139 CB VAL A 73 13.358 -8.734 -1.610 1.00 0.00 C ATOM 1140 CG1 VAL A 73 13.318 -8.485 -3.110 1.00 0.00 C ATOM 1141 CG2 VAL A 73 13.866 -7.506 -0.870 1.00 0.00 C ATOM 0 H VAL A 73 11.579 -7.077 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 73 11.484 -9.782 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 73 14.049 -9.555 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.311 -8.201 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 73 13.001 -9.394 -3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.614 -7.682 -3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 73 14.851 -7.234 -1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 73 13.176 -6.676 -1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 73 13.935 -7.726 0.195 1.00 0.00 H new ATOM 1151 N GLN A 74 12.026 -9.184 1.332 1.00 0.00 N ATOM 1152 CA GLN A 74 12.159 -9.796 2.649 1.00 0.00 C ATOM 1153 C GLN A 74 11.011 -10.762 2.919 1.00 0.00 C ATOM 1154 O GLN A 74 11.157 -11.719 3.680 1.00 0.00 O ATOM 1155 CB GLN A 74 12.200 -8.718 3.733 1.00 0.00 C ATOM 1156 CG GLN A 74 13.594 -8.169 3.993 1.00 0.00 C ATOM 1157 CD GLN A 74 14.588 -9.252 4.362 1.00 0.00 C ATOM 1158 OE1 GLN A 74 14.206 -10.362 4.734 1.00 0.00 O ATOM 1159 NE2 GLN A 74 15.874 -8.934 4.261 1.00 0.00 N ATOM 0 H GLN A 74 11.856 -8.178 1.349 1.00 0.00 H new ATOM 0 HA GLN A 74 13.093 -10.357 2.669 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.544 -7.898 3.443 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.803 -9.131 4.660 1.00 0.00 H new ATOM 0 HG2 GLN A 74 13.946 -7.646 3.104 1.00 0.00 H new ATOM 0 HG3 GLN A 74 13.547 -7.435 4.797 1.00 0.00 H new ATOM 0 HE21 GLN A 74 16.146 -8.002 3.948 1.00 0.00 H new ATOM 0 HE22 GLN A 74 16.589 -9.622 4.496 1.00 0.00 H new ATOM 1168 N HIS A 75 9.868 -10.506 2.290 1.00 0.00 N ATOM 1169 CA HIS A 75 8.694 -11.354 2.462 1.00 0.00 C ATOM 1170 C HIS A 75 8.641 -12.434 1.386 1.00 0.00 C ATOM 1171 O HIS A 75 7.942 -13.436 1.531 1.00 0.00 O ATOM 1172 CB HIS A 75 7.419 -10.511 2.419 1.00 0.00 C ATOM 1173 CG HIS A 75 7.125 -9.803 3.706 1.00 0.00 C ATOM 1174 ND1 HIS A 75 6.582 -10.434 4.805 1.00 0.00 N ATOM 1175 CD2 HIS A 75 7.303 -8.511 4.066 1.00 0.00 C ATOM 1176 CE1 HIS A 75 6.438 -9.560 5.785 1.00 0.00 C ATOM 1177 NE2 HIS A 75 6.868 -8.385 5.362 1.00 0.00 N ATOM 0 H HIS A 75 9.730 -9.718 1.657 1.00 0.00 H new ATOM 0 HA HIS A 75 8.767 -11.840 3.435 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.507 -9.774 1.621 1.00 0.00 H new ATOM 0 HB3 HIS A 75 6.576 -11.155 2.167 1.00 0.00 H new ATOM 0 HD1 HIS A 75 6.331 -11.421 4.854 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.711 -7.725 3.448 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.037 -9.770 6.765 1.00 0.00 H new ATOM 1186 N GLY A 76 9.384 -12.221 0.303 1.00 0.00 N ATOM 1187 CA GLY A 76 9.406 -13.184 -0.782 1.00 0.00 C ATOM 1188 C GLY A 76 8.662 -12.693 -2.008 1.00 0.00 C ATOM 1189 O GLY A 76 7.736 -13.348 -2.486 1.00 0.00 O ATOM 0 H GLY A 76 9.970 -11.399 0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.440 -13.400 -1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.962 -14.120 -0.442 1.00 0.00 H new ATOM 1193 N VAL A 77 9.066 -11.534 -2.519 1.00 0.00 N ATOM 1194 CA VAL A 77 8.432 -10.954 -3.697 1.00 0.00 C ATOM 1195 C VAL A 77 9.454 -10.685 -4.795 1.00 0.00 C ATOM 1196 O VAL A 77 10.416 -9.943 -4.596 1.00 0.00 O ATOM 1197 CB VAL A 77 7.705 -9.640 -3.353 1.00 0.00 C ATOM 1198 CG1 VAL A 77 7.111 -9.015 -4.606 1.00 0.00 C ATOM 1199 CG2 VAL A 77 6.628 -9.885 -2.308 1.00 0.00 C ATOM 0 H VAL A 77 9.830 -10.978 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 77 7.703 -11.681 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 77 8.431 -8.942 -2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.601 -8.088 -4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.907 -8.802 -5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.398 -9.707 -5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.125 -8.946 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.902 -10.600 -2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.084 -10.285 -1.402 1.00 0.00 H new ATOM 1209 N LYS A 78 9.239 -11.293 -5.957 1.00 0.00 N ATOM 1210 CA LYS A 78 10.140 -11.118 -7.090 1.00 0.00 C ATOM 1211 C LYS A 78 9.644 -10.009 -8.014 1.00 0.00 C ATOM 1212 O LYS A 78 8.459 -9.676 -8.043 1.00 0.00 O ATOM 1213 CB LYS A 78 10.269 -12.427 -7.872 1.00 0.00 C ATOM 1214 CG LYS A 78 9.281 -12.551 -9.019 1.00 0.00 C ATOM 1215 CD LYS A 78 8.917 -14.002 -9.288 1.00 0.00 C ATOM 1216 CE LYS A 78 7.709 -14.435 -8.471 1.00 0.00 C ATOM 1217 NZ LYS A 78 6.431 -14.157 -9.182 1.00 0.00 N ATOM 0 H LYS A 78 8.448 -11.911 -6.139 1.00 0.00 H new ATOM 0 HA LYS A 78 11.119 -10.834 -6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.282 -12.506 -8.266 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.126 -13.264 -7.189 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.379 -11.986 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.710 -12.110 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.706 -14.134 -10.349 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.767 -14.642 -9.050 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.780 -15.501 -8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.713 -13.914 -7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.692 -13.922 -8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.563 -13.356 -9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.144 -14.998 -9.722 1.00 0.00 H new ATOM 1231 N PRO A 79 10.570 -9.425 -8.788 1.00 0.00 N ATOM 1232 CA PRO A 79 10.250 -8.346 -9.728 1.00 0.00 C ATOM 1233 C PRO A 79 9.427 -8.837 -10.914 1.00 0.00 C ATOM 1234 O PRO A 79 9.430 -10.025 -11.233 1.00 0.00 O ATOM 1235 CB PRO A 79 11.626 -7.863 -10.194 1.00 0.00 C ATOM 1236 CG PRO A 79 12.523 -9.037 -10.009 1.00 0.00 C ATOM 1237 CD PRO A 79 12.001 -9.771 -8.805 1.00 0.00 C ATOM 0 HA PRO A 79 9.644 -7.567 -9.265 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.601 -7.544 -11.236 1.00 0.00 H new ATOM 0 HB3 PRO A 79 11.965 -7.009 -9.607 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.514 -9.678 -10.891 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.554 -8.720 -9.856 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.153 -10.847 -8.893 1.00 0.00 H new ATOM 0 HD3 PRO A 79 12.502 -9.452 -7.891 1.00 0.00 H new ATOM 1245 N GLN A 80 8.725 -7.914 -11.563 1.00 0.00 N ATOM 1246 CA GLN A 80 7.898 -8.254 -12.715 1.00 0.00 C ATOM 1247 C GLN A 80 6.767 -9.195 -12.313 1.00 0.00 C ATOM 1248 O GLN A 80 6.280 -9.978 -13.128 1.00 0.00 O ATOM 1249 CB GLN A 80 8.750 -8.898 -13.809 1.00 0.00 C ATOM 1250 CG GLN A 80 10.056 -8.167 -14.074 1.00 0.00 C ATOM 1251 CD GLN A 80 9.895 -7.023 -15.056 1.00 0.00 C ATOM 1252 OE1 GLN A 80 10.314 -7.117 -16.210 1.00 0.00 O ATOM 1253 NE2 GLN A 80 9.286 -5.934 -14.603 1.00 0.00 N ATOM 0 H GLN A 80 8.712 -6.926 -11.311 1.00 0.00 H new ATOM 0 HA GLN A 80 7.460 -7.334 -13.101 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.971 -9.928 -13.527 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.172 -8.937 -14.732 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.449 -7.781 -13.134 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.791 -8.873 -14.461 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.954 -5.899 -13.639 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.150 -5.132 -15.219 1.00 0.00 H new ATOM 1262 N GLU A 81 6.355 -9.114 -11.052 1.00 0.00 N ATOM 1263 CA GLU A 81 5.282 -9.960 -10.543 1.00 0.00 C ATOM 1264 C GLU A 81 4.068 -9.123 -10.152 1.00 0.00 C ATOM 1265 O GLU A 81 4.141 -7.895 -10.089 1.00 0.00 O ATOM 1266 CB GLU A 81 5.768 -10.768 -9.338 1.00 0.00 C ATOM 1267 CG GLU A 81 5.575 -10.056 -8.010 1.00 0.00 C ATOM 1268 CD GLU A 81 5.887 -10.944 -6.821 1.00 0.00 C ATOM 1269 OE1 GLU A 81 6.871 -11.709 -6.893 1.00 0.00 O ATOM 1270 OE2 GLU A 81 5.147 -10.873 -5.817 1.00 0.00 O ATOM 0 H GLU A 81 6.748 -8.471 -10.364 1.00 0.00 H new ATOM 0 HA GLU A 81 4.988 -10.646 -11.337 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.237 -11.719 -9.311 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.826 -10.997 -9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.215 -9.174 -7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.546 -9.705 -7.936 1.00 0.00 H new ATOM 1277 N ILE A 82 2.952 -9.796 -9.890 1.00 0.00 N ATOM 1278 CA ILE A 82 1.723 -9.115 -9.505 1.00 0.00 C ATOM 1279 C ILE A 82 1.250 -9.570 -8.128 1.00 0.00 C ATOM 1280 O ILE A 82 1.202 -10.766 -7.841 1.00 0.00 O ATOM 1281 CB ILE A 82 0.598 -9.361 -10.528 1.00 0.00 C ATOM 1282 CG1 ILE A 82 1.028 -8.881 -11.916 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -0.679 -8.660 -10.091 1.00 0.00 C ATOM 1284 CD1 ILE A 82 0.182 -9.441 -13.038 1.00 0.00 C ATOM 0 H ILE A 82 2.874 -10.812 -9.938 1.00 0.00 H new ATOM 0 HA ILE A 82 1.950 -8.049 -9.475 1.00 0.00 H new ATOM 0 HB ILE A 82 0.401 -10.432 -10.579 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.982 -7.792 -11.946 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.068 -9.160 -12.082 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.464 -8.844 -10.824 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.992 -9.045 -9.121 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.498 -7.588 -10.014 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.544 -9.058 -13.992 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.248 -10.529 -13.035 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.856 -9.140 -12.896 1.00 0.00 H new ATOM 1296 N VAL A 83 0.901 -8.608 -7.280 1.00 0.00 N ATOM 1297 CA VAL A 83 0.429 -8.909 -5.934 1.00 0.00 C ATOM 1298 C VAL A 83 -0.812 -8.093 -5.591 1.00 0.00 C ATOM 1299 O VAL A 83 -1.295 -7.308 -6.407 1.00 0.00 O ATOM 1300 CB VAL A 83 1.519 -8.632 -4.882 1.00 0.00 C ATOM 1301 CG1 VAL A 83 2.820 -9.320 -5.267 1.00 0.00 C ATOM 1302 CG2 VAL A 83 1.728 -7.134 -4.714 1.00 0.00 C ATOM 0 H VAL A 83 0.936 -7.613 -7.502 1.00 0.00 H new ATOM 0 HA VAL A 83 0.179 -9.970 -5.917 1.00 0.00 H new ATOM 0 HB VAL A 83 1.189 -9.040 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.578 -9.113 -4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.657 -10.396 -5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.158 -8.945 -6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.502 -6.956 -3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.036 -6.701 -5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.796 -6.671 -4.389 1.00 0.00 H new ATOM 1312 N GLN A 84 -1.323 -8.284 -4.379 1.00 0.00 N ATOM 1313 CA GLN A 84 -2.509 -7.565 -3.929 1.00 0.00 C ATOM 1314 C GLN A 84 -2.387 -7.182 -2.457 1.00 0.00 C ATOM 1315 O GLN A 84 -2.301 -8.047 -1.585 1.00 0.00 O ATOM 1316 CB GLN A 84 -3.760 -8.418 -4.144 1.00 0.00 C ATOM 1317 CG GLN A 84 -5.058 -7.635 -4.024 1.00 0.00 C ATOM 1318 CD GLN A 84 -6.285 -8.508 -4.200 1.00 0.00 C ATOM 1319 OE1 GLN A 84 -6.180 -9.729 -4.321 1.00 0.00 O ATOM 1320 NE2 GLN A 84 -7.457 -7.885 -4.215 1.00 0.00 N ATOM 0 H GLN A 84 -0.935 -8.930 -3.692 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.595 -6.652 -4.518 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.712 -8.876 -5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.766 -9.229 -3.416 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.098 -7.152 -3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -5.070 -6.843 -4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -7.497 -6.871 -4.111 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.318 -8.420 -4.330 1.00 0.00 H new ATOM 1329 N VAL A 85 -2.380 -5.881 -2.188 1.00 0.00 N ATOM 1330 CA VAL A 85 -2.269 -5.383 -0.822 1.00 0.00 C ATOM 1331 C VAL A 85 -3.441 -4.472 -0.472 1.00 0.00 C ATOM 1332 O VAL A 85 -4.087 -3.910 -1.356 1.00 0.00 O ATOM 1333 CB VAL A 85 -0.953 -4.612 -0.610 1.00 0.00 C ATOM 1334 CG1 VAL A 85 0.239 -5.552 -0.711 1.00 0.00 C ATOM 1335 CG2 VAL A 85 -0.834 -3.476 -1.616 1.00 0.00 C ATOM 0 H VAL A 85 -2.450 -5.152 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.281 -6.254 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.961 -4.181 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.160 -4.989 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.157 -6.327 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.255 -6.014 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.102 -2.941 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.847 -3.883 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.671 -2.789 -1.490 1.00 0.00 H new ATOM 1345 N GLU A 86 -3.708 -4.332 0.822 1.00 0.00 N ATOM 1346 CA GLU A 86 -4.803 -3.489 1.288 1.00 0.00 C ATOM 1347 C GLU A 86 -4.289 -2.393 2.217 1.00 0.00 C ATOM 1348 O GLU A 86 -3.403 -2.627 3.040 1.00 0.00 O ATOM 1349 CB GLU A 86 -5.854 -4.334 2.011 1.00 0.00 C ATOM 1350 CG GLU A 86 -6.757 -5.116 1.073 1.00 0.00 C ATOM 1351 CD GLU A 86 -6.061 -6.314 0.456 1.00 0.00 C ATOM 1352 OE1 GLU A 86 -5.833 -7.305 1.182 1.00 0.00 O ATOM 1353 OE2 GLU A 86 -5.743 -6.260 -0.750 1.00 0.00 O ATOM 0 H GLU A 86 -3.182 -4.791 1.566 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.261 -3.018 0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.350 -5.031 2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.468 -3.682 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.637 -5.454 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.109 -4.457 0.280 1.00 0.00 H new ATOM 1360 N ILE A 87 -4.850 -1.197 2.078 1.00 0.00 N ATOM 1361 CA ILE A 87 -4.449 -0.065 2.905 1.00 0.00 C ATOM 1362 C ILE A 87 -5.613 0.437 3.752 1.00 0.00 C ATOM 1363 O ILE A 87 -6.729 0.601 3.258 1.00 0.00 O ATOM 1364 CB ILE A 87 -3.914 1.097 2.047 1.00 0.00 C ATOM 1365 CG1 ILE A 87 -2.512 0.774 1.528 1.00 0.00 C ATOM 1366 CG2 ILE A 87 -3.902 2.388 2.852 1.00 0.00 C ATOM 1367 CD1 ILE A 87 -1.928 1.858 0.650 1.00 0.00 C ATOM 0 H ILE A 87 -5.583 -0.986 1.401 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.653 -0.419 3.560 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.576 1.231 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.848 0.608 2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.548 -0.158 0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.521 3.200 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.915 2.624 3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -3.260 2.267 3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.933 1.561 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.570 2.008 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.860 2.787 1.216 1.00 0.00 H new ATOM 1379 N PHE A 88 -5.345 0.682 5.030 1.00 0.00 N ATOM 1380 CA PHE A 88 -6.370 1.167 5.947 1.00 0.00 C ATOM 1381 C PHE A 88 -5.747 1.972 7.083 1.00 0.00 C ATOM 1382 O PHE A 88 -4.531 1.958 7.275 1.00 0.00 O ATOM 1383 CB PHE A 88 -7.170 -0.006 6.518 1.00 0.00 C ATOM 1384 CG PHE A 88 -6.419 -0.799 7.549 1.00 0.00 C ATOM 1385 CD1 PHE A 88 -6.198 -0.281 8.815 1.00 0.00 C ATOM 1386 CD2 PHE A 88 -5.933 -2.063 7.252 1.00 0.00 C ATOM 1387 CE1 PHE A 88 -5.506 -1.008 9.765 1.00 0.00 C ATOM 1388 CE2 PHE A 88 -5.241 -2.795 8.199 1.00 0.00 C ATOM 1389 CZ PHE A 88 -5.028 -2.267 9.457 1.00 0.00 C ATOM 0 H PHE A 88 -4.427 0.553 5.454 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.042 1.819 5.389 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.090 0.374 6.963 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.460 -0.668 5.703 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.571 0.702 9.062 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.097 -2.481 6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.339 -0.592 10.748 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.867 -3.779 7.955 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.489 -2.837 10.199 1.00 0.00 H new ATOM 1399 N SER A 89 -6.589 2.675 7.834 1.00 0.00 N ATOM 1400 CA SER A 89 -6.121 3.491 8.948 1.00 0.00 C ATOM 1401 C SER A 89 -6.570 2.898 10.281 1.00 0.00 C ATOM 1402 O SER A 89 -7.754 2.634 10.490 1.00 0.00 O ATOM 1403 CB SER A 89 -6.642 4.923 8.813 1.00 0.00 C ATOM 1404 OG SER A 89 -5.765 5.845 9.438 1.00 0.00 O ATOM 0 H SER A 89 -7.599 2.696 7.691 1.00 0.00 H new ATOM 0 HA SER A 89 -5.031 3.505 8.924 1.00 0.00 H new ATOM 0 HB2 SER A 89 -6.750 5.176 7.758 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.633 4.997 9.262 1.00 0.00 H new ATOM 0 HG SER A 89 -5.689 6.651 8.885 1.00 0.00 H new ATOM 1410 N THR A 90 -5.614 2.692 11.181 1.00 0.00 N ATOM 1411 CA THR A 90 -5.908 2.130 12.494 1.00 0.00 C ATOM 1412 C THR A 90 -6.981 2.941 13.211 1.00 0.00 C ATOM 1413 O THR A 90 -7.875 2.381 13.845 1.00 0.00 O ATOM 1414 CB THR A 90 -4.647 2.074 13.376 1.00 0.00 C ATOM 1415 OG1 THR A 90 -4.093 3.387 13.522 1.00 0.00 O ATOM 1416 CG2 THR A 90 -3.606 1.142 12.775 1.00 0.00 C ATOM 0 H THR A 90 -4.629 2.906 11.025 1.00 0.00 H new ATOM 0 HA THR A 90 -6.272 1.116 12.330 1.00 0.00 H new ATOM 0 HB THR A 90 -4.932 1.689 14.355 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.751 3.696 12.657 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.725 1.119 13.416 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.021 0.137 12.693 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.325 1.500 11.785 1.00 0.00 H new ATOM 1424 N ASN A 91 -6.888 4.262 13.105 1.00 0.00 N ATOM 1425 CA ASN A 91 -7.852 5.150 13.744 1.00 0.00 C ATOM 1426 C ASN A 91 -8.478 6.097 12.725 1.00 0.00 C ATOM 1427 O ASN A 91 -8.020 7.222 12.522 1.00 0.00 O ATOM 1428 CB ASN A 91 -7.176 5.955 14.857 1.00 0.00 C ATOM 1429 CG ASN A 91 -8.139 6.324 15.969 1.00 0.00 C ATOM 1430 OD1 ASN A 91 -8.458 5.501 16.828 1.00 0.00 O ATOM 1431 ND2 ASN A 91 -8.606 7.567 15.959 1.00 0.00 N ATOM 0 H ASN A 91 -6.155 4.741 12.583 1.00 0.00 H new ATOM 0 HA ASN A 91 -8.642 4.536 14.177 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.351 5.375 15.272 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.747 6.864 14.435 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.256 7.873 16.683 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.314 8.215 15.228 1.00 0.00 H new ATOM 1438 N PRO A 92 -9.551 5.633 12.068 1.00 0.00 N ATOM 1439 CA PRO A 92 -10.265 6.423 11.059 1.00 0.00 C ATOM 1440 C PRO A 92 -11.024 7.594 11.672 1.00 0.00 C ATOM 1441 O PRO A 92 -11.482 8.490 10.961 1.00 0.00 O ATOM 1442 CB PRO A 92 -11.240 5.416 10.445 1.00 0.00 C ATOM 1443 CG PRO A 92 -11.452 4.396 11.510 1.00 0.00 C ATOM 1444 CD PRO A 92 -10.152 4.302 12.259 1.00 0.00 C ATOM 0 HA PRO A 92 -9.584 6.873 10.336 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.178 5.895 10.163 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.828 4.966 9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.265 4.689 12.175 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.724 3.433 11.079 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.311 4.081 13.314 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.515 3.512 11.861 1.00 0.00 H new ATOM 1452 N ASP A 93 -11.155 7.583 12.993 1.00 0.00 N ATOM 1453 CA ASP A 93 -11.859 8.646 13.702 1.00 0.00 C ATOM 1454 C ASP A 93 -11.018 9.918 13.745 1.00 0.00 C ATOM 1455 O ASP A 93 -11.552 11.025 13.833 1.00 0.00 O ATOM 1456 CB ASP A 93 -12.204 8.199 15.123 1.00 0.00 C ATOM 1457 CG ASP A 93 -12.977 6.895 15.148 1.00 0.00 C ATOM 1458 OD1 ASP A 93 -14.080 6.847 14.565 1.00 0.00 O ATOM 1459 OD2 ASP A 93 -12.478 5.922 15.751 1.00 0.00 O ATOM 0 H ASP A 93 -10.783 6.849 13.596 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.782 8.860 13.163 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.285 8.084 15.698 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.791 8.976 15.613 1.00 0.00 H new ATOM 1464 N LEU A 94 -9.701 9.754 13.685 1.00 0.00 N ATOM 1465 CA LEU A 94 -8.786 10.889 13.718 1.00 0.00 C ATOM 1466 C LEU A 94 -8.256 11.203 12.323 1.00 0.00 C ATOM 1467 O LEU A 94 -8.265 12.355 11.889 1.00 0.00 O ATOM 1468 CB LEU A 94 -7.620 10.602 14.666 1.00 0.00 C ATOM 1469 CG LEU A 94 -7.917 10.747 16.159 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -6.883 9.998 16.985 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -7.957 12.216 16.555 1.00 0.00 C ATOM 0 H LEU A 94 -9.243 8.845 13.613 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.337 11.757 14.081 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.271 9.586 14.483 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.799 11.272 14.413 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.896 10.311 16.359 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.111 10.113 18.045 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.904 8.940 16.722 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.892 10.403 16.781 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.170 12.300 17.621 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.993 12.677 16.340 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.737 12.724 15.988 1.00 0.00 H new ATOM 1483 N TYR A 95 -7.797 10.170 11.624 1.00 0.00 N ATOM 1484 CA TYR A 95 -7.264 10.336 10.277 1.00 0.00 C ATOM 1485 C TYR A 95 -7.861 9.305 9.324 1.00 0.00 C ATOM 1486 O TYR A 95 -7.254 8.278 9.020 1.00 0.00 O ATOM 1487 CB TYR A 95 -5.739 10.211 10.292 1.00 0.00 C ATOM 1488 CG TYR A 95 -5.066 11.119 11.296 1.00 0.00 C ATOM 1489 CD1 TYR A 95 -4.875 10.714 12.611 1.00 0.00 C ATOM 1490 CD2 TYR A 95 -4.621 12.384 10.928 1.00 0.00 C ATOM 1491 CE1 TYR A 95 -4.262 11.541 13.531 1.00 0.00 C ATOM 1492 CE2 TYR A 95 -4.005 13.217 11.842 1.00 0.00 C ATOM 1493 CZ TYR A 95 -3.828 12.792 13.142 1.00 0.00 C ATOM 1494 OH TYR A 95 -3.216 13.618 14.056 1.00 0.00 O ATOM 0 H TYR A 95 -7.783 9.210 11.968 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.538 11.330 9.924 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.470 9.178 10.512 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.355 10.436 9.297 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.212 9.735 12.919 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.759 12.721 9.911 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.123 11.211 14.550 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.664 14.196 11.540 1.00 0.00 H new ATOM 0 HH TYR A 95 -2.970 14.461 13.622 1.00 0.00 H new ATOM 1504 N PRO A 96 -9.080 9.584 8.841 1.00 0.00 N ATOM 1505 CA PRO A 96 -9.787 8.695 7.914 1.00 0.00 C ATOM 1506 C PRO A 96 -9.139 8.663 6.534 1.00 0.00 C ATOM 1507 O PRO A 96 -8.414 9.583 6.156 1.00 0.00 O ATOM 1508 CB PRO A 96 -11.187 9.308 7.833 1.00 0.00 C ATOM 1509 CG PRO A 96 -10.991 10.746 8.169 1.00 0.00 C ATOM 1510 CD PRO A 96 -9.862 10.790 9.161 1.00 0.00 C ATOM 0 HA PRO A 96 -9.779 7.660 8.256 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.614 9.189 6.837 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.871 8.828 8.533 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -10.750 11.326 7.278 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.899 11.175 8.592 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.266 11.696 9.052 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.228 10.771 10.188 1.00 0.00 H new ATOM 1518 N VAL A 97 -9.407 7.599 5.784 1.00 0.00 N ATOM 1519 CA VAL A 97 -8.851 7.448 4.445 1.00 0.00 C ATOM 1520 C VAL A 97 -9.852 7.887 3.382 1.00 0.00 C ATOM 1521 O VAL A 97 -10.934 7.313 3.259 1.00 0.00 O ATOM 1522 CB VAL A 97 -8.435 5.990 4.171 1.00 0.00 C ATOM 1523 CG1 VAL A 97 -7.677 5.889 2.856 1.00 0.00 C ATOM 1524 CG2 VAL A 97 -7.598 5.451 5.321 1.00 0.00 C ATOM 0 H VAL A 97 -10.006 6.829 6.081 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.968 8.086 4.395 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.336 5.382 4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.391 4.852 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.314 6.234 2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.782 6.509 2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.313 4.420 5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.701 6.060 5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.180 5.486 6.242 1.00 0.00 H new ATOM 1534 N ARG A 98 -9.483 8.908 2.615 1.00 0.00 N ATOM 1535 CA ARG A 98 -10.349 9.425 1.563 1.00 0.00 C ATOM 1536 C ARG A 98 -9.841 9.007 0.186 1.00 0.00 C ATOM 1537 O ARG A 98 -8.638 8.840 -0.018 1.00 0.00 O ATOM 1538 CB ARG A 98 -10.433 10.951 1.646 1.00 0.00 C ATOM 1539 CG ARG A 98 -9.090 11.644 1.488 1.00 0.00 C ATOM 1540 CD ARG A 98 -9.258 13.095 1.065 1.00 0.00 C ATOM 1541 NE ARG A 98 -9.609 13.956 2.191 1.00 0.00 N ATOM 1542 CZ ARG A 98 -9.947 15.234 2.061 1.00 0.00 C ATOM 1543 NH1 ARG A 98 -9.981 15.796 0.860 1.00 0.00 N ATOM 1544 NH2 ARG A 98 -10.254 15.953 3.133 1.00 0.00 N ATOM 0 H ARG A 98 -8.590 9.393 2.703 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.344 9.005 1.707 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.112 11.312 0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.866 11.231 2.606 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.543 11.599 2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.491 11.115 0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.332 13.450 0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.033 13.163 0.302 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.594 13.554 3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.747 15.247 0.033 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.241 16.778 0.763 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.231 15.524 4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.513 16.934 3.032 1.00 0.00 H new ATOM 1558 N ARG A 99 -10.765 8.840 -0.754 1.00 0.00 N ATOM 1559 CA ARG A 99 -10.410 8.439 -2.111 1.00 0.00 C ATOM 1560 C ARG A 99 -9.458 9.449 -2.744 1.00 0.00 C ATOM 1561 O ARG A 99 -9.331 10.579 -2.271 1.00 0.00 O ATOM 1562 CB ARG A 99 -11.669 8.300 -2.969 1.00 0.00 C ATOM 1563 CG ARG A 99 -11.549 7.248 -4.060 1.00 0.00 C ATOM 1564 CD ARG A 99 -12.884 6.999 -4.743 1.00 0.00 C ATOM 1565 NE ARG A 99 -13.180 8.011 -5.753 1.00 0.00 N ATOM 1566 CZ ARG A 99 -14.256 7.979 -6.532 1.00 0.00 C ATOM 1567 NH1 ARG A 99 -15.132 6.991 -6.418 1.00 0.00 N ATOM 1568 NH2 ARG A 99 -14.456 8.936 -7.429 1.00 0.00 N ATOM 0 H ARG A 99 -11.764 8.976 -0.602 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.906 7.474 -2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.512 8.049 -2.325 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.894 9.263 -3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.816 7.571 -4.799 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.180 6.317 -3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.874 6.014 -5.209 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.677 6.990 -3.996 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.525 8.785 -5.867 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.981 6.252 -5.731 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.957 6.969 -7.017 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.783 9.697 -7.521 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.282 8.910 -8.026 1.00 0.00 H new